Entering Gaussian System, Link 0=/usr/apps/chemistry/gaussian/G03/e01/g03/g03 Input=input.com Output=input.log Initial command: /usr/apps/chemistry/gaussian/G03/e01/g03/l1.exe /scratch/batch/332850/Gau-28879.inp -scrdir=/scratch/batch/332850/ Entering Link 1 = /usr/apps/chemistry/gaussian/G03/e01/g03/l1.exe PID= 28880. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2004,2007, Gaussian, Inc. All Rights Reserved. This is the Gaussian(R) 03 program. It is based on the the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 03, Revision E.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Wallingford CT, 2004. ****************************************** Gaussian 03: IA64L-G03RevE.01 11-Sep-2007 12-Apr-2008 ****************************************** %chk=Cu7CO05.chk %nproc=4 Will use up to 4 processors via shared memory. %mem=1200MW -------------------------------------------------------------- #P B3LYP/LANL2DZ Opt nosymm Pop=Full Freq(Raman) Geom=AllCheck -------------------------------------------------------------- 1/14=-1,18=20,26=3,29=7,38=1/1,3; 2/9=110,15=1,40=1/2; 3/5=6,6=3,11=2,16=1,25=1,30=1,74=-5/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=3,28=1/1; 7/30=1/1,2,3,16; 1/14=-1,18=20/3(3); 2/9=110,15=1/2; 6/7=3,19=2,28=1/1; 99//99; 2/9=110,15=1/2; 3/5=6,6=3,11=2,16=1,25=1,30=1,74=-5/1,2,3; 4/5=5,16=3/1; 5/5=2,38=5/2; 7/30=1/1,2,3,16; 1/14=-1,18=20/3(-5); 2/9=110,15=1/2; 6/7=3,19=2,28=1/1; 99/9=1/99; Leave Link 1 at Sat Apr 12 23:56:29 2008, MaxMem= 1258291200 cpu: 0.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l101.exe) ------- Cu7CO05 ------- Redundant internal coordinates taken from checkpoint file: Cu7CO05.chk Charge = 0 Multiplicity = 2 Cu,0,-1.1553951155,-0.8642612835,1.6312777032 Cu,0,-2.3016388368,0.0991926209,-0.3263744017 Cu,0,-0.8371489937,1.8423143752,-1.2884014744 Cu,0,1.2093603587,1.9585250706,0.0914054162 Cu,0,1.0120612433,0.2837602069,1.8898389908 Cu,0,0.2147292894,-0.3340654973,-0.4677506806 Cu,0,-1.0165371989,1.6177174058,1.2370385095 C,0,1.1337970487,-1.8050294818,-1.3122518766 O,0,1.7407721548,-2.7981534167,-1.4547821764 Recover connectivity data from disk. Isotopes and Nuclear Properties: (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) in nuclear magnetons) Atom 1 2 3 4 5 6 7 8 9 IAtWgt= 63 63 63 63 63 63 63 12 16 AtmWgt= 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 12.0000000 15.9949146 NucSpn= 3 3 3 3 3 3 3 0 0 AtZEff= -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -3.6000000 -5.6000000 NQMom= -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 0.0000000 0.0000000 NMagM= 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 0.0000000 0.0000000 Leave Link 101 at Sat Apr 12 23:56:30 2008, MaxMem= 1258291200 cpu: 0.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 2.4647 estimate D2E/DX2 ! ! R2 R(1,5) 2.4663 estimate D2E/DX2 ! ! R3 R(1,6) 2.5621 estimate D2E/DX2 ! ! R4 R(1,7) 2.5169 estimate D2E/DX2 ! ! R5 R(2,3) 2.4716 estimate D2E/DX2 ! ! R6 R(2,6) 2.5573 estimate D2E/DX2 ! ! R7 R(2,7) 2.5302 estimate D2E/DX2 ! ! R8 R(3,4) 2.4709 estimate D2E/DX2 ! ! R9 R(3,6) 2.5528 estimate D2E/DX2 ! ! R10 R(3,7) 2.5417 estimate D2E/DX2 ! ! R11 R(4,5) 2.4654 estimate D2E/DX2 ! ! R12 R(4,6) 2.5608 estimate D2E/DX2 ! ! R13 R(4,7) 2.5265 estimate D2E/DX2 ! ! R14 R(5,6) 2.5643 estimate D2E/DX2 ! ! R15 R(5,7) 2.5141 estimate D2E/DX2 ! ! R16 R(6,7) 2.8691 estimate D2E/DX2 ! ! R17 R(6,8) 1.9291 estimate D2E/DX2 ! ! R18 R(8,9) 1.1726 estimate D2E/DX2 ! ! A1 A(2,1,5) 108.061 estimate D2E/DX2 ! ! A2 A(1,2,3) 108.0165 estimate D2E/DX2 ! ! A3 A(2,3,4) 107.8525 estimate D2E/DX2 ! ! A4 A(3,4,5) 108.006 estimate D2E/DX2 ! ! A5 A(1,5,4) 108.0629 estimate D2E/DX2 ! ! A6 A(1,6,3) 102.6766 estimate D2E/DX2 ! ! A7 A(1,6,4) 102.3616 estimate D2E/DX2 ! ! A8 A(1,6,8) 117.1049 estimate D2E/DX2 ! ! A9 A(2,6,4) 102.6173 estimate D2E/DX2 ! ! A10 A(2,6,5) 102.3751 estimate D2E/DX2 ! ! A11 A(2,6,8) 128.4746 estimate D2E/DX2 ! ! A12 A(3,6,5) 102.6077 estimate D2E/DX2 ! ! A13 A(3,6,8) 134.8824 estimate D2E/DX2 ! ! A14 A(4,6,8) 126.3822 estimate D2E/DX2 ! ! A15 A(5,6,8) 115.9793 estimate D2E/DX2 ! ! A16 A(7,6,8) 169.5041 estimate D2E/DX2 ! ! A17 A(1,7,3) 104.28 estimate D2E/DX2 ! ! A18 A(1,7,4) 104.6344 estimate D2E/DX2 ! ! A19 A(2,7,4) 104.374 estimate D2E/DX2 ! ! A20 A(2,7,5) 104.5857 estimate D2E/DX2 ! ! A21 A(3,7,5) 104.3548 estimate D2E/DX2 ! ! A22 A(6,8,9) 161.0129 estimate D2E/DX2 ! ! D1 D(5,1,2,3) 0.2167 estimate D2E/DX2 ! ! D2 D(2,1,5,4) -0.0204 estimate D2E/DX2 ! ! D3 D(1,2,3,4) -0.3296 estimate D2E/DX2 ! ! D4 D(2,3,4,5) 0.3169 estimate D2E/DX2 ! ! D5 D(3,4,5,1) -0.1837 estimate D2E/DX2 ! ! D6 D(1,6,8,9) -37.5225 estimate D2E/DX2 ! ! D7 D(2,6,8,9) -106.2386 estimate D2E/DX2 ! ! D8 D(3,6,8,9) 173.4226 estimate D2E/DX2 ! ! D9 D(4,6,8,9) 94.9963 estimate D2E/DX2 ! ! D10 D(5,6,8,9) 27.5318 estimate D2E/DX2 ! ! D11 D(7,6,8,9) 0.6289 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 Number of steps in this run= 61 maximum allowed number of steps= 100. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Sat Apr 12 23:56:30 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 -1.155395 -0.864261 1.631278 2 29 0 -2.301639 0.099193 -0.326374 3 29 0 -0.837149 1.842314 -1.288401 4 29 0 1.209360 1.958525 0.091405 5 29 0 1.012061 0.283760 1.889839 6 29 0 0.214729 -0.334065 -0.467751 7 29 0 -1.016537 1.617717 1.237039 8 6 0 1.133797 -1.805029 -1.312252 9 8 0 1.740772 -2.798153 -1.454782 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.464654 0.000000 3 Cu 3.993915 2.471578 0.000000 4 Cu 3.991416 3.994843 2.470946 0.000000 5 Cu 2.466308 3.990774 3.993730 2.465386 0.000000 6 Cu 2.562083 2.557305 2.552752 2.560843 2.564308 7 Cu 2.516928 2.530151 2.541746 2.526508 2.514121 8 C 3.845752 4.049720 4.145879 4.017500 3.825081 9 O 4.653116 5.099902 5.311055 5.029820 4.606051 6 7 8 9 6 Cu 0.000000 7 Cu 2.869108 0.000000 8 C 1.929146 4.778914 0.000000 9 O 3.061824 5.860765 1.172616 0.000000 Symmetry turned off by external request. Stoichiometry CCu7O(2) Framework group C1[X(CCu7O)] Deg. of freedom 21 Full point group C1 Rotational constants (GHZ): 0.3848847 0.3657967 0.3471913 Leave Link 202 at Sat Apr 12 23:56:30 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1707.3273877824 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sat Apr 12 23:56:31 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 551 NPtTot= 95194 NUsed= 99088 NTot= 99120 NSgBfM= 186 186 186 186. Leave Link 302 at Sat Apr 12 23:56:34 2008, MaxMem= 1258291200 cpu: 7.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Sat Apr 12 23:56:34 2008, MaxMem= 1258291200 cpu: 0.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Harris functional with IExCor= 402 diagonalized for initial guess. ExpMin= 2.40D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Harris En= -1259.64468773933 of initial guess= 0.7500 Leave Link 401 at Sat Apr 12 23:56:36 2008, MaxMem= 1258291200 cpu: 6.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 99087 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306793046. IEnd= 239252 IEndB= 239252 NGot=1258291200 MDV= 955639085 LenX= 955639085 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1483.88346996188 DIIS: error= 1.43D-01 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1483.88346996188 IErMin= 1 ErrMin= 1.43D-01 ErrMax= 1.43D-01 EMaxC= 1.00D-01 BMatC= 1.38D+01 BMatP= 1.38D+01 IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= -0.010 Goal= None Shift= 0.000 Gap= 0.083 Goal= None Shift= 0.000 GapD= -0.010 DampG=0.250 DampE=0.125 DampFc=0.1250 IDamp=-1. Damping current iteration by 1.25D-01 RMSDP=6.70D+00 MaxDP=1.90D+02 OVMax= 9.83D-01 Cycle 2 Pass 1 IDiag 1: E= -1481.66417882740 Delta-E= 2.219291134482 Rises=F Damp=T DIIS: error= 4.14D-02 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1483.88346996188 IErMin= 2 ErrMin= 4.14D-02 ErrMax= 4.14D-02 EMaxC= 1.00D-01 BMatC= 1.54D+00 BMatP= 1.38D+01 IDIUse=3 WtCom= 5.86D-01 WtEn= 4.14D-01 Coeff-Com: -0.622D-01 0.106D+01 Coeff-En: 0.733D+00 0.267D+00 Coeff: 0.267D+00 0.733D+00 Gap= 0.057 Goal= None Shift= 0.000 Gap= 0.011 Goal= None Shift= 0.000 RMSDP=8.38D-01 MaxDP=2.37D+01 DE= 2.22D+00 OVMax= 9.20D-01 Cycle 3 Pass 1 IDiag 1: E= -1483.80853872101 Delta-E= -2.144359893611 Rises=F Damp=F DIIS: error= 1.38D-01 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 1 EnMin= -1483.88346996188 IErMin= 2 ErrMin= 4.14D-02 ErrMax= 1.38D-01 EMaxC= 1.00D-01 BMatC= 7.48D+00 BMatP= 1.54D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 2 forward-backward iterations Coeff-En: 0.395D+00 0.175D+00 0.430D+00 Coeff: 0.395D+00 0.175D+00 0.430D+00 Gap= 0.873 Goal= None Shift= 0.000 Gap= -0.081 Goal= None Shift= 0.000 RMSDP=8.61D-02 MaxDP=5.34D+00 DE=-2.14D+00 OVMax= 8.82D-01 Cycle 4 Pass 1 IDiag 1: E= -1433.58965820403 Delta-E= 50.218880516981 Rises=F Damp=F DIIS: error= 3.25D-01 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 1 EnMin= -1483.88346996188 IErMin= 2 ErrMin= 4.14D-02 ErrMax= 3.25D-01 EMaxC= 1.00D-01 BMatC= 1.41D+02 BMatP= 1.54D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 100 forward-backward iterations Coeff-En: 0.469D+00 0.545D-02 0.445D+00 0.803D-01 Coeff: 0.469D+00 0.545D-02 0.445D+00 0.803D-01 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.010 Goal= None Shift= 0.000 RMSDP=5.66D-02 MaxDP=3.85D+00 DE= 5.02D+01 OVMax= 9.05D-01 Cycle 5 Pass 1 IDiag 1: E= -1461.21286253891 Delta-E= -27.623204334885 Rises=F Damp=F DIIS: error= 4.07D-01 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 1 EnMin= -1483.88346996188 IErMin= 2 ErrMin= 4.14D-02 ErrMax= 4.07D-01 EMaxC= 1.00D-01 BMatC= 1.30D+02 BMatP= 1.54D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 100 forward-backward iterations Coeff-En: 0.482D+00 0.298D-02 0.383D+00 0.497D-01 0.820D-01 Coeff: 0.482D+00 0.298D-02 0.383D+00 0.497D-01 0.820D-01 Gap= -0.089 Goal= None Shift= 0.000 Gap= 0.025 Goal= None Shift= 0.000 RMSDP=4.80D-02 MaxDP=3.44D+00 DE=-2.76D+01 OVMax= 7.36D-01 Cycle 6 Pass 1 IDiag 1: E= -1481.32675746702 Delta-E= -20.113894928113 Rises=F Damp=F DIIS: error= 2.63D-01 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 1 EnMin= -1483.88346996188 IErMin= 2 ErrMin= 4.14D-02 ErrMax= 2.63D-01 EMaxC= 1.00D-01 BMatC= 3.95D+01 BMatP= 1.54D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 3 forward-backward iterations Coeff-En: 0.367D+00 0.000D+00 0.334D+00 0.684D-04 0.331D-01 0.266D+00 Coeff: 0.367D+00 0.000D+00 0.334D+00 0.684D-04 0.331D-01 0.266D+00 Gap= 0.247 Goal= None Shift= 0.000 Gap= 0.219 Goal= None Shift= 0.000 RMSDP=2.37D-02 MaxDP=1.10D+00 DE=-2.01D+01 OVMax= 9.00D-01 Cycle 7 Pass 1 IDiag 1: E= -1446.23161537632 Delta-E= 35.095142090706 Rises=F Damp=F DIIS: error= 3.31D-01 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 1 EnMin= -1483.88346996188 IErMin= 2 ErrMin= 4.14D-02 ErrMax= 3.31D-01 EMaxC= 1.00D-01 BMatC= 7.26D+01 BMatP= 1.54D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 6 forward-backward iterations Coeff-En: 0.349D+00 0.000D+00 0.341D+00 0.690D-04 0.232D-01 0.250D+00 Coeff-En: 0.366D-01 Coeff: 0.349D+00 0.000D+00 0.341D+00 0.690D-04 0.232D-01 0.250D+00 Coeff: 0.366D-01 Gap= 0.047 Goal= None Shift= 0.000 Gap= 0.014 Goal= None Shift= 0.000 RMSDP=1.78D-02 MaxDP=9.09D-01 DE= 3.51D+01 OVMax= 8.50D-01 Cycle 8 Pass 1 IDiag 1: E= -1483.06706933626 Delta-E= -36.835453959938 Rises=F Damp=F DIIS: error= 1.69D-01 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 1 EnMin= -1483.88346996188 IErMin= 2 ErrMin= 4.14D-02 ErrMax= 1.69D-01 EMaxC= 1.00D-01 BMatC= 1.82D+01 BMatP= 1.54D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 3 forward-backward iterations Coeff-En: 0.260D+00 0.000D+00 0.274D+00 0.000D+00 0.000D+00 0.214D+00 Coeff-En: 0.209D-02 0.250D+00 Coeff: 0.260D+00 0.000D+00 0.274D+00 0.000D+00 0.000D+00 0.214D+00 Coeff: 0.209D-02 0.250D+00 Gap= -0.008 Goal= None Shift= 0.000 Gap= 0.175 Goal= None Shift= 0.000 RMSDP=1.67D-02 MaxDP=7.43D-01 DE=-3.68D+01 OVMax= 5.01D-01 Cycle 9 Pass 1 IDiag 1: E= -1484.29272742839 Delta-E= -1.225658092135 Rises=F Damp=F DIIS: error= 1.25D-01 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1484.29272742839 IErMin= 2 ErrMin= 4.14D-02 ErrMax= 1.25D-01 EMaxC= 1.00D-01 BMatC= 1.56D+01 BMatP= 1.54D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 3 forward-backward iterations Coeff-En: 0.193D+00 0.000D+00 0.220D+00 0.000D+00 0.000D+00 0.161D+00 Coeff-En: 0.000D+00 0.203D+00 0.223D+00 Coeff: 0.193D+00 0.000D+00 0.220D+00 0.000D+00 0.000D+00 0.161D+00 Coeff: 0.000D+00 0.203D+00 0.223D+00 Gap= 0.134 Goal= None Shift= 0.000 Gap= 0.256 Goal= None Shift= 0.000 RMSDP=1.14D-02 MaxDP=3.47D-01 DE=-1.23D+00 OVMax= 5.31D-01 Cycle 10 Pass 1 IDiag 1: E= -1486.28543991906 Delta-E= -1.992712490673 Rises=F Damp=F DIIS: error= 4.13D-02 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1486.28543991906 IErMin=10 ErrMin= 4.13D-02 ErrMax= 4.13D-02 EMaxC= 1.00D-01 BMatC= 1.15D+00 BMatP= 1.54D+00 IDIUse=3 WtCom= 5.87D-01 WtEn= 4.13D-01 EnCoef did 1 forward-backward iterations Coeff-Com: -0.981D-01 0.344D+00 0.113D+00-0.314D-03-0.125D-01 0.442D-02 Coeff-Com: -0.841D-02 0.435D-01 0.101D+00 0.513D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.136D-01 0.164D+00 0.823D+00 Coeff: -0.576D-01 0.202D+00 0.661D-01-0.184D-03-0.732D-02 0.259D-02 Coeff: -0.494D-02 0.312D-01 0.127D+00 0.641D+00 Gap= 0.081 Goal= None Shift= 0.000 Gap= 0.124 Goal= None Shift= 0.000 RMSDP=7.79D-03 MaxDP=1.95D-01 DE=-1.99D+00 OVMax= 3.37D-01 Cycle 11 Pass 1 IDiag 1: E= -1486.28119479197 Delta-E= 0.004245127093 Rises=F Damp=F DIIS: error= 3.22D-02 at cycle 11 NSaved= 11. NSaved=11 IEnMin=10 EnMin= -1486.28543991906 IErMin=11 ErrMin= 3.22D-02 ErrMax= 3.22D-02 EMaxC= 1.00D-01 BMatC= 1.16D+00 BMatP= 1.15D+00 IDIUse=3 WtCom= 6.78D-01 WtEn= 3.22D-01 EnCoef did 7 forward-backward iterations Coeff-Com: -0.135D+00 0.155D+00 0.270D-02-0.877D-03-0.120D-02-0.244D-02 Coeff-Com: -0.424D-02 0.226D-02 0.359D-01 0.517D+00 0.431D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.272D-01 0.521D+00 0.451D+00 Coeff: -0.917D-01 0.105D+00 0.183D-02-0.595D-03-0.816D-03-0.166D-02 Coeff: -0.288D-02 0.154D-02 0.331D-01 0.519D+00 0.438D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.117 Goal= None Shift= 0.000 RMSDP=4.85D-03 MaxDP=8.92D-02 DE= 4.25D-03 OVMax= 1.74D-01 Cycle 12 Pass 1 IDiag 1: E= -1486.50587985529 Delta-E= -0.224685063321 Rises=F Damp=F DIIS: error= 1.18D-02 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1486.50587985529 IErMin=12 ErrMin= 1.18D-02 ErrMax= 1.18D-02 EMaxC= 1.00D-01 BMatC= 1.72D-01 BMatP= 1.15D+00 IDIUse=3 WtCom= 8.82D-01 WtEn= 1.18D-01 Coeff-Com: -0.885D-01 0.905D-01-0.335D-02 0.483D-03-0.380D-04 0.177D-02 Coeff-Com: 0.867D-04 0.342D-02-0.174D-01 0.303D+00 0.265D+00 0.445D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.607D-01 0.000D+00 0.939D+00 Coeff: -0.780D-01 0.798D-01-0.296D-02 0.426D-03-0.335D-04 0.156D-02 Coeff: 0.764D-04 0.301D-02-0.153D-01 0.274D+00 0.234D+00 0.504D+00 Gap= 0.076 Goal= None Shift= 0.000 Gap= 0.117 Goal= None Shift= 0.000 RMSDP=2.20D-03 MaxDP=4.20D-02 DE=-2.25D-01 OVMax= 1.10D-01 Cycle 13 Pass 1 IDiag 1: E= -1486.51103601379 Delta-E= -0.005156158496 Rises=F Damp=F DIIS: error= 1.30D-02 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1486.51103601379 IErMin=12 ErrMin= 1.18D-02 ErrMax= 1.30D-02 EMaxC= 1.00D-01 BMatC= 1.36D-01 BMatP= 1.72D-01 IDIUse=3 WtCom= 8.82D-01 WtEn= 1.18D-01 Coeff-Com: -0.725D-01 0.684D-01-0.345D-02 0.379D-03 0.109D-02 0.371D-02 Coeff-Com: 0.491D-03 0.312D-02-0.689D-02 0.706D-01 0.351D-01 0.332D+00 Coeff-Com: 0.568D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.450D+00 Coeff-En: 0.550D+00 Coeff: -0.639D-01 0.603D-01-0.304D-02 0.334D-03 0.964D-03 0.327D-02 Coeff: 0.433D-03 0.275D-02-0.607D-02 0.623D-01 0.310D-01 0.346D+00 Coeff: 0.566D+00 Gap= 0.070 Goal= None Shift= 0.000 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=8.83D-04 MaxDP=2.15D-02 DE=-5.16D-03 OVMax= 5.07D-02 Cycle 14 Pass 1 IDiag 1: E= -1486.52824990596 Delta-E= -0.017213892177 Rises=F Damp=F DIIS: error= 8.91D-03 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1486.52824990596 IErMin=14 ErrMin= 8.91D-03 ErrMax= 8.91D-03 EMaxC= 1.00D-01 BMatC= 5.92D-02 BMatP= 1.36D-01 IDIUse=3 WtCom= 9.11D-01 WtEn= 8.91D-02 Coeff-Com: -0.614D-01 0.558D-01-0.455D-02 0.500D-06 0.107D-02 0.316D-02 Coeff-Com: -0.403D-03 0.321D-02 0.417D-02-0.268D-01-0.327D-01 0.145D+00 Coeff-Com: 0.341D+00 0.573D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.131D+00 Coeff-En: 0.000D+00 0.869D+00 Coeff: -0.559D-01 0.508D-01-0.414D-02 0.455D-06 0.977D-03 0.288D-02 Coeff: -0.367D-03 0.292D-02 0.380D-02-0.244D-01-0.298D-01 0.144D+00 Coeff: 0.310D+00 0.599D+00 Gap= 0.069 Goal= None Shift= 0.000 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=3.28D-04 MaxDP=7.50D-03 DE=-1.72D-02 OVMax= 1.87D-02 Cycle 15 Pass 1 IDiag 1: E= -1486.53122777790 Delta-E= -0.002977871938 Rises=F Damp=F DIIS: error= 8.30D-03 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1486.53122777790 IErMin=15 ErrMin= 8.30D-03 ErrMax= 8.30D-03 EMaxC= 1.00D-01 BMatC= 4.39D-02 BMatP= 5.92D-02 IDIUse=3 WtCom= 9.17D-01 WtEn= 8.30D-02 Coeff-Com: -0.516D-01 0.471D-01-0.228D-02-0.816D-04 0.830D-03 0.227D-02 Coeff-Com: -0.453D-03 0.254D-02 0.719D-02-0.414D-01-0.351D-01-0.380D-01 Coeff-Com: -0.539D-01 0.397D+00 0.766D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.109D-01 Coeff-En: 0.000D+00 0.000D+00 0.989D+00 Coeff: -0.473D-01 0.432D-01-0.209D-02-0.748D-04 0.761D-03 0.208D-02 Coeff: -0.415D-03 0.233D-02 0.660D-02-0.379D-01-0.322D-01-0.339D-01 Coeff: -0.495D-01 0.364D+00 0.785D+00 Gap= 0.068 Goal= None Shift= 0.000 Gap= 0.106 Goal= None Shift= 0.000 RMSDP=2.74D-04 MaxDP=6.33D-03 DE=-2.98D-03 OVMax= 7.62D-03 Cycle 16 Pass 1 IDiag 1: E= -1486.53407431175 Delta-E= -0.002846533842 Rises=F Damp=F DIIS: error= 6.97D-03 at cycle 16 NSaved= 16. NSaved=16 IEnMin=16 EnMin= -1486.53407431175 IErMin=16 ErrMin= 6.97D-03 ErrMax= 6.97D-03 EMaxC= 1.00D-01 BMatC= 3.16D-02 BMatP= 4.39D-02 IDIUse=3 WtCom= 9.30D-01 WtEn= 6.97D-02 Coeff-Com: -0.331D-01 0.300D-01 0.103D-02-0.509D-04 0.478D-03 0.106D-02 Coeff-Com: 0.910D-04 0.184D-02 0.605D-02-0.189D-01-0.995D-02-0.242D+00 Coeff-Com: -0.492D+00-0.288D+00 0.101D+01 0.103D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: -0.308D-01 0.279D-01 0.956D-03-0.474D-04 0.444D-03 0.982D-03 Coeff: 0.846D-04 0.171D-02 0.563D-02-0.176D-01-0.925D-02-0.225D+00 Coeff: -0.457D+00-0.268D+00 0.942D+00 0.103D+01 Gap= 0.066 Goal= None Shift= 0.000 Gap= 0.106 Goal= None Shift= 0.000 RMSDP=4.07D-04 MaxDP=8.75D-03 DE=-2.85D-03 OVMax= 1.22D-02 Cycle 17 Pass 1 IDiag 1: E= -1486.53804999812 Delta-E= -0.003975686372 Rises=F Damp=F DIIS: error= 4.54D-03 at cycle 17 NSaved= 17. NSaved=17 IEnMin=17 EnMin= -1486.53804999812 IErMin=17 ErrMin= 4.54D-03 ErrMax= 4.54D-03 EMaxC= 1.00D-01 BMatC= 1.42D-02 BMatP= 3.16D-02 IDIUse=3 WtCom= 9.55D-01 WtEn= 4.54D-02 Coeff-Com: -0.785D-02 0.340D-02-0.754D-03 0.218D-05 0.261D-03 0.540D-03 Coeff-Com: 0.332D-04 0.164D-02 0.170D-02 0.185D-01 0.199D-01-0.190D+00 Coeff-Com: -0.381D+00-0.706D+00 0.526D-01 0.103D+01 0.116D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: -0.749D-02 0.325D-02-0.720D-03 0.208D-05 0.249D-03 0.515D-03 Coeff: 0.317D-04 0.157D-02 0.162D-02 0.177D-01 0.190D-01-0.182D+00 Coeff: -0.363D+00-0.674D+00 0.502D-01 0.983D+00 0.115D+01 Gap= 0.064 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=6.22D-04 MaxDP=1.62D-02 DE=-3.98D-03 OVMax= 1.58D-02 Cycle 18 Pass 1 IDiag 1: E= -1486.54097825426 Delta-E= -0.002928256146 Rises=F Damp=F DIIS: error= 4.68D-04 at cycle 18 NSaved= 18. NSaved=18 IEnMin=18 EnMin= -1486.54097825426 IErMin=18 ErrMin= 4.68D-04 ErrMax= 4.68D-04 EMaxC= 1.00D-01 BMatC= 2.42D-04 BMatP= 1.42D-02 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.68D-03 Coeff-Com: -0.222D-02 0.479D-03-0.496D-03-0.126D-05 0.130D-03 0.258D-03 Coeff-Com: -0.174D-04 0.726D-03 0.391D-03 0.130D-01 0.112D-01-0.755D-01 Coeff-Com: -0.152D+00-0.353D+00-0.108D+00 0.430D+00 0.697D+00 0.537D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: -0.221D-02 0.477D-03-0.493D-03-0.126D-05 0.129D-03 0.256D-03 Coeff: -0.173D-04 0.723D-03 0.390D-03 0.130D-01 0.111D-01-0.751D-01 Coeff: -0.152D+00-0.351D+00-0.107D+00 0.428D+00 0.694D+00 0.540D+00 Gap= 0.064 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.10D-04 MaxDP=2.19D-03 DE=-2.93D-03 OVMax= 8.18D-03 Cycle 19 Pass 1 IDiag 1: E= -1486.54102754604 Delta-E= -0.000049291774 Rises=F Damp=F DIIS: error= 2.89D-04 at cycle 19 NSaved= 19. NSaved=19 IEnMin=19 EnMin= -1486.54102754604 IErMin=19 ErrMin= 2.89D-04 ErrMax= 2.89D-04 EMaxC= 1.00D-01 BMatC= 1.33D-04 BMatP= 2.42D-04 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.89D-03 Coeff-Com: -0.103D-03 0.546D-03-0.275D-04-0.997D-06 0.942D-05 0.433D-04 Coeff-Com: -0.159D-04-0.506D-04-0.205D-03 0.309D-02 0.419D-03 0.895D-02 Coeff-Com: 0.209D-01-0.222D-02-0.894D-01-0.596D-01 0.106D+00 0.512D+00 Coeff-Com: 0.499D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.194D+00 Coeff-En: 0.806D+00 Coeff: -0.102D-03 0.544D-03-0.274D-04-0.994D-06 0.940D-05 0.432D-04 Coeff: -0.159D-04-0.505D-04-0.204D-03 0.308D-02 0.418D-03 0.893D-02 Coeff: 0.209D-01-0.222D-02-0.891D-01-0.594D-01 0.106D+00 0.511D+00 Coeff: 0.500D+00 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.19D-05 MaxDP=1.28D-03 DE=-4.93D-05 OVMax= 6.58D-03 Cycle 20 Pass 1 IDiag 1: Restarting incremental Fock formation. E= -1486.54105820649 Delta-E= -0.000030660449 Rises=F Damp=F DIIS: error= 1.16D-04 at cycle 20 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.54105820649 IErMin=20 ErrMin= 1.16D-04 ErrMax= 1.16D-04 EMaxC= 1.00D-01 BMatC= 1.13D-05 BMatP= 1.33D-04 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.16D-03 Matrix for removal 4 Erem= -1433.58965820403 Crem= 0.000D+00 Coeff-Com: -0.208D-03 0.404D-03 0.610D-04-0.182D-05-0.392D-07-0.329D-04 Coeff-Com: 0.210D-05-0.639D-04-0.130D-03 0.849D-03-0.117D-02 0.126D-01 Coeff-Com: 0.347D-01 0.277D-01-0.423D-01-0.777D-01-0.821D-02 0.239D+00 Coeff-Com: 0.265D+00 0.550D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.100D+01 Coeff: -0.207D-03 0.404D-03 0.609D-04-0.182D-05-0.391D-07-0.329D-04 Coeff: 0.210D-05-0.638D-04-0.130D-03 0.848D-03-0.117D-02 0.126D-01 Coeff: 0.346D-01 0.277D-01-0.423D-01-0.776D-01-0.820D-02 0.238D+00 Coeff: 0.264D+00 0.551D+00 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.57D-05 MaxDP=5.09D-04 DE=-3.07D-05 OVMax= 2.00D-03 Cycle 21 Pass 1 IDiag 1: E= -1486.54106380259 Delta-E= -0.000005596105 Rises=F Damp=F DIIS: error= 5.70D-05 at cycle 21 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.54106380259 IErMin=20 ErrMin= 5.70D-05 ErrMax= 5.70D-05 EMaxC= 1.00D-01 BMatC= 3.00D-06 BMatP= 1.13D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.366D-03-0.139D-04 0.595D-04 0.850D-05-0.341D-05 0.114D-05 Coeff-Com: -0.272D-04-0.877D-05 0.331D-03-0.562D-03 0.157D-02 0.758D-02 Coeff-Com: -0.512D-02 0.437D-02 0.127D-01-0.273D-01-0.106D+00-0.100D+00 Coeff-Com: 0.140D+00 0.107D+01 Coeff: -0.366D-03-0.139D-04 0.595D-04 0.850D-05-0.341D-05 0.114D-05 Coeff: -0.272D-04-0.877D-05 0.331D-03-0.562D-03 0.157D-02 0.758D-02 Coeff: -0.512D-02 0.437D-02 0.127D-01-0.273D-01-0.106D+00-0.100D+00 Coeff: 0.140D+00 0.107D+01 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.20D-05 MaxDP=5.43D-04 DE=-5.60D-06 OVMax= 3.28D-03 Cycle 22 Pass 1 IDiag 1: E= -1486.54106600462 Delta-E= -0.000002202032 Rises=F Damp=F DIIS: error= 1.55D-05 at cycle 22 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.54106600462 IErMin=20 ErrMin= 1.55D-05 ErrMax= 1.55D-05 EMaxC= 1.00D-01 BMatC= 3.88D-07 BMatP= 3.00D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.189D-03 0.604D-05 0.349D-04 0.532D-05 0.685D-05-0.167D-04 Coeff-Com: -0.533D-05 0.694D-04-0.187D-03-0.383D-03 0.701D-03-0.438D-02 Coeff-Com: 0.895D-02 0.122D-01-0.178D-01-0.729D-01-0.748D-01-0.955D-02 Coeff-Com: 0.556D+00 0.602D+00 Coeff: -0.189D-03 0.604D-05 0.349D-04 0.532D-05 0.685D-05-0.167D-04 Coeff: -0.533D-05 0.694D-04-0.187D-03-0.383D-03 0.701D-03-0.438D-02 Coeff: 0.895D-02 0.122D-01-0.178D-01-0.729D-01-0.748D-01-0.955D-02 Coeff: 0.556D+00 0.602D+00 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=6.78D-06 MaxDP=1.67D-04 DE=-2.20D-06 OVMax= 9.12D-04 Cycle 23 Pass 1 IDiag 1: E= -1486.54106618831 Delta-E= -0.000000183687 Rises=F Damp=F DIIS: error= 1.35D-05 at cycle 23 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.54106618831 IErMin=20 ErrMin= 1.35D-05 ErrMax= 1.35D-05 EMaxC= 1.00D-01 BMatC= 3.17D-07 BMatP= 3.88D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.122D-04 0.266D-04 0.326D-05 0.468D-05-0.115D-05-0.263D-05 Coeff-Com: -0.153D-03 0.362D-04-0.810D-03-0.186D-02-0.308D-03 0.709D-02 Coeff-Com: 0.214D-02-0.735D-02-0.133D-01-0.179D-01-0.631D-01 0.165D-01 Coeff-Com: 0.542D+00 0.537D+00 Coeff: -0.122D-04 0.266D-04 0.326D-05 0.468D-05-0.115D-05-0.263D-05 Coeff: -0.153D-03 0.362D-04-0.810D-03-0.186D-02-0.308D-03 0.709D-02 Coeff: 0.214D-02-0.735D-02-0.133D-01-0.179D-01-0.631D-01 0.165D-01 Coeff: 0.542D+00 0.537D+00 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=4.68D-06 MaxDP=1.05D-04 DE=-1.84D-07 OVMax= 5.61D-04 Cycle 24 Pass 1 IDiag 1: E= -1486.54106630633 Delta-E= -0.000000118023 Rises=F Damp=F DIIS: error= 8.13D-06 at cycle 24 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.54106630633 IErMin=20 ErrMin= 8.13D-06 ErrMax= 8.13D-06 EMaxC= 1.00D-01 BMatC= 5.70D-08 BMatP= 3.17D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.244D-04 0.155D-05-0.993D-05 0.268D-05 0.594D-05-0.896D-04 Coeff-Com: 0.502D-04-0.176D-03-0.792D-03-0.632D-04 0.721D-03-0.728D-03 Coeff-Com: 0.618D-03 0.897D-02 0.654D-02-0.322D-01-0.942D-01 0.127D+00 Coeff-Com: 0.232D+00 0.753D+00 Coeff: 0.244D-04 0.155D-05-0.993D-05 0.268D-05 0.594D-05-0.896D-04 Coeff: 0.502D-04-0.176D-03-0.792D-03-0.632D-04 0.721D-03-0.728D-03 Coeff: 0.618D-03 0.897D-02 0.654D-02-0.322D-01-0.942D-01 0.127D+00 Coeff: 0.232D+00 0.753D+00 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.27D-06 MaxDP=5.48D-05 DE=-1.18D-07 OVMax= 3.28D-04 Cycle 25 Pass 1 IDiag 1: E= -1486.54106633038 Delta-E= -0.000000024042 Rises=F Damp=F DIIS: error= 3.13D-06 at cycle 25 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.54106633038 IErMin=20 ErrMin= 3.13D-06 ErrMax= 3.13D-06 EMaxC= 1.00D-01 BMatC= 6.58D-09 BMatP= 5.70D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.988D-06 0.274D-05-0.315D-05 0.140D-05 0.340D-04 0.438D-04 Coeff-Com: -0.747D-04-0.121D-03-0.153D-02-0.166D-02 0.122D-02 0.374D-02 Coeff-Com: 0.544D-02 0.457D-02-0.246D-02-0.399D-01-0.892D-01-0.620D-01 Coeff-Com: 0.282D+00 0.900D+00 Coeff: -0.988D-06 0.274D-05-0.315D-05 0.140D-05 0.340D-04 0.438D-04 Coeff: -0.747D-04-0.121D-03-0.153D-02-0.166D-02 0.122D-02 0.374D-02 Coeff: 0.544D-02 0.457D-02-0.246D-02-0.399D-01-0.892D-01-0.620D-01 Coeff: 0.282D+00 0.900D+00 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.21D-06 MaxDP=3.13D-05 DE=-2.40D-08 OVMax= 1.60D-04 Cycle 26 Pass 1 IDiag 1: E= -1486.54106633599 Delta-E= -0.000000005615 Rises=F Damp=F DIIS: error= 5.84D-07 at cycle 26 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.54106633599 IErMin=20 ErrMin= 5.84D-07 ErrMax= 5.84D-07 EMaxC= 1.00D-01 BMatC= 3.52D-10 BMatP= 6.58D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.497D-06 0.115D-05-0.114D-05 0.114D-04-0.669D-05 0.884D-04 Coeff-Com: 0.258D-03-0.171D-03-0.807D-03-0.229D-05 0.878D-03 0.158D-02 Coeff-Com: 0.131D-02 0.115D-02-0.744D-02-0.230D-01-0.208D-01 0.247D-01 Coeff-Com: 0.156D+00 0.866D+00 Coeff: -0.497D-06 0.115D-05-0.114D-05 0.114D-04-0.669D-05 0.884D-04 Coeff: 0.258D-03-0.171D-03-0.807D-03-0.229D-05 0.878D-03 0.158D-02 Coeff: 0.131D-02 0.115D-02-0.744D-02-0.230D-01-0.208D-01 0.247D-01 Coeff: 0.156D+00 0.866D+00 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.75D-07 MaxDP=3.11D-06 DE=-5.61D-09 OVMax= 1.87D-05 Cycle 27 Pass 1 IDiag 1: E= -1486.54106633614 Delta-E= -0.000000000152 Rises=F Damp=F DIIS: error= 4.26D-07 at cycle 27 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.54106633614 IErMin=20 ErrMin= 4.26D-07 ErrMax= 4.26D-07 EMaxC= 1.00D-01 BMatC= 2.13D-10 BMatP= 3.52D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.338D-06-0.431D-06 0.395D-05-0.844D-05 0.257D-04 0.986D-04 Coeff-Com: 0.121D-03-0.947D-04-0.146D-03-0.867D-04-0.248D-04 0.695D-04 Coeff-Com: 0.116D-02 0.221D-02 0.392D-02 0.633D-04-0.400D-01-0.929D-01 Coeff-Com: 0.561D+00 0.565D+00 Coeff: 0.338D-06-0.431D-06 0.395D-05-0.844D-05 0.257D-04 0.986D-04 Coeff: 0.121D-03-0.947D-04-0.146D-03-0.867D-04-0.248D-04 0.695D-04 Coeff: 0.116D-02 0.221D-02 0.392D-02 0.633D-04-0.400D-01-0.929D-01 Coeff: 0.561D+00 0.565D+00 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=8.81D-08 MaxDP=3.07D-06 DE=-1.52D-10 OVMax= 7.88D-06 Cycle 28 Pass 1 IDiag 1: E= -1486.54106633620 Delta-E= -0.000000000056 Rises=F Damp=F DIIS: error= 9.12D-08 at cycle 28 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.54106633620 IErMin=20 ErrMin= 9.12D-08 ErrMax= 9.12D-08 EMaxC= 1.00D-01 BMatC= 1.16D-11 BMatP= 2.13D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.123D-06 0.146D-06-0.189D-05 0.134D-05 0.209D-05 0.563D-04 Coeff-Com: 0.702D-04-0.596D-04-0.125D-03-0.165D-03-0.118D-03 0.207D-03 Coeff-Com: 0.126D-02 0.266D-02 0.127D-02-0.781D-02-0.236D-01-0.179D-01 Coeff-Com: 0.143D+00 0.901D+00 Coeff: -0.123D-06 0.146D-06-0.189D-05 0.134D-05 0.209D-05 0.563D-04 Coeff: 0.702D-04-0.596D-04-0.125D-03-0.165D-03-0.118D-03 0.207D-03 Coeff: 0.126D-02 0.266D-02 0.127D-02-0.781D-02-0.236D-01-0.179D-01 Coeff: 0.143D+00 0.901D+00 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=3.19D-08 MaxDP=7.45D-07 DE=-5.64D-11 OVMax= 3.62D-06 Cycle 29 Pass 1 IDiag 1: E= -1486.54106633620 Delta-E= -0.000000000002 Rises=F Damp=F DIIS: error= 4.08D-08 at cycle 29 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.54106633620 IErMin=20 ErrMin= 4.08D-08 ErrMax= 4.08D-08 EMaxC= 1.00D-01 BMatC= 7.50D-13 BMatP= 1.16D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.280D-06 0.261D-06-0.325D-05-0.113D-04 0.555D-05 0.341D-04 Coeff-Com: 0.366D-05-0.376D-04-0.504D-04-0.584D-04-0.643D-04 0.175D-03 Coeff-Com: 0.743D-03 0.751D-03 0.351D-03-0.243D-02-0.603D-01 0.909D-02 Coeff-Com: 0.280D+00 0.772D+00 Coeff: -0.280D-06 0.261D-06-0.325D-05-0.113D-04 0.555D-05 0.341D-04 Coeff: 0.366D-05-0.376D-04-0.504D-04-0.584D-04-0.643D-04 0.175D-03 Coeff: 0.743D-03 0.751D-03 0.351D-03-0.243D-02-0.603D-01 0.909D-02 Coeff: 0.280D+00 0.772D+00 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.30D-08 MaxDP=2.31D-07 DE=-1.82D-12 OVMax= 1.60D-06 Cycle 30 Pass 1 IDiag 1: E= -1486.54106633620 Delta-E= 0.000000000000 Rises=F Damp=F DIIS: error= 2.53D-08 at cycle 30 NSaved= 20. NSaved=20 IEnMin=19 EnMin= -1486.54106633620 IErMin=20 ErrMin= 2.53D-08 ErrMax= 2.53D-08 EMaxC= 1.00D-01 BMatC= 3.28D-13 BMatP= 7.50D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.403D-06-0.618D-07-0.157D-05-0.751D-06 0.630D-05 0.227D-05 Coeff-Com: -0.775D-05-0.112D-04-0.456D-05-0.535D-04-0.180D-04 0.863D-04 Coeff-Com: 0.268D-03 0.849D-03 0.737D-03-0.254D-01-0.962D-02 0.361D-01 Coeff-Com: 0.395D+00 0.602D+00 Coeff: -0.403D-06-0.618D-07-0.157D-05-0.751D-06 0.630D-05 0.227D-05 Coeff: -0.775D-05-0.112D-04-0.456D-05-0.535D-04-0.180D-04 0.863D-04 Coeff: 0.268D-03 0.849D-03 0.737D-03-0.254D-01-0.962D-02 0.361D-01 Coeff: 0.395D+00 0.602D+00 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=5.20D-09 MaxDP=9.34D-08 DE= 0.00D+00 OVMax= 5.88D-07 SCF Done: E(UB+HF-LYP) = -1486.54106634 A.U. after 30 cycles Convg = 0.5202D-08 -V/T = 2.4794 S**2 = 0.7536 KE= 1.004842316410D+03 PE=-7.043669028114D+03 EE= 2.844958257585D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7536, after 0.7500 Leave Link 502 at Sat Apr 12 23:58:05 2008, MaxMem= 1258291200 cpu: 301.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26389 -10.34592 -4.34458 -4.29805 -4.29614 Alpha occ. eigenvalues -- -4.29580 -4.29563 -4.29495 -4.29473 -2.85547 Alpha occ. eigenvalues -- -2.84886 -2.84823 -2.80601 -2.80598 -2.80531 Alpha occ. eigenvalues -- -2.80456 -2.80446 -2.80394 -2.80389 -2.80338 Alpha occ. eigenvalues -- -2.80319 -2.80306 -2.80229 -2.80212 -2.80205 Alpha occ. eigenvalues -- -2.80178 -2.80161 -2.80138 -2.80084 -2.80065 Alpha occ. eigenvalues -- -1.18009 -0.58225 -0.48270 -0.47639 -0.46380 Alpha occ. eigenvalues -- -0.36104 -0.33859 -0.33821 -0.32763 -0.32755 Alpha occ. eigenvalues -- -0.32435 -0.30844 -0.30818 -0.30770 -0.30754 Alpha occ. eigenvalues -- -0.30733 -0.30145 -0.29199 -0.29180 -0.29149 Alpha occ. eigenvalues -- -0.29118 -0.27969 -0.27916 -0.27908 -0.27879 Alpha occ. eigenvalues -- -0.27315 -0.27269 -0.27143 -0.26812 -0.26729 Alpha occ. eigenvalues -- -0.26693 -0.26679 -0.26538 -0.26151 -0.26106 Alpha occ. eigenvalues -- -0.25947 -0.25930 -0.25926 -0.25303 -0.25290 Alpha occ. eigenvalues -- -0.25212 -0.20693 -0.20685 -0.14715 Alpha virt. eigenvalues -- -0.08374 -0.08110 -0.08051 -0.07983 -0.07387 Alpha virt. eigenvalues -- -0.02619 -0.02215 -0.00470 -0.00330 0.00387 Alpha virt. eigenvalues -- 0.01112 0.01124 0.02061 0.03300 0.04210 Alpha virt. eigenvalues -- 0.04222 0.04522 0.04638 0.04647 0.05115 Alpha virt. eigenvalues -- 0.05199 0.06311 0.06329 0.07218 0.07266 Alpha virt. eigenvalues -- 0.07979 0.07996 0.08530 0.09069 0.09072 Alpha virt. eigenvalues -- 0.09473 0.09686 0.11159 0.14448 0.14474 Alpha virt. eigenvalues -- 0.17295 0.18594 0.18841 0.21218 0.24382 Alpha virt. eigenvalues -- 0.24592 0.24813 0.25590 0.27493 0.28642 Alpha virt. eigenvalues -- 0.30664 0.31601 0.33586 0.40082 0.41375 Alpha virt. eigenvalues -- 0.54083 0.63708 0.63723 0.65197 0.67266 Alpha virt. eigenvalues -- 0.67640 0.68034 0.68492 0.68798 0.71525 Alpha virt. eigenvalues -- 0.72920 0.74498 0.79120 0.79970 0.85142 Alpha virt. eigenvalues -- 0.85710 0.85926 0.86382 0.86766 0.87814 Alpha virt. eigenvalues -- 0.87923 0.97618 0.97692 0.98494 1.04035 Alpha virt. eigenvalues -- 1.04141 1.06165 1.09665 1.15576 1.16172 Alpha virt. eigenvalues -- 1.21976 1.24819 1.24850 1.27510 1.27870 Alpha virt. eigenvalues -- 1.32532 1.32683 1.33927 1.34344 1.35089 Alpha virt. eigenvalues -- 1.64009 1.79807 1.80481 1.82086 2.17677 Alpha virt. eigenvalues -- 2.24174 2.55829 9.39938 Beta occ. eigenvalues -- -19.26306 -10.34411 -4.34241 -4.29724 -4.29551 Beta occ. eigenvalues -- -4.29513 -4.29495 -4.29422 -4.29400 -2.85318 Beta occ. eigenvalues -- -2.84699 -2.84598 -2.80518 -2.80518 -2.80455 Beta occ. eigenvalues -- -2.80391 -2.80377 -2.80346 -2.80332 -2.80287 Beta occ. eigenvalues -- -2.80271 -2.80231 -2.80189 -2.80178 -2.80131 Beta occ. eigenvalues -- -2.80117 -2.80074 -2.80055 -2.79968 -2.79949 Beta occ. eigenvalues -- -1.17814 -0.57903 -0.47889 -0.47530 -0.45699 Beta occ. eigenvalues -- -0.35569 -0.33746 -0.33675 -0.32580 -0.32570 Beta occ. eigenvalues -- -0.31965 -0.30707 -0.30687 -0.30653 -0.30640 Beta occ. eigenvalues -- -0.30553 -0.29963 -0.29135 -0.29117 -0.29062 Beta occ. eigenvalues -- -0.29031 -0.27837 -0.27789 -0.27783 -0.27754 Beta occ. eigenvalues -- -0.27191 -0.27183 -0.26805 -0.26748 -0.26719 Beta occ. eigenvalues -- -0.26594 -0.26548 -0.26142 -0.25961 -0.25929 Beta occ. eigenvalues -- -0.25881 -0.25767 -0.25764 -0.25257 -0.25161 Beta occ. eigenvalues -- -0.25078 -0.20394 -0.20358 Beta virt. eigenvalues -- -0.09998 -0.07970 -0.07952 -0.07709 -0.07696 Beta virt. eigenvalues -- -0.07038 -0.01750 -0.01529 -0.00317 -0.00255 Beta virt. eigenvalues -- 0.00984 0.01143 0.01149 0.02329 0.03422 Beta virt. eigenvalues -- 0.04218 0.04231 0.04724 0.04735 0.04844 Beta virt. eigenvalues -- 0.05344 0.05404 0.06512 0.06527 0.07256 Beta virt. eigenvalues -- 0.07304 0.07977 0.07998 0.09089 0.09091 Beta virt. eigenvalues -- 0.09176 0.09547 0.09801 0.11133 0.14735 Beta virt. eigenvalues -- 0.14806 0.17600 0.18817 0.19149 0.21495 Beta virt. eigenvalues -- 0.24683 0.24777 0.25253 0.26105 0.27801 Beta virt. eigenvalues -- 0.28658 0.31089 0.31887 0.33982 0.40375 Beta virt. eigenvalues -- 0.41472 0.54357 0.63997 0.64018 0.65547 Beta virt. eigenvalues -- 0.67425 0.67812 0.68238 0.68615 0.68903 Beta virt. eigenvalues -- 0.71667 0.73070 0.74730 0.79497 0.80285 Beta virt. eigenvalues -- 0.85442 0.85962 0.86169 0.86747 0.87056 Beta virt. eigenvalues -- 0.87939 0.88075 0.97843 0.97913 0.98758 Beta virt. eigenvalues -- 1.04296 1.04403 1.06309 1.10086 1.15783 Beta virt. eigenvalues -- 1.16329 1.22613 1.24953 1.24973 1.27945 Beta virt. eigenvalues -- 1.28299 1.32907 1.33125 1.34158 1.34352 Beta virt. eigenvalues -- 1.35271 1.64131 1.80125 1.80529 1.82098 Beta virt. eigenvalues -- 2.17805 2.24311 2.56166 9.40094 Alpha Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.26389 -10.34592 -4.34458 -4.29805 -4.29614 1 1 Cu 1S -0.00002 0.00006 0.00058 0.02574 0.01718 2 2S -0.00002 0.00000 -0.00080 -0.00055 0.00014 3 3S 0.00026 -0.00113 -0.00222 -0.00125 -0.00249 4 4PX 0.00000 0.00002 -0.00006 -0.00006 -0.00001 5 4PY 0.00000 0.00000 -0.00003 -0.00022 -0.00004 6 4PZ 0.00000 -0.00002 0.00009 0.00011 0.00006 7 5PX 0.00009 -0.00026 -0.00115 0.00041 -0.00007 8 5PY 0.00001 0.00023 0.00006 -0.00103 -0.00048 9 5PZ -0.00012 0.00021 0.00171 -0.00057 0.00087 10 6PX 0.00027 0.00020 -0.00083 -0.00003 0.00056 11 6PY -0.00046 -0.00019 0.00063 -0.00034 0.00034 12 6PZ -0.00028 0.00005 0.00081 0.00009 0.00032 13 7D 0 0.00000 0.00000 -0.00002 0.00003 -0.00001 14 7D+1 0.00001 -0.00003 0.00003 0.00000 -0.00002 15 7D-1 0.00000 0.00003 0.00000 0.00003 0.00000 16 7D+2 0.00000 0.00001 -0.00001 0.00005 0.00000 17 7D-2 0.00000 -0.00002 0.00000 -0.00001 0.00002 18 8D 0 0.00000 -0.00002 -0.00006 0.00000 0.00000 19 8D+1 -0.00003 0.00013 0.00005 -0.00003 0.00010 20 8D-1 0.00003 -0.00017 0.00011 -0.00011 0.00000 21 8D+2 0.00000 -0.00004 -0.00001 -0.00005 0.00000 22 8D-2 -0.00002 0.00010 -0.00007 0.00006 -0.00005 23 2 Cu 1S -0.00008 0.00032 0.00051 0.03446 0.27252 24 2S -0.00013 0.00045 -0.00100 -0.00044 0.00200 25 3S -0.00025 -0.00075 -0.00233 -0.00127 0.00132 26 4PX -0.00001 0.00004 -0.00013 -0.00024 -0.00138 27 4PY 0.00000 -0.00002 0.00002 -0.00011 -0.00037 28 4PZ 0.00000 -0.00001 0.00001 -0.00013 -0.00037 29 5PX -0.00009 0.00032 -0.00209 0.00029 0.00059 30 5PY 0.00007 0.00010 0.00058 -0.00092 -0.00020 31 5PZ 0.00002 0.00003 0.00043 -0.00088 0.00096 32 6PX -0.00001 -0.00030 -0.00048 -0.00029 -0.00008 33 6PY 0.00002 -0.00033 0.00020 -0.00009 -0.00069 34 6PZ 0.00012 0.00005 -0.00031 -0.00009 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0.05287 -0.18176 50 4PZ -0.27064 -0.33425 0.09960 -0.09262 0.03187 51 5PX -0.00457 -0.00234 0.01009 0.00114 0.00007 52 5PY 0.00607 0.01176 0.00400 0.00189 -0.00359 53 5PZ -0.00911 -0.01378 0.00251 0.00032 0.00607 54 6PX 0.00742 -0.00537 -0.00283 -0.00055 0.00039 55 6PY 0.00466 -0.00166 -0.00173 -0.00139 -0.00113 56 6PZ 0.00238 0.00223 0.00024 -0.00169 0.00528 57 7D 0 0.00032 0.00015 -0.00027 0.00034 0.00018 58 7D+1 0.00088 0.00005 -0.00104 -0.00020 -0.00009 59 7D-1 -0.00049 -0.00126 -0.00030 -0.00023 0.00032 60 7D+2 0.00010 -0.00072 -0.00066 -0.00020 0.00025 61 7D-2 -0.00063 -0.00019 0.00070 0.00004 0.00020 62 8D 0 -0.00002 0.00070 0.00039 -0.00101 -0.00026 63 8D+1 -0.00135 0.00070 0.00140 0.00056 -0.00001 64 8D-1 -0.00047 0.00051 0.00067 0.00013 -0.00001 65 8D+2 -0.00044 0.00063 0.00083 0.00058 -0.00010 66 8D-2 0.00076 -0.00010 -0.00101 0.00051 -0.00010 67 4 Cu 1S 0.00040 0.00088 0.00010 0.00195 0.00118 68 2S 0.00257 -0.00282 0.00209 -0.00076 0.00046 69 3S -0.01703 0.02563 -0.01366 0.02171 0.01531 70 4PX 0.29854 -0.39881 -0.07420 -0.29794 -0.00413 71 4PY 0.18451 -0.42458 0.29107 -0.25956 -0.16852 72 4PZ 0.10684 0.15722 -0.34996 -0.01546 0.04713 73 5PX 0.00989 -0.01335 0.00048 -0.01061 -0.00536 74 5PY 0.00679 -0.01195 0.00633 -0.00824 -0.00363 75 5PZ 0.00001 0.00162 -0.00669 0.00251 0.00298 76 6PX -0.00507 -0.00135 0.00411 0.00201 -0.00464 77 6PY 0.00209 0.00239 0.00001 -0.00048 -0.00035 78 6PZ 0.00104 -0.00555 0.00471 0.00284 -0.00078 79 7D 0 -0.00048 0.00073 -0.00002 0.00054 0.00012 80 7D+1 0.00039 0.00043 -0.00075 -0.00001 0.00000 81 7D-1 0.00017 0.00042 -0.00075 0.00001 0.00012 82 7D+2 0.00024 0.00003 -0.00082 -0.00006 0.00034 83 7D-2 0.00077 -0.00141 0.00037 -0.00089 -0.00028 84 8D 0 -0.00003 0.00005 -0.00057 -0.00026 0.00014 85 8D+1 -0.00175 -0.00043 0.00112 0.00025 0.00044 86 8D-1 -0.00028 -0.00049 0.00105 0.00014 -0.00026 87 8D+2 -0.00016 -0.00043 0.00163 -0.00021 -0.00039 88 8D-2 0.00005 0.00052 0.00019 0.00017 0.00003 89 5 Cu 1S 0.00029 -0.00160 -0.00033 0.00049 0.00108 90 2S 0.00041 -0.00305 0.00067 0.00319 -0.00075 91 3S -0.00046 0.01092 -0.00473 -0.01427 0.02533 92 4PX -0.01623 -0.10663 0.08443 0.42173 -0.22779 93 4PY 0.01111 0.10095 -0.17411 0.06416 -0.00957 94 4PZ -0.00622 -0.22805 0.27714 0.23956 -0.25407 95 5PX 0.00105 -0.00443 0.00506 0.00919 -0.01062 96 5PY 0.00105 0.00148 -0.00301 -0.00031 0.00369 97 5PZ -0.00109 -0.00659 0.00730 0.00883 -0.00916 98 6PX 0.00230 0.00195 -0.00153 -0.00667 -0.00029 99 6PY 0.00349 -0.00502 0.00404 -0.00178 0.00216 100 6PZ -0.00134 -0.00101 -0.00484 0.00139 -0.00131 101 7D 0 0.00001 -0.00045 0.00055 0.00000 -0.00036 102 7D+1 -0.00006 -0.00052 0.00058 0.00118 -0.00078 103 7D-1 0.00004 0.00040 -0.00060 0.00010 0.00007 104 7D+2 -0.00004 -0.00004 -0.00003 0.00084 -0.00035 105 7D-2 0.00008 0.00010 -0.00030 0.00010 -0.00011 106 8D 0 0.00002 0.00060 -0.00079 0.00069 0.00026 107 8D+1 0.00012 -0.00037 -0.00017 -0.00044 0.00010 108 8D-1 -0.00006 -0.00096 0.00130 -0.00057 -0.00017 109 8D+2 0.00023 -0.00070 0.00066 -0.00103 0.00004 110 8D-2 -0.00036 0.00069 0.00009 -0.00102 0.00107 111 6 Cu 1S -0.00022 -0.00067 -0.00001 0.00042 -0.00076 112 2S -0.00007 -0.00027 0.00000 0.00043 0.00076 113 3S -0.00418 -0.01199 -0.00002 0.00468 -0.01936 114 4PX 0.00839 -0.00406 0.00417 0.00036 0.00128 115 4PY 0.00554 -0.00150 0.00255 -0.00283 -0.00148 116 4PZ -0.00280 -0.00846 0.00004 0.00775 -0.00488 117 5PX 0.00611 -0.00223 0.00221 -0.00188 -0.00446 118 5PY 0.00383 -0.00199 0.00143 0.00176 0.00730 119 5PZ -0.00258 -0.00757 0.00013 0.00657 0.00226 120 6PX 0.00669 -0.00548 0.00274 0.00146 0.00092 121 6PY 0.00641 0.00234 0.00137 -0.00300 -0.00173 122 6PZ -0.00274 -0.00732 0.00036 0.00348 -0.00307 123 7D 0 -0.00004 -0.00017 -0.00001 0.00032 -0.00009 124 7D+1 0.00018 -0.00001 0.00010 -0.00007 0.00001 125 7D-1 0.00004 -0.00017 0.00008 -0.00001 0.00003 126 7D+2 -0.00039 0.00002 -0.00013 0.00004 -0.00001 127 7D-2 0.00007 -0.00028 0.00009 0.00006 -0.00004 128 8D 0 0.00021 0.00087 0.00011 -0.00152 0.00042 129 8D+1 -0.00092 0.00018 -0.00024 0.00026 -0.00025 130 8D-1 -0.00029 0.00073 -0.00031 0.00023 0.00013 131 8D+2 0.00195 -0.00002 0.00080 -0.00023 -0.00007 132 8D-2 -0.00032 0.00150 -0.00061 -0.00045 0.00000 133 7 Cu 1S -0.00064 -0.00190 0.00001 0.00160 0.00030 134 2S -0.00044 -0.00138 0.00001 0.00154 0.00201 135 3S 0.00092 0.00465 -0.00041 -0.02217 -0.08255 136 4PX 0.32184 -0.12884 0.11508 -0.10563 -0.35245 137 4PY 0.20923 -0.08718 0.07558 0.10148 0.56922 138 4PZ -0.11359 -0.34701 0.00437 0.39738 0.44458 139 5PX 0.01190 -0.00528 0.00478 -0.00430 -0.01672 140 5PY 0.00804 -0.00272 0.00318 0.00405 0.02702 141 5PZ -0.00404 -0.01255 0.00020 0.01591 0.01979 142 6PX -0.00733 0.00497 -0.00154 -0.00102 -0.00294 143 6PY -0.00613 -0.00104 -0.00106 0.00295 0.00424 144 6PZ 0.00276 0.00767 0.00013 -0.00392 0.00483 145 7D 0 0.00007 0.00021 -0.00002 -0.00014 -0.00004 146 7D+1 -0.00014 0.00018 -0.00006 -0.00009 -0.00028 147 7D-1 -0.00018 -0.00016 -0.00002 0.00013 0.00047 148 7D+2 0.00001 0.00000 0.00010 -0.00019 -0.00016 149 7D-2 0.00000 0.00007 -0.00003 -0.00030 -0.00035 150 8D 0 -0.00037 -0.00101 0.00016 0.00055 -0.00063 151 8D+1 0.00080 -0.00043 0.00056 -0.00001 0.00080 152 8D-1 0.00068 0.00007 0.00022 0.00021 -0.00148 153 8D+2 -0.00077 0.00039 -0.00066 0.00089 0.00005 154 8D-2 0.00042 -0.00037 0.00017 0.00112 0.00041 155 8 C 1S -0.00001 -0.00002 0.00000 -0.00002 -0.00007 156 2S 0.00003 0.00015 -0.00001 -0.00053 -0.00077 157 3S 0.00050 0.00092 0.00001 0.00206 0.00742 158 4PX -0.00015 -0.00002 -0.00015 0.00008 -0.00007 159 4PY -0.00003 0.00017 -0.00010 -0.00005 0.00008 160 4PZ 0.00005 0.00018 0.00000 -0.00026 0.00037 161 5PX -0.00078 0.00186 0.00005 -0.00068 0.00031 162 5PY -0.00169 -0.00200 0.00009 0.00101 -0.00037 163 5PZ 0.00032 0.00066 -0.00004 0.00039 -0.00101 164 9 O 1S 0.00001 0.00002 0.00000 0.00000 0.00002 165 2S 0.00015 0.00038 0.00000 -0.00002 0.00044 166 3S -0.00069 -0.00168 0.00001 0.00005 -0.00208 167 4PX 0.00001 -0.00001 0.00005 0.00001 0.00000 168 4PY 0.00001 0.00000 0.00002 -0.00002 -0.00001 169 4PZ -0.00001 -0.00004 0.00001 0.00001 -0.00016 170 5PX 0.00028 0.00012 -0.00015 0.00001 0.00038 171 5PY -0.00001 -0.00034 -0.00008 0.00001 -0.00065 172 5PZ -0.00006 -0.00010 -0.00001 -0.00005 0.00064 21 22 23 24 25 O O O O O EIGENVALUES -- -2.80319 -2.80306 -2.80229 -2.80212 -2.80205 1 1 Cu 1S 0.00005 0.00239 0.00132 0.00077 -0.00069 2 2S -0.00002 -0.00223 -0.00171 -0.00005 0.00170 3 3S 0.00348 0.03327 0.01419 0.00446 -0.00756 4 4PX -0.35576 0.14278 0.18150 -0.16896 0.38171 5 4PY -0.01186 0.37275 0.15363 0.04203 -0.05925 6 4PZ -0.23855 -0.34319 -0.06142 -0.15697 0.37400 7 5PX -0.00712 0.00559 0.00389 -0.00405 0.00875 8 5PY -0.00029 0.01129 0.00374 0.00228 -0.00050 9 5PZ -0.00515 -0.00953 -0.00156 -0.00315 0.00795 10 6PX 0.00203 0.00297 0.00732 0.00429 -0.00810 11 6PY 0.00068 0.00286 0.00409 0.00102 -0.00409 12 6PZ 0.00117 -0.00069 0.00086 0.00022 -0.00234 13 7D 0 -0.00074 -0.00015 0.00015 -0.00024 0.00068 14 7D+1 -0.00038 0.00062 0.00046 -0.00006 0.00004 15 7D-1 0.00048 0.00104 0.00021 0.00029 -0.00052 16 7D+2 0.00037 0.00055 0.00017 0.00026 -0.00046 17 7D-2 0.00077 -0.00051 -0.00037 0.00023 -0.00055 18 8D 0 0.00116 0.00009 -0.00016 -0.00025 0.00025 19 8D+1 0.00058 -0.00087 -0.00091 -0.00022 0.00089 20 8D-1 -0.00078 0.00022 0.00077 0.00005 -0.00101 21 8D+2 -0.00058 -0.00052 -0.00042 -0.00028 0.00015 22 8D-2 -0.00129 -0.00027 -0.00033 0.00000 0.00013 23 2 Cu 1S -0.00136 -0.00204 0.00053 0.00007 0.00088 24 2S 0.00128 0.00066 -0.00120 0.00092 -0.00077 25 3S -0.02082 -0.01782 0.00166 -0.00140 0.00761 26 4PX -0.22427 -0.19039 0.11485 -0.07565 0.02837 27 4PY -0.36578 0.05719 0.31889 0.20332 -0.20849 28 4PZ 0.30912 -0.17487 -0.34721 -0.00942 0.33814 29 5PX -0.00625 -0.00535 0.00141 -0.00014 0.00078 30 5PY -0.00861 0.00151 0.00759 0.00426 -0.00524 31 5PZ 0.00610 -0.00471 -0.00864 -0.00026 0.00764 32 6PX -0.00459 -0.00440 0.00134 -0.00198 0.00360 33 6PY 0.00246 -0.00029 -0.01029 -0.00242 0.00708 34 6PZ -0.00717 -0.00319 0.01397 0.00273 -0.00429 35 7D 0 -0.00065 -0.00010 0.00035 -0.00008 -0.00012 36 7D+1 -0.00057 0.00046 0.00047 0.00000 -0.00047 37 7D-1 0.00024 0.00025 -0.00017 -0.00002 -0.00015 38 7D+2 0.00029 0.00044 -0.00012 0.00021 -0.00013 39 7D-2 0.00083 -0.00011 -0.00044 -0.00034 0.00027 40 8D 0 0.00030 0.00011 0.00087 0.00038 -0.00091 41 8D+1 0.00059 0.00013 0.00098 0.00033 -0.00164 42 8D-1 -0.00086 -0.00125 0.00066 -0.00067 0.00073 43 8D+2 0.00005 -0.00011 0.00008 0.00051 -0.00013 44 8D-2 0.00019 0.00062 -0.00175 -0.00026 0.00083 45 3 Cu 1S 0.00188 -0.00029 0.00000 0.00014 0.00087 46 2S -0.00211 -0.00001 0.00002 0.00066 -0.00111 47 3S 0.02544 -0.00198 0.00097 0.00671 0.00367 48 4PX 0.00413 -0.40216 0.54320 -0.38134 -0.10477 49 4PY -0.20892 -0.19246 0.29415 0.55422 0.19474 50 4PZ 0.16651 -0.06112 0.07071 0.57507 0.30500 51 5PX 0.00035 -0.00929 0.01303 -0.00720 -0.00218 52 5PY -0.00518 -0.00444 0.00692 0.00969 0.00432 53 5PZ 0.00419 -0.00159 0.00178 0.01379 0.00581 54 6PX 0.00294 0.00571 -0.01888 0.00430 0.00188 55 6PY -0.00396 0.00345 -0.01015 -0.00578 -0.00485 56 6PZ 0.00736 0.00005 -0.00225 -0.00603 0.00059 57 7D 0 -0.00023 0.00014 -0.00012 -0.00153 -0.00076 58 7D+1 0.00002 0.00063 -0.00053 0.00023 0.00008 59 7D-1 0.00043 0.00022 -0.00021 -0.00003 0.00005 60 7D+2 0.00040 0.00044 -0.00046 -0.00058 -0.00013 61 7D-2 0.00033 -0.00044 0.00038 -0.00086 -0.00014 62 8D 0 0.00037 -0.00001 -0.00048 -0.00049 -0.00005 63 8D+1 -0.00073 0.00027 -0.00239 0.00040 -0.00055 64 8D-1 0.00097 0.00003 -0.00106 -0.00037 0.00054 65 8D+2 -0.00066 0.00021 -0.00142 0.00004 -0.00049 66 8D-2 -0.00122 -0.00002 0.00132 0.00011 -0.00067 67 4 Cu 1S -0.00118 0.00217 -0.00077 0.00009 0.00080 68 2S 0.00102 -0.00086 0.00150 0.00078 -0.00050 69 3S -0.01907 0.01967 -0.00508 -0.00201 0.00761 70 4PX 0.36174 -0.15583 0.27151 -0.10895 0.12920 71 4PY -0.07496 -0.19777 -0.08965 0.14783 -0.19434 72 4PZ 0.38692 0.09854 0.35707 -0.07484 0.38615 73 5PX 0.00927 -0.00395 0.00569 -0.00292 0.00301 74 5PY -0.00060 -0.00591 -0.00321 0.00230 -0.00502 75 5PZ 0.00796 0.00289 0.00856 -0.00188 0.00882 76 6PX 0.00136 -0.00227 -0.00364 0.00214 -0.00643 77 6PY 0.00482 -0.00427 0.00866 0.00010 0.00201 78 6PZ -0.00544 0.00343 -0.01364 0.00398 -0.00574 79 7D 0 -0.00043 0.00035 -0.00025 -0.00004 0.00003 80 7D+1 0.00055 0.00037 0.00026 -0.00011 0.00049 81 7D-1 0.00075 0.00005 0.00054 -0.00003 0.00037 82 7D+2 0.00075 0.00009 0.00038 -0.00033 0.00034 83 7D-2 0.00039 -0.00054 0.00021 0.00005 -0.00011 84 8D 0 0.00030 -0.00032 -0.00022 0.00036 -0.00041 85 8D+1 -0.00004 -0.00111 0.00152 0.00012 0.00077 86 8D-1 -0.00103 0.00087 0.00005 -0.00054 0.00159 87 8D+2 -0.00029 -0.00041 0.00122 -0.00051 0.00093 88 8D-2 0.00018 -0.00016 0.00043 0.00042 -0.00010 89 5 Cu 1S 0.00009 -0.00241 -0.00109 0.00095 -0.00111 90 2S -0.00005 0.00263 0.00141 -0.00028 0.00217 91 3S 0.00293 -0.03771 -0.01212 0.00659 -0.01237 92 4PX 0.22948 0.39347 0.28086 0.03520 -0.10766 93 4PY 0.29711 -0.12131 0.15702 0.14533 -0.31027 94 4PZ -0.16801 0.44722 0.03357 -0.13090 0.30145 95 5PX 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-0.00089 -0.00036 -0.00321 6 4PZ -0.00015 0.00143 0.00277 -0.00045 0.00459 7 5PX 0.00113 0.00404 0.00073 -0.00293 0.00785 8 5PY 0.00278 0.00141 -0.00077 -0.00366 0.00095 9 5PZ -0.00456 -0.00861 -0.00196 0.00356 -0.00625 10 6PX 0.00219 0.02386 -0.01175 0.00019 -0.01260 11 6PY 0.00682 -0.01957 0.01635 -0.01598 0.01137 12 6PZ -0.00147 -0.02034 0.00944 -0.00852 0.01028 13 7D 0 -0.00004 0.00113 0.00163 -0.00003 0.00415 14 7D+1 -0.00005 -0.00229 -0.00472 0.00037 -0.00756 15 7D-1 0.00005 -0.00066 -0.00187 -0.00220 -0.00916 16 7D+2 0.00000 0.00032 0.00027 0.00015 -0.00163 17 7D-2 -0.00002 0.00028 0.00031 0.00086 0.00556 18 8D 0 0.00041 0.00042 0.00032 0.00014 0.00075 19 8D+1 0.00007 -0.00059 -0.00099 0.00023 -0.00244 20 8D-1 -0.00061 -0.00033 -0.00077 -0.00059 -0.00380 21 8D+2 -0.00008 -0.00037 -0.00030 -0.00034 -0.00090 22 8D-2 0.00023 -0.00009 -0.00002 0.00001 0.00256 23 2 Cu 1S 0.00255 0.00098 -0.00116 0.00011 -0.00196 24 2S 0.00337 0.00568 0.01040 0.00010 0.02146 25 3S 0.02115 0.02993 0.00581 0.03192 0.02718 26 4PX 0.00029 -0.00151 -0.00349 -0.00040 -0.00677 27 4PY -0.00010 0.00005 -0.00013 -0.00032 -0.00022 28 4PZ 0.00004 -0.00003 -0.00046 -0.00019 -0.00104 29 5PX 0.00833 0.01104 0.00216 0.00663 0.01374 30 5PY -0.00228 -0.00078 -0.00254 -0.00049 -0.00376 31 5PZ -0.00238 -0.00344 0.00042 0.00225 0.00248 32 6PX 0.00290 0.00458 0.00186 0.01410 0.00240 33 6PY -0.00183 -0.00510 -0.00282 -0.02637 0.00638 34 6PZ 0.00118 0.01197 -0.01181 -0.01931 -0.00261 35 7D 0 0.00002 -0.00161 -0.00424 -0.00061 -0.00700 36 7D+1 0.00011 0.00024 0.00143 0.00066 0.00424 37 7D-1 -0.00004 0.00015 0.00002 -0.00049 0.00076 38 7D+2 -0.00001 0.00249 0.00659 0.00222 0.01259 39 7D-2 0.00007 -0.00034 0.00121 0.00082 0.00217 40 8D 0 -0.00044 -0.00057 -0.00095 -0.00021 -0.00182 41 8D+1 -0.00080 -0.00057 0.00080 0.00057 0.00287 42 8D-1 0.00036 0.00049 0.00011 -0.00029 -0.00014 43 8D+2 0.00055 0.00061 0.00174 0.00088 0.00373 44 8D-2 -0.00056 -0.00005 0.00121 0.00019 0.00181 45 3 Cu 1S 0.00281 0.00141 -0.00120 0.00000 -0.00223 46 2S 0.00408 0.00585 0.01127 -0.00011 0.02092 47 3S 0.04048 0.02438 0.04450 -0.00539 0.01767 48 4PX 0.00005 -0.00054 -0.00132 0.00007 -0.00221 49 4PY -0.00011 0.00121 0.00309 -0.00003 0.00507 50 4PZ 0.00008 -0.00072 -0.00252 0.00007 -0.00402 51 5PX 0.00679 0.00539 0.00433 0.00097 0.00424 52 5PY -0.01344 -0.01110 -0.00888 0.00162 -0.00845 53 5PZ 0.00253 0.00019 0.00702 -0.00074 0.00473 54 6PX 0.00289 -0.00959 0.01600 -0.00831 0.00349 55 6PY -0.00508 0.01583 -0.02669 -0.00010 -0.00727 56 6PZ -0.00012 0.02225 -0.02307 0.00170 -0.00342 57 7D 0 0.00012 -0.00044 -0.00025 -0.00013 0.00126 58 7D+1 0.00005 0.00099 0.00332 -0.00087 0.00513 59 7D-1 -0.00010 -0.00224 -0.00770 -0.00010 -0.01219 60 7D+2 0.00006 -0.00147 -0.00403 -0.00035 -0.00589 61 7D-2 0.00011 -0.00170 -0.00411 0.00052 -0.00614 62 8D 0 -0.00098 -0.00033 0.00075 -0.00005 0.00189 63 8D+1 -0.00015 -0.00020 0.00126 -0.00037 0.00183 64 8D-1 0.00030 0.00015 -0.00292 0.00002 -0.00436 65 8D+2 -0.00083 -0.00065 -0.00082 -0.00033 -0.00084 66 8D-2 -0.00125 -0.00091 -0.00050 0.00030 -0.00039 67 4 Cu 1S 0.00244 0.00083 -0.00118 -0.00016 -0.00184 68 2S 0.00315 0.00563 0.01027 0.00021 0.02147 69 3S 0.01723 0.03185 -0.00291 -0.02683 0.02721 70 4PX -0.00008 0.00077 0.00194 -0.00052 0.00402 71 4PY -0.00033 0.00130 0.00276 -0.00003 0.00545 72 4PZ -0.00001 0.00026 0.00021 0.00011 0.00026 73 5PX -0.00220 -0.00527 0.00209 0.00223 -0.00446 74 5PY -0.00642 -0.00903 -0.00149 0.00486 -0.01405 75 5PZ -0.00331 -0.00497 -0.00019 -0.00111 0.00039 76 6PX -0.00073 0.00305 0.00021 -0.01774 -0.00749 77 6PY -0.00305 -0.01317 0.00341 0.02320 0.00442 78 6PZ 0.00134 0.00731 -0.00755 0.02027 -0.00177 79 7D 0 -0.00001 -0.00152 -0.00407 0.00064 -0.00748 80 7D+1 -0.00002 0.00021 0.00083 -0.00063 0.00015 81 7D-1 -0.00010 0.00072 0.00088 0.00035 0.00090 82 7D+2 0.00004 -0.00122 -0.00131 -0.00015 -0.00232 83 7D-2 0.00003 0.00199 0.00592 -0.00261 0.01262 84 8D 0 -0.00021 -0.00045 -0.00102 0.00027 -0.00248 85 8D+1 0.00018 0.00009 0.00005 -0.00009 -0.00032 86 8D-1 0.00092 0.00089 0.00003 0.00034 -0.00119 87 8D+2 -0.00048 -0.00013 0.00050 0.00007 0.00016 88 8D-2 0.00020 0.00047 0.00186 -0.00100 0.00458 89 5 Cu 1S 0.00151 -0.00013 -0.00148 -0.00019 -0.00101 90 2S 0.00187 0.00540 0.01240 0.00135 0.02086 91 3S 0.01735 0.03365 -0.00100 0.01359 0.00262 92 4PX -0.00007 0.00041 0.00129 -0.00023 0.00329 93 4PY -0.00005 0.00059 0.00102 0.00025 -0.00004 94 4PZ -0.00015 0.00163 0.00332 0.00044 0.00518 95 5PX -0.00272 -0.00162 -0.00055 -0.00390 -0.00279 96 5PY 0.00112 -0.00214 -0.00085 -0.00043 -0.00453 97 5PZ -0.00507 -0.00885 -0.00352 -0.00394 -0.00661 98 6PX -0.00709 0.00908 -0.01085 -0.01201 -0.00481 99 6PY 0.00310 -0.02882 0.01820 0.00481 0.01549 100 6PZ -0.00302 -0.02465 0.00997 0.00506 0.01340 101 7D 0 -0.00002 0.00190 0.00335 0.00004 0.00761 102 7D+1 -0.00003 0.00128 0.00295 -0.00155 0.01069 103 7D-1 0.00008 0.00136 0.00283 0.00117 -0.00044 104 7D+2 -0.00002 -0.00003 -0.00032 0.00003 0.00371 105 7D-2 -0.00003 -0.00005 -0.00068 -0.00054 -0.00058 106 8D 0 0.00039 0.00055 0.00075 -0.00010 0.00215 107 8D+1 0.00047 0.00040 0.00090 -0.00025 0.00441 108 8D-1 -0.00056 0.00020 0.00042 0.00056 -0.00062 109 8D+2 0.00018 0.00001 -0.00010 0.00013 0.00182 110 8D-2 0.00015 -0.00046 -0.00041 0.00024 -0.00033 111 6 Cu 1S 0.00117 -0.01120 -0.00957 0.00000 -0.00551 112 2S 0.01171 0.08025 0.09190 -0.00007 0.16187 113 3S -0.12124 -0.19558 -0.04581 0.00006 -0.08841 114 4PX -0.00101 -0.01696 -0.01680 -0.00790 -0.02024 115 4PY 0.00167 0.02720 0.02731 -0.00482 0.03207 116 4PZ -0.00009 0.01448 0.00702 -0.00026 0.02468 117 5PX 0.01922 0.02375 0.01313 0.00825 0.02611 118 5PY -0.03142 -0.03891 -0.02154 0.00503 -0.04103 119 5PZ -0.00648 -0.00949 -0.00136 0.00028 -0.03607 120 6PX 0.01742 -0.02955 0.03520 0.08045 0.04283 121 6PY -0.02868 0.05145 -0.06089 0.04881 -0.06930 122 6PZ -0.00053 -0.06432 0.05978 0.00247 -0.01521 123 7D 0 -0.00080 -0.01886 -0.06079 -0.00131 -0.01117 124 7D+1 0.00041 -0.02979 -0.03139 -0.02384 -0.10140 125 7D-1 -0.00063 0.04770 0.05126 -0.01657 0.16095 126 7D+2 -0.00022 -0.02613 -0.05132 0.05741 -0.05887 127 7D-2 -0.00038 -0.05347 -0.10217 -0.02892 -0.12421 128 8D 0 -0.00299 -0.00942 -0.01616 -0.00035 -0.00605 129 8D+1 -0.00847 -0.01213 -0.00642 -0.00608 -0.03037 130 8D-1 0.01349 0.01947 0.01048 -0.00423 0.04832 131 8D+2 -0.00617 -0.01158 -0.01293 0.01544 -0.01890 132 8D-2 -0.01279 -0.02361 -0.02555 -0.00777 -0.03966 133 7 Cu 1S 0.00076 0.00071 -0.00053 0.00000 -0.00151 134 2S 0.00044 0.00439 0.01177 -0.00002 0.02506 135 3S -0.00377 -0.00883 0.01247 -0.00010 0.03136 136 4PX 0.00014 -0.00045 -0.00151 0.00005 -0.00311 137 4PY -0.00023 0.00070 0.00239 0.00003 0.00493 138 4PZ -0.00014 0.00081 0.00220 0.00000 0.00425 139 5PX 0.00087 0.00151 0.00466 0.00100 0.01061 140 5PY -0.00133 -0.00229 -0.00750 0.00064 -0.01695 141 5PZ -0.00289 -0.00621 -0.00325 0.00006 -0.01025 142 6PX -0.00157 0.00669 -0.01311 -0.03746 0.00029 143 6PY 0.00277 -0.01316 0.02308 -0.02265 0.00052 144 6PZ -0.00576 0.04635 -0.02988 -0.00110 -0.02298 145 7D 0 -0.00001 0.00017 0.00115 0.00003 0.00088 146 7D+1 -0.00007 -0.00124 -0.00349 0.00053 -0.00759 147 7D-1 0.00011 0.00196 0.00549 0.00033 0.01204 148 7D+2 -0.00005 -0.00064 -0.00163 -0.00053 -0.00397 149 7D-2 -0.00010 -0.00134 -0.00346 0.00027 -0.00834 150 8D 0 0.00015 0.00056 0.00050 0.00001 0.00022 151 8D+1 0.00020 -0.00041 -0.00159 0.00014 -0.00298 152 8D-1 -0.00030 0.00064 0.00251 0.00010 0.00471 153 8D+2 0.00022 -0.00009 -0.00054 -0.00063 -0.00166 154 8D-2 0.00044 -0.00021 -0.00120 0.00033 -0.00345 155 8 C 1S -0.11677 -0.16303 -0.03133 0.00003 -0.08144 156 2S 0.24149 0.38986 0.05174 -0.00005 0.15500 157 3S 0.06270 0.28178 0.11220 -0.00014 0.24867 158 4PX 0.12688 0.01263 -0.09463 0.34620 -0.23647 159 4PY -0.20754 -0.02178 0.13577 0.20982 0.39542 160 4PZ -0.03091 0.01800 0.39745 0.01071 -0.10613 161 5PX -0.02601 -0.03778 -0.00180 0.05285 -0.00807 162 5PY 0.04278 0.06167 -0.00001 0.03208 0.01467 163 5PZ 0.00192 0.01349 0.05760 0.00162 -0.02654 164 9 O 1S -0.21146 0.12616 -0.01722 0.00002 -0.02494 165 2S 0.46606 -0.28541 0.03170 -0.00003 0.04047 166 3S 0.31123 -0.37758 0.08412 -0.00006 0.14193 167 4PX -0.11876 -0.22451 0.12146 0.53276 0.17548 168 4PY 0.19433 0.36662 -0.22674 0.32344 -0.27181 169 4PZ 0.02763 0.06625 0.52334 0.01656 -0.33211 170 5PX 0.00888 -0.05627 0.02832 0.20396 0.03095 171 5PY -0.01460 0.09183 -0.05679 0.12380 -0.04453 172 5PZ -0.00067 0.01734 0.19954 0.00634 -0.12316 36 37 38 39 40 O O O O O EIGENVALUES -- -0.36104 -0.33859 -0.33821 -0.32763 -0.32755 1 1 Cu 1S -0.01339 -0.00152 -0.00046 -0.00254 0.00116 2 2S 0.17200 0.07020 0.05438 -0.04669 0.04312 3 3S -0.00655 0.09815 0.10139 -0.17816 0.12308 4 4PX -0.01334 0.00066 -0.01041 -0.00098 -0.01338 5 4PY -0.02737 -0.00972 -0.00909 0.00134 -0.00301 6 4PZ 0.02153 0.01461 0.00496 -0.01180 0.00056 7 5PX 0.00898 0.03056 0.01264 -0.02587 0.03067 8 5PY 0.02692 0.04659 0.04552 -0.02064 0.02058 9 5PZ -0.01883 -0.03156 -0.04343 0.04779 -0.02751 10 6PX -0.00722 0.02081 -0.03366 -0.01827 -0.01529 11 6PY -0.02946 -0.01169 -0.01734 -0.01784 0.00407 12 6PZ 0.01174 0.03720 -0.00203 0.00300 -0.01712 13 7D 0 -0.00197 0.09129 -0.02571 -0.13418 -0.10213 14 7D+1 -0.03468 -0.00414 -0.06632 0.02767 -0.11498 15 7D-1 -0.11752 -0.10779 -0.04809 0.02695 0.01392 16 7D+2 -0.03951 -0.03217 0.01977 0.02220 0.09036 17 7D-2 0.07671 -0.00670 0.09625 0.03749 0.06400 18 8D 0 -0.00072 0.03046 -0.00847 -0.04766 -0.03814 19 8D+1 -0.01179 -0.00171 -0.02231 0.00946 -0.04142 20 8D-1 -0.04162 -0.04009 -0.02103 0.00881 0.00355 21 8D+2 -0.01394 -0.01207 0.00491 0.00898 0.03242 22 8D-2 0.02701 0.00077 0.03493 0.01235 0.02161 23 2 Cu 1S -0.01299 -0.00136 0.00192 0.00167 -0.00269 24 2S 0.16433 0.10345 -0.06677 0.00454 -0.04302 25 3S -0.02908 0.14928 -0.06739 0.05977 -0.17386 26 4PX -0.03127 -0.02109 0.01351 -0.00183 0.00829 27 4PY -0.00922 -0.00054 0.00930 -0.00536 -0.00384 28 4PZ -0.01297 -0.00825 -0.00488 0.00939 0.00150 29 5PX 0.01846 0.08331 -0.03845 0.01471 -0.05448 30 5PY 0.01189 0.02472 -0.00289 0.00269 0.00931 31 5PZ 0.00975 0.02187 -0.02131 -0.01302 -0.00847 32 6PX -0.02518 -0.02990 0.01772 0.01044 -0.01847 33 6PY -0.00735 0.01401 0.03061 -0.00449 -0.01064 34 6PZ -0.01101 -0.01572 -0.03066 0.02597 -0.00822 35 7D 0 -0.03467 -0.04395 0.06997 -0.01679 0.04854 36 7D+1 0.08746 0.07714 0.07813 -0.15750 -0.01749 37 7D-1 0.00264 -0.02181 0.00651 0.01983 -0.00463 38 7D+2 0.08148 0.12470 -0.05492 0.03712 -0.04807 39 7D-2 0.06440 -0.01221 -0.10533 0.08796 0.08024 40 8D 0 -0.01219 -0.01623 0.02332 -0.00380 0.01751 41 8D+1 0.03059 0.02945 0.02503 -0.05738 -0.00749 42 8D-1 0.00071 -0.00765 0.00231 0.00760 -0.00201 43 8D+2 0.02837 0.04516 -0.02013 0.01371 -0.01608 44 8D-2 0.02279 -0.00025 -0.03694 0.03182 0.02899 45 3 Cu 1S -0.01282 0.00017 0.00249 0.00066 0.00334 46 2S 0.15908 -0.01521 -0.13673 0.00388 0.03173 47 3S -0.04383 -0.02182 -0.17064 0.02792 0.16704 48 4PX -0.00657 0.01173 0.00653 0.00825 -0.00515 49 4PY 0.01841 0.00351 -0.02005 0.00571 0.00594 50 4PZ -0.02747 0.00344 0.01848 0.00160 0.00066 51 5PX 0.00008 0.00676 -0.02515 -0.01091 0.02289 52 5PY -0.00452 0.01317 0.06214 -0.01418 -0.03963 53 5PZ 0.01733 -0.00812 -0.07548 -0.00046 0.01531 54 6PX -0.00844 0.04597 0.00660 0.01404 -0.00024 55 6PY 0.01975 0.01995 -0.02907 0.00502 -0.01189 56 6PZ -0.01829 0.00698 0.01506 0.00863 0.03276 57 7D 0 0.06433 -0.01819 0.01678 -0.02583 -0.06269 58 7D+1 0.04315 -0.10695 -0.05174 -0.06785 0.01008 59 7D-1 -0.10837 -0.02192 0.13867 -0.01136 0.00909 60 7D+2 -0.01684 -0.08397 0.06834 -0.13880 -0.02419 61 7D-2 -0.00436 0.08248 0.04322 0.08465 -0.08734 62 8D 0 0.02230 -0.00638 0.00268 -0.00892 -0.02163 63 8D+1 0.01510 -0.03571 -0.01946 -0.02359 0.00283 64 8D-1 -0.03783 -0.00632 0.05147 -0.00303 0.00428 65 8D+2 -0.00579 -0.02894 0.02349 -0.05161 -0.00767 66 8D-2 -0.00140 0.02813 0.01396 0.03167 -0.03093 67 4 Cu 1S -0.01303 0.00165 0.00159 -0.00248 -0.00185 68 2S 0.16557 -0.11081 -0.04012 -0.02097 -0.04137 69 3S -0.02445 -0.15702 -0.02898 -0.12028 -0.14556 70 4PX 0.02724 -0.01610 -0.01036 -0.00452 -0.00058 71 4PY 0.02185 -0.01757 -0.00099 -0.00095 -0.00981 72 4PZ -0.00607 0.00205 -0.00864 -0.00941 0.00409 73 5PX -0.02297 0.07362 0.00962 0.01677 0.02140 74 5PY -0.01071 0.06057 0.01755 0.02793 0.04558 75 5PZ 0.00490 -0.00706 -0.01276 0.01404 -0.00487 76 6PX 0.02288 -0.01567 -0.02589 0.01188 0.01556 77 6PY 0.01625 -0.03080 0.01295 0.01671 0.00425 78 6PZ -0.00674 0.00217 -0.03751 -0.02410 0.00656 79 7D 0 -0.05712 0.06417 0.02116 -0.00983 0.06228 80 7D+1 -0.01994 -0.01303 -0.08555 -0.07867 0.04394 81 7D-1 -0.04600 0.01995 -0.08136 -0.13668 0.04530 82 7D+2 0.03042 0.03510 -0.08209 -0.03587 0.10853 83 7D-2 0.11566 -0.13548 -0.03702 -0.03916 -0.00729 84 8D 0 -0.02000 0.02377 0.00677 -0.00544 0.02376 85 8D+1 -0.00674 -0.00417 -0.02854 -0.02729 0.01638 86 8D-1 -0.01627 0.00898 -0.02702 -0.04922 0.01738 87 8D+2 0.01096 0.00929 -0.02773 -0.01306 0.03867 88 8D-2 0.04048 -0.05115 -0.01346 -0.01413 -0.00177 89 5 Cu 1S -0.01342 0.00116 -0.00088 0.00274 0.00020 90 2S 0.17253 -0.05025 0.06775 0.06295 0.02054 91 3S -0.00509 -0.06915 0.11909 0.21607 0.04556 92 4PX 0.02577 -0.00153 0.01298 0.00257 0.00936 93 4PY -0.00681 0.00781 0.00102 0.00104 0.00972 94 4PZ 0.02633 -0.01206 0.01065 0.01236 -0.00157 95 5PX -0.02410 0.03832 -0.04661 -0.03258 -0.01669 96 5PY 0.00946 0.00076 0.02028 -0.00779 -0.00822 97 5PZ -0.02322 0.02680 -0.05637 -0.06491 -0.01123 98 6PX 0.02627 0.01584 0.03071 -0.01823 0.01587 99 6PY -0.01255 0.03135 0.01030 0.00235 0.01793 100 6PZ 0.01555 -0.03044 0.01304 -0.01249 -0.01078 101 7D 0 0.03078 -0.09453 0.02892 0.10591 -0.10645 102 7D+1 0.12524 -0.03092 0.10891 0.02329 0.08976 103 7D-1 -0.04969 0.08244 0.01041 0.03223 0.13127 104 7D+2 0.05879 0.03074 0.06335 -0.01570 0.03357 105 7D-2 -0.01281 0.03599 0.03189 -0.00076 0.08615 106 8D 0 0.01069 -0.03203 0.01079 0.03699 -0.03897 107 8D+1 0.04410 -0.01322 0.04171 0.00840 0.03363 108 8D-1 -0.01795 0.02908 -0.00011 0.01126 0.04673 109 8D+2 0.02070 0.00849 0.02378 -0.00480 0.00994 110 8D-2 -0.00445 0.01196 0.01025 -0.00098 0.03057 111 6 Cu 1S -0.00643 -0.00001 0.00045 0.00003 0.00005 112 2S 0.17709 -0.00057 -0.03138 0.00320 0.00957 113 3S 0.15725 0.00017 0.00432 -0.00010 -0.00043 114 4PX 0.03092 0.01597 -0.00945 -0.00315 -0.00040 115 4PY -0.04897 0.01007 0.01523 -0.00060 0.00311 116 4PZ -0.04021 0.00016 -0.01047 -0.00100 -0.00227 117 5PX -0.07443 0.01638 0.00384 0.00059 0.00089 118 5PY 0.11835 0.01007 -0.00614 -0.00019 -0.00099 119 5PZ 0.09036 0.00012 -0.02323 -0.00045 -0.00079 120 6PX -0.01093 0.00676 -0.01032 -0.01664 0.00235 121 6PY 0.01868 0.00469 0.01703 -0.00623 0.01124 122 6PZ -0.01892 -0.00002 -0.00636 -0.00639 -0.01543 123 7D 0 0.06727 -0.00346 0.50094 0.20881 0.44418 124 7D+1 -0.01863 -0.28379 -0.20357 0.58084 -0.05946 125 7D-1 0.02715 -0.17923 0.32162 0.18369 -0.43142 126 7D+2 0.02132 0.54473 0.12767 0.23805 -0.33186 127 7D-2 0.03973 -0.26520 0.25627 -0.33392 -0.29893 128 8D 0 0.02066 -0.00111 0.16349 0.06600 0.14039 129 8D+1 -0.00892 -0.09218 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134 2S 0.05798 -0.12633 -0.00102 0.06787 0.01804 135 3S 0.27537 -0.01484 0.00133 -0.04942 -0.00685 136 4PX -0.00308 0.00750 -0.02338 0.00525 -0.00020 137 4PY 0.00474 -0.01245 -0.01413 -0.01016 0.00006 138 4PZ 0.01026 0.00899 -0.00074 0.01873 0.00097 139 5PX 0.04674 -0.02317 0.02461 -0.00193 0.00162 140 5PY -0.07415 0.03715 0.01490 0.00509 -0.00369 141 5PZ -0.06066 0.01124 0.00081 -0.02572 -0.00135 142 6PX 0.00779 0.01760 -0.07063 0.01437 -0.00099 143 6PY -0.01258 -0.02869 -0.04278 -0.02865 0.00432 144 6PZ 0.00683 0.02051 -0.00267 0.07151 0.00048 145 7D 0 0.06061 0.26118 -0.00868 0.29090 0.23632 146 7D+1 -0.03832 -0.17824 -0.21873 0.00289 0.02705 147 7D-1 0.05909 0.25766 -0.14556 -0.03366 -0.25734 148 7D+2 -0.00145 -0.02752 0.36684 0.15628 -0.17857 149 7D-2 -0.00437 -0.05144 -0.19180 0.30384 -0.18462 150 8D 0 0.02033 0.08689 -0.00282 0.09608 0.08077 151 8D+1 -0.01625 -0.05928 -0.07219 0.00109 0.00919 152 8D-1 0.02522 0.08551 -0.04810 -0.01148 -0.08800 153 8D+2 -0.00239 -0.00937 0.12194 0.05218 -0.06147 154 8D-2 -0.00545 -0.01737 -0.06383 0.10158 -0.06363 155 8 C 1S 0.02326 0.00543 0.00013 -0.00747 -0.00125 156 2S -0.04498 -0.01813 -0.00037 0.02232 0.00436 157 3S -0.11344 0.02587 0.00015 -0.01656 -0.00649 158 4PX 0.04120 0.00963 0.01638 -0.01430 -0.00206 159 4PY -0.06799 -0.01546 0.00940 0.02482 0.00436 160 4PZ -0.00055 -0.01238 0.00049 -0.01492 -0.00160 161 5PX 0.00999 -0.02614 0.02452 0.00856 0.00328 162 5PY -0.01628 0.04264 0.01548 -0.01172 -0.00222 163 5PZ -0.00778 0.00194 0.00102 -0.03169 -0.00750 164 9 O 1S -0.00433 -0.00133 -0.00003 0.00124 0.00021 165 2S 0.01383 0.00138 0.00006 -0.00359 -0.00065 166 3S 0.01364 0.01707 0.00021 -0.00280 -0.00020 167 4PX -0.03495 -0.00626 -0.03632 0.00850 0.00027 168 4PY 0.05762 0.00953 -0.02164 -0.01697 -0.00352 169 4PZ 0.00764 0.02425 -0.00112 0.03502 0.00562 170 5PX -0.01162 0.00072 -0.02553 0.00143 -0.00089 171 5PY 0.01918 -0.00149 -0.01542 -0.00443 -0.00084 172 5PZ 0.00385 0.01298 -0.00085 0.02538 0.00447 46 47 48 49 50 O O O O O EIGENVALUES -- -0.30733 -0.30145 -0.29199 -0.29180 -0.29149 1 1 Cu 1S 0.00297 -0.00191 0.00051 -0.00077 -0.00047 2 2S 0.03383 -0.03262 -0.05438 0.05235 -0.00514 3 3S 0.12075 -0.09579 -0.07516 0.02488 -0.10351 4 4PX 0.00389 0.00155 -0.00707 -0.00842 0.00539 5 4PY -0.00788 -0.00143 0.00335 -0.00316 0.00228 6 4PZ 0.00225 -0.00292 -0.00925 0.00042 0.00611 7 5PX -0.00537 -0.00363 0.02217 0.02542 -0.01940 8 5PY 0.04504 -0.01402 -0.02069 0.01241 -0.02280 9 5PZ -0.00873 0.01022 0.02874 0.00184 -0.01249 10 6PX 0.01103 -0.00573 -0.02228 -0.00865 0.00496 11 6PY 0.00554 -0.01973 -0.00163 -0.01292 -0.02396 12 6PZ -0.00234 0.01058 -0.00478 -0.00604 0.02487 13 7D 0 -0.03999 -0.04675 -0.10198 0.10373 0.20561 14 7D+1 0.06715 -0.22173 -0.19039 0.24524 0.18571 15 7D-1 -0.09250 0.04629 0.00431 0.03442 -0.10049 16 7D+2 -0.09597 -0.23737 -0.08638 0.18610 0.08005 17 7D-2 -0.09922 -0.06709 0.08186 0.08664 0.00749 18 8D 0 -0.01419 -0.01511 -0.03251 0.03712 0.06892 19 8D+1 0.02145 -0.07614 -0.06302 0.08247 0.06048 20 8D-1 -0.03271 0.01574 0.00017 0.01206 -0.03285 21 8D+2 -0.03305 -0.08018 -0.02965 0.06068 0.02622 22 8D-2 -0.03527 -0.02280 0.02640 0.02922 0.00444 23 2 Cu 1S -0.00181 -0.00173 0.00111 0.00025 -0.00026 24 2S -0.03420 -0.03359 -0.05921 -0.02919 0.04500 25 3S -0.09843 -0.08100 0.00657 -0.04492 0.08639 26 4PX 0.00372 0.00291 0.00675 0.00361 -0.00333 27 4PY 0.01194 -0.00252 -0.00353 0.01053 -0.00009 28 4PZ -0.00392 -0.00224 0.00379 -0.00947 -0.00379 29 5PX -0.02425 -0.01026 -0.01460 -0.01321 0.01787 30 5PY -0.02857 -0.00769 0.01073 -0.03619 0.00849 31 5PZ -0.01041 -0.00547 -0.01183 0.02389 0.01731 32 6PX -0.00398 -0.01828 0.01269 -0.00289 0.01268 33 6PY 0.02150 -0.00962 0.00972 0.02142 0.00989 34 6PZ -0.01685 -0.00993 0.02023 -0.02333 -0.00481 35 7D 0 0.22261 -0.05396 -0.11462 -0.02040 -0.00534 36 7D+1 0.08469 0.04573 0.09053 0.29505 0.17348 37 7D-1 -0.02348 0.35621 0.40895 0.03070 -0.11644 38 7D+2 0.16153 0.01846 0.03440 -0.00579 -0.16278 39 7D-2 -0.22613 -0.00905 -0.01438 -0.22360 -0.20201 40 8D 0 0.07998 -0.01912 -0.03844 -0.00983 -0.00414 41 8D+1 0.02778 0.01489 0.03158 0.09751 0.05851 42 8D-1 -0.00846 0.12076 0.13555 0.01015 -0.03926 43 8D+2 0.05620 0.00738 0.01010 -0.00290 -0.05675 44 8D-2 -0.07655 -0.00395 -0.00526 -0.07299 -0.06813 45 3 Cu 1S -0.00030 -0.00159 -0.00011 0.00122 -0.00015 46 2S -0.00872 -0.03411 0.00481 -0.05982 0.01048 47 3S -0.02017 -0.07573 -0.00520 0.02518 0.00480 48 4PX -0.01243 0.00224 -0.01408 0.00201 0.00319 49 4PY -0.00644 -0.00393 -0.00670 -0.00673 0.00271 50 4PZ 0.00000 -0.00186 -0.00184 0.00301 -0.00029 51 5PX 0.01122 0.00002 0.04201 -0.00392 -0.01215 52 5PY 0.00913 0.00348 0.02061 0.01429 -0.00913 53 5PZ -0.00548 -0.01193 0.00451 -0.00324 0.00101 54 6PX -0.03094 -0.00245 -0.02987 -0.00288 0.00350 55 6PY -0.01485 0.00957 -0.01495 -0.00713 0.00168 56 6PZ -0.00363 -0.02128 -0.00684 0.02901 -0.00211 57 7D 0 0.05835 0.26196 -0.00098 0.32333 -0.04114 58 7D+1 0.37443 -0.11501 0.18101 -0.10780 0.02407 59 7D-1 0.18429 0.05966 0.03935 0.04095 -0.02790 60 7D+2 0.02165 -0.11902 0.29500 -0.11044 0.26721 61 7D-2 -0.09023 -0.19794 -0.18381 -0.30556 -0.12808 62 8D 0 0.02052 0.08768 -0.00103 0.10783 -0.01406 63 8D+1 0.13031 -0.03874 0.05698 -0.03639 0.00667 64 8D-1 0.06484 0.01982 0.01130 0.01349 -0.01043 65 8D+2 0.00450 -0.04128 0.09833 -0.03550 0.09242 66 8D-2 -0.02885 -0.06837 -0.06097 -0.10082 -0.04492 67 4 Cu 1S 0.00202 -0.00178 -0.00110 0.00009 0.00016 68 2S 0.03118 -0.03326 0.06513 -0.02741 -0.03867 69 3S 0.10212 -0.08384 0.00939 -0.06569 -0.08340 70 4PX 0.01042 0.00076 0.00320 -0.00872 -0.00018 71 4PY -0.00342 -0.00344 0.00704 0.00450 -0.00419 72 4PZ 0.00438 -0.00244 -0.00095 -0.01018 0.00644 73 5PX -0.03999 0.01359 -0.00860 0.03540 0.01222 74 5PY -0.00263 0.00517 -0.01702 -0.01247 0.01541 75 5PZ 0.00523 -0.00244 0.00557 0.02645 -0.02278 76 6PX 0.00976 0.01967 0.01867 -0.00381 0.01918 77 6PY -0.01444 0.01036 0.00274 0.01850 0.00123 78 6PZ 0.01393 -0.00547 -0.01150 -0.02424 0.01432 79 7D 0 -0.16477 -0.12293 0.22537 -0.06432 0.06460 80 7D+1 0.10524 -0.27974 0.36017 -0.12491 0.09545 81 7D-1 0.06526 0.17761 -0.14276 -0.17791 0.25694 82 7D+2 0.23868 0.05205 -0.01891 -0.15512 0.18044 83 7D-2 -0.06632 0.01216 -0.02681 0.01200 0.17975 84 8D 0 -0.06017 -0.04223 0.07629 -0.02315 0.02420 85 8D+1 0.03598 -0.09447 0.11995 -0.04012 0.03077 86 8D-1 0.02226 0.06107 -0.04603 -0.05793 0.08617 87 8D+2 0.08156 0.01649 -0.00646 -0.05016 0.05955 88 8D-2 -0.02362 0.00463 -0.00777 0.00427 0.06241 89 5 Cu 1S -0.00322 -0.00195 -0.00037 -0.00069 0.00069 90 2S -0.03685 -0.03238 0.04430 0.06141 -0.01235 91 3S -0.12532 -0.09755 0.06597 0.06429 0.09346 92 4PX -0.00476 0.00075 -0.00400 0.00761 0.00340 93 4PY 0.00715 -0.00183 -0.00918 0.00395 0.00193 94 4PZ -0.00139 -0.00290 0.00759 0.00254 -0.00534 95 5PX 0.03442 0.01215 0.00528 -0.03071 -0.02289 96 5PY -0.03002 -0.00538 0.03390 -0.00761 0.00045 97 5PZ 0.01022 0.01230 -0.02494 -0.00741 0.00769 98 6PX 0.01105 0.01754 -0.01587 0.00924 -0.01800 99 6PY 0.00419 -0.00778 -0.01770 0.00168 0.01853 100 6PZ 0.00940 0.01310 0.00138 -0.00899 -0.02406 101 7D 0 0.06575 0.01421 0.02066 -0.00891 -0.12331 102 7D+1 -0.00989 0.06796 -0.09880 -0.16102 0.10312 103 7D-1 0.09342 0.15938 -0.11772 -0.12222 0.24163 104 7D+2 0.04516 0.02850 -0.10724 0.01316 0.03341 105 7D-2 0.09115 -0.28411 0.06383 0.22406 -0.22315 106 8D 0 0.02227 0.00574 0.00508 -0.00150 -0.04220 107 8D+1 -0.00441 0.02324 -0.03258 -0.05534 0.03408 108 8D-1 0.03126 0.05476 -0.03760 -0.04167 0.07949 109 8D+2 0.01637 0.00953 -0.03540 0.00499 0.00933 110 8D-2 0.03206 -0.09626 0.02238 0.07402 -0.07414 111 6 Cu 1S 0.00015 0.00030 0.00001 0.00048 -0.00006 112 2S 0.00064 0.01863 -0.00020 -0.00596 0.00093 113 3S 0.01403 0.11419 -0.00051 -0.00595 0.00105 114 4PX -0.00016 -0.00512 -0.00822 -0.00188 0.00287 115 4PY -0.00075 0.00818 -0.00491 0.00433 0.00088 116 4PZ -0.00050 0.00395 -0.00038 -0.00786 0.00140 117 5PX -0.01183 0.03689 0.00608 0.00162 0.00433 118 5PY 0.00435 -0.05891 0.00377 -0.00306 0.00165 119 5PZ 0.00134 -0.03102 0.00034 0.00682 0.00017 120 6PX -0.00963 -0.00394 -0.01929 -0.00649 0.00413 121 6PY -0.00423 0.00591 -0.01124 0.01228 0.00009 122 6PZ -0.00165 0.00808 -0.00105 -0.01470 0.00207 123 7D 0 0.01989 0.01225 0.00318 -0.00636 0.05288 124 7D+1 0.11204 0.06869 0.03250 0.05845 0.19991 125 7D-1 0.03949 -0.10842 0.01215 -0.06681 0.09721 126 7D+2 0.07733 0.04667 0.12480 -0.05636 0.08356 127 7D-2 -0.08456 0.09616 -0.07103 -0.11698 -0.07665 128 8D 0 0.00613 0.00404 0.00079 -0.00469 0.01584 129 8D+1 0.03514 0.02189 0.00778 0.01740 0.05841 130 8D-1 0.01233 -0.03456 0.00243 -0.01978 0.02862 131 8D+2 0.02474 0.01490 0.03876 -0.01744 0.02348 132 8D-2 -0.02703 0.03071 -0.02193 -0.03570 -0.02146 133 7 Cu 1S 0.00012 0.00364 -0.00002 -0.00001 0.00002 134 2S -0.00381 0.08839 -0.00013 -0.00174 0.00042 135 3S 0.00331 0.35342 -0.00114 -0.00298 0.00201 136 4PX -0.00194 -0.00234 0.00181 0.00045 -0.00054 137 4PY -0.00053 0.00370 0.00107 -0.00100 -0.00011 138 4PZ -0.00096 0.00520 0.00007 0.00169 -0.00026 139 5PX -0.00020 0.03210 -0.03199 -0.00813 0.01546 140 5PY -0.00005 -0.05084 -0.01888 0.01859 0.00438 141 5PZ 0.00072 -0.05033 -0.00125 -0.02926 0.00587 142 6PX -0.00067 0.02289 0.03626 0.00933 -0.01456 143 6PY 0.00008 -0.03587 0.02161 -0.02060 -0.00430 144 6PZ -0.00233 -0.02372 0.00180 0.03224 -0.00643 145 7D 0 -0.09363 0.02118 0.01361 0.19410 0.02023 146 7D+1 -0.33088 0.07666 0.16769 0.01679 0.19311 147 7D-1 -0.12662 -0.12107 0.10007 -0.02162 0.06760 148 7D+2 -0.16018 0.05058 -0.01808 -0.01200 0.16840 149 7D-2 0.16129 0.10651 0.00007 -0.06136 -0.14831 150 8D 0 -0.03187 0.00719 0.00456 0.06563 0.00669 151 8D+1 -0.11321 0.02558 0.05654 0.00549 0.06467 152 8D-1 -0.04324 -0.04042 0.03377 -0.00715 0.02259 153 8D+2 -0.05527 0.01688 -0.00635 -0.00405 0.05659 154 8D-2 0.05568 0.03558 0.00019 -0.02063 -0.04980 155 8 C 1S 0.00042 -0.00844 0.00004 0.00123 -0.00023 156 2S -0.00134 0.02511 -0.00012 -0.00278 0.00057 157 3S 0.00150 -0.01413 0.00005 -0.00306 0.00010 158 4PX 0.00314 -0.01528 0.01026 0.00217 -0.00155 159 4PY -0.00002 0.02530 0.00604 -0.00489 0.00013 160 4PZ 0.00122 -0.00157 0.00056 0.01200 -0.00141 161 5PX 0.00477 0.00138 0.00694 0.00255 -0.00316 162 5PY 0.00325 -0.00237 0.00400 -0.00491 -0.00077 163 5PZ 0.00278 0.00309 0.00039 0.00479 -0.00105 164 9 O 1S -0.00006 0.00165 0.00000 -0.00008 0.00002 165 2S 0.00023 -0.00643 0.00003 0.00028 -0.00013 166 3S -0.00016 0.00183 -0.00009 -0.00133 0.00037 167 4PX -0.00680 0.01174 -0.02037 -0.00059 0.00167 168 4PY -0.00284 -0.01954 -0.01223 0.00332 0.00038 169 4PZ -0.00322 0.00137 -0.00116 -0.02407 0.00260 170 5PX -0.00427 0.00067 -0.01146 -0.00007 0.00158 171 5PY -0.00236 -0.00109 -0.00693 0.00146 0.00086 172 5PZ -0.00221 -0.00184 -0.00065 -0.01260 0.00156 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29118 -0.27969 -0.27916 -0.27908 -0.27879 1 1 Cu 1S -0.00048 -0.00117 -0.00049 -0.00044 -0.00084 2 2S 0.02617 -0.01978 0.01591 -0.00126 -0.00220 3 3S -0.01992 -0.11270 0.00914 -0.02262 -0.05205 4 4PX -0.00738 0.00069 -0.00098 0.00499 0.00107 5 4PY -0.00132 0.00055 -0.00405 -0.00195 -0.00156 6 4PZ -0.00112 -0.00226 -0.00335 0.00013 -0.00176 7 5PX 0.01939 -0.01171 0.01322 -0.02469 -0.00157 8 5PY -0.00012 -0.00734 0.00525 -0.00356 -0.00205 9 5PZ 0.00437 0.02374 0.01011 -0.01177 0.01407 10 6PX -0.01894 -0.01609 0.01103 -0.00749 -0.00461 11 6PY -0.01544 -0.00138 0.01580 0.00889 0.00635 12 6PZ -0.00527 0.02949 -0.00541 -0.00668 0.01007 13 7D 0 -0.28643 0.08790 -0.04676 -0.27030 0.18168 14 7D+1 0.00488 -0.02552 0.18522 0.04330 0.14772 15 7D-1 -0.01014 -0.13566 0.19387 0.02234 0.23077 16 7D+2 0.35826 0.22320 -0.08226 0.10835 -0.06480 17 7D-2 0.09853 -0.01661 -0.16976 -0.18339 0.20467 18 8D 0 -0.09694 0.02738 -0.01711 -0.08999 0.06099 19 8D+1 0.00025 -0.00845 0.06273 0.01573 0.05070 20 8D-1 -0.00544 -0.04531 0.06555 0.00869 0.07775 21 8D+2 0.12063 0.07322 -0.02609 0.03590 -0.02275 22 8D-2 0.02988 -0.00603 -0.05792 -0.06098 0.06799 23 2 Cu 1S 0.00036 0.00067 -0.00049 -0.00082 0.00091 24 2S 0.00604 0.01531 0.00411 -0.00175 0.02357 25 3S 0.08912 0.06922 -0.02888 -0.03508 0.10261 26 4PX 0.00138 -0.00230 -0.00030 0.00236 -0.00268 27 4PY 0.00226 0.00069 0.00341 -0.00249 0.00183 28 4PZ -0.00560 0.00066 -0.00298 -0.00405 -0.00149 29 5PX 0.00576 0.01681 -0.01237 -0.00589 0.02382 30 5PY -0.00074 -0.00373 -0.01451 -0.00962 -0.00817 31 5PZ 0.02662 0.00274 0.02647 0.00424 0.00877 32 6PX 0.02236 0.01613 -0.01596 0.00894 0.02671 33 6PY 0.01526 -0.00875 -0.00352 0.00733 -0.01052 34 6PZ 0.00529 -0.00447 0.00890 0.01253 -0.00106 35 7D 0 0.07420 0.28298 0.11487 0.29294 -0.05776 36 7D+1 -0.07372 -0.05483 -0.18930 -0.11718 0.01031 37 7D-1 0.19379 0.14387 -0.04043 0.03575 0.17078 38 7D+2 0.02802 0.15128 0.27746 -0.25080 -0.16530 39 7D-2 0.03872 0.05351 0.04518 0.07201 0.03449 40 8D 0 0.02653 0.09448 0.03728 0.09851 -0.02049 41 8D+1 -0.02634 -0.01963 -0.06233 -0.03950 0.00364 42 8D-1 0.06424 0.04741 -0.01282 0.01119 0.05555 43 8D+2 0.00930 0.05197 0.09165 -0.08578 -0.05491 44 8D-2 0.01449 0.01829 0.01515 0.02387 0.01020 45 3 Cu 1S 0.00018 0.00011 0.00097 0.00017 -0.00097 46 2S -0.05167 0.00299 0.02338 0.00086 -0.01797 47 3S -0.12920 0.01155 0.08150 0.01301 -0.10359 48 4PX 0.00069 -0.00045 -0.00280 0.00461 0.00112 49 4PY -0.00105 0.00031 0.00486 0.00265 -0.00106 50 4PZ 0.00503 -0.00005 0.00136 0.00058 0.00146 51 5PX -0.00241 0.00800 0.00258 -0.02763 -0.01543 52 5PY 0.00776 0.00178 -0.00840 -0.01893 0.02352 53 5PZ -0.03439 0.00233 0.01512 -0.00297 -0.00772 54 6PX -0.00448 0.00175 0.00476 -0.00767 -0.01683 55 6PY 0.01477 -0.00214 -0.00640 -0.00939 0.03129 56 6PZ -0.01784 -0.00021 -0.01074 -0.00076 -0.00973 57 7D 0 0.02646 0.06743 -0.03189 0.02272 -0.23984 58 7D+1 0.03529 0.24332 0.04707 -0.05088 0.15955 59 7D-1 -0.10603 0.17092 -0.18308 -0.03279 -0.19970 60 7D+2 -0.04186 -0.28994 -0.15241 0.20480 -0.06578 61 7D-2 -0.05861 0.14199 -0.22675 -0.12180 -0.06240 62 8D 0 0.00911 0.02234 -0.01090 0.00751 -0.07784 63 8D+1 0.01213 0.08111 0.01636 -0.01598 0.05266 64 8D-1 -0.03637 0.05701 -0.06258 -0.01036 -0.06621 65 8D+2 -0.01435 -0.09802 -0.05179 0.06676 -0.02227 66 8D-2 -0.02037 0.04815 -0.07691 -0.03976 -0.02089 67 4 Cu 1S 0.00043 -0.00085 -0.00041 0.00062 0.00101 68 2S -0.00200 -0.01673 0.00598 -0.00650 0.02013 69 3S 0.07882 -0.08398 -0.01922 0.00873 0.09822 70 4PX -0.00186 -0.00081 -0.00197 -0.00187 -0.00030 71 4PY -0.00006 -0.00222 0.00270 0.00221 0.00357 72 4PZ -0.00525 -0.00134 -0.00309 0.00428 -0.00034 73 5PX -0.00517 0.00926 0.01302 -0.00644 -0.00879 74 5PY -0.00516 0.01869 -0.00324 0.00542 -0.02178 75 5PZ 0.02250 0.00365 0.02919 -0.00713 0.00378 76 6PX -0.02450 0.00249 0.00948 0.01501 -0.00215 77 6PY -0.01023 0.02194 0.00711 0.01055 -0.02359 78 6PZ 0.00130 0.00875 0.01098 -0.00878 -0.00620 79 7D 0 0.05775 -0.21730 0.22042 -0.26307 -0.18292 80 7D+1 -0.13945 0.18319 0.08081 0.07482 -0.07895 81 7D-1 0.19688 -0.08738 0.17387 -0.02888 0.04474 82 7D+2 0.08517 -0.05049 -0.05632 -0.18088 0.08070 83 7D-2 0.04630 -0.10528 0.24486 0.25963 -0.09760 84 8D 0 0.02187 -0.07316 0.07232 -0.08852 -0.06229 85 8D+1 -0.04565 0.05973 0.02654 0.02429 -0.02553 86 8D-1 0.06647 -0.03012 0.05783 -0.00885 0.01432 87 8D+2 0.02974 -0.01628 -0.01832 -0.06045 0.02531 88 8D-2 0.01594 -0.03648 0.08114 0.08869 -0.03249 89 5 Cu 1S -0.00040 0.00118 -0.00064 0.00062 -0.00054 90 2S 0.02304 0.02203 0.01325 -0.00048 0.00014 91 3S -0.01334 0.11801 -0.00641 0.03029 -0.03044 92 4PX 0.00602 0.00087 0.00435 0.00086 0.00131 93 4PY 0.00624 -0.00008 -0.00133 0.00546 -0.00033 94 4PZ -0.00061 0.00217 -0.00306 0.00077 -0.00140 95 5PX -0.01443 -0.00948 -0.01176 -0.01738 -0.00550 96 5PY -0.01831 -0.00353 -0.00769 -0.01975 -0.00615 97 5PZ 0.00326 -0.02624 0.01032 0.00332 0.01210 98 6PX 0.02316 -0.00642 -0.01707 0.00265 -0.00476 99 6PY 0.01060 -0.00963 0.00197 -0.01313 0.00224 100 6PZ -0.00303 -0.03379 -0.00482 0.00390 0.00700 101 7D 0 -0.27274 -0.14744 -0.12869 0.23819 0.13215 102 7D+1 0.13828 -0.09377 -0.25195 0.04789 -0.27491 103 7D-1 0.14279 0.02457 -0.04154 -0.05399 -0.04120 104 7D+2 -0.03791 0.07352 -0.09965 0.14216 0.31471 105 7D-2 0.32924 -0.21157 -0.07518 -0.04524 0.01112 106 8D 0 -0.09162 -0.04759 -0.04502 0.07989 0.04418 107 8D+1 0.04824 -0.03176 -0.08496 0.01796 -0.09287 108 8D-1 0.04785 0.00837 -0.01355 -0.01740 -0.01458 109 8D+2 -0.01652 0.02431 -0.03470 0.04679 0.10520 110 8D-2 0.10947 -0.06904 -0.02440 -0.01493 0.00304 111 6 Cu 1S 0.00012 -0.00006 -0.00054 0.00006 -0.00012 112 2S -0.00176 0.00099 0.01557 -0.00227 0.00556 113 3S -0.00091 0.00208 0.03201 -0.00462 0.01192 114 4PX -0.00017 0.00386 0.00660 -0.02185 0.00023 115 4PY 0.00163 0.00106 -0.01595 -0.01057 -0.00693 116 4PZ -0.00297 0.00120 0.01666 -0.00265 0.00545 117 5PX -0.00158 -0.01599 -0.02805 0.09165 -0.00060 118 5PY 0.00557 -0.00403 0.06744 0.04461 0.02831 119 5PZ -0.00254 -0.00488 -0.06937 0.01118 -0.02269 120 6PX -0.00167 0.00690 0.00757 -0.03650 -0.00135 121 6PY 0.00556 0.00225 -0.02100 -0.01896 -0.00972 122 6PZ -0.00548 0.00207 0.02649 -0.00444 0.00974 123 7D 0 -0.16949 -0.00017 0.24999 -0.05042 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-0.00198 -0.01764 -0.03758 10 6PX 0.00016 0.00193 -0.00421 -0.00023 0.00926 11 6PY -0.00050 0.00231 0.01011 0.00986 0.02563 12 6PZ 0.00236 0.00028 0.00330 -0.00957 -0.01721 13 7D 0 0.13768 0.13685 -0.00836 -0.04517 0.07094 14 7D+1 0.03943 -0.00975 -0.21224 -0.01530 0.06429 15 7D-1 -0.16235 0.21122 0.17112 0.21358 0.44850 16 7D+2 0.04081 -0.12067 0.14705 0.06599 0.07993 17 7D-2 0.09472 -0.15140 -0.18344 -0.06751 -0.21300 18 8D 0 0.04481 0.04439 -0.00212 -0.01423 0.02305 19 8D+1 0.01233 -0.00307 -0.06928 -0.00504 0.02022 20 8D-1 -0.05267 0.06908 0.05661 0.06898 0.14493 21 8D+2 0.01335 -0.03864 0.04843 0.02131 0.02608 22 8D-2 0.03092 -0.04938 -0.06020 -0.02218 -0.06857 23 2 Cu 1S -0.00203 -0.00276 -0.00034 -0.00084 -0.00063 24 2S 0.06091 0.07756 0.02789 -0.00697 -0.00396 25 3S 0.01733 0.02258 0.02010 -0.12226 -0.08029 26 4PX -0.00675 -0.01209 0.00002 0.00603 0.00285 27 4PY -0.00484 -0.00078 -0.00443 0.00206 0.00465 28 4PZ -0.00155 -0.00313 -0.00454 0.00350 0.00167 29 5PX 0.00720 0.02803 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0.01302 -0.02166 0.02312 -0.11402 0.09377 70 4PX 0.00620 -0.00848 0.00502 -0.00515 0.00637 71 4PY 0.00109 -0.01018 -0.00099 -0.00435 0.00040 72 4PZ 0.00052 0.00029 -0.00380 0.00202 -0.00089 73 5PX -0.00883 0.02247 -0.02585 0.04007 -0.03646 74 5PY -0.00060 0.01962 0.02102 0.02846 -0.01284 75 5PZ 0.01956 0.00205 0.01057 -0.00526 0.01576 76 6PX -0.00259 0.00690 -0.00843 0.02356 -0.01513 77 6PY 0.00035 0.00025 0.00466 0.01263 -0.01006 78 6PZ 0.00584 -0.00257 0.00436 -0.00286 0.00777 79 7D 0 0.04406 -0.02899 -0.13760 -0.20234 0.09975 80 7D+1 0.06571 0.14245 0.02883 0.01867 0.06211 81 7D-1 0.21771 -0.25852 -0.00388 -0.17354 0.20447 82 7D+2 -0.02796 0.15878 -0.23208 0.17172 -0.12759 83 7D-2 -0.05624 0.32519 -0.13322 0.31285 -0.19489 84 8D 0 0.01461 -0.00965 -0.04414 -0.06494 0.03170 85 8D+1 0.02142 0.04587 0.00924 0.00595 0.01940 86 8D-1 0.07091 -0.08432 -0.00046 -0.05642 0.06610 87 8D+2 -0.00969 0.05202 -0.07580 0.05556 -0.04147 88 8D-2 -0.01918 0.10623 -0.04398 0.10067 -0.06220 89 5 Cu 1S 0.00184 0.00179 -0.00227 0.00013 -0.00092 90 2S -0.03402 -0.04171 0.07407 0.00627 -0.00760 91 3S 0.00597 -0.00490 0.02666 0.03955 -0.13815 92 4PX -0.00333 -0.00195 0.00700 0.00320 -0.00432 93 4PY -0.00250 0.00129 -0.00235 0.00141 0.00226 94 4PZ -0.00615 -0.00633 0.00623 0.00120 -0.00656 95 5PX -0.00291 0.01475 -0.01758 -0.00887 0.03492 96 5PY 0.00717 0.01177 0.02103 0.00434 -0.01127 97 5PZ 0.02361 0.00578 -0.00367 -0.01496 0.04632 98 6PX 0.00017 0.00265 -0.00678 -0.00367 0.02319 99 6PY -0.00044 0.00072 0.00880 0.00585 -0.00911 100 6PZ 0.00244 -0.00009 0.00334 -0.00804 0.02228 101 7D 0 0.13661 -0.11245 0.04753 -0.07151 0.04518 102 7D+1 0.11998 0.21121 -0.08493 -0.10354 0.46006 103 7D-1 -0.14834 -0.02511 0.29429 0.13119 -0.22822 104 7D+2 0.05374 0.01694 -0.17267 -0.02695 0.13191 105 7D-2 0.11588 0.14712 0.00150 0.02982 -0.00049 106 8D 0 0.04471 -0.03635 0.01596 -0.02277 0.01426 107 8D+1 0.03930 0.06894 -0.02850 -0.03358 0.14843 108 8D-1 -0.04782 -0.00846 0.09650 0.04233 -0.07424 109 8D+2 0.01761 0.00566 -0.05671 -0.00904 0.04254 110 8D-2 0.03762 0.04742 0.00087 0.00946 -0.00032 111 6 Cu 1S 0.00129 -0.00001 0.00180 -0.00005 0.00003 112 2S 0.01431 -0.00010 0.01209 -0.00016 0.00010 113 3S 0.06902 -0.00123 0.11512 0.00152 0.00042 114 4PX 0.01357 0.02222 0.00745 0.00001 -0.00176 115 4PY -0.02224 0.01383 -0.01085 0.00046 -0.00121 116 4PZ 0.00722 0.00064 -0.02639 -0.00082 -0.00022 117 5PX -0.03941 -0.08584 -0.00889 -0.00065 0.01341 118 5PY 0.06504 -0.05322 0.01011 0.00117 0.00699 119 5PZ -0.03754 -0.00242 0.08526 0.00071 0.00175 120 6PX -0.01518 -0.02191 -0.00491 -0.00006 0.00015 121 6PY 0.02523 -0.01362 0.00700 -0.00030 0.00011 122 6PZ -0.01625 -0.00058 0.01899 -0.00005 0.00038 123 7D 0 -0.01323 0.00170 -0.06993 -0.03937 0.00882 124 7D+1 -0.10257 0.02261 -0.13845 -0.00605 0.03722 125 7D-1 0.16329 0.01178 0.22090 0.04502 0.01084 126 7D+2 -0.06135 -0.03657 -0.10993 0.03772 0.05507 127 7D-2 -0.12814 0.02000 -0.22540 0.04112 -0.04795 128 8D 0 -0.00326 0.00058 -0.02440 -0.01011 0.00203 129 8D+1 -0.03135 0.00812 -0.04124 -0.00169 0.00874 130 8D-1 0.04993 0.00443 0.06595 0.01190 0.00223 131 8D+2 -0.01838 -0.01374 -0.03458 0.01011 0.01586 132 8D-2 -0.03840 0.00739 -0.07067 0.01098 -0.01353 133 7 Cu 1S -0.00342 0.00006 -0.00498 -0.00006 -0.00003 134 2S 0.02185 -0.00024 0.02915 -0.00067 0.00055 135 3S -0.12051 0.00214 -0.17973 -0.00233 -0.00072 136 4PX 0.00444 0.01207 -0.00110 -0.00011 -0.00054 137 4PY -0.00751 0.00739 0.00212 0.00078 -0.00046 138 4PZ 0.01119 0.00026 -0.00321 -0.00075 0.00009 139 5PX -0.02744 -0.03079 -0.01855 0.00027 -0.00166 140 5PY 0.04475 -0.01939 0.02854 -0.00316 0.00011 141 5PZ -0.00985 -0.00100 0.03498 0.00363 -0.00064 142 6PX -0.00758 -0.00363 -0.00932 0.00013 0.00087 143 6PY 0.01195 -0.00247 0.01462 -0.00060 0.00088 144 6PZ 0.00827 -0.00023 0.01152 0.00067 -0.00005 145 7D 0 0.09319 0.00372 -0.11275 -0.05031 0.01476 146 7D+1 0.04802 0.07773 0.16892 0.00946 0.06033 147 7D-1 -0.07832 0.05451 -0.26445 0.02283 0.03174 148 7D+2 0.06644 -0.13140 0.04735 0.02825 -0.00183 149 7D-2 0.13572 0.06240 0.10892 0.03812 -0.01140 150 8D 0 0.02829 0.00115 -0.03568 -0.01444 0.00419 151 8D+1 0.01746 0.02406 0.05614 0.00309 0.01722 152 8D-1 -0.02834 0.01697 -0.08791 0.00584 0.00930 153 8D+2 0.02167 -0.04030 0.01674 0.00792 -0.00168 154 8D-2 0.04435 0.01907 0.03805 0.01090 -0.00250 155 8 C 1S 0.01814 -0.00024 0.02976 0.00018 0.00026 156 2S -0.03683 0.00050 -0.06149 -0.00080 -0.00041 157 3S -0.08594 0.00118 -0.15410 0.00096 -0.00201 158 4PX 0.02739 -0.01522 0.04624 0.00050 0.00448 159 4PY -0.04516 -0.00840 -0.07732 -0.00028 0.00175 160 4PZ -0.00569 -0.00040 0.02027 -0.00087 0.00078 161 5PX 0.00552 0.00595 0.00255 -0.00005 -0.00137 162 5PY -0.00937 0.00368 -0.00461 -0.00062 -0.00069 163 5PZ 0.00849 0.00008 0.00751 0.00156 -0.00045 164 9 O 1S -0.00385 0.00005 -0.00536 0.00004 -0.00007 165 2S 0.01121 -0.00014 0.01408 0.00016 0.00010 166 3S 0.01583 -0.00025 0.02966 -0.00107 0.00065 167 4PX -0.02056 0.02925 -0.03249 -0.00021 -0.00501 168 4PY 0.03393 0.01712 0.05582 0.00030 -0.00237 169 4PZ 0.01208 0.00080 -0.04209 -0.00023 -0.00073 170 5PX -0.00752 0.01361 -0.01333 0.00023 -0.00198 171 5PY 0.01250 0.00802 0.02333 -0.00002 -0.00084 172 5PZ 0.00360 0.00040 -0.02496 -0.00090 -0.00020 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26693 -0.26679 -0.26538 -0.26151 -0.26106 1 1 Cu 1S -0.00030 -0.00051 -0.00123 -0.00054 -0.00140 2 2S 0.01972 0.02246 0.03115 -0.00938 -0.02341 3 3S 0.04978 0.01486 0.00805 -0.03988 -0.09989 4 4PX -0.00175 0.00436 -0.00189 -0.00463 -0.00266 5 4PY -0.00743 -0.00644 -0.00276 0.00221 0.00622 6 4PZ -0.00208 -0.00061 0.00410 0.00016 0.00702 7 5PX 0.01484 -0.03640 0.00427 0.01992 0.00846 8 5PY 0.03935 0.02925 0.00428 -0.01281 -0.03597 9 5PZ 0.01997 0.00599 -0.01646 0.00155 -0.02712 10 6PX 0.00813 -0.01331 0.00240 0.00374 -0.00239 11 6PY 0.00512 -0.00137 -0.00265 -0.00773 -0.02161 12 6PZ 0.00494 -0.00031 -0.00402 0.00277 0.00068 13 7D 0 0.04560 0.19891 -0.02514 -0.06908 -0.27360 14 7D+1 -0.16494 -0.16245 -0.02810 0.17275 0.38730 15 7D-1 -0.03774 0.15760 0.25469 0.02348 0.03869 16 7D+2 0.14746 -0.00122 -0.02163 -0.05106 -0.09541 17 7D-2 -0.30932 0.25945 -0.12534 0.00431 -0.01499 18 8D 0 0.01495 0.06398 -0.00762 -0.02166 -0.08910 19 8D+1 -0.05434 -0.05389 -0.00922 0.05669 0.12572 20 8D-1 -0.01279 0.05091 0.08126 0.00717 0.01221 21 8D+2 0.04631 -0.00143 -0.00635 -0.01683 -0.03055 22 8D-2 -0.10007 0.08411 -0.03971 0.00113 -0.00436 23 2 Cu 1S -0.00068 0.00021 -0.00071 0.00127 0.00080 24 2S 0.02420 -0.00677 0.02212 0.02053 0.01298 25 3S -0.00142 -0.01071 0.00664 0.08781 0.05367 26 4PX 0.00101 0.00007 -0.00413 0.00415 0.00315 27 4PY -0.00618 -0.00130 -0.00025 -0.00641 -0.00160 28 4PZ -0.00335 0.00525 0.00067 -0.00382 -0.00542 29 5PX -0.01701 0.00271 0.01800 -0.01078 -0.00989 30 5PY 0.03785 0.01245 -0.00137 0.03135 0.00946 31 5PZ 0.00940 -0.03437 -0.00961 0.02155 0.02722 32 6PX -0.00921 0.00309 0.00238 0.00861 0.00584 33 6PY 0.00298 0.01024 -0.00059 0.01168 0.00514 34 6PZ -0.00953 -0.00864 -0.00030 0.01236 0.01096 35 7D 0 0.06979 0.36097 0.10980 -0.22204 -0.10883 36 7D+1 -0.02860 0.03629 -0.09076 -0.10874 -0.08802 37 7D-1 0.05776 -0.00274 0.09476 0.05168 0.02032 38 7D+2 0.31666 0.15209 -0.13848 0.29382 0.20728 39 7D-2 -0.10936 0.02374 -0.11451 -0.18389 -0.11250 40 8D 0 0.02193 0.11698 0.03505 -0.07194 -0.03532 41 8D+1 -0.00855 0.01186 -0.02896 -0.03514 -0.02936 42 8D-1 0.02023 -0.00167 0.02928 0.01706 0.00668 43 8D+2 0.10310 0.04844 -0.04372 0.09517 0.06708 44 8D-2 -0.03535 0.00674 -0.03677 -0.06021 -0.03588 45 3 Cu 1S 0.00007 0.00045 -0.00044 -0.00147 0.00006 46 2S -0.00375 -0.02152 0.01767 -0.02346 0.00105 47 3S -0.00221 -0.01291 0.00989 -0.09862 0.00394 48 4PX -0.00499 -0.00147 -0.00152 -0.00455 -0.00214 49 4PY -0.00184 0.00332 0.00344 0.00742 -0.00160 50 4PZ 0.00043 0.00569 -0.00112 0.00501 -0.00051 51 5PX 0.03403 0.01008 0.00948 0.01920 0.00887 52 5PY 0.01219 -0.02537 -0.02021 -0.02904 0.00680 53 5PZ -0.00060 -0.02556 0.00053 -0.03219 0.00264 54 6PX 0.01225 0.00009 -0.00006 0.00190 0.00023 55 6PY 0.00547 -0.00621 -0.00076 0.00082 0.00017 56 6PZ 0.00242 0.00677 0.00355 -0.02256 0.00115 57 7D 0 -0.05343 0.08987 -0.00857 0.21681 -0.00584 58 7D+1 -0.32258 0.02788 -0.10333 -0.06313 0.03122 59 7D-1 -0.17930 0.08808 0.22006 0.13732 0.00983 60 7D+2 0.21842 0.11281 0.03813 0.25336 -0.02349 61 7D-2 -0.05112 0.20636 0.01007 0.34182 -0.00996 62 8D 0 -0.01754 0.02766 -0.00362 0.07034 -0.00200 63 8D+1 -0.10458 0.00906 -0.03246 -0.02028 0.00962 64 8D-1 -0.05789 0.02945 0.06979 0.04415 0.00305 65 8D+2 0.06994 0.03767 0.01241 0.08215 -0.00830 66 8D-2 -0.01569 0.06800 0.00366 0.11096 -0.00266 67 4 Cu 1S 0.00074 0.00001 -0.00081 0.00120 -0.00092 68 2S -0.02559 0.00085 0.02396 0.01946 -0.01498 69 3S -0.00161 -0.01051 0.00574 0.08341 -0.06221 70 4PX -0.00506 0.00158 0.00257 0.00366 -0.00084 71 4PY 0.00358 -0.00250 0.00320 -0.00634 0.00343 72 4PZ 0.00450 0.00408 0.00137 -0.00331 0.00623 73 5PX 0.02143 -0.01206 -0.00754 -0.02316 0.00897 74 5PY -0.03166 0.01851 -0.01347 0.02335 -0.01228 75 5PZ -0.01992 -0.03076 -0.01248 0.01717 -0.03016 76 6PX -0.00641 -0.00675 -0.00008 -0.01585 0.01064 77 6PY -0.00886 0.00727 -0.00257 -0.00098 0.00331 78 6PZ 0.00437 -0.01170 -0.00143 0.00848 -0.01045 79 7D 0 0.03915 0.32986 0.10819 -0.17737 0.09390 80 7D+1 0.02273 -0.13456 -0.09571 0.04463 -0.04951 81 7D-1 -0.12117 -0.02291 0.08707 0.20244 -0.16767 82 7D+2 0.19026 -0.08685 -0.04243 -0.25370 0.19666 83 7D-2 -0.18446 0.23336 -0.18194 0.15851 -0.14202 84 8D 0 0.01369 0.10666 0.03468 -0.05758 0.03023 85 8D+1 0.00876 -0.04368 -0.02992 0.01397 -0.01648 86 8D-1 -0.03998 -0.00787 0.02741 0.06568 -0.05505 87 8D+2 0.06120 -0.02878 -0.01414 -0.08275 0.06321 88 8D-2 -0.06057 0.07482 -0.05768 0.05112 -0.04596 89 5 Cu 1S 0.00014 -0.00059 -0.00128 -0.00040 0.00145 90 2S -0.01305 0.02721 0.03238 -0.00719 0.02412 91 3S -0.04368 0.02953 0.01013 -0.03026 0.10398 92 4PX -0.00626 0.00514 0.00289 0.00120 0.00473 93 4PY 0.00049 -0.00756 -0.00042 0.00460 -0.00556 94 4PZ 0.00075 -0.00101 0.00473 0.00015 -0.00669 95 5PX 0.04060 -0.01849 -0.00476 -0.00378 -0.02895 96 5PY 0.00501 0.04601 0.00008 -0.02178 0.02719 97 5PZ -0.01007 0.01305 -0.01708 0.00140 0.02394 98 6PX 0.01184 0.00481 0.00131 0.00184 -0.01873 99 6PY 0.00664 0.00844 -0.00310 -0.00685 0.01121 100 6PZ -0.00231 0.00328 -0.00448 0.00272 -0.00363 101 7D 0 -0.02788 0.23520 -0.05672 -0.08620 0.39305 102 7D+1 -0.05888 -0.03798 -0.20989 -0.06973 0.15340 103 7D-1 -0.08180 0.20880 0.17378 -0.09782 0.26872 104 7D+2 0.41381 0.14987 -0.06992 0.02445 -0.02941 105 7D-2 0.02370 0.05667 -0.08245 -0.01243 0.02181 106 8D 0 -0.00951 0.07631 -0.01760 -0.02735 0.12771 107 8D+1 -0.01958 -0.01123 -0.06693 -0.02293 0.04935 108 8D-1 -0.02640 0.06837 0.05572 -0.03264 0.08744 109 8D+2 0.13375 0.04907 -0.02231 0.00771 -0.00976 110 8D-2 0.00871 0.01678 -0.02582 -0.00428 0.00650 111 6 Cu 1S 0.00003 0.00056 0.00047 0.00009 -0.00002 112 2S -0.00008 -0.00349 0.01539 -0.00014 -0.00001 113 3S 0.00095 0.02237 -0.01359 -0.00194 0.00027 114 4PX 0.01197 -0.00258 0.00231 -0.00002 -0.00040 115 4PY 0.00753 0.00350 -0.00359 -0.00011 -0.00021 116 4PZ -0.00045 -0.01455 -0.00722 0.00040 -0.00004 117 5PX -0.05959 0.01749 0.01819 0.00069 0.00023 118 5PY -0.03849 -0.02495 -0.02962 -0.00111 0.00056 119 5PZ 0.00210 0.06870 0.00378 -0.00103 0.00001 120 6PX 0.00336 -0.00222 -0.00580 0.00029 0.00086 121 6PY 0.00223 0.00306 0.00958 0.00064 0.00048 122 6PZ 0.00024 0.00144 -0.00250 -0.00085 0.00009 123 7D 0 -0.00117 -0.12682 -0.03068 0.13404 -0.04031 124 7D+1 0.08199 -0.00349 -0.03862 0.00496 -0.16881 125 7D-1 0.05045 -0.00062 0.06111 -0.11613 -0.07036 126 7D+2 -0.09401 -0.04406 -0.03302 -0.09560 -0.08632 127 7D-2 0.03661 -0.09430 -0.06787 -0.11144 0.08991 128 8D 0 -0.00055 -0.04080 -0.01087 0.03930 -0.01176 129 8D+1 0.02535 -0.00044 -0.01237 0.00150 -0.04950 130 8D-1 0.01570 -0.00108 0.01962 -0.03421 -0.02061 131 8D+2 -0.03119 -0.01424 -0.01123 -0.02829 -0.02547 132 8D-2 0.01244 -0.03065 -0.02305 -0.03294 0.02652 133 7 Cu 1S -0.00005 -0.00098 0.00023 0.00000 0.00000 134 2S 0.00012 -0.00099 0.06705 -0.00006 -0.00009 135 3S -0.00182 -0.03683 0.03724 -0.00027 0.00012 136 4PX 0.00718 -0.00319 0.00207 0.00005 -0.00062 137 4PY 0.00466 0.00466 -0.00328 -0.00037 -0.00021 138 4PZ -0.00010 -0.00596 -0.00586 0.00040 -0.00019 139 5PX -0.01400 0.00404 -0.01587 -0.00003 0.00327 140 5PY -0.00864 -0.00563 0.02511 0.00155 0.00111 141 5PZ 0.00028 0.01358 0.03170 -0.00227 0.00101 142 6PX -0.01241 0.00328 -0.00219 -0.00013 0.00100 143 6PY -0.00784 -0.00453 0.00323 0.00022 0.00031 144 6PZ 0.00028 0.01143 0.01293 -0.00060 0.00038 145 7D 0 0.00560 0.10578 0.02760 -0.16235 0.05302 146 7D+1 -0.05139 0.03623 -0.27916 -0.00531 0.20841 147 7D-1 -0.03740 -0.05734 0.44202 0.14040 0.08813 148 7D+2 0.11261 0.06140 -0.14789 0.11386 0.10157 149 7D-2 -0.05122 0.13615 -0.31108 0.13368 -0.10421 150 8D 0 0.00170 0.03434 0.00900 -0.05247 0.01718 151 8D+1 -0.01724 0.01194 -0.08892 -0.00176 0.06756 152 8D-1 -0.01242 -0.01878 0.14081 0.04546 0.02855 153 8D+2 0.03603 0.01984 -0.04708 0.03686 0.03298 154 8D-2 -0.01626 0.04391 -0.09902 0.04326 -0.03383 155 8 C 1S 0.00034 0.00581 0.01287 -0.00008 -0.00004 156 2S -0.00069 -0.01236 -0.02429 0.00048 0.00000 157 3S -0.00191 -0.03089 -0.08323 -0.00151 0.00064 158 4PX -0.01527 0.01082 0.01943 -0.00061 -0.00166 159 4PY -0.01064 -0.01706 -0.03230 -0.00026 -0.00084 160 4PZ 0.00082 0.02174 0.00846 0.00202 -0.00061 161 5PX -0.00144 -0.00053 0.01071 0.00000 0.00068 162 5PY -0.00079 0.00087 -0.01756 0.00030 0.00033 163 5PZ 0.00011 0.00453 -0.00016 -0.00096 0.00022 164 9 O 1S -0.00006 -0.00110 -0.00185 0.00002 0.00000 165 2S 0.00013 0.00248 0.00601 -0.00036 0.00006 166 3S 0.00047 0.00738 0.00536 0.00093 -0.00028 167 4PX 0.02387 -0.00772 -0.01275 0.00096 0.00276 168 4PY 0.01539 0.01146 0.02165 0.00050 0.00155 169 4PZ -0.00117 -0.03346 -0.01823 -0.00342 0.00102 170 5PX 0.01275 -0.00319 -0.00641 0.00006 0.00085 171 5PY 0.00812 0.00464 0.01089 0.00055 0.00035 172 5PZ -0.00066 -0.01901 -0.00988 -0.00084 0.00033 66 67 68 69 70 O O O O O EIGENVALUES -- -0.25947 -0.25930 -0.25926 -0.25303 -0.25290 1 1 Cu 1S -0.00012 0.00031 0.00011 -0.00048 -0.00004 2 2S 0.00648 -0.01219 -0.00666 -0.00484 0.00194 3 3S 0.00303 0.00306 -0.00350 -0.03143 0.00070 4 4PX 0.00374 0.00419 -0.00605 -0.00913 -0.00994 5 4PY -0.00181 0.00420 0.00227 -0.00289 -0.00065 6 4PZ 0.00185 0.00415 -0.00274 -0.00717 -0.00645 7 5PX -0.01994 -0.01523 0.03023 0.03059 0.05180 8 5PY 0.01178 -0.02454 -0.01412 0.01159 0.00298 9 5PZ -0.00561 -0.02650 0.00930 0.02790 0.03398 10 6PX -0.00686 -0.00548 0.01225 0.00149 0.04632 11 6PY 0.00699 -0.01239 -0.00772 -0.00374 0.00181 12 6PZ -0.00074 -0.01207 0.00360 0.00613 0.03102 13 7D 0 0.17888 -0.23588 0.19218 0.07319 0.22558 14 7D+1 0.02714 -0.04679 0.15012 0.12664 0.11602 15 7D-1 0.18773 -0.01803 0.03320 -0.07662 -0.15939 16 7D+2 0.02684 -0.14969 -0.29232 0.12957 -0.10709 17 7D-2 0.20511 0.09524 0.08844 -0.07027 -0.26026 18 8D 0 0.05670 -0.07725 0.06095 0.02383 0.07445 19 8D+1 0.00876 -0.01658 0.04741 0.04121 0.03823 20 8D-1 0.05966 -0.00531 0.00986 -0.02459 -0.05256 21 8D+2 0.01082 -0.05021 -0.09495 0.04182 -0.03540 22 8D-2 0.06552 0.03068 0.02682 -0.02273 -0.08579 23 2 Cu 1S -0.00026 -0.00005 0.00033 0.00115 -0.00006 24 2S 0.00672 0.00269 -0.00871 0.01156 0.00278 25 3S -0.00886 0.00125 0.01016 0.07333 0.00206 26 4PX -0.00014 -0.00060 -0.00017 -0.00041 0.00057 27 4PY 0.00079 -0.00796 0.00114 0.00021 0.00803 28 4PZ -0.00382 0.00623 0.00434 0.00824 -0.00868 29 5PX -0.00351 0.00186 0.00598 0.00714 -0.00381 30 5PY 0.00052 0.03993 -0.01036 -0.00491 -0.04114 31 5PZ 0.02124 -0.02642 -0.02537 -0.03121 0.04382 32 6PX -0.00284 0.00092 0.00343 0.01321 -0.00453 33 6PY 0.00047 0.01667 -0.00530 0.00328 -0.03722 34 6PZ 0.01071 -0.00865 -0.01134 0.00282 0.03891 35 7D 0 0.20501 0.03680 0.20250 -0.00965 -0.18157 36 7D+1 -0.25988 0.12240 0.08508 0.08371 -0.24138 37 7D-1 -0.08110 -0.07981 0.18178 0.38718 0.02223 38 7D+2 0.17568 0.01734 0.07633 0.05378 -0.05133 39 7D-2 0.06136 -0.22916 0.12057 -0.01414 0.24695 40 8D 0 0.06425 0.01240 0.06401 -0.00349 -0.05982 41 8D+1 -0.08355 0.03995 0.02864 0.02716 -0.07964 42 8D-1 -0.02817 -0.02687 0.06076 0.12484 0.00744 43 8D+2 0.05553 0.00579 0.02378 0.01774 -0.01679 44 8D-2 0.01937 -0.07456 0.03840 -0.00454 0.08147 45 3 Cu 1S 0.00005 -0.00042 -0.00001 -0.00138 0.00001 46 2S -0.00101 0.00896 0.00021 -0.01377 -0.00026 47 3S 0.00244 -0.01830 -0.00054 -0.08655 0.00009 48 4PX 0.00638 0.00196 -0.00753 0.00146 0.01006 49 4PY 0.00351 -0.00133 -0.00400 -0.00265 0.00530 50 4PZ 0.00110 -0.00370 -0.00094 -0.00596 0.00124 51 5PX -0.02886 -0.01427 0.03555 -0.00916 -0.05113 52 5PY -0.01715 0.01486 0.01902 0.01633 -0.02704 53 5PZ -0.00555 0.02291 0.00433 0.02194 -0.00621 54 6PX -0.01190 -0.00695 0.01371 -0.00452 -0.04663 55 6PY -0.00748 0.00847 0.00733 0.01080 -0.02471 56 6PZ -0.00228 0.00993 0.00154 -0.01169 -0.00542 57 7D 0 0.01588 -0.29799 -0.04701 -0.32253 0.05801 58 7D+1 -0.04357 0.05399 -0.22165 0.12558 0.28497 59 7D-1 -0.06888 0.00400 -0.11621 -0.05312 0.12560 60 7D+2 0.32940 0.04022 0.00657 0.15595 0.15755 61 7D-2 -0.22111 -0.00224 0.02955 0.24865 -0.14822 62 8D 0 0.00572 -0.09830 -0.01513 -0.10377 0.01910 63 8D+1 -0.01243 0.01856 -0.07142 0.04021 0.09392 64 8D-1 -0.02107 0.00077 -0.03722 -0.01659 0.04137 65 8D+2 0.10479 0.01366 0.00068 0.05046 0.05207 66 8D-2 -0.07078 0.00075 0.01050 0.08032 -0.04893 67 4 Cu 1S 0.00025 0.00002 -0.00032 0.00105 0.00005 68 2S -0.00775 0.00163 0.00933 0.01043 -0.00306 69 3S 0.00649 0.00479 -0.00840 0.06684 -0.00275 70 4PX -0.00132 0.00551 0.00176 -0.00052 0.00531 71 4PY -0.00003 -0.00468 -0.00036 -0.00102 -0.00495 72 4PZ 0.00238 0.00733 -0.00417 0.00894 0.00932 73 5PX 0.00831 -0.02773 -0.01035 0.00255 -0.02790 74 5PY -0.00563 0.02277 0.00840 -0.00268 0.02475 75 5PZ -0.01530 -0.03249 0.02501 -0.03429 -0.04756 76 6PX 0.00354 -0.01232 -0.00494 -0.01012 -0.02583 77 6PY -0.00318 0.00874 0.00461 -0.00782 0.02137 78 6PZ -0.00901 -0.01154 0.01140 -0.00091 -0.04270 79 7D 0 -0.28925 -0.05520 -0.14084 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89 5 Cu 1S 0.00379 0.00560 -0.00886 0.00621 -0.00272 90 2S 0.12780 0.14614 -0.22587 0.03946 -0.03408 91 3S 0.05899 0.12661 -0.21859 0.12629 -0.06413 92 4PX -0.02561 0.02353 0.02653 -0.03711 0.03118 93 4PY -0.00024 0.04438 0.02095 0.01278 -0.03987 94 4PZ 0.00740 -0.03619 0.01414 -0.02793 -0.02566 95 5PX 0.10869 -0.05708 -0.12634 0.13016 -0.12946 96 5PY -0.01218 -0.16102 -0.06287 -0.04549 0.16539 97 5PZ 0.00909 0.14432 -0.06802 0.09271 0.08171 98 6PX 0.06808 0.01103 -0.03656 0.06003 -0.17454 99 6PY -0.00318 -0.03665 0.00242 -0.03254 0.22291 100 6PZ -0.02448 0.04661 -0.06905 0.03387 0.11532 101 7D 0 -0.04082 0.01281 -0.01402 0.02362 -0.00495 102 7D+1 0.01524 -0.00219 0.01716 0.05146 0.03315 103 7D-1 -0.01142 -0.02095 0.00198 -0.00781 -0.01784 104 7D+2 -0.02026 -0.01845 -0.02504 0.03598 -0.03028 105 7D-2 0.02223 -0.00328 -0.01852 -0.03340 0.02232 106 8D 0 -0.01265 0.00374 -0.00612 0.00665 0.00195 107 8D+1 0.00548 0.00099 0.00281 0.01507 0.00879 108 8D-1 -0.00363 -0.00613 0.00132 -0.00308 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-0.01319 -0.00523 -0.02059 0.02353 -0.02237 15 7D-1 -0.02434 0.01471 0.00397 -0.02403 -0.00210 16 7D+2 0.00450 0.01646 0.01692 0.00828 -0.01301 17 7D-2 -0.05239 0.02662 0.03012 0.01479 0.00996 18 8D 0 -0.00700 -0.01095 -0.01301 0.00142 0.00085 19 8D+1 -0.00187 -0.00455 -0.00556 0.00432 -0.00336 20 8D-1 -0.00715 0.00673 0.00151 -0.00483 -0.00297 21 8D+2 -0.00124 0.00387 0.00496 -0.00202 -0.00377 22 8D-2 -0.01442 0.00814 0.01146 0.00146 -0.00026 23 2 Cu 1S 0.00404 -0.00263 -0.00296 -0.00324 0.00725 24 2S 0.00870 0.00383 0.09093 -0.08826 0.07476 25 3S 0.09709 0.14647 0.37336 0.08734 0.26370 26 4PX -0.00410 -0.02465 -0.05452 -0.00878 0.02527 27 4PY 0.04697 -0.00966 0.00344 0.01892 -0.02100 28 4PZ 0.04422 0.01293 -0.01242 0.00944 0.04312 29 5PX 0.01272 0.13960 0.29229 0.07752 -0.15866 30 5PY -0.20486 -0.00842 0.02314 -0.06257 0.06826 31 5PZ -0.17612 0.02855 0.03985 -0.05421 -0.19592 32 6PX -0.03004 0.21416 0.55599 -0.09997 -0.40202 33 6PY -0.22071 0.01005 0.07468 -0.16468 0.07650 34 6PZ 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6PX -0.00213 0.15763 -0.02528 -0.02663 0.11863 55 6PY 0.01058 -0.38745 0.03755 0.11605 -0.32047 56 6PZ 0.02968 0.39674 -0.04314 -0.26755 0.46589 57 7D 0 -0.01419 0.01449 0.00704 -0.00994 0.04470 58 7D+1 -0.05615 0.01967 0.04029 0.01425 -0.00386 59 7D-1 -0.03692 -0.02780 0.01619 -0.01664 -0.02471 60 7D+2 0.04271 0.01111 0.04680 0.01549 -0.03774 61 7D-2 -0.01926 0.01366 -0.03716 0.03016 -0.05186 62 8D 0 -0.00431 0.00524 0.00261 0.00014 0.00982 63 8D+1 -0.01600 0.00547 0.01459 0.00101 0.00024 64 8D-1 -0.01030 -0.00758 0.00624 -0.00143 -0.00736 65 8D+2 0.00906 0.00281 0.01377 0.00240 -0.00798 66 8D-2 -0.00354 0.00303 -0.01149 0.00479 -0.01048 67 4 Cu 1S -0.00440 -0.00183 0.00312 -0.00327 0.00717 68 2S -0.01054 -0.01184 -0.09726 -0.08128 0.07407 69 3S -0.11007 0.09156 -0.39338 0.12962 0.26224 70 4PX 0.04765 0.01147 -0.03319 -0.01177 -0.00363 71 4PY -0.02746 0.00508 -0.04895 0.01985 -0.03690 72 4PZ -0.04146 0.01927 -0.00061 0.00953 0.04039 73 5PX -0.20185 -0.03202 0.19725 0.01145 0.06222 74 5PY 0.11383 -0.08150 0.24361 -0.10951 0.18670 75 5PZ 0.16820 0.00183 0.01433 -0.06470 -0.17225 76 6PX -0.25474 -0.04562 0.41143 0.19678 0.21671 77 6PY 0.09332 -0.09622 0.45385 -0.03803 0.40875 78 6PZ 0.18942 -0.02101 -0.01260 -0.10063 -0.32216 79 7D 0 -0.01224 0.00485 0.00748 0.01087 0.03123 80 7D+1 0.02475 -0.03320 -0.00532 0.02999 0.04298 81 7D-1 -0.01275 -0.05957 -0.00309 -0.01711 -0.02150 82 7D+2 -0.00524 -0.03117 -0.01520 0.01690 0.00383 83 7D-2 0.00000 0.00717 -0.01744 0.01630 -0.03348 84 8D 0 -0.00358 0.00202 0.00219 0.00147 0.00774 85 8D+1 0.00902 -0.01305 -0.00216 0.00430 0.00720 86 8D-1 -0.00276 -0.01751 0.00008 -0.00072 -0.00466 87 8D+2 -0.00365 -0.01099 -0.00584 0.00590 -0.00124 88 8D-2 0.00114 0.00227 -0.00537 0.00240 -0.00839 89 5 Cu 1S -0.00243 0.00261 0.00146 -0.00328 -0.00274 90 2S -0.00970 -0.10336 -0.05232 -0.04158 -0.02755 91 3S -0.09344 -0.22140 -0.20834 0.35282 -0.09054 92 4PX 0.02223 -0.04196 -0.00481 -0.00474 0.05036 93 4PY -0.02599 0.00308 0.01077 0.02284 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0.00357 0.00003 0.00901 0.00004 134 2S 0.00017 0.01503 0.00013 0.09447 -0.00075 135 3S -0.00012 0.09023 0.00233 0.80583 -0.00201 136 4PX -0.06588 0.02318 0.02516 0.02303 0.00009 137 4PY -0.04007 -0.03891 0.01503 -0.03644 0.00002 138 4PZ -0.00183 0.01563 0.00067 -0.03185 -0.00059 139 5PX 0.23599 -0.07396 0.00775 -0.13863 -0.00107 140 5PY 0.14366 0.11890 0.00553 0.22099 0.00168 141 5PZ 0.00668 0.05403 0.00062 0.13953 0.00125 142 6PX 0.03998 -0.13129 0.02362 -0.38470 -0.00411 143 6PY 0.02511 0.20773 0.01710 0.61066 0.00487 144 6PZ 0.00046 0.15092 0.00102 0.48882 0.00763 145 7D 0 -0.00022 -0.06205 -0.00221 0.01736 -0.02186 146 7D+1 -0.00271 0.02215 -0.04071 0.02962 -0.00249 147 7D-1 -0.00188 -0.03248 -0.02667 -0.04756 0.02072 148 7D+2 0.00750 -0.01148 0.05835 0.02376 0.01803 149 7D-2 -0.00374 -0.01959 -0.02887 0.04902 0.02221 150 8D 0 -0.00002 -0.02196 -0.00076 0.00615 -0.00920 151 8D+1 -0.00008 0.00680 -0.01410 0.00719 -0.00107 152 8D-1 -0.00012 -0.00987 -0.00923 -0.01162 0.00866 153 8D+2 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0.00114 86 87 88 89 90 V V V V V EIGENVALUES -- 0.01124 0.02061 0.03300 0.04210 0.04222 1 1 Cu 1S -0.00849 0.00018 0.00061 0.00025 -0.00030 2 2S -0.09014 0.01591 -0.06440 0.06762 -0.16975 3 3S -0.32951 0.18236 -0.44528 0.88455 -2.26605 4 4PX 0.00652 -0.01010 -0.00538 -0.01366 -0.00842 5 4PY -0.02611 0.01617 -0.02683 -0.00122 -0.00342 6 4PZ 0.03539 0.01067 0.01056 -0.01132 -0.00045 7 5PX -0.00018 0.01258 -0.00571 0.03565 -0.02982 8 5PY 0.15841 0.00674 0.06324 0.04681 -0.08586 9 5PZ -0.18244 -0.02856 0.00601 -0.00981 0.07591 10 6PX 0.06650 0.07077 -0.38340 -0.25871 -0.48196 11 6PY 0.39613 -0.00938 -0.43782 0.37169 -0.91577 12 6PZ -0.39777 -0.03094 0.57258 -0.46299 0.46217 13 7D 0 0.00350 -0.02671 -0.00616 0.01886 0.01087 14 7D+1 -0.05833 0.02203 0.03241 0.01795 -0.01195 15 7D-1 -0.02157 0.00037 0.03766 -0.02268 0.00817 16 7D+2 -0.04773 -0.03901 0.02134 -0.00841 -0.01202 17 7D-2 0.00381 -0.00145 -0.02225 -0.02403 -0.02173 18 8D 0 -0.00001 -0.00900 -0.00092 0.00583 0.00309 19 8D+1 -0.01245 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0.04209 -0.01364 0.01430 60 7D+2 0.00699 0.02399 0.01927 0.01109 0.01820 61 7D-2 -0.00524 0.03505 0.01991 0.02110 -0.01581 62 8D 0 -0.00027 0.01455 -0.01002 0.00015 0.00201 63 8D+1 -0.00112 -0.00283 -0.00377 0.00575 0.00965 64 8D-1 -0.00052 0.00203 0.01357 -0.00995 0.00363 65 8D+2 -0.00009 0.00662 0.00719 0.00381 0.00544 66 8D-2 0.00045 0.00954 0.00791 0.00832 -0.00459 67 4 Cu 1S -0.00533 -0.00088 0.00065 -0.00031 -0.00020 68 2S -0.06012 -0.01834 -0.06129 -0.13872 -0.11046 69 3S -0.22755 -0.09427 -0.41618 -1.82648 -1.48262 70 4PX 0.04563 -0.00953 0.02573 0.00805 -0.00498 71 4PY -0.00974 0.01094 0.01072 -0.00015 0.00894 72 4PZ 0.04402 0.00547 -0.00894 0.00950 -0.01269 73 5PX -0.21722 -0.00792 -0.05494 0.06374 0.07188 74 5PY 0.01210 0.00751 0.00431 0.05653 0.03722 75 5PZ -0.16991 0.01123 0.03559 -0.02944 0.00997 76 6PX -0.45567 -0.01384 0.54280 0.91871 0.45754 77 6PY -0.03353 0.12465 0.58152 0.32260 0.51118 78 6PZ -0.27042 0.12980 -0.05406 0.02024 -0.48585 79 7D 0 -0.02736 0.01384 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0.00067 119 5PZ -0.00067 0.00693 0.16838 0.00889 0.00265 120 6PX -0.00470 -0.62112 0.16418 0.05065 -0.06103 121 6PY 0.00266 1.00740 -0.26431 -0.04204 -0.05142 122 6PZ -0.00037 0.33714 -0.05150 -0.08960 -0.02597 123 7D 0 0.00518 -0.03402 0.00439 -0.02222 -0.00754 124 7D+1 0.02493 -0.00576 0.02402 -0.00115 -0.03144 125 7D-1 0.01102 0.00981 -0.03829 0.02012 -0.01273 126 7D+2 0.01289 -0.02084 0.01607 0.01603 -0.01612 127 7D-2 -0.01280 -0.04036 0.03322 0.01855 0.01675 128 8D 0 0.00206 -0.00847 0.00075 -0.00873 -0.00282 129 8D+1 0.00988 -0.00819 0.00691 -0.00039 -0.01206 130 8D-1 0.00434 0.01301 -0.01104 0.00799 -0.00490 131 8D+2 0.00543 -0.00870 0.00443 0.00692 -0.00660 132 8D-2 -0.00527 -0.01751 0.00912 0.00801 0.00682 133 7 Cu 1S 0.00002 0.00259 -0.00349 -0.00013 -0.00004 134 2S -0.00043 -0.15732 0.06647 -0.01370 -0.00328 135 3S -0.00417 -1.55013 1.78977 -0.16413 -0.04153 136 4PX 0.00053 0.01081 -0.02234 -0.00125 -0.00064 137 4PY 0.00000 -0.01747 0.03538 0.00234 0.00033 138 4PZ 0.00006 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4PX 0.00443 -0.01771 -0.00326 0.00130 -0.00264 159 4PY 0.00262 0.03577 0.00445 -0.00029 -0.00184 160 4PZ 0.00044 -0.13754 0.01662 -0.00362 -0.00087 161 5PX 0.00545 0.01953 -0.01095 0.00031 -0.00562 162 5PY 0.00303 -0.02641 0.01690 0.00217 -0.00275 163 5PZ 0.00092 -0.11836 0.02241 -0.00478 -0.00172 164 9 O 1S -0.00007 -0.02630 0.00276 0.00043 0.00010 165 2S 0.00023 0.07763 -0.00738 -0.00157 -0.00040 166 3S 0.00029 0.12901 -0.01306 -0.00198 -0.00031 167 4PX -0.00434 -0.00190 0.00014 -0.00141 0.01045 168 4PY -0.00226 -0.00018 0.00001 -0.00487 0.00545 169 4PZ -0.00091 0.06666 -0.00340 0.01239 0.00295 170 5PX -0.00290 0.01364 -0.00201 -0.00192 0.00569 171 5PY -0.00188 -0.02567 0.00372 -0.00060 0.00360 172 5PZ -0.00052 0.06484 -0.00752 0.00675 0.00178 91 92 93 94 95 V V V V V EIGENVALUES -- 0.04522 0.04638 0.04647 0.05115 0.05199 1 1 Cu 1S -0.00108 0.00061 0.00007 0.00042 -0.00067 2 2S -0.01654 -0.01125 -0.01321 -0.05413 0.04483 3 3S -0.47675 -0.28116 -0.29103 -1.28959 1.04749 4 4PX 0.00138 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0.00490 0.00962 0.03299 0.06946 25 3S -1.01697 0.13251 0.16762 0.59157 1.53197 26 4PX 0.00290 -0.01185 -0.01188 0.01161 0.03196 27 4PY 0.00471 0.01285 0.02172 0.01231 0.01576 28 4PZ 0.00576 0.01100 0.01761 0.00555 0.02212 29 5PX -0.08463 0.08749 0.08521 -0.04992 -0.08801 30 5PY -0.04099 -0.07983 -0.11582 -0.09289 -0.05563 31 5PZ -0.06225 -0.05009 -0.09618 0.03341 -0.11779 32 6PX -0.22791 0.62355 0.82869 -0.02839 -0.10793 33 6PY -0.40077 -0.89485 -1.12514 0.57849 0.23405 34 6PZ -0.22812 -0.71934 -1.05574 -0.31006 0.58936 35 7D 0 -0.00858 -0.03577 0.00347 -0.01016 0.01121 36 7D+1 0.00027 0.00497 -0.02528 -0.01589 -0.00262 37 7D-1 -0.02696 -0.01779 -0.01727 0.01803 0.03834 38 7D+2 0.01375 -0.00022 0.03556 -0.01449 -0.01687 39 7D-2 -0.01034 -0.02283 -0.00914 0.00303 -0.01404 40 8D 0 -0.00063 -0.00446 -0.00011 -0.00128 0.00144 41 8D+1 -0.00037 0.00119 -0.00266 0.00114 0.00109 42 8D-1 -0.00811 -0.00297 -0.00418 0.00197 0.00462 43 8D+2 0.00176 0.00096 0.00487 -0.00251 -0.00059 44 8D-2 -0.00121 -0.00351 -0.00012 0.00051 0.00113 45 3 Cu 1S -0.00158 0.00007 -0.00001 -0.00020 0.00012 46 2S -0.04588 0.00008 -0.01893 0.08145 -0.00792 47 3S -0.88047 0.00947 -0.37065 1.59758 -0.16894 48 4PX -0.00512 0.00147 0.01508 0.00139 -0.00576 49 4PY 0.00827 -0.00013 -0.02470 -0.01331 -0.00125 50 4PZ 0.00872 -0.00110 -0.01602 0.04222 -0.00492 51 5PX 0.01579 0.00023 -0.09821 0.01533 0.09205 52 5PY -0.01029 0.00377 0.16833 0.02758 0.04655 53 5PZ -0.09735 0.00749 0.06543 -0.15639 0.02740 54 6PX 0.26553 0.02493 -0.92127 -0.12468 -0.61448 55 6PY -0.32462 0.06186 1.51377 0.04273 -0.34469 56 6PZ -0.63721 0.04171 1.06761 0.23998 -0.11327 57 7D 0 -0.03376 -0.00256 0.03675 0.01289 -0.00553 58 7D+1 0.01863 -0.01804 -0.01152 -0.02539 -0.01566 59 7D-1 -0.02138 -0.01315 0.01285 0.03270 -0.01184 60 7D+2 0.00213 0.03281 0.01155 -0.00979 -0.00319 61 7D-2 0.00482 -0.01931 0.01461 -0.02154 0.00684 62 8D 0 -0.00766 -0.00010 0.00530 0.00407 -0.00077 63 8D+1 0.00464 -0.00156 -0.00219 -0.00185 -0.00133 64 8D-1 -0.00461 -0.00110 0.00276 0.00103 -0.00113 65 8D+2 0.00232 0.00406 0.00169 -0.00072 0.00222 66 8D-2 0.00407 -0.00282 0.00197 -0.00174 -0.00115 67 4 Cu 1S -0.00140 0.00015 -0.00054 0.00023 0.00113 68 2S -0.05333 -0.00017 0.01036 0.01815 -0.07255 69 3S -1.00088 -0.04188 0.18519 0.27710 -1.61671 70 4PX -0.00721 0.00651 -0.01524 -0.01030 0.03712 71 4PY -0.00222 -0.01525 0.02045 0.00074 0.02041 72 4PZ 0.00358 -0.01162 0.01766 -0.00064 -0.01380 73 5PX 0.09411 -0.03449 0.06841 0.07278 -0.13399 74 5PY 0.06506 0.10278 -0.12767 -0.02276 -0.04856 75 5PZ -0.03794 0.05600 -0.10067 0.06767 0.08053 76 6PX 0.46130 -0.53522 0.68170 -0.36877 0.35067 77 6PY 0.04447 0.89579 -1.24707 0.37901 -0.28895 78 6PZ -0.09958 0.71823 -1.10128 -0.42144 -0.52694 79 7D 0 -0.00169 0.03374 0.01316 -0.00731 -0.00240 80 7D+1 0.01986 -0.01848 0.02421 0.00351 0.03575 81 7D-1 -0.00824 0.00851 0.01750 0.01684 -0.02158 82 7D+2 -0.01873 0.02528 -0.02605 0.01192 -0.00473 83 7D-2 0.00949 0.00860 0.02400 -0.01159 0.02396 84 8D 0 0.00103 0.00419 0.00133 -0.00170 0.00023 85 8D+1 0.00629 -0.00266 0.00475 -0.00087 0.00478 86 8D-1 -0.00318 0.00199 0.00082 -0.00049 -0.00134 87 8D+2 -0.00316 0.00424 -0.00287 0.00167 -0.00241 88 8D-2 0.00128 0.00036 0.00393 -0.00199 0.00050 89 5 Cu 1S -0.00110 -0.00056 0.00009 0.00043 0.00051 90 2S -0.00955 0.01269 -0.01117 -0.06248 -0.03358 91 3S -0.36862 0.33683 -0.26771 -1.47266 -0.78941 92 4PX -0.01568 -0.01470 0.00413 0.02927 0.01351 93 4PY 0.01101 0.02355 -0.00814 -0.00528 -0.01117 94 4PZ -0.00637 0.02033 -0.00635 0.02701 0.01567 95 5PX 0.11577 0.05469 -0.01966 -0.13335 -0.01491 96 5PY -0.05596 -0.13699 0.03513 0.01736 0.10331 97 5PZ 0.05517 -0.14328 0.06211 -0.04560 -0.07200 98 6PX 0.44657 0.79040 -0.19551 0.66284 -0.12501 99 6PY -0.57515 -1.29381 0.35055 -0.34569 -0.83087 100 6PZ -0.30722 -1.26544 0.39792 -0.48464 -0.00395 101 7D 0 0.02888 0.02413 -0.02544 0.01756 0.00205 102 7D+1 0.00209 0.01264 0.02220 0.00915 0.00915 103 7D-1 0.00798 0.01750 0.00390 -0.02195 0.00007 104 7D+2 -0.00264 -0.01765 -0.02710 -0.00355 0.01499 105 7D-2 0.02446 0.02518 0.00225 0.02918 0.02689 106 8D 0 0.00492 0.00306 -0.00382 -0.00006 0.00219 107 8D+1 0.00099 0.00261 0.00273 -0.00024 -0.00099 108 8D-1 -0.00223 0.00161 0.00116 -0.00275 -0.00093 109 8D+2 -0.00054 -0.00166 -0.00294 -0.00112 0.00182 110 8D-2 0.00775 0.00441 0.00100 0.00448 0.00297 111 6 Cu 1S 0.00193 0.00000 -0.00005 -0.00271 -0.00001 112 2S 0.01602 -0.00085 0.00284 -0.01655 -0.00015 113 3S 1.02533 -0.05452 0.20020 0.26713 -0.00278 114 4PX -0.00535 0.00055 -0.00047 -0.00081 -0.01542 115 4PY 0.00766 0.00003 0.00144 0.00264 -0.00935 116 4PZ 0.02169 -0.00060 0.00167 -0.02669 -0.00047 117 5PX 0.07947 0.00014 0.01048 0.04745 0.13298 118 5PY -0.12023 0.00598 -0.02012 -0.08800 0.08042 119 5PZ -0.19336 0.00712 -0.02121 0.19640 0.00378 120 6PX -1.16189 -0.03203 -0.17274 0.13073 1.12344 121 6PY 1.86162 -0.11635 0.22366 -0.28095 0.67800 122 6PZ 1.09059 -0.07355 0.30512 1.42847 0.03263 123 7D 0 -0.01398 -0.00693 0.03033 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6PY 0.04440 -0.04505 -0.05539 -0.96528 1.39305 144 6PZ -0.27714 -0.02755 0.12075 2.30837 0.06714 145 7D 0 0.00741 0.00747 -0.02886 -0.01387 -0.00047 146 7D+1 0.00653 0.03904 -0.00262 0.01196 -0.00765 147 7D-1 -0.00970 0.01814 0.02261 -0.01846 -0.00506 148 7D+2 0.00434 0.02322 0.02098 -0.00166 0.01426 149 7D-2 0.00794 -0.02124 0.02840 -0.00223 -0.00706 150 8D 0 0.00075 0.00102 -0.00383 -0.00288 -0.00013 151 8D+1 0.00024 0.00510 -0.00032 0.00197 -0.00193 152 8D-1 -0.00021 0.00234 0.00283 -0.00300 -0.00122 153 8D+2 0.00084 0.00282 0.00247 -0.00026 0.00234 154 8D-2 0.00147 -0.00265 0.00346 -0.00034 -0.00113 155 8 C 1S -0.00376 0.00011 -0.00041 -0.00780 0.00001 156 2S 0.02830 -0.00094 0.00360 0.02945 -0.00002 157 3S 0.04150 -0.00258 0.00906 0.01782 -0.00034 158 4PX -0.03053 0.00536 -0.00499 -0.01127 -0.16494 159 4PY 0.05222 -0.00036 0.01025 0.02685 -0.10022 160 4PZ -0.04305 0.00432 -0.01469 -0.17345 -0.00473 161 5PX 0.06579 -0.00565 0.01380 0.00641 -0.15626 162 5PY -0.10421 0.00474 -0.02106 -0.00135 -0.09489 163 5PZ -0.09481 0.00543 -0.02082 -0.19030 -0.00445 164 9 O 1S -0.02813 0.00137 -0.00524 0.00956 0.00004 165 2S 0.08570 -0.00432 0.01654 -0.02696 -0.00012 166 3S 0.11712 -0.00477 0.01857 -0.05616 -0.00024 167 4PX 0.00919 -0.02179 0.00088 0.00301 0.01000 168 4PY -0.01544 -0.01091 -0.00848 -0.00557 0.00612 169 4PZ -0.01625 -0.00451 0.01572 0.00714 0.00030 170 5PX 0.02712 -0.00779 0.00469 0.00264 0.05354 171 5PY -0.04564 -0.00124 -0.00995 -0.00726 0.03265 172 5PZ 0.01364 -0.00271 0.00880 0.05628 0.00149 96 97 98 99 100 V V V V V EIGENVALUES -- 0.06311 0.06329 0.07218 0.07266 0.07979 1 1 Cu 1S 0.00114 -0.00087 0.00086 -0.00104 0.00118 2 2S -0.00155 0.01353 -0.01860 0.02082 0.03816 3 3S -0.28736 0.38245 -0.68989 0.85310 0.94388 4 4PX -0.02443 0.01672 0.00127 0.03261 -0.00797 5 4PY 0.01877 -0.01326 -0.03215 0.03521 -0.01255 6 4PZ 0.03083 -0.03216 0.03637 -0.01845 0.00955 7 5PX 0.14428 -0.07459 -0.05244 -0.19116 0.03542 8 5PY -0.13278 0.11262 0.14459 -0.15912 0.06230 9 5PZ -0.15678 0.20013 -0.19662 0.05174 -0.05438 10 6PX -0.80921 0.55118 -1.23366 -1.49475 1.77907 11 6PY 1.08964 -0.98282 -0.47427 0.22043 -1.21994 12 6PZ 0.98396 -1.04137 -1.11775 -0.79356 2.19657 13 7D 0 -0.00541 0.04352 -0.00389 -0.00533 -0.02832 14 7D+1 0.02495 -0.01063 -0.01214 0.00822 0.00388 15 7D-1 0.01067 0.01493 0.00718 0.00073 0.02780 16 7D+2 -0.03384 0.00689 -0.00232 0.00852 0.02751 17 7D-2 0.00780 0.00992 0.00441 0.00769 0.02631 18 8D 0 -0.00087 0.00923 -0.00207 -0.00203 -0.00448 19 8D+1 0.00654 -0.00164 -0.00074 -0.00151 0.00094 20 8D-1 0.00369 0.00361 0.00304 0.00083 0.00428 21 8D+2 -0.00816 0.00073 0.00165 0.00035 0.00413 22 8D-2 0.00316 0.00485 0.00216 0.00273 0.00386 23 2 Cu 1S 0.00028 -0.00122 0.00149 0.00072 0.00161 24 2S 0.01379 0.02458 -0.02204 -0.00952 0.05177 25 3S 0.13267 0.61475 -0.90775 -0.38369 1.29514 26 4PX 0.00996 0.04058 -0.05204 -0.02618 -0.02393 27 4PY -0.00958 -0.03096 -0.00983 -0.02520 -0.00839 28 4PZ -0.01192 -0.02045 -0.02968 0.00862 -0.00726 29 5PX -0.07359 -0.21127 0.23285 0.12670 0.12388 30 5PY 0.06514 0.22770 0.02804 0.16639 0.04229 31 5PZ 0.10762 0.14761 0.16067 -0.09143 0.03987 32 6PX 0.50191 1.06337 0.03749 0.22545 -1.68636 33 6PY -0.70374 -1.47761 -1.17981 1.41268 0.12938 34 6PZ -0.75361 -1.15605 0.33053 -1.74398 -2.14357 35 7D 0 0.01624 -0.02676 -0.00659 0.00301 0.00116 36 7D+1 -0.03204 -0.01616 -0.00582 0.00643 -0.02681 37 7D-1 0.00082 -0.01122 0.01268 0.00772 -0.02112 38 7D+2 0.02916 0.01733 0.00281 0.00237 -0.02197 39 7D-2 -0.00737 -0.03757 -0.00230 -0.00944 0.01100 40 8D 0 0.00667 -0.00680 -0.00064 0.00257 0.00038 41 8D+1 -0.00553 -0.00171 -0.00268 0.00221 -0.00384 42 8D-1 0.00008 -0.00364 -0.00019 0.00044 -0.00304 43 8D+2 0.00684 0.00346 -0.00167 -0.00045 -0.00358 44 8D-2 0.00018 -0.00593 0.00037 -0.00391 0.00178 45 3 Cu 1S -0.00011 0.00012 -0.00020 0.00194 -0.00014 46 2S 0.02843 -0.00310 0.00233 -0.02236 -0.00461 47 3S 0.46038 -0.07372 0.10309 -0.97995 -0.11878 48 4PX 0.02393 -0.00750 0.02504 -0.01024 -0.00005 49 4PY -0.04091 0.00254 0.00870 0.03775 -0.00170 50 4PZ -0.02057 0.00068 0.00870 -0.05226 0.00182 51 5PX -0.15833 0.07875 -0.18068 0.03732 -0.01066 52 5PY 0.26662 0.00322 -0.07550 -0.17432 0.00330 53 5PZ 0.17696 -0.00649 -0.04848 0.24050 -0.01098 54 6PX 1.13223 -0.28778 -2.12825 -0.05943 3.32251 55 6PY -1.83655 0.07118 -1.06778 -0.39210 1.65451 56 6PZ -1.47214 0.09861 -0.18852 -0.36925 0.57868 57 7D 0 -0.04825 0.00716 0.00181 0.00692 0.01117 58 7D+1 0.00701 0.01163 0.01134 -0.00478 0.04763 59 7D-1 0.00153 0.01126 0.00441 0.00481 0.01926 60 7D+2 -0.02388 -0.03178 0.00607 -0.00800 0.02730 61 7D-2 -0.02844 0.02342 -0.00369 -0.01462 -0.02784 62 8D 0 -0.00795 0.00200 0.00101 -0.00062 0.00163 63 8D+1 0.00249 0.00513 0.00447 -0.00086 0.00709 64 8D-1 -0.00123 0.00418 0.00176 0.00287 0.00285 65 8D+2 -0.00372 -0.00767 0.00216 0.00055 0.00411 66 8D-2 -0.00349 0.00495 -0.00215 -0.00039 -0.00418 67 4 Cu 1S 0.00041 0.00132 -0.00155 0.00034 -0.00170 68 2S 0.01050 -0.02481 0.02431 -0.00440 -0.05499 69 3S 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-0.00228 0.02527 18 8D 0 -0.00065 -0.00213 0.00613 0.00821 -0.00291 19 8D+1 0.00309 -0.00107 -0.00055 -0.00797 -0.01411 20 8D-1 0.00109 0.00144 0.00257 -0.00081 -0.00157 21 8D+2 -0.00424 0.00096 -0.00037 0.00996 -0.00757 22 8D-2 0.00096 0.00238 0.00387 0.00005 0.00639 23 2 Cu 1S 0.00148 -0.00002 0.00001 0.00041 -0.00947 24 2S 0.01581 -0.00145 0.00155 0.00415 -0.06288 25 3S 0.02532 -0.05362 -0.07105 -0.01058 -0.19882 26 4PX 0.00213 -0.00066 0.03580 0.02871 0.03566 27 4PY -0.01998 -0.00241 -0.05322 -0.04691 -0.00929 28 4PZ -0.01034 0.00260 -0.04832 -0.04022 -0.05232 29 5PX -0.03680 -0.00012 -0.39449 -0.30291 -0.32001 30 5PY 0.17280 -0.02464 0.57348 0.49746 0.07453 31 5PZ 0.06583 0.02604 0.51141 0.42144 0.68949 32 6PX -0.77106 1.22132 0.62918 0.49414 0.31730 33 6PY 1.01485 10.07045 -0.97779 -0.76329 0.35567 34 6PZ 1.05818 -10.85834 -0.88545 -0.71747 -0.84527 35 7D 0 0.00936 -0.00872 -0.01184 0.04206 0.02375 36 7D+1 -0.00964 -0.01233 0.02766 -0.00345 0.03945 37 7D-1 0.00499 0.00096 0.01269 0.02020 -0.03773 38 7D+2 0.01258 -0.00171 -0.04055 0.00246 -0.00177 39 7D-2 -0.00927 0.01238 0.01075 0.02614 0.02594 40 8D 0 0.00129 0.00160 0.00093 0.00637 0.00392 41 8D+1 -0.00340 0.00237 0.00602 0.00120 0.00767 42 8D-1 -0.00010 -0.00015 0.00334 0.00487 -0.00323 43 8D+2 0.00440 0.00043 -0.00858 -0.00185 0.00312 44 8D-2 -0.00053 -0.00240 0.00513 0.00518 -0.00398 45 3 Cu 1S 0.00266 0.00001 0.00001 -0.00002 -0.01271 46 2S 0.01934 0.00012 -0.00382 -0.00017 -0.07683 47 3S 0.00172 0.00305 -0.03780 0.00705 -0.07521 48 4PX 0.01426 -0.00302 -0.04559 -0.00136 0.02583 49 4PY -0.01779 -0.00160 0.07233 0.00668 -0.05250 50 4PZ -0.03234 -0.00034 0.06258 0.00494 -0.02011 51 5PX -0.12237 -0.03201 0.48045 0.01722 -0.25865 52 5PY 0.16149 -0.01700 -0.76069 -0.07059 0.52820 53 5PZ 0.22830 -0.00390 -0.66239 -0.05204 0.32376 54 6PX -1.93863 12.99720 -0.80757 0.01158 0.26960 55 6PY 3.13178 6.88301 1.27866 0.13938 -0.67758 56 6PZ 2.54394 1.54562 1.10486 0.09631 -0.19852 57 7D 0 -0.00696 0.00278 -0.04430 0.00230 0.00151 58 7D+1 -0.00002 0.01412 0.01113 0.02570 0.02625 59 7D-1 0.00267 0.00616 -0.01397 0.01744 -0.02734 60 7D+2 -0.00852 0.00829 -0.01082 -0.03930 0.04290 61 7D-2 -0.01140 -0.00755 -0.01888 0.02065 0.06838 62 8D 0 -0.00598 -0.00057 -0.01138 -0.00023 -0.00428 63 8D+1 0.00164 -0.00277 0.00313 0.00318 0.00396 64 8D-1 -0.00141 -0.00121 -0.00330 0.00203 -0.00195 65 8D+2 -0.00336 -0.00160 -0.00296 -0.00503 0.00519 66 8D-2 -0.00390 0.00149 -0.00425 0.00228 0.00728 67 4 Cu 1S 0.00112 0.00003 -0.00008 -0.00047 -0.00842 68 2S 0.01460 0.00136 0.00144 -0.00408 -0.05802 69 3S 0.03728 0.04963 -0.08073 0.02238 -0.24707 70 4PX 0.01323 -0.00184 0.03690 -0.02433 -0.00247 71 4PY -0.00981 0.00113 -0.06181 0.03689 -0.02570 72 4PZ -0.00516 -0.00300 -0.05415 0.03191 -0.05806 73 5PX -0.10962 -0.01540 -0.38997 0.25742 -0.00216 74 5PY 0.10181 0.01616 0.67600 -0.39126 0.19981 75 5PZ 0.02787 -0.02726 0.57545 -0.33294 0.74496 76 6PX -0.25025 6.90259 0.69238 -0.38791 -0.32500 77 6PY 0.48148 -5.76640 -1.10490 0.60190 0.14751 78 6PZ 0.54874 11.83072 -0.99450 0.57452 -0.92620 79 7D 0 0.01251 0.00413 -0.01588 -0.04079 0.01312 80 7D+1 -0.00340 -0.01068 -0.02150 0.01854 0.00078 81 7D-1 0.01115 -0.01098 -0.02028 -0.01034 -0.05090 82 7D+2 -0.01149 -0.01167 0.03165 -0.02316 0.01465 83 7D-2 0.00619 -0.00009 -0.02629 -0.01594 0.01990 84 8D 0 0.00288 -0.00073 -0.00062 -0.00511 0.00066 85 8D+1 0.00084 0.00204 -0.00569 0.00445 -0.00546 86 8D-1 0.00294 0.00207 -0.00509 -0.00090 -0.00662 87 8D+2 -0.00096 0.00228 0.00983 -0.00529 -0.00572 88 8D-2 0.00291 -0.00007 -0.00482 -0.00131 0.00424 89 5 Cu 1S -0.00131 0.00002 0.00030 -0.00036 -0.00257 90 2S 0.00043 0.00021 0.00151 0.00023 -0.03282 91 3S 0.10871 0.01350 -0.00013 -0.06573 -0.66341 92 4PX -0.01242 0.00201 -0.01686 0.04144 0.03027 93 4PY 0.00939 0.00280 0.02803 -0.06610 -0.01472 94 4PZ 0.00810 -0.00138 0.02543 -0.06048 -0.03078 95 5PX 0.07327 0.02251 0.17956 -0.43313 -0.39735 96 5PY -0.05256 0.02356 -0.29784 0.70991 0.15097 97 5PZ -0.09070 -0.01415 -0.27427 0.65847 0.36205 98 6PX 1.67505 -8.83684 -0.29919 0.78552 0.47850 99 6PY -2.87404 -10.59503 0.52822 -1.24187 0.35392 100 6PZ -2.56260 5.76604 0.44973 -1.08075 0.13410 101 7D 0 0.00519 -0.00941 0.03594 -0.02809 -0.00090 102 7D+1 -0.00801 0.00305 -0.02374 -0.01708 0.03250 103 7D-1 0.00479 0.01166 0.00021 -0.02139 0.00100 104 7D+2 0.00488 0.01071 0.03385 0.02354 0.02375 105 7D-2 0.00285 0.00771 0.00566 -0.02949 -0.01938 106 8D 0 -0.00276 0.00180 0.00689 -0.00955 0.00323 107 8D+1 -0.00172 -0.00058 -0.00254 -0.00273 0.01081 108 8D-1 -0.00269 -0.00212 0.00150 -0.00615 0.00880 109 8D+2 0.00236 -0.00204 0.00371 0.00433 0.00706 110 8D-2 -0.00323 -0.00141 0.00238 -0.00749 -0.00951 111 6 Cu 1S -0.00015 0.00000 -0.00104 0.00013 0.01090 112 2S -0.04147 0.00001 -0.00758 0.00120 0.21629 113 3S 0.05403 -0.00085 0.16536 -0.02098 3.84304 114 4PX -0.00580 0.00004 0.00141 -0.00299 -0.01381 115 4PY 0.01022 0.00002 -0.00335 -0.00122 0.01991 116 4PZ -0.01348 0.00003 0.00054 -0.00018 0.06255 117 5PX 0.07480 0.00030 0.00239 0.05662 0.26362 118 5PY -0.12719 0.00038 0.01615 0.03372 -0.39985 119 5PZ 0.09265 -0.00009 -0.04323 0.00713 -0.77733 120 6PX -2.74299 0.04549 -0.02856 -0.16838 -0.19149 121 6PY 4.85112 0.02496 0.01789 -0.10032 0.21184 122 6PZ -6.71622 0.00402 0.08975 -0.02435 2.28536 123 7D 0 -0.00012 0.00000 -0.05757 0.01052 -0.05240 124 7D+1 0.00906 -0.00012 -0.01196 0.07269 -0.02048 125 7D-1 -0.01425 -0.00007 0.04655 0.03618 0.03403 126 7D+2 0.00846 -0.00008 0.03495 0.04099 -0.03506 127 7D-2 0.01754 0.00009 0.05094 -0.03196 -0.06988 128 8D 0 0.00223 0.00000 -0.01178 0.00212 -0.01655 129 8D+1 0.00131 -0.00001 -0.00333 0.01462 -0.01335 130 8D-1 -0.00225 -0.00001 0.01098 0.00703 0.02167 131 8D+2 0.00210 -0.00002 0.00690 0.00896 -0.01523 132 8D-2 0.00429 0.00003 0.00953 -0.00655 -0.03080 133 7 Cu 1S 0.00057 0.00000 0.00038 -0.00004 -0.00441 134 2S -0.01280 -0.00001 0.00231 -0.00030 -0.05465 135 3S -0.35392 -0.00017 0.02979 -0.00809 -1.56886 136 4PX -0.00144 0.00009 0.00016 -0.00059 0.00093 137 4PY 0.00087 0.00005 -0.00075 -0.00018 -0.00256 138 4PZ 0.03098 0.00003 0.00099 -0.00005 0.02302 139 5PX -0.01505 -0.00048 0.00137 0.00732 -0.08047 140 5PY 0.03673 -0.00015 0.00305 0.00400 0.13943 141 5PZ -0.24291 -0.00027 -0.01422 0.00137 -0.17070 142 6PX 2.17694 0.04834 -0.00445 0.08855 -0.28786 143 6PY -3.93855 0.02488 0.00869 0.04920 0.44380 144 6PZ 7.31550 0.00710 -0.02001 0.01460 0.71623 145 7D 0 -0.03659 0.00005 0.05885 -0.01100 0.02586 146 7D+1 0.00307 0.00021 0.01291 -0.07571 -0.04048 147 7D-1 -0.00351 0.00010 -0.04875 -0.03703 0.06335 148 7D+2 -0.01300 -0.00004 -0.03807 -0.04743 -0.01267 149 7D-2 -0.02462 -0.00005 -0.05568 0.03639 -0.02834 150 8D 0 -0.00173 0.00002 0.01505 -0.00282 0.00377 151 8D+1 -0.00159 0.00007 0.00300 -0.01924 -0.01056 152 8D-1 0.00252 0.00003 -0.01192 -0.00947 0.01663 153 8D+2 -0.00161 0.00003 -0.00974 -0.01201 -0.00473 154 8D-2 -0.00321 -0.00004 -0.01438 0.00928 -0.01011 155 8 C 1S -0.00095 -0.00001 0.00010 0.00001 0.07954 156 2S -0.01390 0.00002 -0.00414 0.00033 -0.16079 157 3S 0.13846 0.00008 0.00931 -0.00054 -1.24616 158 4PX -0.01017 0.00054 0.00064 0.02512 0.05219 159 4PY 0.01248 0.00029 0.00544 0.01436 -0.08633 160 4PZ 0.09080 0.00015 -0.02178 0.00360 0.02343 161 5PX 0.07737 0.00020 0.03219 -0.01061 0.19288 162 5PY -0.13156 0.00033 -0.05850 0.00306 -0.30703 163 5PZ 0.07847 0.00020 -0.00862 0.00267 -0.18863 164 9 O 1S -0.01633 0.00000 0.00100 -0.00018 -0.01219 165 2S 0.05392 -0.00001 -0.00004 0.00034 0.03952 166 3S 0.03565 0.00005 -0.03008 0.00347 0.06810 167 4PX 0.02039 -0.00051 0.00360 -0.01364 -0.04629 168 4PY -0.03512 -0.00026 -0.01101 -0.00667 0.07873 169 4PZ 0.02349 -0.00014 0.01196 -0.00116 -0.05733 170 5PX 0.02732 -0.00035 0.00143 -0.01071 -0.07957 171 5PY -0.04458 -0.00019 -0.00295 -0.00581 0.12899 172 5PZ -0.01095 -0.00012 0.01091 -0.00277 0.03099 111 112 113 114 115 V V V V V EIGENVALUES -- 0.18594 0.18841 0.21218 0.24382 0.24592 1 1 Cu 1S -0.00595 -0.00349 0.00341 -0.00559 -0.00073 2 2S -0.02239 -0.00766 0.01644 0.06338 0.01144 3 3S -0.48112 0.33100 -1.30928 5.08933 0.57047 4 4PX 0.04967 -0.05738 -0.01204 -0.02732 0.00115 5 4PY 0.00131 0.00615 -0.00420 -0.03211 0.00394 6 4PZ 0.01442 -0.03772 -0.01795 0.05376 0.02022 7 5PX -0.74519 0.87803 0.04575 0.74975 -0.31916 8 5PY -0.00758 -0.07603 0.07910 0.77120 -0.14095 9 5PZ -0.18067 0.51635 0.54417 -1.33336 -0.69231 10 6PX 1.07606 -1.35063 -0.10939 -0.05348 -0.31868 11 6PY 0.45210 0.65704 -1.09933 1.10089 0.28077 12 6PZ 0.56932 -1.00844 -0.57279 0.16763 0.14565 13 7D 0 0.02129 -0.02831 -0.02093 0.03513 0.05341 14 7D+1 0.07970 0.04700 -0.03380 -0.01010 -0.00681 15 7D-1 -0.03843 0.01008 0.01364 -0.05388 -0.02687 16 7D+2 0.04205 0.07167 -0.02079 0.04303 0.00840 17 7D-2 -0.00034 0.04845 -0.00079 0.03589 -0.02681 18 8D 0 0.00559 -0.00905 -0.01580 0.00960 0.02106 19 8D+1 0.02986 0.01141 0.01441 0.00211 0.00541 20 8D-1 -0.00995 0.00810 -0.00401 -0.01789 -0.01375 21 8D+2 0.00994 0.02267 -0.01295 0.01684 -0.00096 22 8D-2 -0.00321 0.01471 0.00740 0.01517 -0.01541 23 2 Cu 1S 0.00122 -0.00529 0.00758 -0.00008 0.00463 24 2S -0.01103 -0.01117 0.03186 -0.06710 -0.06306 25 3S -0.90637 0.58412 -0.92465 -3.91946 -4.87818 26 4PX 0.00185 0.00098 -0.01116 0.03317 0.05542 27 4PY -0.05742 -0.01926 0.03881 0.03681 0.02980 28 4PZ 0.04089 0.03217 -0.00442 0.04257 0.01105 29 5PX -0.06990 0.07693 0.05874 -0.81382 -1.43218 30 5PY 0.84649 0.27168 -0.67463 -0.77034 -0.87005 31 5PZ -0.60549 -0.47336 0.06399 -1.18034 -0.10882 32 6PX -0.44131 0.45348 -0.31478 -1.16785 -0.64582 33 6PY -1.44472 -0.01866 0.81654 0.73949 -0.24446 34 6PZ 0.95622 1.27323 -0.11309 0.37424 -0.27331 35 7D 0 -0.03532 0.01471 -0.00985 -0.03972 0.02324 36 7D+1 -0.02542 -0.02137 -0.00521 -0.07325 -0.00302 37 7D-1 0.02956 -0.11296 -0.03663 0.00701 0.03383 38 7D+2 0.01142 -0.02927 0.02904 0.03305 -0.01050 39 7D-2 0.03853 0.03639 -0.05168 -0.05818 -0.06803 40 8D 0 -0.01114 0.00321 0.00600 -0.01408 0.01111 41 8D+1 -0.00865 -0.01151 0.00448 -0.02696 0.00393 42 8D-1 0.00917 -0.03148 -0.01557 0.00528 0.01448 43 8D+2 0.00288 -0.01036 0.00475 0.00611 -0.00432 44 8D-2 0.01739 0.00701 -0.00110 -0.01371 -0.02442 45 3 Cu 1S 0.00498 0.00057 0.00866 -0.00020 -0.00158 46 2S -0.00621 0.00134 0.03908 0.01337 0.11714 47 3S -1.17234 -0.06016 -0.38996 0.81148 7.05338 48 4PX 0.01290 -0.08015 -0.02247 0.01784 -0.01701 49 4PY -0.00761 -0.04199 0.03155 0.01333 0.04541 50 4PZ -0.01278 -0.00996 0.01905 -0.00900 -0.08416 51 5PX -0.20110 1.18891 0.40881 -0.62153 0.48212 52 5PY 0.14244 0.63434 -0.56438 -0.42815 -1.08001 53 5PZ 0.14026 0.14380 -0.41215 0.19675 2.07052 54 6PX 0.15700 -1.95848 -0.62892 0.13064 0.44264 55 6PY 0.26975 -1.02239 0.83708 -0.13013 -0.91432 56 6PZ -0.95651 -0.32577 0.95195 0.04729 0.67891 57 7D 0 0.04955 0.01620 -0.09618 -0.00059 0.02642 58 7D+1 -0.02182 0.04926 0.03267 -0.03790 0.04541 59 7D-1 -0.00588 0.02411 -0.02187 -0.02455 -0.06370 60 7D+2 -0.04803 0.02804 -0.00801 -0.01601 0.03056 61 7D-2 -0.06572 -0.03861 -0.00932 0.02949 0.04757 62 8D 0 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-0.20083 47 3S 1.45184 1.51099 -2.28217 -0.00108 -4.70113 48 4PX -0.00710 -0.01101 0.00939 0.06657 0.01770 49 4PY 0.01132 0.02049 -0.02467 0.03529 -0.04378 50 4PZ -0.01364 0.01494 0.01839 0.00789 0.06836 51 5PX -0.03507 0.31663 -0.45906 -1.77788 -0.32792 52 5PY -0.39196 -0.57628 1.05379 -0.94173 0.84420 53 5PZ 0.31575 -0.27242 -0.45385 -0.21151 -2.05540 54 6PX -0.23767 -0.48344 0.08115 5.15690 -0.15779 55 6PY -0.18323 0.81733 -0.10995 2.73108 0.48867 56 6PZ 0.20109 0.74806 -0.46378 0.61251 -0.75974 57 7D 0 -0.00634 -0.03852 0.01943 -0.01357 -0.07260 58 7D+1 -0.00314 0.01995 -0.03761 -0.06747 0.00795 59 7D-1 -0.02140 -0.03116 0.08800 -0.02933 0.00261 60 7D+2 -0.00960 -0.02101 0.05897 -0.03986 0.00135 61 7D-2 0.01340 -0.02348 0.06548 0.03661 0.00969 62 8D 0 -0.00356 -0.01897 -0.00432 -0.00501 -0.02476 63 8D+1 -0.00727 0.00612 -0.00145 -0.02494 -0.00574 64 8D-1 -0.01036 -0.00538 0.01413 -0.01079 0.01896 65 8D+2 -0.00494 -0.00591 0.02283 -0.01510 0.00414 66 8D-2 0.00888 -0.00823 0.03050 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-0.74985 0.29551 12 6PZ 0.30324 0.41394 0.49888 -0.27898 0.25416 13 7D 0 0.02940 -0.01088 -0.00638 0.01816 0.00005 14 7D+1 0.03436 0.03450 0.01565 -0.01961 -0.02392 15 7D-1 -0.04968 -0.00236 -0.01028 0.01704 0.01681 16 7D+2 -0.02497 0.05268 -0.02136 -0.00966 0.00059 17 7D-2 -0.02978 0.04099 -0.00001 -0.00312 -0.00998 18 8D 0 0.01200 0.00378 -0.01161 -0.00854 -0.01067 19 8D+1 0.01044 -0.01611 0.01139 -0.01147 0.03580 20 8D-1 0.00990 0.02968 0.00112 0.00209 -0.03197 21 8D+2 -0.00001 0.01851 0.00374 0.01097 -0.01818 22 8D-2 -0.02182 -0.00872 0.01427 0.00432 0.01764 23 2 Cu 1S -0.02451 -0.00263 -0.00140 -0.01501 0.00613 24 2S -0.23366 0.00468 0.01144 0.02742 0.01784 25 3S -4.53448 0.13711 0.63644 2.94520 -0.07737 26 4PX 0.07584 0.00241 -0.00479 -0.02549 -0.00405 27 4PY 0.02131 0.00637 -0.00711 -0.00214 0.00365 28 4PZ 0.01457 -0.00827 0.00195 -0.00892 -0.00043 29 5PX -1.99200 0.22764 0.25839 0.99348 -0.00696 30 5PY -0.77289 -1.03269 -0.18557 -0.01429 0.11076 31 5PZ -0.15497 0.35733 0.26308 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-0.00701 -0.00517 -0.01717 0.00563 72 4PZ -0.00317 -0.00930 0.00424 0.00351 0.00000 73 5PX -1.68765 0.91415 0.08516 0.46579 -0.10891 74 5PY -1.38391 -0.55480 -0.14412 0.81257 0.05986 75 5PZ -0.02397 0.44135 0.23670 0.08942 0.14155 76 6PX -0.67261 0.10842 0.30917 -0.66524 -0.09766 77 6PY -0.43773 0.11530 -0.16110 0.91285 0.13867 78 6PZ 0.14362 0.11161 -0.04305 0.85465 -0.04287 79 7D 0 -0.00014 0.03118 0.00651 0.01200 0.00223 80 7D+1 0.01175 0.01877 -0.02437 0.00514 -0.01307 81 7D-1 0.03601 -0.03070 0.02630 -0.02584 0.01319 82 7D+2 -0.01880 -0.07534 -0.00209 0.03853 -0.01086 83 7D-2 -0.01655 -0.00369 0.01430 -0.00784 -0.01607 84 8D 0 -0.01357 -0.00461 -0.00576 0.00422 -0.00460 85 8D+1 0.00025 -0.00628 -0.00221 -0.00542 0.00489 86 8D-1 -0.00811 0.00070 -0.02159 0.00392 -0.02172 87 8D+2 0.01111 -0.02972 -0.01345 -0.00559 0.03168 88 8D-2 0.02602 -0.00093 -0.00469 -0.00286 0.02457 89 5 Cu 1S 0.01224 -0.01783 0.02723 0.01219 -0.00723 90 2S 0.11568 -0.19495 0.03993 0.02358 -0.00424 91 3S 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111 6 Cu 1S 0.00033 0.00521 0.00952 0.00021 -0.06685 112 2S 0.00225 0.04336 0.01207 0.00054 -0.21627 113 3S 0.02655 -0.58489 -0.20356 -0.01697 2.81712 114 4PX 0.07292 -0.05828 -0.01719 -0.03864 0.02504 115 4PY 0.04422 0.09686 0.03051 -0.02303 -0.03998 116 4PZ 0.00140 -0.02395 -0.03618 -0.00130 -0.02696 117 5PX -2.39684 1.28046 0.67880 1.55223 0.04625 118 5PY -1.44231 -2.16013 -1.20769 0.92597 -0.07987 119 5PZ -0.04197 1.27344 1.43253 0.05155 0.10861 120 6PX -0.34021 0.54293 0.93014 3.50079 0.29893 121 6PY -0.20770 -0.89780 -1.73744 2.11214 -0.52206 122 6PZ -0.00696 0.14756 3.20833 0.11948 0.77930 123 7D 0 -0.00286 0.06127 -0.00301 -0.00032 0.02102 124 7D+1 -0.06981 -0.01444 0.01090 -0.00233 0.07555 125 7D-1 -0.04497 0.02051 -0.01693 -0.00113 -0.12021 126 7D+2 0.10050 0.01358 0.00634 -0.00349 0.04856 127 7D-2 -0.04968 0.02473 0.01335 0.00211 0.10147 128 8D 0 -0.00054 0.02211 -0.02443 -0.00072 -0.03325 129 8D+1 -0.01445 -0.00420 0.00165 -0.01345 -0.12457 130 8D-1 -0.00987 0.00593 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-0.07518 16 7D+2 -0.11623 -0.09905 -0.01323 -0.03433 -0.00416 17 7D-2 0.17042 0.01198 0.04198 -0.08877 -0.16675 18 8D 0 -0.26243 0.06983 0.03403 0.00590 -0.20233 19 8D+1 -0.10234 -0.09092 0.09463 0.01074 -0.15787 20 8D-1 -0.15804 -0.00933 0.22762 -0.06326 0.10009 21 8D+2 0.17171 0.11520 0.04185 0.04714 -0.01281 22 8D-2 -0.24407 -0.02126 -0.07728 0.14867 0.22955 23 2 Cu 1S 0.00462 -0.01244 0.06083 0.12074 -0.18396 24 2S 0.00807 -0.01881 0.10124 0.18434 -0.32628 25 3S -0.08203 0.28826 -1.48550 -3.18375 4.16421 26 4PX -0.00271 -0.00587 0.00745 0.00746 -0.00493 27 4PY 0.00552 0.00787 0.00687 0.00094 -0.00441 28 4PZ 0.00437 0.00651 0.00432 0.00800 0.00069 29 5PX 0.02385 0.15201 -0.48524 -0.69103 0.82919 30 5PY -0.09912 -0.13833 -0.08178 -0.12817 0.38476 31 5PZ -0.10740 -0.09676 -0.42180 -0.26930 0.21322 32 6PX -0.02507 -0.03961 -0.19760 -0.34265 0.80070 33 6PY 0.05733 0.12039 0.08231 -0.01497 0.39335 34 6PZ -0.02704 0.11855 -0.43468 -0.26588 0.13979 35 7D 0 -0.21674 0.06532 0.01737 0.16312 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-0.21177 0.21698 56 6PZ -0.18911 -0.05769 -0.61477 0.02182 -0.39123 57 7D 0 0.09492 0.07187 0.06600 0.03064 -0.08276 58 7D+1 -0.07819 0.10432 0.02265 0.20317 -0.00840 59 7D-1 -0.01259 0.10301 -0.01965 0.09322 0.07416 60 7D+2 0.13055 -0.19331 0.04326 0.11692 0.05449 61 7D-2 -0.00183 0.14456 0.06465 -0.10809 0.07066 62 8D 0 -0.10869 -0.09097 -0.11575 -0.04220 0.13039 63 8D+1 0.10287 -0.15479 -0.04460 -0.29409 -0.00952 64 8D-1 0.03044 -0.14438 0.06379 -0.14003 -0.07666 65 8D+2 -0.17625 0.28304 -0.04173 -0.16995 -0.09574 66 8D-2 0.01691 -0.20251 -0.06942 0.15492 -0.13564 67 4 Cu 1S -0.00539 0.01051 0.04450 -0.13471 -0.18107 68 2S -0.00700 0.01648 0.07803 -0.21080 -0.32541 69 3S 0.16459 -0.21665 -1.06658 3.44382 4.01888 70 4PX -0.00588 0.00063 -0.00843 0.00773 0.00471 71 4PY 0.00981 -0.00219 -0.00203 0.00643 0.00090 72 4PZ 0.00776 -0.00148 0.00108 -0.00706 0.00241 73 5PX 0.09732 0.01753 0.31573 -0.60824 -0.76423 74 5PY -0.18666 0.07237 0.31415 -0.57429 -0.44282 75 5PZ -0.15185 0.01123 -0.30662 0.17632 0.02664 76 6PX -0.08739 0.04909 0.04528 -0.28942 -0.79244 77 6PY 0.09252 -0.03457 0.28530 -0.35486 -0.43565 78 6PZ 0.05006 -0.07839 -0.33086 0.23755 -0.03293 79 7D 0 -0.08120 -0.23230 -0.03970 -0.11483 0.06024 80 7D+1 0.07002 -0.00175 -0.03484 0.10580 -0.07495 81 7D-1 0.01299 -0.10952 -0.06780 0.13012 -0.06588 82 7D+2 -0.10484 -0.00659 0.04905 0.09845 -0.11699 83 7D-2 0.00989 -0.16123 0.04789 0.03905 -0.05202 84 8D 0 0.11195 0.33711 0.07215 0.15398 -0.10042 85 8D+1 -0.07644 -0.00289 0.07867 -0.13344 0.11409 86 8D-1 -0.01048 0.15666 0.09952 -0.19856 0.05901 87 8D+2 0.12161 0.01517 -0.06269 -0.12782 0.18765 88 8D-2 -0.00443 0.22698 -0.09585 -0.02683 0.11988 89 5 Cu 1S 0.00924 -0.00887 0.03559 0.13635 -0.00732 90 2S 0.01538 -0.01422 0.09307 0.24800 -0.01379 91 3S -0.27716 0.24680 -0.47274 -3.00724 0.09635 92 4PX 0.00361 -0.00435 0.00528 0.00172 0.00776 93 4PY -0.00678 0.00729 -0.00196 -0.00385 0.00236 94 4PZ -0.00649 0.00675 0.00331 0.00251 0.00026 95 5PX -0.03302 0.05414 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-0.00030 0.00036 -0.03057 0.00853 0.00685 116 4PZ -0.00051 -0.00019 -0.00096 0.00232 0.01298 117 5PX -0.04127 0.01436 -0.61102 -0.40385 0.22340 118 5PY 0.04415 0.00833 0.99857 -0.32495 -0.23060 119 5PZ 0.02861 0.01247 0.02187 -0.08759 -0.41827 120 6PX 0.08572 -0.09401 0.47963 -0.16724 0.14881 121 6PY -0.13379 -0.09206 -0.81384 -0.05301 -0.17834 122 6PZ 0.16892 0.03716 0.44706 -0.04569 -0.06570 123 7D 0 -0.10041 -0.01449 0.10362 -0.01904 -0.07563 124 7D+1 -0.08022 0.12450 -0.11413 -0.06889 -0.00817 125 7D-1 0.07884 0.09439 0.17312 -0.03115 0.06751 126 7D+2 0.03467 0.12493 -0.02088 -0.14300 0.09853 127 7D-2 0.12541 -0.04153 -0.04682 0.10859 0.12022 128 8D 0 0.14892 0.02097 -0.15113 0.03429 0.13191 129 8D+1 0.12204 -0.18475 0.19471 0.13125 0.00092 130 8D-1 -0.12064 -0.14109 -0.29599 0.06587 -0.09955 131 8D+2 -0.04938 -0.18461 0.04520 0.22314 -0.17445 132 8D-2 -0.18204 0.06252 0.09835 -0.17736 -0.22311 133 7 Cu 1S -0.01028 -0.00172 -0.12360 0.01732 0.09892 134 2S -0.01360 -0.00237 -0.16736 0.02612 0.15574 135 3S 0.39362 0.06363 4.55901 -0.58388 -3.22922 136 4PX -0.00097 -0.00034 -0.01246 0.00312 0.00512 137 4PY 0.00160 0.00005 0.01968 -0.00054 -0.00883 138 4PZ 0.00190 0.00030 0.01855 -0.00139 -0.00644 139 5PX 0.02467 0.02157 0.28873 -0.32413 -0.24285 140 5PY -0.05154 -0.00014 -0.43750 -0.08983 0.46122 141 5PZ -0.06312 -0.00607 -0.84632 0.04525 0.23809 142 6PX -0.02588 0.06890 0.08821 -0.10739 -0.21555 143 6PY 0.03082 0.05311 -0.09687 -0.00194 0.35006 144 6PZ -0.13323 -0.02224 -0.92180 0.06952 0.16033 145 7D 0 0.09713 0.01751 -0.00966 -0.02949 -0.11565 146 7D+1 0.05129 -0.10447 -0.10645 -0.14684 0.02374 147 7D-1 -0.05141 -0.08199 0.16046 -0.08105 0.03516 148 7D+2 -0.04526 -0.10383 -0.03937 -0.09072 0.09928 149 7D-2 -0.12414 0.02415 -0.07391 0.09050 0.14088 150 8D 0 -0.13125 -0.02441 0.03616 0.04908 0.19432 151 8D+1 -0.06726 0.13995 0.15946 0.24845 -0.04250 152 8D-1 0.06814 0.11002 -0.24066 0.13876 -0.05455 153 8D+2 0.06201 0.13986 0.06841 0.13173 -0.15983 154 8D-2 0.16881 -0.03188 0.12875 -0.13942 -0.23020 155 8 C 1S 0.00006 0.00064 -0.04538 0.00188 -0.00629 156 2S -0.04078 -0.00929 -0.09217 -0.00733 -0.08285 157 3S -0.01686 -0.00066 0.00903 0.00152 0.00707 158 4PX -0.01821 -0.00450 -0.03109 -0.04566 0.10751 159 4PY 0.02402 0.00396 0.04822 -0.04181 -0.15763 160 4PZ 0.01537 0.00533 0.02819 -0.01051 -0.05102 161 5PX -0.01353 -0.01162 -0.20862 0.33194 -0.03483 162 5PY 0.04179 0.00376 0.33334 0.15551 -0.02881 163 5PZ 0.00265 -0.00883 0.34733 0.02907 0.07251 164 9 O 1S -0.00461 -0.00085 -0.01779 0.00088 0.00289 165 2S 0.01217 0.00290 -0.00503 -0.00049 -0.01872 166 3S 0.04486 0.00688 0.32243 -0.02079 -0.03463 167 4PX 0.02342 -0.05112 0.24943 0.23138 0.07870 168 4PY -0.01767 -0.03034 -0.41588 0.14524 -0.18899 169 4PZ 0.06060 0.00817 0.19519 0.03278 0.06310 170 5PX -0.06469 0.06530 -0.44639 -0.37894 -0.04607 171 5PY 0.07470 0.05147 0.74362 -0.24892 0.17515 172 5PZ -0.07655 -0.00844 -0.31773 -0.05271 -0.10965 131 132 133 134 135 V V V V V EIGENVALUES -- 0.68034 0.68492 0.68798 0.71525 0.72920 1 1 Cu 1S 0.11676 -0.12506 0.05153 -0.00374 0.00703 2 2S 0.19607 -0.17699 0.07947 -0.05193 -0.02387 3 3S -2.68655 3.43663 -1.14559 -0.80575 -0.55027 4 4PX 0.00096 -0.00431 -0.00322 0.00166 0.00884 5 4PY 0.00887 -0.01471 0.00716 0.00687 0.00003 6 4PZ -0.00875 0.00606 -0.00119 -0.00818 -0.00346 7 5PX -0.13205 0.62183 0.11359 0.13131 -0.35576 8 5PY -0.57837 0.70869 -0.35781 -0.18051 -0.18636 9 5PZ 0.54381 -0.36311 0.33251 0.40305 -0.03340 10 6PX 0.15740 0.41848 -0.01812 0.11018 0.00175 11 6PY -0.62515 0.25663 0.11211 0.22605 0.00855 12 6PZ 0.25424 -0.02278 0.34527 0.03604 -0.04387 13 7D 0 0.05294 0.09094 0.03888 0.00277 0.06855 14 7D+1 0.02630 -0.06392 -0.01464 0.14790 0.02348 15 7D-1 -0.07389 -0.11702 0.02188 0.12224 0.13483 16 7D+2 -0.08896 -0.04015 -0.08521 0.14476 0.08184 17 7D-2 -0.08234 0.05314 -0.05807 -0.08192 -0.01695 18 8D 0 -0.07621 -0.14260 -0.06393 -0.01664 -0.08700 19 8D+1 -0.02125 0.08549 0.02650 -0.22844 -0.03469 20 8D-1 0.13608 0.15458 -0.01763 -0.18260 -0.21492 21 8D+2 0.14795 0.06894 0.13603 -0.21046 -0.12035 22 8D-2 0.10210 -0.04476 0.08726 0.14286 0.01446 23 2 Cu 1S 0.00527 -0.01014 0.01640 -0.05710 0.03147 24 2S 0.02391 0.03536 0.05562 -0.07361 0.00166 25 3S -0.09348 0.71553 0.37929 1.28714 -1.48405 26 4PX 0.00352 -0.01225 -0.00858 -0.00602 0.01230 27 4PY -0.00134 -0.00917 -0.00190 0.00423 -0.00012 28 4PZ 0.00263 -0.00515 -0.00051 -0.00564 -0.00070 29 5PX -0.14724 0.44979 0.16122 0.32218 -0.46582 30 5PY -0.07216 0.29223 -0.19709 -0.17574 -0.25607 31 5PZ 0.02450 -0.05775 0.09113 0.53309 -0.07532 32 6PX -0.19211 -0.25748 -0.13427 0.13606 -0.11574 33 6PY -0.09359 0.24402 -0.08958 -0.10031 0.06917 34 6PZ 0.06955 -0.14024 0.00541 0.17358 0.04790 35 7D 0 -0.00709 -0.04397 -0.03179 -0.03136 0.01289 36 7D+1 0.11412 0.13946 0.05338 0.03531 -0.14506 37 7D-1 0.06434 -0.01779 0.08136 -0.09048 -0.05917 38 7D+2 0.09485 0.14032 0.10752 0.00324 -0.09565 39 7D-2 0.02286 -0.04314 -0.00874 0.10850 -0.17040 40 8D 0 0.02884 0.05232 0.05370 0.05977 -0.01904 41 8D+1 -0.15918 -0.21770 -0.07694 -0.02539 0.22062 42 8D-1 -0.12282 0.04043 -0.12225 0.13772 0.08660 43 8D+2 -0.15204 -0.19720 -0.15439 0.00156 0.15455 44 8D-2 -0.04048 0.05802 -0.01098 -0.17280 0.24199 45 3 Cu 1S 0.13156 -0.00364 0.03403 -0.09965 -0.00306 46 2S 0.25420 -0.01703 0.09852 -0.10537 0.00047 47 3S -3.13952 -0.12400 0.17830 2.84539 0.15675 48 4PX 0.00146 0.00431 -0.00226 -0.00532 0.00872 49 4PY -0.00273 -0.00008 0.00822 0.01103 0.00586 50 4PZ 0.00227 0.00296 -0.00747 -0.01242 0.00040 51 5PX -0.15898 0.30256 0.17021 0.20906 -0.39000 52 5PY 0.39250 0.24189 -0.17646 -0.45786 -0.23978 53 5PZ -0.52047 0.00343 0.01193 0.79062 -0.00131 54 6PX -0.32580 0.25920 0.02924 0.14471 -0.03770 55 6PY 0.70389 0.11464 0.09187 -0.24751 -0.04165 56 6PZ -0.44288 0.08328 -0.29287 0.07304 -0.01187 57 7D 0 0.09047 0.00893 0.06641 0.09718 0.03722 58 7D+1 0.05450 0.07411 0.03830 0.09390 0.08816 59 7D-1 -0.13280 0.06283 -0.07269 -0.21819 0.02825 60 7D+2 -0.03573 0.02189 -0.07054 0.01203 -0.02767 61 7D-2 -0.03528 0.00091 -0.10478 0.06855 0.00713 62 8D 0 -0.14943 -0.00468 -0.10950 -0.13133 -0.05911 63 8D+1 -0.09675 -0.07446 -0.05530 -0.13485 -0.15182 64 8D-1 0.23401 -0.07990 0.12257 0.31678 -0.05090 65 8D+2 0.05763 -0.01004 0.10077 -0.01538 0.03575 66 8D-2 0.05105 -0.01496 0.13760 -0.09961 -0.00284 67 4 Cu 1S -0.00211 0.02347 0.01650 -0.04541 -0.03124 68 2S 0.01237 -0.01887 0.03433 -0.06549 0.00199 69 3S 0.15231 -1.24803 0.12013 0.85182 1.50672 70 4PX -0.00088 -0.01774 -0.00001 -0.00144 0.00538 71 4PY -0.00340 -0.00740 0.00395 0.00575 0.01158 72 4PZ 0.00147 0.00138 0.00118 -0.00453 0.00189 73 5PX 0.10015 0.49120 0.22456 -0.00653 -0.44753 74 5PY 0.03369 0.35431 -0.16473 -0.33599 -0.28574 75 5PZ 0.06864 0.06948 0.13927 0.47703 0.03207 76 6PX 0.17671 0.02641 0.11390 -0.03062 0.00855 77 6PY 0.02658 -0.29379 -0.04573 -0.14987 -0.11520 78 6PZ 0.09203 0.04917 0.11492 0.18126 -0.04520 79 7D 0 -0.05743 0.09083 -0.02887 -0.00079 -0.07791 80 7D+1 -0.09022 0.06526 -0.04982 0.09325 -0.07867 81 7D-1 -0.02171 0.06965 0.06931 -0.06586 -0.06461 82 7D+2 0.00873 0.10227 0.01503 0.06247 0.14776 83 7D-2 0.11398 -0.17062 0.04537 0.01025 0.17739 84 8D 0 0.10235 -0.12575 0.05104 0.00442 0.11949 85 8D+1 0.14487 -0.08987 0.07069 -0.16186 0.11715 86 8D-1 0.00337 -0.11715 -0.11242 0.07732 0.09546 87 8D+2 -0.01929 -0.13478 -0.04024 -0.10636 -0.20632 88 8D-2 -0.17660 0.24493 -0.07128 -0.00781 -0.27223 89 5 Cu 1S 0.12892 0.09508 0.10211 -0.00115 -0.00275 90 2S 0.21731 0.13749 0.15385 -0.05408 0.02236 91 3S -2.95891 -2.61264 -2.56068 -0.91787 0.33640 92 4PX -0.00634 -0.00993 -0.00895 -0.00615 0.00378 93 4PY 0.00494 0.00147 0.00782 0.00272 0.00649 94 4PZ -0.00967 -0.00598 -0.00423 -0.00979 0.00304 95 5PX 0.48317 0.72458 0.51408 0.08398 -0.32667 96 5PY -0.29017 0.21300 -0.27857 -0.20221 -0.23377 97 5PZ 0.64463 0.31533 0.53820 0.39476 0.02299 98 6PX 0.43522 0.49625 0.03705 -0.24595 -0.00487 99 6PY -0.52501 0.18246 0.13642 0.05915 -0.01078 100 6PZ 0.30154 -0.00887 0.41157 -0.03044 0.05302 101 7D 0 0.04846 -0.12696 -0.01838 -0.06892 -0.03676 102 7D+1 0.00752 -0.05402 -0.06870 -0.20745 0.11821 103 7D-1 -0.08359 0.05384 0.02333 -0.00468 -0.04424 104 7D+2 -0.05160 -0.01870 -0.02670 -0.10465 -0.00749 105 7D-2 -0.09574 0.05612 -0.08382 0.13800 -0.05331 106 8D 0 -0.07883 0.19422 0.01876 0.09753 0.03887 107 8D+1 -0.04733 0.05731 0.07891 0.32135 -0.17898 108 8D-1 0.13295 -0.08146 -0.02455 0.01177 0.07857 109 8D+2 0.05737 0.00510 0.03077 0.16959 0.02628 110 8D-2 0.15154 -0.10282 0.12561 -0.19604 0.08330 111 6 Cu 1S 0.00945 0.00996 -0.06294 0.02167 -0.00045 112 2S 0.03455 0.01472 -0.09246 -0.00087 -0.00053 113 3S 4.07663 0.07670 0.37443 -0.89331 0.02531 114 4PX 0.01048 -0.01882 -0.00427 0.00816 0.00812 115 4PY -0.01455 -0.01208 0.00179 -0.01214 0.00471 116 4PZ -0.02256 0.00032 -0.00997 -0.02324 0.00005 117 5PX -0.28943 0.77842 0.12478 0.23820 -0.29261 118 5PY 0.38000 0.48533 -0.00845 -0.41425 -0.17327 119 5PZ 0.54972 -0.06752 0.69701 0.39518 -0.00393 120 6PX -0.55899 -0.08444 0.48865 0.28437 -0.36277 121 6PY 0.94305 0.18459 -0.82174 -0.49158 -0.21669 122 6PZ -0.26383 -0.07589 0.35698 0.49994 -0.01067 123 7D 0 -0.09179 0.00051 -0.11981 -0.08462 -0.00126 124 7D+1 -0.00259 -0.16826 -0.03540 0.00749 -0.01155 125 7D-1 0.04022 -0.10882 0.00658 -0.00952 -0.00622 126 7D+2 0.00956 0.12008 -0.01344 -0.03447 -0.00881 127 7D-2 0.01810 -0.04161 -0.05863 -0.06577 0.00611 128 8D 0 0.16664 0.00396 0.16906 0.14650 0.00107 129 8D+1 0.02051 0.26709 0.07126 -0.03062 0.00016 130 8D-1 -0.09342 0.17502 -0.03250 0.04458 -0.00259 131 8D+2 -0.00574 -0.16405 0.01608 0.05080 0.05372 132 8D-2 -0.00480 0.05541 0.07562 0.09491 -0.03010 133 7 Cu 1S -0.14698 0.00514 -0.06916 0.05374 -0.00033 134 2S -0.24033 0.00501 -0.09170 0.06703 -0.00077 135 3S 4.66759 -0.24233 2.65046 -2.19072 0.01023 136 4PX -0.00709 -0.00701 -0.00676 -0.00326 0.01590 137 4PY 0.01200 -0.00567 0.00861 0.00621 0.00958 138 4PZ 0.00759 -0.00039 0.00128 -0.01829 0.00048 139 5PX 0.37600 0.59085 0.41655 0.00281 -0.31767 140 5PY -0.66163 0.43470 -0.49690 -0.03960 -0.19307 141 5PZ -0.28861 0.00655 0.06665 0.73140 -0.00980 142 6PX 0.40080 0.37371 0.24460 -0.09317 -0.26270 143 6PY -0.70868 0.24455 -0.25929 0.13688 -0.16061 144 6PZ 0.18363 0.10853 -0.51343 0.32024 -0.00947 145 7D 0 -0.00803 -0.00725 0.01242 0.16615 -0.00773 146 7D+1 -0.07928 -0.02711 -0.01307 -0.05197 -0.13443 147 7D-1 0.14622 -0.00729 0.00786 0.07446 -0.08582 148 7D+2 0.01628 -0.07827 -0.00021 0.03013 0.17992 149 7D-2 0.00544 0.04594 0.03404 0.05153 -0.08865 150 8D 0 0.01068 0.01336 -0.03488 -0.25338 0.01158 151 8D+1 0.13320 0.03192 0.02958 0.07653 0.19717 152 8D-1 -0.24336 0.00578 -0.02792 -0.10938 0.12504 153 8D+2 -0.02763 0.15288 0.00166 -0.04596 -0.25581 154 8D-2 -0.00847 -0.08747 -0.06075 -0.07857 0.12543 155 8 C 1S 0.02784 0.00679 -0.03339 -0.02909 -0.00015 156 2S 0.24498 0.00992 -0.01332 0.23004 0.00431 157 3S -0.14400 -0.00743 0.01003 -0.52930 -0.00375 158 4PX -0.26710 0.00355 0.18702 -0.03338 0.04586 159 4PY 0.43501 0.08831 -0.29770 0.05335 0.02723 160 4PZ 0.04526 0.00226 -0.00766 0.04356 0.00107 161 5PX 0.21372 -0.33083 -0.40506 0.05829 -0.33903 162 5PY -0.31857 -0.35350 0.57830 -0.09609 -0.20469 163 5PZ 0.06025 0.05199 -0.39096 -0.00854 -0.01120 164 9 O 1S -0.00301 0.00027 -0.00168 0.00147 0.00005 165 2S 0.05371 0.00644 -0.02634 -0.04790 0.00005 166 3S -0.04517 -0.03063 0.16195 0.13863 -0.00001 167 4PX -0.29285 -0.44436 0.16553 0.10029 -0.37733 168 4PY 0.51877 -0.16762 -0.35530 -0.17251 -0.22855 169 4PZ 0.07253 0.08649 -0.62994 0.14181 -0.01292 170 5PX 0.25954 0.68957 -0.09466 -0.18615 0.63938 171 5PY -0.48743 0.33187 0.29286 0.31816 0.38525 172 5PZ -0.09272 -0.13254 0.97852 -0.22466 0.02170 136 137 138 139 140 V V V V V EIGENVALUES -- 0.74498 0.79120 0.79970 0.85142 0.85710 1 1 Cu 1S 0.00992 0.01914 -0.01254 0.02854 0.04224 2 2S -0.02190 0.03751 -0.02859 0.02665 0.07513 3 3S -0.36446 -0.56684 0.16892 -1.50354 -0.99054 4 4PX 0.00422 0.00178 0.00125 0.01495 0.00903 5 4PY -0.00654 0.00371 -0.00239 -0.00163 0.00755 6 4PZ -0.00881 -0.00322 0.00330 -0.00827 0.00898 7 5PX 0.10105 -0.09983 0.16439 -0.08415 0.03806 8 5PY -0.25427 0.07566 -0.02862 -0.09855 -0.15660 9 5PZ 0.07830 0.25986 -0.06738 0.34280 0.18119 10 6PX -0.02722 0.12956 0.01333 -0.17779 -0.01454 11 6PY -0.16241 -0.07194 -0.00192 -0.06285 -0.23672 12 6PZ -0.05559 -0.06073 0.18293 0.27052 0.10350 13 7D 0 0.01082 0.05319 -0.13572 -0.04593 -0.17311 14 7D+1 -0.13382 -0.04048 0.01053 -0.02887 0.03456 15 7D-1 0.08921 -0.08783 -0.01690 -0.00116 -0.08822 16 7D+2 0.01592 0.17269 -0.05296 -0.01232 0.09592 17 7D-2 -0.09657 -0.00136 -0.07790 0.06089 0.03784 18 8D 0 -0.00541 -0.09036 0.22035 0.06612 0.28009 19 8D+1 0.18631 0.07216 -0.02477 0.03992 -0.06920 20 8D-1 -0.12501 0.14625 0.04063 0.01126 0.18914 21 8D+2 -0.00931 -0.28653 0.08447 0.03594 -0.17118 22 8D-2 0.15018 0.01253 0.14018 -0.08385 -0.04671 23 2 Cu 1S 0.02073 -0.01528 -0.03890 -0.02260 -0.08465 24 2S 0.03355 -0.02868 -0.06072 -0.06729 -0.12851 25 3S -0.05112 0.20443 1.23103 -0.35478 2.48009 26 4PX 0.00018 -0.00282 -0.01035 0.01009 -0.00703 27 4PY 0.00182 -0.00279 -0.00063 -0.00334 -0.00186 28 4PZ -0.00598 0.00458 -0.00012 -0.00942 -0.01013 29 5PX 0.01764 0.07997 0.40817 -0.12281 0.47722 30 5PY -0.24008 -0.06689 -0.05468 0.02087 0.17994 31 5PZ 0.01079 0.13416 -0.05117 0.06195 0.16095 32 6PX -0.02006 -0.06301 -0.04338 -0.12318 0.45680 33 6PY 0.06106 -0.03018 0.22288 0.02941 0.20673 34 6PZ -0.06671 0.12954 0.15366 -0.04669 0.17715 35 7D 0 -0.07463 -0.07194 0.09682 -0.03123 -0.01001 36 7D+1 0.01875 0.08843 0.00785 -0.03712 -0.15390 37 7D-1 0.16065 0.00575 0.15756 0.13344 0.03993 38 7D+2 -0.01347 -0.11713 -0.08963 0.01664 0.06890 39 7D-2 -0.03690 -0.02036 0.02229 -0.01132 -0.10047 40 8D 0 0.11601 0.13791 -0.16665 0.05039 0.00046 41 8D+1 -0.03259 -0.12907 -0.00778 0.06677 0.27348 42 8D-1 -0.24742 -0.00335 -0.26044 -0.24558 -0.09057 43 8D+2 0.02838 0.19799 0.15160 -0.02191 -0.10564 44 8D-2 0.04327 0.02722 -0.03377 0.02518 0.19354 45 3 Cu 1S 0.02991 -0.04206 0.00449 0.03632 0.09047 46 2S 0.06569 -0.06058 0.00610 0.02916 0.15069 47 3S 0.00836 1.39835 -0.17362 -1.72577 -2.19149 48 4PX -0.00129 -0.00430 0.00809 0.00529 0.00016 49 4PY 0.00132 0.01137 0.00285 -0.01346 0.00500 50 4PZ -0.00273 -0.00489 0.00166 -0.00019 0.01287 51 5PX 0.07846 0.18140 0.11900 -0.10848 -0.05916 52 5PY -0.09850 -0.35725 0.11968 0.25692 0.24835 53 5PZ -0.06475 0.24079 -0.00438 -0.24143 -0.39884 54 6PX -0.01090 -0.08865 0.11366 -0.05037 -0.05340 55 6PY 0.00492 0.13530 0.04168 0.18180 0.24396 56 6PZ -0.00220 0.24250 -0.01916 -0.44269 -0.35132 57 7D 0 0.15821 0.14483 -0.02328 0.06898 0.10285 58 7D+1 -0.04890 -0.07828 -0.02688 -0.01338 0.03468 59 7D-1 -0.01151 0.09103 -0.05040 -0.04296 -0.05783 60 7D+2 -0.06223 0.04855 0.12745 -0.04238 0.11056 61 7D-2 -0.09914 0.01740 -0.07810 -0.04929 0.11982 62 8D 0 -0.25085 -0.22445 0.04440 -0.12823 -0.16528 63 8D+1 0.07457 0.13368 0.07369 0.01829 -0.07319 64 8D-1 0.02079 -0.15563 0.09919 0.08246 0.13485 65 8D+2 0.09102 -0.07765 -0.20459 0.07246 -0.18986 66 8D-2 0.14537 -0.02621 0.12055 0.08584 -0.21733 67 4 Cu 1S 0.01910 -0.00794 0.03817 -0.02972 -0.05633 68 2S 0.02571 -0.01798 0.06230 -0.07846 -0.08495 69 3S -0.10231 -0.06306 -1.12364 -0.19442 1.75990 70 4PX -0.00032 0.00143 -0.00672 0.00025 0.00188 71 4PY 0.00024 -0.00127 -0.00672 -0.01014 0.00755 72 4PZ -0.00628 0.00420 -0.00288 -0.00843 -0.01215 73 5PX 0.20915 0.02194 0.13362 0.02199 -0.33839 74 5PY -0.14288 -0.03844 0.35899 0.08599 -0.18868 75 5PZ 0.02877 0.14052 0.10313 0.11320 -0.03582 76 6PX -0.01764 0.07396 0.15303 -0.00260 -0.35197 77 6PY 0.06392 0.00026 -0.15750 0.10772 -0.18234 78 6PZ -0.08024 0.11198 -0.15118 0.00407 0.04860 79 7D 0 -0.10104 -0.10732 -0.04037 -0.02462 0.05004 80 7D+1 -0.11269 0.00096 0.16320 -0.09306 0.03895 81 7D-1 0.08955 -0.08001 -0.03165 0.10542 0.19034 82 7D+2 -0.01704 0.00899 -0.09092 -0.00360 -0.04826 83 7D-2 -0.04052 -0.08345 0.08951 -0.00679 0.02004 84 8D 0 0.15761 0.18912 0.07149 0.04159 -0.10577 85 8D+1 0.17215 -0.02035 -0.26561 0.16960 -0.03769 86 8D-1 -0.13317 0.12203 0.05587 -0.19805 -0.32648 87 8D+2 0.00871 -0.01983 0.15277 0.00190 0.10301 88 8D-2 0.06362 0.14280 -0.15334 0.02335 -0.02334 89 5 Cu 1S 0.00726 0.01990 0.00748 0.04876 0.00008 90 2S -0.02967 0.04112 0.01868 0.06254 0.00456 91 3S -0.33733 -0.51690 -0.06904 -1.94961 0.13033 92 4PX 0.00500 -0.00346 -0.00044 -0.00524 -0.01018 93 4PY -0.00742 0.00116 0.00218 -0.01159 -0.00793 94 4PZ -0.00926 -0.00369 -0.00215 -0.01226 0.00878 95 5PX 0.14909 -0.05417 0.05115 0.13347 -0.11005 96 5PY -0.21504 0.12364 0.12987 -0.01267 -0.12883 97 5PZ 0.07444 0.26371 0.04980 0.41733 0.03995 98 6PX 0.15974 -0.00753 0.03182 0.15388 0.02001 99 6PY -0.10145 -0.11982 0.05276 0.06902 -0.03968 100 6PZ -0.04047 -0.11563 -0.15538 0.37182 -0.04417 101 7D 0 0.04597 0.10482 0.11207 -0.02350 -0.14253 102 7D+1 -0.03500 0.06433 -0.04566 0.05749 0.10246 103 7D-1 0.15750 0.01757 0.00498 -0.00750 0.07886 104 7D+2 -0.07445 -0.07028 0.06874 0.05663 -0.04427 105 7D-2 -0.04154 0.16397 0.05593 0.03045 0.08020 106 8D 0 -0.05398 -0.17623 -0.18230 0.03413 0.22491 107 8D+1 0.05092 -0.10574 0.07914 -0.09765 -0.17987 108 8D-1 -0.21904 -0.03446 -0.01992 0.03184 -0.11015 109 8D+2 0.11131 0.12436 -0.12811 -0.08740 0.11464 110 8D-2 0.07440 -0.26601 -0.09250 -0.03808 -0.12689 111 6 Cu 1S 0.04940 -0.03558 0.00040 -0.10622 0.01686 112 2S 0.15293 -0.05778 0.00091 -0.18358 0.03307 113 3S -1.77640 0.83030 -0.01836 4.55213 -0.78849 114 4PX -0.03511 -0.00079 -0.02226 0.01232 -0.00177 115 4PY 0.05612 0.00279 -0.01337 -0.02007 0.00318 116 4PZ 0.03826 -0.02918 -0.00079 -0.01043 0.00028 117 5PX 0.09623 0.31690 0.94214 0.45511 -0.11240 118 5PY -0.15345 -0.57407 0.56715 -0.71686 0.17467 119 5PZ -0.22599 0.89016 0.03106 -0.39315 0.13522 120 6PX 0.07860 -0.15752 -0.15364 -0.06568 0.00810 121 6PY -0.11485 0.26194 -0.09255 0.07060 0.02185 122 6PZ -0.32394 -0.00060 -0.00675 0.77071 -0.15352 123 7D 0 0.02274 0.19073 0.00662 -0.01489 -0.14998 124 7D+1 0.00387 -0.02855 0.11164 0.04676 0.00945 125 7D-1 -0.00660 0.03593 0.07223 -0.06123 0.17847 126 7D+2 0.00329 0.04938 -0.12997 0.05098 0.13747 127 7D-2 0.00747 0.08946 0.06387 0.09617 0.11663 128 8D 0 0.00599 -0.31069 -0.01084 -0.00420 0.28261 129 8D+1 0.01358 0.03426 -0.18307 -0.14999 -0.00320 130 8D-1 -0.02240 -0.03978 -0.11882 0.21559 -0.35431 131 8D+2 0.02794 -0.08950 0.21733 -0.15124 -0.24897 132 8D-2 0.05426 -0.16406 -0.10650 -0.29570 -0.19368 133 7 Cu 1S -0.04562 0.03819 0.00049 -0.02841 0.01071 134 2S -0.01356 0.03970 0.00079 -0.00859 0.00484 135 3S 2.29883 -1.18194 -0.01725 2.18741 -0.61682 136 4PX -0.00839 0.00656 0.01097 -0.00364 0.00102 137 4PY 0.01392 -0.01138 0.00665 0.00580 -0.00400 138 4PZ 0.00299 0.00364 0.00025 0.00845 -0.00091 139 5PX 0.28161 -0.20224 -0.21613 0.25903 -0.06199 140 5PY -0.45277 0.33933 -0.12816 -0.40996 0.16723 141 5PZ -0.34389 -0.01709 -0.00424 -0.39889 0.07647 142 6PX 0.23357 0.10776 0.56351 0.16013 -0.06014 143 6PY -0.39176 -0.21505 0.34386 -0.23495 0.01028 144 6PZ 0.09297 0.61312 0.01921 -0.37022 0.14388 145 7D 0 0.11424 0.17785 0.00638 0.00485 0.05671 146 7D+1 0.02666 -0.04277 0.10317 0.04530 -0.01773 147 7D-1 -0.04567 0.05892 0.06774 -0.07996 -0.02611 148 7D+2 0.06534 0.04193 -0.13529 0.04994 -0.04237 149 7D-2 0.12468 0.07605 0.06722 0.11247 -0.06383 150 8D 0 -0.16002 -0.25579 -0.00946 0.00416 -0.07283 151 8D+1 -0.05096 0.05972 -0.15477 -0.09165 0.02827 152 8D-1 0.08483 -0.08139 -0.10121 0.15769 0.01309 153 8D+2 -0.09982 -0.05574 0.18840 -0.09749 0.05480 154 8D-2 -0.19103 -0.10071 -0.09323 -0.21619 0.09508 155 8 C 1S 0.04584 0.00965 0.00021 -0.04409 0.01086 156 2S -0.92519 0.29587 -0.00388 1.49650 -0.29944 157 3S 1.13992 -0.45692 0.00524 -2.94661 0.61528 158 4PX 0.02271 0.03483 0.03750 0.17450 -0.03662 159 4PY -0.03099 -0.05802 0.02331 -0.28045 0.06223 160 4PZ -0.12451 -0.00015 0.00111 -0.11015 0.01462 161 5PX -0.08779 -0.09892 -0.79661 0.16001 -0.01846 162 5PY 0.11455 0.21111 -0.48331 -0.27666 0.08831 163 5PZ 0.60258 -0.76889 -0.02689 0.05888 -0.06322 164 9 O 1S -0.01032 -0.00544 -0.00002 0.01052 -0.00360 165 2S 0.02932 0.07810 -0.00010 0.02561 0.00926 166 3S -0.07613 0.00097 -0.00032 0.08554 -0.02686 167 4PX -0.01711 -0.06964 -0.39091 0.16603 -0.02848 168 4PY 0.01220 0.13550 -0.23592 -0.28986 0.08905 169 4PZ 0.32623 -0.30294 -0.01304 0.19832 -0.06560 170 5PX -0.06454 0.17810 0.81081 -0.04374 -0.00635 171 5PY 0.13492 -0.33750 0.49118 0.10471 -0.07813 172 5PZ -0.58093 0.65852 0.02737 -0.40444 0.14440 141 142 143 144 145 V V V V V EIGENVALUES -- 0.85926 0.86382 0.86766 0.87814 0.87923 1 1 Cu 1S -0.08784 0.11615 0.05836 -0.05656 0.04317 2 2S -0.14172 0.19455 0.09445 -0.07594 0.03803 3 3S 2.44178 -2.84159 -1.18457 1.06609 -1.21701 4 4PX 0.00464 0.00062 0.01580 0.00395 0.00683 5 4PY -0.01029 0.00102 0.00377 -0.00807 0.00446 6 4PZ 0.00651 -0.01442 0.00609 0.00636 -0.00854 7 5PX 0.27273 -0.26075 0.00537 0.11327 -0.25300 8 5PY 0.38238 -0.41557 -0.19598 0.22166 -0.21734 9 5PZ -0.22998 0.33988 0.25901 -0.25913 0.24392 10 6PX 0.10976 -0.33134 0.08267 0.40057 0.30672 11 6PY 0.41853 -0.38456 -0.11106 -0.09530 0.18950 12 6PZ -0.31763 0.29595 0.15646 0.29680 0.24122 13 7D 0 -0.02490 0.06652 0.04632 0.06061 0.04900 14 7D+1 -0.19629 0.01114 -0.05179 0.15431 -0.15925 15 7D-1 0.11380 -0.14732 0.05770 -0.11469 0.00061 16 7D+2 0.07184 0.13224 0.00283 0.10318 -0.12186 17 7D-2 -0.07188 0.06435 0.13106 -0.02988 -0.19298 18 8D 0 0.03589 -0.09503 -0.10909 -0.09367 -0.06504 19 8D+1 0.33953 -0.03256 0.06975 -0.27040 0.29067 20 8D-1 -0.21022 0.28430 -0.07648 0.19694 -0.01135 21 8D+2 -0.10913 -0.22849 0.00993 -0.18513 0.20894 22 8D-2 0.16846 -0.14080 -0.21880 0.04691 0.33254 23 2 Cu 1S 0.05128 -0.04771 -0.10434 -0.06968 -0.01517 24 2S 0.08163 -0.08845 -0.17001 -0.08079 -0.02505 25 3S -1.21277 1.17937 2.63748 1.66607 -0.15861 26 4PX 0.00319 -0.00427 -0.01149 -0.01365 0.00129 27 4PY 0.01374 -0.00730 0.00738 0.00182 -0.01062 28 4PZ -0.00722 0.01175 -0.00342 -0.00482 0.00230 29 5PX -0.22229 0.16239 0.52092 0.55265 0.05984 30 5PY 0.01693 -0.04196 0.22714 0.04945 0.00904 31 5PZ -0.22508 0.18935 0.07741 0.13253 0.00452 32 6PX -0.19236 0.33280 0.49615 -0.01979 -0.23875 33 6PY -0.02007 -0.02138 -0.00514 0.04728 -0.45706 34 6PZ -0.08427 0.09365 0.28017 -0.28462 0.30801 35 7D 0 0.05787 0.14398 -0.06870 0.13049 -0.03836 36 7D+1 -0.08664 0.00723 -0.07883 0.08403 -0.06438 37 7D-1 0.03676 0.15459 0.12556 -0.21683 -0.11691 38 7D+2 0.03755 0.01804 -0.14927 -0.04143 0.00067 39 7D-2 0.15150 -0.06676 0.03297 0.08649 0.11894 40 8D 0 -0.12698 -0.23937 0.11127 -0.23082 0.05862 41 8D+1 0.11915 0.03329 0.13654 -0.13746 0.10172 42 8D-1 -0.05069 -0.28296 -0.23168 0.38432 0.20952 43 8D+2 -0.08632 -0.02964 0.26724 0.07191 0.00151 44 8D-2 -0.24382 0.10315 -0.00594 -0.15434 -0.20969 45 3 Cu 1S 0.01686 -0.00420 0.09750 0.01223 -0.10437 46 2S 0.02899 -0.01057 0.17905 0.01556 -0.14440 47 3S -0.35902 0.05825 -2.32411 -0.31882 2.31055 48 4PX -0.01567 0.01291 0.00340 0.00700 -0.00308 49 4PY -0.00640 0.00590 -0.00583 0.00137 0.01025 50 4PZ 0.00088 0.00127 0.00144 0.00184 -0.01157 51 5PX -0.11402 0.15619 -0.07421 -0.07243 0.20038 52 5PY -0.01501 0.08566 0.23189 0.03986 -0.49413 53 5PZ -0.08110 0.02360 -0.33131 -0.06952 0.50799 54 6PX -0.12215 -0.04956 -0.18587 0.51507 0.14455 55 6PY -0.02139 -0.05625 0.40502 0.29956 -0.10198 56 6PZ -0.05790 0.00195 -0.43482 0.06525 -0.11212 57 7D 0 0.02085 0.05003 -0.14315 -0.02464 -0.01534 58 7D+1 -0.00999 0.17073 0.15927 -0.12124 0.03923 59 7D-1 0.00736 0.11252 -0.17411 -0.04634 -0.04056 60 7D+2 -0.12050 -0.05104 0.06298 -0.09766 0.11075 61 7D-2 0.11771 -0.01976 0.14213 0.04747 0.20227 62 8D 0 -0.03980 -0.08218 0.24079 0.03869 0.03265 63 8D+1 -0.02008 -0.26681 -0.29550 0.19606 -0.06411 64 8D-1 -0.02336 -0.18775 0.33697 0.07578 0.05622 65 8D+2 0.20186 0.12233 -0.11934 0.16216 -0.19547 66 8D-2 -0.19546 0.00966 -0.27340 -0.07593 -0.35284 67 4 Cu 1S -0.07456 0.06104 -0.10386 0.06822 0.00189 68 2S -0.11331 0.10556 -0.16758 0.07833 -0.00529 69 3S 2.03383 -1.63803 2.59664 -1.53435 -0.59224 70 4PX 0.01343 -0.00670 0.00079 -0.00828 0.00574 71 4PY -0.00243 -0.00136 0.01417 -0.01049 -0.01055 72 4PZ 0.00562 -0.01353 -0.00357 0.00142 0.00315 73 5PX -0.29777 0.18026 -0.49164 0.35328 0.05116 74 5PY -0.31114 0.23278 -0.30597 0.42089 0.06927 75 5PZ 0.19007 -0.14457 -0.05378 -0.01983 -0.01499 76 6PX -0.30593 0.22659 -0.30365 -0.12920 0.42983 77 6PY -0.23800 0.37214 -0.39173 -0.05519 -0.09179 78 6PZ 0.05452 -0.08345 0.17318 0.18278 0.44791 79 7D 0 -0.06141 -0.10127 -0.07394 -0.13531 -0.03084 80 7D+1 -0.01042 0.16554 -0.00974 -0.14524 0.13735 81 7D-1 -0.02404 -0.07244 0.09627 0.21907 0.03577 82 7D+2 -0.17267 0.02100 0.10557 -0.06442 0.06327 83 7D-2 -0.06564 0.02130 -0.14626 -0.03213 0.02373 84 8D 0 0.11795 0.17946 0.12586 0.24406 0.05098 85 8D+1 0.00874 -0.27262 0.04202 0.26194 -0.23401 86 8D-1 0.00816 0.16934 -0.16848 -0.38297 -0.04774 87 8D+2 0.27815 -0.03009 -0.14152 0.11495 -0.11246 88 8D-2 0.13863 -0.04641 0.27970 0.05789 -0.04181 89 5 Cu 1S 0.09179 -0.12191 0.04426 0.04555 0.05398 90 2S 0.15330 -0.20582 0.07091 0.06334 0.05354 91 3S -2.43959 2.84464 -0.87774 -0.85203 -1.36644 92 4PX -0.00874 0.00038 -0.01308 -0.00203 -0.00653 93 4PY 0.00934 -0.00122 -0.01149 0.00774 0.00012 94 4PZ -0.00237 0.01224 0.00450 -0.00483 -0.01053 95 5PX 0.38872 -0.42698 0.06510 0.13306 0.29902 96 5PY -0.06007 0.07069 -0.13527 -0.07392 0.04628 97 5PZ 0.32516 -0.42757 0.21860 0.23702 0.35174 98 6PX 0.38482 -0.41618 -0.03590 0.27481 -0.31937 99 6PY -0.21085 0.01890 -0.16304 0.44061 -0.07129 100 6PZ 0.35619 -0.37186 0.12863 -0.23847 0.09371 101 7D 0 -0.08045 -0.09413 0.04048 -0.04250 0.07227 102 7D+1 0.03991 -0.10393 -0.02021 0.00283 0.02067 103 7D-1 -0.23571 0.06343 0.05829 0.14916 0.12870 104 7D+2 0.05224 0.01540 0.13051 0.11763 -0.10636 105 7D-2 0.05215 -0.14994 0.02239 -0.06795 -0.23886 106 8D 0 0.13366 0.14872 -0.09569 0.05890 -0.11332 107 8D+1 -0.09504 0.20917 0.04040 -0.00064 -0.04041 108 8D-1 0.42115 -0.13656 -0.06740 -0.25083 -0.24387 109 8D+2 -0.10927 -0.00711 -0.21851 -0.20122 0.18251 110 8D-2 -0.11992 0.27296 -0.02699 0.12616 0.41656 111 6 Cu 1S 0.00544 -0.00474 0.00930 0.00007 -0.01584 112 2S 0.01073 -0.00922 0.02217 -0.00044 -0.01690 113 3S -0.28605 0.26141 -0.51193 -0.01809 0.83369 114 4PX -0.00047 0.00391 -0.00178 -0.01949 -0.00786 115 4PY 0.00076 0.00038 0.00547 -0.01215 0.01271 116 4PZ -0.00014 0.00087 -0.00366 -0.00055 -0.01476 117 5PX -0.06564 -0.14534 -0.05106 0.94812 0.54099 118 5PY 0.06862 -0.12573 -0.05198 0.58203 -0.87855 119 5PZ 0.04903 -0.08865 0.30592 0.02039 0.60957 120 6PX -0.03172 0.10976 0.00730 0.30850 0.09691 121 6PY -0.00822 0.05154 0.03859 0.19248 -0.17529 122 6PZ -0.05870 0.06928 -0.14019 0.00177 0.47163 123 7D 0 -0.07432 -0.01553 0.05434 -0.00227 0.08605 124 7D+1 -0.21568 -0.05917 -0.02120 0.01894 -0.02364 125 7D-1 -0.05653 -0.03815 -0.00838 0.01784 0.03018 126 7D+2 -0.09567 -0.01882 -0.01509 -0.13215 0.04531 127 7D-2 0.13411 0.02288 -0.01901 0.06998 0.09679 128 8D 0 0.13862 0.01571 -0.05653 0.00591 -0.13352 129 8D+1 0.40628 0.06651 0.04502 -0.01171 0.01385 130 8D-1 0.09485 0.06005 -0.02062 -0.01936 -0.00553 131 8D+2 0.19266 0.01572 0.01975 0.20896 -0.08313 132 8D-2 -0.24842 -0.03281 0.03190 -0.11332 -0.18211 133 7 Cu 1S 0.00463 -0.00353 0.00904 -0.00005 -0.00207 134 2S 0.00166 -0.00124 0.00380 -0.00045 0.01194 135 3S -0.26265 0.20353 -0.47510 -0.01144 0.50764 136 4PX 0.00359 -0.00166 0.00117 0.00033 -0.00156 137 4PY -0.00003 0.00018 -0.00217 0.00002 0.00269 138 4PZ -0.00024 0.00080 -0.00212 0.00003 0.00196 139 5PX -0.13635 -0.04227 -0.04203 0.48476 0.26025 140 5PY 0.01540 -0.06292 -0.00182 0.30130 -0.42464 141 5PZ 0.01997 -0.06264 0.21522 0.01141 0.32937 142 6PX 0.08632 -0.06417 -0.03857 -0.19402 -0.03864 143 6PY 0.06743 -0.05794 0.03467 -0.12007 0.07773 144 6PZ 0.06842 -0.04105 0.06674 -0.00011 -0.30369 145 7D 0 0.02748 0.04871 -0.14783 -0.00181 0.03450 146 7D+1 0.05329 0.20965 -0.01144 0.02913 0.04726 147 7D-1 0.02684 0.07647 0.14547 0.02033 -0.08938 148 7D+2 0.00098 0.12424 0.10555 0.05524 -0.02621 149 7D-2 -0.03614 -0.11296 0.11061 -0.02484 -0.04019 150 8D 0 -0.03344 -0.08569 0.25732 0.00335 -0.10761 151 8D+1 -0.05005 -0.37717 0.02887 -0.07497 -0.08056 152 8D-1 -0.03400 -0.13313 -0.27404 -0.05257 0.15715 153 8D+2 0.01048 -0.23005 -0.19989 -0.05377 0.03326 154 8D-2 0.04484 0.20845 -0.20904 0.02088 0.04170 155 8 C 1S 0.00402 -0.00337 0.00867 0.00000 0.00157 156 2S -0.11108 0.09268 -0.19557 -0.00289 0.36757 157 3S 0.23816 -0.19332 0.39495 0.00787 -0.95978 158 4PX -0.01335 0.00798 -0.01821 0.00314 0.05907 159 4PY 0.02309 -0.01700 0.03050 0.00340 -0.09402 160 4PZ 0.00761 -0.00569 0.00400 0.00102 -0.06241 161 5PX -0.07531 0.11354 -0.02289 -0.46803 -0.06160 162 5PY -0.00647 0.03063 0.10117 -0.28754 0.09493 163 5PZ -0.03280 0.03537 -0.11067 -0.01486 -0.34116 164 9 O 1S -0.00141 0.00113 -0.00355 0.00004 -0.00486 165 2S 0.00482 -0.00409 0.01856 -0.00027 0.05712 166 3S -0.01286 0.01056 -0.02218 -0.00152 0.06755 167 4PX -0.06258 0.08606 -0.01855 -0.10888 0.01652 168 4PY 0.00396 0.01890 0.06897 -0.06486 -0.03578 169 4PZ -0.03135 0.03317 -0.08042 -0.00595 0.00911 170 5PX 0.10505 -0.15396 0.00122 0.29915 0.02763 171 5PY 0.02984 -0.06401 -0.08184 0.18057 -0.02925 172 5PZ 0.06742 -0.06797 0.17200 0.01365 0.06589 146 147 148 149 150 V V V V V EIGENVALUES -- 0.97618 0.97692 0.98494 1.04035 1.04141 1 1 Cu 1S -0.01276 -0.00200 -0.00951 -0.04462 -0.13269 2 2S -0.02696 -0.01201 -0.03551 -0.10306 -0.28750 3 3S 0.15566 0.00612 0.08595 0.38321 1.43983 4 4PX -0.00669 0.00640 -0.00513 0.00685 -0.00594 5 4PY 0.01047 -0.01070 0.00897 -0.00300 -0.01088 6 4PZ 0.00900 -0.01064 0.00354 0.00564 0.00424 7 5PX 0.06331 -0.19148 -0.35858 -0.04806 0.08535 8 5PY -0.04471 0.21497 0.32729 0.05128 0.18890 9 5PZ -0.05934 0.25004 0.38419 -0.03895 -0.12848 10 6PX 0.00264 -0.02651 -0.19702 -0.03051 0.11669 11 6PY 0.04030 0.02238 0.13671 0.10886 0.23859 12 6PZ 0.03212 0.00299 0.12004 -0.08124 -0.16749 13 7D 0 0.10169 0.19411 0.04702 -0.05145 0.02083 14 7D+1 0.08247 -0.03297 -0.12334 -0.01539 0.06090 15 7D-1 0.10170 0.09468 -0.00620 0.11997 0.18101 16 7D+2 -0.13284 0.01780 0.11563 0.05676 0.07576 17 7D-2 0.11821 0.09319 -0.04879 0.02283 -0.15146 18 8D 0 -0.22236 -0.39400 -0.13299 0.09909 -0.03833 19 8D+1 -0.15718 0.06748 0.29132 0.03609 -0.09909 20 8D-1 -0.20776 -0.18946 0.01933 -0.24725 -0.38436 21 8D+2 0.25719 -0.03495 -0.28098 -0.10693 -0.13712 22 8D-2 -0.24200 -0.19599 0.08488 -0.03792 0.31961 23 2 Cu 1S -0.00380 0.00039 0.02488 0.11684 0.08434 24 2S -0.00695 -0.01433 0.01571 0.25224 0.17947 25 3S 0.10380 -0.12374 -0.66940 -1.29058 -0.98463 26 4PX -0.01009 -0.00111 0.00845 0.00988 0.00675 27 4PY 0.01549 0.00793 0.00431 0.00727 -0.00257 28 4PZ 0.01332 0.00628 0.00238 0.00073 0.00843 29 5PX 0.08743 -0.19977 -0.63405 -0.20125 -0.15432 30 5PY -0.08458 0.11862 0.43726 -0.10966 -0.00637 31 5PZ -0.08550 0.08322 0.24024 -0.02075 -0.11075 32 6PX -0.03863 -0.03036 -0.09904 -0.25613 -0.18270 33 6PY 0.05114 0.04911 0.09812 -0.11950 0.03133 34 6PZ 0.03040 0.00712 -0.08689 -0.05051 -0.08832 35 7D 0 -0.06129 0.18239 -0.15517 -0.09350 0.00084 36 7D+1 0.08271 -0.12103 -0.03065 0.08059 0.14822 37 7D-1 0.02325 0.02613 -0.06661 0.01415 0.00257 38 7D+2 -0.10273 0.16250 0.08503 0.12284 0.09548 39 7D-2 0.01630 0.02744 -0.14467 0.15160 0.01115 40 8D 0 0.13611 -0.35977 0.34074 0.18586 -0.00368 41 8D+1 -0.15598 0.25642 0.07055 -0.17158 -0.30329 42 8D-1 -0.03511 -0.03950 0.15746 0.00024 0.01379 43 8D+2 0.19118 -0.35722 -0.21913 -0.24941 -0.19215 44 8D-2 -0.01544 -0.04082 0.32281 -0.31718 -0.03486 45 3 Cu 1S -0.00011 0.00605 0.03462 -0.15439 0.00645 46 2S -0.00117 -0.00029 0.03158 -0.32774 0.01323 47 3S -0.01365 -0.08338 -0.80097 1.78456 -0.08046 48 4PX 0.00065 -0.00994 0.00415 -0.00226 0.00823 49 4PY -0.00131 0.01485 -0.00990 0.00783 0.00395 50 4PZ -0.00078 0.01682 0.00703 -0.01257 0.00151 51 5PX 0.00909 -0.07742 -0.43117 0.05483 -0.08645 52 5PY 0.03161 0.14492 0.77416 -0.17546 -0.03633 53 5PZ 0.00899 -0.01300 0.10538 0.27169 -0.02428 54 6PX 0.01907 -0.03065 0.00160 0.08930 -0.07579 55 6PY 0.00424 0.04225 -0.01227 -0.23088 -0.02610 56 6PZ -0.00010 0.02899 -0.09818 0.24148 -0.01450 57 7D 0 0.02441 0.01715 -0.17365 -0.12281 0.02245 58 7D+1 0.14657 0.00493 0.05017 -0.08219 0.09219 59 7D-1 0.10664 0.00500 -0.07203 0.21892 0.03089 60 7D+2 -0.22591 -0.02231 -0.08260 0.04368 0.04924 61 7D-2 0.12442 -0.00715 -0.12498 0.01476 -0.04670 62 8D 0 -0.05101 0.00838 0.39044 0.24172 -0.04478 63 8D+1 -0.29824 -0.02484 -0.12052 0.18102 -0.18383 64 8D-1 -0.21741 0.00645 0.17309 -0.46050 -0.06050 65 8D+2 0.46203 0.06351 0.18897 -0.07243 -0.09752 66 8D-2 -0.25539 0.03703 0.28023 -0.00231 0.09095 67 4 Cu 1S 0.00639 -0.00235 0.01974 0.10982 -0.09106 68 2S 0.01169 -0.01947 0.00763 0.23799 -0.19376 69 3S -0.13122 -0.09039 -0.57180 -1.19602 1.06352 70 4PX 0.00989 -0.00562 -0.00855 -0.01122 0.00388 71 4PY -0.01633 0.00312 -0.00271 -0.00315 0.00810 72 4PZ -0.01393 0.00375 0.00099 -0.00212 -0.00715 73 5PX -0.04427 -0.01964 -0.08092 0.19060 -0.12389 74 5PY 0.13853 0.22834 0.70960 0.08918 -0.13980 75 5PZ 0.10232 0.11610 0.29455 0.03112 0.06933 76 6PX 0.02662 -0.02896 -0.03191 0.24451 -0.11042 77 6PY -0.05287 0.05220 0.17619 0.12807 -0.18196 78 6PZ -0.03678 0.00833 -0.05953 0.00702 0.05351 79 7D 0 0.05359 0.21711 -0.12987 -0.10569 0.04967 80 7D+1 0.04702 -0.00351 0.08344 0.01563 0.07087 81 7D-1 0.05265 0.12104 0.03060 -0.01295 0.09351 82 7D+2 -0.06799 -0.03478 -0.17438 0.09871 0.01356 83 7D-2 0.05720 0.14193 0.00351 0.16983 -0.13297 84 8D 0 -0.11353 -0.43742 0.28091 0.20903 -0.09581 85 8D+1 -0.07968 -0.00737 -0.19433 -0.05021 -0.12629 86 8D-1 -0.09783 -0.25281 -0.07031 0.04847 -0.20418 87 8D+2 0.11348 0.09455 0.40474 -0.20220 -0.01953 88 8D-2 -0.10966 -0.30434 -0.03647 -0.35044 0.27443 89 5 Cu 1S 0.01042 -0.00116 -0.01570 -0.03621 0.13503 90 2S 0.02152 -0.00898 -0.04546 -0.08416 0.29470 91 3S -0.12623 0.02730 0.23057 0.30515 -1.43292 92 4PX 0.00535 0.00807 -0.00527 -0.00301 -0.01112 93 4PY -0.00867 -0.01157 0.00910 -0.00767 0.00252 94 4PZ -0.00739 -0.01107 0.00502 0.00429 -0.00610 95 5PX -0.01252 -0.13130 -0.17797 -0.00211 0.17587 96 5PY 0.07616 0.25953 0.42998 0.06545 -0.05509 97 5PZ 0.06467 0.25780 0.38173 -0.02703 0.14804 98 6PX 0.03529 -0.00886 -0.06033 -0.04064 0.23604 99 6PY -0.00475 0.02962 0.22158 0.08385 -0.06530 100 6PZ -0.02121 0.00783 0.14915 -0.07336 0.20920 101 7D 0 -0.06697 0.17225 0.08903 -0.05807 0.03379 102 7D+1 0.14265 -0.08308 0.02983 -0.05028 0.21251 103 7D-1 0.05956 0.05490 0.10803 0.09332 -0.07886 104 7D+2 -0.19864 0.07932 -0.07653 0.03259 0.12549 105 7D-2 0.05930 0.05241 0.05599 0.05002 -0.02619 106 8D 0 0.15018 -0.34885 -0.23313 0.11206 -0.06774 107 8D+1 -0.29079 0.16518 -0.07663 0.10605 -0.43432 108 8D-1 -0.11464 -0.10859 -0.25020 -0.19105 0.18598 109 8D+2 0.40190 -0.16651 0.16226 -0.06236 -0.25736 110 8D-2 -0.11294 -0.10655 -0.15370 -0.09154 0.02735 111 6 Cu 1S 0.00039 0.01234 0.01319 0.00493 -0.00142 112 2S 0.00733 0.18590 0.41823 0.01984 -0.00503 113 3S 0.08560 2.09395 5.90661 0.11582 -0.02412 114 4PX 0.01464 0.01345 0.02952 -0.00019 0.00069 115 4PY 0.00765 -0.02341 -0.04708 0.00077 0.00027 116 4PZ 0.00017 -0.00284 -0.05017 -0.00130 0.00010 117 5PX 0.04351 -0.55682 -1.47421 0.00696 -0.04078 118 5PY 0.07435 0.87891 2.35106 -0.04796 -0.01649 119 5PZ 0.02958 0.69710 1.60068 0.07683 -0.01467 120 6PX -0.03724 -0.05462 -0.09567 0.00490 -0.11231 121 6PY -0.01776 0.08677 0.14011 -0.07990 -0.04966 122 6PZ 0.00452 0.13105 0.51802 0.12665 -0.02978 123 7D 0 0.00902 0.14056 -0.04620 -0.11008 0.03406 124 7D+1 0.08936 -0.03731 0.02727 -0.01456 0.15793 125 7D-1 0.06101 0.04567 -0.04213 0.11591 0.06099 126 7D+2 -0.12498 0.03492 -0.00655 0.09991 0.10400 127 7D-2 0.06496 0.05419 -0.00985 0.11557 -0.09898 128 8D 0 -0.01738 -0.27246 0.08038 0.22094 -0.06892 129 8D+1 -0.17216 0.07397 -0.05935 0.02826 -0.31832 130 8D-1 -0.11776 -0.09131 0.09157 -0.23124 -0.12302 131 8D+2 0.24260 -0.06549 0.00809 -0.20195 -0.21155 132 8D-2 -0.12617 -0.10127 0.00826 -0.23433 0.20113 133 7 Cu 1S 0.00229 0.05520 0.09504 0.00324 -0.00087 134 2S 0.00014 -0.00197 -0.09898 0.00188 -0.00108 135 3S -0.07933 -1.97162 -4.41486 -0.08378 0.01517 136 4PX -0.01685 0.00434 0.02533 0.00049 0.00108 137 4PY -0.01059 -0.00452 -0.04046 -0.00017 0.00062 138 4PZ -0.00160 -0.03068 -0.03324 -0.00143 0.00035 139 5PX 0.00661 -0.35989 -0.90027 -0.00739 -0.02367 140 5PY 0.03547 0.56654 1.42703 -0.00693 -0.01294 141 5PZ 0.01959 0.47927 1.10329 0.05085 -0.01022 142 6PX 0.09332 -0.13752 -0.38860 -0.00937 0.05093 143 6PY 0.06886 0.20728 0.62424 0.04291 0.01972 144 6PZ 0.01001 0.19392 0.14446 -0.03015 0.00902 145 7D 0 0.00817 0.12502 -0.05502 -0.12127 0.03645 146 7D+1 0.08177 -0.06163 -0.06980 -0.01373 0.16671 147 7D-1 0.05797 0.08628 0.11144 0.12231 0.06638 148 7D+2 -0.11374 0.01471 -0.06577 0.10207 0.10250 149 7D-2 0.05699 0.01216 -0.13414 0.11839 -0.09910 150 8D 0 -0.01470 -0.22571 0.11142 0.23114 -0.06907 151 8D+1 -0.14909 0.12688 0.16421 0.02633 -0.31664 152 8D-1 -0.10703 -0.17997 -0.26206 -0.23415 -0.12610 153 8D+2 0.20849 -0.01694 0.14566 -0.19516 -0.19471 154 8D-2 -0.10360 -0.00134 0.29894 -0.22612 0.18797 155 8 C 1S 0.00011 0.00358 -0.01089 0.00130 -0.00025 156 2S -0.00037 -0.02896 0.17388 0.02022 -0.00345 157 3S 0.01018 0.29239 0.42576 -0.07198 0.01548 158 4PX -0.04210 0.00788 0.04518 0.00229 0.01195 159 4PY -0.02657 -0.00654 -0.07285 0.00161 0.00556 160 4PZ -0.00362 -0.06314 -0.01590 -0.01476 0.00436 161 5PX -0.07471 -0.11434 -0.22887 -0.00181 0.03108 162 5PY -0.03553 0.18762 0.35699 0.02955 0.01306 163 5PZ -0.00015 0.05338 0.27274 -0.03781 0.00582 164 9 O 1S -0.00013 -0.00402 -0.00054 -0.00099 0.00016 165 2S 0.00144 0.03822 0.03703 0.00552 -0.00009 166 3S -0.00080 -0.01653 -0.02807 0.01602 -0.00533 167 4PX -0.02209 -0.01089 0.03293 -0.00293 -0.01000 168 4PY -0.01286 0.01759 -0.05879 0.00145 -0.00677 169 4PZ -0.00039 0.01207 0.06649 0.01394 -0.00468 170 5PX 0.07516 0.03296 0.03020 -0.00104 0.00660 171 5PY 0.04271 -0.05654 -0.03727 -0.00204 0.00228 172 5PZ 0.00236 -0.00176 -0.18046 -0.00798 0.00473 151 152 153 154 155 V V V V V EIGENVALUES -- 1.06165 1.09665 1.15576 1.16172 1.21976 1 1 Cu 1S -0.00260 0.00442 0.07553 0.08165 0.08466 2 2S -0.00599 0.04173 0.00353 0.01007 0.13697 3 3S 0.02777 0.25476 -2.70262 -2.79979 -0.78272 4 4PX -0.00023 0.00228 0.01528 0.01217 0.00781 5 4PY -0.00012 -0.00316 0.02752 0.02571 -0.00189 6 4PZ 0.00021 -0.00391 -0.01921 -0.02466 -0.01396 7 5PX 0.00163 -0.15931 0.29342 -1.16938 0.06753 8 5PY 0.00309 0.05218 -0.78976 -0.90554 -0.12383 9 5PZ -0.00298 -0.00651 1.14272 0.13318 0.38134 10 6PX 0.00202 -0.06059 0.12977 -0.20729 -0.12243 11 6PY 0.00429 -0.09358 -0.21368 -0.25732 -0.06133 12 6PZ -0.00389 -0.02515 0.18603 -0.02942 0.10773 13 7D 0 0.14637 0.03685 0.11148 -0.10250 0.04869 14 7D+1 0.06603 -0.02403 0.04303 -0.04239 0.02081 15 7D-1 0.10878 -0.11502 -0.17966 -0.04271 -0.03381 16 7D+2 -0.09902 0.05707 -0.03080 0.04208 0.03064 17 7D-2 0.13769 0.11374 -0.00587 0.17411 -0.02515 18 8D 0 -0.31417 -0.08006 -0.30839 0.29344 -0.12576 19 8D+1 -0.14093 0.08065 -0.13524 0.10497 -0.07522 20 8D-1 -0.23337 0.24833 0.47193 0.09192 0.10458 21 8D+2 0.21283 -0.12024 0.08097 -0.13015 -0.06781 22 8D-2 -0.29555 -0.25810 0.04452 -0.48000 0.06606 23 2 Cu 1S 0.00165 0.05798 -0.05793 0.11346 0.04181 24 2S 0.00332 0.12093 -0.02195 0.03000 0.09212 25 3S -0.02353 -0.67735 1.77824 -3.57926 0.08121 26 4PX 0.00008 0.01003 -0.02227 0.04378 0.00479 27 4PY 0.00016 0.00166 -0.00534 0.01089 -0.00717 28 4PZ 0.00046 0.00209 -0.00211 0.01648 -0.01301 29 5PX -0.00400 -0.30030 0.51738 -1.34692 -0.13818 30 5PY -0.00282 0.09968 -0.53418 -0.79284 -0.06041 31 5PZ -0.00376 -0.18956 1.03497 -0.12094 0.42454 32 6PX -0.00424 -0.09049 0.10033 -0.24632 -0.00861 33 6PY 0.00121 0.01626 -0.08644 -0.23788 0.00601 34 6PZ -0.00229 -0.11729 0.27795 -0.08265 -0.10047 35 7D 0 0.18851 -0.02869 -0.07324 -0.07482 -0.05847 36 7D+1 -0.08768 0.09528 -0.16369 0.02070 -0.09418 37 7D-1 0.02631 -0.10810 0.01851 -0.06496 -0.01649 38 7D+2 0.12768 0.13496 -0.03420 0.07793 0.00883 39 7D-2 0.06097 0.04765 0.09137 0.15136 -0.01098 40 8D 0 -0.40430 0.06294 0.21754 0.19585 0.16238 41 8D+1 0.18864 -0.22200 0.45908 -0.03551 0.24548 42 8D-1 -0.05593 0.23100 -0.06254 0.18616 0.02807 43 8D+2 -0.27388 -0.31367 0.09100 -0.18668 -0.02677 44 8D-2 -0.13107 -0.08967 -0.26255 -0.41013 0.00420 45 3 Cu 1S 0.00017 0.08160 -0.11778 -0.01741 0.01653 46 2S 0.00041 0.15164 -0.02417 -0.00332 0.06081 47 3S -0.00167 -1.13101 3.75604 0.55392 0.39230 48 4PX 0.00024 0.00310 -0.01205 -0.00406 0.00650 49 4PY 0.00012 -0.00853 0.03223 0.00318 -0.01083 50 4PZ 0.00004 0.01147 -0.03686 -0.00614 -0.01448 51 5PX -0.00445 -0.14582 0.45414 -1.06927 -0.11235 52 5PY -0.00232 0.30237 -0.76931 -0.71688 0.25042 53 5PZ -0.00073 -0.31891 1.24409 0.05151 0.30353 54 6PX -0.00054 -0.03771 0.04596 -0.23723 0.05451 55 6PY 0.00010 0.07414 -0.07522 -0.14271 -0.10367 56 6PZ -0.00016 -0.10754 0.33606 0.01838 -0.07462 57 7D 0 -0.02578 -0.01934 -0.03705 0.03029 -0.08311 58 7D+1 -0.11459 0.10570 -0.08645 0.15483 -0.01305 59 7D-1 -0.08500 -0.17594 0.11883 0.09344 0.01255 60 7D+2 0.17559 0.00116 -0.01635 0.10721 -0.06446 61 7D-2 -0.10123 0.03777 -0.01643 -0.10122 -0.08877 62 8D 0 0.05528 0.04267 0.08811 -0.08910 0.19324 63 8D+1 0.24561 -0.23816 0.23463 -0.44514 0.03864 64 8D-1 0.18221 0.39636 -0.30490 -0.26087 -0.02487 65 8D+2 -0.37658 0.00431 0.05893 -0.30167 0.17673 66 8D-2 0.21708 -0.07292 0.05910 0.28866 0.24031 67 4 Cu 1S -0.00190 0.04933 -0.02552 -0.12374 0.05112 68 2S -0.00383 0.10882 -0.01449 -0.03126 0.10188 69 3S 0.02742 -0.52019 0.74116 3.95673 -0.07731 70 4PX 0.00030 -0.00576 0.00662 0.03967 0.00408 71 4PY 0.00005 -0.00689 0.00626 0.03420 -0.00724 72 4PZ -0.00042 -0.00057 0.00443 -0.00679 -0.01186 73 5PX -0.00569 0.07087 0.34217 -1.36120 0.11468 74 5PY -0.00293 0.29617 -0.60552 -0.88342 0.03119 75 5PZ 0.00279 -0.14125 0.98814 0.09920 0.43561 76 6PX -0.00255 0.05249 0.05921 -0.34024 0.02443 77 6PY -0.00469 0.08888 -0.13706 -0.11593 0.05071 78 6PZ 0.00163 -0.10781 0.24954 0.08571 -0.08424 79 7D 0 -0.20364 -0.03385 -0.03427 0.05199 -0.01847 80 7D+1 0.02058 0.05529 0.13038 -0.06083 0.08358 81 7D-1 -0.07711 -0.10127 0.12912 0.07218 0.06367 82 7D+2 -0.01732 -0.03068 0.11354 -0.06322 -0.00539 83 7D-2 -0.12605 0.15966 0.00434 -0.13873 -0.01763 84 8D 0 0.43701 0.07955 0.10304 -0.12258 0.05761 85 8D+1 -0.04332 -0.10546 -0.36353 0.17700 -0.21739 86 8D-1 0.16546 0.22416 -0.37253 -0.19745 -0.17433 87 8D+2 0.03721 0.08678 -0.32335 0.17252 -0.01151 88 8D-2 0.27033 -0.36312 -0.00678 0.34819 0.03473 89 5 Cu 1S 0.00271 -0.00215 0.09387 -0.05357 0.08932 90 2S 0.00621 0.03170 0.00360 -0.00453 0.13995 91 3S -0.02895 0.36800 -3.37521 1.86458 -0.93123 92 4PX -0.00018 0.00296 -0.03248 0.01444 -0.00201 93 4PY -0.00006 -0.00381 0.00686 -0.00562 -0.00623 94 4PZ -0.00027 -0.00326 -0.03150 0.02000 -0.01673 95 5PX 0.00289 -0.00080 0.63702 -1.21592 0.08768 96 5PY -0.00136 0.14347 -0.65172 -0.65953 -0.12363 97 5PZ 0.00373 0.00746 1.22058 -0.08300 0.37807 98 6PX 0.00425 0.09972 0.16008 -0.29111 0.09684 99 6PY -0.00154 -0.01413 -0.23007 -0.09594 0.04792 100 6PZ 0.00464 -0.00359 0.17965 0.02579 0.15600 101 7D 0 -0.10031 0.06837 0.09692 0.09597 0.04009 102 7D+1 0.13778 0.11105 0.11472 -0.09863 0.00736 103 7D-1 0.03785 -0.04366 -0.14486 -0.07744 -0.02998 104 7D+2 -0.18780 0.05216 0.00890 -0.13610 -0.02519 105 7D-2 0.02492 0.08877 0.01056 -0.09520 0.02856 106 8D 0 0.21554 -0.15933 -0.25348 -0.28027 -0.09500 107 8D+1 -0.29521 -0.25574 -0.27793 0.25806 -0.02100 108 8D-1 -0.08072 0.07410 0.39502 0.22430 0.10552 109 8D+2 0.40312 -0.12199 -0.00329 0.38088 0.06291 110 8D-2 -0.05394 -0.18516 -0.02885 0.27562 -0.07173 111 6 Cu 1S -0.00005 0.02186 0.07671 0.00243 -0.02602 112 2S -0.00019 0.14840 0.21816 0.00596 -0.09280 113 3S -0.00143 0.41670 -0.38582 -0.01045 1.52276 114 4PX 0.00026 -0.00359 0.01362 -0.02953 0.00284 115 4PY 0.00014 0.00580 -0.02054 -0.01887 -0.00503 116 4PZ 0.00004 -0.00460 0.01896 0.00032 0.02417 117 5PX -0.00273 -0.57961 0.12806 -0.79187 -0.31863 118 5PY -0.00179 0.93062 -0.18062 -0.49326 0.52131 119 5PZ -0.00062 0.48356 1.04822 0.02253 0.07810 120 6PX -0.00186 -0.01326 0.16112 -0.22094 0.09015 121 6PY -0.00080 0.03129 -0.25017 -0.15261 -0.15796 122 6PZ -0.00070 -0.21218 0.09151 0.00027 0.37772 123 7D 0 0.00116 0.00039 -0.15744 -0.00217 0.01149 124 7D+1 0.00487 0.05955 0.08545 0.09117 -0.19000 125 7D-1 0.00227 -0.09411 -0.13939 0.05404 0.30032 126 7D+2 0.00014 0.03458 -0.01266 -0.14533 -0.09260 127 7D-2 -0.00121 0.07247 -0.03048 0.06811 -0.19619 128 8D 0 -0.00241 0.00338 0.46679 0.00655 -0.02066 129 8D+1 -0.01016 -0.10678 -0.21594 -0.27231 0.47842 130 8D-1 -0.00479 0.16809 0.35381 -0.16350 -0.75605 131 8D+2 0.00000 -0.05853 0.05702 0.43362 0.23253 132 8D-2 0.00238 -0.12348 0.13151 -0.20229 0.49314 133 7 Cu 1S 0.00001 -0.12840 -0.08214 -0.00223 0.07997 134 2S 0.00007 -0.31648 -0.21291 -0.00530 0.15456 135 3S 0.00029 0.90091 0.11265 0.00956 -0.45517 136 4PX -0.00033 -0.01134 0.01249 -0.02469 -0.00638 137 4PY -0.00018 0.01821 -0.01893 -0.01585 0.01004 138 4PZ -0.00002 0.00740 0.01738 0.00029 0.01812 139 5PX 0.00005 -0.01305 0.28849 -1.01651 0.08158 140 5PY -0.00018 0.02734 -0.42088 -0.64998 -0.12565 141 5PZ -0.00011 -0.19407 1.02982 0.01363 0.17532 142 6PX -0.00060 -0.00488 0.29905 -0.72330 -0.10336 143 6PY -0.00068 0.00982 -0.44601 -0.46468 0.16937 144 6PZ 0.00023 -0.09641 0.61272 0.00497 0.21475 145 7D 0 0.00122 -0.01159 0.11712 0.00136 0.00027 146 7D+1 0.00540 0.13169 -0.04572 -0.06919 0.11692 147 7D-1 0.00251 -0.20813 0.07383 -0.04288 -0.18525 148 7D+2 0.00116 0.07227 0.01616 0.10989 0.06661 149 7D-2 -0.00174 0.15232 0.03973 -0.05108 0.14210 150 8D 0 -0.00240 0.03787 -0.35475 -0.00414 -0.02005 151 8D+1 -0.01061 -0.28179 0.12374 0.21499 -0.26786 152 8D-1 -0.00496 0.44489 -0.20092 0.13296 0.42456 153 8D+2 -0.00227 -0.14924 -0.05655 -0.33607 -0.16032 154 8D-2 0.00337 -0.31523 -0.13582 0.15639 -0.34245 155 8 C 1S 0.00000 0.01499 -0.00480 -0.00040 -0.02793 156 2S -0.00016 -0.55174 -0.29469 -0.01103 0.30945 157 3S 0.00042 1.29703 0.32743 0.01345 -0.11479 158 4PX -0.00039 0.10743 0.02031 0.01109 -0.26073 159 4PY -0.00019 -0.17423 -0.03379 0.00849 0.42179 160 4PZ 0.00004 -0.04911 -0.01244 0.00076 0.12575 161 5PX -0.00032 -0.23450 -0.01703 -0.32847 -0.04109 162 5PY -0.00036 0.37364 0.04396 -0.19576 0.06698 163 5PZ 0.00000 0.21626 0.30347 0.00587 0.12657 164 9 O 1S 0.00000 0.00012 0.01669 0.00068 -0.00654 165 2S 0.00004 0.01186 -0.23191 -0.01026 -0.02839 166 3S -0.00015 -0.13130 0.23847 0.01249 0.29042 167 4PX -0.00061 -0.00088 0.04480 -0.10350 -0.05817 168 4PY -0.00033 0.00144 -0.06656 -0.06611 0.09633 169 4PZ -0.00020 -0.00561 0.04904 -0.00038 0.01210 170 5PX 0.00136 0.07456 -0.12429 0.28772 -0.04880 171 5PY 0.00076 -0.12057 0.18605 0.18690 0.07919 172 5PZ 0.00033 -0.02760 -0.17263 -0.00060 -0.03481 156 157 158 159 160 V V V V V EIGENVALUES -- 1.24819 1.24850 1.27510 1.27870 1.32532 1 1 Cu 1S -0.00515 -0.02751 -0.00134 0.00023 0.02087 2 2S -0.00898 -0.06952 -0.00660 -0.00026 0.09897 3 3S 0.03460 -0.48256 -0.00238 0.12028 0.69689 4 4PX 0.01871 0.01529 -0.00207 0.01328 0.01510 5 4PY 0.00167 0.00949 -0.00885 -0.02333 -0.00714 6 4PZ 0.01454 -0.02141 -0.01044 -0.01155 0.01984 7 5PX -0.09789 -0.27051 -0.04021 -0.23559 -0.22490 8 5PY -0.00748 -0.18430 0.15341 0.45017 0.49422 9 5PZ -0.09844 0.36919 0.13869 0.22014 -0.38840 10 6PX 0.07973 0.07984 0.02456 0.14272 0.56869 11 6PY 0.01629 -0.03887 -0.08867 -0.21940 -0.23445 12 6PZ 0.05043 -0.07135 -0.08072 -0.15709 0.20668 13 7D 0 -0.03336 0.06790 0.06263 0.13423 -0.04814 14 7D+1 -0.00778 -0.27227 -0.01652 -0.03319 0.02447 15 7D-1 0.02089 -0.06046 -0.01261 0.01148 0.06958 16 7D+2 0.00778 -0.10539 0.07632 0.22097 0.13854 17 7D-2 0.02986 0.02560 -0.01071 0.03079 0.06926 18 8D 0 0.07827 -0.17123 -0.17270 -0.35057 0.12021 19 8D+1 0.01681 0.70030 0.03822 0.08546 -0.10297 20 8D-1 -0.05463 0.15159 0.02423 -0.02841 -0.19095 21 8D+2 -0.01654 0.27446 -0.19586 -0.58999 -0.43065 22 8D-2 -0.07632 -0.06339 0.01566 -0.07766 -0.20307 23 2 Cu 1S 0.01049 0.02683 -0.00477 -0.00023 0.03562 24 2S 0.02935 0.06550 -0.01212 -0.00824 0.15823 25 3S 0.28214 0.35304 -0.10774 -0.16594 1.11963 26 4PX -0.01412 -0.02333 -0.00740 -0.00177 -0.01556 27 4PY 0.01416 -0.00732 0.01603 0.01866 0.00442 28 4PZ -0.01520 0.00798 0.02123 0.00527 -0.01496 29 5PX 0.27379 0.41150 0.12513 0.02545 0.55496 30 5PY -0.07662 0.02432 -0.36577 -0.28705 0.25944 31 5PZ 0.09545 -0.03147 -0.33786 -0.19089 0.55426 32 6PX -0.03353 -0.08414 -0.10786 -0.07151 0.10407 33 6PY 0.08056 0.01378 0.17685 0.12880 -0.13262 34 6PZ -0.03382 0.09729 0.17943 0.08110 -0.46629 35 7D 0 0.05791 0.12090 0.06362 0.01410 0.00060 36 7D+1 -0.03909 -0.00317 0.10378 0.05450 -0.10747 37 7D-1 -0.11271 -0.15866 0.14748 0.10599 -0.13335 38 7D+2 -0.11134 -0.16444 -0.08993 -0.05732 -0.04220 39 7D-2 0.05100 0.02232 0.10609 0.08467 -0.00296 40 8D 0 -0.14725 -0.31407 -0.15706 -0.05033 -0.01161 41 8D+1 0.09447 0.00987 -0.27436 -0.14161 0.30947 42 8D-1 0.29399 0.41350 -0.38937 -0.28306 0.44811 43 8D+2 0.28724 0.42083 0.24095 0.14124 0.12581 44 8D-2 -0.12486 -0.06271 -0.27933 -0.22478 0.01265 45 3 Cu 1S -0.03329 -0.01079 0.00393 0.00027 -0.00367 46 2S -0.08110 -0.02652 0.01673 -0.00082 -0.01641 47 3S -0.40841 -0.14566 0.20204 -0.02459 -0.11932 48 4PX 0.00156 0.02276 0.01158 -0.00998 0.02662 49 4PY -0.02232 0.00367 -0.01722 -0.00427 0.01270 50 4PZ 0.01302 0.00707 -0.02470 0.00039 0.00450 51 5PX -0.11182 -0.16970 -0.22398 0.04801 -0.40390 52 5PY 0.35147 0.06334 0.30033 0.00967 -0.17880 53 5PZ -0.24796 -0.09879 0.47389 -0.02530 -0.11838 54 6PX 0.02633 0.08378 0.13919 -0.05700 0.59063 55 6PY -0.10041 0.00250 -0.21841 -0.01558 0.33860 56 6PZ -0.01923 0.00040 -0.19555 0.00242 0.09854 57 7D 0 0.08537 0.03692 -0.26660 0.01069 0.03269 58 7D+1 -0.01232 0.03315 0.06846 -0.02608 0.10714 59 7D-1 -0.09502 -0.01651 -0.03604 -0.00937 0.04196 60 7D+2 -0.16091 -0.03263 -0.03474 -0.00506 0.07233 61 7D-2 -0.20462 -0.09645 -0.04047 0.00708 -0.07389 62 8D 0 -0.21949 -0.09508 0.70173 -0.03134 -0.09573 63 8D+1 0.03371 -0.08314 -0.18118 0.05449 -0.29594 64 8D-1 0.24040 0.04083 0.09294 0.01607 -0.11785 65 8D+2 0.41261 0.09233 0.08979 0.02365 -0.19448 66 8D-2 0.53151 0.24440 0.10383 -0.02309 0.20694 67 4 Cu 1S 0.02297 -0.01292 -0.00451 0.00039 -0.03604 68 2S 0.06041 -0.02990 -0.00830 0.00792 -0.16278 69 3S 0.45649 -0.09892 -0.06207 0.17238 -1.16013 70 4PX 0.00986 -0.01394 -0.01082 0.01630 -0.01035 71 4PY 0.02571 0.00172 0.01207 -0.01278 -0.01534 72 4PZ -0.00226 -0.01925 0.01972 -0.00608 0.00808 73 5PX -0.23293 0.12092 0.24844 -0.28629 0.68685 74 5PY -0.41827 0.08432 -0.25956 0.19689 0.33827 75 5PZ -0.03516 0.13608 -0.29679 0.19532 -0.36937 76 6PX -0.02408 -0.03862 -0.11016 0.09337 -0.20982 77 6PY 0.09861 -0.00477 0.15143 -0.14009 0.16997 78 6PZ 0.03935 -0.11571 0.16948 -0.10204 0.37902 79 7D 0 0.15111 -0.05683 0.00598 0.02054 -0.06376 80 7D+1 0.12791 -0.00451 -0.15671 0.11785 -0.15053 81 7D-1 -0.14031 0.07193 -0.02689 0.00019 0.01967 82 7D+2 0.08157 -0.00130 0.14607 -0.13707 0.03534 83 7D-2 -0.15147 0.05053 -0.02324 0.01485 0.06182 84 8D 0 -0.38858 0.15187 -0.00365 -0.04298 0.20438 85 8D+1 -0.33135 0.01608 0.41127 -0.31602 0.48520 86 8D-1 0.36642 -0.18284 0.07033 0.00333 -0.09507 87 8D+2 -0.20567 0.00884 -0.38581 0.36097 -0.11690 88 8D-2 0.38816 -0.12645 0.06594 -0.03016 -0.18131 89 5 Cu 1S -0.02341 0.02124 -0.00225 0.00131 -0.01483 90 2S -0.05427 0.05390 -0.00696 0.00530 -0.07324 91 3S -0.25146 0.38003 0.00917 -0.10861 -0.53286 92 4PX -0.01833 0.00065 0.00889 -0.01479 0.01007 93 4PY -0.01554 -0.00599 0.00023 0.02283 0.02035 94 4PZ -0.00714 0.02558 -0.00723 0.01266 -0.01667 95 5PX 0.19054 -0.13427 -0.11194 0.28993 0.08089 96 5PY 0.11611 -0.01765 0.05342 -0.43093 -0.49823 97 5PZ 0.21095 -0.37304 0.09965 -0.23651 0.34253 98 6PX -0.04606 -0.03708 0.05622 -0.13885 0.24028 99 6PY -0.09730 0.03051 -0.03737 0.23337 0.63198 100 6PZ -0.03506 0.08832 -0.05825 0.16752 -0.16907 101 7D 0 0.07730 -0.14123 0.05057 -0.14693 0.06719 102 7D+1 0.10594 -0.12713 -0.00161 0.02260 0.01748 103 7D-1 0.10994 -0.10034 0.00272 -0.05433 -0.07036 104 7D+2 0.04780 -0.01885 -0.03533 0.05076 -0.04390 105 7D-2 -0.07413 0.11746 0.04248 -0.21504 -0.13796 106 8D 0 -0.20136 0.35614 -0.13863 0.38484 -0.18240 107 8D+1 -0.26689 0.32766 0.01416 -0.05982 -0.06246 108 8D-1 -0.28119 0.26305 -0.00540 0.14270 0.17855 109 8D+2 -0.12328 0.04779 0.07766 -0.13867 0.11761 110 8D-2 0.19580 -0.30367 -0.11187 0.57313 0.42529 111 6 Cu 1S 0.00445 0.00069 0.00473 -0.00076 -0.00013 112 2S 0.01556 0.00265 0.01139 -0.00192 -0.00079 113 3S -0.12718 -0.00231 -0.08142 0.01254 -0.00973 114 4PX -0.00061 -0.00062 -0.00066 -0.00061 -0.01479 115 4PY 0.00151 -0.00035 0.00051 -0.00050 -0.00908 116 4PZ -0.00186 -0.00004 0.00034 0.00004 -0.00014 117 5PX 0.01761 0.02301 0.01635 -0.01598 0.75799 118 5PY -0.03963 0.01722 -0.02993 -0.00218 0.45337 119 5PZ 0.00676 0.00218 0.00324 -0.00891 0.01230 120 6PX 0.00643 -0.03583 0.00288 0.01393 0.30758 121 6PY -0.00216 -0.02546 -0.01114 0.00802 0.17956 122 6PZ -0.00164 0.00346 -0.00433 0.00588 0.01695 123 7D 0 -0.13957 -0.00836 -0.09879 0.02957 -0.00341 124 7D+1 -0.06599 0.16945 0.00087 0.11607 -0.08098 125 7D-1 0.07041 0.11365 0.08367 0.04878 -0.05229 126 7D+2 0.06833 0.15409 0.07736 0.06002 0.11246 127 7D-2 0.18062 -0.05875 0.09082 -0.06326 -0.05631 128 8D 0 0.38746 0.02384 0.27967 -0.08376 0.00975 129 8D+1 0.18743 -0.47011 -0.00128 -0.32993 0.23299 130 8D-1 -0.20266 -0.31665 -0.23903 -0.13824 0.15084 131 8D+2 -0.18839 -0.42833 -0.21865 -0.17023 -0.32676 132 8D-2 -0.49730 0.16363 -0.25584 0.17908 0.16326 133 7 Cu 1S -0.00532 0.00001 -0.00729 0.00058 -0.00146 134 2S -0.01018 -0.00009 -0.01484 0.00104 -0.00326 135 3S 0.02888 -0.00299 0.05177 -0.00647 0.00726 136 4PX 0.00047 -0.00019 -0.00008 0.00081 -0.03971 137 4PY -0.00106 -0.00029 0.00066 0.00024 -0.02371 138 4PZ -0.00041 0.00005 -0.00149 0.00025 -0.00175 139 5PX -0.00050 -0.00850 0.00167 -0.03602 1.60676 140 5PY 0.00808 -0.00304 -0.02650 -0.01439 0.95598 141 5PZ -0.01224 -0.00037 0.02202 -0.00689 0.06751 142 6PX 0.00427 0.00842 0.00458 -0.02154 -1.03733 143 6PY -0.01331 0.00571 -0.01676 -0.00689 -0.61741 144 6PZ -0.01312 -0.00086 -0.00495 -0.00464 -0.04737 145 7D 0 -0.06331 -0.00976 0.17293 -0.05698 0.01363 146 7D+1 -0.03419 0.05751 0.00415 -0.23039 0.18452 147 7D-1 0.05601 0.04668 -0.15262 -0.09258 0.12256 148 7D+2 0.02631 0.05181 -0.13145 -0.12397 -0.27698 149 7D-2 0.05568 -0.01379 -0.15231 0.12982 0.14100 150 8D 0 0.17334 0.02619 -0.47727 0.15902 -0.03909 151 8D+1 0.09156 -0.15847 -0.01355 0.64605 -0.52619 152 8D-1 -0.14889 -0.12783 0.42651 0.25872 -0.34957 153 8D+2 -0.07371 -0.14449 0.36652 0.34964 0.79256 154 8D-2 -0.15692 0.03894 0.42413 -0.36587 -0.40358 155 8 C 1S 0.00410 0.00043 0.00102 -0.00011 -0.00005 156 2S -0.04525 -0.00515 -0.02353 0.00553 0.00222 157 3S 0.03304 0.00517 -0.00421 -0.00239 -0.00700 158 4PX 0.01645 0.02305 0.00483 0.01334 0.05271 159 4PY -0.03268 0.01034 0.00169 0.00652 0.03333 160 4PZ -0.03446 -0.00342 -0.01787 0.00369 0.00186 161 5PX -0.00357 0.00178 -0.00642 -0.02466 -0.14422 162 5PY 0.00531 0.00357 -0.00692 -0.01450 -0.09117 163 5PZ -0.01118 0.00043 0.01626 -0.00501 -0.00474 164 9 O 1S -0.00057 -0.00010 0.00057 -0.00011 0.00001 165 2S 0.01135 0.00132 -0.01285 0.00282 -0.00034 166 3S -0.02896 -0.00250 0.01887 -0.00415 0.00098 167 4PX 0.00012 -0.00155 -0.00240 -0.00608 -0.01208 168 4PY -0.00103 -0.00087 -0.00294 -0.00378 -0.00739 169 4PZ 0.00446 0.00125 0.00833 -0.00098 -0.00016 170 5PX 0.01054 -0.00729 -0.00111 0.01637 0.03303 171 5PY -0.01264 -0.00597 0.01619 0.00594 0.02152 172 5PZ 0.00534 -0.00123 -0.01268 0.00174 0.00077 161 162 163 164 165 V V V V V EIGENVALUES -- 1.32683 1.33927 1.34344 1.35089 1.64009 1 1 Cu 1S -0.00322 0.01406 0.00222 0.00385 -0.11377 2 2S -0.06206 0.05298 0.00672 -0.04687 -0.23504 3 3S -0.75727 0.18603 0.01982 -0.83715 -0.37869 4 4PX 0.01837 0.00431 -0.01273 0.01982 0.00621 5 4PY 0.00844 -0.00036 -0.00114 0.00374 0.00485 6 4PZ 0.00330 0.01127 -0.00802 -0.00504 0.00013 7 5PX -0.21796 0.16109 1.36178 -0.65237 -0.25180 8 5PY -0.64734 -0.34190 0.07355 0.16205 -0.20895 9 5PZ -0.10630 -0.61128 0.88038 0.53541 0.05532 10 6PX 0.16539 -0.00016 -2.33127 0.44004 0.25140 11 6PY 0.36882 0.25653 -0.12227 -0.19129 0.29557 12 6PZ 0.47354 0.49348 -1.53914 -0.08894 0.03119 13 7D 0 -0.11918 -0.11901 0.13876 0.07314 -0.01673 14 7D+1 -0.05644 0.10900 0.07548 -0.16008 -0.05555 15 7D-1 0.00811 0.03674 -0.09293 0.02924 0.00166 16 7D+2 -0.09534 -0.07315 -0.06688 0.06823 -0.01764 17 7D-2 0.04926 0.04387 -0.15576 0.05924 0.02223 18 8D 0 0.34802 0.36380 -0.43475 -0.22119 0.05866 19 8D+1 0.18196 -0.33165 -0.23722 0.49274 0.17698 20 8D-1 -0.02600 -0.09991 0.29209 -0.08147 -0.01123 21 8D+2 0.32482 0.21628 0.20905 -0.19452 0.06077 22 8D-2 -0.12965 -0.12315 0.48789 -0.16258 -0.06740 23 2 Cu 1S 0.02528 0.00881 -0.00504 0.01978 -0.31522 24 2S 0.08098 0.05495 -0.01206 0.05718 -0.65067 25 3S 0.34625 0.67945 0.01606 0.09753 0.40083 26 4PX -0.00701 -0.01104 0.00139 -0.00373 0.00468 27 4PY -0.01918 0.00654 0.01139 -0.01476 -0.00720 28 4PZ 0.01316 -0.00192 -0.01165 0.01140 0.00407 29 5PX 0.18213 0.67179 -0.12021 0.27620 -0.23042 30 5PY 0.49139 -0.56903 -1.12975 0.05871 0.01063 31 5PZ -0.00682 -0.39118 1.18205 -0.32314 -0.33265 32 6PX 0.01388 -0.29419 0.21677 -0.23215 0.12999 33 6PY -0.57514 0.38576 1.91535 -0.17215 -0.24278 34 6PZ 0.25144 0.31601 -2.04670 0.39906 0.22898 35 7D 0 0.03716 0.07805 -0.10862 0.10378 -0.00575 36 7D+1 0.03836 0.07422 -0.15734 0.06637 0.04608 37 7D-1 -0.07749 0.03191 0.00774 -0.00338 0.01951 38 7D+2 0.00422 -0.16013 -0.03339 -0.04418 0.03476 39 7D-2 -0.12379 0.12923 0.16576 -0.02163 -0.01946 40 8D 0 -0.10884 -0.24519 0.33930 -0.29974 0.00813 41 8D+1 -0.09662 -0.22619 0.49270 -0.20117 -0.15338 42 8D-1 0.24673 -0.08901 -0.02511 0.02147 -0.05408 43 8D+2 -0.01594 0.48067 0.10327 0.14387 -0.10211 44 8D-2 0.34427 -0.39045 -0.51709 0.04652 0.05659 45 3 Cu 1S 0.05137 -0.00013 0.00068 0.01269 -0.38340 46 2S 0.18673 -0.00403 0.00139 0.08249 -0.78357 47 3S 0.95998 -0.10013 -0.00587 1.02761 0.94102 48 4PX -0.00036 0.01043 0.01530 -0.00219 0.00213 49 4PY 0.00842 0.00389 0.00807 0.01087 -0.00204 50 4PZ -0.01617 0.00134 0.00179 -0.00846 -0.00222 51 5PX -0.11312 -0.18974 -1.45638 0.41227 0.00740 52 5PY -0.04452 0.02551 -0.76421 -0.85573 0.00382 53 5PZ 0.91324 0.01778 -0.16955 -0.03050 -0.30021 54 6PX 0.27469 0.17205 2.47763 -0.17085 0.11883 55 6PY -0.32823 0.02763 1.30784 0.40953 -0.14634 56 6PZ -0.43719 -0.02301 0.29156 0.18728 -0.06475 57 7D 0 -0.19658 -0.00676 0.03708 0.10705 0.02447 58 7D+1 0.03650 0.06258 0.19077 -0.02795 0.01273 59 7D-1 0.02901 0.02429 0.08268 0.07699 -0.03347 60 7D+2 0.02464 -0.01314 0.11198 0.11160 -0.01468 61 7D-2 0.02097 -0.02318 -0.10462 0.14051 -0.01989 62 8D 0 0.60797 0.02350 -0.11541 -0.32049 -0.07805 63 8D+1 -0.12543 -0.17242 -0.59361 0.07728 -0.04369 64 8D-1 -0.06875 -0.06381 -0.25711 -0.22077 0.10632 65 8D+2 -0.08829 0.03157 -0.34919 -0.35120 0.03498 66 8D-2 -0.09293 0.07377 0.32576 -0.44774 0.04622 67 4 Cu 1S 0.01959 -0.01530 0.00366 0.01918 -0.29188 68 2S 0.05674 -0.07116 0.00850 0.04220 -0.60315 69 3S 0.19474 -0.64194 -0.01681 -0.15740 0.27965 70 4PX 0.01549 -0.00239 0.00771 0.01096 0.00222 71 4PY -0.00830 -0.01269 -0.00651 -0.01029 -0.00874 72 4PZ 0.01788 -0.00153 0.01264 0.01396 0.00458 73 5PX -0.37324 -0.17187 -0.76944 -0.13950 0.16651 74 5PY 0.12926 0.86823 0.66168 0.05293 0.24782 75 5PZ -0.18285 0.51968 -1.28477 -0.31295 -0.29167 76 6PX 0.36598 0.19597 1.30577 0.24639 0.05564 77 6PY -0.30084 -0.46237 -1.11012 -0.04021 -0.26689 78 6PZ 0.38484 -0.39327 2.22397 0.43180 0.26568 79 7D 0 0.02604 -0.05927 0.04855 0.06113 -0.02198 80 7D+1 -0.02452 0.07661 -0.13804 -0.06409 -0.04360 81 7D-1 -0.08196 0.10077 -0.13434 -0.06103 -0.01710 82 7D+2 -0.11008 -0.19112 -0.15912 -0.04002 -0.02825 83 7D-2 -0.02547 0.08498 0.00674 -0.00968 0.03121 84 8D 0 -0.08305 0.18443 -0.15175 -0.17131 0.06207 85 8D+1 0.05125 -0.22813 0.43142 0.17984 0.13937 86 8D-1 0.23277 -0.31121 0.42100 0.18759 0.06616 87 8D+2 0.30835 0.57586 0.49635 0.10260 0.08339 88 8D-2 0.06769 -0.25390 -0.02057 0.03251 -0.09520 89 5 Cu 1S -0.00260 -0.01235 -0.00167 -0.00040 -0.08160 90 2S -0.06629 -0.04352 -0.00465 -0.06326 -0.16714 91 3S -0.84708 -0.11803 -0.00995 -0.86956 -0.46953 92 4PX -0.01621 0.00523 -0.00928 -0.01182 -0.00682 93 4PY -0.00780 0.00644 -0.01053 -0.01104 -0.00082 94 4PZ -0.00290 -0.00909 0.00564 -0.01154 -0.00118 95 5PX 0.70602 -0.27194 0.96580 0.08848 0.25578 96 5PY -0.28342 0.13088 1.15059 0.59610 0.05370 97 5PZ 0.01748 0.46913 -0.61505 0.73962 0.12159 98 6PX -0.45764 0.27587 -1.65524 -0.02277 -0.36326 99 6PY 0.14759 0.00209 -1.98122 -0.45516 0.01877 100 6PZ 0.39940 -0.38186 1.06936 -0.23931 -0.05936 101 7D 0 -0.09478 0.11782 -0.11799 0.14420 0.00543 102 7D+1 0.06826 0.03265 0.04101 0.05687 0.03288 103 7D-1 0.03360 0.03497 0.14313 0.14841 0.03964 104 7D+2 0.07587 -0.07408 0.13239 0.01951 0.02145 105 7D-2 -0.11206 0.01501 0.09372 0.05002 -0.02541 106 8D 0 0.27662 -0.35889 0.36913 -0.43918 -0.01218 107 8D+1 -0.20477 -0.09031 -0.12803 -0.17695 -0.10072 108 8D-1 -0.10719 -0.11087 -0.44923 -0.45378 -0.13125 109 8D+2 -0.22677 0.20882 -0.41499 -0.04977 -0.06726 110 8D-2 0.38335 -0.04469 -0.29316 -0.13218 0.08822 111 6 Cu 1S -0.01963 0.00074 -0.00005 0.00062 0.33581 112 2S -0.05479 0.00143 -0.00010 -0.00542 0.77499 113 3S 0.11393 -0.00823 -0.00412 0.97497 -1.01559 114 4PX 0.00147 -0.06465 -0.00199 -0.02065 0.00467 115 4PY -0.00104 -0.04002 -0.00141 0.03562 -0.00630 116 4PZ 0.00572 -0.00151 0.00019 -0.06252 -0.02043 117 5PX 0.08436 1.92836 0.05362 0.74433 0.15610 118 5PY -0.20098 1.18047 0.03993 -1.27378 -0.29274 119 5PZ 0.10264 0.03901 -0.00678 1.89572 0.36191 120 6PX 0.17627 -0.80161 -0.02082 -0.29184 0.28082 121 6PY -0.30913 -0.49534 -0.01622 0.49384 -0.47206 122 6PZ 0.52365 -0.01283 0.00259 -0.53154 0.28303 123 7D 0 -0.04490 -0.00670 0.00131 -0.30728 0.04389 124 7D+1 0.00093 -0.17847 -0.00434 0.02410 -0.00965 125 7D-1 0.00626 -0.11432 -0.00287 -0.02765 0.01479 126 7D+2 -0.02231 0.23879 0.00806 -0.09832 0.01358 127 7D-2 -0.03552 -0.11735 -0.00332 -0.19394 0.02664 128 8D 0 0.12853 0.01947 -0.00384 0.89394 -0.15885 129 8D+1 -0.00861 0.51749 0.01278 -0.09090 0.02139 130 8D-1 -0.00857 0.33162 0.00826 0.11326 -0.03220 131 8D+2 0.06097 -0.69878 -0.02328 0.27690 -0.05906 132 8D-2 0.09522 0.34294 0.00964 0.54481 -0.11659 133 7 Cu 1S -0.02243 0.00125 -0.00014 0.03197 0.18628 134 2S -0.05761 0.00340 -0.00029 0.06455 0.47461 135 3S 0.00273 0.00516 0.00038 -0.11998 0.85183 136 4PX -0.01367 0.02678 0.00056 0.00454 -0.01409 137 4PY 0.02538 0.01693 0.00047 -0.00795 0.02214 138 4PZ -0.04476 0.00046 -0.00015 0.01633 0.01994 139 5PX 0.56045 -0.81825 -0.02228 -0.10959 0.38430 140 5PY -1.03262 -0.51593 -0.01660 0.19036 -0.60468 141 5PZ 1.69351 -0.01200 0.00311 -0.32449 -0.55172 142 6PX -0.40157 0.80342 0.02378 0.13312 -0.02084 143 6PY 0.73043 0.49847 0.01735 -0.23257 0.04146 144 6PZ -1.15495 0.00980 -0.00328 0.50347 -0.29164 145 7D 0 0.33602 -0.00130 0.00023 -0.04468 -0.00788 146 7D+1 -0.07121 -0.08247 -0.00403 0.02462 0.00815 147 7D-1 0.09608 -0.05260 -0.00176 -0.03847 -0.01204 148 7D+2 0.09989 0.11631 0.00230 -0.00215 0.00103 149 7D-2 0.17866 -0.05537 -0.00031 -0.00125 0.00272 150 8D 0 -0.96202 0.00404 -0.00060 0.13545 0.02767 151 8D+1 0.20554 0.24181 0.01227 -0.06844 -0.02391 152 8D-1 -0.27818 0.15427 0.00546 0.10704 0.03512 153 8D+2 -0.28688 -0.34606 -0.00682 0.01203 -0.00074 154 8D-2 -0.51365 0.16503 0.00088 0.01523 -0.00383 155 8 C 1S -0.00302 -0.00008 0.00005 -0.01123 -0.02485 156 2S 0.08893 0.00078 -0.00141 0.37553 -0.00580 157 3S -0.13465 -0.00318 0.00302 -0.70343 -2.20297 158 4PX -0.01728 0.08923 0.00306 -0.06616 -0.19850 159 4PY 0.02320 0.05669 0.00123 0.10374 0.32323 160 4PZ 0.03996 0.00265 -0.00049 0.15429 0.06418 161 5PX 0.02098 -0.38323 -0.01138 -0.05747 -0.39347 162 5PY -0.01957 -0.23722 -0.00765 0.10545 0.67103 163 5PZ -0.04778 -0.01125 0.00112 -0.41704 -0.37511 164 9 O 1S -0.00196 0.00005 -0.00001 -0.00078 0.07267 165 2S 0.03022 -0.00121 0.00034 -0.00792 -1.71158 166 3S -0.02301 0.00186 -0.00121 0.17225 3.26888 167 4PX 0.00104 -0.03091 -0.00106 -0.00862 0.00223 168 4PY 0.00022 -0.01837 -0.00069 0.01410 -0.00067 169 4PZ -0.00421 -0.00132 -0.00008 -0.01872 -0.05372 170 5PX -0.00414 0.10517 0.00361 0.00346 -0.51989 171 5PY 0.00189 0.06587 0.00199 -0.00525 0.83841 172 5PZ 0.00378 0.00453 0.00016 0.05780 0.34319 166 167 168 169 170 V V V V V EIGENVALUES -- 1.79807 1.80481 1.82086 2.17677 2.24174 1 1 Cu 1S -0.48071 0.15214 -0.84777 0.74087 0.72238 2 2S -1.00351 0.33312 -1.79479 1.39790 1.36228 3 3S 0.13432 -0.03604 0.62406 -2.40780 -2.22754 4 4PX -0.00262 0.00291 0.01393 -0.00930 0.02359 5 4PY 0.01773 -0.00549 0.02601 0.01648 0.02046 6 4PZ -0.00662 0.01163 -0.01911 -0.02824 -0.00346 7 5PX -0.18595 -0.19172 -0.56866 0.36623 -0.20204 8 5PY -0.70353 0.20628 -1.05738 0.00655 -0.11160 9 5PZ 0.69924 -0.34534 0.77027 0.18100 -0.24388 10 6PX -0.14518 0.00918 0.14417 -0.86950 0.96443 11 6PY 0.20680 -0.10463 0.40740 -0.11339 -0.02938 12 6PZ -0.12806 0.13027 -0.33466 -0.83957 0.25050 13 7D 0 -0.00249 -0.04761 -0.01857 0.03934 -0.03383 14 7D+1 -0.01229 -0.04475 0.04553 0.02318 -0.01455 15 7D-1 -0.08505 0.04655 -0.08561 -0.03367 0.00346 16 7D+2 -0.07845 0.00023 0.02757 -0.02051 0.00962 17 7D-2 0.01775 0.03420 0.08172 -0.04385 0.04978 18 8D 0 -0.00429 0.14762 0.06100 -0.13580 0.11544 19 8D+1 0.05268 0.15118 -0.16411 -0.06943 0.06251 20 8D-1 0.28751 -0.14825 0.28649 0.10396 -0.02170 21 8D+2 0.24989 0.00109 -0.09735 0.07742 -0.02471 22 8D-2 -0.06394 -0.10789 -0.27092 0.16002 -0.16449 23 2 Cu 1S -0.09669 -0.75264 0.56473 0.96889 -0.50896 24 2S -0.19743 -1.59230 1.18566 1.82647 -0.95762 25 3S -0.47494 0.49185 -0.57529 -2.96445 1.42592 26 4PX 0.00203 0.02833 -0.01732 0.02885 -0.01811 27 4PY 0.01100 0.01591 -0.00011 0.00185 -0.01835 28 4PZ 0.00714 0.00623 -0.01327 0.02132 0.01470 29 5PX -0.52916 -1.22008 0.74863 0.09981 -0.12083 30 5PY -0.11070 -0.51053 0.00309 0.06235 0.30515 31 5PZ 0.00507 -0.25888 0.54806 -0.18503 -0.31855 32 6PX 0.09751 0.45570 -0.29560 0.27232 -0.13178 33 6PY 0.18988 0.27360 0.01862 -0.47134 -0.78612 34 6PZ -0.06322 0.05119 -0.22572 0.30796 1.00603 35 7D 0 -0.02475 -0.03396 -0.02844 0.01802 0.02998 36 7D+1 0.03201 0.02396 -0.08517 0.03410 0.04777 37 7D-1 0.06400 -0.05556 0.05467 -0.00443 -0.00202 38 7D+2 0.03208 0.03224 -0.03062 0.00647 0.02166 39 7D-2 0.03726 0.10472 0.00308 -0.01281 -0.05125 40 8D 0 0.09766 0.10844 0.09416 -0.06018 -0.09944 41 8D+1 -0.09472 -0.08264 0.27782 -0.10620 -0.16889 42 8D-1 -0.21212 0.19424 -0.19030 -0.00682 0.01410 43 8D+2 -0.12651 -0.10741 0.09867 -0.01820 -0.08246 44 8D-2 -0.11408 -0.34076 -0.00396 0.05603 0.17331 45 3 Cu 1S -0.37817 0.88304 0.00074 -0.09997 -1.06913 46 2S -0.79382 1.85536 0.00132 -0.18810 -2.01002 47 3S -0.34786 -1.14484 0.00651 0.29844 2.77697 48 4PX -0.00065 -0.00704 -0.00983 -0.02630 -0.00504 49 4PY -0.00522 0.01818 -0.00531 -0.01185 0.02141 50 4PZ 0.02306 -0.02290 -0.00124 -0.00614 -0.02784 51 5PX -0.28802 0.24042 0.33558 0.42542 -0.18584 52 5PY 0.74263 -0.65947 0.17171 0.23810 0.26233 53 5PZ -0.67105 1.01690 0.04011 0.05661 -0.04242 54 6PX 0.05124 -0.12449 -0.12608 -1.24657 -0.07228 55 6PY -0.21799 0.30209 -0.06242 -0.61551 0.39068 56 6PZ 0.31908 -0.40018 -0.01168 -0.15576 0.06878 57 7D 0 0.06092 0.01009 -0.01358 -0.01510 -0.01325 58 7D+1 0.01756 -0.05879 -0.06574 -0.07021 0.00496 59 7D-1 -0.06816 0.08765 -0.02808 -0.02911 0.00553 60 7D+2 -0.01939 -0.03324 -0.03951 -0.04014 -0.00951 61 7D-2 -0.01171 -0.06713 0.03713 0.03601 -0.02276 62 8D 0 -0.18470 -0.03773 0.04306 0.05200 0.05058 63 8D+1 -0.06305 0.19721 0.21001 0.23884 -0.03019 64 8D-1 0.23338 -0.28872 0.08955 0.10119 0.00172 65 8D+2 0.07673 0.12011 0.12537 0.13668 0.02918 66 8D-2 0.05511 0.23675 -0.11842 -0.12528 0.06855 67 4 Cu 1S -0.13679 -0.76328 -0.54754 -1.04085 -0.31682 68 2S -0.28065 -1.61549 -1.15001 -1.96246 -0.59501 69 3S -0.37685 0.49616 0.57108 3.23030 0.92694 70 4PX -0.01158 -0.02997 -0.01149 0.02552 0.01789 71 4PY 0.00380 -0.01499 -0.01511 0.02423 -0.00116 72 4PZ 0.00542 -0.00053 0.00965 -0.01107 0.02198 73 5PX 0.42003 1.15564 0.49080 0.02650 -0.14003 74 5PY 0.36852 0.73364 0.63955 0.06146 0.25968 75 5PZ 0.09266 0.01340 -0.39496 0.12568 -0.35563 76 6PX -0.19921 -0.49537 -0.18295 -0.05516 0.55498 77 6PY 0.05421 -0.20810 -0.26302 0.42262 -0.53517 78 6PZ -0.09407 -0.06385 0.16700 -0.06254 1.10150 79 7D 0 -0.04220 -0.02608 0.01099 -0.00216 0.01352 80 7D+1 -0.05064 0.06333 -0.00850 0.01166 -0.04456 81 7D-1 0.01792 -0.04198 -0.09516 0.02034 -0.04356 82 7D+2 0.03938 0.07422 -0.02286 0.00344 -0.05260 83 7D-2 0.04890 0.07293 0.04384 -0.00904 0.01386 84 8D 0 0.15037 0.08195 -0.03930 0.00505 -0.04303 85 8D+1 0.15846 -0.21358 0.01780 -0.05470 0.15075 86 8D-1 -0.07424 0.14774 0.31769 -0.04778 0.15161 87 8D+2 -0.11510 -0.23903 0.07042 -0.01761 0.18303 88 8D-2 -0.17427 -0.24087 -0.14401 0.01975 -0.05463 89 5 Cu 1S -0.48583 0.16098 0.85558 -0.56192 0.84837 90 2S -1.01341 0.35139 1.81052 -1.06020 1.59853 91 3S 0.17133 -0.04825 -0.62330 1.83884 -2.66345 92 4PX -0.01177 0.00107 0.02566 -0.00299 -0.02908 93 4PY 0.01202 -0.00676 -0.00535 -0.02134 -0.00404 94 4PZ -0.00710 0.01149 0.02366 0.02448 -0.01522 95 5PX 0.56987 -0.00735 -1.05191 0.27542 0.20430 96 5PY -0.30211 0.30575 0.21421 0.34499 0.06327 97 5PZ 0.75585 -0.33395 -0.96449 -0.14969 -0.16542 98 6PX -0.08813 0.06711 0.36196 -0.82736 -0.38893 99 6PY 0.21945 -0.06867 -0.15229 -0.87770 -0.68943 100 6PZ -0.07755 0.14193 0.38923 0.67418 -0.04721 101 7D 0 0.01060 -0.03736 0.01571 -0.03982 -0.01993 102 7D+1 0.07598 0.00716 -0.06920 0.00951 0.02423 103 7D-1 -0.05168 0.06906 0.07687 0.05194 0.01044 104 7D+2 0.02920 0.03827 -0.04897 0.04501 0.03405 105 7D-2 -0.06606 -0.00021 -0.06315 0.03186 0.01794 106 8D 0 -0.05075 0.11294 -0.05519 0.13812 0.06602 107 8D+1 -0.25995 -0.02566 0.22511 -0.03732 -0.07905 108 8D-1 0.16563 -0.22567 -0.26535 -0.16838 -0.05064 109 8D+2 -0.09730 -0.12152 0.16003 -0.15772 -0.11508 110 8D-2 0.20959 0.00470 0.21694 -0.11844 -0.04732 111 6 Cu 1S 0.06400 0.00379 -0.00337 -0.00327 0.14893 112 2S 0.25057 0.03137 -0.00854 -0.00717 0.26739 113 3S 3.08623 0.69577 -0.01928 -0.01106 -0.33174 114 4PX 0.03531 0.00724 -0.00044 -0.03351 0.02373 115 4PY -0.05622 -0.01104 0.00071 -0.01981 -0.04056 116 4PZ -0.03991 -0.00899 0.00043 -0.00060 0.02801 117 5PX -1.23281 -0.26431 -0.00827 0.47177 -0.54177 118 5PY 1.95987 0.41759 -0.03294 0.27351 0.91069 119 5PZ 1.34012 0.26499 -0.01226 0.00496 -0.37981 120 6PX -0.14887 -0.04125 -0.03178 0.38367 -0.23349 121 6PY 0.24134 0.10002 -0.01359 0.22627 0.40874 122 6PZ 0.22084 -0.00605 -0.01186 0.01315 -0.56926 123 7D 0 -0.03589 0.02172 0.00690 -0.00110 0.02665 124 7D+1 -0.01014 0.00352 0.04052 -0.02281 -0.00933 125 7D-1 0.02315 -0.02666 0.01694 -0.01472 0.01305 126 7D+2 -0.01331 -0.03099 0.02723 0.02671 0.00059 127 7D-2 -0.03118 -0.04106 -0.02379 -0.01279 0.00058 128 8D 0 0.13337 -0.08786 -0.02740 0.00367 -0.08202 129 8D+1 0.06229 -0.00764 -0.15850 0.07645 0.04193 130 8D-1 -0.12579 0.09424 -0.06628 0.04926 -0.06051 131 8D+2 0.06325 0.12035 -0.10437 -0.08665 0.00960 132 8D-2 0.14498 0.16209 0.09128 0.04129 0.02106 133 7 Cu 1S 1.10786 0.23923 -0.01243 -0.00121 0.00665 134 2S 2.26989 0.48968 -0.02613 -0.00186 0.01821 135 3S -2.41506 -0.50531 0.01441 0.01628 -0.04220 136 4PX -0.01144 -0.00251 0.00023 -0.02184 0.00467 137 4PY 0.01806 0.00380 -0.00049 -0.01312 -0.00869 138 4PZ 0.01025 0.00208 -0.00011 -0.00062 0.02240 139 5PX 0.37549 0.07299 -0.05114 0.13299 -0.03920 140 5PY -0.59794 -0.08191 -0.00654 0.07508 0.06592 141 5PZ -0.19739 -0.10503 -0.00493 0.00291 -0.10885 142 6PX -0.34621 -0.07441 0.02272 -0.67593 0.24360 143 6PY 0.54265 0.09636 -0.00198 -0.40945 -0.43040 144 6PZ 0.31355 0.08984 0.00960 -0.02600 0.71576 145 7D 0 0.01964 0.03824 0.00942 0.00168 -0.04395 146 7D+1 -0.00974 0.00536 0.05267 0.02855 0.00946 147 7D-1 0.02094 -0.03158 0.02168 0.01868 -0.01378 148 7D+2 0.01046 -0.02896 0.03524 -0.04591 -0.01445 149 7D-2 0.01640 -0.03547 -0.03223 0.02301 -0.02690 150 8D 0 -0.07112 -0.14321 -0.03572 -0.00554 0.14427 151 8D+1 0.05513 -0.01593 -0.19834 -0.09409 -0.02630 152 8D-1 -0.10812 0.11232 -0.08139 -0.06149 0.03795 153 8D+2 -0.02780 0.11098 -0.13261 0.15272 0.05090 154 8D-2 -0.03742 0.13827 0.12062 -0.07676 0.09542 155 8 C 1S -0.00304 -0.00061 0.00010 0.00001 -0.00034 156 2S -0.07449 -0.01075 0.00092 -0.00036 -0.17333 157 3S 1.83702 0.41040 -0.00668 -0.00857 1.49703 158 4PX 0.02102 0.00530 0.00272 0.07352 0.04368 159 4PY -0.03664 -0.01118 0.00016 0.04502 -0.06800 160 4PZ 0.04780 0.01452 -0.00003 0.00187 -0.08271 161 5PX 0.01410 0.01061 0.02088 -0.45503 0.33791 162 5PY -0.02891 -0.02431 0.00670 -0.27281 -0.58423 163 5PZ 0.12107 0.04144 0.00434 -0.01150 0.53045 164 9 O 1S -0.02659 -0.00656 -0.00013 0.00010 -0.01818 165 2S 0.66981 0.16722 0.00344 -0.00370 0.65793 166 3S -1.33290 -0.33229 -0.00630 0.00845 -1.53629 167 4PX -0.01755 -0.00333 0.00724 -0.07555 0.01611 168 4PY 0.02961 0.00358 0.00315 -0.04594 -0.02951 169 4PZ -0.00780 0.00317 0.00191 -0.00185 0.05276 170 5PX 0.24279 0.05852 -0.02115 0.25685 0.15150 171 5PY -0.39801 -0.08873 -0.01156 0.15898 -0.23469 172 5PZ -0.06188 -0.03291 -0.00618 0.00663 -0.27639 171 172 V V EIGENVALUES -- 2.55829 9.39938 1 1 Cu 1S -0.68436 -0.54279 2 2S -1.20378 -0.84183 3 3S 0.92080 -1.47972 4 4PX -0.01675 -0.01430 5 4PY -0.02914 -0.02202 6 4PZ 0.02045 0.02795 7 5PX 0.19928 -0.41505 8 5PY -0.03527 -0.11451 9 5PZ -0.23562 0.60252 10 6PX 0.18903 -0.36652 11 6PY -0.15799 0.44768 12 6PZ -0.50012 0.40629 13 7D 0 0.02301 0.00353 14 7D+1 -0.02367 -0.00661 15 7D-1 0.00262 -0.01266 16 7D+2 0.00969 -0.00333 17 7D-2 -0.00850 0.00943 18 8D 0 -0.07236 -0.03468 19 8D+1 0.07639 0.05461 20 8D-1 -0.00728 0.09780 21 8D+2 -0.02608 0.01539 22 8D-2 0.03029 -0.06858 23 2 Cu 1S -0.46347 -0.70957 24 2S -0.81311 -1.10328 25 3S 0.06042 -1.37731 26 4PX -0.02278 -0.04982 27 4PY -0.00822 -0.00121 28 4PZ -0.01658 -0.00290 29 5PX 0.20863 -0.87808 30 5PY -0.12248 0.14854 31 5PZ -0.05766 0.07852 32 6PX 0.39379 -0.19800 33 6PY 0.05006 0.14042 34 6PZ -0.13232 -0.01983 35 7D 0 -0.02040 -0.00270 36 7D+1 -0.02335 0.00482 37 7D-1 0.00743 -0.00021 38 7D+2 0.01890 0.01167 39 7D-2 -0.01951 0.00649 40 8D 0 0.06717 0.04253 41 8D+1 0.07515 -0.03287 42 8D-1 -0.03243 0.00471 43 8D+2 -0.05756 -0.10799 44 8D-2 0.06109 -0.03757 45 3 Cu 1S -0.35383 -0.80128 46 2S -0.62380 -1.24304 47 3S -0.56628 -0.94253 48 4PX -0.00139 -0.02101 49 4PY 0.00622 0.04680 50 4PZ -0.02140 -0.02916 51 5PX 0.09626 -0.38224 52 5PY -0.16345 0.78365 53 5PZ -0.08571 -0.20282 54 6PX 0.05806 0.05080 55 6PY -0.20797 -0.06801 56 6PZ 0.24830 -0.22591 57 7D 0 -0.02061 0.00287 58 7D+1 -0.00089 0.00263 59 7D-1 -0.00040 -0.00675 60 7D+2 -0.02034 -0.00340 61 7D-2 -0.02916 -0.00272 62 8D 0 0.05790 -0.00715 63 8D+1 0.00675 -0.03430 64 8D-1 -0.00179 0.08067 65 8D+2 0.06631 0.04318 66 8D-2 0.09603 0.04176 67 4 Cu 1S -0.50482 -0.67552 68 2S -0.88473 -1.05124 69 3S 0.26921 -1.48342 70 4PX 0.02358 0.02782 71 4PY 0.01793 0.03732 72 4PZ -0.01146 0.00599 73 5PX -0.01954 0.34764 74 5PY -0.25813 0.78800 75 5PZ -0.08068 0.20840 76 6PX -0.20884 -0.05637 77 6PY -0.30790 0.31953 78 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-3.68168 118 5PY -1.12773 5.87300 119 5PZ -0.82360 3.86533 120 6PX -0.65267 0.31067 121 6PY 1.07789 -0.55519 122 6PZ -0.07908 1.28668 123 7D 0 -0.00434 -0.02050 124 7D+1 -0.01968 -0.03718 125 7D-1 0.03195 0.05969 126 7D+2 -0.01422 -0.03043 127 7D-2 -0.02844 -0.06274 128 8D 0 -0.00217 0.14526 129 8D+1 0.04702 0.26720 130 8D-1 -0.07722 -0.42838 131 8D+2 0.02902 0.22088 132 8D-2 0.05664 0.45427 133 7 Cu 1S -1.10151 -0.73965 134 2S -1.89093 -1.24274 135 3S 4.46686 -0.16560 136 4PX -0.03565 -0.02334 137 4PY 0.05642 0.03693 138 4PZ 0.04410 0.03471 139 5PX 0.52715 -0.47554 140 5PY -0.83685 0.75710 141 5PZ -0.74537 0.64595 142 6PX 0.53620 0.16432 143 6PY -0.87122 -0.23178 144 6PZ -0.41138 -0.98162 145 7D 0 0.00440 0.00067 146 7D+1 0.00602 -0.01553 147 7D-1 -0.00954 0.02459 148 7D+2 0.00594 -0.00940 149 7D-2 0.01189 -0.01942 150 8D 0 -0.01289 -0.01001 151 8D+1 -0.02680 0.11497 152 8D-1 0.04236 -0.18202 153 8D+2 -0.02394 0.06625 154 8D-2 -0.04790 0.13764 155 8 C 1S 0.00654 -0.05252 156 2S 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90 2S 0.00208 -0.00034 0.00005 0.00403 0.00121 91 3S -0.02407 0.01551 0.00958 -0.03964 -0.01203 92 4PX 0.39974 -0.07842 -0.25372 0.28094 0.52728 93 4PY 0.06248 0.17453 -0.14683 -0.32882 0.44426 94 4PZ 0.27176 -0.26130 -0.01222 0.61732 -0.11447 95 5PX 0.01251 -0.00420 -0.00736 0.00940 0.01325 96 5PY -0.00183 0.00415 -0.00378 -0.00853 0.01062 97 5PZ 0.01082 -0.00808 -0.00133 0.01682 -0.00245 98 6PX -0.00498 0.00276 -0.00246 0.01021 -0.01302 99 6PY -0.00295 0.00222 -0.00329 0.00602 -0.01842 100 6PZ 0.00142 0.00003 0.00276 0.00058 0.01158 101 7D 0 0.00023 -0.00044 0.00016 0.00092 -0.00031 102 7D+1 0.00116 -0.00057 -0.00047 0.00145 0.00063 103 7D-1 -0.00001 0.00042 -0.00025 -0.00044 0.00058 104 7D+2 0.00068 -0.00006 -0.00044 0.00037 0.00066 105 7D-2 0.00012 0.00030 -0.00012 -0.00075 0.00020 106 8D 0 -0.00004 0.00023 0.00006 0.00005 -0.00170 107 8D+1 -0.00034 0.00033 0.00026 -0.00007 0.00060 108 8D-1 0.00049 -0.00035 0.00001 -0.00168 0.00139 109 8D+2 -0.00033 0.00004 0.00010 -0.00033 0.00185 110 8D-2 -0.00121 -0.00001 -0.00009 0.00063 0.00172 111 6 Cu 1S 0.00096 0.00000 0.00028 0.00036 0.00001 112 2S -0.00018 0.00002 0.00014 0.00019 0.00001 113 3S 0.01951 -0.00007 0.00371 0.00457 0.00011 114 4PX -0.00118 0.00082 -0.00213 0.00230 0.00173 115 4PY 0.00046 0.00054 -0.00214 0.00020 0.00102 116 4PZ 0.00811 -0.00011 0.00295 0.00396 0.00013 117 5PX 0.00119 0.00009 -0.00065 0.00074 0.00007 118 5PY -0.00271 0.00015 -0.00075 0.00002 0.00004 119 5PZ 0.00363 -0.00011 0.00095 0.00131 0.00004 120 6PX -0.00019 0.00651 -0.00025 0.00279 0.00377 121 6PY 0.00167 0.00284 -0.00429 -0.00265 0.00234 122 6PZ 0.00163 0.00135 0.00484 0.00521 0.00007 123 7D 0 0.00020 -0.00001 0.00016 0.00024 0.00001 124 7D+1 -0.00003 -0.00003 -0.00019 0.00012 0.00011 125 7D-1 -0.00005 0.00002 -0.00008 0.00009 0.00007 126 7D+2 -0.00002 -0.00014 0.00006 0.00002 -0.00008 127 7D-2 0.00001 0.00012 0.00006 0.00005 0.00004 128 8D 0 -0.00085 0.00002 -0.00102 -0.00145 -0.00006 129 8D+1 0.00012 0.00010 0.00110 -0.00070 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0.00004 -0.00016 -0.00006 150 8D 0 0.00020 0.00029 0.00069 0.00062 0.00000 151 8D+1 -0.00042 0.00106 0.00006 -0.00075 0.00004 152 8D-1 0.00113 0.00048 0.00053 0.00044 0.00009 153 8D+2 0.00044 -0.00016 0.00142 -0.00047 -0.00075 154 8D-2 0.00036 -0.00016 -0.00011 0.00134 0.00044 155 8 C 1S 0.00004 0.00000 0.00000 0.00000 0.00000 156 2S 0.00025 -0.00001 -0.00011 -0.00015 0.00000 157 3S -0.00349 -0.00009 -0.00054 -0.00049 0.00001 158 4PX 0.00011 -0.00003 0.00014 -0.00008 -0.00011 159 4PY -0.00011 -0.00001 0.00006 -0.00008 -0.00007 160 4PZ -0.00035 0.00000 -0.00018 -0.00024 -0.00001 161 5PX -0.00092 -0.00017 -0.00053 0.00022 0.00037 162 5PY 0.00131 -0.00004 -0.00002 0.00039 0.00021 163 5PZ 0.00093 -0.00008 0.00030 0.00052 0.00004 164 9 O 1S -0.00002 0.00000 0.00000 0.00000 0.00000 165 2S -0.00036 -0.00001 -0.00007 -0.00007 0.00000 166 3S 0.00169 0.00006 0.00028 0.00025 -0.00001 167 4PX -0.00001 0.00005 0.00002 0.00002 0.00002 168 4PY 0.00002 0.00002 -0.00003 -0.00004 0.00001 169 4PZ 0.00011 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7D+2 0.00005 0.00008 0.00007 0.00149 -0.00065 17 7D-2 0.00000 -0.00003 -0.00002 0.00011 -0.00005 18 8D 0 -0.00017 0.00053 -0.00018 0.00010 -0.00013 19 8D+1 0.00015 0.00018 0.00017 -0.00013 -0.00016 20 8D-1 -0.00035 -0.00005 -0.00009 0.00004 -0.00018 21 8D+2 -0.00022 0.00010 -0.00025 0.00039 0.00029 22 8D-2 0.00005 0.00015 0.00025 -0.00011 -0.00009 23 2 Cu 1S 0.00032 0.00028 0.00027 0.00030 -0.00002 24 2S 0.00042 -0.00002 0.00051 0.00044 0.00000 25 3S 0.00099 0.00377 0.00046 0.00045 -0.00184 26 4PX -0.04771 -0.34400 0.01065 0.02610 -0.00766 27 4PY 0.08158 0.68040 -0.02206 -0.04085 0.00970 28 4PZ 0.10719 0.61378 -0.02214 -0.03779 0.00849 29 5PX 0.00022 -0.00637 0.00038 0.00110 -0.00135 30 5PY 0.00107 0.01409 0.00035 -0.00137 0.00121 31 5PZ 0.00218 0.01295 0.00035 -0.00104 0.00102 32 6PX -0.00064 0.00521 0.00064 -0.00141 0.00096 33 6PY 0.00074 -0.00746 -0.00161 0.00229 -0.00157 34 6PZ 0.00108 -0.00712 -0.00065 0.00165 -0.00151 35 7D 0 -0.00012 -0.00078 0.00003 0.00005 -0.00006 36 7D+1 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116 4PZ -0.00226 0.00072 0.00176 0.00758 0.00363 117 5PX 0.00343 0.00188 0.00264 0.00157 -0.00085 118 5PY -0.00528 -0.00423 -0.00353 -0.00130 -0.00093 119 5PZ -0.00323 -0.00133 -0.00111 -0.00183 -0.00093 120 6PX -0.00251 -0.00177 -0.00122 -0.00112 -0.00196 121 6PY 0.00407 0.00202 0.00219 0.00307 0.00046 122 6PZ 0.00386 0.00345 0.00355 0.00284 0.00081 123 7D 0 -0.00018 -0.00010 -0.00006 0.00029 0.00018 124 7D+1 0.00009 -0.00007 0.00010 -0.00015 0.00021 125 7D-1 -0.00015 -0.00004 0.00011 -0.00004 0.00014 126 7D+2 -0.00010 0.00028 -0.00019 0.00011 -0.00004 127 7D-2 -0.00014 -0.00006 0.00022 0.00010 0.00006 128 8D 0 0.00108 0.00049 0.00025 -0.00163 -0.00094 129 8D+1 -0.00044 0.00053 -0.00060 0.00094 -0.00095 130 8D-1 0.00069 0.00025 -0.00068 -0.00007 -0.00082 131 8D+2 0.00057 -0.00147 0.00115 -0.00063 0.00035 132 8D-2 0.00079 0.00046 -0.00104 -0.00043 -0.00037 133 7 Cu 1S -0.00059 -0.00043 -0.00043 -0.00049 -0.00019 134 2S 0.00111 0.00091 0.00095 0.00135 0.00057 135 3S -0.01348 -0.00861 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1S 0.00008 0.00006 0.00006 0.00003 0.00001 156 2S 0.00129 0.00078 0.00069 -0.00008 -0.00013 157 3S -0.00676 -0.00484 -0.00465 -0.00237 -0.00057 158 4PX 0.00002 0.00026 -0.00017 0.00028 -0.00021 159 4PY -0.00006 0.00003 -0.00026 -0.00009 -0.00023 160 4PZ 0.00012 -0.00004 -0.00011 -0.00062 -0.00031 161 5PX 0.00058 -0.00011 0.00022 -0.00095 0.00134 162 5PY -0.00105 0.00002 0.00045 -0.00020 0.00084 163 5PZ -0.00040 -0.00045 -0.00028 0.00253 0.00144 164 9 O 1S -0.00001 -0.00001 -0.00001 0.00000 0.00000 165 2S -0.00035 -0.00034 -0.00033 0.00000 0.00005 166 3S 0.00140 0.00146 0.00147 0.00035 -0.00007 167 4PX -0.00003 -0.00011 0.00009 -0.00007 0.00017 168 4PY 0.00005 0.00000 0.00011 -0.00010 0.00006 169 4PZ 0.00007 0.00007 0.00009 0.00035 0.00017 170 5PX -0.00014 0.00013 -0.00051 0.00029 -0.00081 171 5PY 0.00027 0.00033 -0.00005 0.00055 -0.00033 172 5PZ -0.00026 -0.00014 -0.00024 -0.00164 -0.00084 31 32 33 34 35 O O O O O EIGENVALUES -- -1.17814 -0.57903 -0.47889 -0.47530 -0.45699 1 1 Cu 1S 0.00165 0.00007 -0.00127 0.00025 -0.00080 2 2S 0.00201 0.00516 0.01207 -0.00148 0.02077 3 3S 0.01551 0.03496 -0.00467 -0.01368 0.01146 4 4PX 0.00014 -0.00088 -0.00200 0.00026 -0.00258 5 4PY 0.00005 -0.00022 -0.00101 -0.00034 -0.00322 6 4PZ -0.00016 0.00130 0.00270 -0.00043 0.00434 7 5PX 0.00117 0.00411 0.00130 -0.00293 0.00869 8 5PY 0.00280 0.00166 -0.00054 -0.00390 0.00129 9 5PZ -0.00462 -0.00876 -0.00250 0.00353 -0.00716 10 6PX 0.00207 0.02409 -0.01269 0.00006 -0.01074 11 6PY 0.00696 -0.01959 0.01746 -0.01601 0.00977 12 6PZ -0.00140 -0.02060 0.00983 -0.00839 0.00865 13 7D 0 -0.00004 0.00120 0.00199 -0.00003 0.00440 14 7D+1 -0.00005 -0.00227 -0.00493 0.00037 -0.00752 15 7D-1 0.00005 -0.00064 -0.00220 -0.00217 -0.00953 16 7D+2 0.00000 0.00044 0.00049 0.00011 -0.00153 17 7D-2 -0.00002 0.00028 0.00048 0.00084 0.00578 18 8D 0 0.00041 0.00047 0.00041 0.00015 0.00089 19 8D+1 0.00006 -0.00060 -0.00109 0.00021 -0.00254 20 8D-1 -0.00061 -0.00039 -0.00100 -0.00054 -0.00412 21 8D+2 -0.00007 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-0.00167 -0.00446 0.00052 -0.00628 62 8D 0 -0.00098 -0.00036 0.00078 -0.00005 0.00180 63 8D+1 -0.00015 -0.00018 0.00143 -0.00037 0.00198 64 8D-1 0.00029 0.00011 -0.00325 0.00002 -0.00466 65 8D+2 -0.00083 -0.00069 -0.00083 -0.00032 -0.00097 66 8D-2 -0.00125 -0.00096 -0.00045 0.00029 -0.00051 67 4 Cu 1S 0.00245 0.00091 -0.00112 -0.00015 -0.00158 68 2S 0.00317 0.00547 0.01057 0.00018 0.02150 69 3S 0.01735 0.03287 -0.00039 -0.02724 0.03236 70 4PX -0.00008 0.00074 0.00206 -0.00051 0.00401 71 4PY -0.00033 0.00118 0.00277 -0.00005 0.00525 72 4PZ -0.00001 0.00023 0.00016 0.00011 0.00020 73 5PX -0.00222 -0.00556 0.00178 0.00221 -0.00568 74 5PY -0.00646 -0.00933 -0.00236 0.00502 -0.01578 75 5PZ -0.00332 -0.00507 -0.00013 -0.00111 0.00008 76 6PX -0.00078 0.00308 -0.00065 -0.01788 -0.00777 77 6PY -0.00304 -0.01359 0.00353 0.02340 0.00298 78 6PZ 0.00127 0.00719 -0.00810 0.02046 -0.00094 79 7D 0 -0.00001 -0.00148 -0.00437 0.00064 -0.00765 80 7D+1 -0.00002 0.00028 0.00118 -0.00060 0.00043 81 7D-1 -0.00010 0.00072 0.00098 0.00035 0.00091 82 7D+2 0.00005 -0.00124 -0.00155 -0.00017 -0.00238 83 7D-2 0.00003 0.00196 0.00651 -0.00257 0.01305 84 8D 0 -0.00021 -0.00047 -0.00114 0.00027 -0.00265 85 8D+1 0.00018 0.00014 0.00016 -0.00007 -0.00014 86 8D-1 0.00091 0.00089 -0.00010 0.00034 -0.00126 87 8D+2 -0.00048 -0.00014 0.00048 0.00008 0.00011 88 8D-2 0.00020 0.00053 0.00213 -0.00097 0.00495 89 5 Cu 1S 0.00154 -0.00003 -0.00130 -0.00020 -0.00070 90 2S 0.00190 0.00513 0.01250 0.00130 0.02046 91 3S 0.01742 0.03397 0.00057 0.01399 0.00495 92 4PX -0.00007 0.00039 0.00136 -0.00022 0.00323 93 4PY -0.00005 0.00052 0.00089 0.00024 -0.00020 94 4PZ -0.00015 0.00148 0.00323 0.00043 0.00487 95 5PX -0.00275 -0.00182 -0.00090 -0.00410 -0.00311 96 5PY 0.00110 -0.00203 -0.00106 -0.00035 -0.00494 97 5PZ -0.00513 -0.00896 -0.00410 -0.00393 -0.00738 98 6PX -0.00717 0.00904 -0.01135 -0.01207 -0.00392 99 6PY 0.00327 -0.02897 0.01946 0.00477 0.01327 100 6PZ -0.00293 -0.02490 0.01056 0.00494 0.01169 101 7D 0 -0.00002 0.00197 0.00378 0.00005 0.00787 102 7D+1 -0.00002 0.00124 0.00324 -0.00152 0.01095 103 7D-1 0.00008 0.00137 0.00281 0.00117 -0.00071 104 7D+2 -0.00002 -0.00008 -0.00031 0.00002 0.00381 105 7D-2 -0.00003 0.00008 -0.00042 -0.00050 -0.00036 106 8D 0 0.00039 0.00061 0.00092 -0.00012 0.00237 107 8D+1 0.00047 0.00045 0.00113 -0.00022 0.00471 108 8D-1 -0.00056 0.00017 0.00035 0.00052 -0.00073 109 8D+2 0.00018 0.00003 -0.00003 0.00014 0.00193 110 8D-2 0.00015 -0.00040 -0.00028 0.00027 -0.00020 111 6 Cu 1S 0.00119 -0.01116 -0.01020 0.00000 -0.00525 112 2S 0.01171 0.07787 0.09717 0.00004 0.15879 113 3S -0.12155 -0.19930 -0.05850 0.00001 -0.10587 114 4PX -0.00100 -0.01680 -0.01829 -0.00787 -0.02002 115 4PY 0.00166 0.02697 0.02967 -0.00476 0.03171 116 4PZ -0.00009 0.01409 0.00899 -0.00024 0.02490 117 5PX 0.01928 0.02504 0.01614 0.00832 0.03091 118 5PY -0.03150 -0.04094 -0.02618 0.00504 -0.04862 119 5PZ -0.00688 -0.01160 -0.00787 0.00026 -0.04287 120 6PX 0.01768 -0.02988 0.03858 0.08119 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0.20808 0.37983 160 4PZ -0.02919 0.03510 0.39216 0.01084 -0.11547 161 5PX -0.02603 -0.03781 -0.00121 0.05247 -0.00891 162 5PY 0.04279 0.06160 -0.00103 0.03185 0.01607 163 5PZ 0.00213 0.01604 0.05726 0.00164 -0.02734 164 9 O 1S -0.21143 0.12630 -0.02020 -0.00001 -0.02043 165 2S 0.46545 -0.28542 0.03822 0.00001 0.03016 166 3S 0.31212 -0.37902 0.09639 0.00006 0.12583 167 4PX -0.11871 -0.22787 0.13582 0.53443 0.15983 168 4PY 0.19416 0.37148 -0.24983 0.32409 -0.24438 169 4PZ 0.02945 0.08008 0.49578 0.01684 -0.37172 170 5PX 0.00873 -0.05721 0.03154 0.20536 0.02709 171 5PY -0.01434 0.09319 -0.06200 0.12457 -0.03734 172 5PZ -0.00093 0.02108 0.19140 0.00647 -0.14249 36 37 38 39 40 O O O O O EIGENVALUES -- -0.35569 -0.33746 -0.33675 -0.32580 -0.32570 1 1 Cu 1S -0.01278 -0.00136 -0.00018 -0.00263 0.00113 2 2S 0.17246 0.06998 0.06051 -0.04899 0.03587 3 3S -0.00096 0.10198 0.11539 -0.18107 0.10870 4 4PX -0.01350 0.00074 -0.01109 -0.00028 -0.01277 5 4PY -0.02696 -0.00969 -0.00894 0.00152 -0.00291 6 4PZ 0.02166 0.01451 0.00559 -0.01173 -0.00073 7 5PX 0.00961 0.03169 0.01557 -0.02648 0.02829 8 5PY 0.02564 0.04651 0.04753 -0.02148 0.01813 9 5PZ -0.02002 -0.03222 -0.04804 0.04828 -0.02295 10 6PX -0.00813 0.02167 -0.03512 -0.01722 -0.01554 11 6PY -0.02941 -0.01077 -0.01497 -0.01744 0.00259 12 6PZ 0.01124 0.03803 -0.00218 0.00359 -0.01723 13 7D 0 -0.00113 0.09052 -0.02431 -0.13002 -0.11705 14 7D+1 -0.03633 -0.00275 -0.07064 0.03142 -0.11103 15 7D-1 -0.12958 -0.10958 -0.04282 0.02676 0.01607 16 7D+2 -0.03949 -0.03443 0.02593 0.01926 0.08675 17 7D-2 0.08519 -0.00831 0.09647 0.03635 0.06911 18 8D 0 -0.00052 0.03025 -0.00799 -0.04602 -0.04317 19 8D+1 -0.01207 -0.00128 -0.02392 0.01071 -0.03999 20 8D-1 -0.04617 -0.04080 -0.01929 0.00899 0.00428 21 8D+2 -0.01383 -0.01278 0.00708 0.00785 0.03124 22 8D-2 0.03023 0.00025 0.03504 0.01196 0.02355 23 2 Cu 1S -0.01253 -0.00125 0.00205 0.00169 -0.00271 24 2S 0.16399 0.10355 -0.06357 0.00770 -0.04412 25 3S -0.02956 0.15288 -0.06167 0.06552 -0.17070 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0.00328 46 2S 0.15836 -0.01346 -0.13507 0.00306 0.03393 47 3S -0.04649 -0.01986 -0.16657 0.02068 0.16638 48 4PX -0.00658 0.01142 0.00622 0.00870 -0.00475 49 4PY 0.01830 0.00369 -0.01934 0.00560 0.00624 50 4PZ -0.02700 0.00322 0.01950 0.00137 -0.00013 51 5PX -0.00079 0.00781 -0.02397 -0.01192 0.02188 52 5PY -0.00236 0.01277 0.06020 -0.01249 -0.03963 53 5PZ 0.01485 -0.00721 -0.07684 -0.00057 0.01718 54 6PX -0.00790 0.04666 0.00748 0.01463 0.00026 55 6PY 0.01853 0.02061 -0.03050 0.00605 -0.01093 56 6PZ -0.01879 0.00695 0.01822 0.00666 0.03046 57 7D 0 0.06566 -0.01947 -0.00045 -0.02262 -0.05627 58 7D+1 0.04856 -0.10774 -0.05581 -0.07488 0.01002 59 7D-1 -0.11883 -0.02416 0.14971 -0.01651 0.00230 60 7D+2 -0.01762 -0.08337 0.06425 -0.14392 -0.02969 61 7D-2 -0.00350 0.08065 0.03781 0.09371 -0.08352 62 8D 0 0.02288 -0.00680 -0.00337 -0.00779 -0.01926 63 8D+1 0.01708 -0.03601 -0.02110 -0.02600 0.00298 64 8D-1 -0.04159 -0.00714 0.05580 -0.00499 0.00164 65 8D+2 -0.00580 -0.02864 0.02207 -0.05318 -0.00969 66 8D-2 -0.00069 0.02745 0.01202 0.03472 -0.02932 67 4 Cu 1S -0.01254 0.00149 0.00176 -0.00236 -0.00208 68 2S 0.16534 -0.10977 -0.03912 -0.02119 -0.04325 69 3S -0.02417 -0.16022 -0.02609 -0.11305 -0.15096 70 4PX 0.02682 -0.01600 -0.01109 -0.00464 -0.00035 71 4PY 0.02189 -0.01734 -0.00075 -0.00087 -0.01016 72 4PZ -0.00588 0.00241 -0.00820 -0.00952 0.00383 73 5PX -0.02113 0.07413 0.00989 0.01641 0.02173 74 5PY -0.00985 0.06124 0.01671 0.02561 0.04641 75 5PZ 0.00394 -0.00695 -0.01422 0.01401 -0.00398 76 6PX 0.02220 -0.01502 -0.02897 0.01061 0.01744 77 6PY 0.01659 -0.03169 0.01256 0.01616 0.00442 78 6PZ -0.00817 0.00256 -0.03806 -0.02402 0.00629 79 7D 0 -0.06151 0.06429 0.02716 -0.01109 0.05954 80 7D+1 -0.01812 -0.00876 -0.08353 -0.08374 0.04470 81 7D-1 -0.05220 0.02475 -0.07696 -0.14195 0.04365 82 7D+2 0.03115 0.03230 -0.09359 -0.04149 0.11757 83 7D-2 0.12638 -0.13606 -0.04501 -0.03958 -0.00522 84 8D 0 -0.02146 0.02396 0.00899 -0.00584 0.02255 85 8D+1 -0.00596 -0.00279 -0.02785 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-0.00761 0.08431 106 8D 0 0.01189 -0.03222 0.01099 0.03717 -0.04028 107 8D+1 0.04845 -0.01422 0.04087 0.00700 0.03432 108 8D-1 -0.02046 0.02989 0.00287 0.00807 0.04712 109 8D+2 0.02266 0.00844 0.02346 -0.00502 0.01167 110 8D-2 -0.00315 0.01244 0.01193 -0.00325 0.02996 111 6 Cu 1S -0.00741 -0.00002 -0.00013 0.00011 0.00031 112 2S 0.17392 -0.00003 -0.01497 0.00045 0.00183 113 3S 0.14410 -0.00014 -0.01253 -0.00007 -0.00048 114 4PX 0.03080 0.01532 -0.01095 -0.00246 -0.00003 115 4PY -0.04878 0.00949 0.01804 -0.00082 0.00188 116 4PZ -0.03977 0.00029 -0.00855 -0.00075 -0.00191 117 5PX -0.07662 0.02241 0.00840 -0.00172 0.00029 118 5PY 0.12208 0.01369 -0.01281 -0.00048 0.00159 119 5PZ 0.08736 0.00041 -0.03514 -0.00090 -0.00199 120 6PX -0.00928 0.00588 -0.00697 -0.01639 0.00082 121 6PY 0.01604 0.00380 0.01187 -0.00613 0.01180 122 6PZ -0.01976 -0.00002 -0.00914 -0.00515 -0.01392 123 7D 0 0.07225 -0.00951 0.51249 0.18479 0.43951 124 7D+1 -0.01198 -0.28844 -0.17407 0.57324 -0.04229 125 7D-1 0.01631 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145 7D 0 -0.00915 0.00311 -0.16836 -0.00097 -0.00325 146 7D+1 -0.04861 0.10108 0.03459 0.02073 0.01123 147 7D-1 0.07769 0.06504 -0.05041 -0.00269 -0.03084 148 7D+2 -0.03095 -0.14339 -0.04271 0.04013 -0.04065 149 7D-2 -0.06428 0.07040 -0.08280 -0.04081 -0.03247 150 8D 0 -0.00298 0.00102 -0.05488 -0.00044 -0.00139 151 8D+1 -0.01770 0.03301 0.01093 0.00637 0.00369 152 8D-1 0.02825 0.02122 -0.01588 -0.00099 -0.00973 153 8D+2 -0.01114 -0.04679 -0.01412 0.01281 -0.01288 154 8D-2 -0.02319 0.02298 -0.02740 -0.01297 -0.01021 155 8 C 1S 0.03242 -0.00006 -0.00974 -0.00006 -0.00021 156 2S -0.07366 0.00016 0.02390 0.00007 0.00024 157 3S -0.07172 0.00012 0.02587 0.00061 0.00212 158 4PX 0.05837 0.02348 -0.01920 0.00237 -0.00129 159 4PY -0.09521 0.01453 0.03196 0.00167 0.00005 160 4PZ -0.01950 0.00044 -0.02008 0.00090 0.00235 161 5PX 0.00930 0.02050 -0.00679 0.00241 0.00008 162 5PY -0.01493 0.01261 0.01174 0.00073 -0.00227 163 5PZ -0.00905 0.00032 -0.02172 0.00071 0.00199 164 9 O 1S -0.00182 0.00000 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0.01372 11 6PY -0.02415 0.00904 0.01311 -0.00212 0.00379 12 6PZ -0.00304 -0.03250 -0.00849 -0.01231 0.00079 13 7D 0 -0.08637 0.08271 0.10818 -0.16404 -0.03930 14 7D+1 0.05167 -0.11414 -0.11589 -0.00579 0.08368 15 7D-1 -0.07799 0.15862 0.06990 0.17006 -0.10882 16 7D+2 -0.13118 0.11980 0.14817 -0.06797 -0.09056 17 7D-2 0.02540 0.09485 -0.04817 0.34545 -0.11783 18 8D 0 -0.02888 0.02860 0.03532 -0.05367 -0.01413 19 8D+1 0.01643 -0.03640 -0.03759 -0.00221 0.02696 20 8D-1 -0.02859 0.05536 0.02695 0.05908 -0.03823 21 8D+2 -0.04460 0.04067 0.05067 -0.02516 -0.03134 22 8D-2 0.01005 0.03018 -0.01582 0.12082 -0.04144 23 2 Cu 1S -0.00045 0.00040 -0.00085 -0.00270 -0.00168 24 2S -0.04908 -0.07807 0.01814 -0.04321 -0.02115 25 3S -0.05979 -0.13857 0.00939 -0.11732 -0.07061 26 4PX 0.00700 0.00856 -0.00340 0.00298 0.00262 27 4PY -0.00885 0.00656 -0.00746 0.00292 0.01055 28 4PZ -0.00513 0.01138 0.00582 0.00909 -0.00512 29 5PX -0.01389 -0.05851 0.01283 -0.02403 -0.01496 30 5PY 0.00456 -0.02197 -0.00461 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-0.06517 0.02458 -0.03797 91 3S -0.07946 0.05034 -0.09158 0.04879 -0.11727 92 4PX 0.00083 0.00277 -0.01105 0.01280 -0.00524 93 4PY -0.00753 -0.00895 0.00798 0.00624 0.00769 94 4PZ -0.01100 0.00481 -0.00353 -0.00413 -0.00180 95 5PX 0.01116 -0.02632 0.02900 -0.02659 0.03535 96 5PY 0.00274 0.00139 -0.01644 -0.00046 -0.02995 97 5PZ 0.02343 -0.01527 0.03848 -0.00477 0.01039 98 6PX 0.01565 -0.00815 -0.01855 0.02291 0.00832 99 6PY -0.02002 -0.01858 -0.00456 0.02653 0.00480 100 6PZ -0.00410 0.02708 -0.02010 -0.00524 0.00247 101 7D 0 -0.08700 -0.06703 0.14714 -0.16248 0.06750 102 7D+1 0.06243 0.06419 -0.05292 -0.01366 -0.02851 103 7D-1 -0.09292 -0.15508 0.18250 0.12159 0.11271 104 7D+2 0.05491 -0.09130 -0.06383 0.37894 0.04252 105 7D-2 -0.09782 -0.10051 0.12137 0.06615 0.09623 106 8D 0 -0.02840 -0.02270 0.04756 -0.05334 0.02287 107 8D+1 0.02344 0.02409 -0.02136 -0.00572 -0.01110 108 8D-1 -0.03197 -0.05144 0.06247 0.04135 0.03782 109 8D+2 0.01946 -0.02942 -0.02092 0.13314 0.01516 110 8D-2 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54 55 O O O O O EIGENVALUES -- -0.29031 -0.27837 -0.27789 -0.27783 -0.27754 1 1 Cu 1S -0.00034 -0.00122 -0.00054 0.00023 0.00086 2 2S 0.01155 -0.02114 0.00232 0.01271 0.00345 3 3S -0.03098 -0.11542 -0.01641 0.03992 0.05160 4 4PX -0.00515 -0.00017 0.00367 -0.00348 -0.00090 5 4PY -0.00018 0.00152 -0.00401 -0.00200 0.00217 6 4PZ -0.00106 -0.00175 -0.00253 -0.00243 0.00271 7 5PX 0.01326 -0.00703 -0.01428 0.02527 -0.00218 8 5PY -0.00531 -0.01181 0.00277 0.00820 0.00123 9 5PZ 0.00382 0.02171 -0.00102 0.01023 -0.01641 10 6PX -0.01589 -0.01551 -0.00072 0.01566 0.00203 11 6PY -0.01287 -0.00332 0.01490 0.00563 -0.00821 12 6PZ -0.00323 0.03019 -0.00691 -0.00512 -0.00928 13 7D 0 -0.30322 0.11373 -0.25448 0.10623 -0.17026 14 7D+1 -0.04470 -0.00653 0.11771 0.11037 -0.18675 15 7D-1 -0.03109 -0.13144 0.08166 0.11259 -0.25292 16 7D+2 0.31075 0.20184 0.06514 -0.15855 0.08483 17 7D-2 0.05766 0.00509 -0.25926 -0.04112 -0.17749 18 8D 0 -0.10279 0.03643 -0.08590 0.03384 -0.05646 19 8D+1 -0.01642 -0.00266 0.04107 0.03660 -0.06370 20 8D-1 -0.01242 -0.04397 0.02883 0.03724 -0.08485 21 8D+2 0.10512 0.06650 0.02178 -0.05144 0.02899 22 8D-2 0.01625 0.00141 -0.08682 -0.01464 -0.05822 23 2 Cu 1S 0.00038 0.00080 -0.00087 -0.00007 -0.00100 24 2S 0.01162 0.01593 -0.00499 -0.00288 -0.02266 25 3S 0.09670 0.07369 -0.04877 -0.03136 -0.10082 26 4PX 0.00073 -0.00240 0.00226 -0.00110 0.00242 27 4PY -0.00016 0.00079 -0.00032 0.00454 -0.00214 28 4PZ -0.00382 0.00082 -0.00472 0.00100 0.00213 29 5PX 0.00765 0.01660 -0.01296 -0.00972 -0.02116 30 5PY 0.00787 -0.00200 -0.01495 -0.01049 0.00893 31 5PZ 0.02278 0.00359 0.01884 0.01038 -0.01483 32 6PX 0.02189 0.01524 -0.00354 -0.02355 -0.02385 33 6PY 0.01128 -0.00920 0.00379 -0.00564 0.01176 34 6PZ 0.01026 -0.00543 0.01422 -0.00078 -0.00029 35 7D 0 0.07969 0.23762 0.34379 -0.06336 0.02447 36 7D+1 -0.12582 -0.03294 -0.21038 -0.07317 0.03370 37 7D-1 0.18781 0.13805 -0.00248 -0.09584 -0.16472 38 7D+2 0.03809 0.17699 0.00706 0.37013 0.07778 39 7D-2 0.07369 0.03746 0.10454 0.01210 -0.06080 40 8D 0 0.02895 0.07877 0.11445 -0.02277 0.00935 41 8D+1 -0.04316 -0.01210 -0.06983 -0.02356 0.01062 42 8D-1 0.06236 0.04555 -0.00085 -0.03115 -0.05377 43 8D+2 0.01264 0.06031 -0.00011 0.12431 0.02588 44 8D-2 0.02592 0.01306 0.03492 0.00394 -0.01916 45 3 Cu 1S -0.00013 0.00013 0.00092 0.00102 0.00071 46 2S -0.03731 0.00294 0.01574 0.01878 0.01521 47 3S -0.12700 0.01216 0.06908 0.07314 0.09341 48 4PX -0.00020 -0.00104 0.00176 -0.00489 0.00005 49 4PY 0.00037 -0.00005 0.00486 0.00240 -0.00039 50 4PZ 0.00438 -0.00014 0.00124 0.00095 -0.00278 51 5PX 0.00035 0.01203 -0.01762 0.02141 0.01040 52 5PY 0.00329 0.00396 -0.02284 -0.00185 -0.01745 53 5PZ -0.03326 0.00291 0.00578 0.01134 0.01210 54 6PX -0.00424 0.00268 -0.00102 0.01167 0.01506 55 6PY 0.01448 -0.00181 -0.01510 -0.00604 -0.02952 56 6PZ -0.02328 -0.00007 -0.00608 -0.00699 0.01328 57 7D 0 -0.03329 0.06901 0.03763 0.01896 0.22489 58 7D+1 0.06010 0.24486 -0.01272 0.02928 -0.16924 59 7D-1 -0.10964 0.17210 -0.10981 -0.10541 0.23046 60 7D+2 0.00440 -0.30235 0.08683 -0.21923 0.08339 61 7D-2 -0.00270 0.15017 -0.21995 -0.07732 0.07869 62 8D 0 -0.01115 0.02272 0.01201 0.00555 0.07368 63 8D+1 0.02035 0.08093 -0.00295 0.01001 -0.05622 64 8D-1 -0.03763 0.05694 -0.03714 -0.03694 0.07712 65 8D+2 0.00081 -0.10145 0.02683 -0.07276 0.02858 66 8D-2 -0.00215 0.05052 -0.07318 -0.02753 0.02695 67 4 Cu 1S 0.00042 -0.00098 0.00006 -0.00066 -0.00102 68 2S 0.00505 -0.01800 -0.00460 0.00044 -0.02028 69 3S 0.08574 -0.08973 -0.02672 -0.03209 -0.09474 70 4PX 0.00020 -0.00088 -0.00325 -0.00060 0.00052 71 4PY -0.00087 -0.00232 0.00347 -0.00011 -0.00363 72 4PZ -0.00317 -0.00143 0.00223 -0.00471 0.00119 73 5PX -0.01254 0.01145 0.00899 0.01533 0.00663 74 5PY -0.00194 0.01708 0.00167 -0.00376 0.02174 75 5PZ 0.01755 0.00239 0.00571 0.02562 -0.00975 76 6PX -0.02113 0.00167 0.01858 -0.00038 0.00072 77 6PY -0.01239 0.02147 0.01632 0.00168 0.02283 78 6PZ 0.00624 0.00938 0.00020 0.01342 0.00375 79 7D 0 0.08969 -0.16532 -0.06636 0.39438 0.11087 80 7D+1 -0.09303 0.17857 0.12599 0.02202 0.06248 81 7D-1 0.23264 -0.08245 0.05436 0.14846 -0.08939 82 7D+2 0.11162 -0.02191 -0.16812 0.07045 -0.08543 83 7D-2 0.06106 -0.12472 0.33903 0.09151 0.03546 84 8D 0 0.03292 -0.05533 -0.02376 0.13071 0.03826 85 8D+1 -0.03078 0.05823 0.04157 0.00733 0.02029 86 8D-1 0.07801 -0.02839 0.01873 0.04885 -0.02899 87 8D+2 0.03838 -0.00703 -0.05636 0.02418 -0.02707 88 8D-2 0.02097 -0.04282 0.11455 0.02874 0.01179 89 5 Cu 1S -0.00027 0.00125 0.00033 -0.00072 0.00061 90 2S 0.00998 0.02322 0.00886 0.00336 0.00055 91 3S -0.02113 0.12140 0.03526 -0.02567 0.03218 92 4PX 0.00385 0.00134 0.00304 0.00271 -0.00202 93 4PY 0.00479 -0.00135 0.00330 -0.00453 0.00087 94 4PZ -0.00088 0.00154 -0.00081 -0.00345 0.00226 95 5PX -0.00722 -0.01121 -0.02084 0.00103 0.00746 96 5PY -0.01512 0.00299 -0.01937 0.00879 0.00744 97 5PZ 0.00377 -0.02379 0.00447 0.00697 -0.01352 98 6PX 0.01846 -0.00752 -0.00779 -0.01272 0.00774 99 6PY 0.00902 -0.00808 -0.01088 0.00885 -0.00214 100 6PZ -0.00197 -0.03477 -0.00399 -0.00503 -0.00537 101 7D 0 -0.27121 -0.16329 0.10830 -0.24975 -0.09133 102 7D+1 0.17407 -0.07864 -0.10991 -0.15840 0.31720 103 7D-1 0.16261 0.04501 -0.07622 -0.00620 0.05696 104 7D+2 -0.06719 0.04680 0.05870 -0.21079 -0.29116 105 7D-2 0.26190 -0.20637 -0.11107 -0.02177 0.00703 106 8D 0 -0.09137 -0.05351 0.03518 -0.08556 -0.02982 107 8D+1 0.06034 -0.02697 -0.03535 -0.05457 0.10673 108 8D-1 0.05469 0.01475 -0.02462 -0.00233 0.01979 109 8D+2 -0.02639 0.01548 0.01825 -0.07068 -0.09647 110 8D-2 0.08729 -0.06767 -0.03623 -0.00707 0.00288 111 6 Cu 1S -0.00003 -0.00009 -0.00042 -0.00072 0.00043 112 2S -0.00051 0.00079 0.00437 0.00819 -0.00561 113 3S 0.00026 0.00080 0.00385 0.00739 -0.00545 114 4PX 0.00000 0.00606 -0.01427 0.01676 -0.00141 115 4PY 0.00048 0.00239 -0.01614 -0.00335 0.00862 116 4PZ -0.00099 0.00155 0.00771 0.01481 -0.00978 117 5PX -0.00144 -0.02475 0.05776 -0.06958 0.00599 118 5PY 0.00636 -0.00931 0.06722 0.01521 -0.03546 119 5PZ -0.00426 -0.00625 -0.03143 -0.06057 0.03994 120 6PX -0.00078 0.01077 -0.02327 0.02753 -0.00194 121 6PY 0.00233 0.00412 -0.02668 -0.00536 0.01404 122 6PZ -0.00224 0.00241 0.01051 0.02056 -0.01424 123 7D 0 -0.15780 0.00363 0.08905 0.19826 -0.18377 124 7D+1 -0.00313 -0.02859 -0.18620 0.03968 0.06603 125 7D-1 0.13326 0.01076 -0.03080 0.16905 -0.01418 126 7D+2 0.10822 -0.08509 0.21833 -0.06079 -0.02600 127 7D-2 0.12491 0.07137 -0.03157 0.13863 -0.00026 128 8D 0 -0.04594 0.00182 0.02829 0.06165 -0.05483 129 8D+1 -0.00088 -0.00628 -0.05650 0.01156 0.02026 130 8D-1 0.03863 0.00425 -0.00982 0.05102 -0.00596 131 8D+2 0.03126 -0.02514 0.06824 -0.01954 -0.00988 132 8D-2 0.03609 0.02078 -0.01042 0.04388 -0.00227 133 7 Cu 1S -0.00004 -0.00004 -0.00024 -0.00047 0.00037 134 2S -0.00119 0.00039 0.00238 0.00432 -0.00288 135 3S -0.00482 -0.00206 -0.01114 -0.02197 0.01726 136 4PX 0.00005 -0.00203 0.00672 -0.00746 0.00034 137 4PY -0.00021 -0.00082 0.00705 0.00086 -0.00382 138 4PZ 0.00015 -0.00059 -0.00350 -0.00697 0.00507 139 5PX -0.00109 0.01004 -0.03372 0.03327 0.00025 140 5PY 0.00654 0.00467 -0.03181 -0.00005 0.01532 141 5PZ -0.00648 0.00319 0.01863 0.03705 -0.02703 142 6PX 0.00061 -0.00422 0.00734 -0.00933 0.00129 143 6PY -0.00576 -0.00160 0.00894 0.00248 -0.00542 144 6PZ 0.00864 -0.00075 -0.00233 -0.00458 0.00312 145 7D 0 -0.13562 0.08844 0.13432 0.13600 0.15545 146 7D+1 -0.02326 0.32923 0.01884 -0.01888 0.00381 147 7D-1 0.17140 0.12335 -0.10396 -0.11192 -0.17472 148 7D+2 0.15357 0.16425 0.01637 -0.11450 -0.18885 149 7D-2 0.16846 -0.18170 -0.11168 0.01536 -0.20878 150 8D 0 -0.04497 0.02790 0.04222 0.04255 0.04936 151 8D+1 -0.00769 0.10403 0.00649 -0.00562 0.00084 152 8D-1 0.05684 0.03883 -0.03312 -0.03627 -0.05471 153 8D+2 0.05097 0.05215 0.00485 -0.03586 -0.05974 154 8D-2 0.05591 -0.05754 -0.03499 0.00502 -0.06622 155 8 C 1S 0.00014 -0.00002 -0.00009 0.00005 -0.00026 156 2S -0.00068 -0.00010 -0.00038 -0.00103 0.00094 157 3S 0.00264 0.00069 0.00303 0.00424 -0.00090 158 4PX 0.00062 -0.00902 0.02600 -0.01838 -0.00339 159 4PY -0.00007 -0.00499 0.01860 -0.00686 -0.00421 160 4PZ -0.00130 -0.00301 -0.01461 -0.02768 0.01801 161 5PX 0.00019 -0.00136 0.00354 -0.00466 0.00045 162 5PY -0.00161 -0.00041 0.00422 0.00100 -0.00291 163 5PZ 0.00208 -0.00007 -0.00070 -0.00192 0.00248 164 9 O 1S -0.00003 -0.00001 -0.00011 -0.00025 0.00028 165 2S 0.00041 0.00013 0.00078 0.00147 -0.00109 166 3S -0.00135 -0.00018 -0.00032 -0.00006 -0.00117 167 4PX -0.00094 0.01354 -0.04424 0.02725 0.00741 168 4PY -0.00030 0.00816 -0.02735 0.01605 0.00442 169 4PZ 0.00266 0.00482 0.02486 0.04736 -0.03221 170 5PX 0.00005 0.00642 -0.02270 0.01461 0.00373 171 5PY -0.00060 0.00382 -0.01441 0.00787 0.00282 172 5PZ 0.00068 0.00223 0.01235 0.02396 -0.01711 56 57 58 59 60 O O O O O EIGENVALUES -- -0.27191 -0.27183 -0.26805 -0.26748 -0.26719 1 1 Cu 1S 0.00186 -0.00232 0.00034 -0.00118 0.00076 2 2S -0.04552 0.05596 -0.00154 0.05255 0.00785 3 3S -0.01050 0.00857 0.04745 0.04049 0.13564 4 4PX 0.00490 -0.00235 -0.00279 -0.00260 -0.00160 5 4PY 0.00432 -0.00488 -0.00178 -0.00697 -0.00658 6 4PZ -0.00492 0.00705 0.00068 0.00261 0.00492 7 5PX 0.00087 0.01836 0.00530 0.00364 0.02083 8 5PY -0.00968 0.01183 0.01316 0.02464 0.04525 9 5PZ 0.02104 -0.00550 -0.01738 -0.00122 -0.03144 10 6PX 0.00368 0.00225 -0.00083 0.00155 0.01114 11 6PY -0.00432 0.00267 0.00722 0.01337 0.02510 12 6PZ 0.00117 0.00210 -0.00981 0.00072 -0.01542 13 7D 0 0.11872 0.12442 -0.03505 -0.02101 0.07716 14 7D+1 0.12088 -0.02315 -0.00187 -0.10273 0.02947 15 7D-1 -0.22012 0.20685 0.20407 0.13573 0.41940 16 7D+2 -0.02362 -0.10563 0.03781 0.15094 0.10597 17 7D-2 0.13735 -0.17122 -0.02381 -0.22719 -0.27917 18 8D 0 0.03858 0.04018 -0.01124 -0.00599 0.02499 19 8D+1 0.03878 -0.00710 -0.00066 -0.03301 0.00905 20 8D-1 -0.07163 0.06730 0.06565 0.04451 0.13514 21 8D+2 -0.00769 -0.03387 0.01189 0.05002 0.03418 22 8D-2 0.04463 -0.05572 -0.00785 -0.07379 -0.08985 23 2 Cu 1S -0.00178 -0.00258 -0.00050 -0.00114 -0.00071 24 2S 0.04833 0.07388 -0.01773 0.04900 0.00097 25 3S 0.01061 0.03143 -0.12245 -0.00109 -0.07587 26 4PX -0.00648 -0.01177 0.00642 -0.00108 0.00284 27 4PY -0.00321 -0.00164 0.00327 -0.00460 0.00327 28 4PZ -0.00065 -0.00389 0.00504 -0.00572 0.00089 29 5PX 0.01009 0.02995 -0.04257 -0.01632 -0.02387 30 5PY -0.00411 0.01513 -0.02315 0.02036 -0.01132 31 5PZ 0.01942 0.00518 -0.02578 0.02571 -0.01796 32 6PX -0.00030 0.00390 -0.02254 -0.00690 -0.01381 33 6PY -0.00143 0.00743 -0.01211 0.00092 -0.00382 34 6PZ 0.00677 0.00343 -0.01142 0.00653 -0.01153 35 7D 0 0.01732 0.02172 -0.08237 -0.25237 0.00119 36 7D+1 -0.26195 -0.17790 0.29531 -0.02821 0.21420 37 7D-1 0.12081 0.20171 -0.03788 -0.03999 -0.00513 38 7D+2 -0.03223 -0.19378 0.19951 -0.00036 0.12148 39 7D-2 -0.01317 -0.32794 0.32400 -0.15106 0.11896 40 8D 0 0.00554 0.00725 -0.02614 -0.08141 0.00047 41 8D+1 -0.08513 -0.05797 0.09542 -0.01000 0.06871 42 8D-1 0.03882 0.06513 -0.01233 -0.01295 -0.00176 43 8D+2 -0.01083 -0.06303 0.06391 0.00007 0.03869 44 8D-2 -0.00456 -0.10649 0.10454 -0.04942 0.03846 45 3 Cu 1S -0.00308 0.00040 0.00140 -0.00060 -0.00006 46 2S 0.09465 -0.01282 -0.01213 0.05051 -0.00130 47 3S 0.04419 -0.00736 0.12876 0.05553 -0.00857 48 4PX -0.00299 0.00241 -0.00109 0.00232 -0.00165 49 4PY 0.00911 -0.00032 0.00307 -0.00249 -0.00072 50 4PZ -0.01184 0.00191 -0.00480 -0.01044 0.00052 51 5PX 0.00714 0.01635 0.01108 -0.01689 -0.00250 52 5PY -0.01611 0.01205 -0.03059 0.02296 -0.00189 53 5PZ 0.03763 -0.00358 0.04315 0.04614 -0.00471 54 6PX -0.00127 0.00630 0.00480 -0.00226 -0.00437 55 6PY 0.00182 0.00318 -0.01542 0.00234 -0.00180 56 6PZ 0.01311 -0.00135 0.02673 0.01072 -0.00243 57 7D 0 -0.14929 0.01049 -0.21030 -0.25616 0.03927 58 7D+1 -0.23929 -0.03653 -0.15085 -0.02598 0.08136 59 7D-1 0.43468 -0.07854 0.38369 0.07752 0.02097 60 7D+2 -0.10415 -0.16504 0.03111 -0.08819 0.00568 61 7D-2 -0.19335 0.15936 -0.01739 -0.17717 -0.00311 62 8D 0 -0.04905 0.00342 -0.06746 -0.08301 0.01259 63 8D+1 -0.07766 -0.01205 -0.04843 -0.00847 0.02589 64 8D-1 0.14129 -0.02564 0.12306 0.02506 0.00664 65 8D+2 -0.03361 -0.05328 0.00980 -0.02907 0.00178 66 8D-2 -0.06260 0.05153 -0.00582 -0.05800 -0.00084 67 4 Cu 1S -0.00098 0.00297 -0.00034 -0.00105 0.00084 68 2S 0.02520 -0.08206 -0.02030 0.04780 -0.00352 69 3S 0.00046 -0.02956 -0.11610 0.00689 0.08772 70 4PX 0.00355 -0.00944 -0.00689 0.00555 0.00456 71 4PY 0.00080 -0.00960 -0.00423 -0.00053 0.00112 72 4PZ 0.00131 0.00096 0.00338 -0.00453 0.00019 73 5PX 0.00321 0.02772 0.04479 -0.01348 -0.02859 74 5PY -0.00701 0.01934 0.02403 0.01754 -0.01986 75 5PZ 0.01694 -0.00223 -0.01345 0.02535 0.01090 76 6PX 0.00294 0.00748 0.02330 0.00003 -0.01508 77 6PY -0.00151 -0.00026 0.01179 0.00389 -0.01215 78 6PZ 0.00555 -0.00320 -0.00509 0.00881 0.00812 79 7D 0 0.06315 -0.04382 -0.14137 -0.22282 0.09980 80 7D+1 0.06687 0.13370 -0.00867 0.09874 0.06722 81 7D-1 0.18696 -0.27262 -0.19587 0.05288 0.16854 82 7D+2 0.07181 0.16140 0.21478 -0.14519 -0.07048 83 7D-2 0.01230 0.33024 0.35198 -0.11235 -0.22220 84 8D 0 0.02044 -0.01453 -0.04530 -0.07157 0.03192 85 8D+1 0.02193 0.04303 -0.00299 0.03231 0.02143 86 8D-1 0.06052 -0.08833 -0.06357 0.01771 0.05422 87 8D+2 0.02311 0.05246 0.06947 -0.04761 -0.02292 88 8D-2 0.00363 0.10754 0.11330 -0.03654 -0.07113 89 5 Cu 1S 0.00247 0.00160 0.00033 -0.00126 -0.00064 90 2S -0.05913 -0.03807 -0.00393 0.05107 -0.01396 91 3S -0.01020 -0.00497 0.03418 0.02533 -0.14400 92 4PX -0.00610 -0.00213 0.00226 0.00566 -0.00629 93 4PY -0.00064 0.00164 0.00148 -0.00155 0.00293 94 4PZ -0.00801 -0.00555 0.00052 0.00334 -0.00636 95 5PX 0.00799 0.01648 -0.00615 -0.01504 0.04524 96 5PY -0.00534 0.01033 0.00423 0.00886 -0.01305 97 5PZ 0.02289 0.00354 -0.01486 -0.00169 0.04175 98 6PX 0.00202 0.00335 -0.00127 -0.00905 0.02504 99 6PY -0.00504 0.00172 0.00500 0.00623 -0.00773 100 6PZ 0.00014 -0.00160 -0.00827 0.00075 0.02068 101 7D 0 0.08703 -0.10889 -0.06802 -0.00661 0.02445 102 7D+1 0.15582 0.18838 -0.09944 -0.06583 0.44286 103 7D-1 -0.25798 -0.01717 0.10793 0.16290 -0.26370 104 7D+2 0.10628 0.03541 0.02171 -0.17527 0.22708 105 7D-2 0.10567 0.13826 0.02579 0.02484 0.00386 106 8D 0 0.02859 -0.03506 -0.02187 -0.00158 0.00756 107 8D+1 0.05104 0.06133 -0.03197 -0.02225 0.14265 108 8D-1 -0.08345 -0.00552 0.03466 0.05297 -0.08538 109 8D+2 0.03457 0.01169 0.00693 -0.05734 0.07322 110 8D-2 0.03411 0.04457 0.00796 0.00919 0.00119 111 6 Cu 1S 0.00031 -0.00001 -0.00022 0.00063 -0.00001 112 2S 0.00629 -0.00025 -0.00176 0.00567 -0.00010 113 3S 0.01785 -0.00110 -0.02114 0.09574 -0.00405 114 4PX 0.01055 0.02043 -0.00298 0.01372 0.00062 115 4PY -0.01593 0.01347 0.00580 -0.02141 0.00136 116 4PZ 0.01606 -0.00016 0.00211 -0.01515 0.00091 117 5PX -0.03397 -0.07613 0.00587 -0.03106 0.00012 118 5PY 0.05086 -0.04979 -0.01186 0.04855 -0.00289 119 5PZ -0.06404 0.00073 -0.00445 0.03048 -0.00165 120 6PX -0.01321 -0.02291 0.00168 -0.00701 0.00039 121 6PY 0.02024 -0.01519 -0.00347 0.01072 -0.00037 122 6PZ -0.02184 0.00030 -0.00270 0.01520 -0.00045 123 7D 0 0.02361 0.00014 -0.04393 -0.00373 0.01383 124 7D+1 -0.04854 0.01940 0.03569 -0.17601 0.06577 125 7D-1 0.07843 0.00748 -0.01819 0.29211 0.01068 126 7D+2 -0.01489 -0.03388 0.05852 -0.09025 0.04088 127 7D-2 -0.03018 0.01802 0.08891 -0.20172 -0.02855 128 8D 0 0.00957 0.00000 -0.01148 -0.00172 0.00367 129 8D+1 -0.01546 0.00743 0.01114 -0.05405 0.01766 130 8D-1 0.02502 0.00323 -0.00739 0.08922 0.00233 131 8D+2 -0.00400 -0.01297 0.01655 -0.02844 0.01106 132 8D-2 -0.00794 0.00674 0.02579 -0.06288 -0.00723 133 7 Cu 1S -0.00132 0.00007 0.00111 -0.00496 0.00020 134 2S 0.00996 -0.00045 -0.00932 0.04104 -0.00155 135 3S -0.04167 0.00244 0.04081 -0.18646 0.00785 136 4PX 0.00457 0.01175 -0.00005 0.00007 0.00128 137 4PY -0.00676 0.00757 0.00106 0.00018 0.00051 138 4PZ 0.01148 -0.00018 -0.00165 0.00192 0.00027 139 5PX -0.01545 -0.02591 0.00469 -0.02035 -0.00344 140 5PY 0.02337 -0.01732 -0.01037 0.03125 -0.00301 141 5PZ -0.01853 -0.00004 -0.00199 0.02759 -0.00230 142 6PX -0.00288 -0.00047 0.00309 -0.01381 -0.00066 143 6PY 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29 5PX 0.01012 0.00262 0.01732 -0.01201 0.00013 30 5PY -0.04004 0.02628 -0.00353 0.02576 0.00276 31 5PZ -0.01274 -0.02675 -0.00663 0.01730 -0.00397 32 6PX 0.00552 0.00346 0.00141 0.00764 0.00073 33 6PY -0.00329 0.01567 -0.00234 0.01130 0.00001 34 6PZ 0.00945 -0.00824 -0.00097 0.01382 -0.00201 35 7D 0 -0.05244 0.31516 0.08365 -0.22234 -0.28197 36 7D+1 0.06438 -0.00224 -0.09368 -0.10449 0.17028 37 7D-1 -0.05729 0.00063 0.10380 0.09830 -0.01497 38 7D+2 -0.30772 0.13310 -0.15187 0.30776 -0.19041 39 7D-2 0.13928 -0.08928 -0.10584 -0.16792 -0.09583 40 8D 0 -0.01588 0.10202 0.02664 -0.07235 -0.08854 41 8D+1 0.01983 -0.00054 -0.02955 -0.03378 0.05400 42 8D-1 -0.02015 -0.00076 0.03205 0.03182 -0.00405 43 8D+2 -0.10071 0.04225 -0.04800 0.10004 -0.05997 44 8D-2 0.04516 -0.03009 -0.03350 -0.05507 -0.03027 45 3 Cu 1S 0.00001 -0.00043 -0.00101 -0.00169 -0.00004 46 2S 0.00262 0.00161 0.02882 -0.02560 -0.00020 47 3S 0.00379 -0.01723 0.00524 -0.09629 -0.00218 48 4PX 0.00546 -0.00081 -0.00186 -0.00424 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3S 0.02604 0.00625 0.00633 0.08342 -0.00058 70 4PX 0.00521 0.00514 0.00357 0.00284 -0.00003 71 4PY -0.00337 -0.00246 0.00438 -0.00626 0.00034 72 4PZ -0.00342 0.00338 0.00085 -0.00236 -0.00059 73 5PX -0.02691 -0.02423 -0.00566 -0.01775 0.00012 74 5PY 0.02718 0.02156 -0.01533 0.02187 -0.00047 75 5PZ 0.01922 -0.02607 -0.00949 0.01336 0.00356 76 6PX 0.00457 -0.01239 0.00176 -0.01526 -0.00094 77 6PY 0.00611 0.00853 -0.00300 -0.00065 0.00063 78 6PZ -0.00537 -0.01160 -0.00160 0.00974 0.00210 79 7D 0 -0.01802 0.29258 0.08404 -0.19273 0.31851 80 7D+1 -0.01401 -0.12291 -0.08944 0.00691 0.00602 81 7D-1 0.14699 0.01285 0.09290 0.22305 0.13800 82 7D+2 -0.21049 -0.17347 -0.02387 -0.23651 0.00921 83 7D-2 0.17749 0.14054 -0.19763 0.17423 0.18857 84 8D 0 -0.00732 0.09445 0.02687 -0.06272 0.10028 85 8D+1 -0.00598 -0.03970 -0.02784 0.00203 0.00269 86 8D-1 0.04831 0.00352 0.02889 0.07235 0.04345 87 8D+2 -0.06808 -0.05717 -0.00775 -0.07739 0.00264 88 8D-2 0.05877 0.04471 -0.06248 0.05655 0.05943 89 5 Cu 1S -0.00017 -0.00077 -0.00149 -0.00050 -0.00008 90 2S 0.00896 0.04143 0.03477 -0.00696 0.00053 91 3S 0.01422 0.03629 0.00618 -0.03150 -0.00247 92 4PX 0.00517 0.00548 0.00321 0.00285 -0.00050 93 4PY 0.00099 -0.00785 0.00003 0.00585 -0.00054 94 4PZ -0.00235 0.00063 0.00557 -0.00078 0.00063 95 5PX -0.03226 -0.01846 -0.00264 -0.01021 0.00233 96 5PY -0.00951 0.04771 -0.00489 -0.02540 0.00289 97 5PZ 0.01982 0.01035 -0.01751 0.00508 -0.00224 98 6PX -0.00685 0.00664 0.00279 0.00039 0.00098 99 6PY -0.01139 0.00916 -0.00505 -0.00771 0.00200 100 6PZ 0.00810 0.00281 -0.00425 0.00343 -0.00055 101 7D 0 0.05528 0.23618 -0.08212 -0.07728 0.14908 102 7D+1 0.15469 -0.03587 -0.19970 -0.07131 -0.21884 103 7D-1 0.01653 0.25176 0.13756 -0.11943 -0.05136 104 7D+2 -0.35420 0.12533 -0.07478 -0.01838 0.30974 105 7D-2 -0.02826 0.06091 -0.09073 0.00024 -0.01851 106 8D 0 0.01868 0.07711 -0.02608 -0.02452 0.04695 107 8D+1 0.05053 -0.01021 -0.06348 -0.02365 -0.06906 108 8D-1 0.00513 0.08246 0.04339 -0.03973 -0.01615 109 8D+2 -0.11431 0.04099 -0.02372 -0.00621 0.09775 110 8D-2 -0.01025 0.01880 -0.02821 -0.00022 -0.00538 111 6 Cu 1S 0.00000 0.00068 -0.00006 0.00011 0.00000 112 2S -0.00004 -0.00165 0.01900 -0.00003 0.00001 113 3S -0.00044 0.05115 -0.01965 -0.00164 -0.00003 114 4PX -0.01236 0.00285 0.00403 -0.00006 -0.00091 115 4PY -0.00752 -0.00420 -0.00635 0.00009 -0.00057 116 4PZ -0.00004 -0.02051 -0.00651 0.00034 -0.00001 117 5PX 0.06169 0.00643 0.01330 0.00045 0.00318 118 5PY 0.03808 -0.01181 -0.02161 -0.00113 0.00196 119 5PZ 0.00040 0.07977 -0.00460 -0.00050 0.00001 120 6PX -0.00815 -0.00725 -0.00552 0.00052 0.00090 121 6PY -0.00514 0.01148 0.00916 -0.00022 0.00055 122 6PZ -0.00019 0.00187 -0.00369 -0.00007 0.00001 123 7D 0 -0.00181 -0.12987 -0.01506 0.13585 0.00286 124 7D+1 -0.07189 -0.05850 -0.03810 0.00692 0.00000 125 7D-1 -0.04704 0.09312 0.05958 -0.11964 -0.00256 126 7D+2 0.11082 -0.08710 -0.02871 -0.09672 0.00162 127 7D-2 -0.05145 -0.17760 -0.05882 -0.11258 -0.00416 128 8D 0 -0.00054 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-0.02616 148 7D+2 -0.14563 0.08231 -0.15559 0.05960 0.05633 149 7D-2 0.06973 0.16859 -0.32684 0.07844 -0.02524 150 8D 0 0.00034 0.04087 0.00506 -0.04605 -0.00145 151 8D+1 0.02661 0.01558 -0.08996 0.00343 -0.01385 152 8D-1 0.01762 -0.02493 0.14297 0.02721 -0.00825 153 8D+2 -0.04623 0.02651 -0.04907 0.01918 0.01784 154 8D-2 0.02212 0.05431 -0.10307 0.02519 -0.00799 155 8 C 1S -0.00018 0.01740 0.01270 -0.00023 0.00000 156 2S 0.00036 -0.03527 -0.02380 0.00074 0.00000 157 3S 0.00088 -0.08810 -0.07821 -0.00046 -0.00004 158 4PX 0.01671 0.02779 0.01891 -0.00087 0.00086 159 4PY 0.01082 -0.04598 -0.03113 0.00002 0.00052 160 4PZ 0.00013 0.01716 0.00015 0.00212 0.00005 161 5PX 0.00117 0.00247 0.01154 -0.00015 0.00014 162 5PY 0.00072 -0.00417 -0.01876 0.00044 0.00008 163 5PZ 0.00000 0.00264 -0.00349 -0.00074 0.00000 164 9 O 1S 0.00003 -0.00327 -0.00178 0.00006 0.00000 165 2S -0.00008 0.00868 0.00620 -0.00047 0.00000 166 3S -0.00018 0.01664 0.00304 0.00075 0.00001 167 4PX -0.02512 -0.01929 -0.01222 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0.09036 14 7D+1 0.40332 0.14251 -0.11158 0.11782 0.09935 15 7D-1 0.05337 -0.03953 -0.00072 -0.15841 -0.07585 16 7D+2 -0.02177 -0.31318 -0.00203 -0.11089 0.14097 17 7D-2 0.00079 0.00381 0.06121 -0.25929 -0.06160 18 8D 0 -0.09136 -0.03380 -0.08221 0.07535 0.02941 19 8D+1 0.13118 0.04508 -0.03661 0.03886 0.03217 20 8D-1 0.01745 -0.01214 0.00081 -0.05227 -0.02424 21 8D+2 -0.00706 -0.10379 -0.00185 -0.03668 0.04566 22 8D-2 0.00066 -0.00024 0.02037 -0.08552 -0.01980 23 2 Cu 1S 0.00086 0.00052 -0.00024 -0.00004 0.00088 24 2S 0.01525 -0.00913 0.00829 0.00254 0.00801 25 3S 0.05019 0.02274 -0.00957 0.00303 0.06416 26 4PX 0.00342 0.00003 -0.00030 0.00057 -0.00112 27 4PY -0.00019 -0.00337 -0.00741 0.00800 0.00107 28 4PZ -0.00647 0.00753 0.00336 -0.00859 0.00851 29 5PX -0.01206 0.00712 -0.00317 -0.00358 0.00972 30 5PY 0.00414 0.01185 0.03815 -0.04083 -0.00767 31 5PZ 0.02980 -0.03760 -0.01034 0.04346 -0.03199 32 6PX 0.00440 0.00650 -0.00294 -0.00449 0.01312 33 6PY 0.00632 0.00546 0.01695 -0.03792 0.00075 34 6PZ 0.01339 -0.01651 -0.00122 0.03951 0.00044 35 7D 0 -0.15078 0.05314 -0.04059 -0.17774 0.02438 36 7D+1 -0.10036 0.23369 0.02565 -0.24155 0.09696 37 7D-1 0.02516 0.15283 -0.17212 0.02442 0.38154 38 7D+2 0.20171 -0.02115 0.03302 -0.04906 0.00550 39 7D-2 -0.11576 -0.05871 -0.23539 0.24774 0.01497 40 8D 0 -0.04902 0.01774 -0.01263 -0.05855 0.00761 41 8D+1 -0.03346 0.07618 0.00839 -0.07975 0.03158 42 8D-1 0.00761 0.05144 -0.05804 0.00817 0.12303 43 8D+2 0.06570 -0.00719 0.01166 -0.01604 0.00190 44 8D-2 -0.03693 -0.01943 -0.07641 0.08179 0.00516 45 3 Cu 1S 0.00006 -0.00027 -0.00039 0.00000 -0.00103 46 2S 0.00118 0.00541 0.00787 -0.00031 -0.00980 47 3S 0.00314 -0.01620 -0.02411 -0.00042 -0.07587 48 4PX -0.00255 -0.00817 0.00657 0.01003 0.00196 49 4PY -0.00179 -0.00540 0.00166 0.00528 -0.00370 50 4PZ -0.00052 -0.00286 -0.00214 0.00121 -0.00623 51 5PX 0.00833 0.03400 -0.03405 -0.05083 -0.01068 52 5PY 0.00651 0.02951 0.00035 -0.02677 0.01987 53 5PZ 0.00233 0.01469 0.01291 -0.00609 0.02236 54 6PX -0.00187 0.01289 -0.01548 -0.04729 -0.00534 55 6PY -0.00064 0.01436 0.00380 -0.02498 0.01207 56 6PZ 0.00102 0.00572 0.00527 -0.00555 -0.00812 57 7D 0 -0.00774 -0.18749 -0.24010 0.05578 -0.34912 58 7D+1 0.03101 -0.09833 0.14289 0.28286 0.13369 59 7D-1 0.00796 -0.05624 0.01868 0.12363 -0.07703 60 7D+2 -0.00804 -0.13457 0.10098 0.16023 0.11773 61 7D-2 -0.02006 0.13207 -0.05280 -0.14790 0.19815 62 8D 0 -0.00266 -0.06193 -0.07938 0.01838 -0.11259 63 8D+1 0.00963 -0.03186 0.04779 0.09323 0.04284 64 8D-1 0.00241 -0.01921 0.00514 0.04072 -0.02429 65 8D+2 -0.00320 -0.04362 0.03331 0.05303 0.03793 66 8D-2 -0.00599 0.04366 -0.01634 -0.04888 0.06375 67 4 Cu 1S -0.00098 -0.00042 0.00040 0.00004 0.00080 68 2S -0.01708 0.01297 -0.00464 -0.00271 0.00703 69 3S -0.05816 -0.01449 0.01755 -0.00305 0.05789 70 4PX 0.00050 0.00459 0.00347 0.00531 -0.00088 71 4PY 0.00255 -0.00270 -0.00425 -0.00494 -0.00005 72 4PZ 0.00753 0.00004 0.00832 0.00932 0.00915 73 5PX 0.00260 -0.02245 -0.01749 -0.02758 0.00366 74 5PY -0.00983 0.02090 0.01488 0.02471 -0.00611 75 5PZ -0.03396 0.00645 -0.03946 -0.04749 -0.03475 76 6PX 0.01079 -0.00934 -0.00978 -0.02641 -0.00742 77 6PY 0.00190 0.01088 0.00447 0.02180 -0.00908 78 6PZ -0.01338 0.00651 -0.01641 -0.04338 -0.00245 79 7D 0 0.12963 -0.00889 -0.06772 0.08843 -0.05413 80 7D+1 -0.06209 0.19477 -0.19563 -0.20755 -0.33366 81 7D-1 -0.19046 -0.03017 -0.13736 -0.21788 0.11644 82 7D+2 0.18882 -0.23972 -0.12422 -0.24182 0.07717 83 7D-2 -0.13278 -0.04494 -0.01666 0.01038 0.02317 84 8D 0 0.04180 -0.00206 -0.02148 0.02910 -0.01779 85 8D+1 -0.02118 0.06546 -0.06449 -0.06841 -0.10768 86 8D-1 -0.06227 -0.01112 -0.04448 -0.07200 0.03739 87 8D+2 0.06094 -0.07859 -0.04047 -0.07980 0.02516 88 8D-2 -0.04335 -0.01355 -0.00529 0.00329 0.00770 89 5 Cu 1S 0.00171 0.00017 0.00031 0.00002 -0.00026 90 2S 0.02247 0.00191 -0.02224 -0.00139 -0.00185 91 3S 0.10187 0.01032 -0.00703 -0.00085 -0.01800 92 4PX 0.00413 -0.00497 -0.00445 -0.00720 0.00821 93 4PY -0.00324 -0.00687 0.00401 -0.00854 0.00679 94 4PZ -0.00700 0.00272 0.00166 0.00452 -0.00510 95 5PX -0.02435 0.02169 0.02308 0.03725 -0.02933 96 5PY 0.01543 0.03201 -0.02490 0.04444 -0.02246 97 5PZ 0.02399 -0.01330 -0.01707 -0.02370 0.01987 98 6PX -0.01907 0.00765 0.01361 0.03343 -0.00054 99 6PY 0.00976 0.01420 -0.01330 0.04097 -0.00239 100 6PZ -0.00197 -0.00682 -0.00878 -0.02214 0.00471 101 7D 0 0.39600 -0.12730 -0.22867 -0.19412 0.06092 102 7D+1 0.16898 0.13701 0.05302 0.06250 -0.01797 103 7D-1 0.25815 0.18794 -0.12018 0.23696 -0.09234 104 7D+2 -0.01395 -0.01093 0.11412 0.22246 -0.11431 105 7D-2 -0.05905 0.10820 -0.23168 0.15841 0.07336 106 8D 0 0.12909 -0.04110 -0.07522 -0.06410 0.01982 107 8D+1 0.05486 0.04398 0.01703 0.02063 -0.00604 108 8D-1 0.08401 0.06111 -0.03774 0.07821 -0.02979 109 8D+2 -0.00487 -0.00232 0.03715 0.07336 -0.03679 110 8D-2 -0.01943 0.03545 -0.07819 0.05233 0.02382 111 6 Cu 1S -0.00003 -0.00006 -0.00012 0.00000 0.00002 112 2S -0.00003 0.00029 0.00055 0.00001 -0.00001 113 3S 0.00001 -0.00320 -0.00656 0.00005 -0.00047 114 4PX 0.00032 -0.00590 0.00420 0.00054 0.00001 115 4PY 0.00015 -0.00496 -0.00015 0.00033 0.00015 116 4PZ 0.00019 0.00353 0.00769 0.00002 -0.00025 117 5PX -0.00274 0.02513 -0.02108 -0.00142 0.00015 118 5PY -0.00092 0.02389 0.00459 -0.00083 -0.00076 119 5PZ -0.00093 -0.01464 -0.03186 -0.00005 0.00060 120 6PX -0.00029 0.00558 -0.00467 0.00065 -0.00013 121 6PY -0.00001 0.00539 0.00108 0.00040 0.00102 122 6PZ -0.00022 -0.00362 -0.00777 0.00001 -0.00107 123 7D 0 -0.03837 0.02362 0.05860 0.00014 0.01017 124 7D+1 -0.16616 -0.04437 0.03357 0.00152 0.00061 125 7D-1 -0.06897 -0.03460 0.00085 0.00089 -0.01115 126 7D+2 -0.09014 0.02573 0.00421 -0.00209 -0.01026 127 7D-2 0.09231 0.00458 0.02551 0.00103 -0.01105 128 8D 0 -0.01116 0.00747 0.01835 0.00004 0.00227 129 8D+1 -0.04868 -0.01362 0.00994 0.00050 0.00016 130 8D-1 -0.02013 -0.01039 0.00063 0.00029 -0.00261 131 8D+2 -0.02679 0.00891 0.00122 -0.00069 -0.00248 132 8D-2 0.02736 0.00129 0.00877 0.00034 -0.00265 133 7 Cu 1S 0.00001 0.00012 0.00028 0.00000 -0.00001 134 2S -0.00010 -0.00128 -0.00278 -0.00002 0.00024 135 3S 0.00065 0.00785 0.01693 0.00006 0.00008 136 4PX -0.00211 0.00976 -0.01008 0.00101 0.00008 137 4PY -0.00083 0.01091 0.00404 0.00061 -0.00093 138 4PZ -0.00053 -0.00512 -0.01124 0.00003 0.00113 139 5PX 0.01090 -0.05222 0.05571 -0.00349 -0.00037 140 5PY 0.00425 -0.05996 -0.02378 -0.00213 0.00413 141 5PZ 0.00270 0.02692 0.05911 -0.00012 -0.00485 142 6PX 0.00522 -0.02324 0.02470 -0.00213 0.00000 143 6PY 0.00206 -0.02662 -0.01057 -0.00129 0.00015 144 6PZ 0.00136 0.01234 0.02693 -0.00009 -0.00021 145 7D 0 0.05067 0.19570 0.42195 -0.00100 0.23720 146 7D+1 0.16676 -0.28528 0.02521 -0.01436 0.01867 147 7D-1 0.08539 -0.09750 0.20125 -0.00917 -0.25256 148 7D+2 0.01731 0.40852 -0.06748 0.01754 -0.22440 149 7D-2 -0.03278 -0.08178 0.28827 -0.00826 -0.24701 150 8D 0 0.01618 0.06196 0.13357 -0.00032 0.07436 151 8D+1 0.05339 -0.09030 0.00762 -0.00457 0.00591 152 8D-1 0.02728 -0.03058 0.06413 -0.00291 -0.07934 153 8D+2 0.00581 0.12976 -0.02148 0.00561 -0.07056 154 8D-2 -0.01073 -0.02603 0.09152 -0.00264 -0.07765 155 8 C 1S -0.00011 -0.00141 -0.00298 -0.00001 0.00006 156 2S 0.00016 0.00299 0.00633 0.00001 -0.00008 157 3S 0.00093 0.00693 0.01473 0.00003 -0.00039 158 4PX -0.00262 0.00439 -0.00823 -0.00056 -0.00001 159 4PY -0.00111 0.00815 0.00655 -0.00032 -0.00027 160 4PZ -0.00081 -0.00360 -0.00772 -0.00002 0.00048 161 5PX 0.00038 0.00083 -0.00109 -0.00011 0.00008 162 5PY 0.00018 0.00107 0.00066 -0.00005 -0.00025 163 5PZ 0.00013 -0.00077 -0.00162 0.00000 0.00008 164 9 O 1S 0.00002 0.00024 0.00051 0.00000 -0.00003 165 2S 0.00003 -0.00066 -0.00142 0.00000 0.00006 166 3S -0.00030 -0.00107 -0.00224 0.00000 0.00013 167 4PX 0.00393 -0.00818 0.00777 0.00088 0.00002 168 4PY 0.00208 -0.00855 -0.00287 0.00052 0.00013 169 4PZ 0.00137 0.00594 0.01268 0.00003 -0.00029 170 5PX 0.00159 -0.00487 0.00378 0.00047 0.00001 171 5PY 0.00072 -0.00435 -0.00066 0.00028 0.00003 172 5PZ 0.00055 0.00345 0.00734 0.00002 -0.00004 71 72 73 74 75 O O O V V EIGENVALUES -- -0.25078 -0.20394 -0.20358 -0.09998 -0.07970 1 1 Cu 1S 0.00097 -0.00003 -0.00016 0.00097 0.00343 2 2S 0.00850 -0.20668 -0.22869 -0.02049 0.11188 3 3S 0.07103 -0.02516 -0.03429 -0.00018 0.06169 4 4PX -0.00606 -0.02261 0.02393 0.02131 -0.04732 5 4PY 0.00657 -0.00040 0.00291 -0.03144 0.00547 6 4PZ 0.00012 -0.01900 0.01189 -0.03026 -0.03538 7 5PX 0.02609 0.07189 -0.05536 -0.06305 0.15321 8 5PY -0.02493 0.01766 0.00987 0.11376 -0.04181 9 5PZ -0.00687 0.03543 -0.04996 0.09003 0.13918 10 6PX 0.00857 0.00996 -0.00255 -0.02380 0.03119 11 6PY 0.00606 0.02973 0.03078 0.03051 -0.03351 12 6PZ -0.01059 0.00105 -0.00951 0.02505 0.02835 13 7D 0 -0.10278 0.09677 -0.07386 0.06198 0.01411 14 7D+1 -0.17863 0.06924 -0.01458 -0.04294 0.03087 15 7D-1 0.02071 -0.02267 0.08386 -0.02270 -0.01090 16 7D+2 -0.36891 -0.00554 0.07412 0.07534 0.00416 17 7D-2 -0.11318 -0.10999 0.06601 0.01785 -0.01469 18 8D 0 -0.03327 0.03345 -0.02502 0.02042 0.00357 19 8D+1 -0.05760 0.02234 -0.00639 -0.01483 0.00829 20 8D-1 0.00629 -0.00507 0.03182 -0.00723 -0.00428 21 8D+2 -0.11936 -0.00208 0.02517 0.02418 0.00086 22 8D-2 -0.03620 -0.03947 0.02048 0.00586 -0.00338 23 2 Cu 1S -0.00056 -0.00031 0.00020 0.00017 -0.01016 24 2S -0.00553 -0.28058 0.12506 -0.03563 -0.26597 25 3S -0.04170 -0.04443 0.01669 -0.01306 -0.19907 26 4PX -0.00034 0.00328 -0.00456 0.02001 -0.03024 27 4PY -0.00973 -0.01143 -0.02417 -0.02880 -0.02945 28 4PZ 0.00434 0.01200 0.02685 -0.02711 0.01089 29 5PX -0.00267 0.02228 -0.00196 -0.05100 0.16252 30 5PY 0.03565 0.03629 0.06431 0.09583 0.12262 31 5PZ -0.01394 -0.02525 -0.07737 0.09681 -0.01471 32 6PX -0.00828 0.01694 -0.00946 -0.00630 0.08811 33 6PY 0.00204 0.03058 -0.00490 0.02019 0.03494 34 6PZ -0.00271 0.02596 -0.01769 0.00519 0.01915 35 7D 0 0.07800 0.05177 0.06947 -0.03988 0.00405 36 7D+1 -0.00030 0.01092 0.14079 -0.02477 0.00418 37 7D-1 -0.23183 -0.04069 0.00984 -0.06058 0.01925 38 7D+2 0.03466 -0.02469 0.03421 0.05983 0.01028 39 7D-2 -0.07026 -0.08683 -0.10072 -0.03630 -0.01402 40 8D 0 0.02498 0.01817 0.02350 -0.01324 0.00209 41 8D+1 -0.00024 0.00138 0.04908 -0.00811 -0.00083 42 8D-1 -0.07461 -0.01143 0.00222 -0.01852 0.00590 43 8D+2 0.01086 -0.01022 0.01228 0.02024 0.00088 44 8D-2 -0.02284 -0.03220 -0.03331 -0.01229 -0.00507 45 3 Cu 1S -0.00006 0.00006 0.00060 -0.00040 0.01011 46 2S -0.00067 0.03503 0.30584 -0.04997 0.27745 47 3S -0.00488 0.00586 0.05099 -0.01140 0.19782 48 4PX 0.00994 -0.03485 0.00216 0.01791 -0.00234 49 4PY 0.00493 -0.01789 0.00596 -0.02853 -0.02297 50 4PZ 0.00075 -0.00440 -0.00137 -0.02526 0.01805 51 5PX -0.03459 0.09440 -0.01589 -0.05420 -0.00218 52 5PY -0.01662 0.05186 0.00778 0.08189 0.11539 53 5PZ -0.00261 0.00938 -0.02007 0.10182 -0.11842 54 6PX -0.00319 0.00941 0.00378 0.00668 -0.02026 55 6PY -0.00071 0.00423 0.00107 -0.01396 0.06014 56 6PZ -0.00082 -0.00442 -0.04556 -0.00245 -0.06271 57 7D 0 -0.00226 -0.02193 0.06744 -0.08048 -0.02099 58 7D+1 0.10361 -0.14369 0.02526 0.03418 0.00294 59 7D-1 0.04263 -0.06707 -0.04043 -0.03969 -0.00401 60 7D+2 0.01915 -0.09447 -0.00779 -0.01864 0.01689 61 7D-2 -0.00932 0.08086 -0.02780 -0.01864 0.02485 62 8D 0 -0.00078 -0.00744 0.02323 -0.02573 -0.00511 63 8D+1 0.03309 -0.04868 0.01084 0.01103 0.00217 64 8D-1 0.01361 -0.02330 -0.01777 -0.01324 -0.00394 65 8D+2 0.00635 -0.03225 -0.00218 -0.00706 0.00404 66 8D-2 -0.00310 0.02780 -0.00793 -0.00748 0.00624 67 4 Cu 1S 0.00067 0.00028 0.00009 0.00028 -0.00745 68 2S 0.00638 0.30151 0.05860 -0.03303 -0.20324 69 3S 0.04951 0.04637 0.00524 -0.01481 -0.14328 70 4PX -0.00762 -0.00123 0.01804 0.01768 0.04266 71 4PY 0.00578 0.00722 -0.01454 -0.03066 -0.00736 72 4PZ -0.00416 -0.00537 0.03145 -0.02774 0.03030 73 5PX 0.02617 0.02799 -0.04453 -0.06731 -0.18824 74 5PY -0.02514 0.00549 0.04559 0.08953 -0.00682 75 5PZ 0.01249 0.01319 -0.08685 0.09531 -0.09851 76 6PX -0.00429 0.04049 0.00360 -0.01702 -0.08133 77 6PY -0.00954 0.00081 0.00619 0.02232 -0.01304 78 6PZ 0.00104 -0.02236 -0.01064 0.00868 0.00214 79 7D 0 -0.11772 -0.04364 0.02749 -0.02033 -0.00216 80 7D+1 -0.18793 -0.01886 -0.11845 0.06617 -0.02124 81 7D-1 0.15213 0.01849 -0.11360 0.00586 0.00460 82 7D+2 0.13627 0.05209 -0.11224 -0.06940 -0.02222 83 7D-2 -0.01201 0.05337 0.01389 0.03690 0.00468 84 8D 0 -0.03786 -0.01558 0.00928 -0.00696 0.00037 85 8D+1 -0.06058 -0.00491 -0.04013 0.02066 -0.00577 86 8D-1 0.04888 0.00316 -0.03944 0.00282 0.00265 87 8D+2 0.04404 0.01924 -0.03803 -0.02303 -0.00679 88 8D-2 -0.00346 0.02143 0.00517 0.01238 -0.00068 89 5 Cu 1S -0.00101 0.00001 -0.00016 0.00103 0.00088 90 2S -0.00849 0.15061 -0.26919 -0.01904 0.03417 91 3S -0.07365 0.01723 -0.03793 0.00505 0.01842 92 4PX 0.00327 -0.01953 -0.01356 0.01971 0.03797 93 4PY -0.00788 -0.02395 -0.01406 -0.03273 0.04526 94 4PZ -0.00129 0.01552 0.00356 -0.03067 -0.02508 95 5PX -0.01173 0.06527 0.01671 -0.07601 -0.12343 96 5PY 0.03233 0.06341 0.04262 0.10917 -0.15680 97 5PZ 0.01201 -0.02799 -0.03437 0.08842 0.09053 98 6PX 0.00765 0.02388 -0.02764 -0.01709 -0.02478 99 6PY 0.00230 -0.00325 0.02125 0.03197 -0.04179 100 6PZ 0.01326 0.00141 -0.01319 0.02631 0.02204 101 7D 0 0.06608 -0.08356 -0.05807 0.07818 0.01600 102 7D+1 -0.07830 0.06297 -0.03539 0.02460 -0.01515 103 7D-1 -0.10790 0.09909 0.06406 0.02639 -0.02559 104 7D+2 -0.04330 0.10721 0.02543 -0.01448 -0.01289 105 7D-2 0.43181 0.04561 0.07587 0.06856 -0.00365 106 8D 0 0.02141 -0.02883 -0.01965 0.02593 0.00460 107 8D+1 -0.02568 0.02293 -0.01472 0.00829 -0.00367 108 8D-1 -0.03450 0.03207 0.02527 0.00916 -0.00717 109 8D+2 -0.01429 0.03749 0.00725 -0.00455 -0.00355 110 8D-2 0.13958 0.01645 0.02449 0.02195 -0.00104 111 6 Cu 1S 0.00001 0.00000 -0.00037 -0.00446 0.00068 112 2S -0.00001 -0.00029 0.00524 -0.23548 0.01259 113 3S 0.00001 0.00047 0.00723 0.04049 -0.01482 114 4PX -0.00021 -0.04404 0.01451 -0.00936 0.00303 115 4PY -0.00008 -0.02717 -0.02456 0.01436 0.00569 116 4PZ -0.00009 -0.00066 0.04275 0.02196 -0.00438 117 5PX 0.00064 0.12126 -0.03978 0.04878 -0.01100 118 5PY 0.00018 0.07499 0.06726 -0.07545 -0.02693 119 5PZ 0.00030 0.00195 -0.11610 -0.09650 0.01303 120 6PX -0.00090 -0.04471 0.01470 0.03368 0.00676 121 6PY -0.00030 -0.02756 -0.02434 -0.05649 0.02419 122 6PZ -0.00021 -0.00076 0.03456 0.02882 -0.01042 123 7D 0 0.00280 -0.00149 0.08488 -0.03293 -0.04008 124 7D+1 0.01306 -0.05201 -0.01086 0.08477 -0.00226 125 7D-1 0.00499 -0.03330 0.01506 -0.13352 0.05015 126 7D+2 0.00884 0.06425 0.02179 0.02912 0.07118 127 7D-2 -0.00900 -0.03092 0.04287 0.06495 0.05345 128 8D 0 0.00058 -0.00053 0.03149 -0.00603 -0.01004 129 8D+1 0.00289 -0.01894 -0.00510 0.02286 -0.00018 130 8D-1 0.00110 -0.01217 0.00734 -0.03605 0.01188 131 8D+2 0.00209 0.02571 0.00840 0.00946 0.01665 132 8D-2 -0.00211 -0.01244 0.01649 0.02070 0.01300 133 7 Cu 1S 0.00000 -0.00001 0.00027 0.00694 0.00029 134 2S -0.00001 0.00029 -0.00651 0.34028 0.02658 135 3S -0.00030 -0.00003 0.00262 0.14116 -0.01226 136 4PX 0.00106 -0.04056 0.01482 0.01196 -0.00166 137 4PY 0.00038 -0.02506 -0.02491 -0.01866 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-0.00108 24 2S 0.13284 -0.00351 -0.03918 0.05866 0.01666 25 3S 0.10930 0.06865 -0.09324 0.18661 -0.03160 26 4PX 0.01191 0.01596 -0.02924 0.04615 -0.00312 27 4PY -0.04112 -0.00780 -0.01538 -0.00643 -0.02335 28 4PZ 0.04143 -0.02910 -0.02140 0.00155 -0.01662 29 5PX -0.06463 -0.03266 0.11470 -0.14017 -0.00027 30 5PY 0.12906 0.01321 0.05717 0.02225 0.07128 31 5PZ -0.15681 0.09550 0.06950 -0.01818 0.08974 32 6PX -0.06154 -0.08485 0.05231 -0.08380 0.00490 33 6PY 0.05402 0.11510 0.01619 -0.00688 0.11952 34 6PZ -0.01916 0.09451 0.05126 0.01688 0.12662 35 7D 0 0.00657 -0.03796 0.03513 -0.00438 0.06055 36 7D+1 0.01472 -0.01350 -0.03909 -0.00582 -0.01887 37 7D-1 -0.01354 0.01036 -0.04643 0.01923 0.00284 38 7D+2 0.00355 0.02034 -0.01750 0.07251 0.03944 39 7D-2 -0.02422 -0.02709 -0.00651 0.01325 -0.00918 40 8D 0 0.00099 -0.01135 0.00945 -0.00270 0.01539 41 8D+1 0.00443 -0.00525 -0.01190 -0.00277 -0.00347 42 8D-1 -0.00395 0.00281 -0.01180 0.00448 -0.00085 43 8D+2 0.00234 0.00650 -0.00439 0.02266 0.01060 44 8D-2 -0.00661 -0.01009 -0.00244 0.00323 -0.00402 45 3 Cu 1S 0.00154 -0.00018 -0.00584 0.00813 -0.00262 46 2S 0.04550 0.00392 -0.08315 0.06605 0.01894 47 3S 0.02907 -0.00673 -0.10747 0.22862 -0.00986 48 4PX 0.05797 -0.01361 0.00028 0.02638 0.02165 49 4PY 0.02776 -0.00425 0.00729 -0.05263 -0.02638 50 4PZ 0.00929 -0.00112 -0.04536 0.01209 -0.06056 51 5PX -0.20813 0.02919 0.01084 -0.07732 -0.08686 52 5PY -0.09274 0.00870 -0.05025 0.15360 0.11047 53 5PZ -0.04195 0.00159 0.16706 -0.04706 0.25919 54 6PX -0.03212 0.06051 -0.02387 -0.07414 -0.11966 55 6PY -0.00895 0.01348 0.02068 0.14276 0.14651 56 6PZ -0.01426 -0.00283 0.11759 0.01301 0.36781 57 7D 0 0.00140 0.00291 -0.05392 -0.00549 -0.02019 58 7D+1 0.02951 0.01285 0.00155 0.01791 0.01053 59 7D-1 0.01451 0.01411 0.02173 -0.04390 0.00183 60 7D+2 0.00719 -0.03648 0.01017 -0.04760 -0.00653 61 7D-2 -0.00073 0.03049 0.01330 -0.05385 -0.00071 62 8D 0 0.00046 0.00093 -0.01602 -0.00459 -0.00816 63 8D+1 0.00800 0.00301 -0.00054 0.00559 0.00435 64 8D-1 0.00339 0.00363 0.00787 -0.01289 -0.00143 65 8D+2 0.00145 -0.01122 0.00194 -0.01493 -0.00225 66 8D-2 0.00004 0.00943 0.00202 -0.01712 -0.00097 67 4 Cu 1S -0.00883 -0.00338 -0.00471 0.00627 -0.00059 68 2S -0.21972 -0.02498 -0.03512 0.05180 0.01582 69 3S -0.17695 -0.10144 -0.08986 0.16917 -0.03584 70 4PX -0.00367 0.00182 0.03285 -0.02070 0.01496 71 4PY 0.03818 0.01817 0.01693 -0.03706 -0.00358 72 4PZ -0.03426 0.03236 -0.01196 -0.00260 -0.00531 73 5PX -0.02984 -0.00791 -0.12289 0.06208 -0.03319 74 5PY -0.15811 -0.04119 -0.06612 0.11562 0.01139 75 5PZ 0.12920 -0.10094 0.03479 -0.00484 0.04758 76 6PX -0.02556 0.04934 -0.04904 0.05483 -0.06555 77 6PY -0.09574 -0.12920 -0.03949 0.04282 0.02189 78 6PZ 0.01346 -0.10194 0.03515 0.01896 0.06522 79 7D 0 -0.00266 0.03020 0.05352 0.00142 0.06661 80 7D+1 -0.00127 -0.00442 0.04288 -0.00753 -0.01725 81 7D-1 0.01974 -0.03246 -0.00657 0.02688 0.01657 82 7D+2 0.01916 0.02969 -0.00855 -0.00459 -0.02014 83 7D-2 0.00150 -0.01088 -0.02456 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0.15826 -0.03246 -0.03390 -0.01141 163 5PZ 0.01496 0.01401 0.17961 0.24136 -0.20425 164 9 O 1S 0.00007 -0.00011 -0.00287 0.00358 0.01028 165 2S -0.00026 0.00029 0.00740 -0.01224 -0.02651 166 3S -0.00048 0.00060 0.01632 -0.01290 -0.07148 167 4PX -0.10417 -0.33081 0.00179 -0.00203 0.01303 168 4PY -0.06117 -0.19951 0.03756 0.01728 -0.02793 169 4PZ -0.02005 -0.01770 -0.22670 -0.30262 0.14904 170 5PX -0.07530 -0.24444 0.00251 -0.00440 0.00568 171 5PY -0.04414 -0.14753 0.02592 0.01773 -0.01542 172 5PZ -0.01400 -0.01317 -0.16966 -0.22750 0.13886 81 82 83 84 85 V V V V V EIGENVALUES -- -0.01529 -0.00317 -0.00255 0.00984 0.01143 1 1 Cu 1S -0.00264 0.00211 -0.00155 -0.00291 -0.00249 2 2S 0.00097 -0.08916 0.06995 -0.06641 -0.02642 3 3S -0.04470 -0.27420 0.28665 0.28933 -0.07086 4 4PX 0.01360 0.03106 -0.00665 -0.01104 -0.06385 5 4PY -0.04287 0.02708 -0.01394 0.00952 -0.01054 6 4PZ -0.01018 -0.02601 0.03782 0.01752 -0.03291 7 5PX -0.02434 -0.08854 0.10517 0.07421 0.26164 8 5PY 0.18242 -0.13560 0.09592 -0.02187 0.05834 9 5PZ 0.05656 0.17021 -0.14684 -0.12342 0.11697 10 6PX -0.06476 -0.22968 0.19906 0.03278 0.47125 11 6PY 0.29646 -0.26646 0.16855 -0.23002 0.13148 12 6PZ 0.06499 0.35050 -0.31292 -0.04266 0.17831 13 7D 0 0.02308 -0.03628 -0.04196 0.00634 -0.00560 14 7D+1 0.00943 -0.00756 -0.02205 0.02219 -0.01924 15 7D-1 0.02365 0.01616 0.00289 -0.01654 -0.00152 16 7D+2 -0.00351 0.01768 0.01670 0.02104 -0.00982 17 7D-2 0.05299 0.02108 0.02576 0.01395 0.01028 18 8D 0 0.00541 -0.01072 -0.01344 0.00096 0.00105 19 8D+1 0.00058 -0.00503 -0.00573 0.00283 -0.00265 20 8D-1 0.00664 0.00708 0.00103 -0.00146 -0.00254 21 8D+2 0.00132 0.00524 0.00466 0.00238 -0.00331 22 8D-2 0.01458 0.00682 0.01037 0.00118 -0.00021 23 2 Cu 1S -0.00342 -0.00168 -0.00245 -0.00350 0.00670 24 2S 0.00570 0.02168 0.09431 -0.08320 0.06880 25 3S -0.01025 0.14967 0.39782 0.17227 0.25629 26 4PX 0.00013 -0.02197 -0.05395 -0.01503 0.02363 27 4PY -0.04580 -0.01234 0.00719 0.01160 -0.02308 28 4PZ -0.04516 0.01194 -0.00873 0.00677 0.04437 29 5PX 0.01754 0.12295 0.29104 0.11603 -0.14800 30 5PY 0.21180 0.00112 0.00619 -0.04900 0.07792 31 5PZ 0.18572 0.03250 0.02562 -0.03369 -0.19855 32 6PX 0.05277 0.22960 0.57879 -0.07011 -0.39926 33 6PY 0.28127 0.01723 0.02909 -0.17489 0.09624 34 6PZ 0.25924 0.03496 0.08408 -0.13906 -0.40199 35 7D 0 -0.03114 0.01568 -0.00875 0.00309 0.01828 36 7D+1 0.00260 0.06020 -0.00998 0.00398 -0.02085 37 7D-1 -0.02224 -0.00874 0.00486 -0.03479 -0.04839 38 7D+2 -0.00736 0.00273 0.01211 0.00560 -0.03426 39 7D-2 0.00274 -0.03148 0.02846 0.01206 0.00252 40 8D 0 -0.00932 0.00642 -0.00300 0.00043 0.00522 41 8D+1 -0.00086 0.01921 -0.00231 -0.00034 -0.00384 42 8D-1 -0.00720 -0.00179 0.00071 -0.00397 -0.00952 43 8D+2 0.00024 0.00187 0.00276 0.00031 -0.00777 44 8D-2 0.00043 -0.01086 0.01026 0.00154 -0.00222 45 3 Cu 1S 0.00037 -0.00379 0.00024 -0.00297 -0.00872 46 2S -0.00078 0.08080 -0.01003 -0.08177 -0.09595 47 3S 0.00003 0.38481 -0.04239 0.14199 -0.33002 48 4PX 0.00203 -0.01701 0.02095 -0.00773 -0.00602 49 4PY 0.00490 0.04381 0.00541 0.01445 0.02396 50 4PZ 0.00678 -0.03153 0.00485 0.00603 -0.03021 51 5PX 0.03444 0.09918 -0.00733 0.04915 0.04204 52 5PY 0.00298 -0.23047 0.02558 -0.09659 -0.14364 53 5PZ -0.02586 0.19648 -0.01487 -0.01446 0.18107 54 6PX 0.01341 0.18676 -0.02438 0.00266 0.10450 55 6PY -0.00751 -0.44217 0.04211 0.04413 -0.34397 56 6PZ -0.03857 0.39230 -0.03592 -0.24069 0.45569 57 7D 0 0.01420 0.01551 0.00607 -0.01803 0.04275 58 7D+1 0.05799 0.01472 0.03593 0.01563 -0.00336 59 7D-1 0.03728 -0.02255 0.01329 -0.01570 -0.02578 60 7D+2 -0.03733 0.00625 0.04936 0.01446 -0.03774 61 7D-2 0.01560 0.00472 -0.03794 0.02626 -0.05084 62 8D 0 0.00420 0.00541 0.00229 -0.00268 0.00961 63 8D+1 0.01637 0.00458 0.01334 0.00143 0.00028 64 8D-1 0.01024 -0.00675 0.00545 -0.00081 -0.00720 65 8D+2 -0.00717 0.00194 0.01430 0.00202 -0.00791 66 8D-2 0.00231 0.00145 -0.01162 0.00345 -0.01044 67 4 Cu 1S 0.00372 -0.00105 0.00255 -0.00339 0.00709 68 2S -0.00541 0.00458 -0.10058 -0.08025 0.07353 69 3S 0.01599 0.08252 -0.41821 0.19390 0.27482 70 4PX -0.04930 0.01344 -0.02870 -0.00348 -0.00549 71 4PY 0.02334 0.00121 -0.05029 0.01908 -0.03591 72 4PZ 0.04134 0.01735 -0.00382 0.00770 0.03802 73 5PX 0.22704 -0.03520 0.17882 -0.01460 0.06908 74 5PY -0.08993 -0.06076 0.25016 -0.12448 0.18247 75 5PZ -0.17148 0.01087 0.02765 -0.04750 -0.16204 76 6PX 0.32920 -0.06696 0.37521 0.21422 0.24425 77 6PY -0.10193 -0.09517 0.49557 -0.04414 0.42168 78 6PZ -0.23507 -0.00965 0.03065 -0.10813 -0.31095 79 7D 0 0.01340 -0.00194 0.00693 0.00804 0.03279 80 7D+1 -0.02287 -0.03638 -0.00311 0.02715 0.04405 81 7D-1 0.01078 -0.05450 -0.00542 -0.02239 -0.02290 82 7D+2 0.00351 -0.03336 -0.01469 0.00179 0.00401 83 7D-2 -0.00245 0.00065 -0.01705 0.01115 -0.03450 84 8D 0 0.00405 0.00048 0.00204 0.00123 0.00778 85 8D+1 -0.00796 -0.01308 -0.00139 0.00356 0.00763 86 8D-1 0.00208 -0.01666 -0.00022 -0.00200 -0.00496 87 8D+2 0.00279 -0.01171 -0.00610 0.00050 -0.00118 88 8D-2 -0.00200 0.00091 -0.00533 0.00090 -0.00866 89 5 Cu 1S 0.00200 0.00246 0.00117 -0.00303 -0.00310 90 2S -0.00042 -0.10031 -0.05446 -0.06645 -0.03307 91 3S 0.03868 -0.31580 -0.22213 0.29285 -0.09637 92 4PX -0.02135 -0.03605 -0.00292 -0.00498 0.05038 93 4PY 0.02692 -0.00544 0.00882 0.01230 0.04767 94 4PZ 0.00568 -0.04012 -0.03247 0.01919 -0.01674 95 5PX 0.11359 0.15007 0.08641 -0.00155 -0.21918 96 5PY -0.08265 -0.02046 0.01525 -0.06010 -0.18424 97 5PZ -0.03530 0.22177 0.13025 -0.13678 0.04617 98 6PX 0.16904 0.31106 0.13859 0.16756 -0.41727 99 6PY -0.16254 0.00707 0.02671 -0.14293 -0.30844 100 6PZ -0.03824 0.46750 0.27774 -0.03694 0.04060 101 7D 0 -0.01608 -0.02715 0.03644 0.00266 0.00296 102 7D+1 0.02447 0.00282 -0.02766 0.00449 0.01774 103 7D-1 -0.00267 0.01852 -0.03422 -0.02295 0.01456 104 7D+2 -0.06335 0.01065 -0.01739 0.00254 0.01329 105 7D-2 -0.01528 0.01616 -0.02232 0.02831 -0.01326 106 8D 0 -0.00362 -0.00721 0.01190 0.00032 0.00253 107 8D+1 0.00539 0.00043 -0.00839 0.00004 0.00370 108 8D-1 -0.00301 0.00892 -0.01009 -0.00253 0.00017 109 8D+2 -0.01667 0.00365 -0.00791 0.00011 0.00081 110 8D-2 -0.00572 0.00419 -0.00753 0.00303 -0.00432 111 6 Cu 1S 0.00000 0.00296 0.00003 0.00264 0.00020 112 2S -0.00004 0.05225 0.00059 0.05958 0.00319 113 3S 0.00007 0.16868 -0.00021 -0.31624 -0.00234 114 4PX -0.01400 0.00795 0.04318 0.00333 0.00006 115 4PY -0.00844 -0.01595 0.02606 -0.00531 -0.00009 116 4PZ -0.00037 0.04763 0.00143 -0.00494 -0.00039 117 5PX 0.05249 0.00791 -0.04746 -0.02258 0.00035 118 5PY 0.03159 -0.00802 -0.02945 0.03694 -0.00346 119 5PZ 0.00117 -0.08572 -0.00194 0.00290 0.00432 120 6PX -0.16059 0.00607 0.24366 0.37091 0.00979 121 6PY -0.09722 -0.02584 0.14715 -0.58381 -0.01633 122 6PZ -0.00420 0.25427 0.00781 -0.60097 -0.01439 123 7D 0 -0.00061 0.07845 0.00284 -0.01122 -0.01944 124 7D+1 -0.01079 -0.02322 0.04834 -0.03506 -0.00454 125 7D-1 -0.00788 0.03347 0.03245 0.05503 0.01836 126 7D+2 0.03459 0.02295 -0.08465 -0.02509 0.01290 127 7D-2 -0.01728 0.04086 0.04261 -0.05157 0.01646 128 8D 0 0.00000 0.02229 0.00079 -0.00258 -0.00800 129 8D+1 0.00104 -0.00739 0.01338 -0.00668 -0.00159 130 8D-1 0.00054 0.01079 0.00895 0.01033 0.00711 131 8D+2 0.00124 0.00575 -0.02228 -0.00512 0.00520 132 8D-2 -0.00059 0.01006 0.01117 -0.01036 0.00680 133 7 Cu 1S -0.00001 0.00203 0.00003 0.00808 0.00025 134 2S -0.00016 0.00252 0.00006 0.12229 0.00287 135 3S 0.00004 -0.04644 0.00105 0.98664 0.02860 136 4PX 0.06379 0.01600 0.01992 0.01879 0.00053 137 4PY 0.03885 -0.02726 0.01179 -0.02981 -0.00075 138 4PZ 0.00171 0.01662 0.00062 -0.02312 -0.00106 139 5PX -0.18044 -0.03170 0.02710 -0.08814 -0.00306 140 5PY -0.11000 0.04958 0.01703 0.14022 0.00511 141 5PZ -0.00493 0.04459 0.00116 0.09267 0.00230 142 6PX 0.02697 -0.07763 -0.01576 -0.39254 -0.01394 143 6PY 0.01565 0.12477 -0.00702 0.62322 0.02126 144 6PZ 0.00139 0.04195 -0.00058 0.49173 0.01879 145 7D 0 -0.00018 -0.06592 -0.00249 0.00382 -0.02116 146 7D+1 -0.00566 0.01547 -0.04084 0.02461 -0.00306 147 7D-1 -0.00353 -0.02145 -0.02678 -0.04004 0.01842 148 7D+2 0.00403 -0.01731 0.05889 0.01502 0.01693 149 7D-2 -0.00194 -0.03099 -0.02939 0.03231 0.02296 150 8D 0 -0.00005 -0.02255 -0.00084 0.00146 -0.00924 151 8D+1 -0.00153 0.00522 -0.01382 0.00663 -0.00144 152 8D-1 -0.00092 -0.00724 -0.00907 -0.01094 0.00813 153 8D+2 0.00090 -0.00613 0.02027 0.00397 0.00713 154 8D-2 -0.00041 -0.01101 -0.01016 0.00870 0.00963 155 8 C 1S -0.00001 0.00456 0.00004 0.03275 0.00107 156 2S 0.00006 -0.00410 -0.00005 -0.10009 -0.00258 157 3S 0.00002 -0.05846 -0.00068 -0.22568 -0.01149 158 4PX -0.26622 0.00772 0.18682 0.05206 0.00118 159 4PY -0.16164 -0.02334 0.11319 -0.08619 -0.00282 160 4PZ -0.00707 0.16919 0.00616 -0.00071 0.00006 161 5PX -0.16438 -0.00113 0.12132 -0.00879 -0.00068 162 5PY -0.09982 -0.00535 0.07338 0.01213 0.00272 163 5PZ -0.00435 0.11624 0.00392 0.04232 -0.00369 164 9 O 1S -0.00002 -0.00456 0.00000 0.01489 0.00046 165 2S 0.00006 0.01122 0.00001 -0.04353 -0.00181 166 3S 0.00011 0.03693 0.00004 -0.06490 0.00017 167 4PX 0.13471 -0.01147 -0.11103 -0.02440 0.00007 168 4PY 0.08182 0.02529 -0.06723 0.04054 0.00241 169 4PZ 0.00354 -0.10343 -0.00369 -0.00150 -0.00297 170 5PX 0.11895 -0.00609 -0.08837 -0.02869 -0.00132 171 5PY 0.07221 0.01521 -0.05348 0.04769 0.00244 172 5PZ 0.00311 -0.08311 -0.00288 -0.00402 0.00065 86 87 88 89 90 V V V V V EIGENVALUES -- 0.01149 0.02329 0.03422 0.04218 0.04231 1 1 Cu 1S -0.00838 -0.00045 0.00090 0.00022 -0.00026 2 2S -0.09058 0.00271 -0.06140 0.07030 -0.17022 3 3S -0.31974 0.19203 -0.56172 0.90329 -2.24876 4 4PX 0.00338 -0.01221 -0.00460 -0.01408 -0.00846 5 4PY -0.02621 0.01736 -0.02648 -0.00010 -0.00418 6 4PZ 0.03393 0.01400 0.00936 -0.01165 -0.00110 7 5PX 0.01382 0.02552 -0.01047 0.03801 -0.02873 8 5PY 0.15914 -0.00234 0.04782 0.04063 -0.07954 9 5PZ -0.17802 -0.04735 0.01472 -0.00796 0.07625 10 6PX 0.09322 0.08140 -0.38080 -0.23702 -0.51449 11 6PY 0.40487 -0.11664 -0.45935 0.34925 -0.86163 12 6PZ -0.40049 -0.02077 0.56431 -0.48855 0.49734 13 7D 0 0.00374 -0.02713 -0.00246 0.02023 0.01081 14 7D+1 -0.05877 0.02615 0.02890 0.01784 -0.01080 15 7D-1 -0.02213 0.00289 0.03730 -0.02200 0.00741 16 7D+2 -0.04740 -0.03543 0.02439 -0.00802 -0.01286 17 7D-2 0.00477 -0.00132 -0.02192 -0.02323 -0.02137 18 8D 0 0.00000 -0.00932 0.00002 0.00605 0.00320 19 8D+1 -0.01260 0.00790 0.01090 0.00629 -0.00556 20 8D-1 -0.00590 -0.00126 0.01248 -0.00860 0.00789 21 8D+2 -0.00996 -0.01282 0.01077 -0.00203 -0.00505 22 8D-2 0.00296 -0.00017 -0.00679 -0.00484 -0.01023 23 2 Cu 1S 0.00533 -0.00174 0.00101 -0.00034 0.00016 24 2S 0.06015 -0.03971 -0.05584 -0.15284 0.09575 25 3S 0.22802 -0.17849 -0.49477 -2.00543 1.27358 26 4PX 0.02538 -0.00906 -0.01921 -0.00613 0.00156 27 4PY 0.04625 0.01292 -0.01411 -0.00685 -0.01123 28 4PZ -0.03413 0.00614 -0.01434 0.00649 0.01368 29 5PX -0.14250 0.01465 0.00517 -0.08306 0.06126 30 5PY -0.19659 0.00680 0.03631 -0.01864 0.03784 31 5PZ 0.12084 0.00947 0.03669 -0.04838 -0.00068 32 6PX -0.34589 -0.21966 -0.75159 -0.85783 0.50476 33 6PY -0.38368 0.05947 -0.13090 -0.55489 -0.04316 34 6PZ 0.17190 0.10456 -0.23218 -0.21836 0.57306 35 7D 0 0.02191 0.02764 0.01936 0.00849 0.01884 36 7D+1 -0.00592 0.02029 -0.02798 0.00600 0.02927 37 7D-1 -0.03863 0.00994 -0.01659 0.01885 -0.01340 38 7D+2 -0.02446 -0.03151 -0.03694 0.00275 0.00474 39 7D-2 -0.00892 0.03803 -0.02117 -0.02565 -0.01584 40 8D 0 0.00340 0.00709 0.00701 0.00286 0.00484 41 8D+1 -0.00414 0.00654 -0.00951 -0.00125 0.01046 42 8D-1 -0.00762 0.00512 -0.00857 0.00948 -0.00643 43 8D+2 -0.00623 -0.00991 -0.01245 -0.00179 0.00304 44 8D-2 -0.00030 0.01188 -0.00707 -0.01046 -0.00279 45 3 Cu 1S -0.00036 -0.00224 0.00106 0.00042 0.00003 46 2S -0.00412 -0.06352 -0.04981 0.18250 0.01154 47 3S -0.00981 -0.40856 -0.41486 2.39856 0.15324 48 4PX -0.06541 -0.00579 -0.00096 0.00113 0.01791 49 4PY -0.03336 0.00958 0.00786 -0.00557 0.00921 50 4PZ -0.00884 0.00379 -0.02621 0.00405 0.00252 51 5PX 0.26499 -0.01389 -0.01258 0.02098 -0.03163 52 5PY 0.13265 0.01918 0.01265 -0.05661 -0.02206 53 5PZ 0.03827 0.02647 0.05144 0.09665 0.00195 54 6PX 0.46698 -0.17377 -0.18735 0.10777 0.46996 55 6PY 0.23146 0.33668 0.47965 -0.52623 0.21214 56 6PZ 0.07043 -0.00797 -0.57139 1.08991 0.12625 57 7D 0 0.00348 0.04256 -0.02856 0.00019 0.00691 58 7D+1 0.01001 -0.00689 -0.01300 0.00757 0.03333 59 7D-1 0.00297 0.00766 0.04111 -0.01421 0.01362 60 7D+2 0.00595 0.02779 0.01658 0.01060 0.01929 61 7D-2 -0.00780 0.04055 0.01618 0.02117 -0.01597 62 8D 0 0.00018 0.01424 -0.01128 -0.00024 0.00192 63 8D+1 -0.00090 -0.00306 -0.00326 0.00588 0.00968 64 8D-1 -0.00071 0.00295 0.01296 -0.01026 0.00339 65 8D+2 -0.00074 0.00740 0.00676 0.00389 0.00570 66 8D-2 0.00015 0.01050 0.00743 0.00869 -0.00452 67 4 Cu 1S -0.00490 -0.00151 0.00100 -0.00032 -0.00017 68 2S -0.05660 -0.03188 -0.05744 -0.14025 -0.11343 69 3S -0.20658 -0.10665 -0.51413 -1.83786 -1.50631 70 4PX 0.04508 -0.00801 0.02478 0.00852 -0.00481 71 4PY -0.01111 0.01501 0.00907 -0.00071 0.00880 72 4PZ 0.04572 0.00708 -0.00922 0.00967 -0.01314 73 5PX -0.21219 -0.01325 -0.03852 0.06098 0.07155 74 5PY 0.01809 -0.01639 0.01330 0.05867 0.03681 75 5PZ -0.17665 0.00131 0.03131 -0.03092 0.01280 76 6PX -0.44926 0.05630 0.55598 0.90647 0.44785 77 6PY -0.01765 0.16011 0.57734 0.35469 0.55094 78 6PZ -0.29208 0.12170 -0.07096 0.06119 -0.45770 79 7D 0 -0.02536 0.01813 0.02817 0.00374 -0.01007 80 7D+1 -0.02061 -0.02030 0.01603 -0.02689 0.00937 81 7D-1 0.02321 -0.02030 0.00206 0.00150 0.03255 82 7D+2 0.00742 0.04788 -0.00926 -0.02200 0.01598 83 7D-2 0.02276 -0.00974 -0.04598 -0.00491 -0.00643 84 8D 0 -0.00497 0.00373 0.01046 0.00145 -0.00220 85 8D+1 -0.00628 -0.00745 0.00766 -0.01001 0.00085 86 8D-1 0.00243 -0.00531 -0.00090 0.00422 0.01253 87 8D+2 -0.00043 0.01563 -0.00382 -0.00747 0.00386 88 8D-2 0.00571 -0.00302 -0.01542 -0.00523 -0.00488 89 5 Cu 1S 0.00812 -0.00038 0.00089 0.00016 0.00028 90 2S 0.08687 0.00605 -0.06128 0.04821 0.17841 91 3S 0.31947 0.22858 -0.56106 0.61312 2.34833 92 4PX -0.00996 -0.01091 0.02251 0.01083 -0.00679 93 4PY 0.02491 0.01867 -0.01217 0.01318 -0.00296 94 4PZ -0.03615 0.01505 0.01251 -0.00845 -0.00189 95 5PX 0.08963 -0.00523 -0.03555 -0.04355 -0.07443 96 5PY -0.11206 -0.01976 0.03423 -0.01152 0.02825 97 5PZ 0.19342 -0.05650 0.01167 -0.00875 -0.08930 98 6PX 0.28134 0.07498 0.47032 0.04664 -0.89261 99 6PY -0.22023 -0.15480 0.00019 0.41088 0.16585 100 6PZ 0.45316 -0.06237 0.67245 -0.38336 -0.72682 101 7D 0 -0.02465 -0.03451 -0.01775 0.01753 -0.00922 102 7D+1 -0.04423 -0.00683 -0.04688 -0.00384 0.00795 103 7D-1 -0.02250 -0.01960 0.00407 -0.02941 -0.01256 104 7D+2 -0.01451 0.01113 -0.02035 -0.02345 0.01061 105 7D-2 0.05229 -0.02898 0.01938 -0.01320 0.01947 106 8D 0 -0.00465 -0.01127 -0.00538 0.00529 -0.00247 107 8D+1 -0.01106 0.00010 -0.01641 -0.00014 0.00667 108 8D-1 -0.00447 -0.00758 0.00083 -0.01004 -0.00890 109 8D+2 -0.00471 0.00419 -0.00727 -0.00588 0.00530 110 8D-2 0.01013 -0.01045 0.00935 -0.00302 0.00900 111 6 Cu 1S 0.00006 0.00428 -0.00008 -0.00006 0.00000 112 2S 0.00131 0.21156 0.08715 0.00098 0.00024 113 3S 0.00021 1.95374 2.11826 0.00599 0.00127 114 4PX 0.00048 0.00714 0.01145 0.00031 0.00037 115 4PY 0.00022 -0.01178 -0.01811 -0.00077 0.00000 116 4PZ 0.00004 -0.00118 -0.01776 -0.00014 0.00000 117 5PX -0.00210 -0.06631 -0.10239 -0.00073 0.00019 118 5PY -0.00050 0.10965 0.16119 0.00188 -0.00016 119 5PZ -0.00030 -0.01346 0.15632 0.00100 0.00075 120 6PX 0.00027 -0.61617 0.08771 0.01320 -0.07310 121 6PY -0.00386 1.00580 -0.14451 0.02229 -0.03786 122 6PZ -0.00643 0.19423 0.08797 -0.06170 -0.02061 123 7D 0 0.00428 -0.03405 0.00445 -0.02348 -0.00822 124 7D+1 0.02442 -0.01124 0.02701 -0.00067 -0.03247 125 7D-1 0.01235 0.01853 -0.04304 0.02100 -0.01287 126 7D+2 0.01331 -0.02401 0.01772 0.01679 -0.01655 127 7D-2 -0.01239 -0.04711 0.03673 0.01883 0.01758 128 8D 0 0.00175 -0.00831 0.00060 -0.00909 -0.00306 129 8D+1 0.01003 -0.01000 0.00736 -0.00044 -0.01246 130 8D-1 0.00487 0.01588 -0.01175 0.00864 -0.00484 131 8D+2 0.00579 -0.00962 0.00461 0.00706 -0.00673 132 8D-2 -0.00516 -0.01950 0.00951 0.00782 0.00704 133 7 Cu 1S 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-0.01611 59 7D-1 0.01656 0.01484 -0.02086 0.03292 -0.01214 60 7D+2 0.01194 -0.03099 -0.00093 -0.00894 -0.00382 61 7D-2 0.01378 0.01794 0.00571 -0.01988 0.00730 62 8D 0 0.00676 0.00071 -0.00646 0.00317 -0.00060 63 8D+1 -0.00312 0.00138 0.00426 -0.00155 -0.00110 64 8D-1 0.00363 0.00154 -0.00455 0.00104 -0.00099 65 8D+2 0.00126 -0.00390 0.00101 -0.00038 0.00196 66 8D-2 0.00103 0.00238 0.00285 -0.00117 -0.00107 67 4 Cu 1S -0.00006 0.00003 -0.00159 -0.00005 0.00205 68 2S 0.01863 0.00236 -0.03952 0.01630 -0.06724 69 3S 0.34851 0.08800 -0.75644 0.28102 -1.60579 70 4PX -0.01158 -0.00611 -0.01115 -0.01148 0.03790 71 4PY 0.01925 0.01463 0.00240 0.00187 0.02132 72 4PZ 0.01533 0.01036 0.00817 -0.00109 -0.01433 73 5PX 0.03760 0.02632 0.09489 0.07815 -0.15024 74 5PY -0.12574 -0.09772 0.02454 -0.02853 -0.05899 75 5PZ -0.08008 -0.04709 -0.05929 0.06887 0.08783 76 6PX 0.58326 0.51407 0.63801 -0.35632 0.26092 77 6PY -1.18486 -0.86905 -0.50338 0.33721 -0.17774 78 6PZ -1.02268 -0.71273 -0.49133 -0.51626 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0.01942 0.00433 -0.14466 -0.08542 0.07643 119 5PZ 0.03086 0.00735 -0.20542 0.17850 0.00326 120 6PX 0.16469 0.11768 -1.19076 0.19657 1.41930 121 6PY -0.31297 -0.03366 1.90680 -0.39286 0.85736 122 6PZ -0.04288 -0.01763 1.15069 1.63515 0.03693 123 7D 0 0.03060 0.00729 -0.00186 -0.01509 -0.00037 124 7D+1 0.00318 0.03801 0.00531 0.00349 -0.00923 125 7D-1 -0.02587 0.01715 -0.00814 -0.00527 -0.00633 126 7D+2 -0.02213 0.02344 -0.00362 -0.00669 0.02244 127 7D-2 -0.02826 -0.02072 -0.00716 -0.01255 -0.01134 128 8D 0 0.00469 0.00109 -0.00147 -0.00350 -0.00005 129 8D+1 0.00093 0.00539 -0.00467 -0.00144 -0.00127 130 8D-1 -0.00446 0.00219 0.00747 0.00230 -0.00089 131 8D+2 -0.00258 0.00297 -0.00375 -0.00285 0.00308 132 8D-2 -0.00298 -0.00236 -0.00777 -0.00565 -0.00154 133 7 Cu 1S -0.00026 -0.00007 0.00231 0.00182 -0.00001 134 2S -0.03039 -0.00831 0.19448 0.00091 -0.00019 135 3S -0.31547 -0.08588 2.01741 -0.00469 -0.00142 136 4PX -0.00342 -0.00340 0.02042 -0.01413 -0.04508 137 4PY 0.00674 0.00032 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3S -0.00588 -0.00139 0.05569 0.01433 -0.00044 158 4PX 0.00326 -0.00029 -0.02981 -0.01246 -0.16879 159 4PY -0.00529 -0.00203 0.05020 0.02839 -0.10268 160 4PZ 0.00076 -0.00049 -0.03454 -0.18177 -0.00446 161 5PX -0.00603 0.00267 0.06889 0.00490 -0.16194 162 5PY 0.00892 0.00480 -0.10901 0.00100 -0.09827 163 5PZ 0.01043 0.00267 -0.09332 -0.20210 -0.00411 164 9 O 1S 0.00228 0.00068 -0.02712 0.00967 0.00003 165 2S -0.00646 -0.00195 0.08289 -0.02728 -0.00009 166 3S -0.01175 -0.00356 0.10922 -0.05595 -0.00016 167 4PX -0.00235 0.02152 0.01200 0.00310 0.01046 168 4PY -0.00397 0.01245 -0.01810 -0.00582 0.00642 169 4PZ 0.02149 0.00626 -0.01785 0.01231 0.00033 170 5PX -0.00320 0.00507 0.02874 0.00231 0.05451 171 5PY 0.00348 0.00448 -0.04753 -0.00669 0.03329 172 5PZ 0.00454 0.00172 0.01077 0.06162 0.00140 96 97 98 99 100 V V V V V EIGENVALUES -- 0.06512 0.06527 0.07256 0.07304 0.07977 1 1 Cu 1S -0.00082 0.00102 0.00095 -0.00110 0.00125 2 2S 0.01055 0.00149 -0.01994 0.02256 0.03766 3 3S 0.34455 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0.00162 0.00075 0.00176 24 2S 0.01938 0.01260 -0.02424 -0.01070 0.05094 25 3S 0.54000 0.12895 -0.99128 -0.42175 1.23168 26 4PX 0.04132 0.01039 -0.05118 -0.02572 -0.02731 27 4PY -0.03331 -0.01016 -0.01062 -0.02540 -0.00899 28 4PZ -0.02225 -0.01306 -0.03051 0.00894 -0.00919 29 5PX -0.22122 -0.07619 0.23063 0.12552 0.14069 30 5PY 0.24192 0.07320 0.03408 0.16646 0.04403 31 5PZ 0.15982 0.11373 0.16568 -0.09170 0.05068 32 6PX 1.10410 0.50078 0.18050 0.30573 -1.67040 33 6PY -1.53386 -0.77183 -1.26138 1.52537 0.06273 34 6PZ -1.26623 -0.71038 0.36055 -1.86856 -2.14400 35 7D 0 -0.02798 0.01892 -0.00802 0.00212 0.00048 36 7D+1 -0.01515 -0.03171 -0.00468 0.00459 -0.02715 37 7D-1 -0.01440 0.00100 0.01264 0.00821 -0.02030 38 7D+2 0.01770 0.02947 0.00516 0.00347 -0.02147 39 7D-2 -0.03676 -0.00549 -0.00342 -0.00709 0.01119 40 8D 0 -0.00706 0.00689 -0.00082 0.00238 0.00033 41 8D+1 -0.00167 -0.00575 -0.00252 0.00197 -0.00396 42 8D-1 -0.00399 0.00028 0.00013 0.00065 -0.00294 43 8D+2 0.00357 0.00679 -0.00139 -0.00040 -0.00368 44 8D-2 -0.00623 0.00071 0.00015 -0.00354 0.00188 45 3 Cu 1S 0.00010 0.00004 -0.00021 0.00202 -0.00016 46 2S -0.00260 0.02414 0.00257 -0.02510 -0.00475 47 3S -0.06693 0.41833 0.11209 -1.07292 -0.11762 48 4PX -0.00818 0.02535 0.02541 -0.00963 0.00169 49 4PY 0.00273 -0.04318 0.00912 0.03661 -0.00109 50 4PZ 0.00098 -0.02297 0.00877 -0.05196 0.00240 51 5PX 0.07844 -0.17065 -0.18154 0.03518 -0.02341 52 5PY -0.00133 0.28618 -0.07702 -0.17023 -0.00189 53 5PZ -0.00895 0.19430 -0.04900 0.24044 -0.01436 54 6PX -0.20196 1.17395 -2.27815 -0.01436 3.21439 55 6PY 0.13980 -1.88552 -1.12756 -0.53235 1.59727 56 6PZ 0.12751 -1.54112 -0.20995 -0.30262 0.57635 57 7D 0 0.00783 -0.04707 0.00166 0.00701 0.01137 58 7D+1 0.01282 0.00786 0.01006 -0.00423 0.04845 59 7D-1 0.01239 0.00067 0.00435 0.00286 0.01957 60 7D+2 -0.03315 -0.02270 0.00397 -0.00955 0.02773 61 7D-2 0.02410 -0.02578 -0.00184 -0.01593 -0.02823 62 8D 0 0.00205 -0.00767 0.00093 -0.00034 0.00169 63 8D+1 0.00496 0.00241 0.00420 -0.00095 0.00737 64 8D-1 0.00418 -0.00109 0.00167 0.00274 0.00295 65 8D+2 -0.00816 -0.00368 0.00191 0.00030 0.00424 66 8D-2 0.00534 -0.00328 -0.00189 -0.00067 -0.00432 67 4 Cu 1S 0.00118 0.00040 -0.00169 0.00035 -0.00186 68 2S -0.01954 0.00992 0.02666 -0.00505 -0.05424 69 3S -0.55880 0.05404 1.07034 -0.18009 -1.31116 70 4PX -0.00875 0.00198 -0.04838 0.02360 -0.02517 71 4PY 0.05301 -0.00370 -0.03920 -0.00305 -0.01904 72 4PZ 0.02893 -0.00796 0.01571 0.01939 0.00316 73 5PX 0.10521 -0.01231 0.21945 -0.14633 0.12922 74 5PY -0.31425 0.03645 0.18158 0.04182 0.09918 75 5PZ -0.19606 0.07898 -0.08717 -0.14847 -0.01722 76 6PX -0.93480 0.28945 -0.65212 -1.20319 -1.64054 77 6PY 1.73633 -0.43193 0.72631 0.95313 -1.43144 78 6PZ 1.38316 -0.42438 -0.00100 -2.11676 1.35904 79 7D 0 0.01389 0.03103 0.00769 0.00093 -0.01551 80 7D+1 -0.02223 0.00396 0.00772 -0.00859 -0.02633 81 7D-1 -0.01782 0.02561 -0.01310 -0.00135 0.00177 82 7D+2 0.04462 -0.00704 0.00444 -0.00529 -0.00637 83 7D-2 -0.00404 0.01809 -0.00255 0.00080 0.02163 84 8D 0 0.00387 0.00927 -0.00033 0.00139 -0.00254 85 8D+1 -0.00515 -0.00022 -0.00081 -0.00309 -0.00376 86 8D-1 -0.00215 0.00462 -0.00144 -0.00196 0.00049 87 8D+2 0.00831 -0.00007 0.00014 -0.00295 -0.00134 88 8D-2 -0.00186 0.00522 0.00180 -0.00080 0.00362 89 5 Cu 1S 0.00059 0.00107 -0.00069 -0.00127 -0.00098 90 2S -0.00777 0.00099 0.01477 0.02635 -0.02946 91 3S -0.25291 -0.26852 0.54935 1.05827 -0.70775 92 4PX -0.00785 -0.01098 -0.00882 -0.04631 -0.01133 93 4PY 0.01320 0.03321 0.02371 0.00070 0.00195 94 4PZ 0.02664 0.03935 -0.03142 -0.03403 -0.01125 95 5PX 0.08156 0.08193 0.00383 0.23298 0.04996 96 5PY -0.07233 -0.20997 -0.15523 0.02374 -0.01663 97 5PZ -0.16257 -0.20999 0.16963 0.13903 0.06341 98 6PX -0.52682 -0.85091 -1.43194 0.60526 0.78400 99 6PY 0.75180 1.40223 -1.22046 1.25657 2.48020 100 6PZ 0.79225 1.25775 1.02811 -0.23172 -1.83433 101 7D 0 -0.03893 -0.02425 -0.00001 -0.00787 0.03246 102 7D+1 0.02044 -0.01650 -0.00242 -0.00428 0.00401 103 7D-1 -0.00343 -0.02091 -0.01132 -0.00799 -0.02806 104 7D+2 -0.01697 0.02062 -0.00705 0.00209 -0.02471 105 7D-2 -0.00587 -0.02866 0.00165 0.01220 -0.03295 106 8D 0 -0.00855 -0.00575 0.00194 -0.00117 0.00529 107 8D+1 0.00489 -0.00485 0.00049 0.00109 0.00081 108 8D-1 -0.00057 -0.00525 -0.00309 0.00092 -0.00410 109 8D+2 -0.00639 0.00584 -0.00256 0.00192 -0.00374 110 8D-2 -0.00152 -0.00621 -0.00189 0.00055 -0.00508 111 6 Cu 1S -0.00001 -0.00301 0.00003 -0.00140 -0.00001 112 2S -0.00033 -0.02895 0.00021 0.00052 0.00009 113 3S -0.00448 0.13115 0.00085 -0.18668 0.00179 114 4PX -0.05815 -0.01155 0.03355 0.01181 0.02832 115 4PY -0.03533 0.02163 0.02060 -0.02022 0.01688 116 4PZ -0.00155 -0.05769 0.00067 0.03188 0.00112 117 5PX 0.31453 0.06907 -0.27601 -0.12084 -0.21512 118 5PY 0.19128 -0.12776 -0.16963 0.20431 -0.12804 119 5PZ 0.00834 0.30337 -0.00536 -0.23296 -0.00863 120 6PX 2.79810 0.75368 2.98590 1.00928 -0.05919 121 6PY 1.70213 -1.36699 1.83748 -1.72300 -0.03815 122 6PZ 0.07717 2.93128 0.05912 2.47092 0.00088 123 7D 0 -0.00061 -0.01877 0.00089 0.04298 0.00135 124 7D+1 -0.01296 0.00789 0.02528 -0.00772 0.01916 125 7D-1 -0.00882 -0.01214 0.01631 0.01103 0.01259 126 7D+2 0.02683 -0.00603 -0.03427 0.01164 -0.02671 127 7D-2 -0.01346 -0.01090 0.01684 0.02253 0.01356 128 8D 0 -0.00020 -0.00622 0.00013 0.00660 0.00025 129 8D+1 -0.00374 0.00163 0.00353 0.00019 0.00354 130 8D-1 -0.00253 -0.00255 0.00230 -0.00040 0.00236 131 8D+2 0.00740 -0.00238 -0.00560 0.00292 -0.00583 132 8D-2 -0.00366 -0.00438 0.00277 0.00573 0.00300 133 7 Cu 1S 0.00000 0.00131 -0.00001 -0.00008 0.00000 134 2S -0.00008 -0.01917 0.00014 -0.00947 -0.00016 135 3S -0.00097 -0.20425 0.00289 -0.09477 -0.00169 136 4PX 0.03142 0.00957 0.04027 0.01244 0.02834 137 4PY 0.01914 -0.01743 0.02464 -0.02134 0.01688 138 4PZ 0.00086 0.03872 0.00075 0.03592 0.00116 139 5PX -0.10413 -0.04014 -0.27570 -0.09407 -0.18485 140 5PY -0.06350 0.07231 -0.16890 0.16051 -0.11014 141 5PZ -0.00278 -0.14592 -0.00528 -0.24630 -0.00759 142 6PX -2.06222 -1.01944 0.85609 0.43264 -1.69248 143 6PY -1.25490 1.76574 0.52578 -0.74658 -1.01254 144 6PZ -0.05329 -1.92228 0.01491 1.21566 -0.06669 145 7D 0 -0.00003 0.00147 -0.00099 -0.04788 -0.00161 146 7D+1 0.00118 0.00390 -0.02904 0.00925 -0.02212 147 7D-1 0.00094 -0.00641 -0.01871 -0.01324 -0.01449 148 7D+2 -0.00514 0.00414 0.04077 -0.01278 0.02995 149 7D-2 0.00280 0.00863 -0.02000 -0.02465 -0.01510 150 8D 0 -0.00006 -0.00057 -0.00012 -0.00663 -0.00033 151 8D+1 -0.00057 0.00097 -0.00416 0.00172 -0.00453 152 8D-1 -0.00032 -0.00161 -0.00268 -0.00251 -0.00296 153 8D+2 -0.00015 0.00059 0.00584 -0.00154 0.00605 154 8D-2 0.00015 0.00135 -0.00287 -0.00291 -0.00304 155 8 C 1S 0.00000 -0.00695 0.00004 -0.00393 -0.00003 156 2S -0.00001 0.01365 -0.00011 0.00843 0.00004 157 3S 0.00008 0.07425 -0.00007 0.01592 0.00021 158 4PX -0.12553 -0.01340 -0.02609 0.00128 -0.01763 159 4PY -0.07621 0.02808 -0.01595 -0.00150 -0.01058 160 4PZ -0.00336 -0.13536 -0.00027 -0.01294 -0.00084 161 5PX -0.11832 0.00991 -0.01745 -0.03390 -0.01271 162 5PY -0.07156 -0.00968 -0.01098 0.05472 -0.00772 163 5PZ -0.00301 -0.14594 -0.00032 0.02104 -0.00053 164 9 O 1S -0.00001 -0.00155 -0.00006 0.00839 0.00005 165 2S 0.00001 0.00754 0.00018 -0.02595 -0.00015 166 3S 0.00015 -0.01429 0.00026 -0.02938 -0.00033 167 4PX 0.06313 0.01591 -0.03471 -0.00758 -0.01871 168 4PY 0.03838 -0.02897 -0.02114 0.01254 -0.01142 169 4PZ 0.00175 0.06514 -0.00103 -0.03040 -0.00046 170 5PX 0.05186 0.00713 -0.01352 -0.01067 -0.00349 171 5PY 0.03149 -0.01462 -0.00841 0.01793 -0.00209 172 5PZ 0.00136 0.06457 -0.00042 -0.01932 0.00000 101 102 103 104 105 V V V V V EIGENVALUES -- 0.07998 0.09089 0.09091 0.09176 0.09547 1 1 Cu 1S 0.00167 -0.00325 0.00150 0.00323 0.00151 2 2S 0.04311 -0.06728 0.03296 0.06237 0.01245 3 3S 0.97145 -1.17249 0.61392 0.85983 0.04040 4 4PX -0.00948 0.02703 0.06661 0.02360 0.01116 5 4PY -0.01880 -0.01934 0.02126 -0.03887 -0.01941 6 4PZ 0.01713 0.04385 0.03002 -0.01345 -0.00643 7 5PX 0.05839 -0.19717 -0.43608 -0.18289 -0.11319 8 5PY 0.09417 0.09412 -0.12663 0.32451 0.12288 9 5PZ -0.08277 -0.26687 -0.21854 0.11139 0.06039 10 6PX -2.37478 0.04157 1.07880 0.07788 -1.33908 11 6PY -1.63331 -0.90496 0.62945 0.41655 1.95983 12 6PZ -0.34284 1.08481 0.02661 0.31902 1.88656 13 7D 0 0.02420 -0.00800 -0.01646 0.00760 0.00710 14 7D+1 0.03094 -0.03989 0.01749 -0.03064 -0.00246 15 7D-1 -0.00531 0.00132 0.00892 0.03029 0.01021 16 7D+2 0.00408 -0.02284 0.02194 0.01477 -0.00398 17 7D-2 -0.03191 0.00944 0.01887 -0.02548 0.00915 18 8D 0 0.00353 -0.00218 -0.00480 0.00089 0.00554 19 8D+1 0.00511 -0.01204 0.00506 -0.00442 -0.00142 20 8D-1 -0.00082 0.00212 0.00239 0.00328 0.00151 21 8D+2 0.00061 -0.00671 0.00647 0.00318 0.00191 22 8D-2 -0.00481 0.00171 0.00598 -0.00380 0.00213 23 2 Cu 1S -0.00088 0.00148 -0.00388 0.00440 0.00187 24 2S -0.02342 0.02986 -0.07573 0.05409 0.01138 25 3S -0.54997 0.53451 -1.28259 0.44243 0.03077 26 4PX 0.01225 0.01774 -0.02642 -0.01389 0.00300 27 4PY 0.00559 0.05777 0.01501 -0.01578 -0.02075 28 4PZ 0.00248 -0.05405 -0.03329 -0.01901 -0.02186 29 5PX -0.06550 -0.09867 0.13444 0.09267 -0.05921 30 5PY -0.04254 -0.38797 -0.12047 0.14936 0.13704 31 5PZ 0.00278 0.36978 0.20320 0.15621 0.15643 32 6PX 1.01979 0.51176 -1.26348 0.47158 -2.03089 33 6PY 2.48886 0.87887 -0.06242 -0.86330 2.86075 34 6PZ -1.91680 -0.53257 -0.66252 -0.55333 2.43165 35 7D 0 -0.03194 -0.00464 -0.01787 -0.01927 -0.00970 36 7D+1 -0.03505 -0.01927 0.00281 -0.01967 -0.00156 37 7D-1 0.01151 -0.01667 0.03953 0.02153 0.00308 38 7D+2 0.00229 -0.01138 0.02030 -0.00454 -0.00082 39 7D-2 0.04079 0.01859 0.00640 -0.03541 -0.00442 40 8D 0 -0.00496 -0.00183 -0.00510 -0.00382 -0.00409 41 8D+1 -0.00527 -0.00555 -0.00088 -0.00174 -0.00227 42 8D-1 0.00176 -0.00520 0.01238 0.00568 -0.00267 43 8D+2 0.00067 -0.00265 0.00501 -0.00205 0.00310 44 8D-2 0.00632 0.00564 0.00037 -0.00356 -0.00474 45 3 Cu 1S -0.00224 0.00084 0.00323 0.00580 -0.00022 46 2S -0.05465 0.01772 0.06907 0.06646 -0.00128 47 3S -1.28868 0.32828 1.28637 0.54019 -0.00467 48 4PX 0.00741 -0.07173 0.02570 -0.00373 0.00565 49 4PY -0.02151 -0.04390 -0.01026 0.01162 0.00501 50 4PZ 0.02859 -0.00172 0.03087 -0.01673 0.00339 51 5PX -0.03726 0.48882 -0.16075 0.01685 -0.06216 52 5PY 0.11366 0.28835 0.03608 -0.07463 -0.05028 53 5PZ -0.14572 0.02137 -0.16984 0.15535 -0.02458 54 6PX 0.08671 -0.80676 0.40859 0.88814 0.27617 55 6PY -1.27899 -0.61717 -0.55975 -1.43743 -0.27928 56 6PZ 2.10195 0.19486 1.21436 -0.91104 -0.24530 57 7D 0 0.01680 -0.01005 -0.02324 -0.01698 0.00327 58 7D+1 -0.00244 -0.01730 0.01284 -0.01222 0.01391 59 7D-1 -0.01782 -0.00699 0.00742 0.02170 0.00850 60 7D+2 -0.01742 -0.00500 0.02903 -0.01177 -0.00905 61 7D-2 -0.01643 0.02026 0.03610 -0.02473 0.00484 62 8D 0 0.00242 -0.00311 -0.00719 0.00146 0.00115 63 8D+1 -0.00009 -0.00511 0.00463 -0.00301 0.00197 64 8D-1 -0.00320 -0.00253 0.00070 0.00382 0.00169 65 8D+2 -0.00274 -0.00190 0.00811 -0.00112 -0.00324 66 8D-2 -0.00250 0.00605 0.01007 -0.00303 0.00235 67 4 Cu 1S -0.00051 -0.00310 -0.00268 0.00414 -0.00200 68 2S -0.01423 -0.06194 -0.05270 0.05431 -0.01280 69 3S -0.33887 -1.07618 -0.88094 0.49412 -0.03336 70 4PX -0.00673 0.04544 -0.01525 0.02519 -0.02133 71 4PY -0.00331 -0.00480 0.04119 0.00006 0.01342 72 4PZ -0.00082 0.04070 -0.05445 -0.01703 0.02051 73 5PX 0.04482 -0.27363 0.13465 -0.21198 0.12293 74 5PY 0.00988 0.05954 -0.26340 0.02443 -0.12597 75 5PZ 0.02125 -0.28039 0.35744 0.14055 -0.15108 76 6PX -1.97575 1.20937 0.33773 0.45446 1.76526 77 6PY 1.04116 0.38012 0.98331 -0.66592 -3.24239 78 6PZ -2.54152 0.41694 -0.74144 -0.40034 -2.63799 79 7D 0 -0.01729 -0.01519 -0.01831 -0.01694 0.00654 80 7D+1 0.03150 -0.03639 -0.00889 -0.00791 0.00081 81 7D-1 0.03910 0.00953 0.02557 0.03085 -0.00561 82 7D+2 0.03894 -0.01226 0.01392 -0.02780 0.00426 83 7D-2 0.00468 0.01578 0.01417 -0.02316 0.00144 84 8D 0 -0.00272 -0.00389 -0.00520 -0.00424 0.00215 85 8D+1 0.00479 -0.01109 -0.00262 -0.00265 -0.00380 86 8D-1 0.00600 0.00362 0.00897 0.00478 -0.00222 87 8D+2 0.00596 -0.00390 0.00317 -0.00185 0.00636 88 8D-2 0.00100 0.00320 0.00291 -0.00385 -0.00121 89 5 Cu 1S 0.00189 0.00358 -0.00017 0.00309 -0.00118 90 2S 0.04925 0.07505 -0.00261 0.06242 -0.01034 91 3S 1.11192 1.32189 -0.01277 0.88829 -0.04232 92 4PX 0.01974 -0.02200 -0.05565 0.02234 -0.00674 93 4PY -0.00521 0.01154 -0.05732 -0.04128 0.01682 94 4PZ 0.02295 -0.02799 0.03249 -0.01603 0.00420 95 5PX -0.10376 0.11082 0.37461 -0.19351 0.02215 96 5PY 0.01835 -0.06763 0.38060 0.33085 -0.13877 97 5PZ -0.11590 0.14900 -0.22126 0.12844 -0.04426 98 6PX 2.58772 -0.98229 -0.71091 -0.47769 0.93335 99 6PY 0.63439 0.31832 -0.77941 0.27167 -1.53179 100 6PZ 0.59338 -1.12844 0.31545 0.33515 -1.44633 101 7D 0 0.00726 -0.01413 -0.01687 0.01265 -0.00562 102 7D+1 -0.02638 -0.02298 0.00560 -0.01752 0.00827 103 7D-1 -0.02498 -0.02565 0.01174 0.04336 -0.00467 104 7D+2 -0.02649 -0.00887 0.01707 -0.02133 -0.01440 105 7D-2 0.00529 0.03666 0.01399 -0.00251 0.00029 106 8D 0 0.00078 -0.00409 -0.00484 0.00206 -0.00476 107 8D+1 -0.00420 -0.00532 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-0.11893 13 7D 0 0.00860 0.01117 0.04079 0.02041 -0.01413 14 7D+1 -0.00508 0.00587 0.00428 -0.02799 -0.01505 15 7D-1 0.01663 -0.00773 0.02037 -0.00990 -0.01755 16 7D+2 0.00146 -0.00539 -0.00992 0.04009 -0.02116 17 7D-2 0.00092 -0.01251 0.02930 -0.00490 0.02492 18 8D 0 -0.00087 -0.00210 0.00683 0.00727 -0.00281 19 8D+1 0.00263 -0.00106 -0.00085 -0.00735 -0.01370 20 8D-1 0.00178 0.00140 0.00227 -0.00125 -0.00169 21 8D+2 -0.00464 0.00095 0.00035 0.00970 -0.00727 22 8D-2 0.00020 0.00233 0.00375 0.00001 0.00637 23 2 Cu 1S 0.00245 -0.00001 0.00019 0.00049 -0.00890 24 2S 0.02778 -0.00142 0.00021 0.00295 -0.05984 25 3S 0.13983 -0.05334 -0.11037 -0.02937 -0.19941 26 4PX -0.00008 -0.00065 0.03834 0.02580 0.03512 27 4PY -0.02366 -0.00245 -0.05725 -0.04230 -0.01069 28 4PZ -0.01323 0.00261 -0.05176 -0.03609 -0.05274 29 5PX -0.02175 -0.00022 -0.42579 -0.27410 -0.32376 30 5PY 0.20698 -0.02402 0.61278 0.44829 0.09365 31 5PZ 0.08948 0.02571 0.54509 0.37368 0.70473 32 6PX -0.68107 1.21995 0.64626 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-0.01050 0.53912 53 5PZ 0.26303 -0.00383 -0.65835 0.00108 0.36266 54 6PX -1.81243 12.99914 -0.78340 0.06992 0.27290 55 6PY 2.92648 6.88387 1.25037 0.03301 -0.67629 56 6PZ 2.38753 1.54597 1.09262 0.00688 -0.20216 57 7D 0 -0.01019 0.00278 -0.04403 0.00583 0.00338 58 7D+1 -0.00267 0.01414 0.01292 0.02445 0.02534 59 7D-1 0.00716 0.00617 -0.01210 0.01842 -0.02624 60 7D+2 -0.01171 0.00835 -0.01403 -0.03840 0.04286 61 7D-2 -0.01736 -0.00759 -0.01737 0.02221 0.06795 62 8D 0 -0.00617 -0.00055 -0.01090 0.00061 -0.00314 63 8D+1 0.00117 -0.00271 0.00359 0.00256 0.00373 64 8D-1 -0.00076 -0.00118 -0.00354 0.00212 -0.00189 65 8D+2 -0.00378 -0.00160 -0.00301 -0.00477 0.00531 66 8D-2 -0.00470 0.00148 -0.00344 0.00266 0.00747 67 4 Cu 1S 0.00204 0.00002 0.00003 -0.00054 -0.00796 68 2S 0.02642 0.00132 -0.00049 -0.00309 -0.05554 69 3S 0.15752 0.04919 -0.11705 0.05489 -0.24871 70 4PX 0.01818 -0.00186 0.03505 -0.02706 -0.00128 71 4PY -0.01039 0.00116 -0.05913 0.04184 -0.02612 72 4PZ -0.00740 -0.00301 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112 2S -0.07128 0.00000 -0.00744 0.00177 0.21721 113 3S -0.17082 -0.00093 0.17830 -0.03823 3.92965 114 4PX -0.00381 0.00004 0.00114 -0.00298 -0.01254 115 4PY 0.00710 0.00001 -0.00332 -0.00091 0.01787 116 4PZ -0.01587 0.00003 0.00037 -0.00022 0.06141 117 5PX 0.05041 0.00023 0.00811 0.05714 0.24334 118 5PY -0.08873 0.00035 0.01714 0.03350 -0.36743 119 5PZ 0.12258 -0.00007 -0.04361 0.01125 -0.75815 120 6PX -2.67485 0.04372 -0.04321 -0.16755 -0.21151 121 6PY 4.73076 0.02398 0.00900 -0.10285 0.24661 122 6PZ -6.37725 0.00386 0.09864 -0.03430 2.24907 123 7D 0 0.00587 0.00001 -0.05675 0.01523 -0.04912 124 7D+1 0.01659 -0.00010 -0.00608 0.07363 -0.02167 125 7D-1 -0.02636 -0.00006 0.04945 0.03238 0.03587 126 7D+2 0.01531 -0.00007 0.03808 0.03807 -0.03394 127 7D-2 0.03147 0.00009 0.04804 -0.03597 -0.06788 128 8D 0 0.00321 0.00000 -0.01213 0.00322 -0.01549 129 8D+1 0.00425 -0.00001 -0.00230 0.01556 -0.01426 130 8D-1 -0.00691 -0.00002 0.01214 0.00638 0.02308 131 8D+2 0.00423 -0.00002 0.00793 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0.04407 0.01679 -0.09569 -0.00321 0.02521 58 7D+1 -0.02086 0.05272 0.03326 -0.03617 0.04451 59 7D-1 -0.00669 0.02564 -0.01974 -0.02584 -0.06685 60 7D+2 -0.04930 0.02923 -0.00291 -0.01855 0.02732 61 7D-2 -0.06702 -0.04060 -0.00291 0.02850 0.04630 62 8D 0 0.01537 0.00596 -0.02182 -0.00288 0.00652 63 8D+1 -0.00491 0.01947 0.01188 -0.01756 0.01849 64 8D-1 -0.00572 0.00893 -0.00964 -0.01135 -0.02424 65 8D+2 -0.01444 0.00979 0.00387 -0.01008 0.01296 66 8D-2 -0.01820 -0.01284 0.00781 0.01334 0.02020 67 4 Cu 1S 0.00044 0.00417 0.00769 -0.00183 0.00555 68 2S -0.01095 0.00328 0.03342 0.04533 -0.09157 69 3S -0.87492 -0.67517 -1.03605 3.20711 -6.66463 70 4PX 0.03754 -0.00502 -0.02721 0.03764 -0.07019 71 4PY -0.03816 0.00866 0.03063 0.01473 -0.04876 72 4PZ 0.04969 -0.01858 -0.01461 -0.02905 0.00548 73 5PX -0.54115 0.12696 0.55694 -0.80412 1.80458 74 5PY 0.61772 -0.04778 -0.38624 -0.48644 1.20749 75 5PZ -0.73313 0.28422 0.30033 0.95069 -0.01925 76 6PX 1.14823 0.66606 -0.38406 -0.02117 0.85533 77 6PY 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-0.04888 -0.00244 0.02012 117 5PX 0.51035 -0.47831 0.60838 0.75627 0.01565 118 5PY -0.86146 -0.28314 -1.02420 0.45802 0.14904 119 5PZ 0.24715 -0.01653 0.32372 0.04434 -0.43676 120 6PX -1.10919 0.82504 -1.13671 -1.01176 0.03131 121 6PY 1.83623 0.48310 1.89219 -0.59021 -0.26851 122 6PZ 0.05406 0.01999 -0.50607 -0.05608 0.39916 123 7D 0 0.02149 -0.00084 0.03962 0.00705 -0.06225 124 7D+1 -0.02974 -0.01470 -0.01041 0.07440 -0.01384 125 7D-1 0.04542 -0.00998 0.01526 0.04143 0.04074 126 7D+2 -0.01016 0.01730 0.01281 0.03064 0.03286 127 7D-2 -0.02304 -0.00817 0.02313 -0.02232 0.05713 128 8D 0 -0.00778 -0.00001 -0.00312 0.00278 -0.02508 129 8D+1 -0.02067 -0.00147 -0.02276 0.02928 -0.00785 130 8D-1 0.03274 -0.00130 0.03589 0.01597 0.01976 131 8D+2 -0.01631 0.00236 -0.01563 0.01220 0.01122 132 8D-2 -0.03372 -0.00085 -0.03271 -0.00858 0.01876 133 7 Cu 1S 0.00594 0.00001 0.02186 -0.00026 0.00316 134 2S 0.01474 0.00027 0.11830 -0.00136 0.01880 135 3S 0.02283 0.00220 1.82351 0.00717 0.25802 136 4PX 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-0.00453 156 2S -0.07749 0.00089 0.05618 -0.00121 0.01203 157 3S -0.57524 0.00564 0.07374 -0.00175 0.07817 158 4PX 0.03874 0.13502 0.03282 -0.03792 -0.00288 159 4PY -0.05691 0.08261 -0.05770 -0.02269 -0.00441 160 4PZ -0.09447 0.00473 0.08640 -0.00142 -0.00106 161 5PX 0.55703 0.06643 0.77933 -0.14353 0.07799 162 5PY -0.89171 0.04850 -1.25175 -0.07864 -0.16409 163 5PZ -0.49459 0.00593 -0.61439 -0.00436 0.04975 164 9 O 1S 0.02652 -0.00015 0.05963 -0.00052 0.00854 165 2S -0.02740 0.00014 -0.09244 0.00120 -0.01497 166 3S -0.50344 0.00292 -0.93473 0.00555 -0.12321 167 4PX 0.03275 -0.05545 0.07122 0.05530 0.00253 168 4PY -0.05514 -0.03337 -0.11620 0.03269 0.00198 169 4PZ 0.00390 -0.00149 -0.02106 0.00565 -0.03743 170 5PX 0.00284 -0.03992 0.07812 0.02287 0.01918 171 5PY -0.01000 -0.02441 -0.13290 0.01601 -0.02267 172 5PZ 0.09641 -0.00212 0.06758 -0.00004 -0.00399 116 117 118 119 120 V V V V V EIGENVALUES -- 0.25253 0.26105 0.27801 0.28658 0.31089 1 1 Cu 1S -0.00049 -0.00013 0.00104 0.00001 0.01511 2 2S 0.06408 -0.01231 -0.06208 0.00019 0.09514 3 3S 3.74253 -1.20453 -3.24603 -0.00695 0.46935 4 4PX -0.01192 -0.02621 0.01608 -0.06286 0.00351 5 4PY -0.05686 0.03797 0.03670 -0.00353 -0.00565 6 4PZ 0.00776 0.00904 -0.03659 -0.04195 0.02046 7 5PX 0.30374 0.75056 -0.54135 1.68085 -0.24351 8 5PY 1.46032 -1.06016 -0.91520 0.09286 -0.19730 9 5PZ -0.17156 -0.14075 1.18343 1.12630 -0.88494 10 6PX 0.65878 -0.68386 -0.34670 -4.90210 0.03075 11 6PY -0.24717 0.42836 -0.38417 -0.27149 0.22490 12 6PZ -1.06597 0.80311 0.36145 -3.27057 0.05246 13 7D 0 -0.05498 0.05968 -0.04099 -0.05118 0.06289 14 7D+1 0.05256 -0.09170 0.06225 -0.02567 0.01457 15 7D-1 -0.02584 0.01494 0.06633 0.03374 0.02319 16 7D+2 -0.03708 0.07876 0.00724 0.02367 0.05946 17 7D-2 0.02860 0.02260 -0.03264 0.05686 -0.04497 18 8D 0 -0.01563 0.00564 -0.00640 -0.01990 0.01220 19 8D+1 0.01577 -0.00854 0.02840 -0.01021 0.00437 20 8D-1 -0.01196 0.00326 0.01664 0.01341 -0.01319 21 8D+2 -0.00858 0.01916 0.01858 0.00913 0.00574 22 8D-2 0.01116 0.00917 -0.00613 0.02165 -0.00031 23 2 Cu 1S 0.00526 0.00783 0.00725 -0.00087 -0.00618 24 2S -0.01581 0.06442 -0.01796 -0.00474 -0.09510 25 3S -2.28620 1.18571 -2.71434 -0.02125 -2.92529 26 4PX 0.03957 -0.02123 0.04065 0.00685 0.03955 27 4PY -0.02852 0.00215 0.01176 0.05123 0.00241 28 4PZ -0.01029 -0.02164 0.00504 -0.05523 0.03318 29 5PX -1.00615 0.43283 -1.38894 -0.17678 -0.87375 30 5PY 0.79632 -0.03220 -0.16595 -1.36915 -0.06660 31 5PZ 0.17364 0.51696 0.01490 1.47731 -1.47868 32 6PX 0.43486 0.42809 -0.28887 0.47677 -0.52716 33 6PY -1.10119 -0.11876 -0.14924 3.98142 -0.15994 34 6PZ -0.94605 -0.36367 -0.37607 -4.30710 -0.08826 35 7D 0 0.03308 0.00665 0.06525 0.03966 -0.03158 36 7D+1 0.01297 0.01890 -0.00911 0.05761 -0.08003 37 7D-1 0.05162 -0.00855 -0.00423 -0.00404 -0.05358 38 7D+2 -0.07890 0.00779 -0.10353 0.00901 0.00246 39 7D-2 0.05604 -0.00875 -0.00938 -0.05689 0.00052 40 8D 0 0.00550 0.00585 0.01904 0.01558 -0.00489 41 8D+1 -0.00146 0.01067 -0.00302 0.02170 -0.02250 42 8D-1 0.01996 -0.00554 -0.02199 -0.00157 -0.01041 43 8D+2 -0.01967 -0.00168 -0.02688 0.00364 -0.00630 44 8D-2 0.01491 0.01089 0.00147 -0.02185 -0.00230 45 3 Cu 1S -0.00086 0.01475 0.01145 0.00008 -0.01945 46 2S 0.00934 0.05441 0.00845 0.00041 -0.20386 47 3S 0.75440 -1.13977 -2.46924 -0.00098 -4.68952 48 4PX -0.00820 0.01111 0.00985 0.06654 0.01766 49 4PY 0.00591 -0.01932 -0.02597 0.03527 -0.04353 50 4PZ -0.00528 -0.01957 0.02221 0.00788 0.06771 51 5PX 0.06947 -0.32492 -0.46172 -1.77615 -0.32152 52 5PY -0.22018 0.56462 1.07270 -0.94073 0.81773 53 5PZ 0.11900 0.40036 -0.56542 -0.21123 -2.05373 54 6PX -0.21686 0.52360 0.06887 5.15952 -0.17578 55 6PY -0.04518 -0.87407 -0.07335 2.73247 0.50895 56 6PZ 0.15395 -0.76105 -0.49854 0.61286 -0.71745 57 7D 0 -0.00874 0.04782 0.01524 -0.01348 -0.07449 58 7D+1 0.00240 -0.02017 -0.03739 -0.06710 0.01054 59 7D-1 -0.01122 0.02874 0.08860 -0.02909 -0.00297 60 7D+2 -0.00698 0.02277 0.05886 -0.04014 -0.00142 61 7D-2 0.00239 0.02612 0.06558 0.03676 0.00722 62 8D 0 -0.00341 0.02011 -0.00621 -0.00506 -0.02408 63 8D+1 -0.00336 -0.00544 -0.00161 -0.02517 -0.00595 64 8D-1 -0.00571 0.00444 0.01488 -0.01095 0.01842 65 8D+2 -0.00325 0.00683 0.02237 -0.01477 0.00306 66 8D-2 0.00397 0.00966 0.02977 0.01358 0.00282 67 4 Cu 1S -0.00430 0.00611 0.00587 0.00080 -0.00190 68 2S -0.00278 0.06129 -0.02773 0.00413 -0.05803 69 3S 0.95596 1.41481 -2.82655 0.01163 -2.27989 70 4PX -0.01763 0.01037 -0.03542 0.03527 -0.02006 71 4PY 0.03873 0.02769 -0.02811 -0.02893 -0.02677 72 4PZ 0.01872 -0.01444 -0.00344 0.06032 0.02460 73 5PX 0.51448 -0.20826 0.95818 -0.93920 0.54158 74 5PY -1.05139 -0.61530 1.04429 0.77780 0.65090 75 5PZ -0.35374 0.37536 0.27212 -1.61073 -1.29179 76 6PX -0.69155 -0.17684 0.34157 2.72257 0.32451 77 6PY 1.07290 -0.21224 0.25800 -2.28575 0.28144 78 6PZ 0.95381 -0.27968 -0.29101 4.68905 0.05739 79 7D 0 -0.01785 -0.00266 0.06085 -0.01810 0.00499 80 7D+1 0.04285 0.00050 -0.01631 0.04934 0.09401 81 7D-1 0.01462 -0.01632 -0.02612 0.05064 0.04279 82 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0.53930 0.05943 12 6PZ -0.01871 0.02802 0.25145 -0.51009 0.11569 13 7D 0 -0.17276 0.09233 -0.00982 -0.00517 0.15077 14 7D+1 0.00562 0.10235 -0.05929 0.01713 0.10204 15 7D-1 -0.06789 0.08720 -0.15200 0.00900 -0.07969 16 7D+2 0.00642 -0.15251 -0.01521 -0.03364 -0.00973 17 7D-2 -0.10629 0.13435 0.04125 -0.08833 -0.17425 18 8D 0 0.22885 -0.14784 0.03338 0.00807 -0.20767 19 8D+1 0.00323 -0.13709 0.09705 0.00912 -0.16197 20 8D-1 0.10183 -0.12254 0.22894 -0.06360 0.10766 21 8D+2 -0.03258 0.20465 0.04527 0.04604 -0.00397 22 8D-2 0.14949 -0.19592 -0.07668 0.14743 0.24000 23 2 Cu 1S -0.01276 -0.00564 0.06117 0.12219 -0.18360 24 2S -0.01994 -0.00758 0.10176 0.18705 -0.32535 25 3S 0.28366 0.15957 -1.47617 -3.20286 4.12643 26 4PX -0.00253 -0.00591 0.00746 0.00745 -0.00465 27 4PY 0.00211 0.00918 0.00664 0.00087 -0.00458 28 4PZ 0.00171 0.00749 0.00433 0.00818 0.00112 29 5PX 0.09936 0.12503 -0.48093 -0.69718 0.81362 30 5PY -0.03405 -0.16242 -0.08466 -0.13274 0.37857 31 5PZ 0.00409 -0.14271 -0.43117 -0.26478 0.21729 32 6PX -0.01065 -0.04048 -0.19382 -0.34289 0.78356 33 6PY 0.04956 0.12366 0.08498 -0.02156 0.38327 34 6PZ 0.10503 0.06074 -0.43557 -0.26241 0.14601 35 7D 0 0.19501 -0.11562 0.01828 0.16416 0.08282 36 7D+1 -0.13300 -0.01001 0.09476 0.08748 0.06872 37 7D-1 0.01669 -0.05731 0.00119 -0.04291 -0.00911 38 7D+2 0.17422 0.03684 0.00870 -0.03561 -0.00271 39 7D-2 0.06232 -0.08579 0.04602 -0.12462 -0.13917 40 8D 0 -0.28749 0.15301 -0.01960 -0.22467 -0.12673 41 8D+1 0.18953 -0.00054 -0.16292 -0.12953 -0.06081 42 8D-1 -0.02891 0.06352 -0.02173 0.08382 -0.00849 43 8D+2 -0.24193 -0.03123 -0.04201 0.03601 0.03128 44 8D-2 -0.09339 0.10537 -0.06607 0.15392 0.23364 45 3 Cu 1S -0.00786 0.01453 0.10678 -0.01442 0.13461 46 2S -0.01276 0.02387 0.16235 -0.02400 0.21888 47 3S 0.16580 -0.29531 -2.62802 0.32304 -3.29808 48 4PX -0.00171 0.00578 0.00042 0.00463 0.00073 49 4PY 0.00344 -0.00911 -0.00485 0.00288 -0.00151 50 4PZ 0.00205 -0.00670 0.01695 -0.00073 0.00192 51 5PX 0.06357 -0.10433 -0.18546 -0.30439 -0.12540 52 5PY -0.06729 0.19887 0.47058 -0.21926 0.36561 53 5PZ -0.00103 0.06391 -0.81333 0.04584 -0.44339 54 6PX 0.00778 0.10062 0.07888 -0.36624 -0.08092 55 6PY 0.06796 -0.10901 -0.11305 -0.20964 0.25768 56 6PZ 0.08487 -0.17836 -0.61469 0.02405 -0.40789 57 7D 0 -0.01093 0.11786 0.06367 0.03204 -0.07757 58 7D+1 0.12983 0.01335 0.02207 0.20519 -0.00302 59 7D-1 0.08460 0.06038 -0.01614 0.09270 0.06592 60 7D+2 -0.23167 -0.03519 0.04321 0.11528 0.05293 61 7D-2 0.10841 0.09679 0.06270 -0.10826 0.06743 62 8D 0 0.00605 -0.14103 -0.11316 -0.04439 0.12270 63 8D+1 -0.18415 -0.02976 -0.04408 -0.29739 -0.01803 64 8D-1 -0.12768 -0.07499 0.05927 -0.13967 -0.06316 65 8D+2 0.33004 0.06262 -0.04234 -0.16750 -0.09331 66 8D-2 -0.16195 -0.12554 -0.06778 0.15546 -0.13115 67 4 Cu 1S 0.01224 0.00311 0.04391 -0.13401 -0.18280 68 2S 0.01806 0.00595 0.07695 -0.20939 -0.32788 69 3S -0.30028 -0.02091 -1.03807 3.41480 4.03676 70 4PX 0.00431 -0.00382 -0.00825 0.00765 0.00467 71 4PY -0.00819 0.00557 -0.00214 0.00647 0.00063 72 4PZ -0.00617 0.00469 0.00106 -0.00725 0.00267 73 5PX -0.04658 0.08172 0.31447 -0.60501 -0.75934 74 5PY 0.18331 -0.08671 0.30718 -0.57152 -0.44293 75 5PZ 0.10906 -0.10484 -0.31547 0.17405 0.03723 76 6PX 0.09743 -0.03254 0.03969 -0.28127 -0.77847 77 6PY -0.08375 0.04244 0.28172 -0.34611 -0.43862 78 6PZ -0.09151 -0.01653 -0.33124 0.23825 -0.02126 79 7D 0 -0.11607 -0.21733 -0.03955 -0.11770 0.05751 80 7D+1 -0.04840 0.05012 -0.03577 0.10595 -0.07855 81 7D-1 -0.08984 -0.06495 -0.06576 0.12962 -0.06764 82 7D+2 0.06581 -0.08147 0.04704 0.09994 -0.11560 83 7D-2 -0.12571 -0.10295 0.04730 0.04060 -0.04429 84 8D 0 0.17311 0.31183 0.07192 0.15848 -0.09546 85 8D+1 0.04904 -0.05787 0.08060 -0.13341 0.11995 86 8D-1 0.12339 0.09899 0.09749 -0.19737 0.05961 87 8D+2 -0.07087 0.09970 -0.06053 -0.13054 0.18526 88 8D-2 0.17056 0.15261 -0.09513 -0.02939 0.10823 89 5 Cu 1S -0.01310 0.00067 0.03580 0.13572 0.00158 90 2S -0.02143 0.00139 0.09385 0.24795 0.00141 91 3S 0.38185 -0.03427 -0.45999 -2.95838 -0.10488 92 4PX -0.00561 -0.00026 0.00548 0.00183 0.00746 93 4PY 0.00987 -0.00002 -0.00217 -0.00396 0.00298 94 4PZ 0.00922 -0.00026 0.00322 0.00275 -0.00033 95 5PX 0.06087 0.01219 0.21208 0.25300 -0.16216 96 5PY -0.15246 -0.01249 -0.05620 -0.18544 -0.02820 97 5PZ -0.20553 0.00967 -0.06960 0.35681 -0.02297 98 6PX -0.08501 0.00079 0.16293 0.39274 -0.14632 99 6PY 0.09389 0.04561 0.28887 -0.22936 -0.10728 100 6PZ -0.02311 0.02795 0.40738 0.49433 0.08274 101 7D 0 0.09448 0.12714 0.05087 0.00185 0.10890 102 7D+1 0.00673 -0.15132 0.16294 0.00379 -0.07441 103 7D-1 0.06149 -0.05392 -0.04011 0.01844 -0.14595 104 7D+2 -0.03332 0.22869 0.02269 0.06443 -0.16809 105 7D-2 0.06924 -0.03130 0.00352 0.07345 -0.04102 106 8D 0 -0.10706 -0.18291 -0.05888 -0.00237 -0.14280 107 8D+1 -0.00346 0.21725 -0.25856 -0.02539 0.11312 108 8D-1 -0.07807 0.07781 0.06416 0.02822 0.21228 109 8D+2 0.04203 -0.32984 -0.05384 -0.09796 0.23544 110 8D-2 -0.07594 0.04766 0.01371 -0.12167 0.03459 111 6 Cu 1S -0.00172 0.00324 0.00587 0.00180 0.00138 112 2S -0.00654 0.01125 0.05987 -0.00069 -0.01504 113 3S -0.05547 0.08265 1.24834 -0.24624 -1.83037 114 4PX -0.00046 -0.00001 0.01752 0.01031 -0.00532 115 4PY 0.00027 0.00019 -0.02873 0.00857 0.00564 116 4PZ 0.00014 -0.00043 0.00057 0.00201 0.01102 117 5PX 0.04153 -0.01734 -0.60189 -0.41846 0.20608 118 5PY -0.01956 0.03825 0.98308 -0.33013 -0.21281 119 5PZ -0.00849 0.02734 0.00418 -0.08109 -0.37628 120 6PX -0.12308 -0.00103 0.49036 -0.17356 0.10525 121 6PY 0.02162 -0.15585 -0.83141 -0.04158 -0.10755 122 6PZ -0.08326 0.14427 0.43205 -0.04793 -0.08392 123 7D 0 0.05680 -0.08285 0.10228 -0.01886 -0.08201 124 7D+1 0.14459 0.02451 -0.11616 -0.06595 -0.00794 125 7D-1 0.01556 0.12126 0.17579 -0.03072 0.06739 126 7D+2 0.06886 0.10973 -0.02186 -0.14257 0.09703 127 7D-2 -0.11504 0.06338 -0.04811 0.10703 0.12077 128 8D 0 -0.08468 0.12263 -0.14937 0.03388 0.14258 129 8D+1 -0.21641 -0.03439 0.19685 0.12594 0.00162 130 8D-1 -0.02164 -0.18293 -0.29844 0.06456 -0.10044 131 8D+2 -0.10272 -0.16060 0.04609 0.22207 -0.17120 132 8D-2 0.16848 -0.09052 0.09903 -0.17403 -0.22226 133 7 Cu 1S 0.00548 -0.00859 -0.12227 0.01607 0.09036 134 2S 0.00701 -0.01118 -0.16256 0.02383 0.14067 135 3S -0.21652 0.33354 4.59974 -0.55327 -3.00389 136 4PX 0.00038 -0.00100 -0.01307 0.00314 0.00500 137 4PY -0.00110 0.00124 0.02062 -0.00053 -0.00858 138 4PZ -0.00114 0.00173 0.01962 -0.00143 -0.00652 139 5PX 0.00212 0.03493 0.30006 -0.32688 -0.22764 140 5PY 0.03678 -0.03750 -0.45575 -0.09662 0.42964 141 5PZ 0.03935 -0.05309 -0.86706 0.04580 0.23784 142 6PX 0.06829 0.02828 0.08834 -0.11227 -0.19222 143 6PY 0.01900 0.05745 -0.09665 -0.01275 0.30879 144 6PZ 0.07129 -0.10985 -0.93148 0.07295 0.18296 145 7D 0 -0.05149 0.08140 -0.01272 -0.02812 -0.11438 146 7D+1 -0.10871 -0.03206 -0.10324 -0.14574 0.01743 147 7D-1 -0.02467 -0.09108 0.15509 -0.07993 0.04314 148 7D+2 -0.04460 -0.10120 -0.03879 -0.08836 0.09757 149 7D-2 0.09927 -0.07342 -0.07208 0.08725 0.13921 150 8D 0 0.06885 -0.11019 0.04040 0.04670 0.19160 151 8D+1 0.14422 0.04379 0.15465 0.24628 -0.03191 152 8D-1 0.03344 0.12134 -0.23247 0.13667 -0.06759 153 8D+2 0.05942 0.13688 0.06729 0.12767 -0.15720 154 8D-2 -0.13408 0.10023 0.12546 -0.13398 -0.22744 155 8 C 1S 0.00038 0.00051 -0.04627 0.00227 -0.00428 156 2S 0.02093 -0.03641 -0.10113 -0.00462 -0.06270 157 3S 0.00797 -0.00893 0.04801 0.00003 -0.00209 158 4PX 0.00880 -0.01498 -0.01310 -0.04960 0.08848 159 4PY -0.01160 0.01890 0.01875 -0.03687 -0.12743 160 4PZ -0.00581 0.01405 0.02009 -0.00947 -0.04593 161 5PX -0.00317 -0.01993 -0.22224 0.34245 -0.01531 162 5PY -0.02754 0.03160 0.35676 0.15558 -0.05498 163 5PZ -0.00965 -0.00168 0.35296 0.02781 0.06774 164 9 O 1S 0.00236 -0.00379 -0.01645 0.00086 0.00300 165 2S -0.00582 0.01050 -0.00953 0.00012 -0.01569 166 3S -0.02365 0.03559 0.31142 -0.02170 -0.04138 167 4PX -0.05604 -0.01899 0.25961 0.23249 0.05774 168 4PY -0.01217 -0.03447 -0.43148 0.15497 -0.14935 169 4PZ -0.03586 0.05172 0.18744 0.03313 0.06557 170 5PX 0.09500 0.00089 -0.44282 -0.38450 -0.02613 171 5PY -0.00773 0.08886 0.73593 -0.26092 0.13397 172 5PZ 0.04713 -0.06484 -0.30818 -0.05272 -0.11033 131 132 133 134 135 V V V V V EIGENVALUES -- 0.68238 0.68615 0.68903 0.71667 0.73070 1 1 Cu 1S 0.11927 -0.12718 -0.05044 -0.00254 0.00646 2 2S 0.20115 -0.18095 -0.07695 -0.04867 -0.02445 3 3S -2.71815 3.47158 1.12986 -0.80749 -0.52424 4 4PX 0.00139 -0.00428 0.00325 0.00157 0.00885 5 4PY 0.00882 -0.01468 -0.00728 0.00662 -0.00018 6 4PZ -0.00883 0.00596 0.00136 -0.00812 -0.00323 7 5PX -0.14883 0.62135 -0.12214 0.13038 -0.34675 8 5PY -0.59586 0.71169 0.35145 -0.18223 -0.17903 9 5PZ 0.53886 -0.37030 -0.34070 0.39841 -0.03716 10 6PX 0.13177 0.41745 0.00284 0.10659 0.00885 11 6PY -0.64158 0.25817 -0.11186 0.21321 0.00710 12 6PZ 0.25010 -0.02893 -0.34400 0.03320 -0.03978 13 7D 0 0.04284 0.08963 -0.04147 0.00212 0.06661 14 7D+1 0.01497 -0.06424 0.01260 0.14696 0.02375 15 7D-1 -0.07167 -0.11831 -0.02246 0.12000 0.13489 16 7D+2 -0.08918 -0.03988 0.08581 0.14421 0.08088 17 7D-2 -0.07012 0.05292 0.05963 -0.08105 -0.01834 18 8D 0 -0.06152 -0.13998 0.06869 -0.01535 -0.08424 19 8D+1 -0.00398 0.08600 -0.02381 -0.22723 -0.03578 20 8D-1 0.13434 0.15615 0.01862 -0.17905 -0.21522 21 8D+2 0.14995 0.06937 -0.13660 -0.20958 -0.11910 22 8D-2 0.08426 -0.04431 -0.09030 0.14126 0.01711 23 2 Cu 1S 0.01905 -0.00913 -0.01494 -0.05525 0.03041 24 2S 0.04732 0.03664 -0.05383 -0.07007 0.00085 25 3S -0.41557 0.68507 -0.41110 1.24483 -1.42798 26 4PX 0.00435 -0.01204 0.00875 -0.00583 0.01183 27 4PY -0.00093 -0.00923 0.00215 0.00442 -0.00022 28 4PZ 0.00262 -0.00500 0.00056 -0.00566 -0.00087 29 5PX -0.21832 0.44192 -0.17249 0.30994 -0.44682 30 5PY -0.10070 0.29285 0.19461 -0.17816 -0.25036 31 5PZ -0.00548 -0.06411 -0.10120 0.52137 -0.07158 32 6PX -0.24903 -0.26071 0.13834 0.12898 -0.11283 33 6PY -0.11393 0.24722 0.08940 -0.09613 0.07142 34 6PZ 0.05014 -0.14129 -0.01189 0.16646 0.04631 35 7D 0 -0.01354 -0.04171 0.03277 -0.03199 0.01427 36 7D+1 0.10990 0.14076 -0.05621 0.03728 -0.14465 37 7D-1 0.06743 -0.01745 -0.08137 -0.09032 -0.05643 38 7D+2 0.09453 0.13788 -0.11012 0.00397 -0.09764 39 7D-2 0.03222 -0.04388 0.00968 0.11027 -0.17000 40 8D 0 0.03865 0.04884 -0.05540 0.06083 -0.02163 41 8D+1 -0.15701 -0.22006 0.08052 -0.02939 0.22052 42 8D-1 -0.12677 0.03960 0.12223 0.13683 0.08279 43 8D+2 -0.15437 -0.19376 0.15788 -0.00012 0.15830 44 8D-2 -0.05635 0.05895 0.01000 -0.17576 0.24200 45 3 Cu 1S 0.12651 -0.00361 -0.03267 -0.09710 -0.00294 46 2S 0.24529 -0.01759 -0.09694 -0.10152 0.00057 47 3S -3.01005 -0.14062 -0.20927 2.76091 0.14994 48 4PX 0.00150 0.00448 0.00215 -0.00526 0.00895 49 4PY -0.00306 -0.00015 -0.00830 0.01075 0.00593 50 4PZ 0.00264 0.00316 0.00776 -0.01190 0.00047 51 5PX -0.15633 0.29851 -0.17672 0.20379 -0.38325 52 5PY 0.38484 0.24649 0.17960 -0.44325 -0.23449 53 5PZ -0.51871 -0.00053 -0.02576 0.76492 -0.00211 54 6PX -0.32096 0.25480 -0.02833 0.13889 -0.03014 55 6PY 0.69032 0.11285 -0.10063 -0.23692 -0.03730 56 6PZ -0.42302 0.08552 0.28788 0.06851 -0.01139 57 7D 0 0.09690 0.00830 -0.06787 0.09886 0.03680 58 7D+1 0.05154 0.07514 -0.04071 0.09469 0.08763 59 7D-1 -0.13574 0.06394 0.07418 -0.22043 0.02724 60 7D+2 -0.04010 0.02556 0.07066 0.01236 -0.02573 61 7D-2 -0.03944 0.00024 0.10650 0.06956 0.00594 62 8D 0 -0.16060 -0.00361 0.11136 -0.13532 -0.05843 63 8D+1 -0.09149 -0.07581 0.05819 -0.13637 -0.15044 64 8D-1 0.23726 -0.08150 -0.12481 0.32140 -0.04899 65 8D+2 0.06551 -0.01521 -0.10121 -0.01543 0.03315 66 8D-2 0.05999 -0.01379 -0.13977 -0.10064 -0.00130 67 4 Cu 1S 0.01286 0.02305 -0.01521 -0.04365 -0.03021 68 2S 0.03847 -0.01939 -0.03114 -0.06192 0.00279 69 3S -0.18979 -1.24389 -0.12907 0.81717 1.45215 70 4PX -0.00145 -0.01777 0.00024 -0.00162 0.00498 71 4PY -0.00382 -0.00734 -0.00381 0.00574 0.01126 72 4PZ 0.00129 0.00121 -0.00116 -0.00462 0.00193 73 5PX 0.16614 0.48589 -0.22792 0.00191 -0.43236 74 5PY 0.07934 0.35693 0.16589 -0.32806 -0.27267 75 5PZ 0.05089 0.06844 -0.15142 0.46820 0.03149 76 6PX 0.23163 0.02627 -0.11602 -0.02853 0.01026 77 6PY 0.07160 -0.29565 0.05562 -0.14195 -0.11386 78 6PZ 0.08054 0.04587 -0.12387 0.17390 -0.04402 79 7D 0 -0.06240 0.09051 0.02819 -0.00203 -0.07825 80 7D+1 -0.08874 0.06834 0.04805 0.09262 -0.07586 81 7D-1 -0.01849 0.07012 -0.07097 -0.06708 -0.06500 82 7D+2 0.01483 0.10267 -0.01655 0.06352 0.14607 83 7D-2 0.11754 -0.16962 -0.04361 0.01176 0.17934 84 8D 0 0.11095 -0.12540 -0.05031 0.00672 0.12066 85 8D+1 0.14337 -0.09461 -0.06763 -0.16009 0.11325 86 8D-1 0.00201 -0.11769 0.11584 0.07949 0.09607 87 8D+2 -0.02964 -0.13448 0.04241 -0.10812 -0.20404 88 8D-2 -0.18615 0.24351 0.06846 -0.01078 -0.27620 89 5 Cu 1S 0.12781 0.09542 -0.10526 -0.00009 -0.00231 90 2S 0.21651 0.13905 -0.15789 -0.05102 0.02279 91 3S -2.89940 -2.60075 2.64951 -0.91548 0.31642 92 4PX -0.00632 -0.00973 0.00933 -0.00588 0.00371 93 4PY 0.00452 0.00122 -0.00797 0.00262 0.00663 94 4PZ -0.00973 -0.00580 0.00456 -0.00967 0.00283 95 5PX 0.49012 0.71922 -0.52746 0.08518 -0.31771 96 5PY -0.28598 0.21753 0.27782 -0.20216 -0.23050 97 5PZ 0.63209 0.30986 -0.55834 0.38977 0.02696 98 6PX 0.45064 0.50113 -0.04570 -0.23324 -0.00087 99 6PY -0.51525 0.17693 -0.12835 0.05320 -0.00340 100 6PZ 0.29582 -0.01120 -0.41011 -0.03137 0.04971 101 7D 0 0.04461 -0.12645 0.02067 -0.06860 -0.03520 102 7D+1 0.01800 -0.05230 0.07386 -0.20494 0.11780 103 7D-1 -0.07298 0.05413 -0.02328 -0.00529 -0.04416 104 7D+2 -0.04063 -0.01726 0.02820 -0.10407 -0.00667 105 7D-2 -0.09571 0.05794 0.08275 0.13772 -0.05227 106 8D 0 -0.07374 0.19335 -0.02115 0.09737 0.03652 107 8D+1 -0.06338 0.05491 -0.08610 0.31747 -0.17888 108 8D-1 0.11750 -0.08181 0.02467 0.01296 0.07807 109 8D+2 0.04156 0.00306 -0.03306 0.16852 0.02458 110 8D-2 0.15365 -0.10609 -0.12309 -0.19577 0.08178 111 6 Cu 1S 0.00970 0.01094 0.06292 0.02279 -0.00043 112 2S 0.03805 0.01632 0.09259 0.00173 -0.00050 113 3S 4.23068 0.08230 -0.42453 -0.86060 0.02450 114 4PX 0.01052 -0.01897 0.00454 0.00829 0.00746 115 4PY -0.01442 -0.01229 -0.00164 -0.01238 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1 Cu 1S 0.00714 0.01923 -0.01178 0.02825 0.05021 2 2S -0.02693 0.03774 -0.02759 0.02688 0.09059 3 3S -0.29487 -0.55796 0.14145 -1.48559 -1.11317 4 4PX 0.00402 0.00174 0.00117 0.01564 0.00879 5 4PY -0.00673 0.00341 -0.00214 -0.00135 0.00828 6 4PZ -0.00853 -0.00334 0.00317 -0.00716 0.00964 7 5PX 0.10498 -0.10114 0.15996 -0.07070 0.03048 8 5PY -0.23858 0.07885 -0.03729 -0.09266 -0.18517 9 5PZ 0.06290 0.25621 -0.06504 0.34543 0.18794 10 6PX -0.02953 0.12722 0.00626 -0.17524 -0.00713 11 6PY -0.15088 -0.07509 -0.00366 -0.07098 -0.26832 12 6PZ -0.06198 -0.06486 0.18312 0.26501 0.11487 13 7D 0 0.00988 0.05344 -0.13866 -0.05852 -0.16191 14 7D+1 -0.13272 -0.04381 0.01166 -0.02937 0.04463 15 7D-1 0.09175 -0.08625 -0.02009 -0.00316 -0.09199 16 7D+2 0.01404 0.17314 -0.05353 -0.00177 0.09734 17 7D-2 -0.09726 -0.00419 -0.07836 0.06359 0.04976 18 8D 0 -0.00393 -0.08995 0.22564 0.08587 0.26060 19 8D+1 0.18449 0.07709 -0.02591 0.03977 -0.08765 20 8D-1 -0.13011 0.14369 0.04643 0.01700 0.19816 21 8D+2 -0.00725 -0.28763 0.08506 0.01737 -0.17449 22 8D-2 0.15165 0.01727 0.14077 -0.08622 -0.07095 23 2 Cu 1S 0.01916 -0.01451 -0.03881 -0.03019 -0.09378 24 2S 0.02983 -0.02783 -0.06116 -0.07967 -0.14127 25 3S -0.02461 0.17921 1.21610 -0.14677 2.77481 26 4PX 0.00019 -0.00263 -0.01018 0.00945 -0.00876 27 4PY 0.00191 -0.00273 -0.00054 -0.00282 -0.00178 28 4PZ -0.00600 0.00449 0.00005 -0.01033 -0.00923 29 5PX 0.02271 0.07389 0.40241 -0.08384 0.53686 30 5PY -0.23287 -0.06969 -0.06013 0.04163 0.19321 31 5PZ 0.00837 0.12685 -0.05388 0.07076 0.17614 32 6PX -0.00935 -0.06719 -0.04446 -0.08056 0.51728 33 6PY 0.06762 -0.02658 0.22041 0.05327 0.20692 34 6PZ -0.06972 0.12472 0.15414 -0.03379 0.19899 35 7D 0 -0.07245 -0.07481 0.09790 -0.03049 -0.01262 36 7D+1 0.01573 0.09017 0.01027 -0.05076 -0.15027 37 7D-1 0.16002 0.00769 0.15714 0.13870 0.04023 38 7D+2 -0.01304 -0.11826 -0.08877 0.02007 0.05472 39 7D-2 -0.03873 -0.02044 0.02600 -0.01674 -0.10585 40 8D 0 0.11235 0.14323 -0.16819 0.04734 0.00606 41 8D+1 -0.02791 -0.13299 -0.01167 0.09057 0.26967 42 8D-1 -0.24641 -0.00651 -0.26019 -0.25630 -0.09200 43 8D+2 0.02783 0.20028 0.14960 -0.02738 -0.07998 44 8D-2 0.04693 0.02750 -0.03999 0.03764 0.20519 45 3 Cu 1S 0.02928 -0.04147 0.00452 0.04539 0.09555 46 2S 0.06300 -0.06049 0.00621 0.04382 0.16252 47 3S 0.00139 1.36870 -0.17288 -1.94806 -2.24051 48 4PX -0.00123 -0.00421 0.00792 0.00495 0.00095 49 4PY 0.00113 0.01114 0.00278 -0.01334 0.00594 50 4PZ -0.00252 -0.00472 0.00162 0.00106 0.01304 51 5PX 0.07570 0.18092 0.11586 -0.12012 -0.04945 52 5PY -0.09414 -0.35405 0.11782 0.28450 0.25125 53 5PZ -0.06765 0.22756 -0.00416 -0.28047 -0.40834 54 6PX -0.00692 -0.09068 0.10924 -0.06185 -0.05813 55 6PY -0.00459 0.13854 0.03964 0.20623 0.26507 56 6PZ -0.00032 0.24072 -0.01951 -0.46746 -0.34536 57 7D 0 0.15327 0.14759 -0.02414 0.07433 0.08777 58 7D+1 -0.04856 -0.07842 -0.02989 -0.00925 0.04910 59 7D-1 -0.00995 0.08933 -0.05195 -0.04880 -0.06482 60 7D+2 -0.06259 0.04790 0.12979 -0.03667 0.11974 61 7D-2 -0.09947 0.01635 -0.07945 -0.03715 0.12622 62 8D 0 -0.24319 -0.22985 0.04584 -0.13651 -0.13933 63 8D+1 0.07400 0.13397 0.07851 0.00894 -0.09731 64 8D-1 0.01839 -0.15258 0.10183 0.09563 0.14984 65 8D+2 0.09161 -0.07664 -0.20956 0.06259 -0.20577 66 8D-2 0.14599 -0.02433 0.12347 0.06428 -0.23143 67 4 Cu 1S 0.01728 -0.00713 0.03794 -0.03854 -0.05658 68 2S 0.02167 -0.01694 0.06252 -0.09283 -0.08361 69 3S -0.06733 -0.08608 -1.10479 0.04422 1.83050 70 4PX -0.00034 0.00133 -0.00647 0.00054 0.00110 71 4PY 0.00032 -0.00136 -0.00662 -0.00924 0.00927 72 4PZ -0.00631 0.00405 -0.00299 -0.00920 -0.01230 73 5PX 0.19874 0.02735 0.12481 -0.02251 -0.35482 74 5PY -0.14451 -0.03470 0.35645 0.05974 -0.19641 75 5PZ 0.02478 0.13483 0.10494 0.11478 -0.05865 76 6PX -0.02952 0.07419 0.15068 -0.05071 -0.35876 77 6PY 0.05996 0.00631 -0.15814 0.08184 -0.19980 78 6PZ -0.08501 0.10705 -0.15141 0.00682 0.05222 79 7D 0 -0.09798 -0.11084 -0.04024 -0.02239 0.04509 80 7D+1 -0.11229 -0.00059 0.16361 -0.09182 0.04537 81 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101 7D 0 0.04394 0.10616 0.11447 -0.03558 -0.13534 102 7D+1 -0.03721 0.06376 -0.04814 0.06389 0.09216 103 7D-1 0.15767 0.02152 0.00667 -0.00695 0.09322 104 7D+2 -0.07402 -0.07263 0.07017 0.05573 -0.03815 105 7D-2 -0.04356 0.16263 0.05630 0.04044 0.07609 106 8D 0 -0.05062 -0.17756 -0.18647 0.05303 0.21134 107 8D+1 0.05543 -0.10456 0.08413 -0.10918 -0.16048 108 8D-1 -0.22000 -0.04070 -0.02232 0.03354 -0.13515 109 8D+2 0.11112 0.12845 -0.13059 -0.08345 0.10501 110 8D-2 0.07690 -0.26415 -0.09282 -0.05561 -0.11859 111 6 Cu 1S 0.05036 -0.03503 0.00041 -0.10442 0.02501 112 2S 0.15481 -0.05554 0.00094 -0.18023 0.04755 113 3S -1.86585 0.82593 -0.01844 4.44470 -1.13935 114 4PX -0.03520 -0.00132 -0.02248 0.01226 -0.00272 115 4PY 0.05622 0.00367 -0.01350 -0.01996 0.00497 116 4PZ 0.03906 -0.02877 -0.00080 -0.01040 0.00082 117 5PX 0.09152 0.31711 0.93650 0.43545 -0.14819 118 5PY -0.14420 -0.57440 0.56385 -0.68586 0.22604 119 5PZ -0.24968 0.87964 0.03106 -0.38777 0.17982 120 6PX 0.08715 -0.15793 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-0.27109 0.08362 160 4PZ -0.12158 -0.00256 0.00110 -0.11298 0.02441 161 5PX -0.08955 -0.09893 -0.78754 0.15957 -0.02886 162 5PY 0.11712 0.21070 -0.47768 -0.27514 0.11671 163 5PZ 0.60946 -0.75642 -0.02671 0.06327 -0.07409 164 9 O 1S -0.00992 -0.00574 -0.00002 0.01018 -0.00450 165 2S 0.02669 0.07935 -0.00008 0.02743 0.00770 166 3S -0.07945 0.00081 -0.00031 0.07801 -0.03345 167 4PX -0.01152 -0.06946 -0.38018 0.16207 -0.03848 168 4PY 0.00292 0.13483 -0.22933 -0.28240 0.11602 169 4PZ 0.32876 -0.29493 -0.01276 0.19555 -0.08599 170 5PX -0.06904 0.17546 0.79315 -0.04250 -0.00892 171 5PY 0.14257 -0.33250 0.48039 0.10056 -0.09455 172 5PZ -0.58788 0.64314 0.02693 -0.39513 0.18448 141 142 143 144 145 V V V V V EIGENVALUES -- 0.86169 0.86747 0.87056 0.87939 0.88075 1 1 Cu 1S -0.10118 0.10552 0.06370 -0.04978 0.04102 2 2S -0.16419 0.17836 0.10007 -0.06413 0.03321 3 3S 2.78444 -2.48131 -1.30875 0.92404 -1.19183 4 4PX 0.00477 0.00061 0.01526 0.00443 0.00597 5 4PY -0.00977 -0.00048 0.00383 -0.00833 0.00453 6 4PZ 0.00898 -0.01374 0.00409 0.00567 -0.00918 7 5PX 0.30880 -0.22192 -0.02731 0.10284 -0.25434 8 5PY 0.42652 -0.35837 -0.21935 0.20348 -0.21415 9 5PZ -0.26935 0.30704 0.27788 -0.23589 0.23863 10 6PX 0.15374 -0.34319 0.09233 0.39194 0.28711 11 6PY 0.45747 -0.31763 -0.08855 -0.10479 0.19276 12 6PZ -0.36170 0.22254 0.16949 0.31251 0.22794 13 7D 0 -0.04031 0.05972 0.06369 0.06817 0.04119 14 7D+1 -0.19556 -0.02273 -0.06799 0.14592 -0.15827 15 7D-1 0.13157 -0.12305 0.06059 -0.11826 -0.00368 16 7D+2 0.05593 0.13720 -0.01467 0.10969 -0.11989 17 7D-2 -0.07644 0.05767 0.11237 -0.02866 -0.19971 18 8D 0 0.05894 -0.08465 -0.13576 -0.10611 -0.04998 19 8D+1 0.34006 0.02594 0.09944 -0.25712 0.29016 20 8D-1 -0.24352 0.24002 -0.08468 0.20460 -0.00432 21 8D+2 -0.08214 -0.23510 0.04042 -0.19573 0.20473 22 8D-2 0.18077 -0.12273 -0.18978 0.04438 0.34478 23 2 Cu 1S 0.05432 -0.03420 -0.10015 -0.07366 -0.00746 24 2S 0.08884 -0.06967 -0.16583 -0.08728 -0.01260 25 3S -1.23609 0.83585 2.43391 1.75098 -0.33808 26 4PX 0.00320 -0.00267 -0.01062 -0.01419 0.00219 27 4PY 0.01479 -0.00504 0.00634 0.00172 -0.01127 28 4PZ -0.00895 0.01099 -0.00176 -0.00432 0.00238 29 5PX -0.21953 0.08174 0.48039 0.56880 0.02058 30 5PY 0.03028 -0.04967 0.20897 0.05350 -0.00768 31 5PZ -0.24612 0.14315 0.06726 0.13959 0.00528 32 6PX -0.20659 0.29478 0.45180 -0.00063 -0.26499 33 6PY -0.00573 -0.01942 -0.05738 0.03626 -0.45284 34 6PZ -0.08081 0.08727 0.30125 -0.27008 0.29498 35 7D 0 0.03454 0.14293 -0.06955 0.13707 -0.03351 36 7D+1 -0.09290 -0.00623 -0.07239 0.08064 -0.06440 37 7D-1 0.01890 0.17119 0.12096 -0.20663 -0.11842 38 7D+2 0.03456 0.02525 -0.15310 -0.04398 0.01525 39 7D-2 0.15328 -0.05034 0.04453 0.08927 0.11283 40 8D 0 -0.08842 -0.24134 0.11459 -0.24278 0.05034 41 8D+1 0.12428 0.05133 0.12536 -0.13000 0.10267 42 8D-1 -0.01866 -0.31034 -0.22261 0.36598 0.21269 43 8D+2 -0.08083 -0.04601 0.27355 0.07613 -0.02420 44 8D-2 -0.24434 0.07699 -0.02840 -0.15843 -0.20303 45 3 Cu 1S 0.02245 -0.00352 0.08341 0.01198 -0.11162 46 2S 0.03985 -0.01000 0.15990 0.01591 -0.15777 47 3S -0.46199 0.05061 -1.95048 -0.31389 2.45903 48 4PX -0.01749 0.00992 0.00335 0.00736 -0.00348 49 4PY -0.00674 0.00461 -0.00512 0.00156 0.01089 50 4PZ 0.00132 0.00133 -0.00079 0.00164 -0.01150 51 5PX -0.13592 0.14149 -0.04686 -0.06008 0.20809 52 5PY -0.01763 0.08279 0.17163 0.04006 -0.50762 53 5PZ -0.10300 0.01689 -0.25164 -0.06419 0.52956 54 6PX -0.12773 -0.09425 -0.18104 0.50892 0.14679 55 6PY -0.00416 -0.08399 0.36807 0.30105 -0.13545 56 6PZ -0.06918 0.00463 -0.41683 0.05541 -0.08457 57 7D 0 0.01465 0.05496 -0.15203 -0.02569 0.00008 58 7D+1 -0.02783 0.16758 0.16583 -0.10808 0.03078 59 7D-1 -0.01199 0.11792 -0.16975 -0.04404 -0.02429 60 7D+2 -0.10244 -0.06523 0.06595 -0.10097 0.10710 61 7D-2 0.12481 -0.01326 0.14564 0.05519 0.19195 62 8D 0 -0.02907 -0.09138 0.25629 0.04063 0.00663 63 8D+1 0.00663 -0.26657 -0.30449 0.17399 -0.04761 64 8D-1 0.01138 -0.19968 0.32603 0.07226 0.02565 65 8D+2 0.16620 0.14660 -0.12431 0.16982 -0.18773 66 8D-2 -0.20570 0.00009 -0.28016 -0.09143 -0.33343 67 4 Cu 1S -0.08711 0.04989 -0.10003 0.06857 0.00823 68 2S -0.13309 0.09166 -0.16242 0.07829 0.00617 69 3S 2.39636 -1.30648 2.39789 -1.56005 -0.73831 70 4PX 0.01443 -0.00415 0.00099 -0.00838 0.00597 71 4PY -0.00126 -0.00128 0.01296 -0.01076 -0.01136 72 4PZ 0.00699 -0.01249 -0.00247 0.00093 0.00288 73 5PX -0.35058 0.12513 -0.46034 0.35389 0.07612 74 5PY -0.36149 0.16902 -0.28843 0.42494 0.08022 75 5PZ 0.20450 -0.11236 -0.05711 -0.02595 -0.00630 76 6PX -0.35418 0.19134 -0.23254 -0.11747 0.44883 77 6PY -0.30604 0.34871 -0.37398 -0.04719 -0.05988 78 6PZ 0.06450 -0.09969 0.19816 0.19081 0.43073 79 7D 0 -0.04317 -0.09773 -0.07570 -0.14406 -0.02380 80 7D+1 -0.02750 0.16818 0.00379 -0.13413 0.14360 81 7D-1 -0.00901 -0.09338 0.07723 0.21505 0.02805 82 7D+2 -0.17345 -0.00429 0.11745 -0.06303 0.05354 83 7D-2 -0.06858 0.01745 -0.14312 -0.03450 0.03590 84 8D 0 0.08478 0.17510 0.13048 0.26013 0.03835 85 8D+1 0.03799 -0.28074 0.01664 0.24351 -0.24678 86 8D-1 -0.02316 0.20068 -0.13376 -0.37415 -0.03409 87 8D+2 0.28084 0.00935 -0.16398 0.11308 -0.09901 88 8D-2 0.14583 -0.03655 0.27302 0.06244 -0.06456 89 5 Cu 1S 0.10747 -0.11446 0.04429 0.04225 0.04832 90 2S 0.18175 -0.19314 0.06806 0.05612 0.04308 91 3S -2.76081 2.57442 -0.88727 -0.79205 -1.27258 92 4PX -0.00912 -0.00044 -0.01248 -0.00263 -0.00601 93 4PY 0.00911 0.00020 -0.01095 0.00781 0.00074 94 4PZ -0.00299 0.01210 0.00329 -0.00443 -0.01062 95 5PX 0.43385 -0.38004 0.08172 0.12973 0.28850 96 5PY -0.07695 0.06807 -0.11909 -0.07124 0.05308 97 5PZ 0.37178 -0.40247 0.22388 0.23048 0.33195 98 6PX 0.43402 -0.37032 -0.08218 0.25253 -0.32217 99 6PY -0.22315 -0.03075 -0.17468 0.43213 -0.06796 100 6PZ 0.39957 -0.30943 0.13310 -0.24632 0.08647 101 7D 0 -0.07077 -0.10354 0.05756 -0.04719 0.06400 102 7D+1 0.05631 -0.09923 -0.02787 -0.00254 0.02258 103 7D-1 -0.24039 0.01629 0.06127 0.15021 0.12151 104 7D+2 0.04780 0.01484 0.11855 0.12003 -0.11684 105 7D-2 0.07837 -0.13526 -0.00546 -0.08029 -0.23916 106 8D 0 0.11777 0.16547 -0.12235 0.06608 -0.09778 107 8D+1 -0.12764 0.19693 0.05435 0.00958 -0.04415 108 8D-1 0.43467 -0.05447 -0.07731 -0.25422 -0.23372 109 8D+2 -0.10279 -0.00984 -0.20114 -0.20529 0.20148 110 8D-2 -0.16688 0.24272 0.02069 0.14775 0.41660 111 6 Cu 1S 0.00974 -0.00389 0.00732 -0.00022 -0.01680 112 2S 0.01861 -0.00783 0.01918 -0.00066 -0.01896 113 3S -0.48136 0.21614 -0.40494 -0.00239 0.87889 114 4PX -0.00136 0.00500 -0.00181 -0.01919 -0.00720 115 4PY 0.00149 0.00078 0.00658 -0.01161 0.01231 116 4PZ -0.00002 0.00117 -0.00457 -0.00084 -0.01424 117 5PX -0.07506 -0.21419 -0.02595 0.94601 0.52635 118 5PY 0.10789 -0.13082 -0.14787 0.55701 -0.88747 119 5PZ 0.08046 -0.09944 0.34124 0.03360 0.58072 120 6PX -0.05121 0.08388 0.01021 0.31622 0.09190 121 6PY -0.01814 0.04102 0.01812 0.19281 -0.18023 122 6PZ -0.09904 0.05444 -0.09315 0.01067 0.48259 123 7D 0 -0.07686 -0.02660 0.07242 -0.00093 0.07596 124 7D+1 -0.20658 -0.08980 -0.02289 0.00862 -0.02402 125 7D-1 -0.04147 -0.04907 -0.01995 0.01270 0.03158 126 7D+2 -0.08701 -0.02733 -0.01878 -0.13471 0.05041 127 7D-2 0.13084 0.03542 -0.02397 0.07408 0.10104 128 8D 0 0.14670 0.03512 -0.08861 0.00411 -0.11860 129 8D+1 0.39720 0.12384 0.04343 0.00468 0.01267 130 8D-1 0.06389 0.07805 0.00605 -0.01033 -0.00511 131 8D+2 0.18098 0.03627 0.02709 0.21238 -0.09182 132 8D-2 -0.23974 -0.05723 0.03979 -0.12035 -0.19041 133 7 Cu 1S 0.00614 -0.00288 0.00770 -0.00006 -0.00242 134 2S 0.00188 -0.00110 0.00391 -0.00022 0.01207 135 3S -0.37338 0.16372 -0.38137 -0.00344 0.53472 136 4PX 0.00407 -0.00105 0.00087 0.00025 -0.00158 137 4PY -0.00033 0.00022 -0.00157 0.00003 0.00270 138 4PZ -0.00056 0.00076 -0.00197 0.00006 0.00204 139 5PX -0.15082 -0.09564 -0.02732 0.48912 0.25335 140 5PY 0.03670 -0.07099 -0.05868 0.29256 -0.43023 141 5PZ 0.04141 -0.07033 0.23714 0.01897 0.31658 142 6PX 0.09291 -0.03658 -0.03457 -0.19595 -0.03174 143 6PY 0.08333 -0.04142 0.04190 -0.11904 0.07439 144 6PZ 0.09224 -0.02694 0.03039 -0.00586 -0.30533 145 7D 0 0.01981 0.05322 -0.14695 -0.00141 0.04780 146 7D+1 0.01972 0.21136 -0.00381 0.04258 0.05084 147 7D-1 0.01937 0.07724 0.13957 0.02677 -0.10006 148 7D+2 -0.01892 0.11775 0.10586 0.06402 -0.03377 149 7D-2 -0.02225 -0.11513 0.10894 -0.02986 -0.05038 150 8D 0 -0.01897 -0.09077 0.24924 0.00178 -0.13045 151 8D+1 0.01043 -0.37236 0.01595 -0.09818 -0.08678 152 8D-1 -0.02299 -0.13080 -0.26081 -0.06386 0.17694 153 8D+2 0.04523 -0.21859 -0.20117 -0.06936 0.04618 154 8D-2 0.01950 0.21180 -0.20588 0.02884 0.06035 155 8 C 1S 0.00626 -0.00303 0.00811 0.00006 0.00062 156 2S -0.17982 0.07466 -0.14984 0.00370 0.38641 157 3S 0.37707 -0.15079 0.28231 -0.00968 -0.99768 158 4PX -0.02106 0.00535 -0.01146 0.00367 0.06105 159 4PY 0.03584 -0.01283 0.01925 0.00131 -0.09739 160 4PZ 0.01278 -0.00386 -0.00111 -0.00027 -0.06462 161 5PX -0.09175 0.12747 -0.01361 -0.45922 -0.04805 162 5PY 0.00524 0.04001 0.10988 -0.27907 0.08925 163 5PZ -0.04353 0.03990 -0.12993 -0.02165 -0.32666 164 9 O 1S -0.00203 0.00109 -0.00364 -0.00007 -0.00445 165 2S 0.00507 -0.00471 0.02141 0.00097 0.05525 166 3S -0.01782 0.00781 -0.01419 -0.00028 0.06842 167 4PX -0.07928 0.08131 -0.01142 -0.10299 0.02206 168 4PY 0.01496 0.02084 0.06246 -0.06188 -0.04149 169 4PZ -0.04599 0.03056 -0.07441 -0.00590 0.01781 170 5PX 0.12427 -0.15208 -0.00669 0.28807 0.01918 171 5PY 0.02896 -0.06507 -0.08323 0.17260 -0.02519 172 5PZ 0.09697 -0.06371 0.16453 0.01524 0.04745 146 147 148 149 150 V V V V V EIGENVALUES -- 0.97843 0.97913 0.98758 1.04296 1.04403 1 1 Cu 1S -0.01265 -0.00184 -0.00898 -0.04330 -0.13053 2 2S -0.02729 -0.01113 -0.03442 -0.10047 -0.28333 3 3S 0.14589 0.01488 0.08403 0.37036 1.42006 4 4PX -0.00673 0.00640 -0.00505 0.00668 -0.00586 5 4PY 0.01056 -0.01091 0.00891 -0.00311 -0.01128 6 4PZ 0.00889 -0.01072 0.00348 0.00551 0.00433 7 5PX 0.06088 -0.19309 -0.35933 -0.04644 0.08314 8 5PY -0.04928 0.22065 0.32468 0.05154 0.19254 9 5PZ -0.05830 0.24919 0.38388 -0.03663 -0.12809 10 6PX -0.00092 -0.02747 -0.19777 -0.03078 0.11499 11 6PY 0.04133 0.02035 0.13699 0.10532 0.23299 12 6PZ 0.03262 -0.00002 0.12220 -0.07993 -0.16547 13 7D 0 0.10044 0.19434 0.04687 -0.05031 0.02145 14 7D+1 0.08212 -0.03397 -0.12287 -0.01444 0.06246 15 7D-1 0.10138 0.09416 -0.00666 0.11901 0.18108 16 7D+2 -0.13343 0.02032 0.11568 0.05735 0.07947 17 7D-2 0.11813 0.09303 -0.04830 0.02316 -0.15059 18 8D 0 -0.22026 -0.39432 -0.13218 0.09663 -0.03979 19 8D+1 -0.15632 0.06924 0.29064 0.03380 -0.10302 20 8D-1 -0.20716 -0.18903 0.02022 -0.24553 -0.38502 21 8D+2 0.25846 -0.03959 -0.28051 -0.10854 -0.14579 22 8D-2 -0.24245 -0.19575 0.08408 -0.03874 0.31810 23 2 Cu 1S -0.00373 0.00084 0.02586 0.11450 0.08345 24 2S -0.00763 -0.01374 0.01778 0.24764 0.17766 25 3S 0.09129 -0.13242 -0.67489 -1.26840 -0.97871 26 4PX -0.01001 -0.00097 0.00858 0.00999 0.00691 27 4PY 0.01561 0.00798 0.00417 0.00742 -0.00225 28 4PZ 0.01350 0.00617 0.00230 0.00105 0.00847 29 5PX 0.08284 -0.20329 -0.63700 -0.20040 -0.15586 30 5PY -0.08915 0.11910 0.43934 -0.11206 -0.01017 31 5PZ -0.08981 0.08069 0.24023 -0.02348 -0.11140 32 6PX -0.04110 -0.03131 -0.09946 -0.25121 -0.18056 33 6PY 0.05230 0.05165 0.09576 -0.11689 0.03187 34 6PZ 0.03417 0.00457 -0.08792 -0.04716 -0.08687 35 7D 0 -0.06037 0.18178 -0.15533 -0.09379 0.00020 36 7D+1 0.08316 -0.12013 -0.03090 0.08144 0.14847 37 7D-1 0.02460 0.02568 -0.06832 0.01756 0.00503 38 7D+2 -0.10301 0.16258 0.08599 0.12231 0.09580 39 7D-2 0.01770 0.02724 -0.14475 0.15170 0.01250 40 8D 0 0.13477 -0.35916 0.34113 0.18693 -0.00232 41 8D+1 -0.15716 0.25455 0.07075 -0.17377 -0.30426 42 8D-1 -0.03778 -0.03887 0.16038 -0.00774 0.00827 43 8D+2 0.19144 -0.35790 -0.22081 -0.24871 -0.19324 44 8D-2 -0.01832 -0.04045 0.32309 -0.31786 -0.03784 45 3 Cu 1S -0.00006 0.00648 0.03555 -0.15196 0.00597 46 2S -0.00106 -0.00025 0.03350 -0.32279 0.01221 47 3S -0.01361 -0.09869 -0.80741 1.76428 -0.07531 48 4PX 0.00048 -0.00994 0.00428 -0.00222 0.00802 49 4PY -0.00135 0.01478 -0.01012 0.00781 0.00386 50 4PZ -0.00076 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160 V V V V V EIGENVALUES -- 1.24953 1.24973 1.27945 1.28299 1.32907 1 1 Cu 1S -0.00083 -0.02824 -0.00135 -0.00029 0.02051 2 2S -0.00692 -0.07023 -0.00633 -0.00097 0.10239 3 3S -0.16193 -0.45005 0.00273 0.12442 0.74610 4 4PX -0.01410 0.01957 -0.00259 0.01333 0.01516 5 4PY 0.00069 0.00914 -0.00895 -0.02322 -0.00736 6 4PZ -0.01962 -0.01712 -0.01061 -0.01134 0.02110 7 5PX 0.02817 -0.28786 -0.03628 -0.23507 -0.19283 8 5PY -0.03954 -0.17230 0.15651 0.44988 0.46926 9 5PZ 0.19284 0.33292 0.13865 0.21703 -0.44719 10 6PX -0.05884 0.09950 0.02315 0.14435 0.56408 11 6PY -0.02655 -0.03540 -0.08981 -0.21899 -0.20711 12 6PZ -0.06586 -0.05885 -0.08245 -0.15580 0.25264 13 7D 0 0.05043 0.05905 0.06318 0.13272 -0.05797 14 7D+1 -0.06067 -0.26557 -0.01420 -0.03124 0.03597 15 7D-1 -0.03584 -0.05175 -0.01326 0.01106 0.07289 16 7D+2 -0.03355 -0.09664 0.07697 0.22090 0.12978 17 7D-2 -0.02317 0.03183 -0.01177 0.03170 0.07133 18 8D 0 -0.12126 -0.15028 -0.17399 -0.34690 0.15044 19 8D+1 0.15888 0.68259 0.03214 0.07974 -0.13796 20 8D-1 0.09245 0.12918 0.02574 -0.02784 -0.20000 21 8D+2 0.08398 0.25355 -0.19816 -0.59059 -0.40581 22 8D-2 0.05993 -0.07951 0.01842 -0.07982 -0.20872 23 2 Cu 1S -0.00254 0.02810 -0.00467 0.00006 0.03388 24 2S -0.01012 0.07003 -0.01225 -0.00755 0.15985 25 3S -0.18120 0.41064 -0.11388 -0.16398 1.21879 26 4PX 0.00788 -0.02622 -0.00711 -0.00173 -0.01699 27 4PY -0.01586 -0.00306 0.01577 0.01873 0.00513 28 4PZ 0.01620 0.00435 0.02138 0.00498 -0.01534 29 5PX -0.16370 0.46954 0.11932 0.02498 0.63143 30 5PY 0.08372 -0.00224 -0.36391 -0.28493 0.20255 31 5PZ -0.08985 -0.01542 -0.33892 -0.18720 0.51392 32 6PX 0.01244 -0.09179 -0.10702 -0.07032 0.07443 33 6PY -0.07527 0.03699 0.17632 0.12721 -0.08269 34 6PZ 0.05276 0.08971 0.17892 0.07927 -0.43373 35 7D 0 -0.02669 0.13269 0.06224 0.01282 0.00856 36 7D+1 0.03422 -0.00956 0.10364 0.05290 -0.09984 37 7D-1 0.06672 -0.17866 0.15035 0.10605 -0.12780 38 7D+2 0.06705 -0.18810 -0.08710 -0.05661 -0.05877 39 7D-2 -0.04555 0.03710 0.10397 0.08396 0.01008 40 8D 0 0.06637 -0.34403 -0.15326 -0.04686 -0.03643 41 8D+1 -0.08158 0.02503 -0.27435 -0.13790 0.28655 42 8D-1 -0.17475 0.46638 -0.39751 -0.28345 0.43239 43 8D+2 -0.17411 0.48220 0.23331 0.13918 0.17538 44 8D-2 0.10917 -0.09858 -0.27438 -0.22293 -0.02639 45 3 Cu 1S 0.02948 -0.01875 0.00381 0.00031 -0.00392 46 2S 0.07206 -0.04611 0.01671 -0.00073 -0.01819 47 3S 0.35581 -0.24262 0.20628 -0.02454 -0.14129 48 4PX 0.00415 0.02249 0.01136 -0.01024 0.02761 49 4PY 0.02256 -0.00225 -0.01692 -0.00437 0.01296 50 4PZ -0.01045 0.00981 -0.02472 0.00038 0.00481 51 5PX 0.06723 -0.19333 -0.22031 0.05028 -0.41025 52 5PY -0.32340 0.15278 0.29425 0.01033 -0.16900 53 5PZ 0.20867 -0.15273 0.47395 -0.02532 -0.12430 54 6PX -0.00641 0.08862 0.13764 -0.05741 0.60742 55 6PY 0.09976 -0.02559 -0.21559 -0.01562 0.34521 56 6PZ 0.02125 -0.00693 -0.19391 0.00249 0.09993 57 7D 0 -0.06890 0.05379 -0.26614 0.01074 0.03342 58 7D+1 0.01944 0.02966 0.06850 -0.02721 0.11138 59 7D-1 0.08724 -0.03975 -0.03538 -0.00977 0.04333 60 7D+2 0.14663 -0.07218 -0.03166 -0.00539 0.06935 61 7D-2 0.17248 -0.14499 -0.03593 0.00745 -0.07506 62 8D 0 0.17724 -0.13861 0.70143 -0.03152 -0.09784 63 8D+1 -0.05123 -0.07373 -0.18132 0.05731 -0.30718 64 8D-1 -0.22114 0.09980 0.09079 0.01711 -0.12128 65 8D+2 -0.37364 0.19371 0.08155 0.02433 -0.18660 66 8D-2 -0.44964 0.37062 0.09174 -0.02388 0.21139 67 4 Cu 1S -0.02445 -0.00699 -0.00434 0.00003 -0.03513 68 2S -0.06422 -0.01437 -0.00838 0.00714 -0.16690 69 3S -0.46489 0.01876 -0.06938 0.17124 -1.26266 70 4PX -0.01263 -0.01108 -0.01072 0.01635 -0.01104 71 4PY -0.02476 0.00825 0.01163 -0.01285 -0.01682 72 4PZ -0.00331 -0.01898 0.01989 -0.00583 0.00775 73 5PX 0.25110 0.05908 0.24997 -0.28505 0.68122 74 5PY 0.43060 -0.02544 -0.25314 0.19630 0.43188 75 5PZ 0.08139 0.11875 -0.29721 0.19272 -0.31407 76 6PX 0.01561 -0.04351 -0.10972 0.09288 -0.18742 77 6PY -0.09867 0.02047 0.15041 -0.13913 0.12296 78 6PZ -0.07308 -0.10019 0.16945 -0.10054 0.33338 79 7D 0 -0.16010 -0.01664 0.00457 0.02122 -0.06977 80 7D+1 -0.11974 0.02707 -0.15852 0.11736 -0.14076 81 7D-1 0.15563 0.03360 -0.02472 -0.00152 0.02972 82 7D+2 -0.08287 0.02044 0.14343 -0.13645 0.01713 83 7D-2 0.15830 0.01046 -0.02165 0.01492 0.07126 84 8D 0 0.41351 0.04842 0.00043 -0.04518 0.22316 85 8D+1 0.31192 -0.06585 0.41644 -0.31516 0.45690 86 8D-1 -0.40539 -0.08268 0.06448 0.00765 -0.12583 87 8D+2 0.20983 -0.04603 -0.37952 0.35941 -0.06221 88 8D-2 -0.40538 -0.02367 0.06131 -0.03000 -0.20944 89 5 Cu 1S 0.02917 0.01415 -0.00225 0.00185 -0.01465 90 2S 0.06827 0.03768 -0.00679 0.00604 -0.07512 91 3S 0.32628 0.30414 0.01151 -0.11327 -0.55555 92 4PX 0.01759 -0.00416 0.00923 -0.01469 0.01058 93 4PY 0.01366 -0.00951 0.00070 0.02281 0.02095 94 4PZ 0.01328 0.02301 -0.00734 0.01251 -0.01769 95 5PX -0.21332 -0.07860 -0.11466 0.29029 0.05819 96 5PY -0.12221 0.01104 0.05078 -0.43105 -0.47152 97 5PZ -0.29602 -0.30925 0.09912 -0.23391 0.38903 98 6PX 0.03555 -0.04855 0.05793 -0.13794 0.27375 99 6PY 0.10445 0.00565 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5PZ -0.00748 0.00418 0.00381 -0.00912 0.01594 120 6PX -0.01409 -0.03357 0.00280 0.01600 0.22271 121 6PY -0.00628 -0.02468 -0.00945 0.00886 0.13110 122 6PZ 0.00729 0.00130 -0.00614 0.00634 0.01071 123 7D 0 0.13590 -0.04488 -0.09562 0.02911 -0.00375 124 7D+1 0.10534 0.14991 0.00106 0.11351 -0.09906 125 7D-1 -0.03636 0.12852 0.08080 0.04756 -0.06389 126 7D+2 -0.02934 0.16961 0.07485 0.05854 0.13671 127 7D-2 -0.19540 -0.00965 0.08773 -0.06195 -0.06788 128 8D 0 -0.37626 0.12492 0.27112 -0.08262 0.01081 129 8D+1 -0.29648 -0.41383 -0.00193 -0.32317 0.28607 130 8D-1 0.10833 -0.35932 -0.23106 -0.13503 0.18484 131 8D+2 0.07960 -0.46999 -0.21178 -0.16619 -0.39855 132 8D-2 0.53691 0.02849 -0.24743 0.17559 0.19755 133 7 Cu 1S 0.00630 -0.00179 -0.00719 0.00055 -0.00115 134 2S 0.01218 -0.00357 -0.01464 0.00097 -0.00243 135 3S -0.03501 0.00695 0.05161 -0.00637 0.00768 136 4PX -0.00056 0.00004 -0.00007 0.00069 -0.03628 137 4PY 0.00109 -0.00054 0.00059 0.00019 -0.02186 138 4PZ 0.00078 -0.00019 -0.00140 0.00022 -0.00127 139 5PX -0.00127 -0.00902 0.00162 -0.03140 1.51639 140 5PY -0.00905 -0.00125 -0.02377 -0.01243 0.91173 141 5PZ 0.01123 -0.00315 0.01885 -0.00577 0.05085 142 6PX -0.00266 0.01088 0.00477 -0.02465 -0.93307 143 6PY 0.01636 0.00239 -0.01874 -0.00819 -0.56199 144 6PZ 0.01680 -0.00588 -0.00235 -0.00548 -0.03512 145 7D 0 0.05647 -0.02406 0.17522 -0.05773 0.01046 146 7D+1 0.04922 0.04564 0.00407 -0.23286 0.17719 147 7D-1 -0.04419 0.05897 -0.15550 -0.09316 0.11655 148 7D+2 -0.01023 0.05527 -0.13425 -0.12586 -0.26586 149 7D-2 -0.05359 -0.00091 -0.15493 0.13203 0.13365 150 8D 0 -0.15424 0.06519 -0.48278 0.16083 -0.03005 151 8D+1 -0.13151 -0.12591 -0.01329 0.65185 -0.50566 152 8D-1 0.11499 -0.15906 0.43375 0.25991 -0.33265 153 8D+2 0.02913 -0.15334 0.37369 0.35435 0.76076 154 8D-2 0.15096 0.00219 0.43065 -0.37144 -0.38254 155 8 C 1S -0.00429 0.00161 0.00097 -0.00010 -0.00004 156 2S 0.04713 -0.01817 -0.02285 0.00540 0.00160 157 3S -0.03163 0.01367 -0.00494 -0.00224 -0.00626 158 4PX -0.01384 0.02818 0.00472 0.01312 0.06134 159 4PY 0.04052 -0.00026 0.00167 0.00636 0.03860 160 4PZ 0.03463 -0.01290 -0.01738 0.00363 0.00179 161 5PX 0.00358 0.00117 -0.00638 -0.02427 -0.17970 162 5PY -0.00328 0.00459 -0.00692 -0.01430 -0.11283 163 5PZ 0.01292 -0.00306 0.01612 -0.00494 -0.00543 164 9 O 1S 0.00042 -0.00021 0.00059 -0.00011 0.00003 165 2S -0.01094 0.00423 -0.01307 0.00283 -0.00074 166 3S 0.03134 -0.01110 0.01917 -0.00419 0.00145 167 4PX -0.00134 -0.00118 -0.00227 -0.00593 -0.01437 168 4PY 0.00225 -0.00163 -0.00303 -0.00368 -0.00873 169 4PZ -0.00403 0.00240 0.00818 -0.00097 -0.00024 170 5PX -0.01281 -0.00433 -0.00123 0.01609 0.04122 171 5PY 0.01159 -0.00938 0.01624 0.00577 0.02667 172 5PZ -0.00575 0.00018 -0.01258 0.00172 0.00115 161 162 163 164 165 V V V V V EIGENVALUES -- 1.33125 1.34158 1.34352 1.35271 1.64131 1 1 Cu 1S -0.00089 0.01221 0.00249 0.00466 -0.11268 2 2S -0.05997 0.04279 0.00755 -0.04395 -0.23277 3 3S -0.80430 0.10567 0.02016 -0.82171 -0.37988 4 4PX 0.01920 0.00320 -0.01264 0.01937 0.00620 5 4PY 0.00867 0.00045 -0.00112 0.00349 0.00478 6 4PZ 0.00303 0.00935 -0.00783 -0.00520 0.00014 7 5PX -0.23623 0.14602 1.36473 -0.64669 -0.25109 8 5PY -0.64371 -0.39440 0.06346 0.17826 -0.20691 9 5PZ -0.08261 -0.58980 0.86732 0.53881 0.05398 10 6PX 0.18645 0.00009 -2.33241 0.43717 0.25154 11 6PY 0.35712 0.28149 -0.11547 -0.20105 0.29456 12 6PZ 0.47270 0.50801 -1.52784 -0.09928 0.03131 13 7D 0 -0.11589 -0.11748 0.13609 0.07627 -0.01664 14 7D+1 -0.06003 0.10370 0.07778 -0.15834 -0.05542 15 7D-1 0.00812 0.03174 -0.09220 0.02889 0.00194 16 7D+2 -0.09159 -0.08482 -0.06898 0.07107 -0.01739 17 7D-2 0.05133 0.04100 -0.15471 0.05787 0.02204 18 8D 0 0.33850 0.36188 -0.42636 -0.23009 0.05845 19 8D+1 0.19292 -0.31256 -0.24407 0.48719 0.17652 20 8D-1 -0.02577 -0.08697 0.29008 -0.08057 -0.01210 21 8D+2 0.31423 0.25276 0.21532 -0.20355 0.06001 22 8D-2 -0.13547 -0.11558 0.48496 -0.15891 -0.06682 23 2 Cu 1S 0.02514 0.00578 -0.00488 0.01927 -0.31470 24 2S 0.08262 0.03963 -0.01113 0.05534 -0.64956 25 3S 0.37291 0.55693 0.02817 0.08936 0.40054 26 4PX -0.00736 -0.00934 0.00118 -0.00349 0.00464 27 4PY -0.01961 0.00573 0.01151 -0.01433 -0.00723 28 4PZ 0.01333 -0.00006 -0.01162 0.01098 0.00403 29 5PX 0.19619 0.61293 -0.10588 0.27066 -0.22862 30 5PY 0.49056 -0.56413 -1.14355 0.04686 0.01083 31 5PZ -0.00060 -0.47249 1.17031 -0.32133 -0.33248 32 6PX 0.00902 -0.30767 0.20922 -0.23252 0.12916 33 6PY -0.58347 0.34761 1.92424 -0.15930 -0.24289 34 6PZ 0.26178 0.41001 -2.03716 0.39427 0.22900 35 7D 0 0.03913 0.08013 -0.10660 0.10235 -0.00568 36 7D+1 0.03755 0.08834 -0.15515 0.06516 0.04585 37 7D-1 -0.07806 0.04454 0.00887 -0.00138 0.01947 38 7D+2 0.00308 -0.15381 -0.03703 -0.04407 0.03456 39 7D-2 -0.12358 0.12465 0.16878 -0.01874 -0.01961 40 8D 0 -0.11449 -0.25063 0.33302 -0.29573 0.00784 41 8D+1 -0.09443 -0.26781 0.48597 -0.19807 -0.15280 42 8D-1 0.24946 -0.13139 -0.02844 0.01506 -0.05406 43 8D+2 -0.01206 0.46177 0.11429 0.14362 -0.10140 44 8D-2 0.34357 -0.37678 -0.52613 0.03843 0.05696 45 3 Cu 1S 0.04952 0.00038 0.00074 0.01112 -0.38310 46 2S 0.18655 -0.00171 0.00157 0.07724 -0.78295 47 3S 1.02609 -0.08280 -0.00603 1.00692 0.93973 48 4PX -0.00030 0.00731 0.01546 -0.00215 0.00213 49 4PY 0.00910 0.00244 0.00814 0.01054 -0.00203 50 4PZ -0.01676 0.00077 0.00178 -0.00813 -0.00228 51 5PX -0.10032 -0.11602 -1.45912 0.41595 0.00798 52 5PY -0.07605 0.05958 -0.76383 -0.85223 0.00262 53 5PZ 0.92227 0.03686 -0.16803 -0.05161 -0.29994 54 6PX 0.27226 0.05323 2.47981 -0.18011 0.11828 55 6PY -0.31332 -0.03881 1.30752 0.41592 -0.14519 56 6PZ -0.42745 -0.04115 0.29055 0.19822 -0.06511 57 7D 0 -0.19339 -0.01151 0.03677 0.11167 0.02438 58 7D+1 0.03567 0.04733 0.19188 -0.02916 0.01262 59 7D-1 0.03236 0.01823 0.08320 0.07606 -0.03322 60 7D+2 0.02790 -0.02231 0.11166 0.11034 -0.01462 61 7D-2 0.02371 -0.01342 -0.10484 0.13939 -0.01985 62 8D 0 0.59908 0.03764 -0.11438 -0.33489 -0.07803 63 8D+1 -0.12302 -0.12887 -0.59667 0.08128 -0.04330 64 8D-1 -0.07847 -0.04625 -0.25847 -0.21840 0.10553 65 8D+2 -0.09830 0.05740 -0.34832 -0.34721 0.03475 66 8D-2 -0.10199 0.04542 0.32641 -0.44392 0.04604 67 4 Cu 1S 0.01925 -0.01210 0.00341 0.01897 -0.29129 68 2S 0.05578 -0.05486 0.00739 0.04136 -0.60190 69 3S 0.18959 -0.51281 -0.02745 -0.16134 0.27950 70 4PX 0.01572 -0.00137 0.00772 0.01058 0.00228 71 4PY -0.00866 -0.01085 -0.00677 -0.01012 -0.00872 72 4PZ 0.01835 -0.00256 0.01261 0.01339 0.00455 73 5PX -0.36487 -0.22487 -0.77625 -0.12919 0.16515 74 5PY 0.12481 0.81182 0.68103 0.04860 0.24643 75 5PZ -0.18543 0.58328 -1.27128 -0.30410 -0.29176 76 6PX 0.36941 0.18487 1.31152 0.23603 0.05620 77 6PY -0.29883 -0.45022 -1.12190 -0.03150 -0.26644 78 6PZ 0.40232 -0.47980 2.21415 0.41946 0.26579 79 7D 0 0.02688 -0.05352 0.04738 0.06011 -0.02185 80 7D+1 -0.02699 0.09421 -0.13580 -0.06283 -0.04350 81 7D-1 -0.08190 0.10113 -0.13214 -0.05850 -0.01699 82 7D+2 -0.10877 -0.19016 -0.16393 -0.03715 -0.02834 83 7D-2 -0.02509 0.07768 0.00846 -0.00912 0.03093 84 8D 0 -0.08511 0.16590 -0.14816 -0.16829 0.06163 85 8D+1 0.05859 -0.28467 0.42455 0.17671 0.13918 86 8D-1 0.23267 -0.30936 0.41416 0.18036 0.06590 87 8D+2 0.30410 0.57353 0.51072 0.09436 0.08353 88 8D-2 0.06695 -0.23238 -0.02580 0.03102 -0.09431 89 5 Cu 1S -0.00029 -0.01102 -0.00191 0.00046 -0.08040 90 2S -0.06548 -0.03634 -0.00554 -0.06005 -0.16464 91 3S -0.91021 -0.06273 -0.01225 -0.85188 -0.47108 92 4PX -0.01664 0.00439 -0.00921 -0.01136 -0.00677 93 4PY -0.00793 0.00460 -0.01046 -0.01087 -0.00086 94 4PZ -0.00374 -0.00745 0.00547 -0.01152 -0.00116 95 5PX 0.71242 -0.30143 0.95924 0.06925 0.25382 96 5PY -0.27855 0.14924 1.15493 0.60136 0.05451 97 5PZ 0.05186 0.44677 -0.60418 0.74022 0.11997 98 6PX -0.45288 0.28773 -1.64988 -0.00913 -0.36241 99 6PY 0.13830 -0.01238 -1.98335 -0.45727 0.01799 100 6PZ 0.39110 -0.38664 1.06097 -0.24952 -0.05921 101 7D 0 -0.08921 0.11318 -0.11536 0.14665 0.00542 102 7D+1 0.07009 0.02965 0.04184 0.05490 0.03252 103 7D-1 0.03524 0.03820 0.14429 0.14706 0.03974 104 7D+2 0.07570 -0.07234 0.13076 0.01720 0.02123 105 7D-2 -0.11107 0.02557 0.09436 0.05325 -0.02521 106 8D 0 0.26048 -0.34711 0.36093 -0.44608 -0.01212 107 8D+1 -0.21078 -0.08029 -0.13026 -0.17097 -0.09961 108 8D-1 -0.11270 -0.11698 -0.45269 -0.44956 -0.13155 109 8D+2 -0.22634 0.20558 -0.41034 -0.04299 -0.06663 110 8D-2 0.38166 -0.07704 -0.29500 -0.14257 0.08758 111 6 Cu 1S -0.01884 0.00069 -0.00004 0.00101 0.33541 112 2S -0.05330 0.00131 -0.00011 -0.00470 0.77436 113 3S 0.13743 -0.00648 -0.00331 0.97670 -1.01839 114 4PX 0.00103 -0.06292 -0.00350 -0.02071 0.00460 115 4PY -0.00020 -0.03895 -0.00231 0.03573 -0.00618 116 4PZ 0.00438 -0.00149 0.00010 -0.06254 -0.02035 117 5PX 0.10751 1.83907 0.09761 0.74037 0.15973 118 5PY -0.23675 1.12542 0.06507 -1.26726 -0.29849 119 5PZ 0.16149 0.03850 -0.00402 1.89080 0.35732 120 6PX 0.17410 -0.82592 -0.04095 -0.29594 0.28067 121 6PY -0.29391 -0.51059 -0.02832 0.50113 -0.47179 122 6PZ 0.50799 -0.01275 0.00213 -0.54358 0.28192 123 7D 0 -0.05349 -0.00657 0.00084 -0.30577 0.04409 124 7D+1 0.00103 -0.16932 -0.00827 0.02313 -0.00980 125 7D-1 0.00578 -0.10838 -0.00544 -0.02614 0.01501 126 7D+2 -0.02487 0.22597 0.01329 -0.09831 0.01359 127 7D-2 -0.04155 -0.11122 -0.00615 -0.19397 0.02664 128 8D 0 0.15445 0.01910 -0.00249 0.89072 -0.15942 129 8D+1 -0.00967 0.49132 0.02416 -0.08822 0.02099 130 8D-1 -0.00603 0.31470 0.01575 0.10908 -0.03153 131 8D+2 0.06844 -0.66169 -0.03859 0.27716 -0.05950 132 8D-2 0.11270 0.32518 0.01790 0.54548 -0.11748 133 7 Cu 1S -0.02213 0.00133 -0.00010 0.03257 0.18326 134 2S -0.05718 0.00354 -0.00019 0.06618 0.46872 135 3S 0.00377 0.00442 0.00039 -0.12310 0.86123 136 4PX -0.01387 0.03037 0.00131 0.00486 -0.01406 137 4PY 0.02468 0.01918 0.00095 -0.00854 0.02208 138 4PZ -0.04385 0.00048 -0.00015 0.01756 0.02000 139 5PX 0.57595 -0.97135 -0.04651 -0.12424 0.38312 140 5PY -1.01955 -0.61163 -0.03253 0.21612 -0.60272 141 5PZ 1.68781 -0.01279 0.00362 -0.36684 -0.55312 142 6PX -0.40458 0.89542 0.04559 0.14327 -0.01907 143 6PY 0.70785 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0.67033 163 5PZ -0.05639 -0.01099 0.00043 -0.41448 -0.37432 164 9 O 1S -0.00184 0.00004 -0.00001 -0.00076 0.07282 165 2S 0.02694 -0.00110 0.00032 -0.00915 -1.71369 166 3S -0.01295 0.00180 -0.00102 0.17527 3.27247 167 4PX 0.00074 -0.02964 -0.00177 -0.00903 0.00240 168 4PY 0.00060 -0.01759 -0.00110 0.01476 -0.00099 169 4PZ -0.00435 -0.00132 -0.00014 -0.01852 -0.05313 170 5PX -0.00539 0.10141 0.00603 0.00301 -0.52054 171 5PY 0.00413 0.06348 0.00350 -0.00446 0.83952 172 5PZ 0.00428 0.00445 0.00032 0.05735 0.34255 166 167 168 169 170 V V V V V EIGENVALUES -- 1.80125 1.80529 1.82098 2.17805 2.24311 1 1 Cu 1S -0.50261 0.06878 -0.84699 0.74092 0.72229 2 2S -1.05118 0.15912 -1.79319 1.39801 1.36215 3 3S 0.14190 -0.01138 0.62306 -2.40569 -2.22414 4 4PX -0.00308 0.00242 0.01393 -0.00929 0.02357 5 4PY 0.01829 -0.00251 0.02600 0.01648 0.02045 6 4PZ -0.00839 0.01038 -0.01910 -0.02823 -0.00345 7 5PX -0.15263 -0.22044 -0.56799 0.36629 -0.20154 8 5PY -0.72966 0.08609 -1.05686 0.00746 -0.11052 9 5PZ 0.74654 -0.22445 0.76917 0.18052 -0.24430 10 6PX -0.14294 -0.01425 0.14421 -0.86814 0.96381 11 6PY 0.22286 -0.06820 0.40725 -0.11405 -0.03011 12 6PZ -0.14935 0.10641 -0.33434 -0.83909 0.24944 13 7D 0 0.00537 -0.04737 -0.01854 0.03930 -0.03376 14 7D+1 -0.00486 -0.04615 0.04545 0.02324 -0.01445 15 7D-1 -0.09138 0.03180 -0.08548 -0.03362 0.00342 16 7D+2 -0.07728 -0.01265 0.02757 -0.02039 0.00969 17 7D-2 0.01192 0.03666 0.08159 -0.04373 0.04971 18 8D 0 -0.02827 0.14488 0.06112 -0.13573 0.11512 19 8D+1 0.02732 0.15778 -0.16413 -0.06961 0.06218 20 8D-1 0.30767 -0.09845 0.28606 0.10385 -0.02149 21 8D+2 0.24621 0.04219 -0.09717 0.07689 -0.02506 22 8D-2 -0.04556 -0.11703 -0.27051 0.15962 -0.16430 23 2 Cu 1S 0.02812 -0.75849 0.56549 0.96893 -0.50906 24 2S 0.06703 -1.60330 1.18727 1.82661 -0.95778 25 3S -0.54738 0.40641 -0.57440 -2.95930 1.42463 26 4PX -0.00282 0.02821 -0.01735 0.02883 -0.01812 27 4PY 0.00812 0.01748 -0.00016 0.00185 -0.01834 28 4PZ 0.00592 0.00730 -0.01329 0.02130 0.01468 29 5PX -0.31742 -1.28963 0.75051 0.10139 -0.12132 30 5PY -0.02431 -0.52204 0.00402 0.06299 0.30480 31 5PZ 0.04775 -0.25467 0.54844 -0.18401 -0.31875 32 6PX 0.02169 0.46566 -0.29605 0.27284 -0.13164 33 6PY 0.14103 0.30101 0.01793 -0.47165 -0.78477 34 6PZ -0.07053 0.04017 -0.22566 0.30682 1.00510 35 7D 0 -0.01875 -0.03758 -0.02827 0.01800 0.02988 36 7D+1 0.02742 0.02883 -0.08523 0.03402 0.04770 37 7D-1 0.07237 -0.04400 0.05450 -0.00456 -0.00195 38 7D+2 0.02619 0.03713 -0.03070 0.00640 0.02165 39 7D-2 0.01912 0.10928 0.00293 -0.01279 -0.05119 40 8D 0 0.07826 0.12296 0.09374 -0.06005 -0.09914 41 8D+1 -0.07938 -0.09711 0.27806 -0.10588 -0.16869 42 8D-1 -0.24164 0.15565 -0.18967 -0.00621 0.01379 43 8D+2 -0.10669 -0.12673 0.09884 -0.01813 -0.08239 44 8D-2 -0.05538 -0.35467 -0.00333 0.05600 0.17307 45 3 Cu 1S -0.52117 0.80739 0.00078 -0.10000 -1.06924 46 2S -1.09391 1.69675 0.00138 -0.18816 -2.01029 47 3S -0.14979 -1.18406 0.00788 0.29783 2.77125 48 4PX 0.00051 -0.00705 -0.00981 -0.02628 -0.00504 49 4PY -0.00813 0.01707 -0.00531 -0.01184 0.02140 50 4PZ 0.02641 -0.01883 -0.00126 -0.00614 -0.02782 51 5PX -0.32258 0.18991 0.33584 0.42522 -0.18617 52 5PY 0.84029 -0.52774 0.17088 0.23812 0.26336 53 5PZ -0.83040 0.89225 0.04051 0.05637 -0.04434 54 6PX 0.07157 -0.11401 -0.12604 -1.24509 -0.07282 55 6PY -0.26616 0.26110 -0.06223 -0.61459 0.39131 56 6PZ 0.38131 -0.34173 -0.01192 -0.15551 0.06936 57 7D 0 0.05828 0.01994 -0.01367 -0.01506 -0.01318 58 7D+1 0.02692 -0.05512 -0.06564 -0.07007 0.00494 59 7D-1 -0.08166 0.07517 -0.02798 -0.02904 0.00548 60 7D+2 -0.01372 -0.03594 -0.03948 -0.04012 -0.00957 61 7D-2 -0.00048 -0.06799 0.03721 0.03597 -0.02283 62 8D 0 -0.17598 -0.06724 0.04336 0.05185 0.05007 63 8D+1 -0.09435 0.18409 0.20972 0.23841 -0.03002 64 8D-1 0.27779 -0.24600 0.08922 0.10097 0.00174 65 8D+2 0.05600 0.13111 0.12517 0.13659 0.02934 66 8D-2 0.01511 0.24225 -0.11868 -0.12512 0.06879 67 4 Cu 1S -0.01148 -0.77678 -0.54665 -1.04092 -0.31687 68 2S -0.01499 -1.64238 -1.14817 -1.96266 -0.59508 69 3S -0.44965 0.42797 0.57083 3.22526 0.92663 70 4PX -0.00633 -0.03143 -0.01146 0.02551 0.01788 71 4PY 0.00625 -0.01415 -0.01509 0.02421 -0.00114 72 4PZ 0.00541 0.00039 0.00964 -0.01107 0.02197 73 5PX 0.22290 1.20986 0.48952 0.02813 -0.13976 74 5PY 0.24239 0.78481 0.63815 0.06246 0.25968 75 5PZ 0.08725 0.02728 -0.39523 0.12500 -0.35560 76 6PX -0.11492 -0.52181 -0.18232 -0.05555 0.55401 77 6PY 0.08563 -0.19707 -0.26273 0.42320 -0.53456 78 6PZ -0.08138 -0.07798 0.16717 -0.06153 1.10026 79 7D 0 -0.03720 -0.03268 0.01099 -0.00220 0.01345 80 7D+1 -0.06049 0.05390 -0.00849 0.01151 -0.04451 81 7D-1 0.02447 -0.03844 -0.09507 0.02038 -0.04346 82 7D+2 0.02624 0.07955 -0.02295 0.00343 -0.05253 83 7D-2 0.03605 0.08005 0.04368 -0.00898 0.01383 84 8D 0 0.13449 0.10562 -0.03941 0.00519 -0.04279 85 8D+1 0.19200 -0.18361 0.01790 -0.05402 0.15064 86 8D-1 -0.09705 0.13361 0.31749 -0.04794 0.15127 87 8D+2 -0.07317 -0.25461 0.07049 -0.01775 0.18275 88 8D-2 -0.13186 -0.26644 -0.14344 0.01966 -0.05458 89 5 Cu 1S -0.50632 0.07845 0.85630 -0.56194 0.84832 90 2S -1.05802 0.17933 1.81203 -1.06022 1.59849 91 3S 0.17842 -0.01864 -0.62272 1.83725 -2.65994 92 4PX -0.01162 -0.00081 0.02568 -0.00298 -0.02906 93 4PY 0.01291 -0.00469 -0.00537 -0.02132 -0.00404 94 4PZ -0.00874 0.01022 0.02366 0.02447 -0.01521 95 5PX 0.56161 0.08580 -1.05334 0.27587 0.20313 96 5PY -0.34815 0.25185 0.21500 0.34452 0.06360 97 5PZ 0.79773 -0.20567 -0.96543 -0.14925 -0.16610 98 6PX -0.09879 0.05153 0.36218 -0.82685 -0.38784 99 6PY 0.22711 -0.03171 -0.15284 -0.87620 -0.68950 100 6PZ -0.10072 0.12686 0.38907 0.67373 -0.04797 101 7D 0 0.01668 -0.03506 0.01570 -0.03976 -0.01991 102 7D+1 0.07345 0.01950 -0.06938 0.00953 0.02417 103 7D-1 -0.06190 0.05970 0.07681 0.05192 0.01035 104 7D+2 0.02234 0.04242 -0.04903 0.04492 0.03396 105 7D-2 -0.06525 -0.01118 -0.06284 0.03172 0.01803 106 8D 0 -0.06868 0.10282 -0.05538 0.13796 0.06580 107 8D+1 -0.25143 -0.06798 0.22567 -0.03735 -0.07891 108 8D-1 0.19928 -0.19560 -0.26536 -0.16827 -0.05030 109 8D+2 -0.07564 -0.13551 0.16033 -0.15746 -0.11480 110 8D-2 0.20665 0.03956 0.21585 -0.11788 -0.04777 111 6 Cu 1S 0.06444 0.01511 -0.00352 -0.00326 0.14907 112 2S 0.24562 0.07387 -0.00908 -0.00716 0.26767 113 3S 2.91178 1.19051 -0.02505 -0.01111 -0.33225 114 4PX 0.03367 0.01300 -0.00050 -0.03361 0.02380 115 4PY -0.05367 -0.02022 0.00082 -0.01987 -0.04067 116 4PZ -0.03799 -0.01552 0.00051 -0.00060 0.02809 117 5PX -1.16829 -0.46328 -0.00598 0.47410 -0.54298 118 5PY 1.85749 0.73380 -0.03668 0.27492 0.91275 119 5PZ 1.27577 0.48243 -0.01481 0.00500 -0.38154 120 6PX -0.14070 -0.06561 -0.03150 0.38538 -0.23411 121 6PY 0.22248 0.13899 -0.01409 0.22733 0.40980 122 6PZ 0.21976 0.03102 -0.01228 0.01318 -0.57069 123 7D 0 -0.03887 0.01561 0.00696 -0.00110 0.02676 124 7D+1 -0.01084 0.00174 0.04064 -0.02289 -0.00938 125 7D-1 0.02782 -0.02237 0.01695 -0.01477 0.01312 126 7D+2 -0.00803 -0.03287 0.02737 0.02676 0.00057 127 7D-2 -0.02419 -0.04588 -0.02377 -0.01282 0.00055 128 8D 0 0.14581 -0.06482 -0.02757 0.00368 -0.08241 129 8D+1 0.06290 0.00275 -0.15875 0.07678 0.04199 130 8D-1 -0.14055 0.07195 -0.06618 0.04946 -0.06058 131 8D+2 0.04231 0.12928 -0.10471 -0.08692 0.00957 132 8D-2 0.11645 0.18426 0.09101 0.04143 0.02100 133 7 Cu 1S 1.05129 0.41868 -0.01455 -0.00121 0.00640 134 2S 2.15642 0.85831 -0.03052 -0.00186 0.01772 135 3S -2.28939 -0.89475 0.01890 0.01631 -0.04137 136 4PX -0.01099 -0.00442 0.00026 -0.02204 0.00472 137 4PY 0.01737 0.00681 -0.00053 -0.01324 -0.00879 138 4PZ 0.00986 0.00379 -0.00013 -0.00063 0.02259 139 5PX 0.35995 0.13483 -0.05198 0.13709 -0.04043 140 5PY -0.57902 -0.18085 -0.00537 0.07755 0.06811 141 5PZ -0.17919 -0.13713 -0.00450 0.00301 -0.11239 142 6PX -0.32792 -0.13021 0.02342 -0.67815 0.24432 143 6PY 0.51740 0.18412 -0.00297 -0.41082 -0.43165 144 6PZ 0.29171 0.13950 0.00904 -0.02604 0.71758 145 7D 0 0.01296 0.04143 0.00947 0.00168 -0.04404 146 7D+1 -0.01097 0.00359 0.05333 0.02861 0.00947 147 7D-1 0.02694 -0.02773 0.02192 0.01872 -0.01380 148 7D+2 0.01503 -0.02725 0.03565 -0.04605 -0.01450 149 7D-2 0.02158 -0.03298 -0.03258 0.02308 -0.02700 150 8D 0 -0.04623 -0.15427 -0.03581 -0.00556 0.14489 151 8D+1 0.05716 -0.00686 -0.20019 -0.09451 -0.02639 152 8D-1 -0.12647 0.09366 -0.08201 -0.06177 0.03810 153 8D+2 -0.04623 0.10574 -0.13376 0.15347 0.05115 154 8D-2 -0.05974 0.13165 0.12158 -0.07713 0.09591 155 8 C 1S -0.00297 -0.00114 0.00011 0.00001 -0.00037 156 2S -0.07037 -0.02237 0.00104 -0.00036 -0.17342 157 3S 1.73646 0.70596 -0.01010 -0.00855 1.49818 158 4PX 0.01912 0.00840 0.00272 0.07359 0.04366 159 4PY -0.03309 -0.01662 0.00023 0.04506 -0.06797 160 4PZ 0.04520 0.02247 -0.00012 0.00188 -0.08276 161 5PX 0.01349 0.01338 0.02086 -0.45569 0.33810 162 5PY -0.02642 -0.02957 0.00680 -0.27325 -0.58453 163 5PZ 0.10849 0.05928 0.00414 -0.01151 0.53090 164 9 O 1S -0.02501 -0.01082 -0.00008 0.00010 -0.01819 165 2S 0.63017 0.27479 0.00220 -0.00368 0.65803 166 3S -1.25480 -0.54661 -0.00382 0.00839 -1.53666 167 4PX -0.01680 -0.00620 0.00728 -0.07555 0.01614 168 4PY 0.02873 0.00847 0.00309 -0.04594 -0.02955 169 4PZ -0.00880 0.00161 0.00193 -0.00185 0.05273 170 5PX 0.22868 0.09747 -0.02162 0.25700 0.15152 171 5PY -0.37625 -0.15277 -0.01083 0.15906 -0.23475 172 5PZ -0.05358 -0.04193 -0.00608 0.00663 -0.27643 171 172 V V EIGENVALUES -- 2.56166 9.40094 1 1 Cu 1S -0.68333 -0.54282 2 2S -1.20170 -0.84187 3 3S 0.91679 -1.47969 4 4PX -0.01673 -0.01430 5 4PY -0.02913 -0.02201 6 4PZ 0.02045 0.02796 7 5PX 0.19933 -0.41500 8 5PY -0.03517 -0.11455 9 5PZ -0.23599 0.60239 10 6PX 0.18909 -0.36650 11 6PY -0.15887 0.44762 12 6PZ -0.49935 0.40623 13 7D 0 0.02298 0.00352 14 7D+1 -0.02362 -0.00661 15 7D-1 0.00274 -0.01265 16 7D+2 0.00975 -0.00333 17 7D-2 -0.00854 0.00942 18 8D 0 -0.07232 -0.03468 19 8D+1 0.07626 0.05460 20 8D-1 -0.00775 0.09778 21 8D+2 -0.02636 0.01537 22 8D-2 0.03045 -0.06857 23 2 Cu 1S -0.46261 -0.70958 24 2S -0.81138 -1.10327 25 3S 0.05846 -1.37751 26 4PX -0.02278 -0.04983 27 4PY -0.00822 -0.00121 28 4PZ -0.01657 -0.00289 29 5PX 0.20952 -0.87801 30 5PY -0.12246 0.14846 31 5PZ -0.05784 0.07842 32 6PX 0.39266 -0.19801 33 6PY 0.04932 0.14038 34 6PZ -0.13236 -0.01989 35 7D 0 -0.02031 -0.00270 36 7D+1 -0.02338 0.00482 37 7D-1 0.00736 -0.00021 38 7D+2 0.01879 0.01166 39 7D-2 -0.01957 0.00649 40 8D 0 0.06689 0.04252 41 8D+1 0.07532 -0.03287 42 8D-1 -0.03215 0.00472 43 8D+2 -0.05722 -0.10797 44 8D-2 0.06137 -0.03756 45 3 Cu 1S -0.35305 -0.80129 46 2S -0.62222 -1.24302 47 3S -0.56726 -0.94260 48 4PX -0.00139 -0.02101 49 4PY 0.00622 0.04681 50 4PZ -0.02139 -0.02916 51 5PX 0.09671 -0.38216 52 5PY -0.16446 0.78352 53 5PZ -0.08534 -0.20288 54 6PX 0.05784 0.05083 55 6PY -0.20718 -0.06805 56 6PZ 0.24727 -0.22597 57 7D 0 -0.02067 0.00287 58 7D+1 -0.00091 0.00263 59 7D-1 -0.00030 -0.00674 60 7D+2 -0.02027 -0.00340 61 7D-2 -0.02907 -0.00272 62 8D 0 0.05822 -0.00715 63 8D+1 0.00679 -0.03429 64 8D-1 -0.00213 0.08065 65 8D+2 0.06606 0.04317 66 8D-2 0.09573 0.04174 67 4 Cu 1S -0.50392 -0.67553 68 2S -0.88291 -1.05125 69 3S 0.26684 -1.48362 70 4PX 0.02358 0.02781 71 4PY 0.01792 0.03732 72 4PZ -0.01145 0.00600 73 5PX -0.01999 0.34768 74 5PY -0.25874 0.78791 75 5PZ -0.08100 0.20830 76 6PX -0.20760 -0.05631 77 6PY -0.30745 0.31952 78 6PZ -0.24653 0.06463 79 7D 0 -0.01263 -0.00409 80 7D+1 0.00924 0.00034 81 7D-1 0.02990 -0.00177 82 7D+2 -0.02280 0.00163 83 7D-2 0.00398 0.01512 84 8D 0 0.04343 0.04720 85 8D+1 -0.02440 -0.01122 86 8D-1 -0.10035 0.00377 87 8D+2 0.06892 0.00473 88 8D-2 -0.01003 -0.12238 89 5 Cu 1S -0.70722 -0.52454 90 2S -1.24350 -0.81253 91 3S 0.99085 -1.41141 92 4PX 0.02913 0.02124 93 4PY -0.00547 -0.00362 94 4PZ 0.02739 0.03096 95 5PX -0.03269 0.18622 96 5PY -0.16029 0.21776 97 5PZ -0.27215 0.64729 98 6PX 0.11099 -0.28397 99 6PY -0.23624 0.53656 100 6PZ -0.49335 0.43527 101 7D 0 0.02687 0.00764 102 7D+1 0.00120 0.01409 103 7D-1 0.01862 -0.00285 104 7D+2 -0.00943 0.00664 105 7D-2 0.00285 -0.00098 106 8D 0 -0.08465 -0.06577 107 8D+1 -0.00470 -0.10712 108 8D-1 -0.05837 0.02019 109 8D+2 0.03087 -0.04531 110 8D-2 -0.00410 -0.00144 111 6 Cu 1S 0.68929 -3.27915 112 2S 1.21109 -5.28619 113 3S -3.84544 10.44539 114 4PX 0.03156 0.04145 115 4PY -0.04997 -0.06540 116 4PZ -0.03734 -0.06384 117 5PX 0.70252 -3.68152 118 5PY -1.13213 5.87275 119 5PZ -0.82548 3.86514 120 6PX -0.65224 0.31065 121 6PY 1.07719 -0.55515 122 6PZ -0.07961 1.28670 123 7D 0 -0.00423 -0.02049 124 7D+1 -0.01976 -0.03716 125 7D-1 0.03206 0.05966 126 7D+2 -0.01420 -0.03042 127 7D-2 -0.02841 -0.06271 128 8D 0 -0.00229 0.14530 129 8D+1 0.04654 0.26720 130 8D-1 -0.07645 -0.42837 131 8D+2 0.02867 0.22089 132 8D-2 0.05593 0.45428 133 7 Cu 1S -1.10437 -0.74000 134 2S -1.89752 -1.24348 135 3S 4.48177 -0.16376 136 4PX -0.03567 -0.02333 137 4PY 0.05646 0.03692 138 4PZ 0.04410 0.03471 139 5PX 0.52799 -0.47539 140 5PY -0.83822 0.75686 141 5PZ -0.74605 0.64566 142 6PX 0.53729 0.16443 143 6PY -0.87293 -0.23195 144 6PZ -0.41252 -0.98175 145 7D 0 0.00438 0.00067 146 7D+1 0.00595 -0.01552 147 7D-1 -0.00943 0.02457 148 7D+2 0.00590 -0.00940 149 7D-2 0.01181 -0.01941 150 8D 0 -0.01294 -0.01003 151 8D+1 -0.02611 0.11505 152 8D-1 0.04127 -0.18214 153 8D+2 -0.02359 0.06629 154 8D-2 -0.04715 0.13772 155 8 C 1S 0.00655 -0.05253 156 2S 0.40960 -0.97200 157 3S -0.13616 4.59853 158 4PX -0.01750 -0.06777 159 4PY 0.02461 0.10599 160 4PZ 0.08055 0.11961 161 5PX 0.96008 -2.16427 162 5PY -1.53683 3.46899 163 5PZ -0.86754 1.83056 164 9 O 1S -0.01271 -0.00953 165 2S 0.70381 -0.46650 166 3S -1.76304 1.62449 167 4PX 0.00542 -0.09578 168 4PY -0.00498 0.15048 169 4PZ -0.07993 0.14457 170 5PX 0.14959 0.27056 171 5PY -0.26052 -0.40983 172 5PZ 0.27769 -0.69194 ALPHA DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.00537 2 2S 0.00718 0.17368 3 3S 0.00620 0.08028 0.20785 4 4PX -0.00129 -0.00804 0.01465 0.99727 5 4PY -0.00232 -0.01388 0.02684 -0.00034 0.99712 6 4PZ 0.00211 0.01338 -0.02382 -0.00002 0.00056 7 5PX 0.00094 0.01137 0.02365 0.01487 0.00331 8 5PY 0.00176 0.01807 0.04938 0.00399 0.01706 9 5PZ -0.00151 -0.01897 -0.03880 -0.00190 -0.00529 10 6PX 0.00044 -0.00157 0.00736 -0.01771 0.00324 11 6PY 0.00102 -0.01531 0.01297 0.00337 -0.00493 12 6PZ -0.00081 0.00353 -0.01148 -0.00842 -0.00621 13 7D 0 -0.00010 -0.00188 -0.00137 0.00007 -0.00109 14 7D+1 0.00026 -0.00316 -0.04469 -0.00051 0.00083 15 7D-1 0.00026 0.00510 0.07060 -0.00021 0.00015 16 7D+2 0.00011 -0.00508 -0.03187 0.00124 -0.00137 17 7D-2 -0.00020 -0.00391 -0.05369 0.00107 0.00002 18 8D 0 -0.00001 -0.00074 -0.00049 0.00013 -0.00038 19 8D+1 -0.00006 -0.00068 -0.01487 -0.00052 -0.00002 20 8D-1 0.00007 -0.00080 0.02143 -0.00037 -0.00056 21 8D+2 -0.00003 -0.00195 -0.01088 0.00034 -0.00077 22 8D-2 -0.00006 0.00031 -0.01657 0.00053 0.00037 23 2 Cu 1S -0.00118 -0.00332 -0.00005 0.00039 -0.00084 24 2S -0.00354 0.07812 0.00658 0.00734 -0.00504 25 3S -0.00012 0.00538 -0.06523 0.00742 -0.00129 26 4PX -0.00118 -0.00831 -0.00102 0.00046 -0.00024 27 4PY 0.00053 0.00790 0.00604 -0.00148 0.00087 28 4PZ -0.00125 -0.01293 -0.00978 0.00084 0.00076 29 5PX -0.00026 0.00676 -0.00860 -0.00170 0.00097 30 5PY 0.00045 -0.02055 -0.00191 0.00333 -0.00198 31 5PZ -0.00071 0.02373 -0.00808 0.00058 -0.00525 32 6PX 0.00021 -0.00650 -0.01226 0.00588 -0.00031 33 6PY 0.00067 0.00022 0.00881 0.00698 0.00269 34 6PZ -0.00065 -0.00982 -0.01795 -0.00708 0.00077 35 7D 0 0.00093 0.01561 0.06798 0.00850 -0.00668 36 7D+1 -0.00049 0.00625 0.09062 0.00252 -0.00606 37 7D-1 -0.00198 -0.02629 -0.13106 -0.00814 -0.00077 38 7D+2 -0.00123 -0.00956 0.00288 -0.00204 -0.00551 39 7D-2 0.00013 -0.00153 -0.00746 -0.00165 0.00049 40 8D 0 0.00049 0.00467 0.02307 0.00206 -0.00198 41 8D+1 0.00006 0.00215 0.03016 -0.00075 -0.00131 42 8D-1 -0.00083 -0.00918 -0.04375 -0.00175 -0.00104 43 8D+2 -0.00041 -0.00272 0.00096 -0.00098 -0.00190 44 8D-2 -0.00010 0.00054 -0.00296 0.00048 -0.00033 45 3 Cu 1S 0.00038 -0.00130 -0.00110 0.00047 0.00096 46 2S -0.00135 -0.05502 -0.01023 0.00602 0.00089 47 3S -0.00110 -0.00949 0.02923 -0.00431 0.00200 48 4PX 0.00026 0.00710 -0.00515 0.00140 -0.00045 49 4PY -0.00048 0.00489 -0.00549 -0.00008 0.00052 50 4PZ 0.00102 0.00037 0.00204 -0.00023 0.00133 51 5PX 0.00002 -0.01566 -0.00141 -0.00396 0.00106 52 5PY 0.00069 -0.01135 0.00092 0.00014 -0.00184 53 5PZ -0.00046 -0.00088 -0.00341 0.00055 -0.00240 54 6PX 0.00040 0.00117 0.00494 0.00431 0.00036 55 6PY -0.00028 -0.00224 -0.01208 0.00346 -0.00084 56 6PZ 0.00061 0.01643 0.01866 -0.00053 0.00084 57 7D 0 -0.00105 -0.00555 -0.03996 -0.00022 0.00198 58 7D+1 0.00075 0.00835 -0.01557 0.00160 0.00059 59 7D-1 0.00298 0.01657 0.07479 -0.00069 0.00243 60 7D+2 0.00160 0.01190 0.01806 0.00060 0.00075 61 7D-2 -0.00062 -0.00582 -0.01468 -0.00210 0.00043 62 8D 0 -0.00033 -0.00232 -0.01406 0.00000 0.00091 63 8D+1 0.00025 0.00275 -0.00457 0.00081 0.00012 64 8D-1 0.00104 0.00759 0.02695 -0.00031 0.00070 65 8D+2 0.00058 0.00448 0.00699 0.00013 0.00044 66 8D-2 -0.00017 -0.00243 -0.00507 -0.00082 0.00015 67 4 Cu 1S 0.00040 -0.00125 -0.00064 0.00027 0.00092 68 2S -0.00127 -0.05542 -0.01076 -0.00788 -0.00037 69 3S -0.00070 -0.00994 0.02990 0.00873 0.00344 70 4PX -0.00100 -0.00338 -0.00034 0.00068 -0.00103 71 4PY -0.00061 0.00415 -0.00739 -0.00150 0.00049 72 4PZ 0.00015 -0.00661 0.00574 0.00057 0.00110 73 5PX 0.00030 0.00756 0.00385 -0.00445 0.00135 74 5PY 0.00058 -0.00967 0.00175 0.00164 -0.00213 75 5PZ -0.00026 0.01461 0.00052 -0.00115 -0.00241 76 6PX -0.00070 -0.01341 -0.01657 -0.00023 -0.00036 77 6PY -0.00039 -0.00549 -0.01556 -0.00361 -0.00218 78 6PZ -0.00016 0.00461 0.00308 0.00541 0.00020 79 7D 0 0.00088 0.00500 0.03489 0.00113 -0.00005 80 7D+1 0.00169 0.01295 0.01660 0.00154 -0.00050 81 7D-1 0.00198 0.01307 0.04129 -0.00033 0.00044 82 7D+2 0.00070 0.00721 -0.00909 -0.00210 0.00242 83 7D-2 -0.00236 -0.01159 -0.06419 -0.00069 -0.00222 84 8D 0 0.00032 0.00204 0.01214 0.00028 0.00009 85 8D+1 0.00058 0.00481 0.00679 0.00038 -0.00032 86 8D-1 0.00066 0.00576 0.01490 -0.00003 0.00011 87 8D+2 0.00027 0.00243 -0.00258 -0.00095 0.00103 88 8D-2 -0.00084 -0.00549 -0.02309 -0.00030 -0.00059 89 5 Cu 1S -0.00116 -0.00344 0.00003 -0.00158 -0.00095 90 2S -0.00342 0.07637 0.00515 -0.01593 -0.00679 91 3S 0.00004 0.00490 -0.06722 -0.01005 -0.00278 92 4PX 0.00159 0.01444 0.00867 0.00136 -0.00058 93 4PY 0.00074 0.00938 0.00743 0.00060 0.00108 94 4PZ 0.00067 0.00252 -0.00289 -0.00121 0.00050 95 5PX 0.00071 -0.02219 0.01187 -0.00105 0.00458 96 5PY 0.00047 -0.02262 -0.00076 0.00281 -0.00217 97 5PZ -0.00014 0.00363 0.00603 0.00137 -0.00300 98 6PX 0.00050 0.01211 0.02150 -0.00210 -0.00070 99 6PY 0.00062 0.00075 0.00895 -0.00834 0.00139 100 6PZ -0.00045 0.00182 0.00303 0.00559 0.00081 101 7D 0 -0.00074 -0.01480 -0.07440 0.00953 0.00209 102 7D+1 -0.00137 -0.00912 0.02340 -0.00368 -0.00210 103 7D-1 -0.00096 -0.01063 -0.05007 -0.00293 -0.00157 104 7D+2 -0.00048 0.00465 0.06357 -0.00493 -0.01073 105 7D-2 0.00166 0.02558 0.13772 -0.01272 -0.00232 106 8D 0 -0.00042 -0.00444 -0.02502 0.00157 0.00000 107 8D+1 -0.00043 -0.00248 0.00747 -0.00062 -0.00036 108 8D-1 -0.00023 -0.00467 -0.01633 -0.00035 -0.00030 109 8D+2 0.00000 0.00144 0.02134 0.00027 -0.00317 110 8D-2 0.00079 0.00848 0.04614 -0.00209 0.00038 111 6 Cu 1S -0.00128 -0.00227 -0.00303 -0.00046 -0.00035 112 2S -0.00397 0.04808 0.00765 -0.00894 0.00258 113 3S -0.00413 -0.00979 -0.06466 -0.01401 -0.00700 114 4PX 0.00101 0.01329 0.00496 0.00136 -0.00038 115 4PY 0.00026 0.00745 0.00937 0.00058 0.00013 116 4PZ -0.00161 -0.02062 -0.01203 0.00120 0.00044 117 5PX 0.00146 -0.02267 0.01040 -0.00224 0.00201 118 5PY 0.00035 -0.02774 -0.01640 -0.00232 0.00199 119 5PZ -0.00257 0.03786 -0.01372 -0.00845 -0.00308 120 6PX 0.00002 0.00464 0.00219 0.00461 -0.00025 121 6PY 0.00024 0.01197 0.00347 -0.00093 0.00327 122 6PZ -0.00025 -0.01386 -0.00924 0.00110 -0.00157 123 7D 0 -0.00084 0.00609 0.03255 -0.00838 -0.00206 124 7D+1 0.00017 -0.02176 -0.09707 0.00419 0.00171 125 7D-1 -0.00141 -0.01033 -0.06630 0.00306 -0.00165 126 7D+2 -0.00103 -0.00832 -0.01899 0.00134 -0.00296 127 7D-2 0.00066 0.00732 0.03082 0.00115 0.00203 128 8D 0 -0.00029 0.00057 0.01034 -0.00211 -0.00091 129 8D+1 0.00019 -0.00613 -0.03145 0.00002 0.00083 130 8D-1 -0.00060 -0.00382 -0.02200 0.00090 -0.00098 131 8D+2 -0.00032 -0.00429 -0.00648 0.00116 -0.00106 132 8D-2 0.00037 0.00188 0.01018 0.00084 0.00091 133 7 Cu 1S -0.00122 -0.00424 -0.00228 -0.00010 -0.00181 134 2S -0.00414 0.04239 -0.00054 0.00424 -0.02018 135 3S -0.00234 -0.03775 -0.06177 0.00032 -0.02527 136 4PX -0.00012 0.00269 -0.00129 0.00154 0.00006 137 4PY 0.00198 0.02143 0.01513 -0.00089 0.00122 138 4PZ 0.00004 -0.00542 0.00102 0.00027 0.00012 139 5PX -0.00007 -0.01131 -0.00488 -0.00501 0.00115 140 5PY 0.00220 -0.02981 0.00859 0.00401 0.00221 141 5PZ -0.00005 0.01899 0.00714 -0.00042 -0.00281 142 6PX 0.00030 -0.00780 0.00142 0.00345 -0.00013 143 6PY -0.00001 0.00062 0.01304 0.00074 0.00237 144 6PZ -0.00034 0.01395 -0.00074 0.00191 0.00159 145 7D 0 0.00062 -0.00037 -0.05099 -0.00220 0.00712 146 7D+1 -0.00093 -0.01758 -0.03953 -0.00347 0.00062 147 7D-1 -0.00212 -0.02615 -0.08307 0.00122 0.00418 148 7D+2 0.00008 -0.01776 -0.12411 0.00290 0.01381 149 7D-2 0.00142 0.01490 0.04138 0.00748 -0.00098 150 8D 0 0.00019 0.00063 -0.01689 -0.00072 0.00067 151 8D+1 -0.00031 -0.00628 -0.01353 -0.00129 0.00053 152 8D-1 -0.00079 -0.00917 -0.02849 0.00052 0.00091 153 8D+2 -0.00002 -0.00491 -0.04147 0.00124 0.00186 154 8D-2 0.00053 0.00536 0.01432 0.00294 -0.00024 155 8 C 1S -0.00056 0.00452 -0.01034 -0.00068 0.00024 156 2S 0.00123 -0.01110 0.02104 0.00196 -0.00101 157 3S 0.00266 -0.02073 0.01490 0.00405 -0.00075 158 4PX -0.00035 -0.00592 -0.00740 -0.00244 0.00039 159 4PY 0.00076 -0.02249 -0.00082 0.00109 -0.00094 160 4PZ -0.00037 0.02335 -0.00031 -0.00481 0.00406 161 5PX -0.00014 -0.00067 -0.00088 0.00068 -0.00060 162 5PY 0.00023 -0.01112 -0.00155 -0.00045 -0.00090 163 5PZ -0.00001 0.00801 -0.00079 -0.00345 0.00353 164 9 O 1S -0.00028 -0.00087 0.00145 0.00009 -0.00006 165 2S 0.00058 0.00277 -0.00285 -0.00013 0.00037 166 3S -0.00001 -0.00051 -0.00944 -0.00131 -0.00008 167 4PX 0.00020 0.00976 -0.01345 0.00219 -0.00038 168 4PY 0.00007 0.01617 0.00765 0.00000 0.00065 169 4PZ -0.00016 -0.02676 -0.00364 0.00409 -0.00280 170 5PX 0.00022 0.00683 -0.00347 0.00097 0.00045 171 5PY -0.00035 0.00889 0.00030 -0.00036 0.00060 172 5PZ 0.00001 -0.01549 -0.00157 0.00348 -0.00284 6 7 8 9 10 6 4PZ 0.99730 7 5PX -0.00180 0.02717 8 5PY -0.00630 -0.00030 0.03421 9 5PZ 0.01697 -0.00098 0.00041 0.02815 10 6PX -0.00812 0.00493 -0.00122 0.00069 0.01079 11 6PY -0.00637 -0.00047 0.00445 0.00113 0.00093 12 6PZ -0.00993 0.00131 0.00173 0.00356 0.00145 13 7D 0 -0.00121 0.01154 0.02554 0.04171 0.02817 14 7D+1 0.00010 0.02950 -0.01326 -0.01173 0.02436 15 7D-1 0.00129 -0.00705 0.01744 -0.03280 -0.01006 16 7D+2 -0.00129 -0.02810 0.03211 0.01205 -0.02291 17 7D-2 -0.00023 -0.04107 -0.01220 -0.00637 -0.04994 18 8D 0 -0.00062 0.00403 0.00822 0.01365 0.00940 19 8D+1 0.00060 0.00963 -0.00453 -0.00363 0.00812 20 8D-1 0.00088 -0.00278 0.00496 -0.01019 -0.00320 21 8D+2 -0.00024 -0.00923 0.00997 0.00387 -0.00742 22 8D-2 -0.00037 -0.01339 -0.00357 -0.00258 -0.01669 23 2 Cu 1S 0.00167 0.00059 -0.00029 0.00057 0.00091 24 2S 0.01539 -0.02040 0.00085 -0.02566 0.00533 25 3S 0.00911 0.00019 -0.01103 0.00706 0.01146 26 4PX -0.00075 0.00151 0.00168 0.00366 0.00316 27 4PY -0.00010 0.00239 -0.00378 -0.00143 0.00745 28 4PZ 0.00149 0.00210 -0.00343 -0.00178 -0.00880 29 5PX 0.00204 0.00461 -0.00368 -0.00186 0.00651 30 5PY -0.00419 -0.00707 0.01072 0.00280 -0.00163 31 5PZ -0.00133 0.00063 0.00695 0.01179 0.00360 32 6PX 0.00170 -0.00017 -0.00304 0.00301 -0.00218 33 6PY 0.00541 0.00143 0.00477 -0.00295 -0.00365 34 6PZ -0.00214 0.00266 -0.00620 0.00788 0.00316 35 7D 0 0.00244 -0.02663 0.02856 -0.02015 -0.00732 36 7D+1 0.01159 0.00284 0.02390 -0.04996 -0.00235 37 7D-1 -0.00668 0.03224 -0.01344 0.03592 -0.01368 38 7D+2 0.00007 0.00528 0.02598 0.01217 -0.00570 39 7D-2 -0.00750 0.00888 -0.00943 0.02232 0.01842 40 8D 0 -0.00071 -0.00889 0.00959 -0.00685 -0.00237 41 8D+1 0.00193 0.00078 0.00804 -0.01676 -0.00045 42 8D-1 -0.00098 0.01073 -0.00447 0.01227 -0.00451 43 8D+2 -0.00023 0.00160 0.00880 0.00406 -0.00162 44 8D-2 -0.00158 0.00296 -0.00317 0.00738 0.00602 45 3 Cu 1S -0.00052 -0.00011 -0.00053 0.00070 0.00041 46 2S 0.00652 -0.01331 -0.00335 -0.01419 0.00671 47 3S -0.00619 -0.00196 -0.00343 0.00069 0.00970 48 4PX 0.00024 -0.00415 0.00055 -0.00010 0.00356 49 4PY 0.00174 -0.00071 -0.00357 -0.00294 0.00303 50 4PZ 0.00034 0.00090 -0.00195 -0.00188 0.00138 51 5PX -0.00114 0.01201 -0.00316 0.00103 0.00150 52 5PY -0.00257 0.00049 0.01286 0.00526 -0.00466 53 5PZ -0.00385 -0.00337 0.00705 0.01339 0.00290 54 6PX 0.00316 0.00016 0.00412 -0.00226 -0.00123 55 6PY 0.00293 0.00027 -0.00447 0.00069 0.00169 56 6PZ -0.00249 0.00365 0.00180 -0.00297 -0.00020 57 7D 0 0.00301 -0.00011 -0.01479 -0.00007 0.00637 58 7D+1 -0.00020 -0.01179 -0.00568 0.00709 0.00048 59 7D-1 0.00001 0.00259 0.00810 -0.01847 -0.00008 60 7D+2 -0.00059 -0.00224 -0.00172 -0.00602 0.00843 61 7D-2 0.00014 0.00481 0.00143 0.00166 0.00729 62 8D 0 0.00098 -0.00016 -0.00486 0.00046 0.00216 63 8D+1 -0.00003 -0.00430 -0.00166 0.00223 0.00036 64 8D-1 -0.00004 0.00108 0.00335 -0.00644 -0.00028 65 8D+2 0.00006 -0.00065 -0.00073 -0.00260 0.00278 66 8D-2 0.00014 0.00136 0.00041 0.00056 0.00239 67 4 Cu 1S -0.00069 -0.00051 -0.00046 0.00026 -0.00006 68 2S -0.00357 0.01735 -0.00004 0.00807 0.00384 69 3S 0.00020 0.00066 -0.00379 0.00243 0.00932 70 4PX 0.00012 -0.00232 0.00164 0.00020 0.00158 71 4PY 0.00083 0.00260 -0.00371 0.00010 -0.00245 72 4PZ 0.00126 -0.00102 -0.00169 -0.00413 0.00609 73 5PX 0.00079 0.01249 -0.00460 -0.00321 -0.00027 74 5PY -0.00104 -0.00511 0.01339 0.00170 -0.00157 75 5PZ -0.00359 0.00064 0.00668 0.01340 -0.00097 76 6PX 0.00173 -0.00067 -0.00407 0.00301 -0.00066 77 6PY -0.00189 -0.00266 -0.00253 0.00291 -0.00303 78 6PZ 0.00252 -0.00198 -0.00195 0.00017 0.00138 79 7D 0 0.00042 0.00595 0.00539 -0.00990 0.00502 80 7D+1 -0.00212 -0.00019 0.00501 0.00967 -0.00648 81 7D-1 -0.00184 0.00963 0.00259 0.00163 0.00356 82 7D+2 0.00042 0.00621 -0.01202 0.00122 0.00585 83 7D-2 -0.00137 -0.01172 -0.01018 0.01114 -0.00887 84 8D 0 0.00044 0.00232 0.00157 -0.00373 0.00170 85 8D+1 -0.00077 0.00053 0.00178 0.00314 -0.00211 86 8D-1 -0.00075 0.00327 0.00114 0.00016 0.00119 87 8D+2 0.00013 0.00221 -0.00385 0.00054 0.00190 88 8D-2 -0.00058 -0.00400 -0.00401 0.00393 -0.00297 89 5 Cu 1S 0.00027 -0.00075 -0.00029 -0.00031 -0.00070 90 2S -0.00118 0.02988 0.00527 0.00992 -0.00740 91 3S -0.00540 -0.00725 -0.01027 0.00397 -0.01957 92 4PX 0.00035 0.00052 0.00311 0.00246 -0.00372 93 4PY 0.00148 0.00117 -0.00427 -0.00300 -0.00650 94 4PZ 0.00057 0.00430 -0.00288 -0.00126 0.00255 95 5PX 0.00052 0.01068 -0.00503 -0.00253 0.00999 96 5PY -0.00479 -0.00060 0.01242 0.00836 -0.00020 97 5PZ -0.00172 -0.00466 0.00654 0.00595 0.00403 98 6PX -0.00317 0.00866 0.00631 -0.00261 0.00100 99 6PY -0.00399 0.00215 0.00593 -0.00116 0.00022 100 6PZ 0.00679 -0.00150 0.00099 0.00079 -0.00376 101 7D 0 0.00125 -0.04626 -0.00624 0.01091 -0.01196 102 7D+1 0.00636 0.00667 0.00713 -0.02711 -0.00468 103 7D-1 0.00341 0.00129 0.00576 -0.00617 0.00555 104 7D+2 -0.00236 0.01737 0.04282 0.00147 -0.00176 105 7D-2 -0.00419 0.05430 0.02818 0.01245 0.00764 106 8D 0 -0.00001 -0.01555 -0.00210 0.00366 -0.00398 107 8D+1 0.00254 0.00227 0.00242 -0.00891 -0.00209 108 8D-1 0.00144 0.00031 0.00192 -0.00200 0.00185 109 8D+2 -0.00044 0.00593 0.01442 0.00061 -0.00096 110 8D-2 -0.00077 0.01830 0.00947 0.00408 0.00257 111 6 Cu 1S 0.00085 -0.00111 -0.00073 0.00177 -0.00089 112 2S 0.01367 0.01795 -0.02254 -0.02582 -0.00100 113 3S 0.02138 -0.00635 -0.01181 0.00925 -0.01570 114 4PX 0.00111 -0.00105 -0.00082 -0.00518 0.00187 115 4PY -0.00079 0.00034 -0.00003 -0.00044 -0.00190 116 4PZ 0.00013 -0.00633 0.00154 0.00490 0.00314 117 5PX -0.00744 0.00717 0.00819 0.00560 0.00479 118 5PY 0.00249 0.00493 -0.00851 -0.00657 -0.00382 119 5PZ 0.00626 0.00708 -0.01316 0.00060 -0.00063 120 6PX 0.00180 -0.00368 0.00078 -0.00087 -0.00132 121 6PY 0.00147 0.00127 -0.00354 -0.00294 0.00319 122 6PZ 0.00441 -0.00538 0.00338 0.00396 -0.00260 123 7D 0 0.00348 0.01595 0.01193 -0.02028 -0.00949 124 7D+1 -0.01094 -0.02521 -0.01215 0.04173 -0.00705 125 7D-1 -0.00088 -0.01866 -0.00679 0.01442 -0.00575 126 7D+2 0.00292 -0.00089 0.01466 -0.00208 0.00308 127 7D-2 0.00379 -0.00135 0.00061 -0.01695 -0.00414 128 8D 0 -0.00051 0.00449 0.00426 -0.00653 -0.00337 129 8D+1 -0.00202 -0.00802 -0.00452 0.01308 -0.00245 130 8D-1 0.00018 -0.00656 -0.00162 0.00493 -0.00173 131 8D+2 0.00018 0.00007 0.00479 -0.00051 0.00093 132 8D-2 0.00092 -0.00067 0.00017 -0.00562 -0.00162 133 7 Cu 1S 0.00026 -0.00041 -0.00049 0.00066 -0.00013 134 2S -0.00534 -0.01666 0.04887 0.02285 -0.00307 135 3S 0.00110 -0.01419 0.01136 0.02140 -0.00450 136 4PX 0.00029 -0.00413 -0.00076 -0.00041 0.00436 137 4PY 0.00144 0.00083 0.00387 -0.00209 0.00363 138 4PZ 0.00134 -0.00036 0.00002 -0.00406 -0.00011 139 5PX -0.00034 0.00872 -0.00333 -0.00073 0.00259 140 5PY -0.00677 -0.00345 0.01420 0.00525 -0.00108 141 5PZ -0.00440 -0.00117 0.00630 0.00991 -0.00038 142 6PX 0.00168 0.00712 -0.00182 -0.00062 0.00190 143 6PY -0.00087 -0.00029 0.01369 0.00017 -0.00242 144 6PZ 0.00166 0.00133 -0.00038 0.00367 0.00446 145 7D 0 -0.00552 0.00412 -0.03109 0.02875 0.01026 146 7D+1 0.00078 0.01600 -0.00733 -0.00693 -0.00928 147 7D-1 0.00564 0.00139 -0.02738 -0.00396 -0.00097 148 7D+2 -0.00181 -0.01883 -0.06464 0.01535 0.00145 149 7D-2 0.00149 -0.00700 0.01147 0.00054 0.01771 150 8D 0 -0.00205 0.00157 -0.01035 0.00958 0.00336 151 8D+1 0.00028 0.00546 -0.00273 -0.00234 -0.00305 152 8D-1 0.00223 0.00043 -0.00895 -0.00075 -0.00032 153 8D+2 -0.00068 -0.00632 -0.02163 0.00492 0.00047 154 8D-2 0.00058 -0.00177 0.00368 0.00011 0.00606 155 8 C 1S 0.00101 -0.00002 -0.00292 0.00048 -0.00220 156 2S -0.00278 -0.00157 0.00888 0.00050 0.00645 157 3S -0.00608 -0.00271 0.00899 0.00329 -0.00070 158 4PX 0.00034 0.00377 -0.00371 0.00059 0.00590 159 4PY -0.00311 -0.00016 0.00633 0.00551 -0.00801 160 4PZ 0.00331 0.01051 -0.01657 -0.00725 -0.00098 161 5PX -0.00172 0.00261 0.00094 0.00104 0.00017 162 5PY 0.00050 -0.00011 0.00001 0.00102 0.00050 163 5PZ 0.00344 0.00593 -0.01019 -0.00409 0.00067 164 9 O 1S -0.00020 -0.00008 0.00019 0.00038 0.00326 165 2S 0.00032 0.00054 -0.00072 -0.00144 -0.00640 166 3S 0.00234 0.00045 -0.00289 -0.00061 -0.01095 167 4PX -0.00016 -0.00771 -0.00278 0.00392 -0.01089 168 4PY 0.00176 -0.00185 -0.00618 -0.00468 0.01522 169 4PZ -0.00239 -0.01223 0.01495 0.00404 -0.00298 170 5PX 0.00023 -0.00447 -0.00121 0.00083 -0.00311 171 5PY 0.00154 -0.00113 -0.00349 -0.00151 0.00345 172 5PZ -0.00253 -0.00742 0.01007 0.00288 -0.00195 11 12 13 14 15 11 6PY 0.00913 12 6PZ -0.00158 0.00901 13 7D 0 0.01439 0.03288 0.75057 14 7D+1 -0.01409 0.00705 0.00117 0.74344 15 7D-1 0.03088 -0.03889 0.00065 -0.00097 0.75373 16 7D+2 0.01085 -0.00303 0.00018 -0.00509 -0.00244 17 7D-2 -0.02249 -0.01047 0.00171 0.00101 -0.00207 18 8D 0 0.00470 0.01083 0.24811 0.00129 0.00009 19 8D+1 -0.00447 0.00224 0.00135 0.24551 0.00059 20 8D-1 0.01064 -0.01317 0.00014 0.00025 0.24928 21 8D+2 0.00368 -0.00125 -0.00084 -0.00101 0.00039 22 8D-2 -0.00768 -0.00332 -0.00006 -0.00036 0.00005 23 2 Cu 1S 0.00003 0.00049 -0.00027 0.00203 0.00059 24 2S -0.00909 0.00709 0.00238 0.02894 -0.00485 25 3S -0.00985 0.01910 0.04152 0.13639 -0.09380 26 4PX -0.00088 -0.00072 -0.00783 -0.00126 0.00585 27 4PY 0.00430 0.00359 0.00705 0.00856 0.00087 28 4PZ -0.00178 -0.00120 -0.00354 -0.00940 0.00998 29 5PX -0.00286 0.00685 0.02774 0.02742 -0.02897 30 5PY 0.00274 0.00118 -0.01668 -0.03670 -0.01025 31 5PZ -0.00258 0.00622 0.01882 0.03953 -0.03653 32 6PX -0.00055 -0.00134 -0.00286 0.02060 -0.00027 33 6PY 0.00007 0.00009 -0.01092 0.00284 -0.00593 34 6PZ 0.00134 0.00017 0.00030 0.00805 0.00006 35 7D 0 0.00622 -0.00209 0.01448 -0.01183 0.00831 36 7D+1 -0.00657 -0.00266 -0.01042 -0.00201 0.01768 37 7D-1 -0.01875 0.01285 0.00726 0.01607 0.00344 38 7D+2 0.00000 0.01087 -0.00527 0.01062 0.01281 39 7D-2 0.00670 0.00334 0.01850 0.00047 0.00264 40 8D 0 0.00226 -0.00080 0.00058 -0.00395 0.00086 41 8D+1 -0.00223 -0.00047 -0.00081 -0.00073 0.00357 42 8D-1 -0.00620 0.00433 0.00185 0.00335 -0.00018 43 8D+2 -0.00017 0.00395 -0.00228 0.00246 0.00126 44 8D-2 0.00191 0.00129 0.00338 0.00008 -0.00073 45 3 Cu 1S 0.00073 -0.00019 -0.00154 0.00027 0.00322 46 2S 0.01114 -0.00634 -0.01270 0.00009 0.01933 47 3S 0.01536 -0.01461 -0.00936 -0.00268 0.08389 48 4PX -0.00019 0.00501 -0.00071 -0.00231 -0.00058 49 4PY -0.00352 0.00202 -0.00078 0.00040 -0.00019 50 4PZ 0.00028 -0.00123 -0.00182 0.00085 0.00205 51 5PX 0.00103 -0.00114 0.00273 0.00514 -0.00151 52 5PY 0.00019 0.00330 0.00746 -0.00209 -0.01811 53 5PZ 0.00414 -0.00175 0.00839 0.00102 0.01141 54 6PX -0.00023 0.00166 -0.00532 0.00399 -0.00402 55 6PY -0.00229 0.00149 0.00747 -0.00031 -0.00564 56 6PZ -0.00155 -0.00209 0.00273 0.00174 0.00265 57 7D 0 -0.01085 -0.00585 0.00022 0.00352 0.00452 58 7D+1 0.00941 0.00417 -0.00186 0.00038 -0.00267 59 7D-1 -0.00159 -0.00920 -0.00002 -0.00123 -0.00601 60 7D+2 -0.00301 -0.00810 0.00612 -0.00119 -0.00138 61 7D-2 -0.00101 -0.00046 -0.00142 -0.00048 -0.00111 62 8D 0 -0.00352 -0.00190 0.00047 0.00133 0.00167 63 8D+1 0.00323 0.00132 -0.00070 0.00091 -0.00106 64 8D-1 -0.00068 -0.00296 0.00060 -0.00092 -0.00385 65 8D+2 -0.00103 -0.00271 0.00297 -0.00031 -0.00147 66 8D-2 -0.00024 -0.00014 -0.00077 -0.00012 -0.00077 67 4 Cu 1S 0.00058 -0.00069 0.00128 0.00154 0.00147 68 2S 0.01117 -0.00754 0.01055 0.01131 0.00617 69 3S 0.01483 -0.01549 0.01736 0.02001 0.06669 70 4PX 0.00062 0.00242 -0.00015 -0.00105 0.00058 71 4PY -0.00308 -0.00082 -0.00217 0.00009 -0.00067 72 4PZ 0.00116 0.00087 -0.00238 0.00147 0.00136 73 5PX -0.00348 0.00421 0.00262 0.00108 -0.01469 74 5PY -0.00001 0.00542 0.00286 -0.00673 -0.01723 75 5PZ 0.00077 -0.00025 0.00912 -0.00089 0.00074 76 6PX 0.00036 -0.00125 -0.00537 -0.00328 0.00558 77 6PY -0.00082 0.00050 0.00241 -0.00920 -0.00581 78 6PZ 0.00067 -0.00144 0.00269 -0.00690 0.00419 79 7D 0 -0.00467 -0.00705 -0.00136 -0.00469 -0.00472 80 7D+1 0.01251 0.00020 0.00057 -0.00256 -0.00100 81 7D-1 0.00191 0.00424 -0.00109 -0.00168 -0.00039 82 7D+2 -0.00713 -0.01299 -0.00331 -0.00067 -0.00059 83 7D-2 0.00009 0.00109 0.00171 0.00213 0.00295 84 8D 0 -0.00163 -0.00222 -0.00019 -0.00215 -0.00255 85 8D+1 0.00416 -0.00005 -0.00065 -0.00068 -0.00040 86 8D-1 0.00049 0.00148 -0.00063 -0.00120 -0.00014 87 8D+2 -0.00233 -0.00444 -0.00136 -0.00031 -0.00042 88 8D-2 0.00009 0.00004 0.00031 0.00137 0.00241 89 5 Cu 1S 0.00000 -0.00060 -0.00005 0.00200 0.00049 90 2S -0.00964 -0.00038 -0.00826 0.02275 0.00387 91 3S -0.01270 -0.00166 -0.06170 0.07913 -0.02469 92 4PX 0.00087 -0.00572 -0.00730 0.00140 0.00266 93 4PY 0.00360 -0.00579 -0.00660 0.00248 0.00026 94 4PZ 0.00008 0.00611 -0.00360 -0.00678 -0.00317 95 5PX 0.00439 0.00220 0.02580 -0.01528 -0.01140 96 5PY 0.00366 0.00218 0.02950 -0.01916 -0.00219 97 5PZ 0.00258 0.00187 0.02812 0.01321 0.01394 98 6PX -0.00184 0.00094 -0.00016 -0.01122 -0.00773 99 6PY 0.00113 0.00436 0.01272 0.00879 -0.00847 100 6PZ 0.00173 -0.00186 -0.00019 -0.02229 0.01577 101 7D 0 0.00175 0.00189 -0.00853 0.00677 0.00451 102 7D+1 -0.00922 -0.00231 0.00639 0.02048 0.01338 103 7D-1 -0.01232 0.02437 0.00462 0.01667 -0.00074 104 7D+2 0.00219 0.01152 0.00611 -0.00056 -0.00303 105 7D-2 0.01411 -0.01108 0.00504 -0.00590 -0.00050 106 8D 0 0.00043 0.00073 -0.00224 0.00232 0.00158 107 8D+1 -0.00340 -0.00087 -0.00076 0.00316 0.00162 108 8D-1 -0.00383 0.00794 0.00022 0.00317 -0.00023 109 8D+2 0.00070 0.00366 0.00288 0.00036 0.00067 110 8D-2 0.00477 -0.00377 0.00105 -0.00113 -0.00069 111 6 Cu 1S 0.00062 0.00085 -0.00010 -0.00031 0.00054 112 2S -0.00272 0.00230 0.00913 -0.02284 0.00062 113 3S -0.00397 0.01933 0.07314 -0.14595 -0.03869 114 4PX 0.00042 0.00345 0.00819 -0.00554 -0.00107 115 4PY 0.00293 0.00252 0.00339 -0.00464 0.00249 116 4PZ -0.00087 -0.00074 -0.00414 0.01187 0.00364 117 5PX 0.00405 -0.00162 -0.03681 0.04228 0.00323 118 5PY 0.00089 0.00627 -0.00192 0.01471 -0.04225 119 5PZ -0.00650 0.00492 0.04385 -0.06621 -0.01629 120 6PX 0.00093 0.00121 0.01108 -0.00205 -0.00256 121 6PY -0.00829 -0.00307 0.00056 -0.00271 -0.01513 122 6PZ 0.00456 0.00279 0.00350 -0.00606 0.01492 123 7D 0 -0.00328 -0.00587 0.00987 0.01276 0.00527 124 7D+1 -0.00640 0.00169 0.01371 -0.00856 -0.01209 125 7D-1 -0.01208 0.00300 0.00242 -0.00968 0.01446 126 7D+2 -0.00403 0.01323 -0.00893 -0.00795 0.00918 127 7D-2 0.00700 -0.00429 -0.01174 0.00190 -0.01219 128 8D 0 -0.00082 -0.00184 0.00120 0.00184 0.00009 129 8D+1 -0.00198 0.00057 0.00170 -0.00135 -0.00331 130 8D-1 -0.00416 0.00093 0.00077 -0.00133 0.00229 131 8D+2 -0.00099 0.00451 -0.00126 -0.00106 0.00170 132 8D-2 0.00262 -0.00128 -0.00112 0.00087 -0.00233 133 7 Cu 1S -0.00008 0.00014 -0.00015 -0.00045 -0.00007 134 2S -0.00348 0.00410 -0.00359 -0.01354 -0.00432 135 3S -0.01368 0.00655 -0.05519 -0.04857 -0.03976 136 4PX -0.00256 0.00026 -0.00194 -0.00074 -0.00082 137 4PY -0.00449 -0.00465 -0.00903 0.00034 -0.00472 138 4PZ 0.00472 0.00445 0.00081 0.00029 -0.00494 139 5PX -0.00192 0.00090 0.00782 0.00952 -0.01161 140 5PY 0.00868 0.00091 0.04704 -0.00372 0.00409 141 5PZ 0.00312 0.00183 0.01026 -0.00300 0.02361 142 6PX 0.00026 0.00241 -0.01296 -0.00145 -0.00844 143 6PY 0.00356 0.00338 -0.00225 0.00524 -0.00645 144 6PZ -0.00299 -0.00264 0.00468 0.00529 -0.00033 145 7D 0 -0.00520 -0.00902 -0.00694 0.00006 -0.01219 146 7D+1 -0.00080 0.01745 0.00037 -0.00873 0.00200 147 7D-1 -0.00923 0.01824 -0.01066 0.00228 0.02244 148 7D+2 -0.01201 -0.00732 -0.00495 -0.00364 -0.00814 149 7D-2 0.00530 -0.00117 -0.00208 -0.00715 0.00221 150 8D 0 -0.00177 -0.00298 -0.00148 -0.00001 -0.00234 151 8D+1 -0.00027 0.00573 0.00059 -0.00239 0.00096 152 8D-1 -0.00327 0.00618 -0.00374 0.00105 0.00311 153 8D+2 -0.00406 -0.00240 -0.00076 -0.00128 -0.00223 154 8D-2 0.00188 -0.00036 -0.00107 -0.00272 0.00070 155 8 C 1S -0.00094 0.00264 0.00039 -0.00206 0.00254 156 2S 0.00044 -0.00679 -0.00135 0.00347 -0.00347 157 3S 0.00612 -0.00121 0.00434 0.01487 -0.03449 158 4PX -0.01030 -0.00612 -0.00163 0.00288 0.00270 159 4PY 0.00878 0.00337 -0.00256 0.00853 -0.00403 160 4PZ 0.00008 0.00133 -0.00285 -0.00216 0.00103 161 5PX -0.00049 -0.00043 -0.00091 0.00503 0.00460 162 5PY 0.00067 -0.00043 0.01208 -0.01211 -0.00262 163 5PZ -0.00162 0.00014 -0.00156 0.00120 -0.00095 164 9 O 1S -0.00478 -0.00294 -0.00020 0.00046 -0.00054 165 2S 0.00909 0.00575 -0.00024 0.00031 0.00116 166 3S 0.01255 0.00939 0.00428 -0.00928 0.00548 167 4PX -0.00069 0.00146 0.00310 -0.00460 -0.00009 168 4PY -0.02230 -0.01579 0.00244 -0.00600 0.00454 169 4PZ 0.00766 0.00027 0.00192 0.00609 -0.00253 170 5PX -0.00175 -0.00074 0.00015 -0.00183 -0.00144 171 5PY -0.00712 -0.00433 -0.00042 -0.00329 0.00436 172 5PZ 0.00409 0.00029 0.00123 0.00317 -0.00211 16 17 18 19 20 16 7D+2 0.74856 17 7D-2 -0.00049 0.75178 18 8D 0 -0.00085 -0.00004 0.08211 19 8D+1 -0.00093 -0.00046 0.00077 0.08114 20 8D-1 0.00024 0.00002 0.00002 0.00041 0.08262 21 8D+2 0.24731 -0.00066 -0.00061 -0.00009 0.00049 22 8D-2 -0.00052 0.24905 -0.00020 -0.00038 0.00023 23 2 Cu 1S 0.00142 -0.00019 0.00008 0.00088 0.00006 24 2S 0.01300 -0.00485 0.00032 0.00968 -0.00217 25 3S 0.04039 -0.01274 0.01407 0.04566 -0.03114 26 4PX 0.00493 0.00117 -0.00213 0.00032 0.00132 27 4PY 0.00200 0.00054 0.00161 0.00198 0.00138 28 4PZ -0.00188 0.00810 0.00055 -0.00134 0.00167 29 5PX -0.01810 -0.00833 0.00927 0.00931 -0.00972 30 5PY -0.00270 -0.00276 -0.00556 -0.01237 -0.00332 31 5PZ 0.02250 -0.03029 0.00635 0.01325 -0.01243 32 6PX 0.01579 0.01461 -0.00084 0.00697 0.00013 33 6PY 0.01019 0.00832 -0.00342 0.00093 -0.00226 34 6PZ 0.00273 -0.01444 0.00002 0.00278 0.00052 35 7D 0 -0.00157 0.01569 0.00090 -0.00415 0.00033 36 7D+1 0.01177 0.00343 -0.00103 -0.00160 0.00337 37 7D-1 0.01299 0.00353 0.00149 0.00336 0.00016 38 7D+2 0.00799 -0.00054 -0.00284 0.00206 0.00164 39 7D-2 0.00008 -0.00150 0.00332 0.00011 0.00001 40 8D 0 0.00110 0.00169 -0.00111 -0.00140 -0.00052 41 8D+1 0.00180 0.00157 0.00054 -0.00055 0.00034 42 8D-1 0.00275 -0.00040 0.00031 0.00046 -0.00039 43 8D+2 0.00126 -0.00174 -0.00113 0.00033 -0.00048 44 8D-2 0.00059 -0.00092 0.00017 0.00001 -0.00056 45 3 Cu 1S 0.00141 -0.00006 -0.00056 0.00015 0.00113 46 2S 0.00908 0.00255 -0.00466 -0.00017 0.00854 47 3S 0.03103 -0.03669 -0.00377 -0.00055 0.02998 48 4PX 0.00076 0.00121 -0.00027 -0.00083 -0.00018 49 4PY -0.00274 0.00060 -0.00047 0.00023 -0.00018 50 4PZ -0.00105 0.00093 -0.00083 0.00026 0.00043 51 5PX -0.00514 -0.00873 0.00093 0.00147 -0.00046 52 5PY 0.00137 0.01033 0.00279 -0.00079 -0.00624 53 5PZ 0.00957 -0.01135 0.00276 0.00041 0.00455 54 6PX 0.00129 0.00332 -0.00181 0.00128 -0.00154 55 6PY 0.00049 0.00329 0.00250 -0.00012 -0.00178 56 6PZ 0.00753 0.00474 0.00094 0.00062 0.00066 57 7D 0 -0.00034 0.00049 0.00072 0.00143 0.00178 58 7D+1 0.00012 -0.00384 -0.00071 0.00077 -0.00078 59 7D-1 -0.00486 0.00015 0.00092 -0.00111 -0.00385 60 7D+2 -0.00228 0.00348 0.00281 -0.00030 -0.00116 61 7D-2 -0.00134 0.00099 -0.00081 0.00001 -0.00068 62 8D 0 0.00054 0.00003 0.00037 0.00053 0.00067 63 8D+1 -0.00027 -0.00208 -0.00029 0.00051 -0.00032 64 8D-1 -0.00200 0.00063 0.00049 -0.00054 -0.00193 65 8D+2 -0.00073 0.00155 0.00129 -0.00007 -0.00071 66 8D-2 -0.00029 0.00091 -0.00038 0.00003 -0.00036 67 4 Cu 1S 0.00023 -0.00283 0.00041 0.00057 0.00053 68 2S -0.00053 -0.01755 0.00418 0.00408 0.00330 69 3S 0.01062 -0.05457 0.00656 0.00775 0.02304 70 4PX 0.00167 0.00220 -0.00010 -0.00042 0.00041 71 4PY -0.00212 -0.00002 -0.00071 0.00035 -0.00024 72 4PZ 0.00007 -0.00079 -0.00089 0.00054 0.00063 73 5PX -0.01006 0.00084 0.00092 0.00039 -0.00521 74 5PY 0.00550 0.01081 0.00047 -0.00271 -0.00605 75 5PZ 0.00569 -0.00710 0.00295 -0.00006 -0.00004 76 6PX -0.00820 0.00131 -0.00176 -0.00111 0.00215 77 6PY 0.00905 0.00427 0.00076 -0.00309 -0.00176 78 6PZ 0.00641 -0.00484 0.00083 -0.00228 0.00158 79 7D 0 0.00205 -0.00143 -0.00041 -0.00207 -0.00253 80 7D+1 -0.00124 0.00497 -0.00039 -0.00067 -0.00008 81 7D-1 0.00066 0.00202 -0.00074 -0.00149 0.00013 82 7D+2 0.00099 -0.00077 -0.00142 -0.00052 -0.00041 83 7D-2 0.00474 -0.00486 0.00039 0.00156 0.00237 84 8D 0 0.00102 -0.00020 -0.00007 -0.00091 -0.00120 85 8D+1 -0.00073 0.00231 -0.00040 -0.00017 -0.00004 86 8D-1 0.00031 0.00125 -0.00033 -0.00073 0.00002 87 8D+2 0.00118 0.00048 -0.00057 -0.00021 -0.00021 88 8D-2 0.00183 -0.00282 0.00005 0.00073 0.00128 89 5 Cu 1S 0.00145 -0.00011 -0.00019 0.00069 0.00024 90 2S 0.01896 0.01152 -0.00227 0.00800 0.00010 91 3S 0.09164 0.11172 -0.02071 0.02638 -0.00771 92 4PX 0.00481 0.01450 -0.00079 0.00029 0.00060 93 4PY 0.00937 0.00179 -0.00119 0.00075 -0.00029 94 4PZ -0.00033 0.00048 -0.00135 -0.00251 -0.00117 95 5PX -0.03422 -0.06048 0.00867 -0.00515 -0.00376 96 5PY -0.02899 -0.00060 0.00990 -0.00651 -0.00067 97 5PZ 0.00003 -0.01081 0.00936 0.00425 0.00462 98 6PX -0.01086 -0.00543 -0.00010 -0.00391 -0.00310 99 6PY -0.00050 0.00247 0.00404 0.00270 -0.00285 100 6PZ -0.01133 0.00495 0.00006 -0.00734 0.00508 101 7D 0 0.00304 0.00674 -0.00198 0.00284 0.00206 102 7D+1 -0.00068 -0.00765 0.00003 0.00312 0.00114 103 7D-1 -0.00428 -0.00089 0.00022 0.00281 -0.00052 104 7D+2 0.01343 -0.02156 0.00305 0.00004 0.00008 105 7D-2 -0.02084 -0.00316 0.00077 -0.00157 -0.00082 106 8D 0 -0.00008 0.00263 -0.00045 0.00098 0.00070 107 8D+1 0.00092 -0.00176 -0.00095 -0.00017 -0.00060 108 8D-1 -0.00073 -0.00068 -0.00038 0.00014 -0.00012 109 8D+2 0.00096 -0.00241 0.00130 0.00019 0.00059 110 8D-2 -0.00443 -0.00214 0.00004 -0.00025 -0.00044 111 6 Cu 1S -0.00021 -0.00035 -0.00008 -0.00007 0.00029 112 2S -0.00580 -0.00091 0.00303 -0.00739 0.00019 113 3S 0.00495 0.02173 0.02403 -0.04903 -0.01322 114 4PX -0.00052 0.00283 0.00261 -0.00098 -0.00002 115 4PY 0.00151 -0.00167 0.00088 -0.00120 0.00159 116 4PZ -0.00345 -0.00105 -0.00042 0.00303 0.00076 117 5PX -0.01280 -0.02473 -0.01194 0.01400 0.00126 118 5PY 0.00259 0.02774 -0.00073 0.00476 -0.01383 119 5PZ 0.02480 -0.00096 0.01464 -0.02173 -0.00616 120 6PX 0.00538 0.01076 0.00365 -0.00071 -0.00077 121 6PY 0.00036 0.00918 0.00026 -0.00104 -0.00533 122 6PZ -0.00471 -0.00281 0.00113 -0.00196 0.00512 123 7D 0 -0.01197 -0.01271 0.00076 0.00331 0.00025 124 7D+1 -0.00464 0.00340 0.00312 -0.00299 -0.00231 125 7D-1 0.00665 -0.01281 0.00080 -0.00156 0.00287 126 7D+2 0.00030 -0.00100 -0.00211 -0.00119 0.00197 127 7D-2 -0.00149 0.00228 -0.00209 0.00074 -0.00225 128 8D 0 -0.00128 -0.00342 -0.00042 0.00030 -0.00045 129 8D+1 -0.00089 0.00046 0.00009 -0.00049 -0.00053 130 8D-1 0.00077 -0.00224 0.00027 0.00007 0.00014 131 8D+2 -0.00016 0.00073 -0.00013 0.00011 0.00025 132 8D-2 -0.00072 0.00042 0.00020 0.00033 -0.00016 133 7 Cu 1S -0.00066 -0.00015 -0.00006 -0.00021 -0.00013 134 2S -0.01538 -0.00085 -0.00126 -0.00489 -0.00223 135 3S -0.13889 0.00811 -0.01824 -0.01751 -0.01434 136 4PX -0.00022 -0.00625 -0.00050 -0.00020 -0.00023 137 4PY -0.01561 0.00138 -0.00189 0.00013 -0.00091 138 4PZ 0.00346 -0.00067 -0.00015 0.00002 -0.00227 139 5PX -0.01058 0.01261 0.00288 0.00312 -0.00401 140 5PY 0.07645 0.00474 0.01565 -0.00119 0.00180 141 5PZ -0.00245 -0.01238 0.00346 -0.00074 0.00780 142 6PX -0.01381 -0.00905 -0.00422 -0.00055 -0.00303 143 6PY 0.00015 0.00469 -0.00081 0.00173 -0.00248 144 6PZ 0.02147 -0.00673 0.00163 0.00193 -0.00007 145 7D 0 -0.00542 -0.00071 -0.00201 0.00038 -0.00099 146 7D+1 -0.00325 -0.00675 0.00071 -0.00279 0.00048 147 7D-1 -0.00444 0.00240 -0.00284 0.00072 0.00345 148 7D+2 -0.01841 0.00555 -0.00136 -0.00079 -0.00069 149 7D-2 0.00321 0.02652 -0.00121 -0.00226 0.00053 150 8D 0 -0.00153 0.00071 -0.00037 0.00014 0.00023 151 8D+1 -0.00055 -0.00117 0.00040 -0.00076 0.00029 152 8D-1 -0.00091 0.00082 -0.00102 0.00033 -0.00030 153 8D+2 -0.00408 0.00097 -0.00017 -0.00028 -0.00008 154 8D-2 0.00165 0.00433 -0.00053 -0.00087 0.00015 155 8 C 1S -0.00053 -0.00175 0.00011 -0.00055 0.00064 156 2S 0.00075 0.00248 -0.00044 0.00114 -0.00109 157 3S 0.01057 0.02533 0.00122 0.00486 -0.01102 158 4PX -0.00106 -0.00629 -0.00016 0.00107 0.00083 159 4PY 0.00202 0.00090 -0.00114 0.00281 -0.00089 160 4PZ -0.00998 -0.00594 -0.00080 -0.00035 0.00011 161 5PX -0.00382 -0.00376 -0.00021 0.00170 0.00150 162 5PY 0.00647 0.00262 0.00401 -0.00399 -0.00077 163 5PZ -0.00857 -0.00237 -0.00046 0.00048 -0.00036 164 9 O 1S -0.00006 0.00020 -0.00013 0.00010 0.00001 165 2S -0.00032 -0.00035 0.00007 0.00015 0.00001 166 3S 0.00195 -0.00294 0.00141 -0.00302 0.00154 167 4PX -0.00010 0.00443 0.00076 -0.00159 0.00026 168 4PY -0.00164 -0.00071 0.00108 -0.00197 0.00127 169 4PZ 0.00632 0.00772 0.00055 0.00220 -0.00053 170 5PX 0.00065 0.00355 -0.00005 -0.00065 -0.00040 171 5PY -0.00239 -0.00224 -0.00013 -0.00109 0.00141 172 5PZ 0.00600 0.00558 0.00032 0.00108 -0.00053 21 22 23 24 25 21 8D+2 0.08179 22 8D-2 -0.00038 0.08265 23 2 Cu 1S 0.00048 -0.00023 1.00535 24 2S 0.00459 -0.00053 0.00734 0.17689 25 3S 0.01358 -0.00484 0.00672 0.08060 0.21025 26 4PX 0.00177 -0.00016 -0.00308 -0.01964 0.03709 27 4PY 0.00079 0.00111 -0.00071 -0.00391 0.00937 28 4PZ -0.00066 0.00176 -0.00102 -0.00566 0.01281 29 5PX -0.00592 -0.00281 0.00243 0.02695 0.06076 30 5PY -0.00092 -0.00093 0.00063 0.00488 0.01758 31 5PZ 0.00746 -0.01013 0.00078 0.00652 0.02320 32 6PX 0.00529 0.00455 0.00134 -0.00976 0.01703 33 6PY 0.00322 0.00262 0.00019 -0.00930 0.00443 34 6PZ 0.00117 -0.00498 0.00043 -0.00836 0.00779 35 7D 0 0.00055 0.00161 0.00024 0.00127 0.00728 36 7D+1 0.00145 0.00224 -0.00012 -0.00167 -0.03864 37 7D-1 0.00290 0.00000 0.00009 0.01001 0.08038 38 7D+2 0.00140 -0.00130 -0.00056 -0.00393 -0.03575 39 7D-2 0.00106 -0.00103 -0.00001 -0.00246 -0.04174 40 8D 0 0.00073 -0.00067 0.00002 -0.00012 0.00187 41 8D+1 -0.00023 0.00090 -0.00002 0.00111 -0.01155 42 8D-1 0.00045 -0.00054 0.00015 0.00228 0.02619 43 8D+2 0.00000 -0.00094 -0.00013 0.00016 -0.01066 44 8D-2 0.00055 -0.00045 -0.00002 0.00089 -0.01263 45 3 Cu 1S 0.00048 -0.00003 -0.00122 -0.00334 -0.00034 46 2S 0.00373 0.00048 -0.00346 0.07968 0.00745 47 3S 0.01141 -0.01196 -0.00041 0.00600 -0.06085 48 4PX 0.00026 0.00068 0.00067 0.00968 0.00883 49 4PY -0.00081 0.00020 0.00148 0.01373 0.00741 50 4PZ -0.00048 0.00037 -0.00081 -0.00516 -0.00151 51 5PX -0.00172 -0.00333 0.00067 -0.02393 0.00270 52 5PY -0.00016 0.00352 0.00072 -0.02237 0.00457 53 5PZ 0.00314 -0.00364 -0.00033 0.00045 -0.01028 54 6PX 0.00038 0.00134 0.00075 0.00447 0.01266 55 6PY 0.00020 0.00099 0.00032 0.00940 0.01742 56 6PZ 0.00253 0.00173 0.00013 -0.00630 -0.00859 57 7D 0 0.00036 0.00027 -0.00105 -0.01268 -0.05058 58 7D+1 -0.00009 -0.00217 0.00008 -0.00417 -0.02719 59 7D-1 -0.00204 0.00045 0.00068 -0.00229 -0.08128 60 7D+2 -0.00108 0.00154 0.00142 0.01142 0.02363 61 7D-2 -0.00024 0.00113 0.00188 0.02630 0.13680 62 8D 0 0.00033 0.00005 -0.00043 -0.00401 -0.01727 63 8D+1 -0.00013 -0.00102 -0.00014 -0.00037 -0.00962 64 8D-1 -0.00083 0.00035 0.00012 -0.00141 -0.02698 65 8D+2 -0.00036 0.00067 0.00043 0.00418 0.00785 66 8D-2 -0.00002 0.00056 0.00087 0.00878 0.04566 67 4 Cu 1S 0.00009 -0.00099 0.00035 -0.00135 -0.00140 68 2S 0.00001 -0.00761 -0.00134 -0.05501 -0.00916 69 3S 0.00401 -0.02006 -0.00138 -0.00909 0.02960 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0.00077 -0.00080 -0.00611 -0.01508 110 8D-2 -0.00071 -0.00085 -0.00017 -0.00192 -0.00235 111 6 Cu 1S -0.00007 -0.00019 -0.00167 -0.00255 -0.00327 112 2S -0.00168 -0.00029 -0.00414 0.05199 0.01103 113 3S 0.00097 0.00745 -0.00385 -0.00645 -0.07306 114 4PX -0.00060 0.00083 0.00176 0.02585 0.01620 115 4PY 0.00043 -0.00103 -0.00045 -0.00348 0.00489 116 4PZ -0.00102 0.00002 -0.00024 -0.00048 0.00211 117 5PX -0.00429 -0.00876 0.00267 -0.05170 0.01746 118 5PY 0.00075 0.00901 0.00005 -0.00164 -0.01911 119 5PZ 0.00815 -0.00009 -0.00025 -0.00515 -0.01451 120 6PX 0.00175 0.00364 0.00083 0.01170 0.00669 121 6PY 0.00014 0.00318 0.00021 0.00597 -0.00212 122 6PZ -0.00170 -0.00091 0.00004 -0.00298 -0.00437 123 7D 0 -0.00272 -0.00335 -0.00027 -0.01080 -0.06498 124 7D+1 -0.00071 -0.00003 0.00149 0.00646 0.03246 125 7D-1 0.00115 -0.00271 0.00028 0.01644 0.03425 126 7D+2 -0.00080 0.00036 0.00047 0.02015 0.09120 127 7D-2 -0.00096 0.00006 0.00119 -0.00009 0.00203 128 8D 0 -0.00002 -0.00087 -0.00001 -0.00351 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0.01440 164 9 O 1S 0.00204 -0.00336 0.00025 1.05933 165 2S -0.00131 0.00215 -0.00027 -0.12965 0.30261 166 3S 0.00457 -0.00755 -0.00048 -0.12452 0.26258 167 4PX 0.03221 -0.00053 -0.00360 -0.00981 0.01703 168 4PY -0.00054 0.03242 0.00640 0.01602 -0.02777 169 4PZ -0.00292 0.00529 0.02196 0.00307 -0.00601 170 5PX 0.00889 0.00281 -0.00111 -0.00895 0.02144 171 5PY 0.00280 0.00585 0.00218 0.01463 -0.03504 172 5PZ -0.00094 0.00190 0.00334 0.00240 -0.00600 166 167 168 169 170 166 3S 0.26988 167 4PX 0.08036 0.41859 168 4PY -0.13124 -0.00718 0.42641 169 4PZ -0.02334 0.00285 -0.00569 0.43427 170 5PX 0.02975 0.14196 0.03540 0.00763 0.05370 171 5PY -0.04849 0.03547 0.10589 -0.01308 0.01956 172 5PZ -0.01024 0.00658 -0.01134 0.17371 0.00418 171 172 171 5PY 0.03383 172 5PZ -0.00720 0.07205 BETA DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.00537 2 2S 0.00759 0.17699 3 3S 0.00632 0.08792 0.20334 4 4PX -0.00131 -0.00744 0.01466 0.99683 5 4PY -0.00227 -0.01470 0.02670 0.00029 0.99621 6 4PZ 0.00214 0.01239 -0.02420 0.00063 -0.00033 7 5PX 0.00102 0.00990 0.02321 0.01604 0.00161 8 5PY 0.00179 0.02305 0.04912 0.00172 0.02050 9 5PZ -0.00163 -0.01645 -0.03726 -0.00367 -0.00294 10 6PX 0.00044 -0.00225 0.00670 -0.01734 0.00289 11 6PY 0.00095 -0.01622 0.01053 0.00306 -0.00440 12 6PZ -0.00080 0.00398 -0.01042 -0.00855 -0.00588 13 7D 0 -0.00009 0.00026 -0.00129 -0.00145 0.00118 14 7D+1 0.00022 -0.00573 -0.04643 0.00050 -0.00055 15 7D-1 0.00023 0.00505 0.06823 0.00033 -0.00101 16 7D+2 0.00008 -0.00331 -0.03307 -0.00053 0.00147 17 7D-2 -0.00020 -0.00414 -0.05270 0.00054 0.00089 18 8D 0 0.00000 -0.00016 -0.00056 -0.00030 0.00025 19 8D+1 -0.00015 -0.00122 -0.01522 -0.00026 -0.00051 20 8D-1 0.00004 -0.00140 0.02023 -0.00019 -0.00081 21 8D+2 -0.00008 -0.00138 -0.01133 -0.00014 -0.00007 22 8D-2 -0.00006 0.00065 -0.01596 0.00037 0.00056 23 2 Cu 1S -0.00120 -0.00321 -0.00006 0.00040 -0.00085 24 2S -0.00337 0.07922 0.00959 0.00826 -0.00644 25 3S -0.00011 0.01078 -0.05824 0.00821 -0.00194 26 4PX -0.00123 -0.00792 -0.00120 0.00005 0.00038 27 4PY 0.00056 0.00719 0.00626 -0.00091 0.00005 28 4PZ -0.00126 -0.01396 -0.01064 0.00138 0.00000 29 5PX -0.00019 0.00624 -0.00753 -0.00078 -0.00033 30 5PY 0.00036 -0.01786 -0.00210 0.00161 0.00071 31 5PZ -0.00074 0.02764 -0.00540 -0.00113 -0.00266 32 6PX 0.00018 -0.00575 -0.01138 0.00581 -0.00037 33 6PY 0.00067 0.00151 0.00938 0.00675 0.00288 34 6PZ -0.00066 -0.01152 -0.01792 -0.00699 0.00067 35 7D 0 0.00096 0.01466 0.06726 0.00931 -0.00780 36 7D+1 -0.00052 0.00488 0.08817 0.00303 -0.00685 37 7D-1 -0.00186 -0.02644 -0.12923 -0.00677 -0.00277 38 7D+2 -0.00129 -0.00873 0.00345 -0.00339 -0.00337 39 7D-2 0.00012 -0.00344 -0.00972 -0.00088 -0.00047 40 8D 0 0.00049 0.00446 0.02278 0.00232 -0.00236 41 8D+1 0.00004 0.00191 0.02931 -0.00058 -0.00157 42 8D-1 -0.00078 -0.00939 -0.04314 -0.00135 -0.00163 43 8D+2 -0.00043 -0.00233 0.00116 -0.00143 -0.00118 44 8D-2 -0.00011 0.00012 -0.00369 0.00074 -0.00065 45 3 Cu 1S 0.00037 -0.00151 -0.00126 0.00049 0.00096 46 2S -0.00147 -0.05683 -0.01619 0.00710 -0.00086 47 3S -0.00116 -0.01858 0.02446 -0.00333 0.00183 48 4PX 0.00026 0.00756 -0.00465 0.00106 0.00009 49 4PY -0.00045 0.00440 -0.00541 0.00050 -0.00035 50 4PZ 0.00103 -0.00049 0.00181 0.00025 0.00065 51 5PX 0.00003 -0.01711 -0.00244 -0.00300 -0.00041 52 5PY 0.00061 -0.00898 0.00147 -0.00142 0.00034 53 5PZ -0.00050 -0.00058 -0.00323 -0.00118 0.00047 54 6PX 0.00038 0.00234 0.00536 0.00421 0.00064 55 6PY -0.00025 -0.00230 -0.01168 0.00390 -0.00135 56 6PZ 0.00065 0.01648 0.01924 -0.00026 0.00050 57 7D 0 -0.00103 -0.00820 -0.04171 0.00154 -0.00059 58 7D+1 0.00075 0.00910 -0.01539 0.00088 0.00170 59 7D-1 0.00297 0.01599 0.07338 0.00026 0.00100 60 7D+2 0.00163 0.01114 0.01898 0.00094 0.00023 61 7D-2 -0.00059 -0.00611 -0.01369 -0.00167 -0.00016 62 8D 0 -0.00033 -0.00322 -0.01465 0.00055 0.00011 63 8D+1 0.00025 0.00291 -0.00456 0.00057 0.00047 64 8D-1 0.00105 0.00744 0.02657 0.00000 0.00023 65 8D+2 0.00059 0.00429 0.00733 0.00026 0.00024 66 8D-2 -0.00016 -0.00254 -0.00472 -0.00065 -0.00009 67 4 Cu 1S 0.00039 -0.00142 -0.00082 0.00025 0.00093 68 2S -0.00139 -0.05583 -0.01472 -0.00730 -0.00177 69 3S -0.00081 -0.01606 0.02479 0.00831 0.00295 70 4PX -0.00102 -0.00278 -0.00044 0.00034 -0.00055 71 4PY -0.00058 0.00364 -0.00717 -0.00088 -0.00044 72 4PZ 0.00015 -0.00756 0.00491 0.00114 0.00031 73 5PX 0.00035 0.00751 0.00453 -0.00295 -0.00067 74 5PY 0.00051 -0.00755 0.00214 0.00007 0.00024 75 5PZ -0.00029 0.01652 0.00213 -0.00305 0.00018 76 6PX -0.00070 -0.01472 -0.01697 0.00001 -0.00057 77 6PY -0.00039 -0.00486 -0.01498 -0.00381 -0.00189 78 6PZ -0.00014 0.00369 0.00278 0.00561 0.00023 79 7D 0 0.00091 0.00419 0.03566 0.00153 -0.00060 80 7D+1 0.00170 0.01492 0.01856 0.00024 0.00168 81 7D-1 0.00195 0.01341 0.04016 -0.00051 0.00052 82 7D+2 0.00075 0.00490 -0.00974 -0.00062 0.00029 83 7D-2 -0.00236 -0.01110 -0.06345 -0.00143 -0.00088 84 8D 0 0.00033 0.00188 0.01244 0.00042 -0.00011 85 8D+1 0.00058 0.00545 0.00746 -0.00003 0.00035 86 8D-1 0.00065 0.00591 0.01454 -0.00007 0.00017 87 8D+2 0.00028 0.00163 -0.00276 -0.00047 0.00033 88 8D-2 -0.00084 -0.00537 -0.02291 -0.00058 -0.00015 89 5 Cu 1S -0.00119 -0.00324 0.00001 -0.00164 -0.00095 90 2S -0.00323 0.07930 0.01170 -0.01560 -0.00785 91 3S 0.00001 0.01132 -0.05907 -0.01072 -0.00331 92 4PX 0.00162 0.01527 0.00956 0.00099 -0.00002 93 4PY 0.00078 0.00852 0.00757 0.00128 0.00015 94 4PZ 0.00071 0.00172 -0.00293 -0.00057 -0.00041 95 5PX 0.00072 -0.02562 0.00909 0.00059 0.00246 96 5PY 0.00038 -0.01987 -0.00079 0.00064 0.00086 97 5PZ -0.00020 0.00550 0.00590 -0.00021 -0.00067 98 6PX 0.00053 0.01307 0.02135 -0.00197 -0.00098 99 6PY 0.00061 0.00221 0.00943 -0.00867 0.00192 100 6PZ -0.00044 0.00126 0.00246 0.00528 0.00123 101 7D 0 -0.00079 -0.01262 -0.07225 0.00773 0.00468 102 7D+1 -0.00144 -0.00925 0.02147 -0.00414 -0.00132 103 7D-1 -0.00091 -0.00808 -0.04571 -0.00351 -0.00100 104 7D+2 -0.00047 0.00381 0.06284 -0.00478 -0.01092 105 7D-2 0.00154 0.02618 0.13558 -0.01416 -0.00006 106 8D 0 -0.00043 -0.00376 -0.02427 0.00099 0.00085 107 8D+1 -0.00046 -0.00235 0.00687 -0.00082 -0.00011 108 8D-1 -0.00021 -0.00409 -0.01492 -0.00051 -0.00008 109 8D+2 0.00000 0.00140 0.02109 0.00029 -0.00323 110 8D-2 0.00074 0.00883 0.04542 -0.00256 0.00107 111 6 Cu 1S -0.00128 -0.00268 -0.00311 -0.00034 -0.00048 112 2S -0.00355 0.04029 0.00806 -0.00375 -0.00458 113 3S -0.00382 -0.01516 -0.06430 -0.01266 -0.00784 114 4PX 0.00102 0.01324 0.00511 0.00155 -0.00071 115 4PY 0.00031 0.00719 0.01022 0.00029 0.00068 116 4PZ -0.00166 -0.02019 -0.01287 0.00071 0.00112 117 5PX 0.00135 -0.02095 0.01014 -0.00313 0.00378 118 5PY 0.00038 -0.02503 -0.01691 -0.00058 -0.00095 119 5PZ -0.00232 0.03276 -0.01186 -0.00587 -0.00619 120 6PX 0.00001 0.00588 0.00255 0.00428 0.00039 121 6PY 0.00032 0.01206 0.00412 -0.00015 0.00224 122 6PZ -0.00031 -0.01397 -0.00984 0.00040 -0.00043 123 7D 0 -0.00073 0.00412 0.03325 -0.00761 -0.00289 124 7D+1 -0.00003 -0.01987 -0.09783 0.00241 0.00424 125 7D-1 -0.00105 -0.01299 -0.06208 0.00572 -0.00548 126 7D+2 -0.00108 -0.00819 -0.01856 0.00073 -0.00201 127 7D-2 0.00047 0.00720 0.02759 -0.00016 0.00404 128 8D 0 -0.00027 -0.00010 0.01030 -0.00193 -0.00106 129 8D+1 0.00015 -0.00551 -0.03143 -0.00043 0.00152 130 8D-1 -0.00050 -0.00428 -0.02048 0.00161 -0.00203 131 8D+2 -0.00034 -0.00439 -0.00652 0.00097 -0.00076 132 8D-2 0.00031 0.00184 0.00903 0.00045 0.00154 133 7 Cu 1S -0.00123 -0.00441 -0.00241 -0.00032 -0.00141 134 2S -0.00412 0.05131 0.00338 -0.00319 -0.00896 135 3S -0.00256 -0.03432 -0.06188 -0.00441 -0.01818 136 4PX -0.00009 0.00246 -0.00097 0.00122 0.00056 137 4PY 0.00197 0.02112 0.01569 -0.00043 0.00044 138 4PZ -0.00001 -0.00536 -0.00007 0.00073 -0.00070 139 5PX -0.00018 -0.00760 -0.00492 -0.00354 -0.00067 140 5PY 0.00226 -0.02525 0.00709 0.00260 0.00508 141 5PZ 0.00013 0.01357 0.00873 -0.00149 0.00025 142 6PX 0.00032 -0.00946 0.00059 0.00423 -0.00106 143 6PY -0.00011 0.00376 0.01269 -0.00044 0.00380 144 6PZ -0.00032 0.01513 0.00062 0.00171 0.00179 145 7D 0 0.00082 0.00089 -0.04448 -0.00237 0.00748 146 7D+1 -0.00104 -0.01970 -0.03880 -0.00251 -0.00091 147 7D-1 -0.00228 -0.02345 -0.08159 -0.00022 0.00597 148 7D+2 0.00026 -0.01778 -0.11403 0.00339 0.01325 149 7D-2 0.00152 0.01314 0.04129 0.00840 -0.00232 150 8D 0 0.00026 0.00080 -0.01453 -0.00072 0.00075 151 8D+1 -0.00033 -0.00695 -0.01305 -0.00092 0.00002 152 8D-1 -0.00085 -0.00771 -0.02749 -0.00001 0.00152 153 8D+2 0.00006 -0.00517 -0.03756 0.00141 0.00164 154 8D-2 0.00057 0.00439 0.01403 0.00329 -0.00070 155 8 C 1S -0.00053 0.00361 -0.01043 0.00009 -0.00086 156 2S 0.00114 -0.00869 0.02110 -0.00004 0.00187 157 3S 0.00244 -0.01457 0.01515 0.00092 0.00328 158 4PX -0.00031 -0.00736 -0.00819 -0.00131 -0.00124 159 4PY 0.00063 -0.01990 -0.00128 -0.00098 0.00194 160 4PZ -0.00008 0.01595 0.00106 -0.00158 0.00005 161 5PX -0.00014 -0.00111 -0.00126 0.00065 -0.00071 162 5PY 0.00021 -0.01192 -0.00202 -0.00064 -0.00058 163 5PZ 0.00011 0.00477 -0.00048 -0.00166 0.00113 164 9 O 1S -0.00029 -0.00067 0.00144 -0.00007 0.00016 165 2S 0.00060 0.00237 -0.00286 0.00032 -0.00030 166 3S 0.00005 -0.00243 -0.00945 -0.00054 -0.00101 167 4PX 0.00019 0.01067 -0.01321 0.00145 0.00069 168 4PY 0.00018 0.01430 0.00785 0.00137 -0.00125 169 4PZ -0.00039 -0.02076 -0.00447 0.00134 0.00069 170 5PX 0.00022 0.00757 -0.00324 0.00068 0.00087 171 5PY -0.00028 0.00789 0.00058 0.00025 -0.00018 172 5PZ -0.00015 -0.01159 -0.00219 0.00164 -0.00049 6 7 8 9 10 6 4PZ 0.99638 7 5PX -0.00360 0.02409 8 5PY -0.00310 0.00601 0.02154 9 5PZ 0.01946 0.00375 -0.00836 0.02167 10 6PX -0.00843 0.00393 0.00012 0.00171 0.01078 11 6PY -0.00594 0.00038 0.00218 -0.00002 0.00108 12 6PZ -0.00956 0.00190 0.00055 0.00240 0.00173 13 7D 0 0.00087 0.01664 0.01609 0.03541 0.02849 14 7D+1 -0.00135 0.02637 -0.00776 -0.00687 0.02418 15 7D-1 0.00039 -0.00893 0.02137 -0.02934 -0.01116 16 7D+2 0.00128 -0.02276 0.02003 0.00403 -0.02228 17 7D-2 0.00039 -0.03897 -0.01521 -0.00851 -0.05049 18 8D 0 -0.00007 0.00567 0.00516 0.01166 0.00949 19 8D+1 0.00022 0.00862 -0.00261 -0.00203 0.00808 20 8D-1 0.00060 -0.00342 0.00614 -0.00899 -0.00355 21 8D+2 0.00047 -0.00758 0.00617 0.00137 -0.00725 22 8D-2 -0.00015 -0.01265 -0.00448 -0.00331 -0.01687 23 2 Cu 1S 0.00172 0.00058 -0.00029 0.00052 0.00092 24 2S 0.01428 -0.02307 0.00608 -0.02282 0.00604 25 3S 0.00944 -0.00168 -0.00851 0.00620 0.01166 26 4PX -0.00012 0.00261 -0.00054 0.00209 0.00341 27 4PY -0.00095 0.00087 -0.00069 0.00080 0.00704 28 4PZ 0.00074 0.00069 -0.00082 0.00022 -0.00910 29 5PX 0.00084 0.00227 0.00105 0.00125 0.00590 30 5PY -0.00143 -0.00241 0.00081 -0.00458 -0.00035 31 5PZ 0.00140 0.00521 -0.00219 0.00473 0.00470 32 6PX 0.00172 -0.00003 -0.00284 0.00298 -0.00228 33 6PY 0.00561 0.00204 0.00402 -0.00355 -0.00374 34 6PZ -0.00229 0.00250 -0.00571 0.00818 0.00310 35 7D 0 0.00139 -0.02870 0.03264 -0.01717 -0.00858 36 7D+1 0.01079 0.00142 0.02664 -0.04758 -0.00265 37 7D-1 -0.00852 0.02860 -0.00643 0.04075 -0.01415 38 7D+2 0.00210 0.00948 0.01876 0.00617 -0.00459 39 7D-2 -0.00856 0.00685 -0.00593 0.02553 0.01778 40 8D 0 -0.00107 -0.00957 0.01092 -0.00585 -0.00278 41 8D+1 0.00171 0.00030 0.00890 -0.01606 -0.00053 42 8D-1 -0.00156 0.00965 -0.00236 0.01375 -0.00464 43 8D+2 0.00047 0.00301 0.00635 0.00202 -0.00123 44 8D-2 -0.00191 0.00227 -0.00202 0.00839 0.00582 45 3 Cu 1S -0.00052 -0.00016 -0.00050 0.00071 0.00041 46 2S 0.00518 -0.01646 0.00085 -0.01040 0.00693 47 3S -0.00618 -0.00414 -0.00268 0.00112 0.00988 48 4PX 0.00076 -0.00325 -0.00123 -0.00151 0.00390 49 4PY 0.00089 -0.00227 -0.00044 -0.00072 0.00272 50 4PZ -0.00036 -0.00038 0.00056 -0.00007 0.00106 51 5PX -0.00264 0.00947 0.00191 0.00506 0.00060 52 5PY -0.00037 0.00477 0.00483 -0.00078 -0.00375 53 5PZ -0.00097 0.00137 -0.00310 0.00589 0.00420 54 6PX 0.00358 0.00051 0.00305 -0.00332 -0.00109 55 6PY 0.00241 -0.00084 -0.00252 0.00200 0.00145 56 6PZ -0.00286 0.00299 0.00324 -0.00190 -0.00052 57 7D 0 0.00061 -0.00495 -0.00600 0.00634 0.00529 58 7D+1 0.00074 -0.00986 -0.00944 0.00435 0.00101 59 7D-1 -0.00120 -0.00027 0.01255 -0.01476 -0.00084 60 7D+2 -0.00117 -0.00333 0.00064 -0.00438 0.00789 61 7D-2 -0.00048 0.00371 0.00380 0.00311 0.00665 62 8D 0 0.00024 -0.00167 -0.00214 0.00243 0.00184 63 8D+1 0.00028 -0.00367 -0.00288 0.00134 0.00055 64 8D-1 -0.00047 0.00016 0.00489 -0.00515 -0.00056 65 8D+2 -0.00015 -0.00108 0.00017 -0.00200 0.00260 66 8D-2 -0.00009 0.00095 0.00133 0.00109 0.00216 67 4 Cu 1S -0.00069 -0.00049 -0.00047 0.00027 -0.00006 68 2S -0.00463 0.01570 0.00288 0.01109 0.00258 69 3S -0.00071 0.00093 -0.00258 0.00488 0.00858 70 4PX 0.00063 -0.00142 -0.00023 -0.00111 0.00187 71 4PY -0.00007 0.00097 -0.00037 0.00244 -0.00292 72 4PZ 0.00049 -0.00254 0.00103 -0.00209 0.00584 73 5PX -0.00107 0.00867 0.00269 0.00175 -0.00126 74 5PY 0.00132 -0.00069 0.00478 -0.00473 -0.00029 75 5PZ -0.00115 0.00578 -0.00233 0.00690 -0.00002 76 6PX 0.00154 -0.00113 -0.00333 0.00348 -0.00079 77 6PY -0.00163 -0.00205 -0.00353 0.00216 -0.00281 78 6PZ 0.00252 -0.00248 -0.00184 0.00022 0.00138 79 7D 0 -0.00011 0.00472 0.00788 -0.00834 0.00496 80 7D+1 -0.00009 0.00351 -0.00211 0.00416 -0.00535 81 7D-1 -0.00168 0.00979 0.00178 0.00154 0.00331 82 7D+2 -0.00168 0.00231 -0.00432 0.00706 0.00471 83 7D-2 -0.00013 -0.00954 -0.01439 0.00748 -0.00795 84 8D 0 0.00024 0.00190 0.00247 -0.00315 0.00168 85 8D+1 -0.00014 0.00167 -0.00038 0.00145 -0.00177 86 8D-1 -0.00068 0.00330 0.00080 0.00008 0.00110 87 8D+2 -0.00056 0.00098 -0.00134 0.00243 0.00153 88 8D-2 -0.00016 -0.00322 -0.00546 0.00272 -0.00267 89 5 Cu 1S 0.00031 -0.00067 -0.00035 -0.00037 -0.00071 90 2S -0.00200 0.02932 0.00932 0.01204 -0.00910 91 3S -0.00552 -0.00543 -0.00839 0.00409 -0.01972 92 4PX 0.00091 0.00160 0.00123 0.00099 -0.00347 93 4PY 0.00053 -0.00062 -0.00077 -0.00051 -0.00693 94 4PZ -0.00032 0.00268 0.00033 0.00104 0.00213 95 5PX -0.00161 0.00634 0.00242 0.00311 0.00896 96 5PY -0.00189 0.00531 0.00135 0.00054 0.00125 97 5PZ 0.00048 -0.00050 -0.00172 0.00032 0.00508 98 6PX -0.00348 0.00828 0.00722 -0.00172 0.00074 99 6PY 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158 4PX -0.00130 0.00072 0.00186 0.00498 0.00491 159 4PY -0.00016 0.00542 -0.00421 -0.00227 -0.00672 160 4PZ -0.00095 0.00248 -0.00100 0.00308 -0.00314 161 5PX -0.00188 0.00259 0.00121 0.00151 -0.00001 162 5PY 0.00073 0.00051 -0.00116 0.00023 0.00070 163 5PZ 0.00093 0.00132 -0.00105 0.00220 -0.00060 164 9 O 1S 0.00002 0.00032 -0.00060 -0.00017 0.00337 165 2S -0.00033 -0.00066 0.00163 0.00024 -0.00673 166 3S 0.00135 -0.00139 0.00054 0.00166 -0.01130 167 4PX 0.00088 -0.00582 -0.00646 0.00121 -0.01027 168 4PY -0.00018 -0.00548 0.00080 0.00039 0.01436 169 4PZ 0.00130 -0.00529 0.00133 -0.00532 -0.00099 170 5PX 0.00066 -0.00377 -0.00261 -0.00022 -0.00286 171 5PY 0.00073 -0.00270 -0.00051 0.00054 0.00315 172 5PZ -0.00004 -0.00278 0.00094 -0.00340 -0.00066 11 12 13 14 15 11 6PY 0.00888 12 6PZ -0.00159 0.00891 13 7D 0 0.01394 0.03271 0.74665 14 7D+1 -0.01321 0.00699 0.00412 0.74219 15 7D-1 0.03001 -0.03887 0.00292 -0.00264 0.75419 16 7D+2 0.01071 -0.00321 -0.00534 -0.00147 -0.00085 17 7D-2 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-0.01734 0.01403 0.01146 0.01325 0.00204 38 7D+2 -0.00147 0.00961 -0.00934 0.01329 0.01408 39 7D-2 0.00720 0.00420 0.02067 -0.00093 0.00138 40 8D 0 0.00235 -0.00077 0.00150 -0.00444 0.00058 41 8D+1 -0.00214 -0.00035 -0.00031 -0.00104 0.00330 42 8D-1 -0.00574 0.00469 0.00311 0.00249 -0.00066 43 8D+2 -0.00068 0.00355 -0.00364 0.00339 0.00170 44 8D-2 0.00204 0.00160 0.00415 -0.00034 -0.00113 45 3 Cu 1S 0.00076 -0.00017 -0.00152 0.00030 0.00314 46 2S 0.01252 -0.00536 -0.00908 -0.00172 0.01786 47 3S 0.01620 -0.01420 -0.00889 -0.00089 0.08114 48 4PX -0.00051 0.00489 -0.00183 -0.00157 -0.00002 49 4PY -0.00310 0.00240 0.00102 -0.00085 -0.00090 50 4PZ 0.00069 -0.00090 -0.00038 -0.00009 0.00129 51 5PX 0.00197 -0.00071 0.00610 0.00312 -0.00330 52 5PY -0.00085 0.00223 0.00263 0.00064 -0.01550 53 5PZ 0.00274 -0.00299 0.00237 0.00533 0.01350 54 6PX -0.00047 0.00154 -0.00596 0.00400 -0.00365 55 6PY -0.00198 0.00161 0.00831 -0.00104 -0.00579 56 6PZ -0.00152 -0.00194 0.00339 0.00125 0.00225 57 7D 0 -0.00923 -0.00448 0.00539 0.00014 0.00244 58 7D+1 0.00871 0.00386 -0.00386 0.00208 -0.00183 59 7D-1 -0.00091 -0.00815 0.00273 -0.00323 -0.00641 60 7D+2 -0.00270 -0.00790 0.00708 -0.00208 -0.00202 61 7D-2 -0.00051 -0.00012 -0.00014 -0.00120 -0.00161 62 8D 0 -0.00301 -0.00148 0.00210 0.00027 0.00098 63 8D+1 0.00302 0.00122 -0.00133 0.00146 -0.00075 64 8D-1 -0.00048 -0.00260 0.00156 -0.00159 -0.00401 65 8D+2 -0.00091 -0.00263 0.00334 -0.00068 -0.00166 66 8D-2 -0.00005 -0.00003 -0.00028 -0.00044 -0.00090 67 4 Cu 1S 0.00059 -0.00068 0.00129 0.00160 0.00143 68 2S 0.01235 -0.00800 0.01298 0.00954 0.00527 69 3S 0.01534 -0.01531 0.01868 0.02136 0.06499 70 4PX 0.00034 0.00222 -0.00124 -0.00039 0.00103 71 4PY -0.00262 -0.00055 -0.00023 -0.00123 -0.00130 72 4PZ 0.00163 0.00128 -0.00060 0.00047 0.00059 73 5PX -0.00251 0.00496 0.00661 -0.00210 -0.01604 74 5PY -0.00112 0.00456 -0.00203 -0.00349 -0.01486 75 5PZ -0.00071 -0.00146 0.00363 0.00294 0.00308 76 6PX 0.00077 -0.00132 -0.00473 -0.00339 0.00534 77 6PY -0.00095 0.00031 0.00161 -0.00873 -0.00542 78 6PZ 0.00069 -0.00135 0.00252 -0.00657 0.00389 79 7D 0 -0.00439 -0.00670 0.00013 -0.00534 -0.00492 80 7D+1 0.01116 -0.00054 -0.00398 0.00018 0.00059 81 7D-1 0.00167 0.00395 -0.00135 -0.00168 0.00016 82 7D+2 -0.00580 -0.01183 0.00114 -0.00348 -0.00230 83 7D-2 -0.00063 0.00031 -0.00073 0.00401 0.00368 84 8D 0 -0.00153 -0.00209 0.00034 -0.00239 -0.00261 85 8D+1 0.00374 -0.00028 -0.00206 0.00014 0.00013 86 8D-1 0.00037 0.00140 -0.00079 -0.00117 0.00001 87 8D+2 -0.00188 -0.00408 0.00013 -0.00123 -0.00097 88 8D-2 -0.00013 -0.00024 -0.00051 0.00203 0.00264 89 5 Cu 1S -0.00003 -0.00059 -0.00009 0.00198 0.00059 90 2S -0.00950 -0.00137 -0.00672 0.02033 0.00487 91 3S -0.01229 -0.00232 -0.06010 0.07577 -0.02118 92 4PX 0.00050 -0.00596 -0.00861 0.00208 0.00325 93 4PY 0.00405 -0.00536 -0.00436 0.00116 -0.00049 94 4PZ 0.00065 0.00639 -0.00158 -0.00806 -0.00386 95 5PX 0.00568 0.00311 0.03060 -0.01777 -0.01376 96 5PY 0.00214 0.00087 0.02240 -0.01476 0.00006 97 5PZ 0.00108 0.00108 0.02240 0.01707 0.01548 98 6PX -0.00198 0.00107 0.00060 -0.01176 -0.00817 99 6PY 0.00073 0.00424 0.01126 0.00924 -0.00820 100 6PZ 0.00148 -0.00206 -0.00126 -0.02102 0.01589 101 7D 0 0.00011 0.00049 -0.01352 0.01001 0.00651 102 7D+1 -0.00970 -0.00274 0.00478 0.02172 0.01386 103 7D-1 -0.01255 0.02342 0.00308 0.01731 0.00033 104 7D+2 0.00198 0.01181 0.00702 -0.00107 -0.00371 105 7D-2 0.01250 -0.01162 0.00036 -0.00272 0.00114 106 8D 0 -0.00011 0.00027 -0.00390 0.00340 0.00223 107 8D+1 -0.00358 -0.00102 -0.00122 0.00356 0.00182 108 8D-1 -0.00387 0.00762 -0.00029 0.00337 0.00011 109 8D+2 0.00059 0.00374 0.00306 0.00021 0.00047 110 8D-2 0.00425 -0.00392 -0.00039 -0.00009 -0.00013 111 6 Cu 1S 0.00074 0.00090 0.00012 -0.00036 0.00036 112 2S 0.00142 0.00468 0.02402 -0.03225 -0.00591 113 3S -0.00261 0.01914 0.07291 -0.14347 -0.03985 114 4PX 0.00051 0.00375 0.00884 -0.00618 -0.00139 115 4PY 0.00269 0.00239 0.00229 -0.00377 0.00266 116 4PZ -0.00119 -0.00091 -0.00567 0.01291 0.00402 117 5PX 0.00313 -0.00257 -0.03965 0.04460 0.00503 118 5PY 0.00225 0.00709 0.00427 0.00963 -0.04296 119 5PZ -0.00448 0.00570 0.05054 -0.06917 -0.01884 120 6PX 0.00043 0.00109 0.00920 -0.00137 -0.00201 121 6PY -0.00786 -0.00264 0.00265 -0.00420 -0.01597 122 6PZ 0.00406 0.00237 0.00106 -0.00438 0.01548 123 7D 0 -0.00239 -0.00584 0.01139 0.01182 0.00409 124 7D+1 -0.00764 0.00128 0.00815 -0.00478 -0.01004 125 7D-1 -0.00965 0.00347 0.01109 -0.01533 0.01079 126 7D+2 -0.00386 0.01306 -0.01081 -0.00623 0.00959 127 7D-2 0.00567 -0.00477 -0.01616 0.00548 -0.01048 128 8D 0 -0.00058 -0.00185 0.00158 0.00187 -0.00009 129 8D+1 -0.00232 0.00050 0.00032 -0.00041 -0.00281 130 8D-1 -0.00350 0.00102 0.00317 -0.00303 0.00147 131 8D+2 -0.00090 0.00441 -0.00194 -0.00053 0.00187 132 8D-2 0.00220 -0.00140 -0.00258 0.00201 -0.00185 133 7 Cu 1S -0.00019 0.00003 -0.00066 0.00001 0.00004 134 2S -0.00921 -0.00042 -0.02644 0.00161 0.00456 135 3S -0.01706 0.00417 -0.06843 -0.03903 -0.03504 136 4PX -0.00271 0.00027 -0.00259 0.00016 -0.00052 137 4PY -0.00429 -0.00431 -0.00762 -0.00070 -0.00478 138 4PZ 0.00497 0.00475 0.00251 -0.00079 -0.00516 139 5PX -0.00157 0.00109 0.00877 0.00561 -0.01229 140 5PY 0.00736 0.00003 0.04150 -0.00076 0.00378 141 5PZ 0.00253 0.00047 0.00468 0.00125 0.02238 142 6PX 0.00099 0.00264 -0.01022 -0.00320 -0.00923 143 6PY 0.00255 0.00271 -0.00585 0.00724 -0.00444 144 6PZ -0.00336 -0.00300 0.00293 0.00608 0.00111 145 7D 0 -0.00625 -0.01059 -0.00739 0.00016 -0.01140 146 7D+1 0.00117 0.01710 0.00363 -0.01023 0.00033 147 7D-1 -0.00991 0.01687 -0.01527 0.00528 0.02460 148 7D+2 -0.01192 -0.00762 -0.00378 -0.00462 -0.00908 149 7D-2 0.00584 -0.00148 0.00136 -0.00927 0.00083 150 8D 0 -0.00205 -0.00343 -0.00151 -0.00003 -0.00222 151 8D+1 0.00043 0.00555 0.00165 -0.00294 0.00042 152 8D-1 -0.00353 0.00562 -0.00538 0.00201 0.00393 153 8D+2 -0.00390 -0.00244 -0.00018 -0.00166 -0.00248 154 8D-2 0.00210 -0.00044 0.00024 -0.00339 0.00023 155 8 C 1S -0.00031 0.00306 0.00281 -0.00369 0.00151 156 2S -0.00117 -0.00783 -0.00758 0.00765 -0.00086 157 3S 0.00361 -0.00261 -0.00453 0.02025 -0.02969 158 4PX -0.00916 -0.00556 0.00192 0.00053 0.00114 159 4PY 0.00711 0.00220 -0.00877 0.01273 -0.00133 160 4PZ 0.00288 0.00253 0.00529 -0.00676 -0.00354 161 5PX -0.00036 -0.00044 -0.00076 0.00474 0.00416 162 5PY 0.00071 -0.00061 0.01113 -0.01109 -0.00251 163 5PZ -0.00007 0.00100 0.00324 -0.00194 -0.00346 164 9 O 1S -0.00492 -0.00302 -0.00070 0.00078 -0.00033 165 2S 0.00949 0.00602 0.00126 -0.00075 0.00057 166 3S 0.01320 0.00965 0.00626 -0.01021 0.00435 167 4PX -0.00159 0.00128 0.00078 -0.00311 0.00083 168 4PY -0.02119 -0.01489 0.00648 -0.00872 0.00270 169 4PZ 0.00520 -0.00105 -0.00530 0.01023 0.00131 170 5PX -0.00216 -0.00074 -0.00067 -0.00133 -0.00092 171 5PY -0.00674 -0.00400 0.00126 -0.00436 0.00355 172 5PZ 0.00250 -0.00054 -0.00354 0.00600 0.00049 16 17 18 19 20 16 7D+2 0.74247 17 7D-2 -0.00229 0.75242 18 8D 0 -0.00211 -0.00041 0.08185 19 8D+1 0.00004 -0.00030 0.00091 0.08105 20 8D-1 0.00080 0.00021 0.00000 0.00046 0.08243 21 8D+2 0.24590 -0.00099 -0.00083 0.00013 0.00067 22 8D-2 -0.00092 0.24895 -0.00034 -0.00047 0.00031 23 2 Cu 1S 0.00138 -0.00025 0.00007 0.00086 0.00008 24 2S 0.01540 -0.00518 0.00110 0.00898 -0.00249 25 3S 0.04059 -0.01484 0.01429 0.04443 -0.03043 26 4PX 0.00331 0.00091 -0.00256 0.00064 0.00153 27 4PY 0.00431 0.00095 0.00215 0.00152 0.00107 28 4PZ 0.00027 0.00861 0.00107 -0.00174 0.00142 29 5PX -0.01458 -0.00802 0.01022 0.00839 -0.01021 30 5PY -0.01002 -0.00410 -0.00736 -0.01092 -0.00238 31 5PZ 0.01521 -0.03212 0.00456 0.01457 -0.01143 32 6PX 0.01579 0.01423 -0.00073 0.00679 0.00023 33 6PY 0.00892 0.00863 -0.00363 0.00093 -0.00193 34 6PZ 0.00316 -0.01432 0.00012 0.00289 0.00051 35 7D 0 0.00166 0.01665 0.00178 -0.00476 -0.00001 36 7D+1 0.01381 0.00406 -0.00059 -0.00193 0.00309 37 7D-1 0.01801 0.00457 0.00288 0.00235 -0.00030 38 7D+2 0.00310 -0.00150 -0.00410 0.00296 0.00211 39 7D-2 0.00309 -0.00055 0.00405 -0.00040 -0.00036 40 8D 0 0.00211 0.00200 -0.00080 -0.00157 -0.00062 41 8D+1 0.00247 0.00173 0.00068 -0.00067 0.00025 42 8D-1 0.00421 -0.00008 0.00073 0.00015 -0.00054 43 8D+2 -0.00041 -0.00206 -0.00155 0.00064 -0.00032 44 8D-2 0.00158 -0.00062 0.00043 -0.00015 -0.00068 45 3 Cu 1S 0.00147 -0.00001 -0.00055 0.00016 0.00111 46 2S 0.01327 0.00369 -0.00345 -0.00087 0.00813 47 3S 0.03364 -0.03516 -0.00365 0.00005 0.02920 48 4PX -0.00069 0.00086 -0.00064 -0.00057 -0.00002 49 4PY -0.00057 0.00101 0.00012 -0.00019 -0.00043 50 4PZ 0.00085 0.00141 -0.00036 -0.00007 0.00019 51 5PX -0.00127 -0.00765 0.00204 0.00076 -0.00100 52 5PY -0.00425 0.00862 0.00123 0.00011 -0.00535 53 5PZ 0.00278 -0.01291 0.00079 0.00191 0.00527 54 6PX 0.00041 0.00291 -0.00203 0.00128 -0.00143 55 6PY 0.00154 0.00380 0.00277 -0.00038 -0.00182 56 6PZ 0.00820 0.00509 0.00114 0.00047 0.00049 57 7D 0 0.00620 0.00207 0.00243 0.00023 0.00109 58 7D+1 -0.00279 -0.00418 -0.00138 0.00136 -0.00051 59 7D-1 -0.00173 0.00072 0.00182 -0.00174 -0.00403 60 7D+2 -0.00073 0.00347 0.00312 -0.00060 -0.00139 61 7D-2 0.00015 0.00157 -0.00038 -0.00026 -0.00081 62 8D 0 0.00263 0.00054 0.00091 0.00015 0.00045 63 8D+1 -0.00121 -0.00219 -0.00050 0.00070 -0.00022 64 8D-1 -0.00092 0.00081 0.00081 -0.00075 -0.00201 65 8D+2 -0.00015 0.00155 0.00140 -0.00019 -0.00078 66 8D-2 0.00031 0.00108 -0.00021 -0.00009 -0.00039 67 4 Cu 1S 0.00025 -0.00278 0.00041 0.00059 0.00052 68 2S 0.00279 -0.01686 0.00502 0.00344 0.00312 69 3S 0.01325 -0.05257 0.00700 0.00824 0.02254 70 4PX 0.00037 0.00179 -0.00045 -0.00019 0.00055 71 4PY 0.00016 0.00058 -0.00009 -0.00010 -0.00047 72 4PZ 0.00216 -0.00009 -0.00031 0.00017 0.00039 73 5PX -0.00532 0.00165 0.00221 -0.00071 -0.00568 74 5PY -0.00079 0.00877 -0.00108 -0.00162 -0.00523 75 5PZ -0.00103 -0.00914 0.00118 0.00131 0.00071 76 6PX -0.00732 0.00162 -0.00155 -0.00117 0.00211 77 6PY 0.00799 0.00361 0.00051 -0.00295 -0.00162 78 6PZ 0.00661 -0.00464 0.00076 -0.00217 0.00148 79 7D 0 0.00335 -0.00072 0.00007 -0.00230 -0.00260 80 7D+1 -0.00651 0.00368 -0.00190 0.00030 0.00041 81 7D-1 0.00016 0.00167 -0.00082 -0.00143 0.00027 82 7D+2 0.00640 0.00072 0.00004 -0.00150 -0.00098 83 7D-2 0.00168 -0.00504 -0.00040 0.00217 0.00263 84 8D 0 0.00145 0.00002 0.00011 -0.00099 -0.00122 85 8D+1 -0.00237 0.00185 -0.00087 0.00013 0.00012 86 8D-1 0.00010 0.00118 -0.00039 -0.00069 0.00005 87 8D+2 0.00296 0.00096 -0.00008 -0.00053 -0.00039 88 8D-2 0.00076 -0.00290 -0.00021 0.00094 0.00137 89 5 Cu 1S 0.00134 -0.00016 -0.00020 0.00068 0.00028 90 2S 0.02029 0.01086 -0.00180 0.00737 0.00020 91 3S 0.09068 0.10974 -0.02015 0.02526 -0.00661 92 4PX 0.00332 0.01395 -0.00123 0.00055 0.00075 93 4PY 0.01174 0.00262 -0.00047 0.00030 -0.00055 94 4PZ 0.00200 0.00123 -0.00070 -0.00295 -0.00140 95 5PX -0.02852 -0.05846 0.01025 -0.00606 -0.00446 96 5PY -0.03668 -0.00302 0.00760 -0.00501 0.00011 97 5PZ -0.00590 -0.01312 0.00748 0.00560 0.00512 98 6PX -0.01033 -0.00532 0.00016 -0.00407 -0.00328 99 6PY -0.00244 0.00106 0.00356 0.00285 -0.00278 100 6PZ -0.01233 0.00476 -0.00030 -0.00691 0.00511 101 7D 0 -0.00329 0.00516 -0.00365 0.00390 0.00264 102 7D+1 -0.00273 -0.00788 -0.00048 0.00353 0.00134 103 7D-1 -0.00619 -0.00176 -0.00029 0.00304 -0.00019 104 7D+2 0.01458 -0.02115 0.00333 -0.00019 -0.00015 105 7D-2 -0.02656 -0.00444 -0.00076 -0.00042 -0.00033 106 8D 0 -0.00217 0.00211 -0.00101 0.00133 0.00089 107 8D+1 0.00021 -0.00181 -0.00109 -0.00004 -0.00052 108 8D-1 -0.00146 -0.00095 -0.00055 0.00021 -0.00001 109 8D+2 0.00131 -0.00231 0.00135 0.00012 0.00052 110 8D-2 -0.00621 -0.00258 -0.00042 0.00012 -0.00027 111 6 Cu 1S 0.00015 -0.00020 -0.00001 -0.00009 0.00024 112 2S 0.01281 0.00426 0.00784 -0.01060 -0.00213 113 3S 0.00658 0.02283 0.02408 -0.04839 -0.01352 114 4PX 0.00041 0.00273 0.00282 -0.00117 -0.00016 115 4PY 0.00032 -0.00176 0.00053 -0.00092 0.00162 116 4PZ -0.00513 -0.00153 -0.00091 0.00335 0.00092 117 5PX -0.01820 -0.02459 -0.01292 0.01482 0.00196 118 5PY 0.00959 0.02794 0.00135 0.00294 -0.01405 119 5PZ 0.03299 0.00168 0.01687 -0.02279 -0.00707 120 6PX 0.00369 0.00968 0.00302 -0.00047 -0.00061 121 6PY 0.00275 0.00983 0.00094 -0.00154 -0.00563 122 6PZ -0.00718 -0.00368 0.00034 -0.00141 0.00534 123 7D 0 -0.00946 -0.01161 0.00131 0.00298 -0.00013 124 7D+1 -0.01091 0.00174 0.00133 -0.00168 -0.00148 125 7D-1 0.01690 -0.00988 0.00378 -0.00380 0.00144 126 7D+2 -0.00191 -0.00123 -0.00276 -0.00065 0.00223 127 7D-2 -0.00689 0.00136 -0.00369 0.00210 -0.00159 128 8D 0 -0.00084 -0.00319 -0.00027 0.00030 -0.00049 129 8D+1 -0.00267 0.00006 -0.00035 -0.00016 -0.00032 130 8D-1 0.00357 -0.00155 0.00110 -0.00060 -0.00021 131 8D+2 -0.00078 0.00062 -0.00037 0.00027 0.00036 132 8D-2 -0.00237 0.00015 -0.00033 0.00077 0.00003 133 7 Cu 1S -0.00123 -0.00021 -0.00022 -0.00005 -0.00007 134 2S -0.04327 -0.00755 -0.00874 0.00053 0.00059 135 3S -0.15489 0.00476 -0.02261 -0.01422 -0.01264 136 4PX -0.00143 -0.00610 -0.00072 0.00010 -0.00015 137 4PY -0.01400 0.00145 -0.00146 -0.00019 -0.00100 138 4PZ 0.00508 -0.00026 0.00042 -0.00037 -0.00233 139 5PX -0.00703 0.01056 0.00316 0.00176 -0.00425 140 5PY 0.06952 0.00456 0.01391 -0.00022 0.00181 141 5PZ -0.00574 -0.01303 0.00159 0.00075 0.00754 142 6PX -0.01035 -0.00679 -0.00333 -0.00117 -0.00324 143 6PY -0.00445 0.00319 -0.00197 0.00243 -0.00187 144 6PZ 0.01929 -0.00675 0.00105 0.00223 0.00038 145 7D 0 -0.00654 -0.00060 -0.00226 0.00045 -0.00055 146 7D+1 0.00075 -0.00500 0.00180 -0.00336 -0.00005 147 7D-1 -0.01018 0.00086 -0.00433 0.00180 0.00429 148 7D+2 -0.01689 0.00580 -0.00101 -0.00105 -0.00083 149 7D-2 0.00720 0.02779 -0.00006 -0.00300 0.00005 150 8D 0 -0.00162 0.00067 -0.00042 0.00013 0.00031 151 8D+1 0.00081 -0.00071 0.00076 -0.00097 0.00013 152 8D-1 -0.00313 0.00029 -0.00156 0.00067 0.00003 153 8D+2 -0.00332 0.00113 0.00001 -0.00039 -0.00012 154 8D-2 0.00319 0.00487 -0.00009 -0.00110 -0.00001 155 8 C 1S 0.00237 -0.00095 0.00090 -0.00110 0.00030 156 2S -0.00684 0.00048 -0.00247 0.00255 -0.00023 157 3S -0.00011 0.02118 -0.00165 0.00668 -0.00938 158 4PX 0.00323 -0.00489 0.00101 0.00025 0.00037 159 4PY -0.00557 -0.00111 -0.00315 0.00421 0.00004 160 4PZ 0.00101 -0.00162 0.00181 -0.00196 -0.00139 161 5PX -0.00335 -0.00365 -0.00016 0.00161 0.00137 162 5PY 0.00582 0.00244 0.00372 -0.00369 -0.00069 163 5PZ -0.00198 -0.00029 0.00109 -0.00061 -0.00118 164 9 O 1S -0.00066 0.00004 -0.00029 0.00022 0.00008 165 2S 0.00147 0.00008 0.00056 -0.00022 -0.00019 166 3S 0.00451 -0.00192 0.00207 -0.00338 0.00116 167 4PX -0.00283 0.00346 0.00001 -0.00108 0.00053 168 4PY 0.00343 0.00058 0.00240 -0.00290 0.00063 169 4PZ -0.00315 0.00409 -0.00176 0.00363 0.00075 170 5PX -0.00048 0.00306 -0.00032 -0.00047 -0.00025 171 5PY -0.00032 -0.00159 0.00042 -0.00145 0.00111 172 5PZ -0.00039 0.00321 -0.00121 0.00206 0.00033 21 22 23 24 25 21 8D+2 0.08152 22 8D-2 -0.00042 0.08252 23 2 Cu 1S 0.00047 -0.00025 1.00535 24 2S 0.00537 -0.00054 0.00768 0.17789 25 3S 0.01364 -0.00548 0.00683 0.08833 0.20570 26 4PX 0.00125 -0.00025 -0.00308 -0.01860 0.03753 27 4PY 0.00152 0.00125 -0.00068 -0.00509 0.00913 28 4PZ 0.00002 0.00190 -0.00100 -0.00679 0.01236 29 5PX -0.00480 -0.00269 0.00253 0.02577 0.05858 30 5PY -0.00322 -0.00138 0.00065 0.01031 0.01832 31 5PZ 0.00517 -0.01067 0.00081 0.01222 0.02430 32 6PX 0.00530 0.00441 0.00130 -0.01000 0.01523 33 6PY 0.00281 0.00273 0.00015 -0.00959 0.00305 34 6PZ 0.00130 -0.00496 0.00040 -0.00931 0.00607 35 7D 0 0.00157 0.00193 0.00017 -0.00077 0.00576 36 7D+1 0.00209 0.00238 -0.00012 -0.00314 -0.03691 37 7D-1 0.00446 0.00030 0.00002 0.00793 0.08090 38 7D+2 -0.00021 -0.00157 -0.00044 -0.00092 -0.03329 39 7D-2 0.00200 -0.00074 -0.00003 -0.00449 -0.04061 40 8D 0 0.00104 -0.00056 -0.00003 -0.00083 0.00137 41 8D+1 -0.00002 0.00093 -0.00001 0.00106 -0.01067 42 8D-1 0.00090 -0.00045 0.00017 0.00137 0.02620 43 8D+2 -0.00055 -0.00103 -0.00003 0.00129 -0.00978 44 8D-2 0.00086 -0.00035 -0.00003 0.00064 -0.01192 45 3 Cu 1S 0.00050 -0.00002 -0.00124 -0.00324 -0.00032 46 2S 0.00509 0.00074 -0.00332 0.07909 0.00958 47 3S 0.01230 -0.01151 -0.00038 0.00954 -0.05518 48 4PX -0.00019 0.00057 0.00068 0.01060 0.00981 49 4PY -0.00013 0.00035 0.00152 0.01259 0.00759 50 4PZ 0.00011 0.00052 -0.00082 -0.00632 -0.00188 51 5PX -0.00053 -0.00298 0.00066 -0.02670 0.00019 52 5PY -0.00191 0.00293 0.00066 -0.01923 0.00396 53 5PZ 0.00105 -0.00417 -0.00034 0.00558 -0.00829 54 6PX 0.00010 0.00121 0.00075 0.00643 0.01305 55 6PY 0.00053 0.00116 0.00035 0.00911 0.01695 56 6PZ 0.00274 0.00188 0.00013 -0.00667 -0.00806 57 7D 0 0.00243 0.00077 -0.00102 -0.01565 -0.05192 58 7D+1 -0.00103 -0.00227 0.00004 -0.00364 -0.02714 59 7D-1 -0.00101 0.00068 0.00072 -0.00292 -0.08042 60 7D+2 -0.00059 0.00153 0.00140 0.01034 0.02254 61 7D-2 0.00021 0.00131 0.00182 0.02492 0.13419 62 8D 0 0.00099 0.00021 -0.00043 -0.00488 -0.01769 63 8D+1 -0.00043 -0.00105 -0.00015 -0.00019 -0.00954 64 8D-1 -0.00047 0.00043 0.00014 -0.00190 -0.02667 65 8D+2 -0.00017 0.00067 0.00042 0.00395 0.00750 66 8D-2 0.00016 0.00061 0.00084 0.00840 0.04474 67 4 Cu 1S 0.00009 -0.00098 0.00034 -0.00150 -0.00148 68 2S 0.00111 -0.00739 -0.00150 -0.05673 -0.01746 69 3S 0.00487 -0.01947 -0.00147 -0.01718 0.02540 70 4PX 0.00041 0.00050 -0.00093 0.00518 -0.00544 71 4PY -0.00007 0.00033 -0.00062 -0.00294 0.00066 72 4PZ 0.00058 0.00011 0.00041 0.00643 -0.00436 73 5PX -0.00188 0.00121 0.00074 -0.01030 0.00166 74 5PY -0.00032 0.00307 0.00060 0.00779 0.00305 75 5PZ -0.00008 -0.00336 0.00017 -0.01460 -0.00223 76 6PX -0.00242 0.00038 -0.00058 -0.01228 -0.01753 77 6PY 0.00267 0.00110 -0.00039 -0.00623 -0.01525 78 6PZ 0.00229 -0.00158 0.00036 0.00843 0.00392 79 7D 0 0.00114 -0.00004 0.00171 0.00908 0.03376 80 7D+1 -0.00250 0.00173 -0.00085 -0.00455 -0.00379 81 7D-1 0.00014 0.00131 -0.00071 -0.00676 0.02385 82 7D+2 0.00289 0.00059 -0.00190 -0.01684 -0.04500 83 7D-2 0.00073 -0.00299 -0.00249 -0.01223 -0.07271 84 8D 0 0.00053 0.00006 0.00063 0.00396 0.01270 85 8D+1 -0.00091 0.00081 -0.00030 -0.00211 -0.00163 86 8D-1 0.00006 0.00065 -0.00027 -0.00186 0.00754 87 8D+2 0.00125 0.00042 -0.00061 -0.00677 -0.01632 88 8D-2 0.00033 -0.00144 -0.00091 -0.00572 -0.02573 89 5 Cu 1S 0.00061 0.00017 0.00039 -0.00140 -0.00084 90 2S 0.00656 0.00398 -0.00144 -0.05597 -0.01669 91 3S 0.03045 0.03672 -0.00084 -0.01477 0.02449 92 4PX -0.00047 0.00250 -0.00076 0.00626 -0.00668 93 4PY 0.00323 -0.00081 0.00039 0.00544 -0.00503 94 4PZ 0.00079 0.00045 -0.00082 -0.00300 -0.00232 95 5PX -0.00968 -0.01979 0.00060 -0.01287 0.00079 96 5PY -0.01215 -0.00114 0.00011 -0.01230 -0.00271 97 5PZ -0.00196 -0.00433 0.00042 0.00765 0.00484 98 6PX -0.00364 -0.00138 -0.00034 -0.00974 -0.01438 99 6PY -0.00083 0.00070 0.00049 0.00548 0.00339 100 6PZ -0.00416 0.00148 -0.00070 -0.00981 -0.01817 101 7D 0 -0.00187 0.00160 0.00037 0.00776 -0.00107 102 7D+1 -0.00016 -0.00250 -0.00289 -0.01638 -0.07786 103 7D-1 -0.00165 -0.00075 -0.00055 -0.00566 0.02206 104 7D+2 0.00072 -0.00239 -0.00227 -0.01479 -0.03947 105 7D-2 -0.00640 -0.00189 -0.00045 -0.00139 -0.00361 106 8D 0 -0.00099 0.00066 0.00008 0.00290 -0.00018 107 8D+1 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0.02087 0.08937 127 7D-2 -0.00271 -0.00033 0.00107 0.00188 0.00135 128 8D 0 0.00009 -0.00079 0.00002 -0.00356 -0.02068 129 8D+1 -0.00057 -0.00040 0.00056 0.00326 0.00992 130 8D-1 0.00081 0.00004 0.00004 0.00489 0.01136 131 8D+2 -0.00054 0.00037 0.00017 0.00516 0.02900 132 8D-2 -0.00092 -0.00019 0.00056 0.00121 0.00056 133 7 Cu 1S -0.00048 -0.00003 -0.00115 -0.00431 -0.00226 134 2S -0.01451 -0.00193 -0.00400 0.04959 0.00280 135 3S -0.05240 0.00211 -0.00260 -0.03387 -0.05837 136 4PX 0.00002 -0.00254 0.00073 0.01339 0.00624 137 4PY -0.00269 0.00026 0.00127 0.01199 0.01014 138 4PZ 0.00096 -0.00012 0.00127 0.01268 0.01022 139 5PX -0.00252 0.00346 0.00070 -0.02415 -0.00763 140 5PY 0.02340 0.00118 0.00168 -0.01119 0.00670 141 5PZ -0.00186 -0.00446 0.00159 -0.01349 0.00660 142 6PX -0.00359 -0.00237 0.00014 -0.01362 0.00722 143 6PY -0.00163 0.00132 -0.00033 0.00707 0.00750 144 6PZ 0.00662 -0.00240 -0.00017 0.00921 0.00902 145 7D 0 -0.00214 0.00024 -0.00117 -0.01317 -0.02174 146 7D+1 0.00080 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0.00131 0.00088 81 7D-1 0.00208 0.00041 -0.00321 -0.00154 -0.00022 82 7D+2 -0.00232 -0.00446 0.00407 -0.00420 0.00137 83 7D-2 0.00101 0.00004 -0.00952 -0.00178 0.00164 84 8D 0 0.00162 0.00044 0.00046 0.00201 -0.00095 85 8D+1 0.00176 0.00152 -0.00138 0.00012 0.00047 86 8D-1 0.00115 0.00065 -0.00116 -0.00111 -0.00005 87 8D+2 -0.00053 -0.00196 0.00147 -0.00202 0.00063 88 8D-2 -0.00011 0.00033 -0.00515 -0.00123 0.00082 89 5 Cu 1S -0.00312 -0.00018 -0.00194 0.00015 0.00000 90 2S -0.02140 -0.00355 -0.00863 0.00328 -0.00104 91 3S -0.06498 0.00111 -0.04408 -0.02861 0.00585 92 4PX 0.00104 0.00136 0.00121 0.00061 -0.00009 93 4PY -0.00041 0.00032 0.00048 0.00109 -0.00048 94 4PZ 0.00152 -0.00094 0.00043 -0.00137 0.00031 95 5PX 0.01143 -0.00206 0.01215 0.00626 -0.00142 96 5PY 0.00702 -0.00169 -0.00068 -0.00568 0.00102 97 5PZ 0.00397 -0.00017 0.00660 0.01068 -0.00346 98 6PX 0.00652 0.00314 0.00166 0.00459 0.00166 99 6PY -0.00075 -0.01001 0.00738 -0.00106 -0.00285 100 6PZ 0.00011 0.00083 0.00671 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0.00131 -0.00055 -0.00086 0.00057 -0.00015 90 2S 0.00915 -0.00514 -0.00668 0.00338 -0.00232 91 3S 0.00727 -0.01638 -0.01451 0.02241 -0.00186 92 4PX -0.00044 -0.00015 0.00067 0.00053 0.00047 93 4PY -0.00002 -0.00032 0.00020 0.00032 0.00050 94 4PZ -0.00113 0.00017 0.00029 -0.00042 0.00004 95 5PX 0.00262 0.00121 -0.00067 -0.00507 -0.00247 96 5PY 0.00292 -0.00098 -0.00305 0.00110 0.00011 97 5PZ -0.00090 0.00285 0.00234 -0.00570 0.00030 98 6PX -0.00331 0.00237 -0.00018 0.00276 -0.00070 99 6PY -0.00800 -0.00348 -0.00043 -0.00054 -0.00074 100 6PZ -0.00826 -0.00149 0.00176 -0.00236 0.00010 101 7D 0 0.00637 0.00183 -0.00167 0.00322 -0.00068 102 7D+1 0.00170 -0.00179 -0.00200 0.00256 0.00151 103 7D-1 -0.00120 0.00122 0.00174 0.00009 0.00000 104 7D+2 0.00256 0.00034 0.00088 0.00172 0.00020 105 7D-2 0.00007 0.00316 0.00067 0.00048 0.00027 106 8D 0 0.00265 0.00073 -0.00090 0.00146 -0.00034 107 8D+1 0.00085 -0.00080 -0.00094 0.00136 0.00071 108 8D-1 -0.00115 0.00050 0.00086 -0.00007 -0.00004 109 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0.00297 0.00000 -0.00110 0.00625 146 7D+1 -0.00271 0.00300 0.00018 0.00797 -0.03537 147 7D-1 -0.00317 -0.00118 -0.00027 -0.01252 0.05561 148 7D+2 0.00155 -0.00047 0.00008 0.00407 -0.01842 149 7D-2 -0.00047 0.00080 0.00020 0.00867 -0.03846 150 8D 0 0.00043 0.00089 0.00005 -0.00035 0.00221 151 8D+1 -0.00064 0.00135 -0.00011 0.00220 -0.01281 152 8D-1 -0.00130 -0.00104 0.00017 -0.00344 0.02015 153 8D+2 0.00033 0.00008 -0.00005 0.00110 -0.00668 154 8D-2 0.00008 0.00045 -0.00010 0.00234 -0.01394 155 8 C 1S 0.00121 0.00250 -0.00060 0.00649 -0.00226 156 2S -0.00300 -0.00623 0.00169 -0.01262 0.01056 157 3S 0.00448 0.00934 0.00090 -0.03345 0.00448 158 4PX 0.01551 -0.00932 -0.00063 0.00958 -0.01290 159 4PY 0.01118 -0.00231 0.00102 -0.01568 0.02113 160 4PZ -0.00595 -0.01215 0.00026 -0.00126 0.00132 161 5PX 0.00718 -0.00505 -0.00011 0.00732 0.00245 162 5PY 0.00587 -0.00027 0.00018 -0.01182 -0.00393 163 5PZ -0.00187 -0.00383 0.00006 -0.00411 -0.00219 164 9 O 1S 0.00115 0.00242 -0.00003 -0.00111 -0.00080 165 2S -0.00235 -0.00499 -0.00017 0.00389 0.00054 166 3S -0.00298 -0.00640 -0.00003 -0.00085 0.00526 167 4PX -0.01594 0.01422 0.00004 -0.00586 0.01092 168 4PY -0.01552 -0.00340 -0.00010 0.00973 -0.01812 169 4PZ 0.00783 0.01600 0.00054 -0.00255 0.00178 170 5PX -0.01087 0.00843 0.00005 -0.00263 0.00167 171 5PY -0.00948 -0.00072 -0.00010 0.00428 -0.00283 172 5PZ 0.00455 0.00933 0.00014 0.00017 0.00143 136 137 138 139 140 136 4PX 0.99806 137 4PY 0.00061 0.99747 138 4PZ 0.00056 -0.00088 0.99766 139 5PX 0.01764 -0.00512 -0.00477 0.02763 140 5PY -0.00512 0.02254 0.00755 -0.00207 0.02961 141 5PZ -0.00447 0.00706 0.02100 -0.00186 0.00295 142 6PX -0.01856 -0.00957 -0.00834 0.00408 0.00065 143 6PY -0.00956 -0.00947 0.01320 0.00065 0.00346 144 6PZ -0.00815 0.01292 -0.01325 0.00112 -0.00169 145 7D 0 -0.00059 0.00095 -0.00122 0.01570 -0.02491 146 7D+1 -0.00033 -0.00125 -0.00020 0.02106 0.01949 147 7D-1 -0.00125 0.00085 0.00030 0.01948 0.00255 148 7D+2 0.00127 0.00070 -0.00055 -0.03168 -0.02949 149 7D-2 -0.00048 -0.00054 -0.00117 0.02607 -0.00325 150 8D 0 -0.00022 0.00037 -0.00062 0.00508 -0.00805 151 8D+1 -0.00053 0.00005 0.00047 0.00645 0.00675 152 8D-1 0.00005 -0.00058 -0.00075 0.00675 0.00004 153 8D+2 0.00037 0.00065 0.00005 -0.01038 -0.00925 154 8D-2 -0.00066 0.00044 0.00010 0.00807 -0.00050 155 8 C 1S -0.00039 0.00063 0.00046 -0.00021 0.00031 156 2S 0.00114 -0.00181 -0.00148 0.00157 -0.00242 157 3S -0.00056 0.00086 0.00088 -0.00042 0.00065 158 4PX -0.00295 -0.00056 0.00048 0.00350 0.00508 159 4PY -0.00050 -0.00243 -0.00082 0.00504 -0.00155 160 4PZ -0.00096 0.00155 -0.00249 0.00216 -0.00347 161 5PX -0.00100 -0.00059 -0.00044 0.00424 -0.00012 162 5PY -0.00060 -0.00043 0.00071 -0.00017 0.00437 163 5PZ -0.00017 0.00027 -0.00124 0.00017 -0.00031 164 9 O 1S 0.00005 -0.00007 -0.00012 -0.00035 0.00056 165 2S -0.00019 0.00030 0.00038 0.00073 -0.00116 166 3S 0.00010 -0.00019 0.00040 0.00044 -0.00068 167 4PX 0.00273 0.00113 -0.00026 -0.00493 -0.00498 168 4PY 0.00106 0.00165 0.00048 -0.00485 0.00002 169 4PZ 0.00128 -0.00206 0.00248 -0.00285 0.00464 170 5PX 0.00142 0.00093 -0.00008 -0.00405 -0.00237 171 5PY 0.00090 0.00050 0.00014 -0.00229 -0.00171 172 5PZ 0.00062 -0.00101 0.00174 -0.00147 0.00240 141 142 143 144 145 141 5PZ 0.02914 142 6PX 0.00047 0.01576 143 6PY -0.00066 0.00339 0.01249 144 6PZ 0.00146 0.00257 -0.00418 0.01716 145 7D 0 0.03695 0.02343 -0.03681 0.05899 0.75383 146 7D+1 -0.00814 0.03409 0.03009 -0.01289 -0.00182 147 7D-1 0.01302 0.03011 0.00547 0.02055 0.00284 148 7D+2 0.00911 -0.04996 -0.04566 0.01445 0.00250 149 7D-2 0.01921 0.04015 -0.00440 0.03049 0.00527 150 8D 0 0.01182 0.00764 -0.01200 0.01920 0.24260 151 8D+1 -0.00219 0.01109 0.00981 -0.00421 -0.00054 152 8D-1 0.00352 0.00982 0.00176 0.00671 0.00090 153 8D+2 0.00317 -0.01631 -0.01491 0.00472 0.00069 154 8D-2 0.00669 0.01311 -0.00145 0.00996 0.00144 155 8 C 1S 0.00106 -0.00168 0.00285 -0.00175 0.00013 156 2S -0.00447 0.00427 -0.00733 0.00644 -0.00010 157 3S 0.00060 0.00356 -0.00563 -0.00565 -0.00364 158 4PX 0.00133 -0.01065 -0.00495 0.01185 0.00056 159 4PY -0.00210 -0.00421 -0.00543 -0.01983 -0.00084 160 4PZ 0.00480 -0.00404 0.00633 -0.00700 0.00436 161 5PX -0.00070 -0.00209 0.00021 -0.00007 -0.00072 162 5PY 0.00113 0.00020 -0.00233 0.00009 0.00122 163 5PZ 0.00464 -0.00030 0.00045 -0.00147 -0.00120 164 9 O 1S 0.00020 0.00172 -0.00322 0.00880 0.00009 165 2S -0.00055 -0.00370 0.00685 -0.01702 -0.00054 166 3S -0.00007 -0.00388 0.00753 -0.02552 0.00090 167 4PX 0.00057 -0.02666 -0.01171 -0.02055 -0.00021 168 4PY -0.00096 -0.01225 -0.01569 0.03263 0.00031 169 4PZ -0.00704 -0.00913 0.01380 -0.00886 -0.00406 170 5PX 0.00011 -0.01083 -0.00530 -0.00530 -0.00032 171 5PY -0.00019 -0.00536 -0.00575 0.00824 0.00045 172 5PZ -0.00499 -0.00397 0.00605 -0.00394 -0.00182 146 147 148 149 150 146 7D+1 0.74777 147 7D-1 0.00175 0.74618 148 7D+2 -0.00579 -0.00279 0.75168 149 7D-2 0.00176 0.00290 -0.00224 0.74800 150 8D 0 -0.00052 0.00085 0.00069 0.00143 0.07814 151 8D+1 0.24107 0.00044 -0.00153 0.00031 -0.00015 152 8D-1 0.00044 0.24064 -0.00063 0.00094 0.00026 153 8D+2 -0.00156 -0.00066 0.24243 -0.00069 0.00018 154 8D-2 0.00035 0.00092 -0.00070 0.24132 0.00037 155 8 C 1S -0.00124 0.00195 -0.00066 -0.00140 -0.00004 156 2S 0.00442 -0.00700 0.00240 0.00509 0.00018 157 3S -0.00741 0.01204 -0.00502 -0.01049 -0.00114 158 4PX 0.00014 0.00554 -0.00508 -0.00066 0.00024 159 4PY 0.00559 -0.00529 -0.00043 0.00526 -0.00037 160 4PZ -0.00049 0.00075 0.00134 0.00279 0.00168 161 5PX 0.00033 -0.00265 0.00076 0.00138 -0.00025 162 5PY -0.00274 0.00283 -0.00106 -0.00240 0.00043 163 5PZ -0.00075 0.00133 -0.00005 -0.00035 -0.00036 164 9 O 1S 0.00013 -0.00020 0.00010 0.00022 0.00007 165 2S -0.00064 0.00105 -0.00052 -0.00108 -0.00025 166 3S 0.00141 -0.00238 0.00090 0.00188 0.00017 167 4PX -0.00114 -0.00309 0.00381 -0.00046 -0.00022 168 4PY -0.00311 0.00190 0.00111 -0.00285 0.00033 169 4PZ 0.00153 -0.00233 -0.00057 -0.00121 -0.00151 170 5PX -0.00117 -0.00036 0.00138 -0.00099 -0.00014 171 5PY -0.00034 -0.00083 0.00118 0.00008 0.00020 172 5PZ 0.00020 -0.00034 -0.00066 -0.00129 -0.00072 151 152 153 154 155 151 8D+1 0.07781 152 8D-1 0.00008 0.07772 153 8D+2 -0.00038 -0.00013 0.07827 154 8D-2 0.00004 0.00027 -0.00020 0.07795 155 8 C 1S -0.00052 0.00082 -0.00031 -0.00065 1.04630 156 2S 0.00150 -0.00237 0.00087 0.00184 -0.09692 157 3S -0.00244 0.00396 -0.00164 -0.00342 -0.09836 158 4PX 0.00023 0.00174 -0.00192 0.00011 0.01221 159 4PY 0.00175 -0.00148 -0.00048 0.00157 -0.01978 160 4PZ -0.00032 0.00050 0.00053 0.00109 -0.00669 161 5PX 0.00011 -0.00084 0.00017 0.00046 0.01211 162 5PY -0.00087 0.00089 -0.00037 -0.00073 -0.01975 163 5PZ -0.00021 0.00039 0.00004 0.00001 -0.00467 164 9 O 1S 0.00002 -0.00004 0.00001 0.00003 0.00616 165 2S -0.00017 0.00030 -0.00012 -0.00027 -0.01023 166 3S 0.00041 -0.00069 0.00026 0.00055 0.00908 167 4PX -0.00064 -0.00101 0.00119 -0.00029 0.02895 168 4PY -0.00101 0.00036 0.00049 -0.00070 -0.04752 169 4PZ 0.00040 -0.00060 -0.00021 -0.00045 -0.00381 170 5PX -0.00048 -0.00017 0.00049 -0.00035 0.00444 171 5PY -0.00016 -0.00032 0.00043 0.00003 -0.00739 172 5PZ 0.00001 -0.00002 -0.00026 -0.00052 0.00165 156 157 158 159 160 156 2S 0.24873 157 3S 0.19093 0.21443 158 4PX -0.01626 -0.07688 0.21358 159 4PY 0.02624 0.12520 -0.07151 0.28611 160 4PZ 0.01117 0.02926 -0.01712 0.02784 0.17693 161 5PX -0.02368 -0.01929 0.02039 0.01347 0.00121 162 5PY 0.03882 0.03149 0.01348 0.00650 -0.00205 163 5PZ 0.00520 0.00641 0.00118 -0.00200 0.02937 164 9 O 1S -0.00595 0.01879 -0.01848 0.03019 0.00518 165 2S 0.00630 -0.04314 0.04529 -0.07401 -0.01252 166 3S -0.04657 -0.04704 -0.00539 0.00887 0.00040 167 4PX -0.07487 0.00083 0.09621 0.23053 0.03622 168 4PY 0.12288 -0.00140 0.23050 -0.13968 -0.05918 169 4PZ 0.01016 -0.00025 0.03692 -0.06033 0.22717 170 5PX -0.01130 0.00064 0.05296 0.05786 0.00898 171 5PY 0.01873 -0.00094 0.05771 -0.00602 -0.01463 172 5PZ -0.00226 -0.00267 0.01189 -0.01942 0.08512 161 162 163 164 165 161 5PX 0.00824 162 5PY -0.00268 0.01098 163 5PZ -0.00053 0.00084 0.00710 164 9 O 1S 0.00200 -0.00333 0.00097 1.05922 165 2S -0.00124 0.00213 -0.00237 -0.12928 0.30133 166 3S 0.00459 -0.00742 -0.00350 -0.12418 0.26155 167 4PX 0.03212 -0.00126 0.00034 -0.01012 0.01800 168 4PY -0.00113 0.03332 -0.00068 0.01659 -0.02960 169 4PZ -0.00188 0.00298 0.03355 0.00167 -0.00131 170 5PX 0.00885 0.00250 0.00038 -0.00909 0.02184 171 5PY 0.00254 0.00624 -0.00067 0.01491 -0.03582 172 5PZ -0.00025 0.00038 0.01120 0.00160 -0.00335 166 167 168 169 170 166 3S 0.26834 167 4PX 0.08134 0.41835 168 4PY -0.13308 -0.00347 0.42156 169 4PZ -0.01902 -0.00346 0.00565 0.41707 170 5PX 0.03036 0.14249 0.03677 0.00567 0.05410 171 5PY -0.04965 0.03693 0.10460 -0.00932 0.02022 172 5PZ -0.00726 0.00270 -0.00442 0.16431 0.00285 171 172 171 5PY 0.03337 172 5PZ -0.00467 0.06599 Full Mulliken population analysis: 1 2 3 4 5 1 1 Cu 1S 2.01074 2 2S -0.00366 0.35068 3 3S 0.00253 0.12308 0.41119 4 4PX 0.00000 0.00000 0.00000 1.99410 5 4PY 0.00000 0.00000 0.00000 0.00000 1.99332 6 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 7 5PX 0.00000 0.00000 0.00000 0.00417 0.00000 8 5PY 0.00000 0.00000 0.00000 0.00000 0.00507 9 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 6PX 0.00000 0.00000 0.00000 -0.00108 0.00000 11 6PY 0.00000 0.00000 0.00000 0.00000 -0.00029 12 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 14 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 15 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 16 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 17 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 18 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 19 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 2 Cu 1S 0.00000 -0.00030 -0.00001 0.00000 0.00000 24 2S -0.00032 0.04197 0.00646 -0.00023 -0.00014 25 3S -0.00002 0.00646 -0.08035 -0.00016 -0.00003 26 4PX 0.00000 -0.00024 -0.00002 0.00000 0.00000 27 4PY 0.00000 -0.00019 -0.00011 0.00000 0.00000 28 4PZ 0.00000 -0.00068 -0.00037 0.00000 0.00000 29 5PX -0.00003 0.00277 -0.00321 -0.00001 0.00001 30 5PY -0.00005 0.00689 0.00067 0.00007 -0.00001 31 5PZ -0.00018 0.01872 -0.00459 0.00002 -0.00020 32 6PX 0.00002 -0.00263 -0.00682 0.00017 0.00000 33 6PY -0.00006 -0.00031 -0.00441 0.00005 0.00009 34 6PZ -0.00013 -0.00783 -0.01767 0.00010 0.00001 35 7D 0 0.00000 0.00017 0.00019 0.00000 0.00000 36 7D+1 0.00000 0.00009 0.00037 0.00000 0.00000 37 7D-1 0.00000 0.00036 0.00045 0.00000 0.00000 38 7D+2 0.00000 -0.00001 0.00000 0.00000 0.00000 39 7D-2 0.00000 0.00002 0.00002 0.00000 0.00000 40 8D 0 0.00001 0.00058 0.00096 -0.00006 -0.00005 41 8D+1 0.00000 0.00037 0.00178 0.00001 -0.00004 42 8D-1 0.00003 0.00142 0.00219 -0.00004 0.00001 43 8D+2 0.00000 -0.00004 0.00001 -0.00001 -0.00001 44 8D-2 0.00000 -0.00003 0.00010 0.00001 0.00000 45 3 Cu 1S 0.00000 0.00000 -0.00005 0.00000 0.00000 46 2S 0.00000 -0.00470 -0.00389 0.00000 0.00000 47 3S -0.00005 -0.00414 0.01738 -0.00001 0.00002 48 4PX 0.00000 0.00000 0.00001 0.00000 0.00000 49 4PY 0.00000 -0.00001 0.00007 0.00000 0.00000 50 4PZ 0.00000 0.00000 0.00003 0.00000 0.00000 51 5PX 0.00000 0.00040 0.00008 -0.00001 0.00000 52 5PY -0.00001 0.00209 -0.00043 0.00000 0.00001 53 5PZ -0.00001 -0.00016 -0.00130 0.00000 -0.00001 54 6PX -0.00001 -0.00011 -0.00049 0.00007 0.00000 55 6PY 0.00003 0.00117 0.00955 -0.00001 0.00000 56 6PZ 0.00008 0.00915 0.01644 0.00000 0.00001 57 7D 0 0.00000 0.00000 -0.00005 0.00000 0.00000 58 7D+1 0.00000 0.00000 0.00001 0.00000 0.00000 59 7D-1 0.00000 -0.00002 -0.00028 0.00000 0.00000 60 7D+2 0.00000 -0.00001 -0.00003 0.00000 0.00000 61 7D-2 0.00000 0.00000 -0.00001 0.00000 0.00000 62 8D 0 0.00000 -0.00004 -0.00031 0.00000 0.00000 63 8D+1 0.00000 -0.00001 0.00003 0.00000 0.00000 64 8D-1 0.00000 -0.00029 -0.00164 0.00000 0.00000 65 8D+2 0.00000 -0.00008 -0.00020 0.00000 0.00000 66 8D-2 0.00000 -0.00001 -0.00003 0.00000 0.00000 67 4 Cu 1S 0.00000 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157 3S -0.00019 0.00022 0.00049 0.00133 0.00000 158 4PX -0.00001 -0.00009 -0.00030 0.00040 0.00000 159 4PY -0.00002 -0.00028 0.00009 0.00105 0.00000 160 4PZ 0.00000 -0.00006 -0.00013 0.00001 0.00000 161 5PX -0.00004 -0.00014 0.00000 -0.00003 0.00000 162 5PY -0.00012 -0.00002 0.00025 -0.00006 0.00000 163 5PZ -0.00006 0.00016 0.00044 -0.00003 0.00000 164 9 O 1S 0.00000 0.00001 0.00002 -0.00004 0.00000 165 2S 0.00000 -0.00010 -0.00032 0.00053 0.00000 166 3S 0.00000 -0.00026 -0.00083 0.00193 0.00000 167 4PX 0.00000 0.00005 -0.00013 -0.00016 0.00000 168 4PY 0.00000 -0.00014 0.00025 -0.00040 0.00000 169 4PZ 0.00000 -0.00009 -0.00021 0.00001 0.00000 170 5PX 0.00000 0.00008 -0.00037 -0.00024 0.00000 171 5PY 0.00000 -0.00036 0.00052 -0.00059 0.00000 172 5PZ 0.00000 -0.00024 -0.00060 0.00002 0.00000 146 147 148 149 150 146 7D+1 1.49296 147 7D-1 0.00000 1.49304 148 7D+2 0.00000 0.00000 1.49917 149 7D-2 0.00000 0.00000 0.00000 1.49410 150 8D 0 0.00000 0.00000 0.00000 0.00000 0.15839 151 8D+1 0.14445 0.00000 0.00000 0.00000 0.00000 152 8D-1 0.00000 0.14452 0.00000 0.00000 0.00000 153 8D+2 0.00000 0.00000 0.14515 0.00000 0.00000 154 8D-2 0.00000 0.00000 0.00000 0.14467 0.00000 155 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 156 2S 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 0.00000 0.00000 0.00000 0.00000 158 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 8D+1 0.15780 152 8D-1 0.00000 0.15798 153 8D+2 0.00000 0.00000 0.15862 154 8D-2 0.00000 0.00000 0.00000 0.15815 155 8 C 1S 0.00000 0.00000 0.00000 0.00000 2.09434 156 2S 0.00000 0.00000 0.00000 0.00000 -0.04985 157 3S 0.00000 0.00001 0.00000 0.00001 -0.03665 158 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 5PX 0.00000 0.00001 0.00000 0.00000 0.00000 162 5PY 0.00001 0.00001 0.00000 0.00001 0.00000 163 5PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 164 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2S 0.00000 0.00000 0.00000 0.00000 -0.00027 166 3S 0.00000 0.00000 0.00000 0.00000 0.00147 167 4PX 0.00000 0.00000 0.00000 0.00000 -0.00142 168 4PY 0.00000 0.00000 0.00000 0.00000 -0.00379 169 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00008 170 5PX 0.00000 0.00000 0.00000 0.00000 -0.00069 171 5PY 0.00000 0.00000 0.00000 0.00000 -0.00185 172 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 156 157 158 159 160 156 2S 0.51130 157 3S 0.31876 0.45382 158 4PX 0.00000 0.00000 0.43383 159 4PY 0.00000 0.00000 0.00000 0.58737 160 4PZ 0.00000 0.00000 0.00000 0.00000 0.37772 161 5PX 0.00000 0.00000 0.02214 0.00000 0.00000 162 5PY 0.00000 0.00000 0.00000 0.00767 0.00000 163 5PZ 0.00000 0.00000 0.00000 0.00000 0.03843 164 9 O 1S -0.00032 0.00221 -0.00137 -0.00366 -0.00007 165 2S 0.00206 -0.02796 0.01753 0.04693 0.00092 166 3S -0.03892 -0.05716 -0.00197 -0.00519 -0.00038 167 4PX 0.02076 -0.00068 0.00670 0.09590 0.00193 168 4PY 0.05557 -0.00203 0.09590 0.05046 0.00510 169 4PZ 0.00118 0.00051 0.00191 0.00507 0.06734 170 5PX 0.00659 -0.00103 0.02506 0.02782 0.00052 171 5PY 0.01760 -0.00304 0.02779 0.00007 0.00134 172 5PZ 0.00048 0.00074 0.00059 0.00154 0.05883 161 162 163 164 165 161 5PX 0.01638 162 5PY 0.00000 0.02196 163 5PZ 0.00000 0.00000 0.02150 164 9 O 1S 0.00017 0.00046 -0.00001 2.11855 165 2S -0.00054 -0.00148 0.00013 -0.07068 0.60393 166 3S 0.00292 0.00781 0.00030 -0.04557 0.41442 167 4PX 0.00859 -0.00014 -0.00004 0.00000 0.00000 168 4PY -0.00013 0.00348 -0.00011 0.00000 0.00000 169 4PZ -0.00005 -0.00015 0.00993 0.00000 0.00000 170 5PX 0.00877 0.00105 -0.00002 0.00000 0.00000 171 5PY 0.00106 0.00353 -0.00007 0.00000 0.00000 172 5PZ -0.00003 -0.00011 0.00885 0.00000 0.00000 166 167 168 169 170 166 3S 0.53821 167 4PX 0.00000 0.83693 168 4PY 0.00000 0.00000 0.84798 169 4PZ 0.00000 0.00000 0.00000 0.85134 170 5PX 0.00000 0.14393 0.00000 0.00000 0.10780 171 5PY 0.00000 0.00000 0.10651 0.00000 0.00000 172 5PZ 0.00000 0.00000 0.00000 0.17104 0.00000 171 172 171 5PY 0.06720 172 5PZ 0.00000 0.13804 Gross orbital populations: TOTAL ALPHA BETA SPIN 1 1 Cu 1S 2.00513 1.00256 1.00257 -0.00001 2 2S 0.67270 0.33397 0.33873 -0.00476 3 3S 0.21265 0.09876 0.11389 -0.01512 4 4PX 1.99482 0.99744 0.99739 0.00005 5 4PY 1.99470 0.99740 0.99729 0.00011 6 4PZ 1.99472 0.99741 0.99730 0.00011 7 5PX 0.11690 0.06386 0.05304 0.01082 8 5PY 0.09622 0.06723 0.02900 0.03823 9 5PZ 0.09947 0.06105 0.03842 0.02264 10 6PX -0.00883 -0.00218 -0.00665 0.00447 11 6PY 0.00536 0.00561 -0.00025 0.00586 12 6PZ -0.00081 0.00148 -0.00229 0.00377 13 7D 0 1.64765 0.82580 0.82186 0.00394 14 7D+1 1.63608 0.81867 0.81742 0.00125 15 7D-1 1.65824 0.82893 0.82931 -0.00038 16 7D+2 1.64151 0.82380 0.81772 0.00608 17 7D-2 1.65469 0.82705 0.82764 -0.00059 18 8D 0 0.32186 0.16066 0.16121 -0.00055 19 8D+1 0.32367 0.16173 0.16195 -0.00022 20 8D-1 0.32153 0.16086 0.16066 0.00020 21 8D+2 0.32337 0.16121 0.16216 -0.00095 22 8D-2 0.32205 0.16112 0.16093 0.00019 23 2 Cu 1S 2.00510 1.00255 1.00255 -0.00001 24 2S 0.67902 0.33871 0.34031 -0.00160 25 3S 0.21434 0.09994 0.11441 -0.01447 26 4PX 1.99436 0.99721 0.99715 0.00006 27 4PY 1.99493 0.99751 0.99742 0.00009 28 4PZ 1.99491 0.99749 0.99742 0.00007 29 5PX 0.06737 0.03767 0.02970 0.00797 30 5PY 0.11319 0.07045 0.04274 0.02771 31 5PZ 0.12000 0.07276 0.04724 0.02552 32 6PX 0.00901 0.00417 0.00484 -0.00067 33 6PY -0.00610 -0.00124 -0.00487 0.00363 34 6PZ -0.00745 -0.00351 -0.00394 0.00044 35 7D 0 1.65073 0.82584 0.82489 0.00096 36 7D+1 1.65210 0.82618 0.82592 0.00026 37 7D-1 1.64006 0.82176 0.81830 0.00346 38 7D+2 1.64329 0.82350 0.81979 0.00372 39 7D-2 1.65145 0.82622 0.82523 0.00099 40 8D 0 0.32269 0.16132 0.16137 -0.00006 41 8D+1 0.32223 0.16116 0.16107 0.00008 42 8D-1 0.32336 0.16143 0.16192 -0.00049 43 8D+2 0.32227 0.16081 0.16146 -0.00065 44 8D-2 0.32158 0.16076 0.16081 -0.00005 45 3 Cu 1S 2.00507 1.00253 1.00254 -0.00001 46 2S 0.68311 0.34154 0.34157 -0.00003 47 3S 0.21166 0.09871 0.11295 -0.01425 48 4PX 1.99489 0.99746 0.99743 0.00004 49 4PY 1.99472 0.99741 0.99731 0.00010 50 4PZ 1.99458 0.99732 0.99726 0.00006 51 5PX 0.11915 0.06396 0.05519 0.00877 52 5PY 0.08216 0.05188 0.03027 0.02161 53 5PZ 0.09105 0.05901 0.03204 0.02697 54 6PX -0.01325 -0.00641 -0.00683 0.00042 55 6PY -0.00641 -0.00544 -0.00098 -0.00446 56 6PZ 0.01195 0.00373 0.00822 -0.00450 57 7D 0 1.63902 0.82310 0.81593 0.00717 58 7D+1 1.65233 0.82654 0.82579 0.00075 59 7D-1 1.65656 0.82875 0.82781 0.00094 60 7D+2 1.64821 0.82398 0.82423 -0.00026 61 7D-2 1.64111 0.82048 0.82063 -0.00015 62 8D 0 0.32264 0.16081 0.16184 -0.00103 63 8D+1 0.32166 0.16080 0.16086 -0.00007 64 8D-1 0.32113 0.16053 0.16060 -0.00007 65 8D+2 0.32304 0.16158 0.16146 0.00011 66 8D-2 0.32320 0.16164 0.16156 0.00008 67 4 Cu 1S 2.00512 1.00256 1.00256 -0.00001 68 2S 0.67764 0.33783 0.33981 -0.00197 69 3S 0.21524 0.10035 0.11490 -0.01455 70 4PX 1.99458 0.99730 0.99727 0.00003 71 4PY 1.99467 0.99739 0.99727 0.00012 72 4PZ 1.99496 0.99752 0.99744 0.00008 73 5PX 0.09452 0.05430 0.04022 0.01408 74 5PY 0.08380 0.05374 0.03006 0.02368 75 5PZ 0.12437 0.07460 0.04977 0.02483 76 6PX 0.00777 0.00491 0.00287 0.00204 77 6PY -0.00045 0.00107 -0.00153 0.00260 78 6PZ -0.01151 -0.00485 -0.00666 0.00181 79 7D 0 1.65142 0.82543 0.82599 -0.00056 80 7D+1 1.64120 0.82299 0.81821 0.00477 81 7D-1 1.64910 0.82415 0.82495 -0.00080 82 7D+2 1.64385 0.82456 0.81930 0.00526 83 7D-2 1.65226 0.82658 0.82568 0.00090 84 8D 0 0.32359 0.16190 0.16168 0.00022 85 8D+1 0.32286 0.16104 0.16181 -0.00077 86 8D-1 0.32201 0.16115 0.16086 0.00029 87 8D+2 0.32144 0.16032 0.16112 -0.00080 88 8D-2 0.32236 0.16112 0.16124 -0.00013 89 5 Cu 1S 2.00513 1.00256 1.00257 -0.00001 90 2S 0.67197 0.33340 0.33856 -0.00516 91 3S 0.21106 0.09795 0.11311 -0.01516 92 4PX 1.99466 0.99735 0.99731 0.00004 93 4PY 1.99497 0.99754 0.99743 0.00012 94 4PZ 1.99461 0.99736 0.99725 0.00012 95 5PX 0.10374 0.06008 0.04366 0.01642 96 5PY 0.12081 0.07771 0.04310 0.03461 97 5PZ 0.08893 0.05547 0.03346 0.02200 98 6PX 0.00145 0.00218 -0.00073 0.00290 99 6PY -0.01087 -0.00161 -0.00926 0.00764 100 6PZ 0.00383 0.00352 0.00032 0.00320 101 7D 0 1.64256 0.82459 0.81797 0.00662 102 7D+1 1.65262 0.82634 0.82628 0.00006 103 7D-1 1.64950 0.82453 0.82497 -0.00044 104 7D+2 1.65433 0.82676 0.82758 -0.00082 105 7D-2 1.63926 0.82209 0.81717 0.00492 106 8D 0 0.32160 0.16026 0.16134 -0.00108 107 8D+1 0.32323 0.16162 0.16160 0.00002 108 8D-1 0.32136 0.16079 0.16056 0.00023 109 8D+2 0.32289 0.16158 0.16131 0.00027 110 8D-2 0.32341 0.16131 0.16210 -0.00079 111 6 Cu 1S 1.99758 0.99878 0.99880 -0.00003 112 2S 0.59666 0.33854 0.25812 0.08043 113 3S -0.15533 -0.06517 -0.09016 0.02499 114 4PX 1.99530 0.99765 0.99765 0.00000 115 4PY 1.99546 0.99772 0.99774 -0.00002 116 4PZ 1.99525 0.99763 0.99762 0.00002 117 5PX 0.26423 0.13592 0.12831 0.00761 118 5PY 0.29138 0.14824 0.14314 0.00511 119 5PZ 0.25430 0.13224 0.12206 0.01018 120 6PX -0.01573 -0.00787 -0.00786 -0.00001 121 6PY 0.02358 0.00898 0.01460 -0.00563 122 6PZ -0.02287 -0.00725 -0.01562 0.00837 123 7D 0 1.63459 0.81603 0.81856 -0.00252 124 7D+1 1.65350 0.83013 0.82337 0.00676 125 7D-1 1.64913 0.83375 0.81538 0.01838 126 7D+2 1.61800 0.80873 0.80927 -0.00054 127 7D-2 1.62174 0.81195 0.80979 0.00217 128 8D 0 0.30703 0.15412 0.15291 0.00122 129 8D+1 0.30325 0.15115 0.15209 -0.00094 130 8D-1 0.30216 0.14931 0.15285 -0.00354 131 8D+2 0.31092 0.15577 0.15516 0.00061 132 8D-2 0.30696 0.15334 0.15362 -0.00027 133 7 Cu 1S 2.00417 1.00208 1.00209 -0.00001 134 2S 0.61570 0.40876 0.20694 0.20182 135 3S 0.03251 0.06917 -0.03665 0.10582 136 4PX 1.99498 0.99748 0.99751 -0.00003 137 4PY 1.99464 0.99730 0.99734 -0.00004 138 4PZ 1.99479 0.99739 0.99740 -0.00001 139 5PX 0.15113 0.08692 0.06421 0.02271 140 5PY 0.13314 0.08093 0.05222 0.02871 141 5PZ 0.15061 0.09261 0.05800 0.03461 142 6PX 0.03714 0.02273 0.01442 0.00831 143 6PY 0.02087 0.02033 0.00054 0.01979 144 6PZ 0.01231 0.00848 0.00383 0.00466 145 7D 0 1.65098 0.82335 0.82763 -0.00428 146 7D+1 1.64129 0.81976 0.82153 -0.00177 147 7D-1 1.64121 0.82138 0.81983 0.00155 148 7D+2 1.64773 0.82218 0.82555 -0.00337 149 7D-2 1.64249 0.82071 0.82179 -0.00108 150 8D 0 0.31397 0.15864 0.15533 0.00331 151 8D+1 0.31654 0.15964 0.15690 0.00273 152 8D-1 0.31632 0.15929 0.15704 0.00225 153 8D+2 0.31514 0.15910 0.15605 0.00305 154 8D-2 0.31635 0.15947 0.15688 0.00259 155 8 C 1S 1.99853 0.99928 0.99925 0.00003 156 2S 0.88607 0.45079 0.43528 0.01550 157 3S 0.69318 0.35078 0.34241 0.00837 158 4PX 0.65100 0.32865 0.32235 0.00630 159 4PY 0.83940 0.42631 0.41309 0.01322 160 4PZ 0.58211 0.30526 0.27685 0.02840 161 5PX 0.07206 0.03568 0.03638 -0.00070 162 5PY 0.05020 0.02440 0.02580 -0.00140 163 5PZ 0.10626 0.06225 0.04401 0.01823 164 9 O 1S 1.99922 0.99961 0.99961 0.00000 165 2S 0.99005 0.49560 0.49445 0.00115 166 3S 0.83694 0.41782 0.41912 -0.00129 167 4PX 1.11119 0.55546 0.55573 -0.00027 168 4PY 1.15459 0.57931 0.57528 0.00404 169 4PZ 1.10740 0.56220 0.54520 0.01700 170 5PX 0.31776 0.15816 0.15960 -0.00144 171 5PY 0.21734 0.10769 0.10964 -0.00195 172 5PZ 0.37399 0.18700 0.18700 0.00000 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.043029 -0.022657 0.069419 0.073991 -0.020818 -0.077625 2 Cu -0.022657 19.040694 -0.019872 0.071551 0.072744 -0.078652 3 Cu 0.069419 -0.019872 19.037543 -0.020634 0.069135 -0.080508 4 Cu 0.073991 0.071551 -0.020634 19.041506 -0.022654 -0.077250 5 Cu -0.020818 0.072744 0.069135 -0.022654 19.041080 -0.077373 6 Cu -0.077625 -0.078652 -0.080508 -0.077250 -0.077373 19.235097 7 Cu -0.035872 -0.041740 -0.048589 -0.041054 -0.035796 -0.100924 8 C 0.013629 0.008766 0.009746 0.008969 0.014639 0.150046 9 O -0.009400 -0.002391 0.001343 -0.003632 -0.009914 0.034280 7 8 9 1 Cu -0.035872 0.013629 -0.009400 2 Cu -0.041740 0.008766 -0.002391 3 Cu -0.048589 0.009746 0.001343 4 Cu -0.041054 0.008969 -0.003632 5 Cu -0.035796 0.014639 -0.009914 6 Cu -0.100924 0.150046 0.034280 7 Cu 19.246692 0.003108 -0.001783 8 C 0.003108 5.119225 0.550698 9 O -0.001783 0.550698 7.549282 Mulliken atomic charges: 1 1 Cu -0.033696 2 Cu -0.028445 3 Cu -0.017583 4 Cu -0.030794 5 Cu -0.031043 6 Cu 0.072909 7 Cu 0.055959 8 C 0.121174 9 O -0.108482 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.033696 2 Cu -0.028445 3 Cu -0.017583 4 Cu -0.030794 5 Cu -0.031043 6 Cu 0.072909 7 Cu 0.055959 8 C 0.121174 9 O -0.108482 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.031497 -0.002848 0.005002 0.006164 -0.003234 0.009335 2 Cu -0.002848 0.024964 -0.003792 0.005512 0.005932 0.010895 3 Cu 0.005002 -0.003792 0.020137 -0.003656 0.005006 0.009051 4 Cu 0.006164 0.005512 -0.003656 0.026739 -0.002795 0.011533 5 Cu -0.003234 0.005932 0.005006 -0.002795 0.031390 0.008335 6 Cu 0.009335 0.010895 0.009051 0.011533 0.008335 0.177660 7 Cu 0.030575 0.019080 0.011651 0.020626 0.031928 -0.064164 8 C -0.001133 -0.002871 -0.000997 -0.003150 -0.000504 -0.009820 9 O -0.000226 0.000104 -0.000193 0.000146 -0.000342 -0.000496 7 8 9 1 Cu 0.030575 -0.001133 -0.000226 2 Cu 0.019080 -0.002871 0.000104 3 Cu 0.011651 -0.000997 -0.000193 4 Cu 0.020626 -0.003150 0.000146 5 Cu 0.031928 -0.000504 -0.000342 6 Cu -0.064164 -0.009820 -0.000496 7 Cu 0.382950 -0.001414 0.000090 8 C -0.001414 0.132621 -0.024769 9 O 0.000090 -0.024769 0.042916 Mulliken atomic spin densities: 1 1 Cu 0.075132 2 Cu 0.056977 3 Cu 0.042210 4 Cu 0.061119 5 Cu 0.075717 6 Cu 0.152329 7 Cu 0.431323 8 C 0.087964 9 O 0.017230 Sum of Mulliken spin densities= 1.00000 Electronic spatial extent (au): = 2868.7263 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0112 Y= 0.0051 Z= -0.4590 Tot= 0.4591 Quadrupole moment (field-independent basis, Debye-Ang): XX= -100.8796 YY= -105.7484 ZZ= -102.3840 XY= 5.0269 XZ= 3.4894 YZ= -5.5292 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.1244 YY= -2.7444 ZZ= 0.6200 XY= 5.0269 XZ= 3.4894 YZ= -5.5292 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 63.2427 YYY= -98.7429 ZZZ= -67.9253 XYY= 19.2860 XXY= -32.9564 XXZ= -22.4347 XZZ= 25.7688 YZZ= -41.1694 YYZ= -25.1884 XYZ= 3.0981 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1126.8540 YYYY= -1417.1817 ZZZZ= -1051.9905 XXXY= 135.5440 XXXZ= 65.2230 YYYX= 156.9264 YYYZ= -118.4461 ZZZX= 60.3335 ZZZY= -97.7173 XXYY= -434.7535 XXZZ= -364.5883 YYZZ= -408.4948 XXYZ= -40.3755 YYXZ= 33.1954 ZZXY= 44.3049 N-N= 1.707327387782D+03 E-N=-7.043669027565D+03 KE= 1.004842316410D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.26389 29.12397 2 O -10.34592 15.96875 3 O -4.34458 2.68611 4 O -4.29805 2.68655 5 O -4.29614 2.68621 6 O -4.29580 2.68767 7 O -4.29563 2.68798 8 O -4.29495 2.68654 9 O -4.29473 2.68928 10 O -2.85547 5.08032 11 O -2.84886 5.08673 12 O -2.84823 5.08634 13 O -2.80601 5.07423 14 O -2.80598 5.07390 15 O -2.80531 5.07278 16 O -2.80456 5.08633 17 O -2.80446 5.08413 18 O -2.80394 5.07562 19 O -2.80389 5.08434 20 O -2.80338 5.08818 21 O -2.80319 5.08267 22 O -2.80306 5.09501 23 O -2.80229 5.09802 24 O -2.80212 5.09109 25 O -2.80205 5.09500 26 O -2.80178 5.09149 27 O -2.80161 5.09120 28 O -2.80138 5.10055 29 O -2.80084 5.08976 30 O -2.80065 5.09206 31 O -1.18009 2.85391 32 O -0.58225 2.51286 33 O -0.48270 2.12064 34 O -0.47639 2.02644 35 O -0.46380 2.32103 36 O -0.36104 2.02830 37 O -0.33859 7.82165 38 O -0.33821 7.74940 39 O -0.32763 8.72257 40 O -0.32755 8.72274 41 O -0.32435 7.23913 42 O -0.30844 7.55289 43 O -0.30818 8.35299 44 O -0.30770 7.98703 45 O -0.30754 8.47737 46 O -0.30733 8.51298 47 O -0.30145 8.42294 48 O -0.29199 8.65713 49 O -0.29180 8.68145 50 O -0.29149 8.93076 51 O -0.29118 8.92122 52 O -0.27969 9.17850 53 O -0.27916 9.06921 54 O -0.27908 9.08059 55 O -0.27879 9.17666 56 O -0.27315 8.63970 57 O -0.27269 8.64342 58 O -0.27143 8.78612 59 O -0.26812 9.48758 60 O -0.26729 9.48226 61 O -0.26693 9.32987 62 O -0.26679 9.31639 63 O -0.26538 9.27021 64 O -0.26151 9.57959 65 O -0.26106 9.57409 66 O -0.25947 9.64033 67 O -0.25930 9.52569 68 O -0.25926 9.59719 69 O -0.25303 9.68490 70 O -0.25290 9.71768 71 O -0.25212 9.69097 72 O -0.20693 2.73840 73 O -0.20685 2.73591 74 O -0.14715 1.78759 75 V -0.08374 1.79180 76 V -0.08110 1.52051 77 V -0.08051 0.79532 78 V -0.07983 1.21390 79 V -0.07387 1.05825 80 V -0.02619 0.81863 81 V -0.02215 0.86370 82 V -0.00470 0.63186 83 V -0.00330 0.72044 84 V 0.00387 0.60051 85 V 0.01112 0.50939 86 V 0.01124 0.50993 87 V 0.02061 0.51045 88 V 0.03300 0.42667 89 V 0.04210 0.31517 90 V 0.04222 0.31637 91 V 0.04522 0.31600 92 V 0.04638 0.33216 93 V 0.04647 0.32958 94 V 0.05115 0.35130 95 V 0.05199 0.35666 96 V 0.06311 0.41339 97 V 0.06329 0.44387 98 V 0.07218 0.35124 99 V 0.07266 0.35935 100 V 0.07979 0.36154 101 V 0.07996 0.37931 102 V 0.08530 0.70240 103 V 0.09069 0.45385 104 V 0.09072 0.45624 105 V 0.09473 0.23301 106 V 0.09686 0.26320 107 V 0.11159 0.16890 108 V 0.14448 0.84927 109 V 0.14474 0.85377 110 V 0.17295 1.15394 111 V 0.18594 1.08441 112 V 0.18841 1.27452 113 V 0.21218 1.09354 114 V 0.24382 1.21083 115 V 0.24592 1.18937 116 V 0.24813 1.22208 117 V 0.25590 1.38552 118 V 0.27493 1.66685 119 V 0.28642 1.06799 120 V 0.30664 1.60476 121 V 0.31601 1.58878 122 V 0.33586 1.65238 123 V 0.40082 1.38639 124 V 0.41375 1.36985 125 V 0.54083 2.74192 126 V 0.63708 4.56656 127 V 0.63723 4.57227 128 V 0.65197 3.50773 129 V 0.67266 3.94144 130 V 0.67640 3.92978 131 V 0.68034 3.64820 132 V 0.68492 3.81360 133 V 0.68798 3.39630 134 V 0.71525 4.23569 135 V 0.72920 4.06581 136 V 0.74498 3.76373 137 V 0.79120 4.06268 138 V 0.79970 3.93462 139 V 0.85142 3.19727 140 V 0.85710 4.34341 141 V 0.85926 4.36262 142 V 0.86382 4.33835 143 V 0.86766 4.30889 144 V 0.87814 4.42108 145 V 0.87923 4.38190 146 V 0.97618 4.48214 147 V 0.97692 4.43903 148 V 0.98494 4.19641 149 V 1.04035 4.43930 150 V 1.04141 4.44605 151 V 1.06165 4.48713 152 V 1.09665 4.37011 153 V 1.15576 4.20892 154 V 1.16172 4.21748 155 V 1.21976 4.66128 156 V 1.24819 4.65206 157 V 1.24850 4.65124 158 V 1.27510 4.66160 159 V 1.27870 4.66072 160 V 1.32532 4.69011 161 V 1.32683 4.68052 162 V 1.33927 4.71496 163 V 1.34344 4.64868 164 V 1.35089 4.74287 165 V 1.64009 3.49985 166 V 1.79807 2.10583 167 V 1.80481 2.02884 168 V 1.82086 2.02511 169 V 2.17677 1.30305 170 V 2.24174 1.55824 171 V 2.55829 1.39801 172 V 9.39938 2.85827 Orbital energies and kinetic energies (beta): 1 2 1 O -19.26306 29.12461 2 O -10.34411 15.96959 3 O -4.34241 2.68604 4 O -4.29724 2.68663 5 O -4.29551 2.68634 6 O -4.29513 2.68764 7 O -4.29495 2.68786 8 O -4.29422 2.68649 9 O -4.29400 2.68924 10 O -2.85318 5.08096 11 O -2.84699 5.08667 12 O -2.84598 5.08626 13 O -2.80518 5.07524 14 O -2.80518 5.07552 15 O -2.80455 5.07068 16 O -2.80391 5.07533 17 O -2.80377 5.08166 18 O -2.80346 5.08357 19 O -2.80332 5.08168 20 O -2.80287 5.08986 21 O -2.80271 5.08831 22 O -2.80231 5.09717 23 O -2.80189 5.09735 24 O -2.80178 5.09704 25 O -2.80131 5.10046 26 O -2.80117 5.09041 27 O -2.80074 5.09120 28 O -2.80055 5.09100 29 O -2.79968 5.08956 30 O -2.79949 5.09194 31 O -1.17814 2.85199 32 O -0.57903 2.51802 33 O -0.47889 2.12978 34 O -0.47530 2.02960 35 O -0.45699 2.28125 36 O -0.35569 2.25398 37 O -0.33746 7.84499 38 O -0.33675 7.73256 39 O -0.32580 8.72779 40 O -0.32570 8.73542 41 O -0.31965 7.20429 42 O -0.30707 8.37337 43 O -0.30687 8.37750 44 O -0.30653 8.53081 45 O -0.30640 8.55087 46 O -0.30553 7.26286 47 O -0.29963 8.33783 48 O -0.29135 8.62142 49 O -0.29117 8.63781 50 O -0.29062 8.99753 51 O -0.29031 8.97981 52 O -0.27837 9.19111 53 O -0.27789 9.09372 54 O -0.27783 9.09579 55 O -0.27754 9.17396 56 O -0.27191 8.70731 57 O -0.27183 8.71740 58 O -0.26805 9.46008 59 O -0.26748 8.89467 60 O -0.26719 9.48633 61 O -0.26594 9.37243 62 O -0.26548 9.22237 63 O -0.26142 9.31243 64 O -0.25961 9.58122 65 O -0.25929 9.71254 66 O -0.25881 9.57612 67 O -0.25767 9.54195 68 O -0.25764 9.53757 69 O -0.25257 9.71700 70 O -0.25161 9.69784 71 O -0.25078 9.70295 72 O -0.20394 2.63987 73 O -0.20358 2.63081 74 V -0.09998 1.73020 75 V -0.07970 0.79744 76 V -0.07952 0.88431 77 V -0.07709 1.84887 78 V -0.07696 1.20318 79 V -0.07038 1.51456 80 V -0.01750 0.73564 81 V -0.01529 0.73958 82 V -0.00317 0.67989 83 V -0.00255 0.74796 84 V 0.00984 0.44850 85 V 0.01143 0.50306 86 V 0.01149 0.50393 87 V 0.02329 0.55533 88 V 0.03422 0.42221 89 V 0.04218 0.31487 90 V 0.04231 0.31581 91 V 0.04724 0.31234 92 V 0.04735 0.31331 93 V 0.04844 0.34788 94 V 0.05344 0.35067 95 V 0.05404 0.35474 96 V 0.06512 0.46436 97 V 0.06527 0.44347 98 V 0.07256 0.34625 99 V 0.07304 0.34979 100 V 0.07977 0.37741 101 V 0.07998 0.39829 102 V 0.09089 0.45725 103 V 0.09091 0.46087 104 V 0.09176 0.70668 105 V 0.09547 0.23506 106 V 0.09801 0.31361 107 V 0.11133 0.16899 108 V 0.14735 0.84723 109 V 0.14806 0.85235 110 V 0.17600 1.13900 111 V 0.18817 1.06418 112 V 0.19149 1.27859 113 V 0.21495 1.12101 114 V 0.24683 1.17335 115 V 0.24777 1.17421 116 V 0.25253 1.24393 117 V 0.26105 1.38196 118 V 0.27801 1.65988 119 V 0.28658 1.06786 120 V 0.31089 1.61512 121 V 0.31887 1.56541 122 V 0.33982 1.64848 123 V 0.40375 1.39589 124 V 0.41472 1.37173 125 V 0.54357 2.71468 126 V 0.63997 4.55693 127 V 0.64018 4.56163 128 V 0.65547 3.52202 129 V 0.67425 3.94008 130 V 0.67812 3.95712 131 V 0.68238 3.62726 132 V 0.68615 3.80609 133 V 0.68903 3.41180 134 V 0.71667 4.23382 135 V 0.73070 4.03772 136 V 0.74730 3.73403 137 V 0.79497 4.07617 138 V 0.80285 3.95601 139 V 0.85442 3.24941 140 V 0.85962 4.27162 141 V 0.86169 4.30278 142 V 0.86747 4.36762 143 V 0.87056 4.33243 144 V 0.87939 4.42404 145 V 0.88075 4.36669 146 V 0.97843 4.47717 147 V 0.97913 4.43526 148 V 0.98758 4.19654 149 V 1.04296 4.44101 150 V 1.04403 4.44739 151 V 1.06309 4.48378 152 V 1.10086 4.36787 153 V 1.15783 4.20517 154 V 1.16329 4.21482 155 V 1.22613 4.66692 156 V 1.24953 4.65175 157 V 1.24973 4.65161 158 V 1.27945 4.65992 159 V 1.28299 4.65928 160 V 1.32907 4.68693 161 V 1.33125 4.67372 162 V 1.34158 4.70969 163 V 1.34352 4.64977 164 V 1.35271 4.73981 165 V 1.64131 3.50369 166 V 1.80125 2.09260 167 V 1.80529 2.03904 168 V 1.82098 2.02542 169 V 2.17805 1.30266 170 V 2.24311 1.55808 171 V 2.56166 1.39612 172 V 9.40094 2.85820 Total kinetic energy from orbitals= 1.004842316410D+03 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00056 0.00020 0.00019 2 Cu(63) 0.00000 0.00043 0.00015 0.00014 3 Cu(63) 0.00000 0.00038 0.00014 0.00013 4 Cu(63) 0.00000 0.00044 0.00016 0.00015 5 Cu(63) 0.00000 0.00056 0.00020 0.00019 6 Cu(63) 0.00000 0.00053 0.00019 0.00018 7 Cu(63) 0.00001 0.01082 0.00386 0.00361 8 C(13) 0.08991 101.08003 36.06787 33.71667 9 O(17) 0.01357 -8.22872 -2.93621 -2.74481 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.043502 0.041095 0.002406 2 Atom 0.036580 -0.018611 -0.017969 3 Atom -0.040022 0.011499 0.028523 4 Atom 0.010462 0.019735 -0.030197 5 Atom 0.000549 -0.024623 0.024074 6 Atom -0.010155 -0.012248 0.022403 7 Atom 0.025885 -0.018063 -0.007821 8 Atom -0.027216 0.000290 0.026926 9 Atom -0.065229 -0.019519 0.084749 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.000171 -0.058648 -0.006230 2 Atom -0.005085 0.009835 0.049375 3 Atom -0.036970 -0.005213 -0.009030 4 Atom 0.024168 -0.040501 0.029477 5 Atom -0.051277 0.033257 0.033566 6 Atom 0.002972 0.003767 -0.008111 7 Atom 0.045978 0.041316 -0.064526 8 Atom -0.021840 0.041579 -0.071770 9 Atom -0.037658 0.055104 -0.099230 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0836 -11.839 -4.224 -3.949 0.8250 0.0271 0.5644 1 Cu(63) Bbb 0.0365 5.172 1.846 1.725 -0.3917 0.7474 0.5367 Bcc 0.0471 6.667 2.379 2.224 0.4073 0.6638 -0.6272 Baa -0.0687 -9.730 -3.472 -3.246 -0.0997 -0.7035 0.7037 2 Cu(63) Bbb 0.0297 4.199 1.498 1.401 -0.3876 0.6788 0.6237 Bcc 0.0391 5.531 1.974 1.845 0.9164 0.2106 0.3403 Baa -0.0602 -8.523 -3.041 -2.843 0.8793 0.4659 0.0991 3 Cu(63) Bbb 0.0245 3.467 1.237 1.157 -0.3755 0.5500 0.7460 Bcc 0.0357 5.056 1.804 1.686 -0.2931 0.6932 -0.6585 Baa -0.0710 -10.047 -3.585 -3.351 0.5001 -0.3853 0.7755 4 Cu(63) Bbb 0.0308 4.358 1.555 1.454 -0.4519 0.6478 0.6133 Bcc 0.0402 5.689 2.030 1.898 0.7387 0.6572 -0.1498 Baa -0.0851 -12.044 -4.297 -4.017 0.5801 0.7119 -0.3957 5 Cu(63) Bbb 0.0372 5.271 1.881 1.758 -0.4912 0.6933 0.5272 Bcc 0.0478 6.772 2.417 2.259 0.6497 -0.1114 0.7520 Baa -0.0164 -2.317 -0.827 -0.773 -0.5275 0.8198 0.2228 6 Cu(63) Bbb -0.0081 -1.148 -0.410 -0.383 0.8449 0.5335 0.0375 Bcc 0.0245 3.465 1.236 1.156 0.0881 -0.2080 0.9741 Baa -0.1065 -15.082 -5.382 -5.031 -0.4230 0.6671 0.6132 7 Cu(63) Bbb 0.0516 7.305 2.607 2.437 0.2151 -0.5835 0.7831 Bcc 0.0549 7.777 2.775 2.594 0.8802 0.4632 0.1033 Baa -0.0637 -8.543 -3.048 -2.850 -0.3974 0.6217 0.6749 8 C(13) Bbb -0.0392 -5.264 -1.878 -1.756 0.8546 0.5186 0.0255 Bcc 0.1029 13.807 4.927 4.606 0.3342 -0.5870 0.7374 Baa -0.0864 6.255 2.232 2.086 0.8542 0.5193 0.0260 9 O(17) Bbb -0.0776 5.618 2.004 1.874 -0.4387 0.6929 0.5723 Bcc 0.1641 -11.872 -4.236 -3.960 0.2791 -0.5003 0.8197 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sat Apr 12 23:58:08 2008, MaxMem= 1258291200 cpu: 4.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l701.exe) Compute integral first derivatives. ... and contract with generalized density number 0. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 701 at Sat Apr 12 23:58:15 2008, MaxMem= 1258291200 cpu: 18.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l702.exe) L702 exits ... SP integral derivatives will be done elsewhere. Leave Link 702 at Sat Apr 12 23:58:15 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l703.exe) Compute integral first derivatives, UseDBF=F. Integral derivatives from FoFDir, PRISM(SPDF). Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Leave Link 703 at Sat Apr 12 23:58:40 2008, MaxMem= 1258291200 cpu: 78.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole = 4.39132764D-03 2.01049396D-03-1.80565143D-01 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000024667 -0.000111296 0.000162615 2 29 -0.000071205 0.000207081 -0.000253992 3 29 -0.000060844 -0.000036277 0.000011419 4 29 -0.000042965 0.000136500 -0.000230638 5 29 0.000077516 -0.000056451 0.000153708 6 29 -0.000018376 0.000127689 0.000161310 7 29 0.000046435 -0.000127992 0.000070185 8 6 0.000028791 -0.000049792 0.000032650 9 8 0.000065316 -0.000089462 -0.000107256 ------------------------------------------------------------------- Cartesian Forces: Max 0.000253992 RMS 0.000115120 Leave Link 716 at Sat Apr 12 23:58:41 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000200092 RMS 0.000069588 Search for a local minimum. Step number 1 out of a maximum of 61 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- first step. Eigenvalues --- 0.03426 0.04915 0.07577 0.07626 0.07722 Eigenvalues --- 0.08014 0.08025 0.08904 0.09396 0.09581 Eigenvalues --- 0.09740 0.10867 0.10999 0.11024 0.12188 Eigenvalues --- 0.12246 0.12313 0.16898 0.19851 0.25000 Eigenvalues --- 1.198811000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.00000 RFO step: Lambda=-1.91580671D-06. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00051457 RMS(Int)= 0.00000023 Iteration 2 RMS(Cart)= 0.00000016 RMS(Int)= 0.00000010 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.65752 0.00020 0.00000 0.00201 0.00201 4.65953 R2 4.66065 0.00010 0.00000 0.00080 0.00080 4.66144 R3 4.84163 0.00002 0.00000 0.00020 0.00020 4.84184 R4 4.75630 -0.00004 0.00000 -0.00034 -0.00034 4.75596 R5 4.67061 -0.00015 0.00000 -0.00139 -0.00139 4.66922 R6 4.83261 0.00006 0.00000 0.00065 0.00065 4.83326 R7 4.78129 0.00002 0.00000 0.00025 0.00025 4.78154 R8 4.66941 -0.00008 0.00000 -0.00065 -0.00065 4.66876 R9 4.82400 0.00007 0.00000 0.00079 0.00079 4.82479 R10 4.80320 0.00008 0.00000 0.00079 0.00079 4.80399 R11 4.65890 0.00019 0.00000 0.00182 0.00182 4.66072 R12 4.83929 -0.00001 0.00000 -0.00012 -0.00012 4.83917 R13 4.77441 0.00003 0.00000 0.00033 0.00033 4.77474 R14 4.84584 0.00000 0.00000 -0.00008 -0.00008 4.84576 R15 4.75100 -0.00003 0.00000 -0.00026 -0.00026 4.75074 R16 5.42183 -0.00006 0.00000 -0.00051 -0.00051 5.42131 R17 3.64556 0.00018 0.00000 0.00109 0.00109 3.64665 R18 2.21592 0.00012 0.00000 0.00010 0.00010 2.21603 A1 1.88602 -0.00003 0.00000 -0.00027 -0.00027 1.88575 A2 1.88524 0.00001 0.00000 0.00011 0.00011 1.88535 A3 1.88238 0.00004 0.00000 0.00040 0.00040 1.88278 A4 1.88506 0.00001 0.00000 0.00006 0.00006 1.88512 A5 1.88605 -0.00003 0.00000 -0.00030 -0.00030 1.88575 A6 1.79205 0.00000 0.00000 0.00001 0.00001 1.79205 A7 1.78655 0.00004 0.00000 0.00041 0.00041 1.78695 A8 2.04387 0.00000 0.00000 0.00007 0.00007 2.04394 A9 1.79101 -0.00003 0.00000 -0.00032 -0.00032 1.79069 A10 1.78678 0.00004 0.00000 0.00036 0.00036 1.78714 A11 2.24231 0.00001 0.00000 0.00003 0.00003 2.24233 A12 1.79084 0.00002 0.00000 0.00019 0.00019 1.79103 A13 2.35414 -0.00002 0.00000 -0.00021 -0.00021 2.35394 A14 2.20578 0.00000 0.00000 -0.00003 -0.00003 2.20576 A15 2.02422 0.00000 0.00000 0.00003 0.00003 2.02425 A16 2.95840 0.00000 0.00000 0.00004 0.00004 2.95844 A17 1.82003 0.00002 0.00000 0.00015 0.00015 1.82018 A18 1.82621 0.00005 0.00000 0.00045 0.00045 1.82666 A19 1.82167 -0.00003 0.00000 -0.00034 -0.00034 1.82133 A20 1.82537 0.00006 0.00000 0.00053 0.00053 1.82589 A21 1.82133 0.00002 0.00000 0.00023 0.00023 1.82157 A22 2.81020 0.00019 0.00000 0.00076 0.00076 2.81096 D1 0.00378 0.00000 0.00000 -0.00001 -0.00001 0.00378 D2 -0.00036 0.00000 0.00000 -0.00005 -0.00005 -0.00041 D3 -0.00575 0.00000 0.00000 0.00006 0.00006 -0.00569 D4 0.00553 -0.00001 0.00000 -0.00009 -0.00009 0.00544 D5 -0.00321 0.00001 0.00000 0.00009 0.00009 -0.00312 D6 -0.65489 -0.00002 0.00000 -0.00017 -0.00017 -0.65506 D7 -1.85421 -0.00007 0.00000 -0.00071 -0.00071 -1.85492 D8 3.02680 0.00001 0.00000 0.00016 0.00016 3.02696 D9 1.65800 0.00006 0.00000 0.00065 0.00065 1.65864 D10 0.48052 0.00001 0.00000 0.00006 0.00006 0.48058 D11 0.01098 0.00000 0.00000 -0.00006 -0.00006 0.01091 Item Value Threshold Converged? Maximum Force 0.000200 0.000450 YES RMS Force 0.000070 0.000300 YES Maximum Displacement 0.001450 0.001800 YES RMS Displacement 0.000515 0.001200 YES Predicted change in Energy=-9.579051D-07 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 2.4647 -DE/DX = 0.0002 ! ! R2 R(1,5) 2.4663 -DE/DX = 0.0001 ! ! R3 R(1,6) 2.5621 -DE/DX = 0.0 ! ! R4 R(1,7) 2.5169 -DE/DX = 0.0 ! ! R5 R(2,3) 2.4716 -DE/DX = -0.0001 ! ! R6 R(2,6) 2.5573 -DE/DX = 0.0001 ! ! R7 R(2,7) 2.5302 -DE/DX = 0.0 ! ! R8 R(3,4) 2.4709 -DE/DX = -0.0001 ! ! R9 R(3,6) 2.5528 -DE/DX = 0.0001 ! ! R10 R(3,7) 2.5417 -DE/DX = 0.0001 ! ! R11 R(4,5) 2.4654 -DE/DX = 0.0002 ! ! R12 R(4,6) 2.5608 -DE/DX = 0.0 ! ! R13 R(4,7) 2.5265 -DE/DX = 0.0 ! ! R14 R(5,6) 2.5643 -DE/DX = 0.0 ! ! R15 R(5,7) 2.5141 -DE/DX = 0.0 ! ! R16 R(6,7) 2.8691 -DE/DX = -0.0001 ! ! R17 R(6,8) 1.9291 -DE/DX = 0.0002 ! ! R18 R(8,9) 1.1726 -DE/DX = 0.0001 ! ! A1 A(2,1,5) 108.061 -DE/DX = 0.0 ! ! A2 A(1,2,3) 108.0165 -DE/DX = 0.0 ! ! A3 A(2,3,4) 107.8525 -DE/DX = 0.0 ! ! A4 A(3,4,5) 108.006 -DE/DX = 0.0 ! ! A5 A(1,5,4) 108.0629 -DE/DX = 0.0 ! ! A6 A(1,6,3) 102.6766 -DE/DX = 0.0 ! ! A7 A(1,6,4) 102.3616 -DE/DX = 0.0 ! ! A8 A(1,6,8) 117.1049 -DE/DX = 0.0 ! ! A9 A(2,6,4) 102.6173 -DE/DX = 0.0 ! ! A10 A(2,6,5) 102.3751 -DE/DX = 0.0 ! ! A11 A(2,6,8) 128.4746 -DE/DX = 0.0 ! ! A12 A(3,6,5) 102.6077 -DE/DX = 0.0 ! ! A13 A(3,6,8) 134.8824 -DE/DX = 0.0 ! ! A14 A(4,6,8) 126.3822 -DE/DX = 0.0 ! ! A15 A(5,6,8) 115.9793 -DE/DX = 0.0 ! ! A16 A(7,6,8) 169.5041 -DE/DX = 0.0 ! ! A17 A(1,7,3) 104.28 -DE/DX = 0.0 ! ! A18 A(1,7,4) 104.6344 -DE/DX = 0.0001 ! ! A19 A(2,7,4) 104.374 -DE/DX = 0.0 ! ! A20 A(2,7,5) 104.5857 -DE/DX = 0.0001 ! ! A21 A(3,7,5) 104.3548 -DE/DX = 0.0 ! ! A22 A(6,8,9) 161.0129 -DE/DX = 0.0002 ! ! D1 D(5,1,2,3) 0.2167 -DE/DX = 0.0 ! ! D2 D(2,1,5,4) -0.0204 -DE/DX = 0.0 ! ! D3 D(1,2,3,4) -0.3296 -DE/DX = 0.0 ! ! D4 D(2,3,4,5) 0.3169 -DE/DX = 0.0 ! ! D5 D(3,4,5,1) -0.1837 -DE/DX = 0.0 ! ! D6 D(1,6,8,9) -37.5225 -DE/DX = 0.0 ! ! D7 D(2,6,8,9) -106.2386 -DE/DX = -0.0001 ! ! D8 D(3,6,8,9) 173.4226 -DE/DX = 0.0 ! ! D9 D(4,6,8,9) 94.9963 -DE/DX = 0.0001 ! ! D10 D(5,6,8,9) 27.5318 -DE/DX = 0.0 ! ! D11 D(7,6,8,9) 0.6289 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Largest change from initial coordinates is atom 0 0.000 Angstoms. Leave Link 103 at Sat Apr 12 23:58:41 2008, MaxMem= 1258291200 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 -1.155395 -0.864261 1.631278 2 29 0 -2.301639 0.099193 -0.326374 3 29 0 -0.837149 1.842314 -1.288401 4 29 0 1.209360 1.958525 0.091405 5 29 0 1.012061 0.283760 1.889839 6 29 0 0.214729 -0.334065 -0.467751 7 29 0 -1.016537 1.617717 1.237039 8 6 0 1.133797 -1.805029 -1.312252 9 8 0 1.740772 -2.798153 -1.454782 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.464654 0.000000 3 Cu 3.993915 2.471578 0.000000 4 Cu 3.991416 3.994843 2.470946 0.000000 5 Cu 2.466308 3.990774 3.993730 2.465386 0.000000 6 Cu 2.562083 2.557305 2.552752 2.560843 2.564308 7 Cu 2.516928 2.530151 2.541746 2.526508 2.514121 8 C 3.845752 4.049720 4.145879 4.017500 3.825081 9 O 4.653116 5.099902 5.311055 5.029820 4.606051 6 7 8 9 6 Cu 0.000000 7 Cu 2.869108 0.000000 8 C 1.929146 4.778914 0.000000 9 O 3.061824 5.860765 1.172616 0.000000 Symmetry turned off by external request. Stoichiometry CCu7O(2) Framework group C1[X(CCu7O)] Deg. of freedom 21 Full point group C1 Rotational constants (GHZ): 0.3848847 0.3657967 0.3471913 Leave Link 202 at Sat Apr 12 23:58:41 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26389 -10.34592 -4.34458 -4.29805 -4.29614 Alpha occ. eigenvalues -- -4.29580 -4.29563 -4.29495 -4.29473 -2.85547 Alpha occ. eigenvalues -- -2.84886 -2.84823 -2.80601 -2.80598 -2.80531 Alpha occ. eigenvalues -- -2.80456 -2.80446 -2.80394 -2.80389 -2.80338 Alpha occ. eigenvalues -- -2.80319 -2.80306 -2.80229 -2.80212 -2.80205 Alpha occ. eigenvalues -- -2.80178 -2.80161 -2.80138 -2.80084 -2.80065 Alpha occ. eigenvalues -- -1.18009 -0.58225 -0.48270 -0.47639 -0.46380 Alpha occ. eigenvalues -- -0.36104 -0.33859 -0.33821 -0.32763 -0.32755 Alpha occ. eigenvalues -- -0.32435 -0.30844 -0.30818 -0.30770 -0.30754 Alpha occ. eigenvalues -- -0.30733 -0.30145 -0.29199 -0.29180 -0.29149 Alpha occ. eigenvalues -- -0.29118 -0.27969 -0.27916 -0.27908 -0.27879 Alpha occ. eigenvalues -- -0.27315 -0.27269 -0.27143 -0.26812 -0.26729 Alpha occ. eigenvalues -- -0.26693 -0.26679 -0.26538 -0.26151 -0.26106 Alpha occ. eigenvalues -- -0.25947 -0.25930 -0.25926 -0.25303 -0.25290 Alpha occ. eigenvalues -- -0.25212 -0.20693 -0.20685 -0.14715 Alpha virt. eigenvalues -- -0.08374 -0.08110 -0.08051 -0.07983 -0.07387 Alpha virt. eigenvalues -- -0.02619 -0.02215 -0.00470 -0.00330 0.00387 Alpha virt. eigenvalues -- 0.01112 0.01124 0.02061 0.03300 0.04210 Alpha virt. eigenvalues -- 0.04222 0.04522 0.04638 0.04647 0.05115 Alpha virt. eigenvalues -- 0.05199 0.06311 0.06329 0.07218 0.07266 Alpha virt. eigenvalues -- 0.07979 0.07996 0.08530 0.09069 0.09072 Alpha virt. eigenvalues -- 0.09473 0.09686 0.11159 0.14448 0.14474 Alpha virt. eigenvalues -- 0.17295 0.18594 0.18841 0.21218 0.24382 Alpha virt. eigenvalues -- 0.24592 0.24813 0.25590 0.27493 0.28642 Alpha virt. eigenvalues -- 0.30664 0.31601 0.33586 0.40082 0.41375 Alpha virt. eigenvalues -- 0.54083 0.63708 0.63723 0.65197 0.67266 Alpha virt. eigenvalues -- 0.67640 0.68034 0.68492 0.68798 0.71525 Alpha virt. eigenvalues -- 0.72920 0.74498 0.79120 0.79970 0.85142 Alpha virt. eigenvalues -- 0.85710 0.85926 0.86382 0.86766 0.87814 Alpha virt. eigenvalues -- 0.87923 0.97618 0.97692 0.98494 1.04035 Alpha virt. eigenvalues -- 1.04141 1.06165 1.09665 1.15576 1.16172 Alpha virt. eigenvalues -- 1.21976 1.24819 1.24850 1.27510 1.27870 Alpha virt. eigenvalues -- 1.32532 1.32683 1.33927 1.34344 1.35089 Alpha virt. eigenvalues -- 1.64009 1.79807 1.80481 1.82086 2.17677 Alpha virt. eigenvalues -- 2.24174 2.55829 9.39938 Beta occ. eigenvalues -- -19.26306 -10.34411 -4.34241 -4.29724 -4.29551 Beta occ. eigenvalues -- -4.29513 -4.29495 -4.29422 -4.29400 -2.85318 Beta occ. eigenvalues -- -2.84699 -2.84598 -2.80518 -2.80518 -2.80455 Beta occ. eigenvalues -- -2.80391 -2.80377 -2.80346 -2.80332 -2.80287 Beta occ. eigenvalues -- -2.80271 -2.80231 -2.80189 -2.80178 -2.80131 Beta occ. eigenvalues -- -2.80117 -2.80074 -2.80055 -2.79968 -2.79949 Beta occ. eigenvalues -- -1.17814 -0.57903 -0.47889 -0.47530 -0.45699 Beta occ. eigenvalues -- -0.35569 -0.33746 -0.33675 -0.32580 -0.32570 Beta occ. eigenvalues -- -0.31965 -0.30707 -0.30687 -0.30653 -0.30640 Beta occ. eigenvalues -- -0.30553 -0.29963 -0.29135 -0.29117 -0.29062 Beta occ. eigenvalues -- -0.29031 -0.27837 -0.27789 -0.27783 -0.27754 Beta occ. eigenvalues -- -0.27191 -0.27183 -0.26805 -0.26748 -0.26719 Beta occ. eigenvalues -- -0.26594 -0.26548 -0.26142 -0.25961 -0.25929 Beta occ. eigenvalues -- -0.25881 -0.25767 -0.25764 -0.25257 -0.25161 Beta occ. eigenvalues -- -0.25078 -0.20394 -0.20358 Beta virt. eigenvalues -- 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1.04296 1.04403 1.06309 1.10086 1.15783 Beta virt. eigenvalues -- 1.16329 1.22613 1.24953 1.24973 1.27945 Beta virt. eigenvalues -- 1.28299 1.32907 1.33125 1.34158 1.34352 Beta virt. eigenvalues -- 1.35271 1.64131 1.80125 1.80529 1.82098 Beta virt. eigenvalues -- 2.17805 2.24311 2.56166 9.40094 Alpha Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.26389 -10.34592 -4.34458 -4.29805 -4.29614 1 1 Cu 1S -0.00002 0.00006 0.00058 0.02574 0.01718 2 2S -0.00002 0.00000 -0.00080 -0.00055 0.00014 3 3S 0.00026 -0.00113 -0.00222 -0.00125 -0.00249 4 4PX 0.00000 0.00002 -0.00006 -0.00006 -0.00001 5 4PY 0.00000 0.00000 -0.00003 -0.00022 -0.00004 6 4PZ 0.00000 -0.00002 0.00009 0.00011 0.00006 7 5PX 0.00009 -0.00026 -0.00115 0.00041 -0.00007 8 5PY 0.00001 0.00023 0.00006 -0.00103 -0.00048 9 5PZ -0.00012 0.00021 0.00171 -0.00057 0.00087 10 6PX 0.00027 0.00020 -0.00083 -0.00003 0.00056 11 6PY -0.00046 -0.00019 0.00063 -0.00034 0.00034 12 6PZ -0.00028 0.00005 0.00081 0.00009 0.00032 13 7D 0 0.00000 0.00000 -0.00002 0.00003 -0.00001 14 7D+1 0.00001 -0.00003 0.00003 0.00000 -0.00002 15 7D-1 0.00000 0.00003 0.00000 0.00003 0.00000 16 7D+2 0.00000 0.00001 -0.00001 0.00005 0.00000 17 7D-2 0.00000 -0.00002 0.00000 -0.00001 0.00002 18 8D 0 0.00000 -0.00002 -0.00006 0.00000 0.00000 19 8D+1 -0.00003 0.00013 0.00005 -0.00003 0.00010 20 8D-1 0.00003 -0.00017 0.00011 -0.00011 0.00000 21 8D+2 0.00000 -0.00004 -0.00001 -0.00005 0.00000 22 8D-2 -0.00002 0.00010 -0.00007 0.00006 -0.00005 23 2 Cu 1S -0.00008 0.00032 0.00051 0.03446 0.27252 24 2S -0.00013 0.00045 -0.00100 -0.00044 0.00200 25 3S -0.00025 -0.00075 -0.00233 -0.00127 0.00132 26 4PX -0.00001 0.00004 -0.00013 -0.00024 -0.00138 27 4PY 0.00000 -0.00002 0.00002 -0.00011 -0.00037 28 4PZ 0.00000 -0.00001 0.00001 -0.00013 -0.00037 29 5PX -0.00009 0.00032 -0.00209 0.00029 0.00059 30 5PY 0.00007 0.00010 0.00058 -0.00092 -0.00020 31 5PZ 0.00002 0.00003 0.00043 -0.00088 0.00096 32 6PX -0.00001 -0.00030 -0.00048 -0.00029 -0.00008 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118 5PY -0.00370 -0.00330 -0.00034 -0.00105 -0.00083 119 5PZ -0.00100 -0.00090 0.00001 -0.00176 -0.00087 120 6PX -0.00164 -0.00112 0.00318 -0.00113 -0.00193 121 6PY 0.00176 0.00222 0.00198 0.00305 0.00037 122 6PZ 0.00325 0.00350 -0.00009 0.00275 0.00072 123 7D 0 -0.00009 -0.00006 0.00000 0.00030 0.00017 124 7D+1 -0.00008 0.00010 0.00005 -0.00015 0.00021 125 7D-1 -0.00003 0.00012 0.00003 -0.00003 0.00014 126 7D+2 0.00029 -0.00019 -0.00003 0.00011 -0.00004 127 7D-2 -0.00006 0.00022 0.00001 0.00010 0.00005 128 8D 0 0.00044 0.00024 0.00000 -0.00166 -0.00091 129 8D+1 0.00056 -0.00060 -0.00036 0.00091 -0.00099 130 8D-1 0.00025 -0.00069 -0.00022 -0.00007 -0.00082 131 8D+2 -0.00155 0.00113 0.00029 -0.00062 0.00034 132 8D-2 0.00045 -0.00108 -0.00012 -0.00045 -0.00034 133 7 Cu 1S -0.00033 -0.00036 0.00001 -0.00044 -0.00016 134 2S 0.00095 0.00105 -0.00002 0.00140 0.00055 135 3S -0.01034 -0.01027 0.00015 -0.00916 -0.00316 136 4PX 0.04079 -0.10121 0.00735 -0.02644 -0.05625 137 4PY 0.08786 0.00838 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0.00098 -0.00116 0.00011 -0.00196 24 2S 0.00337 0.00568 0.01040 0.00010 0.02146 25 3S 0.02115 0.02993 0.00581 0.03192 0.02718 26 4PX 0.00029 -0.00151 -0.00349 -0.00040 -0.00677 27 4PY -0.00010 0.00005 -0.00013 -0.00032 -0.00022 28 4PZ 0.00004 -0.00003 -0.00046 -0.00019 -0.00104 29 5PX 0.00833 0.01104 0.00216 0.00663 0.01374 30 5PY -0.00228 -0.00078 -0.00254 -0.00049 -0.00376 31 5PZ -0.00238 -0.00344 0.00042 0.00225 0.00248 32 6PX 0.00290 0.00458 0.00186 0.01410 0.00240 33 6PY -0.00183 -0.00510 -0.00282 -0.02637 0.00638 34 6PZ 0.00118 0.01197 -0.01181 -0.01931 -0.00261 35 7D 0 0.00002 -0.00161 -0.00424 -0.00061 -0.00700 36 7D+1 0.00011 0.00024 0.00143 0.00066 0.00424 37 7D-1 -0.00004 0.00015 0.00002 -0.00049 0.00076 38 7D+2 -0.00001 0.00249 0.00659 0.00222 0.01259 39 7D-2 0.00007 -0.00034 0.00121 0.00082 0.00217 40 8D 0 -0.00044 -0.00057 -0.00095 -0.00021 -0.00182 41 8D+1 -0.00080 -0.00057 0.00080 0.00057 0.00287 42 8D-1 0.00036 0.00049 0.00011 -0.00029 -0.00014 43 8D+2 0.00055 0.00061 0.00174 0.00088 0.00373 44 8D-2 -0.00056 -0.00005 0.00121 0.00019 0.00181 45 3 Cu 1S 0.00281 0.00141 -0.00120 0.00000 -0.00223 46 2S 0.00408 0.00585 0.01127 -0.00011 0.02092 47 3S 0.04048 0.02438 0.04450 -0.00539 0.01767 48 4PX 0.00005 -0.00054 -0.00132 0.00007 -0.00221 49 4PY -0.00011 0.00121 0.00309 -0.00003 0.00507 50 4PZ 0.00008 -0.00072 -0.00252 0.00007 -0.00402 51 5PX 0.00679 0.00539 0.00433 0.00097 0.00424 52 5PY -0.01344 -0.01110 -0.00888 0.00162 -0.00845 53 5PZ 0.00253 0.00019 0.00702 -0.00074 0.00473 54 6PX 0.00289 -0.00959 0.01600 -0.00831 0.00349 55 6PY -0.00508 0.01583 -0.02669 -0.00010 -0.00727 56 6PZ -0.00012 0.02225 -0.02307 0.00170 -0.00342 57 7D 0 0.00012 -0.00044 -0.00025 -0.00013 0.00126 58 7D+1 0.00005 0.00099 0.00332 -0.00087 0.00513 59 7D-1 -0.00010 -0.00224 -0.00770 -0.00010 -0.01219 60 7D+2 0.00006 -0.00147 -0.00403 -0.00035 -0.00589 61 7D-2 0.00011 -0.00170 -0.00411 0.00052 -0.00614 62 8D 0 -0.00098 -0.00033 0.00075 -0.00005 0.00189 63 8D+1 -0.00015 -0.00020 0.00126 -0.00037 0.00183 64 8D-1 0.00030 0.00015 -0.00292 0.00002 -0.00436 65 8D+2 -0.00083 -0.00065 -0.00082 -0.00033 -0.00084 66 8D-2 -0.00125 -0.00091 -0.00050 0.00030 -0.00039 67 4 Cu 1S 0.00244 0.00083 -0.00118 -0.00016 -0.00184 68 2S 0.00315 0.00563 0.01027 0.00021 0.02147 69 3S 0.01723 0.03185 -0.00291 -0.02683 0.02721 70 4PX -0.00008 0.00077 0.00194 -0.00052 0.00402 71 4PY -0.00033 0.00130 0.00276 -0.00003 0.00545 72 4PZ -0.00001 0.00026 0.00021 0.00011 0.00026 73 5PX -0.00220 -0.00527 0.00209 0.00223 -0.00446 74 5PY -0.00642 -0.00903 -0.00149 0.00486 -0.01405 75 5PZ -0.00331 -0.00497 -0.00019 -0.00111 0.00039 76 6PX -0.00073 0.00305 0.00021 -0.01774 -0.00749 77 6PY -0.00305 -0.01317 0.00341 0.02320 0.00442 78 6PZ 0.00134 0.00731 -0.00755 0.02027 -0.00177 79 7D 0 -0.00001 -0.00152 -0.00407 0.00064 -0.00748 80 7D+1 -0.00002 0.00021 0.00083 -0.00063 0.00015 81 7D-1 -0.00010 0.00072 0.00088 0.00035 0.00090 82 7D+2 0.00004 -0.00122 -0.00131 -0.00015 -0.00232 83 7D-2 0.00003 0.00199 0.00592 -0.00261 0.01262 84 8D 0 -0.00021 -0.00045 -0.00102 0.00027 -0.00248 85 8D+1 0.00018 0.00009 0.00005 -0.00009 -0.00032 86 8D-1 0.00092 0.00089 0.00003 0.00034 -0.00119 87 8D+2 -0.00048 -0.00013 0.00050 0.00007 0.00016 88 8D-2 0.00020 0.00047 0.00186 -0.00100 0.00458 89 5 Cu 1S 0.00151 -0.00013 -0.00148 -0.00019 -0.00101 90 2S 0.00187 0.00540 0.01240 0.00135 0.02086 91 3S 0.01735 0.03365 -0.00100 0.01359 0.00262 92 4PX -0.00007 0.00041 0.00129 -0.00023 0.00329 93 4PY -0.00005 0.00059 0.00102 0.00025 -0.00004 94 4PZ -0.00015 0.00163 0.00332 0.00044 0.00518 95 5PX -0.00272 -0.00162 -0.00055 -0.00390 -0.00279 96 5PY 0.00112 -0.00214 -0.00085 -0.00043 -0.00453 97 5PZ -0.00507 -0.00885 -0.00352 -0.00394 -0.00661 98 6PX -0.00709 0.00908 -0.01085 -0.01201 -0.00481 99 6PY 0.00310 -0.02882 0.01820 0.00481 0.01549 100 6PZ -0.00302 -0.02465 0.00997 0.00506 0.01340 101 7D 0 -0.00002 0.00190 0.00335 0.00004 0.00761 102 7D+1 -0.00003 0.00128 0.00295 -0.00155 0.01069 103 7D-1 0.00008 0.00136 0.00283 0.00117 -0.00044 104 7D+2 -0.00002 -0.00003 -0.00032 0.00003 0.00371 105 7D-2 -0.00003 -0.00005 -0.00068 -0.00054 -0.00058 106 8D 0 0.00039 0.00055 0.00075 -0.00010 0.00215 107 8D+1 0.00047 0.00040 0.00090 -0.00025 0.00441 108 8D-1 -0.00056 0.00020 0.00042 0.00056 -0.00062 109 8D+2 0.00018 0.00001 -0.00010 0.00013 0.00182 110 8D-2 0.00015 -0.00046 -0.00041 0.00024 -0.00033 111 6 Cu 1S 0.00117 -0.01120 -0.00957 0.00000 -0.00551 112 2S 0.01171 0.08025 0.09190 -0.00007 0.16187 113 3S -0.12124 -0.19558 -0.04581 0.00006 -0.08841 114 4PX -0.00101 -0.01696 -0.01680 -0.00790 -0.02024 115 4PY 0.00167 0.02720 0.02731 -0.00482 0.03207 116 4PZ -0.00009 0.01448 0.00702 -0.00026 0.02468 117 5PX 0.01922 0.02375 0.01313 0.00825 0.02611 118 5PY -0.03142 -0.03891 -0.02154 0.00503 -0.04103 119 5PZ -0.00648 -0.00949 -0.00136 0.00028 -0.03607 120 6PX 0.01742 -0.02955 0.03520 0.08045 0.04283 121 6PY -0.02868 0.05145 -0.06089 0.04881 -0.06930 122 6PZ -0.00053 -0.06432 0.05978 0.00247 -0.01521 123 7D 0 -0.00080 -0.01886 -0.06079 -0.00131 -0.01117 124 7D+1 0.00041 -0.02979 -0.03139 -0.02384 -0.10140 125 7D-1 -0.00063 0.04770 0.05126 -0.01657 0.16095 126 7D+2 -0.00022 -0.02613 -0.05132 0.05741 -0.05887 127 7D-2 -0.00038 -0.05347 -0.10217 -0.02892 -0.12421 128 8D 0 -0.00299 -0.00942 -0.01616 -0.00035 -0.00605 129 8D+1 -0.00847 -0.01213 -0.00642 -0.00608 -0.03037 130 8D-1 0.01349 0.01947 0.01048 -0.00423 0.04832 131 8D+2 -0.00617 -0.01158 -0.01293 0.01544 -0.01890 132 8D-2 -0.01279 -0.02361 -0.02555 -0.00777 -0.03966 133 7 Cu 1S 0.00076 0.00071 -0.00053 0.00000 -0.00151 134 2S 0.00044 0.00439 0.01177 -0.00002 0.02506 135 3S -0.00377 -0.00883 0.01247 -0.00010 0.03136 136 4PX 0.00014 -0.00045 -0.00151 0.00005 -0.00311 137 4PY -0.00023 0.00070 0.00239 0.00003 0.00493 138 4PZ -0.00014 0.00081 0.00220 0.00000 0.00425 139 5PX 0.00087 0.00151 0.00466 0.00100 0.01061 140 5PY -0.00133 -0.00229 -0.00750 0.00064 -0.01695 141 5PZ -0.00289 -0.00621 -0.00325 0.00006 -0.01025 142 6PX -0.00157 0.00669 -0.01311 -0.03746 0.00029 143 6PY 0.00277 -0.01316 0.02308 -0.02265 0.00052 144 6PZ -0.00576 0.04635 -0.02988 -0.00110 -0.02298 145 7D 0 -0.00001 0.00017 0.00115 0.00003 0.00088 146 7D+1 -0.00007 -0.00124 -0.00349 0.00053 -0.00759 147 7D-1 0.00011 0.00196 0.00549 0.00033 0.01204 148 7D+2 -0.00005 -0.00064 -0.00163 -0.00053 -0.00397 149 7D-2 -0.00010 -0.00134 -0.00346 0.00027 -0.00834 150 8D 0 0.00015 0.00056 0.00050 0.00001 0.00022 151 8D+1 0.00020 -0.00041 -0.00159 0.00014 -0.00298 152 8D-1 -0.00030 0.00064 0.00251 0.00010 0.00471 153 8D+2 0.00022 -0.00009 -0.00054 -0.00063 -0.00166 154 8D-2 0.00044 -0.00021 -0.00120 0.00033 -0.00345 155 8 C 1S -0.11677 -0.16303 -0.03133 0.00003 -0.08144 156 2S 0.24149 0.38986 0.05174 -0.00005 0.15500 157 3S 0.06270 0.28178 0.11220 -0.00014 0.24867 158 4PX 0.12688 0.01263 -0.09463 0.34620 -0.23647 159 4PY -0.20754 -0.02178 0.13577 0.20982 0.39542 160 4PZ -0.03091 0.01800 0.39745 0.01071 -0.10613 161 5PX -0.02601 -0.03778 -0.00180 0.05285 -0.00807 162 5PY 0.04278 0.06167 -0.00001 0.03208 0.01467 163 5PZ 0.00192 0.01349 0.05760 0.00162 -0.02654 164 9 O 1S -0.21146 0.12616 -0.01722 0.00002 -0.02494 165 2S 0.46606 -0.28541 0.03170 -0.00003 0.04047 166 3S 0.31123 -0.37758 0.08412 -0.00006 0.14193 167 4PX -0.11876 -0.22451 0.12146 0.53276 0.17548 168 4PY 0.19433 0.36662 -0.22674 0.32344 -0.27181 169 4PZ 0.02763 0.06625 0.52334 0.01656 -0.33211 170 5PX 0.00888 -0.05627 0.02832 0.20396 0.03095 171 5PY -0.01460 0.09183 -0.05679 0.12380 -0.04453 172 5PZ -0.00067 0.01734 0.19954 0.00634 -0.12316 36 37 38 39 40 O O O O O EIGENVALUES -- -0.36104 -0.33859 -0.33821 -0.32763 -0.32755 1 1 Cu 1S -0.01339 -0.00152 -0.00046 -0.00254 0.00116 2 2S 0.17200 0.07020 0.05438 -0.04669 0.04312 3 3S -0.00655 0.09815 0.10139 -0.17816 0.12308 4 4PX -0.01334 0.00066 -0.01041 -0.00098 -0.01338 5 4PY -0.02737 -0.00972 -0.00909 0.00134 -0.00301 6 4PZ 0.02153 0.01461 0.00496 -0.01180 0.00056 7 5PX 0.00898 0.03056 0.01264 -0.02587 0.03067 8 5PY 0.02692 0.04659 0.04552 -0.02064 0.02058 9 5PZ -0.01883 -0.03156 -0.04343 0.04779 -0.02751 10 6PX -0.00722 0.02081 -0.03366 -0.01827 -0.01529 11 6PY -0.02946 -0.01169 -0.01734 -0.01784 0.00407 12 6PZ 0.01174 0.03720 -0.00203 0.00300 -0.01712 13 7D 0 -0.00197 0.09129 -0.02571 -0.13418 -0.10213 14 7D+1 -0.03468 -0.00414 -0.06632 0.02767 -0.11498 15 7D-1 -0.11752 -0.10779 -0.04809 0.02695 0.01392 16 7D+2 -0.03951 -0.03217 0.01977 0.02220 0.09036 17 7D-2 0.07671 -0.00670 0.09625 0.03749 0.06400 18 8D 0 -0.00072 0.03046 -0.00847 -0.04766 -0.03814 19 8D+1 -0.01179 -0.00171 -0.02231 0.00946 -0.04142 20 8D-1 -0.04162 -0.04009 -0.02103 0.00881 0.00355 21 8D+2 -0.01394 -0.01207 0.00491 0.00898 0.03242 22 8D-2 0.02701 0.00077 0.03493 0.01235 0.02161 23 2 Cu 1S -0.01299 -0.00136 0.00192 0.00167 -0.00269 24 2S 0.16433 0.10345 -0.06677 0.00454 -0.04302 25 3S -0.02908 0.14928 -0.06739 0.05977 -0.17386 26 4PX -0.03127 -0.02109 0.01351 -0.00183 0.00829 27 4PY -0.00922 -0.00054 0.00930 -0.00536 -0.00384 28 4PZ -0.01297 -0.00825 -0.00488 0.00939 0.00150 29 5PX 0.01846 0.08331 -0.03845 0.01471 -0.05448 30 5PY 0.01189 0.02472 -0.00289 0.00269 0.00931 31 5PZ 0.00975 0.02187 -0.02131 -0.01302 -0.00847 32 6PX -0.02518 -0.02990 0.01772 0.01044 -0.01847 33 6PY -0.00735 0.01401 0.03061 -0.00449 -0.01064 34 6PZ -0.01101 -0.01572 -0.03066 0.02597 -0.00822 35 7D 0 -0.03467 -0.04395 0.06997 -0.01679 0.04854 36 7D+1 0.08746 0.07714 0.07813 -0.15750 -0.01749 37 7D-1 0.00264 -0.02181 0.00651 0.01983 -0.00463 38 7D+2 0.08148 0.12470 -0.05492 0.03712 -0.04807 39 7D-2 0.06440 -0.01221 -0.10533 0.08796 0.08024 40 8D 0 -0.01219 -0.01623 0.02332 -0.00380 0.01751 41 8D+1 0.03059 0.02945 0.02503 -0.05738 -0.00749 42 8D-1 0.00071 -0.00765 0.00231 0.00760 -0.00201 43 8D+2 0.02837 0.04516 -0.02013 0.01371 -0.01608 44 8D-2 0.02279 -0.00025 -0.03694 0.03182 0.02899 45 3 Cu 1S -0.01282 0.00017 0.00249 0.00066 0.00334 46 2S 0.15908 -0.01521 -0.13673 0.00388 0.03173 47 3S -0.04383 -0.02182 -0.17064 0.02792 0.16704 48 4PX -0.00657 0.01173 0.00653 0.00825 -0.00515 49 4PY 0.01841 0.00351 -0.02005 0.00571 0.00594 50 4PZ -0.02747 0.00344 0.01848 0.00160 0.00066 51 5PX 0.00008 0.00676 -0.02515 -0.01091 0.02289 52 5PY -0.00452 0.01317 0.06214 -0.01418 -0.03963 53 5PZ 0.01733 -0.00812 -0.07548 -0.00046 0.01531 54 6PX -0.00844 0.04597 0.00660 0.01404 -0.00024 55 6PY 0.01975 0.01995 -0.02907 0.00502 -0.01189 56 6PZ -0.01829 0.00698 0.01506 0.00863 0.03276 57 7D 0 0.06433 -0.01819 0.01678 -0.02583 -0.06269 58 7D+1 0.04315 -0.10695 -0.05174 -0.06785 0.01008 59 7D-1 -0.10837 -0.02192 0.13867 -0.01136 0.00909 60 7D+2 -0.01684 -0.08397 0.06834 -0.13880 -0.02419 61 7D-2 -0.00436 0.08248 0.04322 0.08465 -0.08734 62 8D 0 0.02230 -0.00638 0.00268 -0.00892 -0.02163 63 8D+1 0.01510 -0.03571 -0.01946 -0.02359 0.00283 64 8D-1 -0.03783 -0.00632 0.05147 -0.00303 0.00428 65 8D+2 -0.00579 -0.02894 0.02349 -0.05161 -0.00767 66 8D-2 -0.00140 0.02813 0.01396 0.03167 -0.03093 67 4 Cu 1S -0.01303 0.00165 0.00159 -0.00248 -0.00185 68 2S 0.16557 -0.11081 -0.04012 -0.02097 -0.04137 69 3S -0.02445 -0.15702 -0.02898 -0.12028 -0.14556 70 4PX 0.02724 -0.01610 -0.01036 -0.00452 -0.00058 71 4PY 0.02185 -0.01757 -0.00099 -0.00095 -0.00981 72 4PZ -0.00607 0.00205 -0.00864 -0.00941 0.00409 73 5PX -0.02297 0.07362 0.00962 0.01677 0.02140 74 5PY -0.01071 0.06057 0.01755 0.02793 0.04558 75 5PZ 0.00490 -0.00706 -0.01276 0.01404 -0.00487 76 6PX 0.02288 -0.01567 -0.02589 0.01188 0.01556 77 6PY 0.01625 -0.03080 0.01295 0.01671 0.00425 78 6PZ -0.00674 0.00217 -0.03751 -0.02410 0.00656 79 7D 0 -0.05712 0.06417 0.02116 -0.00983 0.06228 80 7D+1 -0.01994 -0.01303 -0.08555 -0.07867 0.04394 81 7D-1 -0.04600 0.01995 -0.08136 -0.13668 0.04530 82 7D+2 0.03042 0.03510 -0.08209 -0.03587 0.10853 83 7D-2 0.11566 -0.13548 -0.03702 -0.03916 -0.00729 84 8D 0 -0.02000 0.02377 0.00677 -0.00544 0.02376 85 8D+1 -0.00674 -0.00417 -0.02854 -0.02729 0.01638 86 8D-1 -0.01627 0.00898 -0.02702 -0.04922 0.01738 87 8D+2 0.01096 0.00929 -0.02773 -0.01306 0.03867 88 8D-2 0.04048 -0.05115 -0.01346 -0.01413 -0.00177 89 5 Cu 1S -0.01342 0.00116 -0.00088 0.00274 0.00020 90 2S 0.17253 -0.05025 0.06775 0.06295 0.02054 91 3S -0.00509 -0.06915 0.11909 0.21607 0.04556 92 4PX 0.02577 -0.00153 0.01298 0.00257 0.00936 93 4PY -0.00681 0.00781 0.00102 0.00104 0.00972 94 4PZ 0.02633 -0.01206 0.01065 0.01236 -0.00157 95 5PX -0.02410 0.03832 -0.04661 -0.03258 -0.01669 96 5PY 0.00946 0.00076 0.02028 -0.00779 -0.00822 97 5PZ -0.02322 0.02680 -0.05637 -0.06491 -0.01123 98 6PX 0.02627 0.01584 0.03071 -0.01823 0.01587 99 6PY -0.01255 0.03135 0.01030 0.00235 0.01793 100 6PZ 0.01555 -0.03044 0.01304 -0.01249 -0.01078 101 7D 0 0.03078 -0.09453 0.02892 0.10591 -0.10645 102 7D+1 0.12524 -0.03092 0.10891 0.02329 0.08976 103 7D-1 -0.04969 0.08244 0.01041 0.03223 0.13127 104 7D+2 0.05879 0.03074 0.06335 -0.01570 0.03357 105 7D-2 -0.01281 0.03599 0.03189 -0.00076 0.08615 106 8D 0 0.01069 -0.03203 0.01079 0.03699 -0.03897 107 8D+1 0.04410 -0.01322 0.04171 0.00840 0.03363 108 8D-1 -0.01795 0.02908 -0.00011 0.01126 0.04673 109 8D+2 0.02070 0.00849 0.02378 -0.00480 0.00994 110 8D-2 -0.00445 0.01196 0.01025 -0.00098 0.03057 111 6 Cu 1S -0.00643 -0.00001 0.00045 0.00003 0.00005 112 2S 0.17709 -0.00057 -0.03138 0.00320 0.00957 113 3S 0.15725 0.00017 0.00432 -0.00010 -0.00043 114 4PX 0.03092 0.01597 -0.00945 -0.00315 -0.00040 115 4PY -0.04897 0.01007 0.01523 -0.00060 0.00311 116 4PZ -0.04021 0.00016 -0.01047 -0.00100 -0.00227 117 5PX -0.07443 0.01638 0.00384 0.00059 0.00089 118 5PY 0.11835 0.01007 -0.00614 -0.00019 -0.00099 119 5PZ 0.09036 0.00012 -0.02323 -0.00045 -0.00079 120 6PX -0.01093 0.00676 -0.01032 -0.01664 0.00235 121 6PY 0.01868 0.00469 0.01703 -0.00623 0.01124 122 6PZ -0.01892 -0.00002 -0.00636 -0.00639 -0.01543 123 7D 0 0.06727 -0.00346 0.50094 0.20881 0.44418 124 7D+1 -0.01863 -0.28379 -0.20357 0.58084 -0.05946 125 7D-1 0.02715 -0.17923 0.32162 0.18369 -0.43142 126 7D+2 0.02132 0.54473 0.12767 0.23805 -0.33186 127 7D-2 0.03973 -0.26520 0.25627 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0.08053 0.06324 -0.04388 -0.00639 -0.03229 148 7D+2 -0.03111 -0.14066 -0.04048 0.03819 -0.04186 149 7D-2 -0.06478 0.06787 -0.08274 -0.04165 -0.03023 150 8D 0 -0.00227 0.00041 -0.05290 -0.00139 -0.00363 151 8D+1 -0.01748 0.03282 0.00886 0.00596 0.00451 152 8D-1 0.02787 0.02091 -0.01350 -0.00229 -0.01056 153 8D+2 -0.01075 -0.04653 -0.01373 0.01238 -0.01338 154 8D-2 -0.02242 0.02244 -0.02808 -0.01336 -0.00948 155 8 C 1S 0.03431 -0.00006 -0.00509 -0.00053 -0.00149 156 2S -0.07749 0.00021 0.01480 0.00101 0.00284 157 3S -0.08576 0.00002 0.00919 0.00258 0.00752 158 4PX 0.06227 0.02314 -0.01091 0.00106 -0.00362 159 4PY -0.10189 0.01436 0.01796 0.00284 0.00402 160 4PZ -0.01446 0.00008 -0.02566 0.00094 0.00220 161 5PX 0.00994 0.02134 -0.00662 0.00163 -0.00035 162 5PY -0.01610 0.01329 0.01102 0.00063 -0.00121 163 5PZ -0.00703 0.00003 -0.02476 0.00064 0.00167 164 9 O 1S -0.00186 -0.00001 -0.00001 0.00012 0.00033 165 2S 0.01106 0.00001 -0.00075 -0.00047 -0.00126 166 3S -0.01600 0.00019 0.00761 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0.01000 93 4PY -0.00726 0.01058 -0.00964 -0.00067 0.00682 94 4PZ -0.01216 0.00011 0.00520 -0.00242 -0.00519 95 5PX 0.01444 0.03881 -0.02895 0.01620 -0.02116 96 5PY 0.00144 -0.01460 0.00302 -0.00853 -0.00411 97 5PZ 0.03019 0.04382 -0.01712 0.01617 0.00256 98 6PX 0.01195 -0.00790 -0.00983 -0.02490 0.01274 99 6PY -0.01954 0.00776 -0.01913 -0.02206 0.01979 100 6PZ -0.00588 0.01496 0.02715 -0.03284 -0.01727 101 7D 0 -0.08949 0.27488 -0.07494 0.04712 -0.14180 102 7D+1 0.04407 0.09559 0.06568 -0.12901 -0.05905 103 7D-1 -0.08324 0.16406 -0.16493 0.03945 0.14721 104 7D+2 0.04225 -0.05544 -0.10118 -0.18967 0.31772 105 7D-2 -0.08762 0.10320 -0.11915 0.07766 0.09263 106 8D 0 -0.02974 0.09022 -0.02528 0.01430 -0.04683 107 8D+1 0.01694 0.03064 0.02482 -0.04607 -0.02231 108 8D-1 -0.02863 0.05519 -0.05472 0.01415 0.05036 109 8D+2 0.01498 -0.01833 -0.03321 -0.06570 0.11244 110 8D-2 -0.02907 0.03424 -0.03995 0.02766 0.03158 111 6 Cu 1S 0.00375 0.00212 0.00005 -0.00233 -0.00052 112 2S -0.18080 0.05325 0.00010 -0.01469 -0.00547 113 3S -0.02931 0.37265 0.00473 -0.25019 -0.05974 114 4PX 0.00719 0.00743 -0.00109 -0.00607 -0.00126 115 4PY -0.01178 -0.01188 -0.00090 0.00957 0.00179 116 4PZ -0.00060 -0.00759 -0.00013 0.00728 0.00169 117 5PX 0.00207 -0.08628 -0.05998 0.08684 0.01696 118 5PY -0.00266 0.13566 -0.03352 -0.14295 -0.03008 119 5PZ -0.00618 0.14743 -0.00044 -0.03430 -0.01401 120 6PX -0.02048 0.00184 0.00852 -0.00484 -0.00016 121 6PY 0.03272 -0.00421 0.00502 0.00880 -0.00659 122 6PZ 0.02274 0.01284 0.00069 -0.02345 0.00625 123 7D 0 -0.02224 0.13764 -0.01033 0.21917 -0.07868 124 7D+1 -0.25223 -0.04867 -0.16873 -0.01320 -0.00028 125 7D-1 0.39266 0.08004 -0.10663 0.01223 0.07659 126 7D+2 -0.19080 0.02536 0.19441 0.06149 0.07566 127 7D-2 -0.38945 0.04227 -0.09579 0.10568 0.08589 128 8D 0 -0.00852 0.04591 -0.00335 0.07119 -0.02474 129 8D+1 -0.08266 -0.01658 -0.05499 -0.00385 -0.00004 130 8D-1 0.12884 0.02715 -0.03478 0.00321 0.02402 131 8D+2 -0.06272 0.00842 0.06426 0.02050 0.02406 132 8D-2 -0.12800 0.01408 -0.03170 0.03538 0.02730 133 7 Cu 1S 0.00492 0.00201 0.00003 -0.00195 -0.00041 134 2S 0.05798 -0.12633 -0.00102 0.06787 0.01804 135 3S 0.27537 -0.01484 0.00133 -0.04942 -0.00685 136 4PX -0.00308 0.00750 -0.02338 0.00525 -0.00020 137 4PY 0.00474 -0.01245 -0.01413 -0.01016 0.00006 138 4PZ 0.01026 0.00899 -0.00074 0.01873 0.00097 139 5PX 0.04674 -0.02317 0.02461 -0.00193 0.00162 140 5PY -0.07415 0.03715 0.01490 0.00509 -0.00369 141 5PZ -0.06066 0.01124 0.00081 -0.02572 -0.00135 142 6PX 0.00779 0.01760 -0.07063 0.01437 -0.00099 143 6PY -0.01258 -0.02869 -0.04278 -0.02865 0.00432 144 6PZ 0.00683 0.02051 -0.00267 0.07151 0.00048 145 7D 0 0.06061 0.26118 -0.00868 0.29090 0.23632 146 7D+1 -0.03832 -0.17824 -0.21873 0.00289 0.02705 147 7D-1 0.05909 0.25766 -0.14556 -0.03366 -0.25734 148 7D+2 -0.00145 -0.02752 0.36684 0.15628 -0.17857 149 7D-2 -0.00437 -0.05144 -0.19180 0.30384 -0.18462 150 8D 0 0.02033 0.08689 -0.00282 0.09608 0.08077 151 8D+1 -0.01625 -0.05928 -0.07219 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-0.00149 -0.01542 -0.00443 -0.00084 172 5PZ 0.00385 0.01298 -0.00085 0.02538 0.00447 46 47 48 49 50 O O O O O EIGENVALUES -- -0.30733 -0.30145 -0.29199 -0.29180 -0.29149 1 1 Cu 1S 0.00297 -0.00191 0.00051 -0.00077 -0.00047 2 2S 0.03383 -0.03262 -0.05438 0.05235 -0.00514 3 3S 0.12075 -0.09579 -0.07516 0.02488 -0.10351 4 4PX 0.00389 0.00155 -0.00707 -0.00842 0.00539 5 4PY -0.00788 -0.00143 0.00335 -0.00316 0.00228 6 4PZ 0.00225 -0.00292 -0.00925 0.00042 0.00611 7 5PX -0.00537 -0.00363 0.02217 0.02542 -0.01940 8 5PY 0.04504 -0.01402 -0.02069 0.01241 -0.02280 9 5PZ -0.00873 0.01022 0.02874 0.00184 -0.01249 10 6PX 0.01103 -0.00573 -0.02228 -0.00865 0.00496 11 6PY 0.00554 -0.01973 -0.00163 -0.01292 -0.02396 12 6PZ -0.00234 0.01058 -0.00478 -0.00604 0.02487 13 7D 0 -0.03999 -0.04675 -0.10198 0.10373 0.20561 14 7D+1 0.06715 -0.22173 -0.19039 0.24524 0.18571 15 7D-1 -0.09250 0.04629 0.00431 0.03442 -0.10049 16 7D+2 -0.09597 -0.23737 -0.08638 0.18610 0.08005 17 7D-2 -0.09922 -0.06709 0.08186 0.08664 0.00749 18 8D 0 -0.01419 -0.01511 -0.03251 0.03712 0.06892 19 8D+1 0.02145 -0.07614 -0.06302 0.08247 0.06048 20 8D-1 -0.03271 0.01574 0.00017 0.01206 -0.03285 21 8D+2 -0.03305 -0.08018 -0.02965 0.06068 0.02622 22 8D-2 -0.03527 -0.02280 0.02640 0.02922 0.00444 23 2 Cu 1S -0.00181 -0.00173 0.00111 0.00025 -0.00026 24 2S -0.03420 -0.03359 -0.05921 -0.02919 0.04500 25 3S -0.09843 -0.08100 0.00657 -0.04492 0.08639 26 4PX 0.00372 0.00291 0.00675 0.00361 -0.00333 27 4PY 0.01194 -0.00252 -0.00353 0.01053 -0.00009 28 4PZ -0.00392 -0.00224 0.00379 -0.00947 -0.00379 29 5PX -0.02425 -0.01026 -0.01460 -0.01321 0.01787 30 5PY -0.02857 -0.00769 0.01073 -0.03619 0.00849 31 5PZ -0.01041 -0.00547 -0.01183 0.02389 0.01731 32 6PX -0.00398 -0.01828 0.01269 -0.00289 0.01268 33 6PY 0.02150 -0.00962 0.00972 0.02142 0.00989 34 6PZ -0.01685 -0.00993 0.02023 -0.02333 -0.00481 35 7D 0 0.22261 -0.05396 -0.11462 -0.02040 -0.00534 36 7D+1 0.08469 0.04573 0.09053 0.29505 0.17348 37 7D-1 -0.02348 0.35621 0.40895 0.03070 -0.11644 38 7D+2 0.16153 0.01846 0.03440 -0.00579 -0.16278 39 7D-2 -0.22613 -0.00905 -0.01438 -0.22360 -0.20201 40 8D 0 0.07998 -0.01912 -0.03844 -0.00983 -0.00414 41 8D+1 0.02778 0.01489 0.03158 0.09751 0.05851 42 8D-1 -0.00846 0.12076 0.13555 0.01015 -0.03926 43 8D+2 0.05620 0.00738 0.01010 -0.00290 -0.05675 44 8D-2 -0.07655 -0.00395 -0.00526 -0.07299 -0.06813 45 3 Cu 1S -0.00030 -0.00159 -0.00011 0.00122 -0.00015 46 2S -0.00872 -0.03411 0.00481 -0.05982 0.01048 47 3S -0.02017 -0.07573 -0.00520 0.02518 0.00480 48 4PX -0.01243 0.00224 -0.01408 0.00201 0.00319 49 4PY -0.00644 -0.00393 -0.00670 -0.00673 0.00271 50 4PZ 0.00000 -0.00186 -0.00184 0.00301 -0.00029 51 5PX 0.01122 0.00002 0.04201 -0.00392 -0.01215 52 5PY 0.00913 0.00348 0.02061 0.01429 -0.00913 53 5PZ -0.00548 -0.01193 0.00451 -0.00324 0.00101 54 6PX -0.03094 -0.00245 -0.02987 -0.00288 0.00350 55 6PY -0.01485 0.00957 -0.01495 -0.00713 0.00168 56 6PZ -0.00363 -0.02128 -0.00684 0.02901 -0.00211 57 7D 0 0.05835 0.26196 -0.00098 0.32333 -0.04114 58 7D+1 0.37443 -0.11501 0.18101 -0.10780 0.02407 59 7D-1 0.18429 0.05966 0.03935 0.04095 -0.02790 60 7D+2 0.02165 -0.11902 0.29500 -0.11044 0.26721 61 7D-2 -0.09023 -0.19794 -0.18381 -0.30556 -0.12808 62 8D 0 0.02052 0.08768 -0.00103 0.10783 -0.01406 63 8D+1 0.13031 -0.03874 0.05698 -0.03639 0.00667 64 8D-1 0.06484 0.01982 0.01130 0.01349 -0.01043 65 8D+2 0.00450 -0.04128 0.09833 -0.03550 0.09242 66 8D-2 -0.02885 -0.06837 -0.06097 -0.10082 -0.04492 67 4 Cu 1S 0.00202 -0.00178 -0.00110 0.00009 0.00016 68 2S 0.03118 -0.03326 0.06513 -0.02741 -0.03867 69 3S 0.10212 -0.08384 0.00939 -0.06569 -0.08340 70 4PX 0.01042 0.00076 0.00320 -0.00872 -0.00018 71 4PY -0.00342 -0.00344 0.00704 0.00450 -0.00419 72 4PZ 0.00438 -0.00244 -0.00095 -0.01018 0.00644 73 5PX -0.03999 0.01359 -0.00860 0.03540 0.01222 74 5PY -0.00263 0.00517 -0.01702 -0.01247 0.01541 75 5PZ 0.00523 -0.00244 0.00557 0.02645 -0.02278 76 6PX 0.00976 0.01967 0.01867 -0.00381 0.01918 77 6PY -0.01444 0.01036 0.00274 0.01850 0.00123 78 6PZ 0.01393 -0.00547 -0.01150 -0.02424 0.01432 79 7D 0 -0.16477 -0.12293 0.22537 -0.06432 0.06460 80 7D+1 0.10524 -0.27974 0.36017 -0.12491 0.09545 81 7D-1 0.06526 0.17761 -0.14276 -0.17791 0.25694 82 7D+2 0.23868 0.05205 -0.01891 -0.15512 0.18044 83 7D-2 -0.06632 0.01216 -0.02681 0.01200 0.17975 84 8D 0 -0.06017 -0.04223 0.07629 -0.02315 0.02420 85 8D+1 0.03598 -0.09447 0.11995 -0.04012 0.03077 86 8D-1 0.02226 0.06107 -0.04603 -0.05793 0.08617 87 8D+2 0.08156 0.01649 -0.00646 -0.05016 0.05955 88 8D-2 -0.02362 0.00463 -0.00777 0.00427 0.06241 89 5 Cu 1S -0.00322 -0.00195 -0.00037 -0.00069 0.00069 90 2S -0.03685 -0.03238 0.04430 0.06141 -0.01235 91 3S -0.12532 -0.09755 0.06597 0.06429 0.09346 92 4PX -0.00476 0.00075 -0.00400 0.00761 0.00340 93 4PY 0.00715 -0.00183 -0.00918 0.00395 0.00193 94 4PZ -0.00139 -0.00290 0.00759 0.00254 -0.00534 95 5PX 0.03442 0.01215 0.00528 -0.03071 -0.02289 96 5PY -0.03002 -0.00538 0.03390 -0.00761 0.00045 97 5PZ 0.01022 0.01230 -0.02494 -0.00741 0.00769 98 6PX 0.01105 0.01754 -0.01587 0.00924 -0.01800 99 6PY 0.00419 -0.00778 -0.01770 0.00168 0.01853 100 6PZ 0.00940 0.01310 0.00138 -0.00899 -0.02406 101 7D 0 0.06575 0.01421 0.02066 -0.00891 -0.12331 102 7D+1 -0.00989 0.06796 -0.09880 -0.16102 0.10312 103 7D-1 0.09342 0.15938 -0.11772 -0.12222 0.24163 104 7D+2 0.04516 0.02850 -0.10724 0.01316 0.03341 105 7D-2 0.09115 -0.28411 0.06383 0.22406 -0.22315 106 8D 0 0.02227 0.00574 0.00508 -0.00150 -0.04220 107 8D+1 -0.00441 0.02324 -0.03258 -0.05534 0.03408 108 8D-1 0.03126 0.05476 -0.03760 -0.04167 0.07949 109 8D+2 0.01637 0.00953 -0.03540 0.00499 0.00933 110 8D-2 0.03206 -0.09626 0.02238 0.07402 -0.07414 111 6 Cu 1S 0.00015 0.00030 0.00001 0.00048 -0.00006 112 2S 0.00064 0.01863 -0.00020 -0.00596 0.00093 113 3S 0.01403 0.11419 -0.00051 -0.00595 0.00105 114 4PX -0.00016 -0.00512 -0.00822 -0.00188 0.00287 115 4PY -0.00075 0.00818 -0.00491 0.00433 0.00088 116 4PZ -0.00050 0.00395 -0.00038 -0.00786 0.00140 117 5PX -0.01183 0.03689 0.00608 0.00162 0.00433 118 5PY 0.00435 -0.05891 0.00377 -0.00306 0.00165 119 5PZ 0.00134 -0.03102 0.00034 0.00682 0.00017 120 6PX -0.00963 -0.00394 -0.01929 -0.00649 0.00413 121 6PY -0.00423 0.00591 -0.01124 0.01228 0.00009 122 6PZ -0.00165 0.00808 -0.00105 -0.01470 0.00207 123 7D 0 0.01989 0.01225 0.00318 -0.00636 0.05288 124 7D+1 0.11204 0.06869 0.03250 0.05845 0.19991 125 7D-1 0.03949 -0.10842 0.01215 -0.06681 0.09721 126 7D+2 0.07733 0.04667 0.12480 -0.05636 0.08356 127 7D-2 -0.08456 0.09616 -0.07103 -0.11698 -0.07665 128 8D 0 0.00613 0.00404 0.00079 -0.00469 0.01584 129 8D+1 0.03514 0.02189 0.00778 0.01740 0.05841 130 8D-1 0.01233 -0.03456 0.00243 -0.01978 0.02862 131 8D+2 0.02474 0.01490 0.03876 -0.01744 0.02348 132 8D-2 -0.02703 0.03071 -0.02193 -0.03570 -0.02146 133 7 Cu 1S 0.00012 0.00364 -0.00002 -0.00001 0.00002 134 2S -0.00381 0.08839 -0.00013 -0.00174 0.00042 135 3S 0.00331 0.35342 -0.00114 -0.00298 0.00201 136 4PX -0.00194 -0.00234 0.00181 0.00045 -0.00054 137 4PY -0.00053 0.00370 0.00107 -0.00100 -0.00011 138 4PZ -0.00096 0.00520 0.00007 0.00169 -0.00026 139 5PX -0.00020 0.03210 -0.03199 -0.00813 0.01546 140 5PY -0.00005 -0.05084 -0.01888 0.01859 0.00438 141 5PZ 0.00072 -0.05033 -0.00125 -0.02926 0.00587 142 6PX -0.00067 0.02289 0.03626 0.00933 -0.01456 143 6PY 0.00008 -0.03587 0.02161 -0.02060 -0.00430 144 6PZ -0.00233 -0.02372 0.00180 0.03224 -0.00643 145 7D 0 -0.09363 0.02118 0.01361 0.19410 0.02023 146 7D+1 -0.33088 0.07666 0.16769 0.01679 0.19311 147 7D-1 -0.12662 -0.12107 0.10007 -0.02162 0.06760 148 7D+2 -0.16018 0.05058 -0.01808 -0.01200 0.16840 149 7D-2 0.16129 0.10651 0.00007 -0.06136 -0.14831 150 8D 0 -0.03187 0.00719 0.00456 0.06563 0.00669 151 8D+1 -0.11321 0.02558 0.05654 0.00549 0.06467 152 8D-1 -0.04324 -0.04042 0.03377 -0.00715 0.02259 153 8D+2 -0.05527 0.01688 -0.00635 -0.00405 0.05659 154 8D-2 0.05568 0.03558 0.00019 -0.02063 -0.04980 155 8 C 1S 0.00042 -0.00844 0.00004 0.00123 -0.00023 156 2S -0.00134 0.02511 -0.00012 -0.00278 0.00057 157 3S 0.00150 -0.01413 0.00005 -0.00306 0.00010 158 4PX 0.00314 -0.01528 0.01026 0.00217 -0.00155 159 4PY -0.00002 0.02530 0.00604 -0.00489 0.00013 160 4PZ 0.00122 -0.00157 0.00056 0.01200 -0.00141 161 5PX 0.00477 0.00138 0.00694 0.00255 -0.00316 162 5PY 0.00325 -0.00237 0.00400 -0.00491 -0.00077 163 5PZ 0.00278 0.00309 0.00039 0.00479 -0.00105 164 9 O 1S -0.00006 0.00165 0.00000 -0.00008 0.00002 165 2S 0.00023 -0.00643 0.00003 0.00028 -0.00013 166 3S -0.00016 0.00183 -0.00009 -0.00133 0.00037 167 4PX -0.00680 0.01174 -0.02037 -0.00059 0.00167 168 4PY -0.00284 -0.01954 -0.01223 0.00332 0.00038 169 4PZ -0.00322 0.00137 -0.00116 -0.02407 0.00260 170 5PX -0.00427 0.00067 -0.01146 -0.00007 0.00158 171 5PY -0.00236 -0.00109 -0.00693 0.00146 0.00086 172 5PZ -0.00221 -0.00184 -0.00065 -0.01260 0.00156 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29118 -0.27969 -0.27916 -0.27908 -0.27879 1 1 Cu 1S -0.00048 -0.00117 -0.00049 -0.00044 -0.00084 2 2S 0.02617 -0.01978 0.01591 -0.00126 -0.00220 3 3S -0.01992 -0.11270 0.00914 -0.02262 -0.05205 4 4PX -0.00738 0.00069 -0.00098 0.00499 0.00107 5 4PY -0.00132 0.00055 -0.00405 -0.00195 -0.00156 6 4PZ -0.00112 -0.00226 -0.00335 0.00013 -0.00176 7 5PX 0.01939 -0.01171 0.01322 -0.02469 -0.00157 8 5PY -0.00012 -0.00734 0.00525 -0.00356 -0.00205 9 5PZ 0.00437 0.02374 0.01011 -0.01177 0.01407 10 6PX -0.01894 -0.01609 0.01103 -0.00749 -0.00461 11 6PY -0.01544 -0.00138 0.01580 0.00889 0.00635 12 6PZ -0.00527 0.02949 -0.00541 -0.00668 0.01007 13 7D 0 -0.28643 0.08790 -0.04676 -0.27030 0.18168 14 7D+1 0.00488 -0.02552 0.18522 0.04330 0.14772 15 7D-1 -0.01014 -0.13566 0.19387 0.02234 0.23077 16 7D+2 0.35826 0.22320 -0.08226 0.10835 -0.06480 17 7D-2 0.09853 -0.01661 -0.16976 -0.18339 0.20467 18 8D 0 -0.09694 0.02738 -0.01711 -0.08999 0.06099 19 8D+1 0.00025 -0.00845 0.06273 0.01573 0.05070 20 8D-1 -0.00544 -0.04531 0.06555 0.00869 0.07775 21 8D+2 0.12063 0.07322 -0.02609 0.03590 -0.02275 22 8D-2 0.02988 -0.00603 -0.05792 -0.06098 0.06799 23 2 Cu 1S 0.00036 0.00067 -0.00049 -0.00082 0.00091 24 2S 0.00604 0.01531 0.00411 -0.00175 0.02357 25 3S 0.08912 0.06922 -0.02888 -0.03508 0.10261 26 4PX 0.00138 -0.00230 -0.00030 0.00236 -0.00268 27 4PY 0.00226 0.00069 0.00341 -0.00249 0.00183 28 4PZ -0.00560 0.00066 -0.00298 -0.00405 -0.00149 29 5PX 0.00576 0.01681 -0.01237 -0.00589 0.02382 30 5PY -0.00074 -0.00373 -0.01451 -0.00962 -0.00817 31 5PZ 0.02662 0.00274 0.02647 0.00424 0.00877 32 6PX 0.02236 0.01613 -0.01596 0.00894 0.02671 33 6PY 0.01526 -0.00875 -0.00352 0.00733 -0.01052 34 6PZ 0.00529 -0.00447 0.00890 0.01253 -0.00106 35 7D 0 0.07420 0.28298 0.11487 0.29294 -0.05776 36 7D+1 -0.07372 -0.05483 -0.18930 -0.11718 0.01031 37 7D-1 0.19379 0.14387 -0.04043 0.03575 0.17078 38 7D+2 0.02802 0.15128 0.27746 -0.25080 -0.16530 39 7D-2 0.03872 0.05351 0.04518 0.07201 0.03449 40 8D 0 0.02653 0.09448 0.03728 0.09851 -0.02049 41 8D+1 -0.02634 -0.01963 -0.06233 -0.03950 0.00364 42 8D-1 0.06424 0.04741 -0.01282 0.01119 0.05555 43 8D+2 0.00930 0.05197 0.09165 -0.08578 -0.05491 44 8D-2 0.01449 0.01829 0.01515 0.02387 0.01020 45 3 Cu 1S 0.00018 0.00011 0.00097 0.00017 -0.00097 46 2S -0.05167 0.00299 0.02338 0.00086 -0.01797 47 3S -0.12920 0.01155 0.08150 0.01301 -0.10359 48 4PX 0.00069 -0.00045 -0.00280 0.00461 0.00112 49 4PY -0.00105 0.00031 0.00486 0.00265 -0.00106 50 4PZ 0.00503 -0.00005 0.00136 0.00058 0.00146 51 5PX -0.00241 0.00800 0.00258 -0.02763 -0.01543 52 5PY 0.00776 0.00178 -0.00840 -0.01893 0.02352 53 5PZ -0.03439 0.00233 0.01512 -0.00297 -0.00772 54 6PX -0.00448 0.00175 0.00476 -0.00767 -0.01683 55 6PY 0.01477 -0.00214 -0.00640 -0.00939 0.03129 56 6PZ -0.01784 -0.00021 -0.01074 -0.00076 -0.00973 57 7D 0 0.02646 0.06743 -0.03189 0.02272 -0.23984 58 7D+1 0.03529 0.24332 0.04707 -0.05088 0.15955 59 7D-1 -0.10603 0.17092 -0.18308 -0.03279 -0.19970 60 7D+2 -0.04186 -0.28994 -0.15241 0.20480 -0.06578 61 7D-2 -0.05861 0.14199 -0.22675 -0.12180 -0.06240 62 8D 0 0.00911 0.02234 -0.01090 0.00751 -0.07784 63 8D+1 0.01213 0.08111 0.01636 -0.01598 0.05266 64 8D-1 -0.03637 0.05701 -0.06258 -0.01036 -0.06621 65 8D+2 -0.01435 -0.09802 -0.05179 0.06676 -0.02227 66 8D-2 -0.02037 0.04815 -0.07691 -0.03976 -0.02089 67 4 Cu 1S 0.00043 -0.00085 -0.00041 0.00062 0.00101 68 2S -0.00200 -0.01673 0.00598 -0.00650 0.02013 69 3S 0.07882 -0.08398 -0.01922 0.00873 0.09822 70 4PX -0.00186 -0.00081 -0.00197 -0.00187 -0.00030 71 4PY -0.00006 -0.00222 0.00270 0.00221 0.00357 72 4PZ -0.00525 -0.00134 -0.00309 0.00428 -0.00034 73 5PX -0.00517 0.00926 0.01302 -0.00644 -0.00879 74 5PY -0.00516 0.01869 -0.00324 0.00542 -0.02178 75 5PZ 0.02250 0.00365 0.02919 -0.00713 0.00378 76 6PX -0.02450 0.00249 0.00948 0.01501 -0.00215 77 6PY -0.01023 0.02194 0.00711 0.01055 -0.02359 78 6PZ 0.00130 0.00875 0.01098 -0.00878 -0.00620 79 7D 0 0.05775 -0.21730 0.22042 -0.26307 -0.18292 80 7D+1 -0.13945 0.18319 0.08081 0.07482 -0.07895 81 7D-1 0.19688 -0.08738 0.17387 -0.02888 0.04474 82 7D+2 0.08517 -0.05049 -0.05632 -0.18088 0.08070 83 7D-2 0.04630 -0.10528 0.24486 0.25963 -0.09760 84 8D 0 0.02187 -0.07316 0.07232 -0.08852 -0.06229 85 8D+1 -0.04565 0.05973 0.02654 0.02429 -0.02553 86 8D-1 0.06647 -0.03012 0.05783 -0.00885 0.01432 87 8D+2 0.02974 -0.01628 -0.01832 -0.06045 0.02531 88 8D-2 0.01594 -0.03648 0.08114 0.08869 -0.03249 89 5 Cu 1S -0.00040 0.00118 -0.00064 0.00062 -0.00054 90 2S 0.02304 0.02203 0.01325 -0.00048 0.00014 91 3S -0.01334 0.11801 -0.00641 0.03029 -0.03044 92 4PX 0.00602 0.00087 0.00435 0.00086 0.00131 93 4PY 0.00624 -0.00008 -0.00133 0.00546 -0.00033 94 4PZ -0.00061 0.00217 -0.00306 0.00077 -0.00140 95 5PX -0.01443 -0.00948 -0.01176 -0.01738 -0.00550 96 5PY -0.01831 -0.00353 -0.00769 -0.01975 -0.00615 97 5PZ 0.00326 -0.02624 0.01032 0.00332 0.01210 98 6PX 0.02316 -0.00642 -0.01707 0.00265 -0.00476 99 6PY 0.01060 -0.00963 0.00197 -0.01313 0.00224 100 6PZ -0.00303 -0.03379 -0.00482 0.00390 0.00700 101 7D 0 -0.27274 -0.14744 -0.12869 0.23819 0.13215 102 7D+1 0.13828 -0.09377 -0.25195 0.04789 -0.27491 103 7D-1 0.14279 0.02457 -0.04154 -0.05399 -0.04120 104 7D+2 -0.03791 0.07352 -0.09965 0.14216 0.31471 105 7D-2 0.32924 -0.21157 -0.07518 -0.04524 0.01112 106 8D 0 -0.09162 -0.04759 -0.04502 0.07989 0.04418 107 8D+1 0.04824 -0.03176 -0.08496 0.01796 -0.09287 108 8D-1 0.04785 0.00837 -0.01355 -0.01740 -0.01458 109 8D+2 -0.01652 0.02431 -0.03470 0.04679 0.10520 110 8D-2 0.10947 -0.06904 -0.02440 -0.01493 0.00304 111 6 Cu 1S 0.00012 -0.00006 -0.00054 0.00006 -0.00012 112 2S -0.00176 0.00099 0.01557 -0.00227 0.00556 113 3S -0.00091 0.00208 0.03201 -0.00462 0.01192 114 4PX -0.00017 0.00386 0.00660 -0.02185 0.00023 115 4PY 0.00163 0.00106 -0.01595 -0.01057 -0.00693 116 4PZ -0.00297 0.00120 0.01666 -0.00265 0.00545 117 5PX -0.00158 -0.01599 -0.02805 0.09165 -0.00060 118 5PY 0.00557 -0.00403 0.06744 0.04461 0.02831 119 5PZ -0.00254 -0.00488 -0.06937 0.01118 -0.02269 120 6PX -0.00167 0.00690 0.00757 -0.03650 -0.00135 121 6PY 0.00556 0.00225 -0.02100 -0.01896 -0.00972 122 6PZ -0.00548 0.00207 0.02649 -0.00444 0.00974 123 7D 0 -0.16949 -0.00017 0.24999 -0.05042 0.13537 124 7D+1 0.00312 -0.04550 -0.10301 -0.17327 -0.05801 125 7D-1 0.11590 -0.00104 0.13561 -0.13239 -0.00672 126 7D+2 0.08737 -0.06227 0.07768 0.22878 0.01533 127 7D-2 0.10455 0.05731 0.07671 -0.11641 -0.02751 128 8D 0 -0.05017 0.00073 0.07785 -0.01521 0.03969 129 8D+1 0.00119 -0.01112 -0.03132 -0.05277 -0.01768 130 8D-1 0.03339 0.00071 0.04031 -0.04061 -0.00040 131 8D+2 0.02475 -0.01783 0.02450 0.07178 0.00686 132 8D-2 0.02968 0.01624 0.02515 -0.03727 -0.00613 133 7 Cu 1S -0.00008 -0.00008 -0.00130 0.00020 -0.00052 134 2S -0.00150 0.00033 0.00542 -0.00075 0.00180 135 3S -0.00685 -0.00317 -0.05164 0.00802 -0.02075 136 4PX 0.00009 -0.00105 -0.00194 0.01094 0.00051 137 4PY -0.00037 -0.00032 0.00559 0.00572 0.00298 138 4PZ 0.00040 -0.00049 -0.00926 0.00158 -0.00357 139 5PX -0.00240 0.00596 0.00413 -0.05578 -0.00490 140 5PY 0.01145 0.00271 -0.01983 -0.03107 -0.01163 141 5PZ -0.01286 0.00322 0.05735 -0.00955 0.02183 142 6PX 0.00169 -0.00317 -0.00387 0.00949 -0.00072 143 6PY -0.01037 -0.00096 0.00859 0.00427 0.00374 144 6PZ 0.01541 -0.00058 -0.00278 0.00046 -0.00065 145 7D 0 -0.10327 0.08030 0.16811 0.01535 -0.16018 146 7D+1 -0.03127 0.29700 0.00579 -0.03200 -0.00560 147 7D-1 0.16355 0.10997 -0.11979 -0.04365 0.17068 148 7D+2 0.14705 0.15393 -0.01797 0.07575 0.19125 149 7D-2 0.16284 -0.16525 0.02248 -0.09388 0.20380 150 8D 0 -0.03454 0.02559 0.05373 0.00486 -0.05093 151 8D+1 -0.01052 0.09475 0.00287 -0.01054 -0.00147 152 8D-1 0.05494 0.03493 -0.03985 -0.01380 0.05380 153 8D+2 0.04946 0.04920 -0.00510 0.02427 0.06123 154 8D-2 0.05474 -0.05266 0.00845 -0.03022 0.06541 155 8 C 1S 0.00056 0.00018 0.00324 -0.00055 0.00142 156 2S -0.00161 -0.00048 -0.00769 0.00124 -0.00303 157 3S 0.00131 -0.00022 -0.00873 0.00186 -0.00542 158 4PX 0.00092 -0.00529 0.00644 0.03264 0.00611 159 4PY -0.00192 -0.00349 -0.00193 0.02103 0.00065 160 4PZ 0.00194 -0.00266 -0.03671 0.00559 -0.01196 161 5PX 0.00065 -0.00065 -0.00147 0.00583 0.00018 162 5PY -0.00306 -0.00009 0.00337 0.00289 0.00221 163 5PZ 0.00348 0.00004 -0.00206 0.00060 -0.00203 164 9 O 1S -0.00006 -0.00003 -0.00079 0.00013 -0.00039 165 2S 0.00052 0.00019 0.00316 -0.00046 0.00119 166 3S -0.00161 -0.00006 0.00203 -0.00055 0.00200 167 4PX -0.00033 0.00775 -0.00909 -0.05371 -0.00933 168 4PY 0.00129 0.00510 0.00117 -0.03374 -0.00276 169 4PZ -0.00376 0.00395 0.05875 -0.00915 0.02044 170 5PX 0.00046 0.00342 -0.00366 -0.02792 -0.00467 171 5PY 0.00016 0.00218 -0.00080 -0.01723 -0.00212 172 5PZ -0.00274 0.00174 0.02936 -0.00475 0.01105 56 57 58 59 60 O O O O O EIGENVALUES -- -0.27315 -0.27269 -0.27143 -0.26812 -0.26729 1 1 Cu 1S 0.00140 -0.00235 -0.00208 0.00018 0.00091 2 2S -0.02466 0.05522 0.07023 0.00810 0.00664 3 3S 0.00538 0.00673 0.02646 0.05390 0.13262 4 4PX 0.00482 -0.00241 -0.00264 -0.00333 -0.00129 5 4PY 0.00121 -0.00398 -0.00763 -0.00259 -0.00528 6 4PZ -0.00391 0.00740 0.00442 0.00120 0.00566 7 5PX 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47 3S 0.03637 -0.00403 0.00233 0.14317 -0.00715 48 4PX -0.00246 0.00245 0.00340 -0.00048 -0.00069 49 4PY 0.00822 0.00007 -0.00581 0.00253 -0.00041 50 4PZ -0.01260 0.00137 -0.00293 -0.00745 0.00023 51 5PX 0.00143 0.01597 -0.01754 0.00648 -0.01061 52 5PY -0.00835 0.01081 0.02725 -0.02528 -0.00458 53 5PZ 0.03763 -0.00138 0.01490 0.05455 -0.00403 54 6PX -0.00322 0.00478 -0.00337 0.00372 -0.00743 55 6PY 0.00347 0.00233 0.00460 -0.01440 -0.00322 56 6PZ 0.01619 -0.00088 0.00449 0.02968 -0.00252 57 7D 0 -0.18432 0.00691 -0.10985 -0.26693 0.04680 58 7D+1 -0.22704 -0.03031 0.07717 -0.15226 0.16014 59 7D-1 0.42822 -0.04741 -0.11506 0.40255 0.06943 60 7D+2 -0.10264 -0.18590 -0.00458 0.00465 -0.04688 61 7D-2 -0.21551 0.16170 -0.02058 -0.06207 0.01059 62 8D 0 -0.06092 0.00230 -0.03565 -0.08586 0.01502 63 8D+1 -0.07430 -0.00990 0.02445 -0.04903 0.05143 64 8D-1 0.14055 -0.01555 -0.03611 0.12938 0.02231 65 8D+2 -0.03313 -0.06002 -0.00131 0.00104 -0.01512 66 8D-2 -0.07006 0.05233 -0.00662 -0.02060 0.00347 67 4 Cu 1S -0.00146 0.00306 -0.00055 -0.00070 0.00067 68 2S 0.04487 -0.08358 0.03453 -0.00840 0.00586 69 3S 0.01302 -0.02166 0.02312 -0.11402 0.09377 70 4PX 0.00620 -0.00848 0.00502 -0.00515 0.00637 71 4PY 0.00109 -0.01018 -0.00099 -0.00435 0.00040 72 4PZ 0.00052 0.00029 -0.00380 0.00202 -0.00089 73 5PX -0.00883 0.02247 -0.02585 0.04007 -0.03646 74 5PY -0.00060 0.01962 0.02102 0.02846 -0.01284 75 5PZ 0.01956 0.00205 0.01057 -0.00526 0.01576 76 6PX -0.00259 0.00690 -0.00843 0.02356 -0.01513 77 6PY 0.00035 0.00025 0.00466 0.01263 -0.01006 78 6PZ 0.00584 -0.00257 0.00436 -0.00286 0.00777 79 7D 0 0.04406 -0.02899 -0.13760 -0.20234 0.09975 80 7D+1 0.06571 0.14245 0.02883 0.01867 0.06211 81 7D-1 0.21771 -0.25852 -0.00388 -0.17354 0.20447 82 7D+2 -0.02796 0.15878 -0.23208 0.17172 -0.12759 83 7D-2 -0.05624 0.32519 -0.13322 0.31285 -0.19489 84 8D 0 0.01461 -0.00965 -0.04414 -0.06494 0.03170 85 8D+1 0.02142 0.04587 0.00924 0.00595 0.01940 86 8D-1 0.07091 -0.08432 -0.00046 -0.05642 0.06610 87 8D+2 -0.00969 0.05202 -0.07580 0.05556 -0.04147 88 8D-2 -0.01918 0.10623 -0.04398 0.10067 -0.06220 89 5 Cu 1S 0.00184 0.00179 -0.00227 0.00013 -0.00092 90 2S -0.03402 -0.04171 0.07407 0.00627 -0.00760 91 3S 0.00597 -0.00490 0.02666 0.03955 -0.13815 92 4PX -0.00333 -0.00195 0.00700 0.00320 -0.00432 93 4PY -0.00250 0.00129 -0.00235 0.00141 0.00226 94 4PZ -0.00615 -0.00633 0.00623 0.00120 -0.00656 95 5PX -0.00291 0.01475 -0.01758 -0.00887 0.03492 96 5PY 0.00717 0.01177 0.02103 0.00434 -0.01127 97 5PZ 0.02361 0.00578 -0.00367 -0.01496 0.04632 98 6PX 0.00017 0.00265 -0.00678 -0.00367 0.02319 99 6PY -0.00044 0.00072 0.00880 0.00585 -0.00911 100 6PZ 0.00244 -0.00009 0.00334 -0.00804 0.02228 101 7D 0 0.13661 -0.11245 0.04753 -0.07151 0.04518 102 7D+1 0.11998 0.21121 -0.08493 -0.10354 0.46006 103 7D-1 -0.14834 -0.02511 0.29429 0.13119 -0.22822 104 7D+2 0.05374 0.01694 -0.17267 -0.02695 0.13191 105 7D-2 0.11588 0.14712 0.00150 0.02982 -0.00049 106 8D 0 0.04471 -0.03635 0.01596 -0.02277 0.01426 107 8D+1 0.03930 0.06894 -0.02850 -0.03358 0.14843 108 8D-1 -0.04782 -0.00846 0.09650 0.04233 -0.07424 109 8D+2 0.01761 0.00566 -0.05671 -0.00904 0.04254 110 8D-2 0.03762 0.04742 0.00087 0.00946 -0.00032 111 6 Cu 1S 0.00129 -0.00001 0.00180 -0.00005 0.00003 112 2S 0.01431 -0.00010 0.01209 -0.00016 0.00010 113 3S 0.06902 -0.00123 0.11512 0.00152 0.00042 114 4PX 0.01357 0.02222 0.00745 0.00001 -0.00176 115 4PY -0.02224 0.01383 -0.01085 0.00046 -0.00121 116 4PZ 0.00722 0.00064 -0.02639 -0.00082 -0.00022 117 5PX -0.03941 -0.08584 -0.00889 -0.00065 0.01341 118 5PY 0.06504 -0.05322 0.01011 0.00117 0.00699 119 5PZ -0.03754 -0.00242 0.08526 0.00071 0.00175 120 6PX -0.01518 -0.02191 -0.00491 -0.00006 0.00015 121 6PY 0.02523 -0.01362 0.00700 -0.00030 0.00011 122 6PZ -0.01625 -0.00058 0.01899 -0.00005 0.00038 123 7D 0 -0.01323 0.00170 -0.06993 -0.03937 0.00882 124 7D+1 -0.10257 0.02261 -0.13845 -0.00605 0.03722 125 7D-1 0.16329 0.01178 0.22090 0.04502 0.01084 126 7D+2 -0.06135 -0.03657 -0.10993 0.03772 0.05507 127 7D-2 -0.12814 0.02000 -0.22540 0.04112 -0.04795 128 8D 0 -0.00326 0.00058 -0.02440 -0.01011 0.00203 129 8D+1 -0.03135 0.00812 -0.04124 -0.00169 0.00874 130 8D-1 0.04993 0.00443 0.06595 0.01190 0.00223 131 8D+2 -0.01838 -0.01374 -0.03458 0.01011 0.01586 132 8D-2 -0.03840 0.00739 -0.07067 0.01098 -0.01353 133 7 Cu 1S -0.00342 0.00006 -0.00498 -0.00006 -0.00003 134 2S 0.02185 -0.00024 0.02915 -0.00067 0.00055 135 3S -0.12051 0.00214 -0.17973 -0.00233 -0.00072 136 4PX 0.00444 0.01207 -0.00110 -0.00011 -0.00054 137 4PY -0.00751 0.00739 0.00212 0.00078 -0.00046 138 4PZ 0.01119 0.00026 -0.00321 -0.00075 0.00009 139 5PX -0.02744 -0.03079 -0.01855 0.00027 -0.00166 140 5PY 0.04475 -0.01939 0.02854 -0.00316 0.00011 141 5PZ -0.00985 -0.00100 0.03498 0.00363 -0.00064 142 6PX -0.00758 -0.00363 -0.00932 0.00013 0.00087 143 6PY 0.01195 -0.00247 0.01462 -0.00060 0.00088 144 6PZ 0.00827 -0.00023 0.01152 0.00067 -0.00005 145 7D 0 0.09319 0.00372 -0.11275 -0.05031 0.01476 146 7D+1 0.04802 0.07773 0.16892 0.00946 0.06033 147 7D-1 -0.07832 0.05451 -0.26445 0.02283 0.03174 148 7D+2 0.06644 -0.13140 0.04735 0.02825 -0.00183 149 7D-2 0.13572 0.06240 0.10892 0.03812 -0.01140 150 8D 0 0.02829 0.00115 -0.03568 -0.01444 0.00419 151 8D+1 0.01746 0.02406 0.05614 0.00309 0.01722 152 8D-1 -0.02834 0.01697 -0.08791 0.00584 0.00930 153 8D+2 0.02167 -0.04030 0.01674 0.00792 -0.00168 154 8D-2 0.04435 0.01907 0.03805 0.01090 -0.00250 155 8 C 1S 0.01814 -0.00024 0.02976 0.00018 0.00026 156 2S -0.03683 0.00050 -0.06149 -0.00080 -0.00041 157 3S -0.08594 0.00118 -0.15410 0.00096 -0.00201 158 4PX 0.02739 -0.01522 0.04624 0.00050 0.00448 159 4PY -0.04516 -0.00840 -0.07732 -0.00028 0.00175 160 4PZ -0.00569 -0.00040 0.02027 -0.00087 0.00078 161 5PX 0.00552 0.00595 0.00255 -0.00005 -0.00137 162 5PY -0.00937 0.00368 -0.00461 -0.00062 -0.00069 163 5PZ 0.00849 0.00008 0.00751 0.00156 -0.00045 164 9 O 1S -0.00385 0.00005 -0.00536 0.00004 -0.00007 165 2S 0.01121 -0.00014 0.01408 0.00016 0.00010 166 3S 0.01583 -0.00025 0.02966 -0.00107 0.00065 167 4PX -0.02056 0.02925 -0.03249 -0.00021 -0.00501 168 4PY 0.03393 0.01712 0.05582 0.00030 -0.00237 169 4PZ 0.01208 0.00080 -0.04209 -0.00023 -0.00073 170 5PX -0.00752 0.01361 -0.01333 0.00023 -0.00198 171 5PY 0.01250 0.00802 0.02333 -0.00002 -0.00084 172 5PZ 0.00360 0.00040 -0.02496 -0.00090 -0.00020 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26693 -0.26679 -0.26538 -0.26151 -0.26106 1 1 Cu 1S -0.00030 -0.00051 -0.00123 -0.00054 -0.00140 2 2S 0.01972 0.02246 0.03115 -0.00938 -0.02341 3 3S 0.04978 0.01486 0.00805 -0.03988 -0.09989 4 4PX -0.00175 0.00436 -0.00189 -0.00463 -0.00266 5 4PY -0.00743 -0.00644 -0.00276 0.00221 0.00622 6 4PZ -0.00208 -0.00061 0.00410 0.00016 0.00702 7 5PX 0.01484 -0.03640 0.00427 0.01992 0.00846 8 5PY 0.03935 0.02925 0.00428 -0.01281 -0.03597 9 5PZ 0.01997 0.00599 -0.01646 0.00155 -0.02712 10 6PX 0.00813 -0.01331 0.00240 0.00374 -0.00239 11 6PY 0.00512 -0.00137 -0.00265 -0.00773 -0.02161 12 6PZ 0.00494 -0.00031 -0.00402 0.00277 0.00068 13 7D 0 0.04560 0.19891 -0.02514 -0.06908 -0.27360 14 7D+1 -0.16494 -0.16245 -0.02810 0.17275 0.38730 15 7D-1 -0.03774 0.15760 0.25469 0.02348 0.03869 16 7D+2 0.14746 -0.00122 -0.02163 -0.05106 -0.09541 17 7D-2 -0.30932 0.25945 -0.12534 0.00431 -0.01499 18 8D 0 0.01495 0.06398 -0.00762 -0.02166 -0.08910 19 8D+1 -0.05434 -0.05389 -0.00922 0.05669 0.12572 20 8D-1 -0.01279 0.05091 0.08126 0.00717 0.01221 21 8D+2 0.04631 -0.00143 -0.00635 -0.01683 -0.03055 22 8D-2 -0.10007 0.08411 -0.03971 0.00113 -0.00436 23 2 Cu 1S -0.00068 0.00021 -0.00071 0.00127 0.00080 24 2S 0.02420 -0.00677 0.02212 0.02053 0.01298 25 3S -0.00142 -0.01071 0.00664 0.08781 0.05367 26 4PX 0.00101 0.00007 -0.00413 0.00415 0.00315 27 4PY -0.00618 -0.00130 -0.00025 -0.00641 -0.00160 28 4PZ -0.00335 0.00525 0.00067 -0.00382 -0.00542 29 5PX -0.01701 0.00271 0.01800 -0.01078 -0.00989 30 5PY 0.03785 0.01245 -0.00137 0.03135 0.00946 31 5PZ 0.00940 -0.03437 -0.00961 0.02155 0.02722 32 6PX -0.00921 0.00309 0.00238 0.00861 0.00584 33 6PY 0.00298 0.01024 -0.00059 0.01168 0.00514 34 6PZ -0.00953 -0.00864 -0.00030 0.01236 0.01096 35 7D 0 0.06979 0.36097 0.10980 -0.22204 -0.10883 36 7D+1 -0.02860 0.03629 -0.09076 -0.10874 -0.08802 37 7D-1 0.05776 -0.00274 0.09476 0.05168 0.02032 38 7D+2 0.31666 0.15209 -0.13848 0.29382 0.20728 39 7D-2 -0.10936 0.02374 -0.11451 -0.18389 -0.11250 40 8D 0 0.02193 0.11698 0.03505 -0.07194 -0.03532 41 8D+1 -0.00855 0.01186 -0.02896 -0.03514 -0.02936 42 8D-1 0.02023 -0.00167 0.02928 0.01706 0.00668 43 8D+2 0.10310 0.04844 -0.04372 0.09517 0.06708 44 8D-2 -0.03535 0.00674 -0.03677 -0.06021 -0.03588 45 3 Cu 1S 0.00007 0.00045 -0.00044 -0.00147 0.00006 46 2S -0.00375 -0.02152 0.01767 -0.02346 0.00105 47 3S -0.00221 -0.01291 0.00989 -0.09862 0.00394 48 4PX -0.00499 -0.00147 -0.00152 -0.00455 -0.00214 49 4PY -0.00184 0.00332 0.00344 0.00742 -0.00160 50 4PZ 0.00043 0.00569 -0.00112 0.00501 -0.00051 51 5PX 0.03403 0.01008 0.00948 0.01920 0.00887 52 5PY 0.01219 -0.02537 -0.02021 -0.02904 0.00680 53 5PZ -0.00060 -0.02556 0.00053 -0.03219 0.00264 54 6PX 0.01225 0.00009 -0.00006 0.00190 0.00023 55 6PY 0.00547 -0.00621 -0.00076 0.00082 0.00017 56 6PZ 0.00242 0.00677 0.00355 -0.02256 0.00115 57 7D 0 -0.05343 0.08987 -0.00857 0.21681 -0.00584 58 7D+1 -0.32258 0.02788 -0.10333 -0.06313 0.03122 59 7D-1 -0.17930 0.08808 0.22006 0.13732 0.00983 60 7D+2 0.21842 0.11281 0.03813 0.25336 -0.02349 61 7D-2 -0.05112 0.20636 0.01007 0.34182 -0.00996 62 8D 0 -0.01754 0.02766 -0.00362 0.07034 -0.00200 63 8D+1 -0.10458 0.00906 -0.03246 -0.02028 0.00962 64 8D-1 -0.05789 0.02945 0.06979 0.04415 0.00305 65 8D+2 0.06994 0.03767 0.01241 0.08215 -0.00830 66 8D-2 -0.01569 0.06800 0.00366 0.11096 -0.00266 67 4 Cu 1S 0.00074 0.00001 -0.00081 0.00120 -0.00092 68 2S -0.02559 0.00085 0.02396 0.01946 -0.01498 69 3S -0.00161 -0.01051 0.00574 0.08341 -0.06221 70 4PX -0.00506 0.00158 0.00257 0.00366 -0.00084 71 4PY 0.00358 -0.00250 0.00320 -0.00634 0.00343 72 4PZ 0.00450 0.00408 0.00137 -0.00331 0.00623 73 5PX 0.02143 -0.01206 -0.00754 -0.02316 0.00897 74 5PY -0.03166 0.01851 -0.01347 0.02335 -0.01228 75 5PZ -0.01992 -0.03076 -0.01248 0.01717 -0.03016 76 6PX -0.00641 -0.00675 -0.00008 -0.01585 0.01064 77 6PY -0.00886 0.00727 -0.00257 -0.00098 0.00331 78 6PZ 0.00437 -0.01170 -0.00143 0.00848 -0.01045 79 7D 0 0.03915 0.32986 0.10819 -0.17737 0.09390 80 7D+1 0.02273 -0.13456 -0.09571 0.04463 -0.04951 81 7D-1 -0.12117 -0.02291 0.08707 0.20244 -0.16767 82 7D+2 0.19026 -0.08685 -0.04243 -0.25370 0.19666 83 7D-2 -0.18446 0.23336 -0.18194 0.15851 -0.14202 84 8D 0 0.01369 0.10666 0.03468 -0.05758 0.03023 85 8D+1 0.00876 -0.04368 -0.02992 0.01397 -0.01648 86 8D-1 -0.03998 -0.00787 0.02741 0.06568 -0.05505 87 8D+2 0.06120 -0.02878 -0.01414 -0.08275 0.06321 88 8D-2 -0.06057 0.07482 -0.05768 0.05112 -0.04596 89 5 Cu 1S 0.00014 -0.00059 -0.00128 -0.00040 0.00145 90 2S -0.01305 0.02721 0.03238 -0.00719 0.02412 91 3S -0.04368 0.02953 0.01013 -0.03026 0.10398 92 4PX -0.00626 0.00514 0.00289 0.00120 0.00473 93 4PY 0.00049 -0.00756 -0.00042 0.00460 -0.00556 94 4PZ 0.00075 -0.00101 0.00473 0.00015 -0.00669 95 5PX 0.04060 -0.01849 -0.00476 -0.00378 -0.02895 96 5PY 0.00501 0.04601 0.00008 -0.02178 0.02719 97 5PZ -0.01007 0.01305 -0.01708 0.00140 0.02394 98 6PX 0.01184 0.00481 0.00131 0.00184 -0.01873 99 6PY 0.00664 0.00844 -0.00310 -0.00685 0.01121 100 6PZ -0.00231 0.00328 -0.00448 0.00272 -0.00363 101 7D 0 -0.02788 0.23520 -0.05672 -0.08620 0.39305 102 7D+1 -0.05888 -0.03798 -0.20989 -0.06973 0.15340 103 7D-1 -0.08180 0.20880 0.17378 -0.09782 0.26872 104 7D+2 0.41381 0.14987 -0.06992 0.02445 -0.02941 105 7D-2 0.02370 0.05667 -0.08245 -0.01243 0.02181 106 8D 0 -0.00951 0.07631 -0.01760 -0.02735 0.12771 107 8D+1 -0.01958 -0.01123 -0.06693 -0.02293 0.04935 108 8D-1 -0.02640 0.06837 0.05572 -0.03264 0.08744 109 8D+2 0.13375 0.04907 -0.02231 0.00771 -0.00976 110 8D-2 0.00871 0.01678 -0.02582 -0.00428 0.00650 111 6 Cu 1S 0.00003 0.00056 0.00047 0.00009 -0.00002 112 2S -0.00008 -0.00349 0.01539 -0.00014 -0.00001 113 3S 0.00095 0.02237 -0.01359 -0.00194 0.00027 114 4PX 0.01197 -0.00258 0.00231 -0.00002 -0.00040 115 4PY 0.00753 0.00350 -0.00359 -0.00011 -0.00021 116 4PZ -0.00045 -0.01455 -0.00722 0.00040 -0.00004 117 5PX -0.05959 0.01749 0.01819 0.00069 0.00023 118 5PY -0.03849 -0.02495 -0.02962 -0.00111 0.00056 119 5PZ 0.00210 0.06870 0.00378 -0.00103 0.00001 120 6PX 0.00336 -0.00222 -0.00580 0.00029 0.00086 121 6PY 0.00223 0.00306 0.00958 0.00064 0.00048 122 6PZ 0.00024 0.00144 -0.00250 -0.00085 0.00009 123 7D 0 -0.00117 -0.12682 -0.03068 0.13404 -0.04031 124 7D+1 0.08199 -0.00349 -0.03862 0.00496 -0.16881 125 7D-1 0.05045 -0.00062 0.06111 -0.11613 -0.07036 126 7D+2 -0.09401 -0.04406 -0.03302 -0.09560 -0.08632 127 7D-2 0.03661 -0.09430 -0.06787 -0.11144 0.08991 128 8D 0 -0.00055 -0.04080 -0.01087 0.03930 -0.01176 129 8D+1 0.02535 -0.00044 -0.01237 0.00150 -0.04950 130 8D-1 0.01570 -0.00108 0.01962 -0.03421 -0.02061 131 8D+2 -0.03119 -0.01424 -0.01123 -0.02829 -0.02547 132 8D-2 0.01244 -0.03065 -0.02305 -0.03294 0.02652 133 7 Cu 1S -0.00005 -0.00098 0.00023 0.00000 0.00000 134 2S 0.00012 -0.00099 0.06705 -0.00006 -0.00009 135 3S -0.00182 -0.03683 0.03724 -0.00027 0.00012 136 4PX 0.00718 -0.00319 0.00207 0.00005 -0.00062 137 4PY 0.00466 0.00466 -0.00328 -0.00037 -0.00021 138 4PZ -0.00010 -0.00596 -0.00586 0.00040 -0.00019 139 5PX -0.01400 0.00404 -0.01587 -0.00003 0.00327 140 5PY -0.00864 -0.00563 0.02511 0.00155 0.00111 141 5PZ 0.00028 0.01358 0.03170 -0.00227 0.00101 142 6PX -0.01241 0.00328 -0.00219 -0.00013 0.00100 143 6PY -0.00784 -0.00453 0.00323 0.00022 0.00031 144 6PZ 0.00028 0.01143 0.01293 -0.00060 0.00038 145 7D 0 0.00560 0.10578 0.02760 -0.16235 0.05302 146 7D+1 -0.05139 0.03623 -0.27916 -0.00531 0.20841 147 7D-1 -0.03740 -0.05734 0.44202 0.14040 0.08813 148 7D+2 0.11261 0.06140 -0.14789 0.11386 0.10157 149 7D-2 -0.05122 0.13615 -0.31108 0.13368 -0.10421 150 8D 0 0.00170 0.03434 0.00900 -0.05247 0.01718 151 8D+1 -0.01724 0.01194 -0.08892 -0.00176 0.06756 152 8D-1 -0.01242 -0.01878 0.14081 0.04546 0.02855 153 8D+2 0.03603 0.01984 -0.04708 0.03686 0.03298 154 8D-2 -0.01626 0.04391 -0.09902 0.04326 -0.03383 155 8 C 1S 0.00034 0.00581 0.01287 -0.00008 -0.00004 156 2S -0.00069 -0.01236 -0.02429 0.00048 0.00000 157 3S -0.00191 -0.03089 -0.08323 -0.00151 0.00064 158 4PX -0.01527 0.01082 0.01943 -0.00061 -0.00166 159 4PY -0.01064 -0.01706 -0.03230 -0.00026 -0.00084 160 4PZ 0.00082 0.02174 0.00846 0.00202 -0.00061 161 5PX -0.00144 -0.00053 0.01071 0.00000 0.00068 162 5PY -0.00079 0.00087 -0.01756 0.00030 0.00033 163 5PZ 0.00011 0.00453 -0.00016 -0.00096 0.00022 164 9 O 1S -0.00006 -0.00110 -0.00185 0.00002 0.00000 165 2S 0.00013 0.00248 0.00601 -0.00036 0.00006 166 3S 0.00047 0.00738 0.00536 0.00093 -0.00028 167 4PX 0.02387 -0.00772 -0.01275 0.00096 0.00276 168 4PY 0.01539 0.01146 0.02165 0.00050 0.00155 169 4PZ -0.00117 -0.03346 -0.01823 -0.00342 0.00102 170 5PX 0.01275 -0.00319 -0.00641 0.00006 0.00085 171 5PY 0.00812 0.00464 0.01089 0.00055 0.00035 172 5PZ -0.00066 -0.01901 -0.00988 -0.00084 0.00033 66 67 68 69 70 O O O O O EIGENVALUES -- -0.25947 -0.25930 -0.25926 -0.25303 -0.25290 1 1 Cu 1S -0.00012 0.00031 0.00011 -0.00048 -0.00004 2 2S 0.00648 -0.01219 -0.00666 -0.00484 0.00194 3 3S 0.00303 0.00306 -0.00350 -0.03143 0.00070 4 4PX 0.00374 0.00419 -0.00605 -0.00913 -0.00994 5 4PY -0.00181 0.00420 0.00227 -0.00289 -0.00065 6 4PZ 0.00185 0.00415 -0.00274 -0.00717 -0.00645 7 5PX -0.01994 -0.01523 0.03023 0.03059 0.05180 8 5PY 0.01178 -0.02454 -0.01412 0.01159 0.00298 9 5PZ -0.00561 -0.02650 0.00930 0.02790 0.03398 10 6PX -0.00686 -0.00548 0.01225 0.00149 0.04632 11 6PY 0.00699 -0.01239 -0.00772 -0.00374 0.00181 12 6PZ -0.00074 -0.01207 0.00360 0.00613 0.03102 13 7D 0 0.17888 -0.23588 0.19218 0.07319 0.22558 14 7D+1 0.02714 -0.04679 0.15012 0.12664 0.11602 15 7D-1 0.18773 -0.01803 0.03320 -0.07662 -0.15939 16 7D+2 0.02684 -0.14969 -0.29232 0.12957 -0.10709 17 7D-2 0.20511 0.09524 0.08844 -0.07027 -0.26026 18 8D 0 0.05670 -0.07725 0.06095 0.02383 0.07445 19 8D+1 0.00876 -0.01658 0.04741 0.04121 0.03823 20 8D-1 0.05966 -0.00531 0.00986 -0.02459 -0.05256 21 8D+2 0.01082 -0.05021 -0.09495 0.04182 -0.03540 22 8D-2 0.06552 0.03068 0.02682 -0.02273 -0.08579 23 2 Cu 1S -0.00026 -0.00005 0.00033 0.00115 -0.00006 24 2S 0.00672 0.00269 -0.00871 0.01156 0.00278 25 3S -0.00886 0.00125 0.01016 0.07333 0.00206 26 4PX -0.00014 -0.00060 -0.00017 -0.00041 0.00057 27 4PY 0.00079 -0.00796 0.00114 0.00021 0.00803 28 4PZ -0.00382 0.00623 0.00434 0.00824 -0.00868 29 5PX -0.00351 0.00186 0.00598 0.00714 -0.00381 30 5PY 0.00052 0.03993 -0.01036 -0.00491 -0.04114 31 5PZ 0.02124 -0.02642 -0.02537 -0.03121 0.04382 32 6PX -0.00284 0.00092 0.00343 0.01321 -0.00453 33 6PY 0.00047 0.01667 -0.00530 0.00328 -0.03722 34 6PZ 0.01071 -0.00865 -0.01134 0.00282 0.03891 35 7D 0 0.20501 0.03680 0.20250 -0.00965 -0.18157 36 7D+1 -0.25988 0.12240 0.08508 0.08371 -0.24138 37 7D-1 -0.08110 -0.07981 0.18178 0.38718 0.02223 38 7D+2 0.17568 0.01734 0.07633 0.05378 -0.05133 39 7D-2 0.06136 -0.22916 0.12057 -0.01414 0.24695 40 8D 0 0.06425 0.01240 0.06401 -0.00349 -0.05982 41 8D+1 -0.08355 0.03995 0.02864 0.02716 -0.07964 42 8D-1 -0.02817 -0.02687 0.06076 0.12484 0.00744 43 8D+2 0.05553 0.00579 0.02378 0.01774 -0.01679 44 8D-2 0.01937 -0.07456 0.03840 -0.00454 0.08147 45 3 Cu 1S 0.00005 -0.00042 -0.00001 -0.00138 0.00001 46 2S -0.00101 0.00896 0.00021 -0.01377 -0.00026 47 3S 0.00244 -0.01830 -0.00054 -0.08655 0.00009 48 4PX 0.00638 0.00196 -0.00753 0.00146 0.01006 49 4PY 0.00351 -0.00133 -0.00400 -0.00265 0.00530 50 4PZ 0.00110 -0.00370 -0.00094 -0.00596 0.00124 51 5PX -0.02886 -0.01427 0.03555 -0.00916 -0.05113 52 5PY -0.01715 0.01486 0.01902 0.01633 -0.02704 53 5PZ -0.00555 0.02291 0.00433 0.02194 -0.00621 54 6PX -0.01190 -0.00695 0.01371 -0.00452 -0.04663 55 6PY -0.00748 0.00847 0.00733 0.01080 -0.02471 56 6PZ -0.00228 0.00993 0.00154 -0.01169 -0.00542 57 7D 0 0.01588 -0.29799 -0.04701 -0.32253 0.05801 58 7D+1 -0.04357 0.05399 -0.22165 0.12558 0.28497 59 7D-1 -0.06888 0.00400 -0.11621 -0.05312 0.12560 60 7D+2 0.32940 0.04022 0.00657 0.15595 0.15755 61 7D-2 -0.22111 -0.00224 0.02955 0.24865 -0.14822 62 8D 0 0.00572 -0.09830 -0.01513 -0.10377 0.01910 63 8D+1 -0.01243 0.01856 -0.07142 0.04021 0.09392 64 8D-1 -0.02107 0.00077 -0.03722 -0.01659 0.04137 65 8D+2 0.10479 0.01366 0.00068 0.05046 0.05207 66 8D-2 -0.07078 0.00075 0.01050 0.08032 -0.04893 67 4 Cu 1S 0.00025 0.00002 -0.00032 0.00105 0.00005 68 2S -0.00775 0.00163 0.00933 0.01043 -0.00306 69 3S 0.00649 0.00479 -0.00840 0.06684 -0.00275 70 4PX -0.00132 0.00551 0.00176 -0.00052 0.00531 71 4PY -0.00003 -0.00468 -0.00036 -0.00102 -0.00495 72 4PZ 0.00238 0.00733 -0.00417 0.00894 0.00932 73 5PX 0.00831 -0.02773 -0.01035 0.00255 -0.02790 74 5PY -0.00563 0.02277 0.00840 -0.00268 0.02475 75 5PZ -0.01530 -0.03249 0.02501 -0.03429 -0.04756 76 6PX 0.00354 -0.01232 -0.00494 -0.01012 -0.02583 77 6PY -0.00318 0.00874 0.00461 -0.00782 0.02137 78 6PZ -0.00901 -0.01154 0.01140 -0.00091 -0.04270 79 7D 0 -0.28925 -0.05520 -0.14084 -0.08097 0.09270 80 7D+1 -0.13064 -0.08098 0.22059 -0.32969 -0.20691 81 7D-1 -0.13514 -0.15907 -0.01189 0.14401 -0.21801 82 7D+2 0.07123 -0.22011 -0.12877 0.03473 -0.24143 83 7D-2 -0.12899 -0.06355 -0.13469 0.05083 0.01226 84 8D 0 -0.09190 -0.01701 -0.04344 -0.02651 0.03052 85 8D+1 -0.04411 -0.02612 0.07316 -0.10636 -0.06818 86 8D-1 -0.04215 -0.05207 -0.00416 0.04643 -0.07198 87 8D+2 0.02358 -0.07175 -0.04183 0.01107 -0.07962 88 8D-2 -0.04050 -0.02020 -0.04268 0.01674 0.00393 89 5 Cu 1S 0.00006 0.00030 -0.00012 -0.00032 0.00004 90 2S -0.00424 -0.01372 0.00713 -0.00324 -0.00148 91 3S -0.00306 -0.00112 0.00350 -0.02130 -0.00025 92 4PX 0.00202 -0.00630 -0.00185 0.00842 -0.00722 93 4PY 0.00447 -0.00047 -0.00641 0.00738 -0.00846 94 4PZ -0.00178 0.00261 0.00182 -0.00508 0.00451 95 5PX -0.00821 0.03279 0.00635 -0.03034 0.03736 96 5PY -0.02340 -0.00406 0.03332 -0.02476 0.04431 97 5PZ 0.00650 -0.01977 -0.00489 0.01982 -0.02384 98 6PX -0.00108 0.01582 0.00100 0.00008 0.03266 99 6PY -0.00922 -0.00383 0.01478 -0.00343 0.03995 100 6PZ 0.00182 -0.00897 -0.00198 0.00455 -0.02173 101 7D 0 -0.09453 -0.23046 -0.12498 0.04254 -0.19261 102 7D+1 0.14887 0.15720 0.14869 -0.02406 0.06034 103 7D-1 -0.06009 0.01157 0.19342 -0.10713 0.23599 104 7D+2 -0.24181 0.08768 -0.20296 -0.11815 0.22598 105 7D-2 -0.08138 -0.13517 0.19916 0.07240 0.15491 106 8D 0 -0.02959 -0.07494 -0.03972 0.01384 -0.06357 107 8D+1 0.04700 0.05118 0.04683 -0.00806 0.01991 108 8D-1 -0.01973 0.00490 0.06202 -0.03477 0.07782 109 8D+2 -0.07661 0.02927 -0.06396 -0.03811 0.07446 110 8D-2 -0.02755 -0.04603 0.06572 0.02339 0.05115 111 6 Cu 1S 0.00000 -0.00009 0.00001 0.00003 0.00000 112 2S -0.00001 -0.00023 0.00004 -0.00003 0.00001 113 3S 0.00010 -0.00339 0.00029 -0.00088 0.00006 114 4PX 0.00336 0.00093 -0.00410 0.00001 0.00061 115 4PY 0.00216 -0.00225 -0.00228 0.00002 0.00037 116 4PZ -0.00010 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-0.01652 0.00142 67 4 Cu 1S -0.00597 -0.00916 0.00129 0.00840 0.00058 68 2S -0.11860 -0.25238 0.06855 0.07422 -0.01865 69 3S -0.13699 -0.20625 0.01954 0.20553 0.06383 70 4PX -0.01733 0.03059 0.00749 -0.03588 -0.01597 71 4PY 0.04222 0.00543 -0.00542 -0.04078 0.00517 72 4PZ -0.01737 0.02076 0.05115 0.00300 0.00931 73 5PX 0.03711 -0.14987 -0.01381 0.12168 0.03564 74 5PY -0.14277 -0.04742 0.04214 0.13100 -0.02883 75 5PZ 0.07305 -0.05837 -0.17066 -0.02109 -0.05361 76 6PX 0.03699 -0.06589 0.04600 0.07238 0.06230 77 6PY -0.13464 -0.03730 -0.05992 0.05420 -0.03496 78 6PZ -0.04755 -0.00794 -0.09243 -0.00102 -0.05783 79 7D 0 0.01584 -0.01615 0.02521 -0.02392 -0.07125 80 7D+1 0.00144 -0.03199 -0.00742 -0.02616 0.01487 81 7D-1 -0.00252 0.00983 -0.03720 0.02487 -0.02636 82 7D+2 0.03910 -0.00939 0.01151 0.00025 0.01883 83 7D-2 -0.00548 0.00192 -0.00801 0.07351 -0.03064 84 8D 0 0.00509 -0.00299 0.00712 -0.00728 -0.01880 85 8D+1 -0.00038 -0.00867 -0.00284 -0.00614 0.00333 86 8D-1 -0.00175 0.00324 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0.00374 -0.00612 0.00665 0.00195 107 8D+1 0.00548 0.00099 0.00281 0.01507 0.00879 108 8D-1 -0.00363 -0.00613 0.00132 -0.00308 -0.00269 109 8D+2 -0.00488 -0.00495 -0.00791 0.01049 -0.00893 110 8D-2 0.00561 -0.00070 -0.00536 -0.00926 0.00634 111 6 Cu 1S 0.00003 -0.00076 0.00001 -0.00327 0.00369 112 2S 0.00117 -0.01804 0.00048 -0.19419 0.06202 113 3S -0.00010 0.01331 -0.00010 -0.01703 0.04363 114 4PX -0.04009 -0.00105 -0.03394 -0.02878 -0.00131 115 4PY -0.02430 -0.00651 -0.02033 0.04714 0.00029 116 4PZ -0.00145 0.00532 -0.00132 0.00405 0.03961 117 5PX 0.17672 0.00321 0.15170 0.09238 -0.01068 118 5PY 0.10680 0.03088 0.09062 -0.15305 0.02420 119 5PZ 0.00616 -0.02175 0.00597 0.02685 -0.13811 120 6PX -0.11221 -0.00495 -0.07944 0.01320 0.02091 121 6PY -0.06741 -0.01220 -0.04820 -0.02041 -0.04281 122 6PZ -0.00325 -0.00274 -0.00165 -0.02942 0.17430 123 7D 0 0.00318 -0.07603 0.01007 0.06021 0.03433 124 7D+1 0.01036 -0.01334 0.10561 -0.02721 -0.01336 125 7D-1 0.00975 0.04749 0.06194 0.04123 0.02057 126 7D+2 -0.15188 0.01770 -0.05491 0.01414 0.01251 127 7D-2 0.07694 0.05102 0.02023 0.02546 0.02309 128 8D 0 0.00076 -0.01805 0.00243 0.01498 0.00339 129 8D+1 0.00214 -0.00346 0.02518 -0.00441 -0.00188 130 8D-1 0.00198 0.01169 0.01461 0.00656 0.00306 131 8D+2 -0.03314 0.00465 -0.01038 0.00428 0.00159 132 8D-2 0.01672 0.01230 0.00335 0.00805 0.00290 133 7 Cu 1S 0.00001 -0.00048 0.00002 0.00145 0.00294 134 2S 0.00093 -0.02080 0.00091 -0.12754 0.01655 135 3S -0.00079 0.00594 -0.00033 0.18973 0.01550 136 4PX 0.02109 0.00051 0.01900 0.02021 -0.01113 137 4PY 0.01280 0.00382 0.01134 -0.03277 0.02165 138 4PZ 0.00083 -0.00396 0.00078 -0.01042 -0.07291 139 5PX -0.07918 0.00127 -0.07077 -0.03237 0.02890 140 5PY -0.04747 -0.01924 -0.04197 0.05405 -0.06059 141 5PZ -0.00278 0.00988 -0.00262 -0.01730 0.28366 142 6PX 0.11447 0.00838 0.08787 0.00644 -0.05570 143 6PY 0.06979 0.00781 0.05366 -0.01266 0.08883 144 6PZ 0.00288 -0.00634 0.00241 0.03328 0.04122 145 7D 0 -0.00050 -0.07170 0.00843 0.00798 -0.01064 146 7D+1 -0.05311 -0.02601 0.07364 -0.03770 0.00487 147 7D-1 -0.03328 0.05998 0.03798 0.05898 -0.00746 148 7D+2 -0.04689 0.04191 0.04595 -0.01998 -0.00280 149 7D-2 0.02357 0.07211 -0.03270 -0.04167 -0.00495 150 8D 0 -0.00006 -0.02025 0.00245 0.00334 -0.00292 151 8D+1 -0.01368 -0.00720 0.02181 -0.01165 0.00144 152 8D-1 -0.00857 0.01688 0.01135 0.01822 -0.00221 153 8D+2 -0.01438 0.01172 0.01213 -0.00595 -0.00090 154 8D-2 0.00721 0.02042 -0.00887 -0.01245 -0.00162 155 8 C 1S 0.00003 -0.00043 0.00000 -0.00851 0.00546 156 2S -0.00003 0.00008 0.00008 0.01972 -0.00996 157 3S -0.00023 0.00791 -0.00032 0.01608 -0.05170 158 4PX 0.36324 0.02789 0.29867 -0.00003 0.01476 159 4PY 0.22002 0.02729 0.18090 -0.00915 -0.03791 160 4PZ 0.01354 -0.06611 0.01163 0.21976 0.30451 161 5PX 0.20709 0.01718 0.16582 0.00762 -0.01367 162 5PY 0.12543 0.01284 0.10067 -0.01766 0.01307 163 5PZ 0.00773 -0.03476 0.00614 0.12517 0.21032 164 9 O 1S -0.00003 0.00069 -0.00004 0.00431 -0.00924 165 2S 0.00009 -0.00162 0.00008 -0.01391 0.02338 166 3S 0.00014 -0.00542 0.00029 -0.01580 0.06879 167 4PX -0.26887 -0.02066 -0.21375 0.00255 -0.01598 168 4PY -0.16288 -0.01885 -0.12955 0.00250 0.03325 169 4PZ -0.00979 0.04099 -0.00785 -0.16044 -0.15407 170 5PX -0.19565 -0.01527 -0.15768 -0.00159 -0.00811 171 5PY -0.11853 -0.01382 -0.09557 0.00760 0.01976 172 5PZ -0.00723 0.03285 -0.00593 -0.11940 -0.14154 81 82 83 84 85 V V V V V EIGENVALUES -- -0.02215 -0.00470 -0.00330 0.00387 0.01112 1 1 Cu 1S 0.00320 0.00214 -0.00197 -0.00328 -0.00290 2 2S 0.01214 -0.09328 0.06785 -0.04620 -0.02915 3 3S 0.11581 -0.18748 0.27192 0.32761 -0.09407 4 4PX -0.01365 0.02641 -0.00622 -0.02119 -0.06367 5 4PY 0.04249 0.03549 -0.01760 0.01426 -0.01218 6 4PZ 0.01368 -0.02081 0.03748 0.02426 -0.03201 7 5PX 0.03527 -0.06382 0.10534 0.10603 0.26210 8 5PY -0.16866 -0.16139 0.11042 -0.02674 0.06787 9 5PZ -0.07339 0.13829 -0.14451 -0.16265 0.11335 10 6PX 0.06935 -0.18362 0.18062 0.13100 0.46560 11 6PY -0.24392 -0.33028 0.20497 -0.16693 0.15627 12 6PZ -0.06267 0.29011 -0.29346 -0.15573 0.16064 13 7D 0 -0.02752 -0.03468 -0.04054 0.00988 -0.00556 14 7D+1 -0.01319 -0.00523 -0.02059 0.02353 -0.02237 15 7D-1 -0.02434 0.01471 0.00397 -0.02403 -0.00210 16 7D+2 0.00450 0.01646 0.01692 0.00828 -0.01301 17 7D-2 -0.05239 0.02662 0.03012 0.01479 0.00996 18 8D 0 -0.00700 -0.01095 -0.01301 0.00142 0.00085 19 8D+1 -0.00187 -0.00455 -0.00556 0.00432 -0.00336 20 8D-1 -0.00715 0.00673 0.00151 -0.00483 -0.00297 21 8D+2 -0.00124 0.00387 0.00496 -0.00202 -0.00377 22 8D-2 -0.01442 0.00814 0.01146 0.00146 -0.00026 23 2 Cu 1S 0.00404 -0.00263 -0.00296 -0.00324 0.00725 24 2S 0.00870 0.00383 0.09093 -0.08826 0.07476 25 3S 0.09709 0.14647 0.37336 0.08734 0.26370 26 4PX -0.00410 -0.02465 -0.05452 -0.00878 0.02527 27 4PY 0.04697 -0.00966 0.00344 0.01892 -0.02100 28 4PZ 0.04422 0.01293 -0.01242 0.00944 0.04312 29 5PX 0.01272 0.13960 0.29229 0.07752 -0.15866 30 5PY -0.20486 -0.00842 0.02314 -0.06257 0.06826 31 5PZ -0.17612 0.02855 0.03985 -0.05421 -0.19592 32 6PX -0.03004 0.21416 0.55599 -0.09997 -0.40202 33 6PY -0.22071 0.01005 0.07468 -0.16468 0.07650 34 6PZ -0.20574 0.02853 0.12667 -0.12947 -0.39009 35 7D 0 0.03058 0.02203 -0.01060 0.00525 0.01887 36 7D+1 -0.00326 0.06206 -0.00945 -0.00087 -0.02124 37 7D-1 0.02526 -0.01571 0.00211 -0.03262 -0.04999 38 7D+2 0.00942 0.00663 0.01118 0.00479 -0.03518 39 7D-2 0.00015 -0.02571 0.02996 0.02727 0.00154 40 8D 0 0.00926 0.00799 -0.00362 0.00055 0.00556 41 8D+1 0.00085 0.01965 -0.00256 -0.00137 -0.00417 42 8D-1 0.00863 -0.00266 -0.00005 -0.00303 -0.00970 43 8D+2 0.00038 0.00264 0.00265 -0.00027 -0.00799 44 8D-2 0.00068 -0.00959 0.01036 0.00678 -0.00229 45 3 Cu 1S -0.00043 -0.00513 0.00031 -0.00298 -0.00890 46 2S -0.00064 0.05609 -0.01014 -0.10714 -0.09513 47 3S -0.00924 0.33220 -0.04136 -0.03568 -0.33713 48 4PX 0.00012 -0.01726 0.02091 -0.00618 -0.00868 49 4PY -0.00419 0.04473 0.00546 0.00697 0.02181 50 4PZ -0.00625 -0.03387 0.00554 0.01546 -0.03125 51 5PX -0.03449 0.09980 -0.00454 0.03128 0.05159 52 5PY -0.00058 -0.23345 0.02673 -0.04745 -0.13336 53 5PZ 0.02279 0.20720 -0.01767 -0.05687 0.18801 54 6PX -0.00213 0.15763 -0.02528 -0.02663 0.11863 55 6PY 0.01058 -0.38745 0.03755 0.11605 -0.32047 56 6PZ 0.02968 0.39674 -0.04314 -0.26755 0.46589 57 7D 0 -0.01419 0.01449 0.00704 -0.00994 0.04470 58 7D+1 -0.05615 0.01967 0.04029 0.01425 -0.00386 59 7D-1 -0.03692 -0.02780 0.01619 -0.01664 -0.02471 60 7D+2 0.04271 0.01111 0.04680 0.01549 -0.03774 61 7D-2 -0.01926 0.01366 -0.03716 0.03016 -0.05186 62 8D 0 -0.00431 0.00524 0.00261 0.00014 0.00982 63 8D+1 -0.01600 0.00547 0.01459 0.00101 0.00024 64 8D-1 -0.01030 -0.00758 0.00624 -0.00143 -0.00736 65 8D+2 0.00906 0.00281 0.01377 0.00240 -0.00798 66 8D-2 -0.00354 0.00303 -0.01149 0.00479 -0.01048 67 4 Cu 1S -0.00440 -0.00183 0.00312 -0.00327 0.00717 68 2S -0.01054 -0.01184 -0.09726 -0.08128 0.07407 69 3S -0.11007 0.09156 -0.39338 0.12962 0.26224 70 4PX 0.04765 0.01147 -0.03319 -0.01177 -0.00363 71 4PY -0.02746 0.00508 -0.04895 0.01985 -0.03690 72 4PZ -0.04146 0.01927 -0.00061 0.00953 0.04039 73 5PX -0.20185 -0.03202 0.19725 0.01145 0.06222 74 5PY 0.11383 -0.08150 0.24361 -0.10951 0.18670 75 5PZ 0.16820 0.00183 0.01433 -0.06470 -0.17225 76 6PX -0.25474 -0.04562 0.41143 0.19678 0.21671 77 6PY 0.09332 -0.09622 0.45385 -0.03803 0.40875 78 6PZ 0.18942 -0.02101 -0.01260 -0.10063 -0.32216 79 7D 0 -0.01224 0.00485 0.00748 0.01087 0.03123 80 7D+1 0.02475 -0.03320 -0.00532 0.02999 0.04298 81 7D-1 -0.01275 -0.05957 -0.00309 -0.01711 -0.02150 82 7D+2 -0.00524 -0.03117 -0.01520 0.01690 0.00383 83 7D-2 0.00000 0.00717 -0.01744 0.01630 -0.03348 84 8D 0 -0.00358 0.00202 0.00219 0.00147 0.00774 85 8D+1 0.00902 -0.01305 -0.00216 0.00430 0.00720 86 8D-1 -0.00276 -0.01751 0.00008 -0.00072 -0.00466 87 8D+2 -0.00365 -0.01099 -0.00584 0.00590 -0.00124 88 8D-2 0.00114 0.00227 -0.00537 0.00240 -0.00839 89 5 Cu 1S -0.00243 0.00261 0.00146 -0.00328 -0.00274 90 2S -0.00970 -0.10336 -0.05232 -0.04158 -0.02755 91 3S -0.09344 -0.22140 -0.20834 0.35282 -0.09054 92 4PX 0.02223 -0.04196 -0.00481 -0.00474 0.05036 93 4PY -0.02599 0.00308 0.01077 0.02284 0.04866 94 4PZ -0.00867 -0.03502 -0.03213 0.02813 -0.01904 95 5PX -0.10356 0.16569 0.09528 -0.01021 -0.21733 96 5PY 0.08264 -0.05361 0.00983 -0.08809 -0.18867 97 5PZ 0.05064 0.18810 0.12758 -0.18453 0.05958 98 6PX -0.13405 0.35346 0.15411 0.08619 -0.40358 99 6PY 0.14587 -0.06723 -0.00008 -0.18685 -0.30789 100 6PZ 0.04044 0.40177 0.26055 -0.18240 0.06334 101 7D 0 0.01960 -0.02604 0.03582 0.00488 0.00173 102 7D+1 -0.02843 0.00368 -0.02620 0.00898 0.01546 103 7D-1 -0.00120 0.01547 -0.03408 -0.03027 0.01393 104 7D+2 0.06367 0.01485 -0.02216 0.00656 0.01253 105 7D-2 0.01431 0.01706 -0.02420 0.01922 -0.01201 106 8D 0 0.00482 -0.00751 0.01171 0.00023 0.00219 107 8D+1 -0.00693 0.00088 -0.00797 0.00198 0.00339 108 8D-1 0.00187 0.00806 -0.01037 -0.00624 0.00000 109 8D+2 0.01683 0.00502 -0.00911 0.00148 0.00038 110 8D-2 0.00559 0.00335 -0.00817 -0.00002 -0.00393 111 6 Cu 1S 0.00000 0.00367 0.00002 0.00332 0.00014 112 2S 0.00007 0.06821 0.00051 0.07892 0.00187 113 3S 0.00020 0.14502 -0.00092 -0.16883 0.00958 114 4PX 0.01750 0.00941 0.04322 0.00197 0.00000 115 4PY 0.01057 -0.01792 0.02616 -0.00279 0.00006 116 4PZ 0.00047 0.04639 0.00124 -0.01260 -0.00028 117 5PX -0.05358 -0.00564 -0.05873 -0.02919 0.00068 118 5PY -0.03222 0.01438 -0.03613 0.04720 -0.00424 119 5PZ -0.00121 -0.09711 -0.00193 0.01526 0.00446 120 6PX 0.13282 0.02525 0.19089 0.21475 -0.00171 121 6PY 0.08037 -0.04806 0.11495 -0.33033 0.00199 122 6PZ 0.00372 0.10746 0.00482 -0.52719 0.00185 123 7D 0 0.00105 0.06688 0.00246 -0.03945 -0.01907 124 7D+1 0.01946 -0.02866 0.04831 -0.03458 -0.00243 125 7D-1 0.01357 0.04276 0.03226 0.05581 0.01733 126 7D+2 -0.04768 0.01299 -0.08238 -0.03782 0.01403 127 7D-2 0.02382 0.02186 0.04111 -0.07677 0.01702 128 8D 0 0.00010 0.01956 0.00068 -0.00986 -0.00764 129 8D+1 0.00109 -0.00883 0.01322 -0.00762 -0.00093 130 8D-1 0.00086 0.01325 0.00881 0.01231 0.00685 131 8D+2 -0.00470 0.00353 -0.02195 -0.00882 0.00542 132 8D-2 0.00231 0.00581 0.01093 -0.01785 0.00660 133 7 Cu 1S 0.00001 0.00357 0.00003 0.00901 0.00004 134 2S 0.00017 0.01503 0.00013 0.09447 -0.00075 135 3S -0.00012 0.09023 0.00233 0.80583 -0.00201 136 4PX -0.06588 0.02318 0.02516 0.02303 0.00009 137 4PY -0.04007 -0.03891 0.01503 -0.03644 0.00002 138 4PZ -0.00183 0.01563 0.00067 -0.03185 -0.00059 139 5PX 0.23599 -0.07396 0.00775 -0.13863 -0.00107 140 5PY 0.14366 0.11890 0.00553 0.22099 0.00168 141 5PZ 0.00668 0.05403 0.00062 0.13953 0.00125 142 6PX 0.03998 -0.13129 0.02362 -0.38470 -0.00411 143 6PY 0.02511 0.20773 0.01710 0.61066 0.00487 144 6PZ 0.00046 0.15092 0.00102 0.48882 0.00763 145 7D 0 -0.00022 -0.06205 -0.00221 0.01736 -0.02186 146 7D+1 -0.00271 0.02215 -0.04071 0.02962 -0.00249 147 7D-1 -0.00188 -0.03248 -0.02667 -0.04756 0.02072 148 7D+2 0.00750 -0.01148 0.05835 0.02376 0.01803 149 7D-2 -0.00374 -0.01959 -0.02887 0.04902 0.02221 150 8D 0 -0.00002 -0.02196 -0.00076 0.00615 -0.00920 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0.00014 156 2S -0.00007 0.00249 0.01574 -0.00257 -0.00060 157 3S 0.00005 -0.04474 0.00971 -0.00313 -0.00105 158 4PX 0.00443 -0.01771 -0.00326 0.00130 -0.00264 159 4PY 0.00262 0.03577 0.00445 -0.00029 -0.00184 160 4PZ 0.00044 -0.13754 0.01662 -0.00362 -0.00087 161 5PX 0.00545 0.01953 -0.01095 0.00031 -0.00562 162 5PY 0.00303 -0.02641 0.01690 0.00217 -0.00275 163 5PZ 0.00092 -0.11836 0.02241 -0.00478 -0.00172 164 9 O 1S -0.00007 -0.02630 0.00276 0.00043 0.00010 165 2S 0.00023 0.07763 -0.00738 -0.00157 -0.00040 166 3S 0.00029 0.12901 -0.01306 -0.00198 -0.00031 167 4PX -0.00434 -0.00190 0.00014 -0.00141 0.01045 168 4PY -0.00226 -0.00018 0.00001 -0.00487 0.00545 169 4PZ -0.00091 0.06666 -0.00340 0.01239 0.00295 170 5PX -0.00290 0.01364 -0.00201 -0.00192 0.00569 171 5PY -0.00188 -0.02567 0.00372 -0.00060 0.00360 172 5PZ -0.00052 0.06484 -0.00752 0.00675 0.00178 91 92 93 94 95 V V V V V EIGENVALUES -- 0.04522 0.04638 0.04647 0.05115 0.05199 1 1 Cu 1S -0.00108 0.00061 0.00007 0.00042 -0.00067 2 2S -0.01654 -0.01125 -0.01321 -0.05413 0.04483 3 3S -0.47675 -0.28116 -0.29103 -1.28959 1.04749 4 4PX 0.00138 0.01535 0.00490 -0.01554 0.00372 5 4PY 0.01723 -0.02439 -0.00691 -0.02592 0.02504 6 4PZ -0.00549 -0.02030 -0.00519 0.01798 -0.01672 7 5PX -0.03696 -0.10733 -0.02660 0.07426 0.04968 8 5PY -0.12443 0.11589 0.02639 0.10941 -0.10355 9 5PZ 0.04768 0.13352 0.05497 -0.00357 0.07872 10 6PX 0.20762 -0.88401 -0.22846 -0.14799 -0.72993 11 6PY -0.57225 1.33186 0.27275 -0.57301 0.48783 12 6PZ -0.19341 1.30856 0.36240 -0.53556 0.01885 13 7D 0 0.02393 -0.01953 -0.03139 0.01748 -0.00408 14 7D+1 -0.00900 0.02298 -0.00692 0.01290 -0.00289 15 7D-1 -0.00261 0.00866 -0.01699 -0.02215 0.01059 16 7D+2 0.02287 -0.03561 0.01374 0.01891 -0.02373 17 7D-2 0.00803 0.00287 -0.02018 0.00539 -0.02710 18 8D 0 0.00469 -0.00240 -0.00453 0.00017 -0.00297 19 8D+1 0.00154 0.00241 -0.00103 0.00288 -0.00136 20 8D-1 -0.00279 0.00239 -0.00150 -0.00159 0.00021 21 8D+2 0.00639 -0.00561 0.00234 0.00328 -0.00279 22 8D-2 0.00242 -0.00091 -0.00195 0.00009 -0.00263 23 2 Cu 1S -0.00146 -0.00005 -0.00050 0.00016 -0.00106 24 2S -0.05493 0.00490 0.00962 0.03299 0.06946 25 3S -1.01697 0.13251 0.16762 0.59157 1.53197 26 4PX 0.00290 -0.01185 -0.01188 0.01161 0.03196 27 4PY 0.00471 0.01285 0.02172 0.01231 0.01576 28 4PZ 0.00576 0.01100 0.01761 0.00555 0.02212 29 5PX -0.08463 0.08749 0.08521 -0.04992 -0.08801 30 5PY -0.04099 -0.07983 -0.11582 -0.09289 -0.05563 31 5PZ -0.06225 -0.05009 -0.09618 0.03341 -0.11779 32 6PX -0.22791 0.62355 0.82869 -0.02839 -0.10793 33 6PY -0.40077 -0.89485 -1.12514 0.57849 0.23405 34 6PZ -0.22812 -0.71934 -1.05574 -0.31006 0.58936 35 7D 0 -0.00858 -0.03577 0.00347 -0.01016 0.01121 36 7D+1 0.00027 0.00497 -0.02528 -0.01589 -0.00262 37 7D-1 -0.02696 -0.01779 -0.01727 0.01803 0.03834 38 7D+2 0.01375 -0.00022 0.03556 -0.01449 -0.01687 39 7D-2 -0.01034 -0.02283 -0.00914 0.00303 -0.01404 40 8D 0 -0.00063 -0.00446 -0.00011 -0.00128 0.00144 41 8D+1 -0.00037 0.00119 -0.00266 0.00114 0.00109 42 8D-1 -0.00811 -0.00297 -0.00418 0.00197 0.00462 43 8D+2 0.00176 0.00096 0.00487 -0.00251 -0.00059 44 8D-2 -0.00121 -0.00351 -0.00012 0.00051 0.00113 45 3 Cu 1S -0.00158 0.00007 -0.00001 -0.00020 0.00012 46 2S -0.04588 0.00008 -0.01893 0.08145 -0.00792 47 3S -0.88047 0.00947 -0.37065 1.59758 -0.16894 48 4PX -0.00512 0.00147 0.01508 0.00139 -0.00576 49 4PY 0.00827 -0.00013 -0.02470 -0.01331 -0.00125 50 4PZ 0.00872 -0.00110 -0.01602 0.04222 -0.00492 51 5PX 0.01579 0.00023 -0.09821 0.01533 0.09205 52 5PY -0.01029 0.00377 0.16833 0.02758 0.04655 53 5PZ -0.09735 0.00749 0.06543 -0.15639 0.02740 54 6PX 0.26553 0.02493 -0.92127 -0.12468 -0.61448 55 6PY -0.32462 0.06186 1.51377 0.04273 -0.34469 56 6PZ -0.63721 0.04171 1.06761 0.23998 -0.11327 57 7D 0 -0.03376 -0.00256 0.03675 0.01289 -0.00553 58 7D+1 0.01863 -0.01804 -0.01152 -0.02539 -0.01566 59 7D-1 -0.02138 -0.01315 0.01285 0.03270 -0.01184 60 7D+2 0.00213 0.03281 0.01155 -0.00979 -0.00319 61 7D-2 0.00482 -0.01931 0.01461 -0.02154 0.00684 62 8D 0 -0.00766 -0.00010 0.00530 0.00407 -0.00077 63 8D+1 0.00464 -0.00156 -0.00219 -0.00185 -0.00133 64 8D-1 -0.00461 -0.00110 0.00276 0.00103 -0.00113 65 8D+2 0.00232 0.00406 0.00169 -0.00072 0.00222 66 8D-2 0.00407 -0.00282 0.00197 -0.00174 -0.00115 67 4 Cu 1S -0.00140 0.00015 -0.00054 0.00023 0.00113 68 2S -0.05333 -0.00017 0.01036 0.01815 -0.07255 69 3S -1.00088 -0.04188 0.18519 0.27710 -1.61671 70 4PX -0.00721 0.00651 -0.01524 -0.01030 0.03712 71 4PY -0.00222 -0.01525 0.02045 0.00074 0.02041 72 4PZ 0.00358 -0.01162 0.01766 -0.00064 -0.01380 73 5PX 0.09411 -0.03449 0.06841 0.07278 -0.13399 74 5PY 0.06506 0.10278 -0.12767 -0.02276 -0.04856 75 5PZ -0.03794 0.05600 -0.10067 0.06767 0.08053 76 6PX 0.46130 -0.53522 0.68170 -0.36877 0.35067 77 6PY 0.04447 0.89579 -1.24707 0.37901 -0.28895 78 6PZ -0.09958 0.71823 -1.10128 -0.42144 -0.52694 79 7D 0 -0.00169 0.03374 0.01316 -0.00731 -0.00240 80 7D+1 0.01986 -0.01848 0.02421 0.00351 0.03575 81 7D-1 -0.00824 0.00851 0.01750 0.01684 -0.02158 82 7D+2 -0.01873 0.02528 -0.02605 0.01192 -0.00473 83 7D-2 0.00949 0.00860 0.02400 -0.01159 0.02396 84 8D 0 0.00103 0.00419 0.00133 -0.00170 0.00023 85 8D+1 0.00629 -0.00266 0.00475 -0.00087 0.00478 86 8D-1 -0.00318 0.00199 0.00082 -0.00049 -0.00134 87 8D+2 -0.00316 0.00424 -0.00287 0.00167 -0.00241 88 8D-2 0.00128 0.00036 0.00393 -0.00199 0.00050 89 5 Cu 1S -0.00110 -0.00056 0.00009 0.00043 0.00051 90 2S -0.00955 0.01269 -0.01117 -0.06248 -0.03358 91 3S -0.36862 0.33683 -0.26771 -1.47266 -0.78941 92 4PX -0.01568 -0.01470 0.00413 0.02927 0.01351 93 4PY 0.01101 0.02355 -0.00814 -0.00528 -0.01117 94 4PZ -0.00637 0.02033 -0.00635 0.02701 0.01567 95 5PX 0.11577 0.05469 -0.01966 -0.13335 -0.01491 96 5PY -0.05596 -0.13699 0.03513 0.01736 0.10331 97 5PZ 0.05517 -0.14328 0.06211 -0.04560 -0.07200 98 6PX 0.44657 0.79040 -0.19551 0.66284 -0.12501 99 6PY -0.57515 -1.29381 0.35055 -0.34569 -0.83087 100 6PZ -0.30722 -1.26544 0.39792 -0.48464 -0.00395 101 7D 0 0.02888 0.02413 -0.02544 0.01756 0.00205 102 7D+1 0.00209 0.01264 0.02220 0.00915 0.00915 103 7D-1 0.00798 0.01750 0.00390 -0.02195 0.00007 104 7D+2 -0.00264 -0.01765 -0.02710 -0.00355 0.01499 105 7D-2 0.02446 0.02518 0.00225 0.02918 0.02689 106 8D 0 0.00492 0.00306 -0.00382 -0.00006 0.00219 107 8D+1 0.00099 0.00261 0.00273 -0.00024 -0.00099 108 8D-1 -0.00223 0.00161 0.00116 -0.00275 -0.00093 109 8D+2 -0.00054 -0.00166 -0.00294 -0.00112 0.00182 110 8D-2 0.00775 0.00441 0.00100 0.00448 0.00297 111 6 Cu 1S 0.00193 0.00000 -0.00005 -0.00271 -0.00001 112 2S 0.01602 -0.00085 0.00284 -0.01655 -0.00015 113 3S 1.02533 -0.05452 0.20020 0.26713 -0.00278 114 4PX -0.00535 0.00055 -0.00047 -0.00081 -0.01542 115 4PY 0.00766 0.00003 0.00144 0.00264 -0.00935 116 4PZ 0.02169 -0.00060 0.00167 -0.02669 -0.00047 117 5PX 0.07947 0.00014 0.01048 0.04745 0.13298 118 5PY -0.12023 0.00598 -0.02012 -0.08800 0.08042 119 5PZ -0.19336 0.00712 -0.02121 0.19640 0.00378 120 6PX -1.16189 -0.03203 -0.17274 0.13073 1.12344 121 6PY 1.86162 -0.11635 0.22366 -0.28095 0.67800 122 6PZ 1.09059 -0.07355 0.30512 1.42847 0.03263 123 7D 0 -0.01398 -0.00693 0.03033 -0.01284 -0.00037 124 7D+1 0.00039 -0.04075 0.00457 0.00221 -0.00896 125 7D-1 -0.00039 -0.01822 -0.02846 -0.00316 -0.00613 126 7D+2 0.00013 -0.02522 -0.02391 -0.00517 0.02004 127 7D-2 0.00117 0.02219 -0.03126 -0.00962 -0.01015 128 8D 0 -0.00383 -0.00097 0.00441 -0.00251 -0.00004 129 8D+1 -0.00587 -0.00558 -0.00055 -0.00165 -0.00090 130 8D-1 0.00943 -0.00318 -0.00227 0.00263 -0.00063 131 8D+2 -0.00347 -0.00302 -0.00393 -0.00244 0.00229 132 8D-2 -0.00723 0.00322 -0.00565 -0.00487 -0.00116 133 7 Cu 1S 0.00286 -0.00013 0.00051 0.00162 0.00000 134 2S 0.18408 -0.00645 0.02381 0.00334 -0.00007 135 3S 2.19571 -0.07777 0.28647 0.05125 -0.00060 136 4PX 0.01979 0.00267 0.00213 -0.01456 -0.04725 137 4PY -0.03177 0.00255 -0.00186 0.02603 -0.02860 138 4PZ -0.01736 0.00166 -0.00665 -0.04241 -0.00133 139 5PX -0.05631 -0.01979 -0.00491 0.09522 0.31231 140 5PY 0.09298 -0.01271 -0.00289 -0.17081 0.18896 141 5PZ 0.00426 -0.00667 0.02938 0.28838 0.00883 142 6PX -0.01726 -0.10077 0.00765 0.51778 2.29355 143 6PY 0.04440 -0.04505 -0.05539 -0.96528 1.39305 144 6PZ -0.27714 -0.02755 0.12075 2.30837 0.06714 145 7D 0 0.00741 0.00747 -0.02886 -0.01387 -0.00047 146 7D+1 0.00653 0.03904 -0.00262 0.01196 -0.00765 147 7D-1 -0.00970 0.01814 0.02261 -0.01846 -0.00506 148 7D+2 0.00434 0.02322 0.02098 -0.00166 0.01426 149 7D-2 0.00794 -0.02124 0.02840 -0.00223 -0.00706 150 8D 0 0.00075 0.00102 -0.00383 -0.00288 -0.00013 151 8D+1 0.00024 0.00510 -0.00032 0.00197 -0.00193 152 8D-1 -0.00021 0.00234 0.00283 -0.00300 -0.00122 153 8D+2 0.00084 0.00282 0.00247 -0.00026 0.00234 154 8D-2 0.00147 -0.00265 0.00346 -0.00034 -0.00113 155 8 C 1S -0.00376 0.00011 -0.00041 -0.00780 0.00001 156 2S 0.02830 -0.00094 0.00360 0.02945 -0.00002 157 3S 0.04150 -0.00258 0.00906 0.01782 -0.00034 158 4PX -0.03053 0.00536 -0.00499 -0.01127 -0.16494 159 4PY 0.05222 -0.00036 0.01025 0.02685 -0.10022 160 4PZ -0.04305 0.00432 -0.01469 -0.17345 -0.00473 161 5PX 0.06579 -0.00565 0.01380 0.00641 -0.15626 162 5PY -0.10421 0.00474 -0.02106 -0.00135 -0.09489 163 5PZ -0.09481 0.00543 -0.02082 -0.19030 -0.00445 164 9 O 1S -0.02813 0.00137 -0.00524 0.00956 0.00004 165 2S 0.08570 -0.00432 0.01654 -0.02696 -0.00012 166 3S 0.11712 -0.00477 0.01857 -0.05616 -0.00024 167 4PX 0.00919 -0.02179 0.00088 0.00301 0.01000 168 4PY -0.01544 -0.01091 -0.00848 -0.00557 0.00612 169 4PZ -0.01625 -0.00451 0.01572 0.00714 0.00030 170 5PX 0.02712 -0.00779 0.00469 0.00264 0.05354 171 5PY -0.04564 -0.00124 -0.00995 -0.00726 0.03265 172 5PZ 0.01364 -0.00271 0.00880 0.05628 0.00149 96 97 98 99 100 V V V V V EIGENVALUES -- 0.06311 0.06329 0.07218 0.07266 0.07979 1 1 Cu 1S 0.00114 -0.00087 0.00086 -0.00104 0.00118 2 2S -0.00155 0.01353 -0.01860 0.02082 0.03816 3 3S -0.28736 0.38245 -0.68989 0.85310 0.94388 4 4PX -0.02443 0.01672 0.00127 0.03261 -0.00797 5 4PY 0.01877 -0.01326 -0.03215 0.03521 -0.01255 6 4PZ 0.03083 -0.03216 0.03637 -0.01845 0.00955 7 5PX 0.14428 -0.07459 -0.05244 -0.19116 0.03542 8 5PY -0.13278 0.11262 0.14459 -0.15912 0.06230 9 5PZ -0.15678 0.20013 -0.19662 0.05174 -0.05438 10 6PX -0.80921 0.55118 -1.23366 -1.49475 1.77907 11 6PY 1.08964 -0.98282 -0.47427 0.22043 -1.21994 12 6PZ 0.98396 -1.04137 -1.11775 -0.79356 2.19657 13 7D 0 -0.00541 0.04352 -0.00389 -0.00533 -0.02832 14 7D+1 0.02495 -0.01063 -0.01214 0.00822 0.00388 15 7D-1 0.01067 0.01493 0.00718 0.00073 0.02780 16 7D+2 -0.03384 0.00689 -0.00232 0.00852 0.02751 17 7D-2 0.00780 0.00992 0.00441 0.00769 0.02631 18 8D 0 -0.00087 0.00923 -0.00207 -0.00203 -0.00448 19 8D+1 0.00654 -0.00164 -0.00074 -0.00151 0.00094 20 8D-1 0.00369 0.00361 0.00304 0.00083 0.00428 21 8D+2 -0.00816 0.00073 0.00165 0.00035 0.00413 22 8D-2 0.00316 0.00485 0.00216 0.00273 0.00386 23 2 Cu 1S 0.00028 -0.00122 0.00149 0.00072 0.00161 24 2S 0.01379 0.02458 -0.02204 -0.00952 0.05177 25 3S 0.13267 0.61475 -0.90775 -0.38369 1.29514 26 4PX 0.00996 0.04058 -0.05204 -0.02618 -0.02393 27 4PY -0.00958 -0.03096 -0.00983 -0.02520 -0.00839 28 4PZ -0.01192 -0.02045 -0.02968 0.00862 -0.00726 29 5PX -0.07359 -0.21127 0.23285 0.12670 0.12388 30 5PY 0.06514 0.22770 0.02804 0.16639 0.04229 31 5PZ 0.10762 0.14761 0.16067 -0.09143 0.03987 32 6PX 0.50191 1.06337 0.03749 0.22545 -1.68636 33 6PY -0.70374 -1.47761 -1.17981 1.41268 0.12938 34 6PZ -0.75361 -1.15605 0.33053 -1.74398 -2.14357 35 7D 0 0.01624 -0.02676 -0.00659 0.00301 0.00116 36 7D+1 -0.03204 -0.01616 -0.00582 0.00643 -0.02681 37 7D-1 0.00082 -0.01122 0.01268 0.00772 -0.02112 38 7D+2 0.02916 0.01733 0.00281 0.00237 -0.02197 39 7D-2 -0.00737 -0.03757 -0.00230 -0.00944 0.01100 40 8D 0 0.00667 -0.00680 -0.00064 0.00257 0.00038 41 8D+1 -0.00553 -0.00171 -0.00268 0.00221 -0.00384 42 8D-1 0.00008 -0.00364 -0.00019 0.00044 -0.00304 43 8D+2 0.00684 0.00346 -0.00167 -0.00045 -0.00358 44 8D-2 0.00018 -0.00593 0.00037 -0.00391 0.00178 45 3 Cu 1S -0.00011 0.00012 -0.00020 0.00194 -0.00014 46 2S 0.02843 -0.00310 0.00233 -0.02236 -0.00461 47 3S 0.46038 -0.07372 0.10309 -0.97995 -0.11878 48 4PX 0.02393 -0.00750 0.02504 -0.01024 -0.00005 49 4PY -0.04091 0.00254 0.00870 0.03775 -0.00170 50 4PZ -0.02057 0.00068 0.00870 -0.05226 0.00182 51 5PX -0.15833 0.07875 -0.18068 0.03732 -0.01066 52 5PY 0.26662 0.00322 -0.07550 -0.17432 0.00330 53 5PZ 0.17696 -0.00649 -0.04848 0.24050 -0.01098 54 6PX 1.13223 -0.28778 -2.12825 -0.05943 3.32251 55 6PY -1.83655 0.07118 -1.06778 -0.39210 1.65451 56 6PZ -1.47214 0.09861 -0.18852 -0.36925 0.57868 57 7D 0 -0.04825 0.00716 0.00181 0.00692 0.01117 58 7D+1 0.00701 0.01163 0.01134 -0.00478 0.04763 59 7D-1 0.00153 0.01126 0.00441 0.00481 0.01926 60 7D+2 -0.02388 -0.03178 0.00607 -0.00800 0.02730 61 7D-2 -0.02844 0.02342 -0.00369 -0.01462 -0.02784 62 8D 0 -0.00795 0.00200 0.00101 -0.00062 0.00163 63 8D+1 0.00249 0.00513 0.00447 -0.00086 0.00709 64 8D-1 -0.00123 0.00418 0.00176 0.00287 0.00285 65 8D+2 -0.00372 -0.00767 0.00216 0.00055 0.00411 66 8D-2 -0.00349 0.00495 -0.00215 -0.00039 -0.00418 67 4 Cu 1S 0.00041 0.00132 -0.00155 0.00034 -0.00170 68 2S 0.01050 -0.02481 0.02431 -0.00440 -0.05499 69 3S 0.05326 -0.63417 0.98160 -0.15986 -1.37476 70 4PX 0.00199 -0.00683 -0.04804 0.02366 -0.02210 71 4PY -0.00408 0.05117 -0.04038 -0.00286 -0.01635 72 4PZ -0.00749 0.02699 0.01483 0.01905 0.00213 73 5PX -0.00933 0.09575 0.21460 -0.14708 0.11424 74 5PY 0.03702 -0.29853 0.18656 0.04212 0.08523 75 5PZ 0.07811 -0.18270 -0.08207 -0.14803 -0.01151 76 6PX 0.26013 -0.87549 -0.68659 -1.10085 -1.58678 77 6PY -0.41714 1.66482 0.56084 0.90892 -1.48412 78 6PZ -0.50333 1.28146 -0.01795 -1.96508 1.36203 79 7D 0 0.02832 0.01362 0.00609 0.00087 -0.01604 80 7D+1 0.00525 -0.01952 0.00775 -0.01002 -0.02686 81 7D-1 0.02599 -0.01992 -0.01284 -0.00338 0.00243 82 7D+2 -0.00914 0.04440 0.00288 -0.00742 -0.00663 83 7D-2 0.01707 -0.00265 -0.00030 -0.00017 0.02203 84 8D 0 0.00893 0.00377 -0.00061 0.00146 -0.00253 85 8D+1 -0.00013 -0.00477 -0.00108 -0.00326 -0.00380 86 8D-1 0.00440 -0.00219 -0.00121 -0.00226 0.00055 87 8D+2 -0.00072 0.00793 -0.00004 -0.00334 -0.00127 88 8D-2 0.00512 -0.00172 0.00204 -0.00087 0.00353 89 5 Cu 1S 0.00119 0.00065 -0.00063 -0.00119 -0.00093 90 2S -0.00231 -0.00999 0.01377 0.02439 -0.03009 91 3S -0.30690 -0.28326 0.50757 0.98718 -0.74462 92 4PX -0.00942 -0.00677 -0.00885 -0.04610 -0.01081 93 4PY 0.03066 0.01250 0.02297 0.00012 0.00037 94 4PZ 0.03732 0.02600 -0.03176 -0.03535 -0.00913 95 5PX 0.07245 0.07808 0.00166 0.23000 0.04943 96 5PY -0.19574 -0.06531 -0.15150 0.02856 -0.00601 97 5PZ -0.19578 -0.15948 0.17073 0.14347 0.05110 98 6PX -0.76536 -0.56203 -1.36928 0.49850 0.84049 99 6PY 1.35801 0.65461 -1.14885 1.15321 2.51403 100 6PZ 1.18570 0.80595 0.89207 -0.33706 -1.88550 101 7D 0 -0.02260 -0.03816 0.00261 -0.00677 0.03227 102 7D+1 -0.01518 0.02001 -0.00234 -0.00198 0.00447 103 7D-1 -0.02137 -0.00461 -0.01256 -0.00621 -0.02706 104 7D+2 0.01938 -0.01498 -0.00716 0.00291 -0.02401 105 7D-2 -0.02551 -0.00452 0.00080 0.01294 -0.03297 106 8D 0 -0.00518 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-0.00827 -0.01870 16 7D+2 0.00105 -0.00539 -0.01303 0.03910 -0.02146 17 7D-2 0.00556 -0.01252 0.02963 -0.00228 0.02527 18 8D 0 -0.00065 -0.00213 0.00613 0.00821 -0.00291 19 8D+1 0.00309 -0.00107 -0.00055 -0.00797 -0.01411 20 8D-1 0.00109 0.00144 0.00257 -0.00081 -0.00157 21 8D+2 -0.00424 0.00096 -0.00037 0.00996 -0.00757 22 8D-2 0.00096 0.00238 0.00387 0.00005 0.00639 23 2 Cu 1S 0.00148 -0.00002 0.00001 0.00041 -0.00947 24 2S 0.01581 -0.00145 0.00155 0.00415 -0.06288 25 3S 0.02532 -0.05362 -0.07105 -0.01058 -0.19882 26 4PX 0.00213 -0.00066 0.03580 0.02871 0.03566 27 4PY -0.01998 -0.00241 -0.05322 -0.04691 -0.00929 28 4PZ -0.01034 0.00260 -0.04832 -0.04022 -0.05232 29 5PX -0.03680 -0.00012 -0.39449 -0.30291 -0.32001 30 5PY 0.17280 -0.02464 0.57348 0.49746 0.07453 31 5PZ 0.06583 0.02604 0.51141 0.42144 0.68949 32 6PX -0.77106 1.22132 0.62918 0.49414 0.31730 33 6PY 1.01485 10.07045 -0.97779 -0.76329 0.35567 34 6PZ 1.05818 -10.85834 -0.88545 -0.71747 -0.84527 35 7D 0 0.00936 -0.00872 -0.01184 0.04206 0.02375 36 7D+1 -0.00964 -0.01233 0.02766 -0.00345 0.03945 37 7D-1 0.00499 0.00096 0.01269 0.02020 -0.03773 38 7D+2 0.01258 -0.00171 -0.04055 0.00246 -0.00177 39 7D-2 -0.00927 0.01238 0.01075 0.02614 0.02594 40 8D 0 0.00129 0.00160 0.00093 0.00637 0.00392 41 8D+1 -0.00340 0.00237 0.00602 0.00120 0.00767 42 8D-1 -0.00010 -0.00015 0.00334 0.00487 -0.00323 43 8D+2 0.00440 0.00043 -0.00858 -0.00185 0.00312 44 8D-2 -0.00053 -0.00240 0.00513 0.00518 -0.00398 45 3 Cu 1S 0.00266 0.00001 0.00001 -0.00002 -0.01271 46 2S 0.01934 0.00012 -0.00382 -0.00017 -0.07683 47 3S 0.00172 0.00305 -0.03780 0.00705 -0.07521 48 4PX 0.01426 -0.00302 -0.04559 -0.00136 0.02583 49 4PY -0.01779 -0.00160 0.07233 0.00668 -0.05250 50 4PZ -0.03234 -0.00034 0.06258 0.00494 -0.02011 51 5PX -0.12237 -0.03201 0.48045 0.01722 -0.25865 52 5PY 0.16149 -0.01700 -0.76069 -0.07059 0.52820 53 5PZ 0.22830 -0.00390 -0.66239 -0.05204 0.32376 54 6PX -1.93863 12.99720 -0.80757 0.01158 0.26960 55 6PY 3.13178 6.88301 1.27866 0.13938 -0.67758 56 6PZ 2.54394 1.54562 1.10486 0.09631 -0.19852 57 7D 0 -0.00696 0.00278 -0.04430 0.00230 0.00151 58 7D+1 -0.00002 0.01412 0.01113 0.02570 0.02625 59 7D-1 0.00267 0.00616 -0.01397 0.01744 -0.02734 60 7D+2 -0.00852 0.00829 -0.01082 -0.03930 0.04290 61 7D-2 -0.01140 -0.00755 -0.01888 0.02065 0.06838 62 8D 0 -0.00598 -0.00057 -0.01138 -0.00023 -0.00428 63 8D+1 0.00164 -0.00277 0.00313 0.00318 0.00396 64 8D-1 -0.00141 -0.00121 -0.00330 0.00203 -0.00195 65 8D+2 -0.00336 -0.00160 -0.00296 -0.00503 0.00519 66 8D-2 -0.00390 0.00149 -0.00425 0.00228 0.00728 67 4 Cu 1S 0.00112 0.00003 -0.00008 -0.00047 -0.00842 68 2S 0.01460 0.00136 0.00144 -0.00408 -0.05802 69 3S 0.03728 0.04963 -0.08073 0.02238 -0.24707 70 4PX 0.01323 -0.00184 0.03690 -0.02433 -0.00247 71 4PY -0.00981 0.00113 -0.06181 0.03689 -0.02570 72 4PZ -0.00516 -0.00300 -0.05415 0.03191 -0.05806 73 5PX -0.10962 -0.01540 -0.38997 0.25742 -0.00216 74 5PY 0.10181 0.01616 0.67600 -0.39126 0.19981 75 5PZ 0.02787 -0.02726 0.57545 -0.33294 0.74496 76 6PX -0.25025 6.90259 0.69238 -0.38791 -0.32500 77 6PY 0.48148 -5.76640 -1.10490 0.60190 0.14751 78 6PZ 0.54874 11.83072 -0.99450 0.57452 -0.92620 79 7D 0 0.01251 0.00413 -0.01588 -0.04079 0.01312 80 7D+1 -0.00340 -0.01068 -0.02150 0.01854 0.00078 81 7D-1 0.01115 -0.01098 -0.02028 -0.01034 -0.05090 82 7D+2 -0.01149 -0.01167 0.03165 -0.02316 0.01465 83 7D-2 0.00619 -0.00009 -0.02629 -0.01594 0.01990 84 8D 0 0.00288 -0.00073 -0.00062 -0.00511 0.00066 85 8D+1 0.00084 0.00204 -0.00569 0.00445 -0.00546 86 8D-1 0.00294 0.00207 -0.00509 -0.00090 -0.00662 87 8D+2 -0.00096 0.00228 0.00983 -0.00529 -0.00572 88 8D-2 0.00291 -0.00007 -0.00482 -0.00131 0.00424 89 5 Cu 1S -0.00131 0.00002 0.00030 -0.00036 -0.00257 90 2S 0.00043 0.00021 0.00151 0.00023 -0.03282 91 3S 0.10871 0.01350 -0.00013 -0.06573 -0.66341 92 4PX -0.01242 0.00201 -0.01686 0.04144 0.03027 93 4PY 0.00939 0.00280 0.02803 -0.06610 -0.01472 94 4PZ 0.00810 -0.00138 0.02543 -0.06048 -0.03078 95 5PX 0.07327 0.02251 0.17956 -0.43313 -0.39735 96 5PY -0.05256 0.02356 -0.29784 0.70991 0.15097 97 5PZ -0.09070 -0.01415 -0.27427 0.65847 0.36205 98 6PX 1.67505 -8.83684 -0.29919 0.78552 0.47850 99 6PY -2.87404 -10.59503 0.52822 -1.24187 0.35392 100 6PZ -2.56260 5.76604 0.44973 -1.08075 0.13410 101 7D 0 0.00519 -0.00941 0.03594 -0.02809 -0.00090 102 7D+1 -0.00801 0.00305 -0.02374 -0.01708 0.03250 103 7D-1 0.00479 0.01166 0.00021 -0.02139 0.00100 104 7D+2 0.00488 0.01071 0.03385 0.02354 0.02375 105 7D-2 0.00285 0.00771 0.00566 -0.02949 -0.01938 106 8D 0 -0.00276 0.00180 0.00689 -0.00955 0.00323 107 8D+1 -0.00172 -0.00058 -0.00254 -0.00273 0.01081 108 8D-1 -0.00269 -0.00212 0.00150 -0.00615 0.00880 109 8D+2 0.00236 -0.00204 0.00371 0.00433 0.00706 110 8D-2 -0.00323 -0.00141 0.00238 -0.00749 -0.00951 111 6 Cu 1S -0.00015 0.00000 -0.00104 0.00013 0.01090 112 2S -0.04147 0.00001 -0.00758 0.00120 0.21629 113 3S 0.05403 -0.00085 0.16536 -0.02098 3.84304 114 4PX -0.00580 0.00004 0.00141 -0.00299 -0.01381 115 4PY 0.01022 0.00002 -0.00335 -0.00122 0.01991 116 4PZ -0.01348 0.00003 0.00054 -0.00018 0.06255 117 5PX 0.07480 0.00030 0.00239 0.05662 0.26362 118 5PY -0.12719 0.00038 0.01615 0.03372 -0.39985 119 5PZ 0.09265 -0.00009 -0.04323 0.00713 -0.77733 120 6PX -2.74299 0.04549 -0.02856 -0.16838 -0.19149 121 6PY 4.85112 0.02496 0.01789 -0.10032 0.21184 122 6PZ -6.71622 0.00402 0.08975 -0.02435 2.28536 123 7D 0 -0.00012 0.00000 -0.05757 0.01052 -0.05240 124 7D+1 0.00906 -0.00012 -0.01196 0.07269 -0.02048 125 7D-1 -0.01425 -0.00007 0.04655 0.03618 0.03403 126 7D+2 0.00846 -0.00008 0.03495 0.04099 -0.03506 127 7D-2 0.01754 0.00009 0.05094 -0.03196 -0.06988 128 8D 0 0.00223 0.00000 -0.01178 0.00212 -0.01655 129 8D+1 0.00131 -0.00001 -0.00333 0.01462 -0.01335 130 8D-1 -0.00225 -0.00001 0.01098 0.00703 0.02167 131 8D+2 0.00210 -0.00002 0.00690 0.00896 -0.01523 132 8D-2 0.00429 0.00003 0.00953 -0.00655 -0.03080 133 7 Cu 1S 0.00057 0.00000 0.00038 -0.00004 -0.00441 134 2S -0.01280 -0.00001 0.00231 -0.00030 -0.05465 135 3S -0.35392 -0.00017 0.02979 -0.00809 -1.56886 136 4PX -0.00144 0.00009 0.00016 -0.00059 0.00093 137 4PY 0.00087 0.00005 -0.00075 -0.00018 -0.00256 138 4PZ 0.03098 0.00003 0.00099 -0.00005 0.02302 139 5PX -0.01505 -0.00048 0.00137 0.00732 -0.08047 140 5PY 0.03673 -0.00015 0.00305 0.00400 0.13943 141 5PZ -0.24291 -0.00027 -0.01422 0.00137 -0.17070 142 6PX 2.17694 0.04834 -0.00445 0.08855 -0.28786 143 6PY -3.93855 0.02488 0.00869 0.04920 0.44380 144 6PZ 7.31550 0.00710 -0.02001 0.01460 0.71623 145 7D 0 -0.03659 0.00005 0.05885 -0.01100 0.02586 146 7D+1 0.00307 0.00021 0.01291 -0.07571 -0.04048 147 7D-1 -0.00351 0.00010 -0.04875 -0.03703 0.06335 148 7D+2 -0.01300 -0.00004 -0.03807 -0.04743 -0.01267 149 7D-2 -0.02462 -0.00005 -0.05568 0.03639 -0.02834 150 8D 0 -0.00173 0.00002 0.01505 -0.00282 0.00377 151 8D+1 -0.00159 0.00007 0.00300 -0.01924 -0.01056 152 8D-1 0.00252 0.00003 -0.01192 -0.00947 0.01663 153 8D+2 -0.00161 0.00003 -0.00974 -0.01201 -0.00473 154 8D-2 -0.00321 -0.00004 -0.01438 0.00928 -0.01011 155 8 C 1S -0.00095 -0.00001 0.00010 0.00001 0.07954 156 2S -0.01390 0.00002 -0.00414 0.00033 -0.16079 157 3S 0.13846 0.00008 0.00931 -0.00054 -1.24616 158 4PX -0.01017 0.00054 0.00064 0.02512 0.05219 159 4PY 0.01248 0.00029 0.00544 0.01436 -0.08633 160 4PZ 0.09080 0.00015 -0.02178 0.00360 0.02343 161 5PX 0.07737 0.00020 0.03219 -0.01061 0.19288 162 5PY -0.13156 0.00033 -0.05850 0.00306 -0.30703 163 5PZ 0.07847 0.00020 -0.00862 0.00267 -0.18863 164 9 O 1S -0.01633 0.00000 0.00100 -0.00018 -0.01219 165 2S 0.05392 -0.00001 -0.00004 0.00034 0.03952 166 3S 0.03565 0.00005 -0.03008 0.00347 0.06810 167 4PX 0.02039 -0.00051 0.00360 -0.01364 -0.04629 168 4PY -0.03512 -0.00026 -0.01101 -0.00667 0.07873 169 4PZ 0.02349 -0.00014 0.01196 -0.00116 -0.05733 170 5PX 0.02732 -0.00035 0.00143 -0.01071 -0.07957 171 5PY -0.04458 -0.00019 -0.00295 -0.00581 0.12899 172 5PZ -0.01095 -0.00012 0.01091 -0.00277 0.03099 111 112 113 114 115 V V V V V EIGENVALUES -- 0.18594 0.18841 0.21218 0.24382 0.24592 1 1 Cu 1S -0.00595 -0.00349 0.00341 -0.00559 -0.00073 2 2S -0.02239 -0.00766 0.01644 0.06338 0.01144 3 3S -0.48112 0.33100 -1.30928 5.08933 0.57047 4 4PX 0.04967 -0.05738 -0.01204 -0.02732 0.00115 5 4PY 0.00131 0.00615 -0.00420 -0.03211 0.00394 6 4PZ 0.01442 -0.03772 -0.01795 0.05376 0.02022 7 5PX -0.74519 0.87803 0.04575 0.74975 -0.31916 8 5PY -0.00758 -0.07603 0.07910 0.77120 -0.14095 9 5PZ -0.18067 0.51635 0.54417 -1.33336 -0.69231 10 6PX 1.07606 -1.35063 -0.10939 -0.05348 -0.31868 11 6PY 0.45210 0.65704 -1.09933 1.10089 0.28077 12 6PZ 0.56932 -1.00844 -0.57279 0.16763 0.14565 13 7D 0 0.02129 -0.02831 -0.02093 0.03513 0.05341 14 7D+1 0.07970 0.04700 -0.03380 -0.01010 -0.00681 15 7D-1 -0.03843 0.01008 0.01364 -0.05388 -0.02687 16 7D+2 0.04205 0.07167 -0.02079 0.04303 0.00840 17 7D-2 -0.00034 0.04845 -0.00079 0.03589 -0.02681 18 8D 0 0.00559 -0.00905 -0.01580 0.00960 0.02106 19 8D+1 0.02986 0.01141 0.01441 0.00211 0.00541 20 8D-1 -0.00995 0.00810 -0.00401 -0.01789 -0.01375 21 8D+2 0.00994 0.02267 -0.01295 0.01684 -0.00096 22 8D-2 -0.00321 0.01471 0.00740 0.01517 -0.01541 23 2 Cu 1S 0.00122 -0.00529 0.00758 -0.00008 0.00463 24 2S -0.01103 -0.01117 0.03186 -0.06710 -0.06306 25 3S -0.90637 0.58412 -0.92465 -3.91946 -4.87818 26 4PX 0.00185 0.00098 -0.01116 0.03317 0.05542 27 4PY -0.05742 -0.01926 0.03881 0.03681 0.02980 28 4PZ 0.04089 0.03217 -0.00442 0.04257 0.01105 29 5PX -0.06990 0.07693 0.05874 -0.81382 -1.43218 30 5PY 0.84649 0.27168 -0.67463 -0.77034 -0.87005 31 5PZ -0.60549 -0.47336 0.06399 -1.18034 -0.10882 32 6PX -0.44131 0.45348 -0.31478 -1.16785 -0.64582 33 6PY -1.44472 -0.01866 0.81654 0.73949 -0.24446 34 6PZ 0.95622 1.27323 -0.11309 0.37424 -0.27331 35 7D 0 -0.03532 0.01471 -0.00985 -0.03972 0.02324 36 7D+1 -0.02542 -0.02137 -0.00521 -0.07325 -0.00302 37 7D-1 0.02956 -0.11296 -0.03663 0.00701 0.03383 38 7D+2 0.01142 -0.02927 0.02904 0.03305 -0.01050 39 7D-2 0.03853 0.03639 -0.05168 -0.05818 -0.06803 40 8D 0 -0.01114 0.00321 0.00600 -0.01408 0.01111 41 8D+1 -0.00865 -0.01151 0.00448 -0.02696 0.00393 42 8D-1 0.00917 -0.03148 -0.01557 0.00528 0.01448 43 8D+2 0.00288 -0.01036 0.00475 0.00611 -0.00432 44 8D-2 0.01739 0.00701 -0.00110 -0.01371 -0.02442 45 3 Cu 1S 0.00498 0.00057 0.00866 -0.00020 -0.00158 46 2S -0.00621 0.00134 0.03908 0.01337 0.11714 47 3S -1.17234 -0.06016 -0.38996 0.81148 7.05338 48 4PX 0.01290 -0.08015 -0.02247 0.01784 -0.01701 49 4PY -0.00761 -0.04199 0.03155 0.01333 0.04541 50 4PZ -0.01278 -0.00996 0.01905 -0.00900 -0.08416 51 5PX -0.20110 1.18891 0.40881 -0.62153 0.48212 52 5PY 0.14244 0.63434 -0.56438 -0.42815 -1.08001 53 5PZ 0.14026 0.14380 -0.41215 0.19675 2.07052 54 6PX 0.15700 -1.95848 -0.62892 0.13064 0.44264 55 6PY 0.26975 -1.02239 0.83708 -0.13013 -0.91432 56 6PZ -0.95651 -0.32577 0.95195 0.04729 0.67891 57 7D 0 0.04955 0.01620 -0.09618 -0.00059 0.02642 58 7D+1 -0.02182 0.04926 0.03267 -0.03790 0.04541 59 7D-1 -0.00588 0.02411 -0.02187 -0.02455 -0.06370 60 7D+2 -0.04803 0.02804 -0.00801 -0.01601 0.03056 61 7D-2 -0.06572 -0.03861 -0.00932 0.02949 0.04757 62 8D 0 0.01752 0.00594 -0.02288 -0.00161 0.00759 63 8D+1 -0.00536 0.01875 0.01148 -0.01588 0.01913 64 8D-1 -0.00559 0.00854 -0.00951 -0.00987 -0.02300 65 8D+2 -0.01463 0.00979 0.00222 -0.00886 0.01381 66 8D-2 -0.01865 -0.01256 0.00558 0.01251 0.01969 67 4 Cu 1S 0.00016 0.00557 0.00707 0.00092 0.00631 68 2S -0.01222 0.01238 0.03009 0.04783 -0.08666 69 3S -0.83160 -0.57275 -1.03651 2.62970 -6.71927 70 4PX 0.03918 -0.00093 -0.02448 0.04159 -0.07054 71 4PY -0.03989 0.00882 0.02825 0.00026 -0.04856 72 4PZ 0.04908 -0.02121 -0.01023 -0.03355 0.00342 73 5PX -0.55829 0.05238 0.49958 -0.92539 1.80401 74 5PY 0.62363 -0.04609 -0.34544 -0.10059 1.21700 75 5PZ -0.71208 0.32627 0.20515 1.00220 0.00522 76 6PX 1.17813 0.69519 -0.32724 0.20755 0.85303 77 6PY -0.62919 0.35071 0.61946 -1.27161 0.50341 78 6PZ 1.29188 -0.89554 -0.33277 -0.58995 -0.28261 79 7D 0 -0.02268 -0.04469 -0.00448 0.02203 0.01458 80 7D+1 0.02221 -0.09990 0.01204 -0.04623 -0.04786 81 7D-1 0.03469 0.06778 -0.00654 -0.07186 0.04057 82 7D+2 0.03891 -0.01250 -0.05917 0.05927 -0.03740 83 7D-2 0.01447 0.01534 0.00491 -0.00470 -0.05288 84 8D 0 -0.00635 -0.01367 0.00716 0.00735 0.00452 85 8D+1 0.00838 -0.02964 0.00451 -0.01686 -0.02144 86 8D-1 0.01126 0.01511 -0.01301 -0.02630 0.01455 87 8D+2 0.01758 -0.00051 -0.00234 0.01163 -0.01143 88 8D-2 0.00508 0.00874 0.00482 0.00155 -0.01779 89 5 Cu 1S -0.00653 0.00274 0.00287 0.00476 -0.00276 90 2S -0.02305 0.00610 0.01439 -0.05927 0.05625 91 3S -0.45765 -0.23652 -1.30561 -4.62766 3.66456 92 4PX -0.02535 -0.04056 0.01233 -0.03108 0.02311 93 4PY -0.03358 -0.05943 0.00273 0.00204 -0.00840 94 4PZ 0.00022 0.03087 -0.01575 -0.05299 0.04473 95 5PX 0.36638 0.61504 -0.17734 0.83229 -0.37298 96 5PY 0.50898 0.88673 0.07243 0.07015 0.39815 97 5PZ 0.02922 -0.42145 0.53768 1.29354 -1.23327 98 6PX -0.97004 -0.66069 1.10027 0.81009 -0.37585 99 6PY -0.45857 -1.65263 -0.68342 -0.48419 0.42612 100 6PZ 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-0.12304 0.10566 10 6PX -0.07428 -0.18204 -0.20698 0.35777 -0.29460 11 6PY -0.39035 -0.30334 0.69991 -0.74985 0.29551 12 6PZ 0.30324 0.41394 0.49888 -0.27898 0.25416 13 7D 0 0.02940 -0.01088 -0.00638 0.01816 0.00005 14 7D+1 0.03436 0.03450 0.01565 -0.01961 -0.02392 15 7D-1 -0.04968 -0.00236 -0.01028 0.01704 0.01681 16 7D+2 -0.02497 0.05268 -0.02136 -0.00966 0.00059 17 7D-2 -0.02978 0.04099 -0.00001 -0.00312 -0.00998 18 8D 0 0.01200 0.00378 -0.01161 -0.00854 -0.01067 19 8D+1 0.01044 -0.01611 0.01139 -0.01147 0.03580 20 8D-1 0.00990 0.02968 0.00112 0.00209 -0.03197 21 8D+2 -0.00001 0.01851 0.00374 0.01097 -0.01818 22 8D-2 -0.02182 -0.00872 0.01427 0.00432 0.01764 23 2 Cu 1S -0.02451 -0.00263 -0.00140 -0.01501 0.00613 24 2S -0.23366 0.00468 0.01144 0.02742 0.01784 25 3S -4.53448 0.13711 0.63644 2.94520 -0.07737 26 4PX 0.07584 0.00241 -0.00479 -0.02549 -0.00405 27 4PY 0.02131 0.00637 -0.00711 -0.00214 0.00365 28 4PZ 0.01457 -0.00827 0.00195 -0.00892 -0.00043 29 5PX -1.99200 0.22764 0.25839 0.99348 -0.00696 30 5PY -0.77289 -1.03269 -0.18557 -0.01429 0.11076 31 5PZ -0.15497 0.35733 0.26308 0.05408 0.15232 32 6PX -0.66635 -0.07215 0.08699 0.57263 -0.00747 33 6PY -0.26343 -0.00819 -0.49696 -0.92260 0.09807 34 6PZ -0.30046 0.10777 -0.22535 -0.83319 -0.08431 35 7D 0 0.02038 0.02231 0.00668 -0.01976 0.00513 36 7D+1 0.04805 -0.00491 -0.00915 -0.01118 -0.00967 37 7D-1 -0.00588 -0.05109 0.03318 0.00845 0.01547 38 7D+2 0.00156 0.02232 0.02520 0.02478 -0.00980 39 7D-2 0.00749 -0.07049 -0.00925 -0.03300 -0.01752 40 8D 0 0.01180 -0.00471 -0.00268 -0.00177 -0.00307 41 8D+1 -0.01129 0.00607 0.01935 -0.00014 0.02323 42 8D-1 0.00077 -0.00066 -0.01310 -0.00387 -0.00937 43 8D+2 -0.01654 0.01249 -0.00431 0.00021 0.00812 44 8D-2 -0.02164 -0.02497 -0.01246 0.01175 0.03707 45 3 Cu 1S 0.00300 0.00691 -0.00847 0.00106 0.00644 46 2S 0.02827 0.12367 0.06334 -0.00621 0.01676 47 3S 0.55767 2.98525 3.74288 -0.40279 0.07473 48 4PX 0.02068 -0.01334 -0.01001 0.00654 -0.00198 49 4PY 0.01854 0.02914 0.02603 -0.00019 0.00337 50 4PZ -0.00423 -0.02923 -0.02625 0.00324 -0.00078 51 5PX -1.26473 0.71792 0.47775 0.24043 -0.04570 52 5PY -0.85941 -1.22995 -0.98444 0.25438 0.05313 53 5PZ 0.02588 0.48553 0.76476 -0.03823 0.18555 54 6PX 0.03806 0.05674 0.62738 0.00133 0.11213 55 6PY -0.03656 -0.15401 -0.97652 0.14845 -0.20738 56 6PZ 0.08300 0.31130 -0.80642 0.08576 -0.15024 57 7D 0 -0.01707 -0.09523 -0.01312 0.00689 -0.00104 58 7D+1 -0.07213 0.01836 0.00256 0.01576 -0.01404 59 7D-1 -0.02966 0.00929 -0.00872 0.01159 0.02704 60 7D+2 -0.04043 -0.01326 -0.03826 -0.00882 -0.00118 61 7D-2 0.03470 -0.02476 -0.05276 0.00847 -0.00716 62 8D 0 -0.00192 -0.00388 0.00205 -0.00026 0.02052 63 8D+1 -0.01612 0.00960 0.00664 0.00495 0.01537 64 8D-1 -0.01006 -0.01712 -0.00875 0.00020 -0.03625 65 8D+2 -0.01314 -0.00889 0.01010 0.01865 0.00423 66 8D-2 0.01115 -0.01275 0.01206 -0.01473 0.01364 67 4 Cu 1S 0.02581 -0.00506 0.00190 0.01733 0.00505 68 2S 0.24637 -0.02966 0.00467 -0.01797 0.01647 69 3S 4.73955 -0.70870 -0.05493 -2.76849 -0.10994 70 4PX 0.06200 -0.01395 0.00383 -0.01650 -0.00095 71 4PY 0.05577 -0.00701 -0.00517 -0.01717 0.00563 72 4PZ -0.00317 -0.00930 0.00424 0.00351 0.00000 73 5PX -1.68765 0.91415 0.08516 0.46579 -0.10891 74 5PY -1.38391 -0.55480 -0.14412 0.81257 0.05986 75 5PZ -0.02397 0.44135 0.23670 0.08942 0.14155 76 6PX -0.67261 0.10842 0.30917 -0.66524 -0.09766 77 6PY -0.43773 0.11530 -0.16110 0.91285 0.13867 78 6PZ 0.14362 0.11161 -0.04305 0.85465 -0.04287 79 7D 0 -0.00014 0.03118 0.00651 0.01200 0.00223 80 7D+1 0.01175 0.01877 -0.02437 0.00514 -0.01307 81 7D-1 0.03601 -0.03070 0.02630 -0.02584 0.01319 82 7D+2 -0.01880 -0.07534 -0.00209 0.03853 -0.01086 83 7D-2 -0.01655 -0.00369 0.01430 -0.00784 -0.01607 84 8D 0 -0.01357 -0.00461 -0.00576 0.00422 -0.00460 85 8D+1 0.00025 -0.00628 -0.00221 -0.00542 0.00489 86 8D-1 -0.00811 0.00070 -0.02159 0.00392 -0.02172 87 8D+2 0.01111 -0.02972 -0.01345 -0.00559 0.03168 88 8D-2 0.02602 -0.00093 -0.00469 -0.00286 0.02457 89 5 Cu 1S 0.01224 -0.01783 0.02723 0.01219 -0.00723 90 2S 0.11568 -0.19495 0.03993 0.02358 -0.00424 91 3S 2.07965 -4.17179 -1.46570 -0.33869 -0.21509 92 4PX 0.03831 -0.03905 -0.01106 0.00146 0.00073 93 4PY 0.01158 0.00829 0.00421 0.00780 0.00290 94 4PZ 0.01927 -0.05895 -0.00008 0.00068 0.00359 95 5PX -1.41387 1.05737 0.08943 0.09991 -0.12262 96 5PY -0.80581 -0.78346 0.11223 0.18461 0.13334 97 5PZ -0.24062 1.40131 0.48859 0.09082 0.09872 98 6PX -0.20328 0.30196 -0.62490 -0.34367 -0.15572 99 6PY 0.16369 -0.05404 0.62714 0.55667 0.38673 100 6PZ -0.26877 0.48021 0.44985 0.16771 0.30740 101 7D 0 -0.03190 -0.01701 -0.01225 -0.01751 0.00698 102 7D+1 -0.00023 -0.00130 0.00375 0.00954 -0.00293 103 7D-1 0.06381 -0.02715 -0.02358 -0.01274 0.02827 104 7D+2 0.03496 0.01478 0.00520 -0.00194 -0.00636 105 7D-2 0.02746 0.06736 -0.01256 0.01272 -0.00918 106 8D 0 -0.00830 0.00497 -0.01422 0.00536 -0.01897 107 8D+1 0.01705 -0.02073 -0.00022 -0.00603 0.01387 108 8D-1 0.00777 0.03129 -0.01067 -0.01448 -0.04817 109 8D+2 0.01698 -0.01093 0.01187 -0.00359 0.01679 110 8D-2 0.00703 0.00901 0.00956 -0.00849 -0.00116 111 6 Cu 1S 0.00033 0.00521 0.00952 0.00021 -0.06685 112 2S 0.00225 0.04336 0.01207 0.00054 -0.21627 113 3S 0.02655 -0.58489 -0.20356 -0.01697 2.81712 114 4PX 0.07292 -0.05828 -0.01719 -0.03864 0.02504 115 4PY 0.04422 0.09686 0.03051 -0.02303 -0.03998 116 4PZ 0.00140 -0.02395 -0.03618 -0.00130 -0.02696 117 5PX -2.39684 1.28046 0.67880 1.55223 0.04625 118 5PY -1.44231 -2.16013 -1.20769 0.92597 -0.07987 119 5PZ -0.04197 1.27344 1.43253 0.05155 0.10861 120 6PX -0.34021 0.54293 0.93014 3.50079 0.29893 121 6PY -0.20770 -0.89780 -1.73744 2.11214 -0.52206 122 6PZ -0.00696 0.14756 3.20833 0.11948 0.77930 123 7D 0 -0.00286 0.06127 -0.00301 -0.00032 0.02102 124 7D+1 -0.06981 -0.01444 0.01090 -0.00233 0.07555 125 7D-1 -0.04497 0.02051 -0.01693 -0.00113 -0.12021 126 7D+2 0.10050 0.01358 0.00634 -0.00349 0.04856 127 7D-2 -0.04968 0.02473 0.01335 0.00211 0.10147 128 8D 0 -0.00054 0.02211 -0.02443 -0.00072 -0.03325 129 8D+1 -0.01445 -0.00420 0.00165 -0.01345 -0.12457 130 8D-1 -0.00987 0.00593 -0.00219 -0.00973 0.19801 131 8D+2 0.02498 0.00870 -0.01553 0.03797 -0.08164 132 8D-2 -0.01192 0.01674 -0.02936 -0.01957 -0.17040 133 7 Cu 1S -0.00027 0.02015 -0.00562 -0.00008 0.01958 134 2S -0.00205 0.25122 -0.04347 -0.00037 -0.02811 135 3S -0.04290 6.65018 -1.01595 -0.00913 -1.60354 136 4PX 0.03432 -0.04740 0.00766 0.00033 0.01042 137 4PY 0.02032 0.07590 -0.01207 0.00006 -0.01633 138 4PZ 0.00042 0.04360 -0.01075 -0.00006 -0.01798 139 5PX -1.82132 1.45055 -0.00040 0.39504 -0.24938 140 5PY -1.09528 -2.36232 -0.03461 0.23910 0.39127 141 5PZ -0.03369 -0.31121 0.62433 0.01547 0.39958 142 6PX -0.39885 0.52456 -0.60116 -1.65263 -0.14373 143 6PY -0.23747 -0.83924 1.07169 -0.99320 0.25713 144 6PZ -0.00473 -0.50574 -1.21368 -0.05407 -0.49285 145 7D 0 0.00329 -0.09112 -0.03370 -0.00118 -0.00836 146 7D+1 0.08050 -0.00430 0.00392 -0.02505 0.03750 147 7D-1 0.05173 0.01085 -0.00264 -0.01590 -0.05969 148 7D+2 -0.10878 -0.03395 -0.00041 0.01207 0.01863 149 7D-2 0.05393 -0.06658 -0.00104 -0.00598 0.03945 150 8D 0 0.00076 -0.01437 -0.00559 -0.00037 0.01110 151 8D+1 0.01589 0.00284 -0.00065 -0.00054 -0.04438 152 8D-1 0.01010 -0.00428 0.00023 -0.00021 0.07065 153 8D+2 -0.02239 -0.00379 -0.00527 0.00650 -0.02134 154 8D-2 0.01112 -0.00715 -0.00942 -0.00307 -0.04524 155 8 C 1S -0.00019 0.03940 0.02882 0.00025 0.03368 156 2S -0.00015 -0.02279 -0.05745 -0.00056 -0.16835 157 3S 0.00773 -1.34557 -0.69750 -0.00522 -2.12442 158 4PX 0.23253 -0.03960 0.01905 0.70315 -0.55760 159 4PY 0.14112 0.07833 -0.07764 0.42591 0.91386 160 4PZ 0.00490 -0.29359 0.76739 0.02508 0.11593 161 5PX 0.16786 -0.33631 -0.36927 -1.72275 0.27497 162 5PY 0.11131 0.55572 0.72009 -1.04206 -0.44245 163 5PZ 0.00718 -0.02235 -1.86128 -0.06299 -0.25157 164 9 O 1S -0.00005 -0.04122 -0.02716 -0.00009 -0.08839 165 2S -0.00017 0.07179 0.04955 0.00013 0.24509 166 3S 0.00209 0.67056 0.45510 0.00182 0.82188 167 4PX -0.05088 -0.03843 -0.02559 0.12916 -0.05849 168 4PY -0.03140 0.06111 0.03325 0.07909 0.10170 169 4PZ -0.00139 0.04608 0.14169 0.00457 -0.09762 170 5PX -0.06545 -0.13632 -0.07281 0.12992 -0.72262 171 5PY -0.04057 0.22067 0.11025 0.07909 1.17326 172 5PZ -0.00200 0.08605 0.17752 0.00520 0.34556 126 127 128 129 130 V V V V V EIGENVALUES -- 0.63708 0.63723 0.65197 0.67266 0.67640 1 1 Cu 1S -0.00127 0.01124 0.02420 -0.15305 -0.01147 2 2S -0.00150 0.01776 0.06918 -0.28244 -0.01892 3 3S 0.00521 -0.33128 -0.28235 3.30977 0.22352 4 4PX -0.00018 0.00679 -0.00160 -0.00154 -0.00625 5 4PY 0.00085 -0.00919 -0.00417 0.00357 -0.00596 6 4PZ 0.00043 -0.00904 0.00119 -0.00267 -0.00112 7 5PX 0.00947 -0.12753 -0.09230 0.08763 0.16446 8 5PY -0.02564 0.12910 -0.18589 0.43666 0.18432 9 5PZ -0.00803 0.19461 -0.10606 -0.35252 -0.03918 10 6PX -0.05327 0.04345 -0.41490 0.18160 0.16995 11 6PY 0.04374 -0.11815 0.01640 0.55190 0.09317 12 6PZ 0.03579 0.00059 0.25358 -0.51189 0.10727 13 7D 0 0.18444 -0.06562 -0.01090 -0.00363 0.14719 14 7D+1 0.07119 0.07393 -0.05748 0.01571 0.09831 15 7D-1 0.10973 0.00965 -0.15151 0.00825 -0.07518 16 7D+2 -0.11623 -0.09905 -0.01323 -0.03433 -0.00416 17 7D-2 0.17042 0.01198 0.04198 -0.08877 -0.16675 18 8D 0 -0.26243 0.06983 0.03403 0.00590 -0.20233 19 8D+1 -0.10234 -0.09092 0.09463 0.01074 -0.15787 20 8D-1 -0.15804 -0.00933 0.22762 -0.06326 0.10009 21 8D+2 0.17171 0.11520 0.04185 0.04714 -0.01281 22 8D-2 -0.24407 -0.02126 -0.07728 0.14867 0.22955 23 2 Cu 1S 0.00462 -0.01244 0.06083 0.12074 -0.18396 24 2S 0.00807 -0.01881 0.10124 0.18434 -0.32628 25 3S -0.08203 0.28826 -1.48550 -3.18375 4.16421 26 4PX -0.00271 -0.00587 0.00745 0.00746 -0.00493 27 4PY 0.00552 0.00787 0.00687 0.00094 -0.00441 28 4PZ 0.00437 0.00651 0.00432 0.00800 0.00069 29 5PX 0.02385 0.15201 -0.48524 -0.69103 0.82919 30 5PY -0.09912 -0.13833 -0.08178 -0.12817 0.38476 31 5PZ -0.10740 -0.09676 -0.42180 -0.26930 0.21322 32 6PX -0.02507 -0.03961 -0.19760 -0.34265 0.80070 33 6PY 0.05733 0.12039 0.08231 -0.01497 0.39335 34 6PZ -0.02704 0.11855 -0.43468 -0.26588 0.13979 35 7D 0 -0.21674 0.06532 0.01737 0.16312 0.08090 36 7D+1 0.08236 -0.10477 0.09538 0.08897 0.06045 37 7D-1 -0.05349 -0.02705 0.00007 -0.04288 -0.01099 38 7D+2 -0.08985 0.15288 0.00845 -0.03599 -0.00885 39 7D-2 -0.10490 -0.01262 0.04957 -0.12511 -0.14020 40 8D 0 0.30595 -0.10754 -0.01789 -0.22331 -0.12516 41 8D+1 -0.12801 0.13888 -0.16278 -0.13219 -0.04947 42 8D-1 0.06639 0.02272 -0.02024 0.08362 -0.00430 43 8D+2 0.13873 -0.19864 -0.04191 0.03689 0.04112 44 8D-2 0.13979 0.00295 -0.07038 0.15457 0.23590 45 3 Cu 1S 0.01566 0.00380 0.10489 -0.01377 0.12798 46 2S 0.02589 0.00650 0.15912 -0.02325 0.20429 47 3S -0.31039 -0.06672 -2.61070 0.30846 -3.17104 48 4PX 0.00541 0.00281 0.00034 0.00442 0.00071 49 4PY -0.00915 -0.00360 -0.00480 0.00274 -0.00168 50 4PZ -0.00645 -0.00309 0.01707 -0.00070 0.00219 51 5PX -0.11898 -0.02763 -0.18769 -0.30251 -0.11761 52 5PY 0.19232 0.08217 0.47477 -0.21630 0.35331 53 5PZ 0.05321 0.04502 -0.80284 0.04264 -0.43109 54 6PX 0.07194 0.07312 0.07990 -0.36240 -0.05860 55 6PY -0.13130 -0.02651 -0.11250 -0.21177 0.21698 56 6PZ -0.18911 -0.05769 -0.61477 0.02182 -0.39123 57 7D 0 0.09492 0.07187 0.06600 0.03064 -0.08276 58 7D+1 -0.07819 0.10432 0.02265 0.20317 -0.00840 59 7D-1 -0.01259 0.10301 -0.01965 0.09322 0.07416 60 7D+2 0.13055 -0.19331 0.04326 0.11692 0.05449 61 7D-2 -0.00183 0.14456 0.06465 -0.10809 0.07066 62 8D 0 -0.10869 -0.09097 -0.11575 -0.04220 0.13039 63 8D+1 0.10287 -0.15479 -0.04460 -0.29409 -0.00952 64 8D-1 0.03044 -0.14438 0.06379 -0.14003 -0.07666 65 8D+2 -0.17625 0.28304 -0.04173 -0.16995 -0.09574 66 8D-2 0.01691 -0.20251 -0.06942 0.15492 -0.13564 67 4 Cu 1S -0.00539 0.01051 0.04450 -0.13471 -0.18107 68 2S -0.00700 0.01648 0.07803 -0.21080 -0.32541 69 3S 0.16459 -0.21665 -1.06658 3.44382 4.01888 70 4PX -0.00588 0.00063 -0.00843 0.00773 0.00471 71 4PY 0.00981 -0.00219 -0.00203 0.00643 0.00090 72 4PZ 0.00776 -0.00148 0.00108 -0.00706 0.00241 73 5PX 0.09732 0.01753 0.31573 -0.60824 -0.76423 74 5PY -0.18666 0.07237 0.31415 -0.57429 -0.44282 75 5PZ -0.15185 0.01123 -0.30662 0.17632 0.02664 76 6PX -0.08739 0.04909 0.04528 -0.28942 -0.79244 77 6PY 0.09252 -0.03457 0.28530 -0.35486 -0.43565 78 6PZ 0.05006 -0.07839 -0.33086 0.23755 -0.03293 79 7D 0 -0.08120 -0.23230 -0.03970 -0.11483 0.06024 80 7D+1 0.07002 -0.00175 -0.03484 0.10580 -0.07495 81 7D-1 0.01299 -0.10952 -0.06780 0.13012 -0.06588 82 7D+2 -0.10484 -0.00659 0.04905 0.09845 -0.11699 83 7D-2 0.00989 -0.16123 0.04789 0.03905 -0.05202 84 8D 0 0.11195 0.33711 0.07215 0.15398 -0.10042 85 8D+1 -0.07644 -0.00289 0.07867 -0.13344 0.11409 86 8D-1 -0.01048 0.15666 0.09952 -0.19856 0.05901 87 8D+2 0.12161 0.01517 -0.06269 -0.12782 0.18765 88 8D-2 -0.00443 0.22698 -0.09585 -0.02683 0.11988 89 5 Cu 1S 0.00924 -0.00887 0.03559 0.13635 -0.00732 90 2S 0.01538 -0.01422 0.09307 0.24800 -0.01379 91 3S -0.27716 0.24680 -0.47274 -3.00724 0.09635 92 4PX 0.00361 -0.00435 0.00528 0.00172 0.00776 93 4PY -0.00678 0.00729 -0.00196 -0.00385 0.00236 94 4PZ -0.00649 0.00675 0.00331 0.00251 0.00026 95 5PX -0.03302 0.05414 0.20978 0.26493 -0.19229 96 5PY 0.09634 -0.12291 -0.05328 -0.18291 -0.01156 97 5PZ 0.14623 -0.14445 -0.06264 0.36341 -0.06599 98 6PX 0.05641 -0.06159 0.16368 0.39869 -0.17446 99 6PY -0.02779 0.09905 0.28783 -0.22497 -0.07024 100 6PZ 0.03535 0.00616 0.40688 0.49863 0.06584 101 7D 0 0.02881 0.15627 0.04971 0.00131 0.10667 102 7D+1 -0.11581 -0.09691 0.16193 0.00333 -0.07309 103 7D-1 -0.08121 0.00891 -0.04074 0.01735 -0.13957 104 7D+2 0.19032 0.13005 0.02240 0.06298 -0.16363 105 7D-2 -0.07032 0.03034 0.00577 0.07452 -0.03570 106 8D 0 -0.06060 -0.20330 -0.05791 -0.00141 -0.13893 107 8D+1 0.16189 0.14308 -0.25624 -0.02534 0.11322 108 8D-1 0.10958 -0.00473 0.06428 0.02988 0.20228 109 8D+2 -0.26960 -0.19144 -0.05289 -0.09631 0.22964 110 8D-2 0.08710 -0.02455 0.01026 -0.12379 0.02649 111 6 Cu 1S 0.00335 0.00087 0.00685 0.00161 0.00042 112 2S 0.01204 0.00263 0.05932 -0.00094 -0.01673 113 3S 0.10925 0.01492 1.36737 -0.28485 -2.08476 114 4PX 0.00044 -0.00026 0.01866 0.00983 -0.00624 115 4PY -0.00030 0.00036 -0.03057 0.00853 0.00685 116 4PZ -0.00051 -0.00019 -0.00096 0.00232 0.01298 117 5PX -0.04127 0.01436 -0.61102 -0.40385 0.22340 118 5PY 0.04415 0.00833 0.99857 -0.32495 -0.23060 119 5PZ 0.02861 0.01247 0.02187 -0.08759 -0.41827 120 6PX 0.08572 -0.09401 0.47963 -0.16724 0.14881 121 6PY -0.13379 -0.09206 -0.81384 -0.05301 -0.17834 122 6PZ 0.16892 0.03716 0.44706 -0.04569 -0.06570 123 7D 0 -0.10041 -0.01449 0.10362 -0.01904 -0.07563 124 7D+1 -0.08022 0.12450 -0.11413 -0.06889 -0.00817 125 7D-1 0.07884 0.09439 0.17312 -0.03115 0.06751 126 7D+2 0.03467 0.12493 -0.02088 -0.14300 0.09853 127 7D-2 0.12541 -0.04153 -0.04682 0.10859 0.12022 128 8D 0 0.14892 0.02097 -0.15113 0.03429 0.13191 129 8D+1 0.12204 -0.18475 0.19471 0.13125 0.00092 130 8D-1 -0.12064 -0.14109 -0.29599 0.06587 -0.09955 131 8D+2 -0.04938 -0.18461 0.04520 0.22314 -0.17445 132 8D-2 -0.18204 0.06252 0.09835 -0.17736 -0.22311 133 7 Cu 1S 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0.08816 59 7D-1 -0.13280 0.06283 -0.07269 -0.21819 0.02825 60 7D+2 -0.03573 0.02189 -0.07054 0.01203 -0.02767 61 7D-2 -0.03528 0.00091 -0.10478 0.06855 0.00713 62 8D 0 -0.14943 -0.00468 -0.10950 -0.13133 -0.05911 63 8D+1 -0.09675 -0.07446 -0.05530 -0.13485 -0.15182 64 8D-1 0.23401 -0.07990 0.12257 0.31678 -0.05090 65 8D+2 0.05763 -0.01004 0.10077 -0.01538 0.03575 66 8D-2 0.05105 -0.01496 0.13760 -0.09961 -0.00284 67 4 Cu 1S -0.00211 0.02347 0.01650 -0.04541 -0.03124 68 2S 0.01237 -0.01887 0.03433 -0.06549 0.00199 69 3S 0.15231 -1.24803 0.12013 0.85182 1.50672 70 4PX -0.00088 -0.01774 -0.00001 -0.00144 0.00538 71 4PY -0.00340 -0.00740 0.00395 0.00575 0.01158 72 4PZ 0.00147 0.00138 0.00118 -0.00453 0.00189 73 5PX 0.10015 0.49120 0.22456 -0.00653 -0.44753 74 5PY 0.03369 0.35431 -0.16473 -0.33599 -0.28574 75 5PZ 0.06864 0.06948 0.13927 0.47703 0.03207 76 6PX 0.17671 0.02641 0.11390 -0.03062 0.00855 77 6PY 0.02658 -0.29379 -0.04573 -0.14987 -0.11520 78 6PZ 0.09203 0.04917 0.11492 0.18126 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0.01003 -0.52930 -0.00375 158 4PX -0.26710 0.00355 0.18702 -0.03338 0.04586 159 4PY 0.43501 0.08831 -0.29770 0.05335 0.02723 160 4PZ 0.04526 0.00226 -0.00766 0.04356 0.00107 161 5PX 0.21372 -0.33083 -0.40506 0.05829 -0.33903 162 5PY -0.31857 -0.35350 0.57830 -0.09609 -0.20469 163 5PZ 0.06025 0.05199 -0.39096 -0.00854 -0.01120 164 9 O 1S -0.00301 0.00027 -0.00168 0.00147 0.00005 165 2S 0.05371 0.00644 -0.02634 -0.04790 0.00005 166 3S -0.04517 -0.03063 0.16195 0.13863 -0.00001 167 4PX -0.29285 -0.44436 0.16553 0.10029 -0.37733 168 4PY 0.51877 -0.16762 -0.35530 -0.17251 -0.22855 169 4PZ 0.07253 0.08649 -0.62994 0.14181 -0.01292 170 5PX 0.25954 0.68957 -0.09466 -0.18615 0.63938 171 5PY -0.48743 0.33187 0.29286 0.31816 0.38525 172 5PZ -0.09272 -0.13254 0.97852 -0.22466 0.02170 136 137 138 139 140 V V V V V EIGENVALUES -- 0.74498 0.79120 0.79970 0.85142 0.85710 1 1 Cu 1S 0.00992 0.01914 -0.01254 0.02854 0.04224 2 2S -0.02190 0.03751 -0.02859 0.02665 0.07513 3 3S -0.36446 -0.56684 0.16892 -1.50354 -0.99054 4 4PX 0.00422 0.00178 0.00125 0.01495 0.00903 5 4PY -0.00654 0.00371 -0.00239 -0.00163 0.00755 6 4PZ -0.00881 -0.00322 0.00330 -0.00827 0.00898 7 5PX 0.10105 -0.09983 0.16439 -0.08415 0.03806 8 5PY -0.25427 0.07566 -0.02862 -0.09855 -0.15660 9 5PZ 0.07830 0.25986 -0.06738 0.34280 0.18119 10 6PX -0.02722 0.12956 0.01333 -0.17779 -0.01454 11 6PY -0.16241 -0.07194 -0.00192 -0.06285 -0.23672 12 6PZ -0.05559 -0.06073 0.18293 0.27052 0.10350 13 7D 0 0.01082 0.05319 -0.13572 -0.04593 -0.17311 14 7D+1 -0.13382 -0.04048 0.01053 -0.02887 0.03456 15 7D-1 0.08921 -0.08783 -0.01690 -0.00116 -0.08822 16 7D+2 0.01592 0.17269 -0.05296 -0.01232 0.09592 17 7D-2 -0.09657 -0.00136 -0.07790 0.06089 0.03784 18 8D 0 -0.00541 -0.09036 0.22035 0.06612 0.28009 19 8D+1 0.18631 0.07216 -0.02477 0.03992 -0.06920 20 8D-1 -0.12501 0.14625 0.04063 0.01126 0.18914 21 8D+2 -0.00931 -0.28653 0.08447 0.03594 -0.17118 22 8D-2 0.15018 0.01253 0.14018 -0.08385 -0.04671 23 2 Cu 1S 0.02073 -0.01528 -0.03890 -0.02260 -0.08465 24 2S 0.03355 -0.02868 -0.06072 -0.06729 -0.12851 25 3S -0.05112 0.20443 1.23103 -0.35478 2.48009 26 4PX 0.00018 -0.00282 -0.01035 0.01009 -0.00703 27 4PY 0.00182 -0.00279 -0.00063 -0.00334 -0.00186 28 4PZ -0.00598 0.00458 -0.00012 -0.00942 -0.01013 29 5PX 0.01764 0.07997 0.40817 -0.12281 0.47722 30 5PY -0.24008 -0.06689 -0.05468 0.02087 0.17994 31 5PZ 0.01079 0.13416 -0.05117 0.06195 0.16095 32 6PX -0.02006 -0.06301 -0.04338 -0.12318 0.45680 33 6PY 0.06106 -0.03018 0.22288 0.02941 0.20673 34 6PZ -0.06671 0.12954 0.15366 -0.04669 0.17715 35 7D 0 -0.07463 -0.07194 0.09682 -0.03123 -0.01001 36 7D+1 0.01875 0.08843 0.00785 -0.03712 -0.15390 37 7D-1 0.16065 0.00575 0.15756 0.13344 0.03993 38 7D+2 -0.01347 -0.11713 -0.08963 0.01664 0.06890 39 7D-2 -0.03690 -0.02036 0.02229 -0.01132 -0.10047 40 8D 0 0.11601 0.13791 -0.16665 0.05039 0.00046 41 8D+1 -0.03259 -0.12907 -0.00778 0.06677 0.27348 42 8D-1 -0.24742 -0.00335 -0.26044 -0.24558 -0.09057 43 8D+2 0.02838 0.19799 0.15160 -0.02191 -0.10564 44 8D-2 0.04327 0.02722 -0.03377 0.02518 0.19354 45 3 Cu 1S 0.02991 -0.04206 0.00449 0.03632 0.09047 46 2S 0.06569 -0.06058 0.00610 0.02916 0.15069 47 3S 0.00836 1.39835 -0.17362 -1.72577 -2.19149 48 4PX -0.00129 -0.00430 0.00809 0.00529 0.00016 49 4PY 0.00132 0.01137 0.00285 -0.01346 0.00500 50 4PZ -0.00273 -0.00489 0.00166 -0.00019 0.01287 51 5PX 0.07846 0.18140 0.11900 -0.10848 -0.05916 52 5PY -0.09850 -0.35725 0.11968 0.25692 0.24835 53 5PZ -0.06475 0.24079 -0.00438 -0.24143 -0.39884 54 6PX -0.01090 -0.08865 0.11366 -0.05037 -0.05340 55 6PY 0.00492 0.13530 0.04168 0.18180 0.24396 56 6PZ -0.00220 0.24250 -0.01916 -0.44269 -0.35132 57 7D 0 0.15821 0.14483 -0.02328 0.06898 0.10285 58 7D+1 -0.04890 -0.07828 -0.02688 -0.01338 0.03468 59 7D-1 -0.01151 0.09103 -0.05040 -0.04296 -0.05783 60 7D+2 -0.06223 0.04855 0.12745 -0.04238 0.11056 61 7D-2 -0.09914 0.01740 -0.07810 -0.04929 0.11982 62 8D 0 -0.25085 -0.22445 0.04440 -0.12823 -0.16528 63 8D+1 0.07457 0.13368 0.07369 0.01829 -0.07319 64 8D-1 0.02079 -0.15563 0.09919 0.08246 0.13485 65 8D+2 0.09102 -0.07765 -0.20459 0.07246 -0.18986 66 8D-2 0.14537 -0.02621 0.12055 0.08584 -0.21733 67 4 Cu 1S 0.01910 -0.00794 0.03817 -0.02972 -0.05633 68 2S 0.02571 -0.01798 0.06230 -0.07846 -0.08495 69 3S -0.10231 -0.06306 -1.12364 -0.19442 1.75990 70 4PX -0.00032 0.00143 -0.00672 0.00025 0.00188 71 4PY 0.00024 -0.00127 -0.00672 -0.01014 0.00755 72 4PZ -0.00628 0.00420 -0.00288 -0.00843 -0.01215 73 5PX 0.20915 0.02194 0.13362 0.02199 -0.33839 74 5PY -0.14288 -0.03844 0.35899 0.08599 -0.18868 75 5PZ 0.02877 0.14052 0.10313 0.11320 -0.03582 76 6PX -0.01764 0.07396 0.15303 -0.00260 -0.35197 77 6PY 0.06392 0.00026 -0.15750 0.10772 -0.18234 78 6PZ -0.08024 0.11198 -0.15118 0.00407 0.04860 79 7D 0 -0.10104 -0.10732 -0.04037 -0.02462 0.05004 80 7D+1 -0.11269 0.00096 0.16320 -0.09306 0.03895 81 7D-1 0.08955 -0.08001 -0.03165 0.10542 0.19034 82 7D+2 -0.01704 0.00899 -0.09092 -0.00360 -0.04826 83 7D-2 -0.04052 -0.08345 0.08951 -0.00679 0.02004 84 8D 0 0.15761 0.18912 0.07149 0.04159 -0.10577 85 8D+1 0.17215 -0.02035 -0.26561 0.16960 -0.03769 86 8D-1 -0.13317 0.12203 0.05587 -0.19805 -0.32648 87 8D+2 0.00871 -0.01983 0.15277 0.00190 0.10301 88 8D-2 0.06362 0.14280 -0.15334 0.02335 -0.02334 89 5 Cu 1S 0.00726 0.01990 0.00748 0.04876 0.00008 90 2S -0.02967 0.04112 0.01868 0.06254 0.00456 91 3S -0.33733 -0.51690 -0.06904 -1.94961 0.13033 92 4PX 0.00500 -0.00346 -0.00044 -0.00524 -0.01018 93 4PY -0.00742 0.00116 0.00218 -0.01159 -0.00793 94 4PZ -0.00926 -0.00369 -0.00215 -0.01226 0.00878 95 5PX 0.14909 -0.05417 0.05115 0.13347 -0.11005 96 5PY -0.21504 0.12364 0.12987 -0.01267 -0.12883 97 5PZ 0.07444 0.26371 0.04980 0.41733 0.03995 98 6PX 0.15974 -0.00753 0.03182 0.15388 0.02001 99 6PY -0.10145 -0.11982 0.05276 0.06902 -0.03968 100 6PZ -0.04047 -0.11563 -0.15538 0.37182 -0.04417 101 7D 0 0.04597 0.10482 0.11207 -0.02350 -0.14253 102 7D+1 -0.03500 0.06433 -0.04566 0.05749 0.10246 103 7D-1 0.15750 0.01757 0.00498 -0.00750 0.07886 104 7D+2 -0.07445 -0.07028 0.06874 0.05663 -0.04427 105 7D-2 -0.04154 0.16397 0.05593 0.03045 0.08020 106 8D 0 -0.05398 -0.17623 -0.18230 0.03413 0.22491 107 8D+1 0.05092 -0.10574 0.07914 -0.09765 -0.17987 108 8D-1 -0.21904 -0.03446 -0.01992 0.03184 -0.11015 109 8D+2 0.11131 0.12436 -0.12811 -0.08740 0.11464 110 8D-2 0.07440 -0.26601 -0.09250 -0.03808 -0.12689 111 6 Cu 1S 0.04940 -0.03558 0.00040 -0.10622 0.01686 112 2S 0.15293 -0.05778 0.00091 -0.18358 0.03307 113 3S -1.77640 0.83030 -0.01836 4.55213 -0.78849 114 4PX -0.03511 -0.00079 -0.02226 0.01232 -0.00177 115 4PY 0.05612 0.00279 -0.01337 -0.02007 0.00318 116 4PZ 0.03826 -0.02918 -0.00079 -0.01043 0.00028 117 5PX 0.09623 0.31690 0.94214 0.45511 -0.11240 118 5PY -0.15345 -0.57407 0.56715 -0.71686 0.17467 119 5PZ -0.22599 0.89016 0.03106 -0.39315 0.13522 120 6PX 0.07860 -0.15752 -0.15364 -0.06568 0.00810 121 6PY -0.11485 0.26194 -0.09255 0.07060 0.02185 122 6PZ -0.32394 -0.00060 -0.00675 0.77071 -0.15352 123 7D 0 0.02274 0.19073 0.00662 -0.01489 -0.14998 124 7D+1 0.00387 -0.02855 0.11164 0.04676 0.00945 125 7D-1 -0.00660 0.03593 0.07223 -0.06123 0.17847 126 7D+2 0.00329 0.04938 -0.12997 0.05098 0.13747 127 7D-2 0.00747 0.08946 0.06387 0.09617 0.11663 128 8D 0 0.00599 -0.31069 -0.01084 -0.00420 0.28261 129 8D+1 0.01358 0.03426 -0.18307 -0.14999 -0.00320 130 8D-1 -0.02240 -0.03978 -0.11882 0.21559 -0.35431 131 8D+2 0.02794 -0.08950 0.21733 -0.15124 -0.24897 132 8D-2 0.05426 -0.16406 -0.10650 -0.29570 -0.19368 133 7 Cu 1S -0.04562 0.03819 0.00049 -0.02841 0.01071 134 2S -0.01356 0.03970 0.00079 -0.00859 0.00484 135 3S 2.29883 -1.18194 -0.01725 2.18741 -0.61682 136 4PX -0.00839 0.00656 0.01097 -0.00364 0.00102 137 4PY 0.01392 -0.01138 0.00665 0.00580 -0.00400 138 4PZ 0.00299 0.00364 0.00025 0.00845 -0.00091 139 5PX 0.28161 -0.20224 -0.21613 0.25903 -0.06199 140 5PY -0.45277 0.33933 -0.12816 -0.40996 0.16723 141 5PZ -0.34389 -0.01709 -0.00424 -0.39889 0.07647 142 6PX 0.23357 0.10776 0.56351 0.16013 -0.06014 143 6PY -0.39176 -0.21505 0.34386 -0.23495 0.01028 144 6PZ 0.09297 0.61312 0.01921 -0.37022 0.14388 145 7D 0 0.11424 0.17785 0.00638 0.00485 0.05671 146 7D+1 0.02666 -0.04277 0.10317 0.04530 -0.01773 147 7D-1 -0.04567 0.05892 0.06774 -0.07996 -0.02611 148 7D+2 0.06534 0.04193 -0.13529 0.04994 -0.04237 149 7D-2 0.12468 0.07605 0.06722 0.11247 -0.06383 150 8D 0 -0.16002 -0.25579 -0.00946 0.00416 -0.07283 151 8D+1 -0.05096 0.05972 -0.15477 -0.09165 0.02827 152 8D-1 0.08483 -0.08139 -0.10121 0.15769 0.01309 153 8D+2 -0.09982 -0.05574 0.18840 -0.09749 0.05480 154 8D-2 -0.19103 -0.10071 -0.09323 -0.21619 0.09508 155 8 C 1S 0.04584 0.00965 0.00021 -0.04409 0.01086 156 2S -0.92519 0.29587 -0.00388 1.49650 -0.29944 157 3S 1.13992 -0.45692 0.00524 -2.94661 0.61528 158 4PX 0.02271 0.03483 0.03750 0.17450 -0.03662 159 4PY -0.03099 -0.05802 0.02331 -0.28045 0.06223 160 4PZ -0.12451 -0.00015 0.00111 -0.11015 0.01462 161 5PX -0.08779 -0.09892 -0.79661 0.16001 -0.01846 162 5PY 0.11455 0.21111 -0.48331 -0.27666 0.08831 163 5PZ 0.60258 -0.76889 -0.02689 0.05888 -0.06322 164 9 O 1S -0.01032 -0.00544 -0.00002 0.01052 -0.00360 165 2S 0.02932 0.07810 -0.00010 0.02561 0.00926 166 3S -0.07613 0.00097 -0.00032 0.08554 -0.02686 167 4PX -0.01711 -0.06964 -0.39091 0.16603 -0.02848 168 4PY 0.01220 0.13550 -0.23592 -0.28986 0.08905 169 4PZ 0.32623 -0.30294 -0.01304 0.19832 -0.06560 170 5PX -0.06454 0.17810 0.81081 -0.04374 -0.00635 171 5PY 0.13492 -0.33750 0.49118 0.10471 -0.07813 172 5PZ -0.58093 0.65852 0.02737 -0.40444 0.14440 141 142 143 144 145 V V V V V EIGENVALUES -- 0.85926 0.86382 0.86766 0.87814 0.87923 1 1 Cu 1S -0.08784 0.11615 0.05836 -0.05656 0.04317 2 2S -0.14172 0.19455 0.09445 -0.07594 0.03803 3 3S 2.44178 -2.84159 -1.18457 1.06609 -1.21701 4 4PX 0.00464 0.00062 0.01580 0.00395 0.00683 5 4PY -0.01029 0.00102 0.00377 -0.00807 0.00446 6 4PZ 0.00651 -0.01442 0.00609 0.00636 -0.00854 7 5PX 0.27273 -0.26075 0.00537 0.11327 -0.25300 8 5PY 0.38238 -0.41557 -0.19598 0.22166 -0.21734 9 5PZ -0.22998 0.33988 0.25901 -0.25913 0.24392 10 6PX 0.10976 -0.33134 0.08267 0.40057 0.30672 11 6PY 0.41853 -0.38456 -0.11106 -0.09530 0.18950 12 6PZ -0.31763 0.29595 0.15646 0.29680 0.24122 13 7D 0 -0.02490 0.06652 0.04632 0.06061 0.04900 14 7D+1 -0.19629 0.01114 -0.05179 0.15431 -0.15925 15 7D-1 0.11380 -0.14732 0.05770 -0.11469 0.00061 16 7D+2 0.07184 0.13224 0.00283 0.10318 -0.12186 17 7D-2 -0.07188 0.06435 0.13106 -0.02988 -0.19298 18 8D 0 0.03589 -0.09503 -0.10909 -0.09367 -0.06504 19 8D+1 0.33953 -0.03256 0.06975 -0.27040 0.29067 20 8D-1 -0.21022 0.28430 -0.07648 0.19694 -0.01135 21 8D+2 -0.10913 -0.22849 0.00993 -0.18513 0.20894 22 8D-2 0.16846 -0.14080 -0.21880 0.04691 0.33254 23 2 Cu 1S 0.05128 -0.04771 -0.10434 -0.06968 -0.01517 24 2S 0.08163 -0.08845 -0.17001 -0.08079 -0.02505 25 3S -1.21277 1.17937 2.63748 1.66607 -0.15861 26 4PX 0.00319 -0.00427 -0.01149 -0.01365 0.00129 27 4PY 0.01374 -0.00730 0.00738 0.00182 -0.01062 28 4PZ -0.00722 0.01175 -0.00342 -0.00482 0.00230 29 5PX -0.22229 0.16239 0.52092 0.55265 0.05984 30 5PY 0.01693 -0.04196 0.22714 0.04945 0.00904 31 5PZ -0.22508 0.18935 0.07741 0.13253 0.00452 32 6PX -0.19236 0.33280 0.49615 -0.01979 -0.23875 33 6PY -0.02007 -0.02138 -0.00514 0.04728 -0.45706 34 6PZ -0.08427 0.09365 0.28017 -0.28462 0.30801 35 7D 0 0.05787 0.14398 -0.06870 0.13049 -0.03836 36 7D+1 -0.08664 0.00723 -0.07883 0.08403 -0.06438 37 7D-1 0.03676 0.15459 0.12556 -0.21683 -0.11691 38 7D+2 0.03755 0.01804 -0.14927 -0.04143 0.00067 39 7D-2 0.15150 -0.06676 0.03297 0.08649 0.11894 40 8D 0 -0.12698 -0.23937 0.11127 -0.23082 0.05862 41 8D+1 0.11915 0.03329 0.13654 -0.13746 0.10172 42 8D-1 -0.05069 -0.28296 -0.23168 0.38432 0.20952 43 8D+2 -0.08632 -0.02964 0.26724 0.07191 0.00151 44 8D-2 -0.24382 0.10315 -0.00594 -0.15434 -0.20969 45 3 Cu 1S 0.01686 -0.00420 0.09750 0.01223 -0.10437 46 2S 0.02899 -0.01057 0.17905 0.01556 -0.14440 47 3S -0.35902 0.05825 -2.32411 -0.31882 2.31055 48 4PX -0.01567 0.01291 0.00340 0.00700 -0.00308 49 4PY -0.00640 0.00590 -0.00583 0.00137 0.01025 50 4PZ 0.00088 0.00127 0.00144 0.00184 -0.01157 51 5PX -0.11402 0.15619 -0.07421 -0.07243 0.20038 52 5PY -0.01501 0.08566 0.23189 0.03986 -0.49413 53 5PZ -0.08110 0.02360 -0.33131 -0.06952 0.50799 54 6PX -0.12215 -0.04956 -0.18587 0.51507 0.14455 55 6PY -0.02139 -0.05625 0.40502 0.29956 -0.10198 56 6PZ -0.05790 0.00195 -0.43482 0.06525 -0.11212 57 7D 0 0.02085 0.05003 -0.14315 -0.02464 -0.01534 58 7D+1 -0.00999 0.17073 0.15927 -0.12124 0.03923 59 7D-1 0.00736 0.11252 -0.17411 -0.04634 -0.04056 60 7D+2 -0.12050 -0.05104 0.06298 -0.09766 0.11075 61 7D-2 0.11771 -0.01976 0.14213 0.04747 0.20227 62 8D 0 -0.03980 -0.08218 0.24079 0.03869 0.03265 63 8D+1 -0.02008 -0.26681 -0.29550 0.19606 -0.06411 64 8D-1 -0.02336 -0.18775 0.33697 0.07578 0.05622 65 8D+2 0.20186 0.12233 -0.11934 0.16216 -0.19547 66 8D-2 -0.19546 0.00966 -0.27340 -0.07593 -0.35284 67 4 Cu 1S -0.07456 0.06104 -0.10386 0.06822 0.00189 68 2S -0.11331 0.10556 -0.16758 0.07833 -0.00529 69 3S 2.03383 -1.63803 2.59664 -1.53435 -0.59224 70 4PX 0.01343 -0.00670 0.00079 -0.00828 0.00574 71 4PY -0.00243 -0.00136 0.01417 -0.01049 -0.01055 72 4PZ 0.00562 -0.01353 -0.00357 0.00142 0.00315 73 5PX -0.29777 0.18026 -0.49164 0.35328 0.05116 74 5PY -0.31114 0.23278 -0.30597 0.42089 0.06927 75 5PZ 0.19007 -0.14457 -0.05378 -0.01983 -0.01499 76 6PX -0.30593 0.22659 -0.30365 -0.12920 0.42983 77 6PY -0.23800 0.37214 -0.39173 -0.05519 -0.09179 78 6PZ 0.05452 -0.08345 0.17318 0.18278 0.44791 79 7D 0 -0.06141 -0.10127 -0.07394 -0.13531 -0.03084 80 7D+1 -0.01042 0.16554 -0.00974 -0.14524 0.13735 81 7D-1 -0.02404 -0.07244 0.09627 0.21907 0.03577 82 7D+2 -0.17267 0.02100 0.10557 -0.06442 0.06327 83 7D-2 -0.06564 0.02130 -0.14626 -0.03213 0.02373 84 8D 0 0.11795 0.17946 0.12586 0.24406 0.05098 85 8D+1 0.00874 -0.27262 0.04202 0.26194 -0.23401 86 8D-1 0.00816 0.16934 -0.16848 -0.38297 -0.04774 87 8D+2 0.27815 -0.03009 -0.14152 0.11495 -0.11246 88 8D-2 0.13863 -0.04641 0.27970 0.05789 -0.04181 89 5 Cu 1S 0.09179 -0.12191 0.04426 0.04555 0.05398 90 2S 0.15330 -0.20582 0.07091 0.06334 0.05354 91 3S -2.43959 2.84464 -0.87774 -0.85203 -1.36644 92 4PX -0.00874 0.00038 -0.01308 -0.00203 -0.00653 93 4PY 0.00934 -0.00122 -0.01149 0.00774 0.00012 94 4PZ -0.00237 0.01224 0.00450 -0.00483 -0.01053 95 5PX 0.38872 -0.42698 0.06510 0.13306 0.29902 96 5PY -0.06007 0.07069 -0.13527 -0.07392 0.04628 97 5PZ 0.32516 -0.42757 0.21860 0.23702 0.35174 98 6PX 0.38482 -0.41618 -0.03590 0.27481 -0.31937 99 6PY -0.21085 0.01890 -0.16304 0.44061 -0.07129 100 6PZ 0.35619 -0.37186 0.12863 -0.23847 0.09371 101 7D 0 -0.08045 -0.09413 0.04048 -0.04250 0.07227 102 7D+1 0.03991 -0.10393 -0.02021 0.00283 0.02067 103 7D-1 -0.23571 0.06343 0.05829 0.14916 0.12870 104 7D+2 0.05224 0.01540 0.13051 0.11763 -0.10636 105 7D-2 0.05215 -0.14994 0.02239 -0.06795 -0.23886 106 8D 0 0.13366 0.14872 -0.09569 0.05890 -0.11332 107 8D+1 -0.09504 0.20917 0.04040 -0.00064 -0.04041 108 8D-1 0.42115 -0.13656 -0.06740 -0.25083 -0.24387 109 8D+2 -0.10927 -0.00711 -0.21851 -0.20122 0.18251 110 8D-2 -0.11992 0.27296 -0.02699 0.12616 0.41656 111 6 Cu 1S 0.00544 -0.00474 0.00930 0.00007 -0.01584 112 2S 0.01073 -0.00922 0.02217 -0.00044 -0.01690 113 3S -0.28605 0.26141 -0.51193 -0.01809 0.83369 114 4PX -0.00047 0.00391 -0.00178 -0.01949 -0.00786 115 4PY 0.00076 0.00038 0.00547 -0.01215 0.01271 116 4PZ -0.00014 0.00087 -0.00366 -0.00055 -0.01476 117 5PX -0.06564 -0.14534 -0.05106 0.94812 0.54099 118 5PY 0.06862 -0.12573 -0.05198 0.58203 -0.87855 119 5PZ 0.04903 -0.08865 0.30592 0.02039 0.60957 120 6PX -0.03172 0.10976 0.00730 0.30850 0.09691 121 6PY -0.00822 0.05154 0.03859 0.19248 -0.17529 122 6PZ -0.05870 0.06928 -0.14019 0.00177 0.47163 123 7D 0 -0.07432 -0.01553 0.05434 -0.00227 0.08605 124 7D+1 -0.21568 -0.05917 -0.02120 0.01894 -0.02364 125 7D-1 -0.05653 -0.03815 -0.00838 0.01784 0.03018 126 7D+2 -0.09567 -0.01882 -0.01509 -0.13215 0.04531 127 7D-2 0.13411 0.02288 -0.01901 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-0.01300 0.10538 0.27169 -0.02428 54 6PX 0.01907 -0.03065 0.00160 0.08930 -0.07579 55 6PY 0.00424 0.04225 -0.01227 -0.23088 -0.02610 56 6PZ -0.00010 0.02899 -0.09818 0.24148 -0.01450 57 7D 0 0.02441 0.01715 -0.17365 -0.12281 0.02245 58 7D+1 0.14657 0.00493 0.05017 -0.08219 0.09219 59 7D-1 0.10664 0.00500 -0.07203 0.21892 0.03089 60 7D+2 -0.22591 -0.02231 -0.08260 0.04368 0.04924 61 7D-2 0.12442 -0.00715 -0.12498 0.01476 -0.04670 62 8D 0 -0.05101 0.00838 0.39044 0.24172 -0.04478 63 8D+1 -0.29824 -0.02484 -0.12052 0.18102 -0.18383 64 8D-1 -0.21741 0.00645 0.17309 -0.46050 -0.06050 65 8D+2 0.46203 0.06351 0.18897 -0.07243 -0.09752 66 8D-2 -0.25539 0.03703 0.28023 -0.00231 0.09095 67 4 Cu 1S 0.00639 -0.00235 0.01974 0.10982 -0.09106 68 2S 0.01169 -0.01947 0.00763 0.23799 -0.19376 69 3S -0.13122 -0.09039 -0.57180 -1.19602 1.06352 70 4PX 0.00989 -0.00562 -0.00855 -0.01122 0.00388 71 4PY -0.01633 0.00312 -0.00271 -0.00315 0.00810 72 4PZ -0.01393 0.00375 0.00099 -0.00212 -0.00715 73 5PX -0.04427 -0.01964 -0.08092 0.19060 -0.12389 74 5PY 0.13853 0.22834 0.70960 0.08918 -0.13980 75 5PZ 0.10232 0.11610 0.29455 0.03112 0.06933 76 6PX 0.02662 -0.02896 -0.03191 0.24451 -0.11042 77 6PY -0.05287 0.05220 0.17619 0.12807 -0.18196 78 6PZ -0.03678 0.00833 -0.05953 0.00702 0.05351 79 7D 0 0.05359 0.21711 -0.12987 -0.10569 0.04967 80 7D+1 0.04702 -0.00351 0.08344 0.01563 0.07087 81 7D-1 0.05265 0.12104 0.03060 -0.01295 0.09351 82 7D+2 -0.06799 -0.03478 -0.17438 0.09871 0.01356 83 7D-2 0.05720 0.14193 0.00351 0.16983 -0.13297 84 8D 0 -0.11353 -0.43742 0.28091 0.20903 -0.09581 85 8D+1 -0.07968 -0.00737 -0.19433 -0.05021 -0.12629 86 8D-1 -0.09783 -0.25281 -0.07031 0.04847 -0.20418 87 8D+2 0.11348 0.09455 0.40474 -0.20220 -0.01953 88 8D-2 -0.10966 -0.30434 -0.03647 -0.35044 0.27443 89 5 Cu 1S 0.01042 -0.00116 -0.01570 -0.03621 0.13503 90 2S 0.02152 -0.00898 -0.04546 -0.08416 0.29470 91 3S -0.12623 0.02730 0.23057 0.30515 -1.43292 92 4PX 0.00535 0.00807 -0.00527 -0.00301 -0.01112 93 4PY 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-0.00503 113 3S 0.08560 2.09395 5.90661 0.11582 -0.02412 114 4PX 0.01464 0.01345 0.02952 -0.00019 0.00069 115 4PY 0.00765 -0.02341 -0.04708 0.00077 0.00027 116 4PZ 0.00017 -0.00284 -0.05017 -0.00130 0.00010 117 5PX 0.04351 -0.55682 -1.47421 0.00696 -0.04078 118 5PY 0.07435 0.87891 2.35106 -0.04796 -0.01649 119 5PZ 0.02958 0.69710 1.60068 0.07683 -0.01467 120 6PX -0.03724 -0.05462 -0.09567 0.00490 -0.11231 121 6PY -0.01776 0.08677 0.14011 -0.07990 -0.04966 122 6PZ 0.00452 0.13105 0.51802 0.12665 -0.02978 123 7D 0 0.00902 0.14056 -0.04620 -0.11008 0.03406 124 7D+1 0.08936 -0.03731 0.02727 -0.01456 0.15793 125 7D-1 0.06101 0.04567 -0.04213 0.11591 0.06099 126 7D+2 -0.12498 0.03492 -0.00655 0.09991 0.10400 127 7D-2 0.06496 0.05419 -0.00985 0.11557 -0.09898 128 8D 0 -0.01738 -0.27246 0.08038 0.22094 -0.06892 129 8D+1 -0.17216 0.07397 -0.05935 0.02826 -0.31832 130 8D-1 -0.11776 -0.09131 0.09157 -0.23124 -0.12302 131 8D+2 0.24260 -0.06549 0.00809 -0.20195 -0.21155 132 8D-2 -0.12617 -0.10127 0.00826 -0.23433 0.20113 133 7 Cu 1S 0.00229 0.05520 0.09504 0.00324 -0.00087 134 2S 0.00014 -0.00197 -0.09898 0.00188 -0.00108 135 3S -0.07933 -1.97162 -4.41486 -0.08378 0.01517 136 4PX -0.01685 0.00434 0.02533 0.00049 0.00108 137 4PY -0.01059 -0.00452 -0.04046 -0.00017 0.00062 138 4PZ -0.00160 -0.03068 -0.03324 -0.00143 0.00035 139 5PX 0.00661 -0.35989 -0.90027 -0.00739 -0.02367 140 5PY 0.03547 0.56654 1.42703 -0.00693 -0.01294 141 5PZ 0.01959 0.47927 1.10329 0.05085 -0.01022 142 6PX 0.09332 -0.13752 -0.38860 -0.00937 0.05093 143 6PY 0.06886 0.20728 0.62424 0.04291 0.01972 144 6PZ 0.01001 0.19392 0.14446 -0.03015 0.00902 145 7D 0 0.00817 0.12502 -0.05502 -0.12127 0.03645 146 7D+1 0.08177 -0.06163 -0.06980 -0.01373 0.16671 147 7D-1 0.05797 0.08628 0.11144 0.12231 0.06638 148 7D+2 -0.11374 0.01471 -0.06577 0.10207 0.10250 149 7D-2 0.05699 0.01216 -0.13414 0.11839 -0.09910 150 8D 0 -0.01470 -0.22571 0.11142 0.23114 -0.06907 151 8D+1 -0.14909 0.12688 0.16421 0.02633 -0.31664 152 8D-1 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-0.00204 0.00228 172 5PZ 0.00236 -0.00176 -0.18046 -0.00798 0.00473 151 152 153 154 155 V V V V V EIGENVALUES -- 1.06165 1.09665 1.15576 1.16172 1.21976 1 1 Cu 1S -0.00260 0.00442 0.07553 0.08165 0.08466 2 2S -0.00599 0.04173 0.00353 0.01007 0.13697 3 3S 0.02777 0.25476 -2.70262 -2.79979 -0.78272 4 4PX -0.00023 0.00228 0.01528 0.01217 0.00781 5 4PY -0.00012 -0.00316 0.02752 0.02571 -0.00189 6 4PZ 0.00021 -0.00391 -0.01921 -0.02466 -0.01396 7 5PX 0.00163 -0.15931 0.29342 -1.16938 0.06753 8 5PY 0.00309 0.05218 -0.78976 -0.90554 -0.12383 9 5PZ -0.00298 -0.00651 1.14272 0.13318 0.38134 10 6PX 0.00202 -0.06059 0.12977 -0.20729 -0.12243 11 6PY 0.00429 -0.09358 -0.21368 -0.25732 -0.06133 12 6PZ -0.00389 -0.02515 0.18603 -0.02942 0.10773 13 7D 0 0.14637 0.03685 0.11148 -0.10250 0.04869 14 7D+1 0.06603 -0.02403 0.04303 -0.04239 0.02081 15 7D-1 0.10878 -0.11502 -0.17966 -0.04271 -0.03381 16 7D+2 -0.09902 0.05707 -0.03080 0.04208 0.03064 17 7D-2 0.13769 0.11374 -0.00587 0.17411 -0.02515 18 8D 0 -0.31417 -0.08006 -0.30839 0.29344 -0.12576 19 8D+1 -0.14093 0.08065 -0.13524 0.10497 -0.07522 20 8D-1 -0.23337 0.24833 0.47193 0.09192 0.10458 21 8D+2 0.21283 -0.12024 0.08097 -0.13015 -0.06781 22 8D-2 -0.29555 -0.25810 0.04452 -0.48000 0.06606 23 2 Cu 1S 0.00165 0.05798 -0.05793 0.11346 0.04181 24 2S 0.00332 0.12093 -0.02195 0.03000 0.09212 25 3S -0.02353 -0.67735 1.77824 -3.57926 0.08121 26 4PX 0.00008 0.01003 -0.02227 0.04378 0.00479 27 4PY 0.00016 0.00166 -0.00534 0.01089 -0.00717 28 4PZ 0.00046 0.00209 -0.00211 0.01648 -0.01301 29 5PX -0.00400 -0.30030 0.51738 -1.34692 -0.13818 30 5PY -0.00282 0.09968 -0.53418 -0.79284 -0.06041 31 5PZ -0.00376 -0.18956 1.03497 -0.12094 0.42454 32 6PX -0.00424 -0.09049 0.10033 -0.24632 -0.00861 33 6PY 0.00121 0.01626 -0.08644 -0.23788 0.00601 34 6PZ -0.00229 -0.11729 0.27795 -0.08265 -0.10047 35 7D 0 0.18851 -0.02869 -0.07324 -0.07482 -0.05847 36 7D+1 -0.08768 0.09528 -0.16369 0.02070 -0.09418 37 7D-1 0.02631 -0.10810 0.01851 -0.06496 -0.01649 38 7D+2 0.12768 0.13496 -0.03420 0.07793 0.00883 39 7D-2 0.06097 0.04765 0.09137 0.15136 -0.01098 40 8D 0 -0.40430 0.06294 0.21754 0.19585 0.16238 41 8D+1 0.18864 -0.22200 0.45908 -0.03551 0.24548 42 8D-1 -0.05593 0.23100 -0.06254 0.18616 0.02807 43 8D+2 -0.27388 -0.31367 0.09100 -0.18668 -0.02677 44 8D-2 -0.13107 -0.08967 -0.26255 -0.41013 0.00420 45 3 Cu 1S 0.00017 0.08160 -0.11778 -0.01741 0.01653 46 2S 0.00041 0.15164 -0.02417 -0.00332 0.06081 47 3S -0.00167 -1.13101 3.75604 0.55392 0.39230 48 4PX 0.00024 0.00310 -0.01205 -0.00406 0.00650 49 4PY 0.00012 -0.00853 0.03223 0.00318 -0.01083 50 4PZ 0.00004 0.01147 -0.03686 -0.00614 -0.01448 51 5PX -0.00445 -0.14582 0.45414 -1.06927 -0.11235 52 5PY -0.00232 0.30237 -0.76931 -0.71688 0.25042 53 5PZ -0.00073 -0.31891 1.24409 0.05151 0.30353 54 6PX -0.00054 -0.03771 0.04596 -0.23723 0.05451 55 6PY 0.00010 0.07414 -0.07522 -0.14271 -0.10367 56 6PZ -0.00016 -0.10754 0.33606 0.01838 -0.07462 57 7D 0 -0.02578 -0.01934 -0.03705 0.03029 -0.08311 58 7D+1 -0.11459 0.10570 -0.08645 0.15483 -0.01305 59 7D-1 -0.08500 -0.17594 0.11883 0.09344 0.01255 60 7D+2 0.17559 0.00116 -0.01635 0.10721 -0.06446 61 7D-2 -0.10123 0.03777 -0.01643 -0.10122 -0.08877 62 8D 0 0.05528 0.04267 0.08811 -0.08910 0.19324 63 8D+1 0.24561 -0.23816 0.23463 -0.44514 0.03864 64 8D-1 0.18221 0.39636 -0.30490 -0.26087 -0.02487 65 8D+2 -0.37658 0.00431 0.05893 -0.30167 0.17673 66 8D-2 0.21708 -0.07292 0.05910 0.28866 0.24031 67 4 Cu 1S -0.00190 0.04933 -0.02552 -0.12374 0.05112 68 2S -0.00383 0.10882 -0.01449 -0.03126 0.10188 69 3S 0.02742 -0.52019 0.74116 3.95673 -0.07731 70 4PX 0.00030 -0.00576 0.00662 0.03967 0.00408 71 4PY 0.00005 -0.00689 0.00626 0.03420 -0.00724 72 4PZ -0.00042 -0.00057 0.00443 -0.00679 -0.01186 73 5PX -0.00569 0.07087 0.34217 -1.36120 0.11468 74 5PY -0.00293 0.29617 -0.60552 -0.88342 0.03119 75 5PZ 0.00279 -0.14125 0.98814 0.09920 0.43561 76 6PX -0.00255 0.05249 0.05921 -0.34024 0.02443 77 6PY -0.00469 0.08888 -0.13706 -0.11593 0.05071 78 6PZ 0.00163 -0.10781 0.24954 0.08571 -0.08424 79 7D 0 -0.20364 -0.03385 -0.03427 0.05199 -0.01847 80 7D+1 0.02058 0.05529 0.13038 -0.06083 0.08358 81 7D-1 -0.07711 -0.10127 0.12912 0.07218 0.06367 82 7D+2 -0.01732 -0.03068 0.11354 -0.06322 -0.00539 83 7D-2 -0.12605 0.15966 0.00434 -0.13873 -0.01763 84 8D 0 0.43701 0.07955 0.10304 -0.12258 0.05761 85 8D+1 -0.04332 -0.10546 -0.36353 0.17700 -0.21739 86 8D-1 0.16546 0.22416 -0.37253 -0.19745 -0.17433 87 8D+2 0.03721 0.08678 -0.32335 0.17252 -0.01151 88 8D-2 0.27033 -0.36312 -0.00678 0.34819 0.03473 89 5 Cu 1S 0.00271 -0.00215 0.09387 -0.05357 0.08932 90 2S 0.00621 0.03170 0.00360 -0.00453 0.13995 91 3S -0.02895 0.36800 -3.37521 1.86458 -0.93123 92 4PX -0.00018 0.00296 -0.03248 0.01444 -0.00201 93 4PY -0.00006 -0.00381 0.00686 -0.00562 -0.00623 94 4PZ -0.00027 -0.00326 -0.03150 0.02000 -0.01673 95 5PX 0.00289 -0.00080 0.63702 -1.21592 0.08768 96 5PY -0.00136 0.14347 -0.65172 -0.65953 -0.12363 97 5PZ 0.00373 0.00746 1.22058 -0.08300 0.37807 98 6PX 0.00425 0.09972 0.16008 -0.29111 0.09684 99 6PY -0.00154 -0.01413 -0.23007 -0.09594 0.04792 100 6PZ 0.00464 -0.00359 0.17965 0.02579 0.15600 101 7D 0 -0.10031 0.06837 0.09692 0.09597 0.04009 102 7D+1 0.13778 0.11105 0.11472 -0.09863 0.00736 103 7D-1 0.03785 -0.04366 -0.14486 -0.07744 -0.02998 104 7D+2 -0.18780 0.05216 0.00890 -0.13610 -0.02519 105 7D-2 0.02492 0.08877 0.01056 -0.09520 0.02856 106 8D 0 0.21554 -0.15933 -0.25348 -0.28027 -0.09500 107 8D+1 -0.29521 -0.25574 -0.27793 0.25806 -0.02100 108 8D-1 -0.08072 0.07410 0.39502 0.22430 0.10552 109 8D+2 0.40312 -0.12199 -0.00329 0.38088 0.06291 110 8D-2 -0.05394 -0.18516 -0.02885 0.27562 -0.07173 111 6 Cu 1S -0.00005 0.02186 0.07671 0.00243 -0.02602 112 2S -0.00019 0.14840 0.21816 0.00596 -0.09280 113 3S -0.00143 0.41670 -0.38582 -0.01045 1.52276 114 4PX 0.00026 -0.00359 0.01362 -0.02953 0.00284 115 4PY 0.00014 0.00580 -0.02054 -0.01887 -0.00503 116 4PZ 0.00004 -0.00460 0.01896 0.00032 0.02417 117 5PX -0.00273 -0.57961 0.12806 -0.79187 -0.31863 118 5PY -0.00179 0.93062 -0.18062 -0.49326 0.52131 119 5PZ -0.00062 0.48356 1.04822 0.02253 0.07810 120 6PX -0.00186 -0.01326 0.16112 -0.22094 0.09015 121 6PY -0.00080 0.03129 -0.25017 -0.15261 -0.15796 122 6PZ -0.00070 -0.21218 0.09151 0.00027 0.37772 123 7D 0 0.00116 0.00039 -0.15744 -0.00217 0.01149 124 7D+1 0.00487 0.05955 0.08545 0.09117 -0.19000 125 7D-1 0.00227 -0.09411 -0.13939 0.05404 0.30032 126 7D+2 0.00014 0.03458 -0.01266 -0.14533 -0.09260 127 7D-2 -0.00121 0.07247 -0.03048 0.06811 -0.19619 128 8D 0 -0.00241 0.00338 0.46679 0.00655 -0.02066 129 8D+1 -0.01016 -0.10678 -0.21594 -0.27231 0.47842 130 8D-1 -0.00479 0.16809 0.35381 -0.16350 -0.75605 131 8D+2 0.00000 -0.05853 0.05702 0.43362 0.23253 132 8D-2 0.00238 -0.12348 0.13151 -0.20229 0.49314 133 7 Cu 1S 0.00001 -0.12840 -0.08214 -0.00223 0.07997 134 2S 0.00007 -0.31648 -0.21291 -0.00530 0.15456 135 3S 0.00029 0.90091 0.11265 0.00956 -0.45517 136 4PX -0.00033 -0.01134 0.01249 -0.02469 -0.00638 137 4PY -0.00018 0.01821 -0.01893 -0.01585 0.01004 138 4PZ -0.00002 0.00740 0.01738 0.00029 0.01812 139 5PX 0.00005 -0.01305 0.28849 -1.01651 0.08158 140 5PY -0.00018 0.02734 -0.42088 -0.64998 -0.12565 141 5PZ -0.00011 -0.19407 1.02982 0.01363 0.17532 142 6PX -0.00060 -0.00488 0.29905 -0.72330 -0.10336 143 6PY -0.00068 0.00982 -0.44601 -0.46468 0.16937 144 6PZ 0.00023 -0.09641 0.61272 0.00497 0.21475 145 7D 0 0.00122 -0.01159 0.11712 0.00136 0.00027 146 7D+1 0.00540 0.13169 -0.04572 -0.06919 0.11692 147 7D-1 0.00251 -0.20813 0.07383 -0.04288 -0.18525 148 7D+2 0.00116 0.07227 0.01616 0.10989 0.06661 149 7D-2 -0.00174 0.15232 0.03973 -0.05108 0.14210 150 8D 0 -0.00240 0.03787 -0.35475 -0.00414 -0.02005 151 8D+1 -0.01061 -0.28179 0.12374 0.21499 -0.26786 152 8D-1 -0.00496 0.44489 -0.20092 0.13296 0.42456 153 8D+2 -0.00227 -0.14924 -0.05655 -0.33607 -0.16032 154 8D-2 0.00337 -0.31523 -0.13582 0.15639 -0.34245 155 8 C 1S 0.00000 0.01499 -0.00480 -0.00040 -0.02793 156 2S -0.00016 -0.55174 -0.29469 -0.01103 0.30945 157 3S 0.00042 1.29703 0.32743 0.01345 -0.11479 158 4PX -0.00039 0.10743 0.02031 0.01109 -0.26073 159 4PY -0.00019 -0.17423 -0.03379 0.00849 0.42179 160 4PZ 0.00004 -0.04911 -0.01244 0.00076 0.12575 161 5PX -0.00032 -0.23450 -0.01703 -0.32847 -0.04109 162 5PY -0.00036 0.37364 0.04396 -0.19576 0.06698 163 5PZ 0.00000 0.21626 0.30347 0.00587 0.12657 164 9 O 1S 0.00000 0.00012 0.01669 0.00068 -0.00654 165 2S 0.00004 0.01186 -0.23191 -0.01026 -0.02839 166 3S -0.00015 -0.13130 0.23847 0.01249 0.29042 167 4PX -0.00061 -0.00088 0.04480 -0.10350 -0.05817 168 4PY -0.00033 0.00144 -0.06656 -0.06611 0.09633 169 4PZ -0.00020 -0.00561 0.04904 -0.00038 0.01210 170 5PX 0.00136 0.07456 -0.12429 0.28772 -0.04880 171 5PY 0.00076 -0.12057 0.18605 0.18690 0.07919 172 5PZ 0.00033 -0.02760 -0.17263 -0.00060 -0.03481 156 157 158 159 160 V V V V V EIGENVALUES -- 1.24819 1.24850 1.27510 1.27870 1.32532 1 1 Cu 1S -0.00515 -0.02751 -0.00134 0.00023 0.02087 2 2S -0.00898 -0.06952 -0.00660 -0.00026 0.09897 3 3S 0.03460 -0.48256 -0.00238 0.12028 0.69689 4 4PX 0.01871 0.01529 -0.00207 0.01328 0.01510 5 4PY 0.00167 0.00949 -0.00885 -0.02333 -0.00714 6 4PZ 0.01454 -0.02141 -0.01044 -0.01155 0.01984 7 5PX -0.09789 -0.27051 -0.04021 -0.23559 -0.22490 8 5PY -0.00748 -0.18430 0.15341 0.45017 0.49422 9 5PZ -0.09844 0.36919 0.13869 0.22014 -0.38840 10 6PX 0.07973 0.07984 0.02456 0.14272 0.56869 11 6PY 0.01629 -0.03887 -0.08867 -0.21940 -0.23445 12 6PZ 0.05043 -0.07135 -0.08072 -0.15709 0.20668 13 7D 0 -0.03336 0.06790 0.06263 0.13423 -0.04814 14 7D+1 -0.00778 -0.27227 -0.01652 -0.03319 0.02447 15 7D-1 0.02089 -0.06046 -0.01261 0.01148 0.06958 16 7D+2 0.00778 -0.10539 0.07632 0.22097 0.13854 17 7D-2 0.02986 0.02560 -0.01071 0.03079 0.06926 18 8D 0 0.07827 -0.17123 -0.17270 -0.35057 0.12021 19 8D+1 0.01681 0.70030 0.03822 0.08546 -0.10297 20 8D-1 -0.05463 0.15159 0.02423 -0.02841 -0.19095 21 8D+2 -0.01654 0.27446 -0.19586 -0.58999 -0.43065 22 8D-2 -0.07632 -0.06339 0.01566 -0.07766 -0.20307 23 2 Cu 1S 0.01049 0.02683 -0.00477 -0.00023 0.03562 24 2S 0.02935 0.06550 -0.01212 -0.00824 0.15823 25 3S 0.28214 0.35304 -0.10774 -0.16594 1.11963 26 4PX -0.01412 -0.02333 -0.00740 -0.00177 -0.01556 27 4PY 0.01416 -0.00732 0.01603 0.01866 0.00442 28 4PZ -0.01520 0.00798 0.02123 0.00527 -0.01496 29 5PX 0.27379 0.41150 0.12513 0.02545 0.55496 30 5PY -0.07662 0.02432 -0.36577 -0.28705 0.25944 31 5PZ 0.09545 -0.03147 -0.33786 -0.19089 0.55426 32 6PX -0.03353 -0.08414 -0.10786 -0.07151 0.10407 33 6PY 0.08056 0.01378 0.17685 0.12880 -0.13262 34 6PZ -0.03382 0.09729 0.17943 0.08110 -0.46629 35 7D 0 0.05791 0.12090 0.06362 0.01410 0.00060 36 7D+1 -0.03909 -0.00317 0.10378 0.05450 -0.10747 37 7D-1 -0.11271 -0.15866 0.14748 0.10599 -0.13335 38 7D+2 -0.11134 -0.16444 -0.08993 -0.05732 -0.04220 39 7D-2 0.05100 0.02232 0.10609 0.08467 -0.00296 40 8D 0 -0.14725 -0.31407 -0.15706 -0.05033 -0.01161 41 8D+1 0.09447 0.00987 -0.27436 -0.14161 0.30947 42 8D-1 0.29399 0.41350 -0.38937 -0.28306 0.44811 43 8D+2 0.28724 0.42083 0.24095 0.14124 0.12581 44 8D-2 -0.12486 -0.06271 -0.27933 -0.22478 0.01265 45 3 Cu 1S -0.03329 -0.01079 0.00393 0.00027 -0.00367 46 2S -0.08110 -0.02652 0.01673 -0.00082 -0.01641 47 3S -0.40841 -0.14566 0.20204 -0.02459 -0.11932 48 4PX 0.00156 0.02276 0.01158 -0.00998 0.02662 49 4PY -0.02232 0.00367 -0.01722 -0.00427 0.01270 50 4PZ 0.01302 0.00707 -0.02470 0.00039 0.00450 51 5PX -0.11182 -0.16970 -0.22398 0.04801 -0.40390 52 5PY 0.35147 0.06334 0.30033 0.00967 -0.17880 53 5PZ -0.24796 -0.09879 0.47389 -0.02530 -0.11838 54 6PX 0.02633 0.08378 0.13919 -0.05700 0.59063 55 6PY -0.10041 0.00250 -0.21841 -0.01558 0.33860 56 6PZ -0.01923 0.00040 -0.19555 0.00242 0.09854 57 7D 0 0.08537 0.03692 -0.26660 0.01069 0.03269 58 7D+1 -0.01232 0.03315 0.06846 -0.02608 0.10714 59 7D-1 -0.09502 -0.01651 -0.03604 -0.00937 0.04196 60 7D+2 -0.16091 -0.03263 -0.03474 -0.00506 0.07233 61 7D-2 -0.20462 -0.09645 -0.04047 0.00708 -0.07389 62 8D 0 -0.21949 -0.09508 0.70173 -0.03134 -0.09573 63 8D+1 0.03371 -0.08314 -0.18118 0.05449 -0.29594 64 8D-1 0.24040 0.04083 0.09294 0.01607 -0.11785 65 8D+2 0.41261 0.09233 0.08979 0.02365 -0.19448 66 8D-2 0.53151 0.24440 0.10383 -0.02309 0.20694 67 4 Cu 1S 0.02297 -0.01292 -0.00451 0.00039 -0.03604 68 2S 0.06041 -0.02990 -0.00830 0.00792 -0.16278 69 3S 0.45649 -0.09892 -0.06207 0.17238 -1.16013 70 4PX 0.00986 -0.01394 -0.01082 0.01630 -0.01035 71 4PY 0.02571 0.00172 0.01207 -0.01278 -0.01534 72 4PZ -0.00226 -0.01925 0.01972 -0.00608 0.00808 73 5PX -0.23293 0.12092 0.24844 -0.28629 0.68685 74 5PY -0.41827 0.08432 -0.25956 0.19689 0.33827 75 5PZ -0.03516 0.13608 -0.29679 0.19532 -0.36937 76 6PX -0.02408 -0.03862 -0.11016 0.09337 -0.20982 77 6PY 0.09861 -0.00477 0.15143 -0.14009 0.16997 78 6PZ 0.03935 -0.11571 0.16948 -0.10204 0.37902 79 7D 0 0.15111 -0.05683 0.00598 0.02054 -0.06376 80 7D+1 0.12791 -0.00451 -0.15671 0.11785 -0.15053 81 7D-1 -0.14031 0.07193 -0.02689 0.00019 0.01967 82 7D+2 0.08157 -0.00130 0.14607 -0.13707 0.03534 83 7D-2 -0.15147 0.05053 -0.02324 0.01485 0.06182 84 8D 0 -0.38858 0.15187 -0.00365 -0.04298 0.20438 85 8D+1 -0.33135 0.01608 0.41127 -0.31602 0.48520 86 8D-1 0.36642 -0.18284 0.07033 0.00333 -0.09507 87 8D+2 -0.20567 0.00884 -0.38581 0.36097 -0.11690 88 8D-2 0.38816 -0.12645 0.06594 -0.03016 -0.18131 89 5 Cu 1S -0.02341 0.02124 -0.00225 0.00131 -0.01483 90 2S -0.05427 0.05390 -0.00696 0.00530 -0.07324 91 3S -0.25146 0.38003 0.00917 -0.10861 -0.53286 92 4PX -0.01833 0.00065 0.00889 -0.01479 0.01007 93 4PY -0.01554 -0.00599 0.00023 0.02283 0.02035 94 4PZ -0.00714 0.02558 -0.00723 0.01266 -0.01667 95 5PX 0.19054 -0.13427 -0.11194 0.28993 0.08089 96 5PY 0.11611 -0.01765 0.05342 -0.43093 -0.49823 97 5PZ 0.21095 -0.37304 0.09965 -0.23651 0.34253 98 6PX -0.04606 -0.03708 0.05622 -0.13885 0.24028 99 6PY -0.09730 0.03051 -0.03737 0.23337 0.63198 100 6PZ -0.03506 0.08832 -0.05825 0.16752 -0.16907 101 7D 0 0.07730 -0.14123 0.05057 -0.14693 0.06719 102 7D+1 0.10594 -0.12713 -0.00161 0.02260 0.01748 103 7D-1 0.10994 -0.10034 0.00272 -0.05433 -0.07036 104 7D+2 0.04780 -0.01885 -0.03533 0.05076 -0.04390 105 7D-2 -0.07413 0.11746 0.04248 -0.21504 -0.13796 106 8D 0 -0.20136 0.35614 -0.13863 0.38484 -0.18240 107 8D+1 -0.26689 0.32766 0.01416 -0.05982 -0.06246 108 8D-1 -0.28119 0.26305 -0.00540 0.14270 0.17855 109 8D+2 -0.12328 0.04779 0.07766 -0.13867 0.11761 110 8D-2 0.19580 -0.30367 -0.11187 0.57313 0.42529 111 6 Cu 1S 0.00445 0.00069 0.00473 -0.00076 -0.00013 112 2S 0.01556 0.00265 0.01139 -0.00192 -0.00079 113 3S -0.12718 -0.00231 -0.08142 0.01254 -0.00973 114 4PX -0.00061 -0.00062 -0.00066 -0.00061 -0.01479 115 4PY 0.00151 -0.00035 0.00051 -0.00050 -0.00908 116 4PZ -0.00186 -0.00004 0.00034 0.00004 -0.00014 117 5PX 0.01761 0.02301 0.01635 -0.01598 0.75799 118 5PY -0.03963 0.01722 -0.02993 -0.00218 0.45337 119 5PZ 0.00676 0.00218 0.00324 -0.00891 0.01230 120 6PX 0.00643 -0.03583 0.00288 0.01393 0.30758 121 6PY -0.00216 -0.02546 -0.01114 0.00802 0.17956 122 6PZ -0.00164 0.00346 -0.00433 0.00588 0.01695 123 7D 0 -0.13957 -0.00836 -0.09879 0.02957 -0.00341 124 7D+1 -0.06599 0.16945 0.00087 0.11607 -0.08098 125 7D-1 0.07041 0.11365 0.08367 0.04878 -0.05229 126 7D+2 0.06833 0.15409 0.07736 0.06002 0.11246 127 7D-2 0.18062 -0.05875 0.09082 -0.06326 -0.05631 128 8D 0 0.38746 0.02384 0.27967 -0.08376 0.00975 129 8D+1 0.18743 -0.47011 -0.00128 -0.32993 0.23299 130 8D-1 -0.20266 -0.31665 -0.23903 -0.13824 0.15084 131 8D+2 -0.18839 -0.42833 -0.21865 -0.17023 -0.32676 132 8D-2 -0.49730 0.16363 -0.25584 0.17908 0.16326 133 7 Cu 1S -0.00532 0.00001 -0.00729 0.00058 -0.00146 134 2S -0.01018 -0.00009 -0.01484 0.00104 -0.00326 135 3S 0.02888 -0.00299 0.05177 -0.00647 0.00726 136 4PX 0.00047 -0.00019 -0.00008 0.00081 -0.03971 137 4PY -0.00106 -0.00029 0.00066 0.00024 -0.02371 138 4PZ -0.00041 0.00005 -0.00149 0.00025 -0.00175 139 5PX -0.00050 -0.00850 0.00167 -0.03602 1.60676 140 5PY 0.00808 -0.00304 -0.02650 -0.01439 0.95598 141 5PZ -0.01224 -0.00037 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0.16109 1.36178 -0.65237 -0.25180 8 5PY -0.64734 -0.34190 0.07355 0.16205 -0.20895 9 5PZ -0.10630 -0.61128 0.88038 0.53541 0.05532 10 6PX 0.16539 -0.00016 -2.33127 0.44004 0.25140 11 6PY 0.36882 0.25653 -0.12227 -0.19129 0.29557 12 6PZ 0.47354 0.49348 -1.53914 -0.08894 0.03119 13 7D 0 -0.11918 -0.11901 0.13876 0.07314 -0.01673 14 7D+1 -0.05644 0.10900 0.07548 -0.16008 -0.05555 15 7D-1 0.00811 0.03674 -0.09293 0.02924 0.00166 16 7D+2 -0.09534 -0.07315 -0.06688 0.06823 -0.01764 17 7D-2 0.04926 0.04387 -0.15576 0.05924 0.02223 18 8D 0 0.34802 0.36380 -0.43475 -0.22119 0.05866 19 8D+1 0.18196 -0.33165 -0.23722 0.49274 0.17698 20 8D-1 -0.02600 -0.09991 0.29209 -0.08147 -0.01123 21 8D+2 0.32482 0.21628 0.20905 -0.19452 0.06077 22 8D-2 -0.12965 -0.12315 0.48789 -0.16258 -0.06740 23 2 Cu 1S 0.02528 0.00881 -0.00504 0.01978 -0.31522 24 2S 0.08098 0.05495 -0.01206 0.05718 -0.65067 25 3S 0.34625 0.67945 0.01606 0.09753 0.40083 26 4PX -0.00701 -0.01104 0.00139 -0.00373 0.00468 27 4PY -0.01918 0.00654 0.01139 -0.01476 -0.00720 28 4PZ 0.01316 -0.00192 -0.01165 0.01140 0.00407 29 5PX 0.18213 0.67179 -0.12021 0.27620 -0.23042 30 5PY 0.49139 -0.56903 -1.12975 0.05871 0.01063 31 5PZ -0.00682 -0.39118 1.18205 -0.32314 -0.33265 32 6PX 0.01388 -0.29419 0.21677 -0.23215 0.12999 33 6PY -0.57514 0.38576 1.91535 -0.17215 -0.24278 34 6PZ 0.25144 0.31601 -2.04670 0.39906 0.22898 35 7D 0 0.03716 0.07805 -0.10862 0.10378 -0.00575 36 7D+1 0.03836 0.07422 -0.15734 0.06637 0.04608 37 7D-1 -0.07749 0.03191 0.00774 -0.00338 0.01951 38 7D+2 0.00422 -0.16013 -0.03339 -0.04418 0.03476 39 7D-2 -0.12379 0.12923 0.16576 -0.02163 -0.01946 40 8D 0 -0.10884 -0.24519 0.33930 -0.29974 0.00813 41 8D+1 -0.09662 -0.22619 0.49270 -0.20117 -0.15338 42 8D-1 0.24673 -0.08901 -0.02511 0.02147 -0.05408 43 8D+2 -0.01594 0.48067 0.10327 0.14387 -0.10211 44 8D-2 0.34427 -0.39045 -0.51709 0.04652 0.05659 45 3 Cu 1S 0.05137 -0.00013 0.00068 0.01269 -0.38340 46 2S 0.18673 -0.00403 0.00139 0.08249 -0.78357 47 3S 0.95998 -0.10013 -0.00587 1.02761 0.94102 48 4PX -0.00036 0.01043 0.01530 -0.00219 0.00213 49 4PY 0.00842 0.00389 0.00807 0.01087 -0.00204 50 4PZ -0.01617 0.00134 0.00179 -0.00846 -0.00222 51 5PX -0.11312 -0.18974 -1.45638 0.41227 0.00740 52 5PY -0.04452 0.02551 -0.76421 -0.85573 0.00382 53 5PZ 0.91324 0.01778 -0.16955 -0.03050 -0.30021 54 6PX 0.27469 0.17205 2.47763 -0.17085 0.11883 55 6PY -0.32823 0.02763 1.30784 0.40953 -0.14634 56 6PZ -0.43719 -0.02301 0.29156 0.18728 -0.06475 57 7D 0 -0.19658 -0.00676 0.03708 0.10705 0.02447 58 7D+1 0.03650 0.06258 0.19077 -0.02795 0.01273 59 7D-1 0.02901 0.02429 0.08268 0.07699 -0.03347 60 7D+2 0.02464 -0.01314 0.11198 0.11160 -0.01468 61 7D-2 0.02097 -0.02318 -0.10462 0.14051 -0.01989 62 8D 0 0.60797 0.02350 -0.11541 -0.32049 -0.07805 63 8D+1 -0.12543 -0.17242 -0.59361 0.07728 -0.04369 64 8D-1 -0.06875 -0.06381 -0.25711 -0.22077 0.10632 65 8D+2 -0.08829 0.03157 -0.34919 -0.35120 0.03498 66 8D-2 -0.09293 0.07377 0.32576 -0.44774 0.04622 67 4 Cu 1S 0.01959 -0.01530 0.00366 0.01918 -0.29188 68 2S 0.05674 -0.07116 0.00850 0.04220 -0.60315 69 3S 0.19474 -0.64194 -0.01681 -0.15740 0.27965 70 4PX 0.01549 -0.00239 0.00771 0.01096 0.00222 71 4PY -0.00830 -0.01269 -0.00651 -0.01029 -0.00874 72 4PZ 0.01788 -0.00153 0.01264 0.01396 0.00458 73 5PX -0.37324 -0.17187 -0.76944 -0.13950 0.16651 74 5PY 0.12926 0.86823 0.66168 0.05293 0.24782 75 5PZ -0.18285 0.51968 -1.28477 -0.31295 -0.29167 76 6PX 0.36598 0.19597 1.30577 0.24639 0.05564 77 6PY -0.30084 -0.46237 -1.11012 -0.04021 -0.26689 78 6PZ 0.38484 -0.39327 2.22397 0.43180 0.26568 79 7D 0 0.02604 -0.05927 0.04855 0.06113 -0.02198 80 7D+1 -0.02452 0.07661 -0.13804 -0.06409 -0.04360 81 7D-1 -0.08196 0.10077 -0.13434 -0.06103 -0.01710 82 7D+2 -0.11008 -0.19112 -0.15912 -0.04002 -0.02825 83 7D-2 -0.02547 0.08498 0.00674 -0.00968 0.03121 84 8D 0 -0.08305 0.18443 -0.15175 -0.17131 0.06207 85 8D+1 0.05125 -0.22813 0.43142 0.17984 0.13937 86 8D-1 0.23277 -0.31121 0.42100 0.18759 0.06616 87 8D+2 0.30835 0.57586 0.49635 0.10260 0.08339 88 8D-2 0.06769 -0.25390 -0.02057 0.03251 -0.09520 89 5 Cu 1S -0.00260 -0.01235 -0.00167 -0.00040 -0.08160 90 2S -0.06629 -0.04352 -0.00465 -0.06326 -0.16714 91 3S -0.84708 -0.11803 -0.00995 -0.86956 -0.46953 92 4PX -0.01621 0.00523 -0.00928 -0.01182 -0.00682 93 4PY -0.00780 0.00644 -0.01053 -0.01104 -0.00082 94 4PZ -0.00290 -0.00909 0.00564 -0.01154 -0.00118 95 5PX 0.70602 -0.27194 0.96580 0.08848 0.25578 96 5PY -0.28342 0.13088 1.15059 0.59610 0.05370 97 5PZ 0.01748 0.46913 -0.61505 0.73962 0.12159 98 6PX -0.45764 0.27587 -1.65524 -0.02277 -0.36326 99 6PY 0.14759 0.00209 -1.98122 -0.45516 0.01877 100 6PZ 0.39940 -0.38186 1.06936 -0.23931 -0.05936 101 7D 0 -0.09478 0.11782 -0.11799 0.14420 0.00543 102 7D+1 0.06826 0.03265 0.04101 0.05687 0.03288 103 7D-1 0.03360 0.03497 0.14313 0.14841 0.03964 104 7D+2 0.07587 -0.07408 0.13239 0.01951 0.02145 105 7D-2 -0.11206 0.01501 0.09372 0.05002 -0.02541 106 8D 0 0.27662 -0.35889 0.36913 -0.43918 -0.01218 107 8D+1 -0.20477 -0.09031 -0.12803 -0.17695 -0.10072 108 8D-1 -0.10719 -0.11087 -0.44923 -0.45378 -0.13125 109 8D+2 -0.22677 0.20882 -0.41499 -0.04977 -0.06726 110 8D-2 0.38335 -0.04469 -0.29316 -0.13218 0.08822 111 6 Cu 1S -0.01963 0.00074 -0.00005 0.00062 0.33581 112 2S -0.05479 0.00143 -0.00010 -0.00542 0.77499 113 3S 0.11393 -0.00823 -0.00412 0.97497 -1.01559 114 4PX 0.00147 -0.06465 -0.00199 -0.02065 0.00467 115 4PY -0.00104 -0.04002 -0.00141 0.03562 -0.00630 116 4PZ 0.00572 -0.00151 0.00019 -0.06252 -0.02043 117 5PX 0.08436 1.92836 0.05362 0.74433 0.15610 118 5PY -0.20098 1.18047 0.03993 -1.27378 -0.29274 119 5PZ 0.10264 0.03901 -0.00678 1.89572 0.36191 120 6PX 0.17627 -0.80161 -0.02082 -0.29184 0.28082 121 6PY -0.30913 -0.49534 -0.01622 0.49384 -0.47206 122 6PZ 0.52365 -0.01283 0.00259 -0.53154 0.28303 123 7D 0 -0.04490 -0.00670 0.00131 -0.30728 0.04389 124 7D+1 0.00093 -0.17847 -0.00434 0.02410 -0.00965 125 7D-1 0.00626 -0.11432 -0.00287 -0.02765 0.01479 126 7D+2 -0.02231 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7D+1 -0.07121 -0.08247 -0.00403 0.02462 0.00815 147 7D-1 0.09608 -0.05260 -0.00176 -0.03847 -0.01204 148 7D+2 0.09989 0.11631 0.00230 -0.00215 0.00103 149 7D-2 0.17866 -0.05537 -0.00031 -0.00125 0.00272 150 8D 0 -0.96202 0.00404 -0.00060 0.13545 0.02767 151 8D+1 0.20554 0.24181 0.01227 -0.06844 -0.02391 152 8D-1 -0.27818 0.15427 0.00546 0.10704 0.03512 153 8D+2 -0.28688 -0.34606 -0.00682 0.01203 -0.00074 154 8D-2 -0.51365 0.16503 0.00088 0.01523 -0.00383 155 8 C 1S -0.00302 -0.00008 0.00005 -0.01123 -0.02485 156 2S 0.08893 0.00078 -0.00141 0.37553 -0.00580 157 3S -0.13465 -0.00318 0.00302 -0.70343 -2.20297 158 4PX -0.01728 0.08923 0.00306 -0.06616 -0.19850 159 4PY 0.02320 0.05669 0.00123 0.10374 0.32323 160 4PZ 0.03996 0.00265 -0.00049 0.15429 0.06418 161 5PX 0.02098 -0.38323 -0.01138 -0.05747 -0.39347 162 5PY -0.01957 -0.23722 -0.00765 0.10545 0.67103 163 5PZ -0.04778 -0.01125 0.00112 -0.41704 -0.37511 164 9 O 1S -0.00196 0.00005 -0.00001 -0.00078 0.07267 165 2S 0.03022 -0.00121 0.00034 -0.00792 -1.71158 166 3S -0.02301 0.00186 -0.00121 0.17225 3.26888 167 4PX 0.00104 -0.03091 -0.00106 -0.00862 0.00223 168 4PY 0.00022 -0.01837 -0.00069 0.01410 -0.00067 169 4PZ -0.00421 -0.00132 -0.00008 -0.01872 -0.05372 170 5PX -0.00414 0.10517 0.00361 0.00346 -0.51989 171 5PY 0.00189 0.06587 0.00199 -0.00525 0.83841 172 5PZ 0.00378 0.00453 0.00016 0.05780 0.34319 166 167 168 169 170 V V V V V EIGENVALUES -- 1.79807 1.80481 1.82086 2.17677 2.24174 1 1 Cu 1S -0.48071 0.15214 -0.84777 0.74087 0.72238 2 2S -1.00351 0.33312 -1.79479 1.39790 1.36228 3 3S 0.13432 -0.03604 0.62406 -2.40780 -2.22754 4 4PX -0.00262 0.00291 0.01393 -0.00930 0.02359 5 4PY 0.01773 -0.00549 0.02601 0.01648 0.02046 6 4PZ -0.00662 0.01163 -0.01911 -0.02824 -0.00346 7 5PX -0.18595 -0.19172 -0.56866 0.36623 -0.20204 8 5PY -0.70353 0.20628 -1.05738 0.00655 -0.11160 9 5PZ 0.69924 -0.34534 0.77027 0.18100 -0.24388 10 6PX -0.14518 0.00918 0.14417 -0.86950 0.96443 11 6PY 0.20680 -0.10463 0.40740 -0.11339 -0.02938 12 6PZ -0.12806 0.13027 -0.33466 -0.83957 0.25050 13 7D 0 -0.00249 -0.04761 -0.01857 0.03934 -0.03383 14 7D+1 -0.01229 -0.04475 0.04553 0.02318 -0.01455 15 7D-1 -0.08505 0.04655 -0.08561 -0.03367 0.00346 16 7D+2 -0.07845 0.00023 0.02757 -0.02051 0.00962 17 7D-2 0.01775 0.03420 0.08172 -0.04385 0.04978 18 8D 0 -0.00429 0.14762 0.06100 -0.13580 0.11544 19 8D+1 0.05268 0.15118 -0.16411 -0.06943 0.06251 20 8D-1 0.28751 -0.14825 0.28649 0.10396 -0.02170 21 8D+2 0.24989 0.00109 -0.09735 0.07742 -0.02471 22 8D-2 -0.06394 -0.10789 -0.27092 0.16002 -0.16449 23 2 Cu 1S -0.09669 -0.75264 0.56473 0.96889 -0.50896 24 2S -0.19743 -1.59230 1.18566 1.82647 -0.95762 25 3S -0.47494 0.49185 -0.57529 -2.96445 1.42592 26 4PX 0.00203 0.02833 -0.01732 0.02885 -0.01811 27 4PY 0.01100 0.01591 -0.00011 0.00185 -0.01835 28 4PZ 0.00714 0.00623 -0.01327 0.02132 0.01470 29 5PX -0.52916 -1.22008 0.74863 0.09981 -0.12083 30 5PY -0.11070 -0.51053 0.00309 0.06235 0.30515 31 5PZ 0.00507 -0.25888 0.54806 -0.18503 -0.31855 32 6PX 0.09751 0.45570 -0.29560 0.27232 -0.13178 33 6PY 0.18988 0.27360 0.01862 -0.47134 -0.78612 34 6PZ -0.06322 0.05119 -0.22572 0.30796 1.00603 35 7D 0 -0.02475 -0.03396 -0.02844 0.01802 0.02998 36 7D+1 0.03201 0.02396 -0.08517 0.03410 0.04777 37 7D-1 0.06400 -0.05556 0.05467 -0.00443 -0.00202 38 7D+2 0.03208 0.03224 -0.03062 0.00647 0.02166 39 7D-2 0.03726 0.10472 0.00308 -0.01281 -0.05125 40 8D 0 0.09766 0.10844 0.09416 -0.06018 -0.09944 41 8D+1 -0.09472 -0.08264 0.27782 -0.10620 -0.16889 42 8D-1 -0.21212 0.19424 -0.19030 -0.00682 0.01410 43 8D+2 -0.12651 -0.10741 0.09867 -0.01820 -0.08246 44 8D-2 -0.11408 -0.34076 -0.00396 0.05603 0.17331 45 3 Cu 1S -0.37817 0.88304 0.00074 -0.09997 -1.06913 46 2S -0.79382 1.85536 0.00132 -0.18810 -2.01002 47 3S -0.34786 -1.14484 0.00651 0.29844 2.77697 48 4PX -0.00065 -0.00704 -0.00983 -0.02630 -0.00504 49 4PY -0.00522 0.01818 -0.00531 -0.01185 0.02141 50 4PZ 0.02306 -0.02290 -0.00124 -0.00614 -0.02784 51 5PX -0.28802 0.24042 0.33558 0.42542 -0.18584 52 5PY 0.74263 -0.65947 0.17171 0.23810 0.26233 53 5PZ -0.67105 1.01690 0.04011 0.05661 -0.04242 54 6PX 0.05124 -0.12449 -0.12608 -1.24657 -0.07228 55 6PY -0.21799 0.30209 -0.06242 -0.61551 0.39068 56 6PZ 0.31908 -0.40018 -0.01168 -0.15576 0.06878 57 7D 0 0.06092 0.01009 -0.01358 -0.01510 -0.01325 58 7D+1 0.01756 -0.05879 -0.06574 -0.07021 0.00496 59 7D-1 -0.06816 0.08765 -0.02808 -0.02911 0.00553 60 7D+2 -0.01939 -0.03324 -0.03951 -0.04014 -0.00951 61 7D-2 -0.01171 -0.06713 0.03713 0.03601 -0.02276 62 8D 0 -0.18470 -0.03773 0.04306 0.05200 0.05058 63 8D+1 -0.06305 0.19721 0.21001 0.23884 -0.03019 64 8D-1 0.23338 -0.28872 0.08955 0.10119 0.00172 65 8D+2 0.07673 0.12011 0.12537 0.13668 0.02918 66 8D-2 0.05511 0.23675 -0.11842 -0.12528 0.06855 67 4 Cu 1S -0.13679 -0.76328 -0.54754 -1.04085 -0.31682 68 2S -0.28065 -1.61549 -1.15001 -1.96246 -0.59501 69 3S -0.37685 0.49616 0.57108 3.23030 0.92694 70 4PX -0.01158 -0.02997 -0.01149 0.02552 0.01789 71 4PY 0.00380 -0.01499 -0.01511 0.02423 -0.00116 72 4PZ 0.00542 -0.00053 0.00965 -0.01107 0.02198 73 5PX 0.42003 1.15564 0.49080 0.02650 -0.14003 74 5PY 0.36852 0.73364 0.63955 0.06146 0.25968 75 5PZ 0.09266 0.01340 -0.39496 0.12568 -0.35563 76 6PX -0.19921 -0.49537 -0.18295 -0.05516 0.55498 77 6PY 0.05421 -0.20810 -0.26302 0.42262 -0.53517 78 6PZ -0.09407 -0.06385 0.16700 -0.06254 1.10150 79 7D 0 -0.04220 -0.02608 0.01099 -0.00216 0.01352 80 7D+1 -0.05064 0.06333 -0.00850 0.01166 -0.04456 81 7D-1 0.01792 -0.04198 -0.09516 0.02034 -0.04356 82 7D+2 0.03938 0.07422 -0.02286 0.00344 -0.05260 83 7D-2 0.04890 0.07293 0.04384 -0.00904 0.01386 84 8D 0 0.15037 0.08195 -0.03930 0.00505 -0.04303 85 8D+1 0.15846 -0.21358 0.01780 -0.05470 0.15075 86 8D-1 -0.07424 0.14774 0.31769 -0.04778 0.15161 87 8D+2 -0.11510 -0.23903 0.07042 -0.01761 0.18303 88 8D-2 -0.17427 -0.24087 -0.14401 0.01975 -0.05463 89 5 Cu 1S -0.48583 0.16098 0.85558 -0.56192 0.84837 90 2S -1.01341 0.35139 1.81052 -1.06020 1.59853 91 3S 0.17133 -0.04825 -0.62330 1.83884 -2.66345 92 4PX -0.01177 0.00107 0.02566 -0.00299 -0.02908 93 4PY 0.01202 -0.00676 -0.00535 -0.02134 -0.00404 94 4PZ -0.00710 0.01149 0.02366 0.02448 -0.01522 95 5PX 0.56987 -0.00735 -1.05191 0.27542 0.20430 96 5PY -0.30211 0.30575 0.21421 0.34499 0.06327 97 5PZ 0.75585 -0.33395 -0.96449 -0.14969 -0.16542 98 6PX -0.08813 0.06711 0.36196 -0.82736 -0.38893 99 6PY 0.21945 -0.06867 -0.15229 -0.87770 -0.68943 100 6PZ -0.07755 0.14193 0.38923 0.67418 -0.04721 101 7D 0 0.01060 -0.03736 0.01571 -0.03982 -0.01993 102 7D+1 0.07598 0.00716 -0.06920 0.00951 0.02423 103 7D-1 -0.05168 0.06906 0.07687 0.05194 0.01044 104 7D+2 0.02920 0.03827 -0.04897 0.04501 0.03405 105 7D-2 -0.06606 -0.00021 -0.06315 0.03186 0.01794 106 8D 0 -0.05075 0.11294 -0.05519 0.13812 0.06602 107 8D+1 -0.25995 -0.02566 0.22511 -0.03732 -0.07905 108 8D-1 0.16563 -0.22567 -0.26535 -0.16838 -0.05064 109 8D+2 -0.09730 -0.12152 0.16003 -0.15772 -0.11508 110 8D-2 0.20959 0.00470 0.21694 -0.11844 -0.04732 111 6 Cu 1S 0.06400 0.00379 -0.00337 -0.00327 0.14893 112 2S 0.25057 0.03137 -0.00854 -0.00717 0.26739 113 3S 3.08623 0.69577 -0.01928 -0.01106 -0.33174 114 4PX 0.03531 0.00724 -0.00044 -0.03351 0.02373 115 4PY -0.05622 -0.01104 0.00071 -0.01981 -0.04056 116 4PZ -0.03991 -0.00899 0.00043 -0.00060 0.02801 117 5PX -1.23281 -0.26431 -0.00827 0.47177 -0.54177 118 5PY 1.95987 0.41759 -0.03294 0.27351 0.91069 119 5PZ 1.34012 0.26499 -0.01226 0.00496 -0.37981 120 6PX -0.14887 -0.04125 -0.03178 0.38367 -0.23349 121 6PY 0.24134 0.10002 -0.01359 0.22627 0.40874 122 6PZ 0.22084 -0.00605 -0.01186 0.01315 -0.56926 123 7D 0 -0.03589 0.02172 0.00690 -0.00110 0.02665 124 7D+1 -0.01014 0.00352 0.04052 -0.02281 -0.00933 125 7D-1 0.02315 -0.02666 0.01694 -0.01472 0.01305 126 7D+2 -0.01331 -0.03099 0.02723 0.02671 0.00059 127 7D-2 -0.03118 -0.04106 -0.02379 -0.01279 0.00058 128 8D 0 0.13337 -0.08786 -0.02740 0.00367 -0.08202 129 8D+1 0.06229 -0.00764 -0.15850 0.07645 0.04193 130 8D-1 -0.12579 0.09424 -0.06628 0.04926 -0.06051 131 8D+2 0.06325 0.12035 -0.10437 -0.08665 0.00960 132 8D-2 0.14498 0.16209 0.09128 0.04129 0.02106 133 7 Cu 1S 1.10786 0.23923 -0.01243 -0.00121 0.00665 134 2S 2.26989 0.48968 -0.02613 -0.00186 0.01821 135 3S -2.41506 -0.50531 0.01441 0.01628 -0.04220 136 4PX -0.01144 -0.00251 0.00023 -0.02184 0.00467 137 4PY 0.01806 0.00380 -0.00049 -0.01312 -0.00869 138 4PZ 0.01025 0.00208 -0.00011 -0.00062 0.02240 139 5PX 0.37549 0.07299 -0.05114 0.13299 -0.03920 140 5PY -0.59794 -0.08191 -0.00654 0.07508 0.06592 141 5PZ -0.19739 -0.10503 -0.00493 0.00291 -0.10885 142 6PX -0.34621 -0.07441 0.02272 -0.67593 0.24360 143 6PY 0.54265 0.09636 -0.00198 -0.40945 -0.43040 144 6PZ 0.31355 0.08984 0.00960 -0.02600 0.71576 145 7D 0 0.01964 0.03824 0.00942 0.00168 -0.04395 146 7D+1 -0.00974 0.00536 0.05267 0.02855 0.00946 147 7D-1 0.02094 -0.03158 0.02168 0.01868 -0.01378 148 7D+2 0.01046 -0.02896 0.03524 -0.04591 -0.01445 149 7D-2 0.01640 -0.03547 -0.03223 0.02301 -0.02690 150 8D 0 -0.07112 -0.14321 -0.03572 -0.00554 0.14427 151 8D+1 0.05513 -0.01593 -0.19834 -0.09409 -0.02630 152 8D-1 -0.10812 0.11232 -0.08139 -0.06149 0.03795 153 8D+2 -0.02780 0.11098 -0.13261 0.15272 0.05090 154 8D-2 -0.03742 0.13827 0.12062 -0.07676 0.09542 155 8 C 1S -0.00304 -0.00061 0.00010 0.00001 -0.00034 156 2S -0.07449 -0.01075 0.00092 -0.00036 -0.17333 157 3S 1.83702 0.41040 -0.00668 -0.00857 1.49703 158 4PX 0.02102 0.00530 0.00272 0.07352 0.04368 159 4PY -0.03664 -0.01118 0.00016 0.04502 -0.06800 160 4PZ 0.04780 0.01452 -0.00003 0.00187 -0.08271 161 5PX 0.01410 0.01061 0.02088 -0.45503 0.33791 162 5PY -0.02891 -0.02431 0.00670 -0.27281 -0.58423 163 5PZ 0.12107 0.04144 0.00434 -0.01150 0.53045 164 9 O 1S -0.02659 -0.00656 -0.00013 0.00010 -0.01818 165 2S 0.66981 0.16722 0.00344 -0.00370 0.65793 166 3S -1.33290 -0.33229 -0.00630 0.00845 -1.53629 167 4PX -0.01755 -0.00333 0.00724 -0.07555 0.01611 168 4PY 0.02961 0.00358 0.00315 -0.04594 -0.02951 169 4PZ -0.00780 0.00317 0.00191 -0.00185 0.05276 170 5PX 0.24279 0.05852 -0.02115 0.25685 0.15150 171 5PY -0.39801 -0.08873 -0.01156 0.15898 -0.23469 172 5PZ -0.06188 -0.03291 -0.00618 0.00663 -0.27639 171 172 V V EIGENVALUES -- 2.55829 9.39938 1 1 Cu 1S -0.68436 -0.54279 2 2S -1.20378 -0.84183 3 3S 0.92080 -1.47972 4 4PX -0.01675 -0.01430 5 4PY -0.02914 -0.02202 6 4PZ 0.02045 0.02795 7 5PX 0.19928 -0.41505 8 5PY -0.03527 -0.11451 9 5PZ -0.23562 0.60252 10 6PX 0.18903 -0.36652 11 6PY -0.15799 0.44768 12 6PZ -0.50012 0.40629 13 7D 0 0.02301 0.00353 14 7D+1 -0.02367 -0.00661 15 7D-1 0.00262 -0.01266 16 7D+2 0.00969 -0.00333 17 7D-2 -0.00850 0.00943 18 8D 0 -0.07236 -0.03468 19 8D+1 0.07639 0.05461 20 8D-1 -0.00728 0.09780 21 8D+2 -0.02608 0.01539 22 8D-2 0.03029 -0.06858 23 2 Cu 1S -0.46347 -0.70957 24 2S -0.81311 -1.10328 25 3S 0.06042 -1.37731 26 4PX -0.02278 -0.04982 27 4PY -0.00822 -0.00121 28 4PZ -0.01658 -0.00290 29 5PX 0.20863 -0.87808 30 5PY -0.12248 0.14854 31 5PZ -0.05766 0.07852 32 6PX 0.39379 -0.19800 33 6PY 0.05006 0.14042 34 6PZ -0.13232 -0.01983 35 7D 0 -0.02040 -0.00270 36 7D+1 -0.02335 0.00482 37 7D-1 0.00743 -0.00021 38 7D+2 0.01890 0.01167 39 7D-2 -0.01951 0.00649 40 8D 0 0.06717 0.04253 41 8D+1 0.07515 -0.03287 42 8D-1 -0.03243 0.00471 43 8D+2 -0.05756 -0.10799 44 8D-2 0.06109 -0.03757 45 3 Cu 1S -0.35383 -0.80128 46 2S -0.62380 -1.24304 47 3S -0.56628 -0.94253 48 4PX -0.00139 -0.02101 49 4PY 0.00622 0.04680 50 4PZ -0.02140 -0.02916 51 5PX 0.09626 -0.38224 52 5PY -0.16345 0.78365 53 5PZ -0.08571 -0.20282 54 6PX 0.05806 0.05080 55 6PY -0.20797 -0.06801 56 6PZ 0.24830 -0.22591 57 7D 0 -0.02061 0.00287 58 7D+1 -0.00089 0.00263 59 7D-1 -0.00040 -0.00675 60 7D+2 -0.02034 -0.00340 61 7D-2 -0.02916 -0.00272 62 8D 0 0.05790 -0.00715 63 8D+1 0.00675 -0.03430 64 8D-1 -0.00179 0.08067 65 8D+2 0.06631 0.04318 66 8D-2 0.09603 0.04176 67 4 Cu 1S -0.50482 -0.67552 68 2S -0.88473 -1.05124 69 3S 0.26921 -1.48342 70 4PX 0.02358 0.02782 71 4PY 0.01793 0.03732 72 4PZ -0.01146 0.00599 73 5PX -0.01954 0.34764 74 5PY -0.25813 0.78800 75 5PZ -0.08068 0.20840 76 6PX -0.20884 -0.05637 77 6PY -0.30790 0.31953 78 6PZ -0.24678 0.06469 79 7D 0 -0.01273 -0.00409 80 7D+1 0.00922 0.00034 81 7D-1 0.02994 -0.00177 82 7D+2 -0.02277 0.00163 83 7D-2 0.00410 0.01512 84 8D 0 0.04377 0.04721 85 8D+1 -0.02428 -0.01122 86 8D-1 -0.10047 0.00377 87 8D+2 0.06871 0.00473 88 8D-2 -0.01046 -0.12240 89 5 Cu 1S -0.70827 -0.52450 90 2S -1.24564 -0.81249 91 3S 0.99512 -1.41152 92 4PX 0.02914 0.02124 93 4PY -0.00547 -0.00363 94 4PZ 0.02740 0.03096 95 5PX -0.03263 0.18620 96 5PY -0.16032 0.21781 97 5PZ -0.27185 0.64743 98 6PX 0.11036 -0.28401 99 6PY -0.23570 0.53662 100 6PZ -0.49410 0.43534 101 7D 0 0.02693 0.00764 102 7D+1 0.00133 0.01409 103 7D-1 0.01857 -0.00285 104 7D+2 -0.00939 0.00664 105 7D-2 0.00281 -0.00098 106 8D 0 -0.08478 -0.06577 107 8D+1 -0.00515 -0.10715 108 8D-1 -0.05815 0.02020 109 8D+2 0.03070 -0.04532 110 8D-2 -0.00391 -0.00142 111 6 Cu 1S 0.68891 -3.27923 112 2S 1.21013 -5.28627 113 3S -3.84454 10.44668 114 4PX 0.03163 0.04146 115 4PY -0.05008 -0.06540 116 4PZ -0.03739 -0.06384 117 5PX 0.69978 -3.68168 118 5PY -1.12773 5.87300 119 5PZ -0.82360 3.86533 120 6PX -0.65267 0.31067 121 6PY 1.07789 -0.55519 122 6PZ -0.07908 1.28668 123 7D 0 -0.00434 -0.02050 124 7D+1 -0.01968 -0.03718 125 7D-1 0.03195 0.05969 126 7D+2 -0.01422 -0.03043 127 7D-2 -0.02844 -0.06274 128 8D 0 -0.00217 0.14526 129 8D+1 0.04702 0.26720 130 8D-1 -0.07722 -0.42838 131 8D+2 0.02902 0.22088 132 8D-2 0.05664 0.45427 133 7 Cu 1S -1.10151 -0.73965 134 2S -1.89093 -1.24274 135 3S 4.46686 -0.16560 136 4PX -0.03565 -0.02334 137 4PY 0.05642 0.03693 138 4PZ 0.04410 0.03471 139 5PX 0.52715 -0.47554 140 5PY -0.83685 0.75710 141 5PZ -0.74537 0.64595 142 6PX 0.53620 0.16432 143 6PY -0.87122 -0.23178 144 6PZ -0.41138 -0.98162 145 7D 0 0.00440 0.00067 146 7D+1 0.00602 -0.01553 147 7D-1 -0.00954 0.02459 148 7D+2 0.00594 -0.00940 149 7D-2 0.01189 -0.01942 150 8D 0 -0.01289 -0.01001 151 8D+1 -0.02680 0.11497 152 8D-1 0.04236 -0.18202 153 8D+2 -0.02394 0.06625 154 8D-2 -0.04790 0.13764 155 8 C 1S 0.00654 -0.05252 156 2S 0.40914 -0.97192 157 3S -0.13024 4.59814 158 4PX -0.01752 -0.06775 159 4PY 0.02463 0.10596 160 4PZ 0.08108 0.11959 161 5PX 0.96018 -2.16440 162 5PY -1.53701 3.46919 163 5PZ -0.86733 1.83082 164 9 O 1S -0.01276 -0.00954 165 2S 0.70550 -0.46661 166 3S -1.76672 1.62486 167 4PX 0.00534 -0.09578 168 4PY -0.00487 0.15047 169 4PZ -0.07983 0.14457 170 5PX 0.15035 0.27052 171 5PY -0.26175 -0.40977 172 5PZ 0.27741 -0.69203 Beta Molecular Orbital Coefficients. 1 2 3 4 5 O O O O O EIGENVALUES -- -19.26306 -10.34411 -4.34241 -4.29724 -4.29551 1 1 Cu 1S -0.00002 0.00006 0.00061 0.02649 0.01291 2 2S -0.00002 0.00000 -0.00081 -0.00056 0.00012 3 3S 0.00026 -0.00112 -0.00222 -0.00134 -0.00255 4 4PX 0.00000 0.00002 -0.00006 -0.00007 0.00000 5 4PY 0.00000 0.00000 -0.00003 -0.00023 -0.00002 6 4PZ 0.00000 -0.00002 0.00009 0.00012 0.00004 7 5PX 0.00008 -0.00026 -0.00115 0.00041 -0.00009 8 5PY 0.00001 0.00023 0.00004 -0.00106 -0.00050 9 5PZ -0.00012 0.00021 0.00171 -0.00056 0.00089 10 6PX 0.00027 0.00019 -0.00084 -0.00003 0.00055 11 6PY -0.00046 -0.00017 0.00064 -0.00035 0.00035 12 6PZ -0.00028 0.00006 0.00081 0.00010 0.00031 13 7D 0 0.00000 0.00000 -0.00002 0.00003 -0.00001 14 7D+1 0.00001 -0.00003 0.00003 0.00001 -0.00002 15 7D-1 0.00000 0.00003 0.00000 0.00003 0.00000 16 7D+2 0.00000 0.00001 -0.00001 0.00006 0.00000 17 7D-2 0.00000 -0.00002 0.00000 -0.00001 0.00002 18 8D 0 0.00000 -0.00002 -0.00006 0.00000 -0.00001 19 8D+1 -0.00003 0.00013 0.00006 -0.00002 0.00010 20 8D-1 0.00003 -0.00017 0.00011 -0.00011 0.00001 21 8D+2 0.00000 -0.00003 -0.00001 -0.00004 0.00000 22 8D-2 -0.00002 0.00010 -0.00007 0.00006 -0.00005 23 2 Cu 1S -0.00008 0.00032 0.00054 0.03686 0.23805 24 2S -0.00013 0.00045 -0.00101 -0.00044 0.00166 25 3S -0.00025 -0.00074 -0.00236 -0.00135 0.00128 26 4PX -0.00001 0.00004 -0.00013 -0.00026 -0.00127 27 4PY 0.00000 -0.00002 0.00002 -0.00012 -0.00036 28 4PZ 0.00000 -0.00001 0.00001 -0.00014 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-0.00006 -0.00044 0.00039 -0.00020 -0.00018 44 8D-2 -0.00144 0.00055 -0.00084 -0.00002 0.00035 45 3 Cu 1S -0.00007 0.00181 0.00037 -0.00023 0.00180 46 2S -0.00012 -0.00159 -0.00070 0.00162 -0.00229 47 3S -0.00046 0.03096 0.01101 -0.01812 0.02587 48 4PX 0.59108 0.20081 0.12096 -0.04491 0.02277 49 4PY 0.32109 -0.37858 -0.06379 0.15319 -0.24195 50 4PZ 0.07167 0.39805 0.07839 -0.08045 0.24857 51 5PX 0.01036 0.00485 0.00461 0.00050 0.00166 52 5PY 0.00570 -0.01214 -0.00055 0.00394 -0.00737 53 5PZ 0.00073 0.01665 0.00490 -0.00559 0.00621 54 6PX -0.00955 -0.00126 0.00575 0.00145 0.00297 55 6PY -0.00515 -0.00065 0.00157 0.00435 -0.00205 56 6PZ -0.00066 -0.00437 0.00160 -0.00314 0.00280 57 7D 0 -0.00030 -0.00023 0.00002 -0.00011 -0.00035 58 7D+1 -0.00133 -0.00063 -0.00030 0.00011 -0.00009 59 7D-1 -0.00057 0.00124 0.00020 -0.00035 0.00064 60 7D+2 -0.00095 0.00044 -0.00001 -0.00022 0.00043 61 7D-2 0.00084 0.00051 0.00024 -0.00016 0.00037 62 8D 0 0.00052 -0.00075 -0.00040 0.00070 0.00040 63 8D+1 0.00199 0.00055 0.00033 0.00004 -0.00051 64 8D-1 0.00095 -0.00048 0.00009 -0.00019 0.00072 65 8D+2 0.00108 0.00002 0.00035 0.00001 -0.00061 66 8D-2 -0.00109 0.00009 -0.00013 -0.00020 -0.00121 67 4 Cu 1S -0.00003 -0.00035 0.00059 -0.00111 -0.00201 68 2S -0.00105 0.00000 0.00309 0.00190 0.00164 69 3S 0.00807 0.00262 -0.01710 -0.02695 -0.03240 70 4PX -0.37707 -0.05437 0.11410 0.22051 0.42662 71 4PY -0.05559 0.16404 0.30764 0.50471 0.20775 72 4PZ -0.25497 -0.27899 -0.22840 -0.28944 0.15393 73 5PX -0.01063 -0.00157 0.00496 0.01155 0.01437 74 5PY -0.00386 0.00314 0.00849 0.01416 0.00643 75 5PZ -0.00442 -0.00272 -0.00365 -0.00861 0.00299 76 6PX 0.00597 0.00303 0.00077 -0.00034 0.00456 77 6PY 0.00077 -0.00473 -0.00081 -0.00168 0.00279 78 6PZ -0.00006 0.00529 0.00685 0.00307 -0.00151 79 7D 0 0.00054 -0.00001 -0.00030 -0.00056 -0.00069 80 7D+1 -0.00062 -0.00071 -0.00044 -0.00050 0.00011 81 7D-1 -0.00047 -0.00058 -0.00047 -0.00067 0.00029 82 7D+2 -0.00071 -0.00039 -0.00040 -0.00058 0.00035 83 7D-2 -0.00073 0.00025 0.00072 0.00125 0.00101 84 8D 0 -0.00033 -0.00011 -0.00035 -0.00022 0.00021 85 8D+1 0.00175 0.00149 0.00010 -0.00032 0.00013 86 8D-1 0.00052 0.00067 0.00047 0.00107 -0.00047 87 8D+2 0.00110 0.00044 0.00076 0.00091 0.00012 88 8D-2 0.00038 -0.00038 -0.00001 -0.00039 -0.00010 89 5 Cu 1S -0.00062 0.00112 0.00121 -0.00033 0.00019 90 2S -0.00123 0.00177 0.00196 -0.00060 0.00106 91 3S 0.00629 -0.00308 -0.00077 -0.00601 -0.01131 92 4PX 0.00055 -0.02186 0.10356 -0.25914 0.30638 93 4PY -0.04821 -0.14492 -0.09689 -0.30841 0.18118 94 4PZ 0.04347 0.15196 0.20303 0.19670 0.05626 95 5PX 0.00000 -0.00081 0.00429 -0.00167 0.00955 96 5PY -0.00154 -0.00241 -0.00082 -0.00600 0.00249 97 5PZ 0.00148 0.00436 0.00545 0.00402 0.00350 98 6PX -0.00272 -0.00298 -0.00382 0.00571 -0.00207 99 6PY -0.00170 0.00222 0.00597 0.00477 -0.00062 100 6PZ -0.00304 0.00102 -0.00415 -0.00263 0.00110 101 7D 0 0.00009 0.00041 0.00034 0.00077 -0.00016 102 7D+1 0.00010 0.00017 0.00052 -0.00020 0.00066 103 7D-1 -0.00019 -0.00046 -0.00036 -0.00083 0.00036 104 7D+2 -0.00002 -0.00019 0.00010 -0.00073 0.00062 105 7D-2 -0.00011 -0.00025 -0.00007 -0.00046 0.00033 106 8D 0 -0.00019 -0.00070 -0.00021 -0.00127 0.00039 107 8D+1 -0.00034 0.00034 -0.00009 0.00033 -0.00026 108 8D-1 0.00060 0.00099 0.00086 0.00160 -0.00026 109 8D+2 -0.00005 0.00072 0.00024 0.00144 -0.00060 110 8D-2 0.00031 0.00012 -0.00078 0.00046 -0.00119 111 6 Cu 1S -0.00008 0.00021 -0.00021 0.00053 0.00081 112 2S -0.00007 0.00033 0.00025 -0.00034 -0.00020 113 3S -0.00109 0.00277 -0.00524 0.01236 0.01759 114 4PX -0.00406 -0.00103 0.00963 0.00208 -0.00084 115 4PY -0.00232 -0.00351 0.00260 0.00642 0.00152 116 4PZ -0.00117 0.00677 0.00279 -0.00171 0.00562 117 5PX -0.00307 -0.00233 0.00504 0.00429 0.00152 118 5PY -0.00222 -0.00033 0.00470 -0.00021 -0.00216 119 5PZ -0.00121 0.00734 0.00357 -0.00330 0.00222 120 6PX -0.00355 0.00059 0.00700 0.00108 0.00016 121 6PY -0.00154 -0.00527 0.00117 0.00437 -0.00191 122 6PZ -0.00080 0.00546 0.00169 -0.00053 0.00547 123 7D 0 -0.00003 0.00016 0.00012 -0.00014 0.00001 124 7D+1 -0.00008 -0.00008 0.00010 0.00010 -0.00003 125 7D-1 -0.00006 0.00007 0.00012 0.00002 0.00012 126 7D+2 0.00012 0.00018 -0.00026 -0.00018 0.00013 127 7D-2 -0.00008 0.00014 0.00022 0.00001 0.00018 128 8D 0 0.00022 -0.00089 -0.00053 0.00060 0.00010 129 8D+1 0.00067 0.00032 -0.00038 -0.00039 0.00024 130 8D-1 0.00036 -0.00016 -0.00049 -0.00003 -0.00083 131 8D+2 -0.00043 -0.00088 0.00132 0.00108 -0.00081 132 8D-2 0.00023 -0.00069 -0.00128 0.00012 -0.00104 133 7 Cu 1S -0.00027 0.00133 0.00033 -0.00001 0.00104 134 2S -0.00025 0.00134 0.00071 -0.00082 -0.00008 135 3S 0.00354 -0.02594 -0.02831 0.04631 0.04062 136 4PX -0.15472 -0.15730 0.15768 0.27895 0.15441 137 4PY -0.12112 0.06204 0.29494 -0.16294 -0.23102 138 4PZ -0.07530 0.44800 0.29433 -0.37788 -0.13404 139 5PX -0.00555 -0.00637 0.00593 0.01254 0.00779 140 5PY -0.00448 0.00298 0.01283 -0.00817 -0.01171 141 5PZ -0.00271 0.01695 0.01209 -0.01606 -0.00640 142 6PX 0.00557 -0.00077 -0.00820 -0.00045 0.00114 143 6PY 0.00230 0.00667 -0.00081 -0.00579 -0.00328 144 6PZ 0.00135 -0.00662 -0.00135 -0.00065 -0.00367 145 7D 0 0.00002 -0.00017 -0.00011 0.00011 -0.00013 146 7D+1 0.00009 -0.00017 -0.00032 0.00013 0.00014 147 7D-1 -0.00002 0.00039 0.00015 -0.00039 -0.00015 148 7D+2 0.00002 -0.00009 -0.00005 0.00021 0.00015 149 7D-2 0.00003 -0.00021 -0.00024 0.00032 0.00025 150 8D 0 0.00002 0.00054 0.00040 -0.00034 0.00124 151 8D+1 -0.00002 0.00009 0.00114 0.00009 -0.00034 152 8D-1 0.00001 -0.00060 0.00014 0.00091 0.00000 153 8D+2 0.00039 0.00036 -0.00042 -0.00073 -0.00057 154 8D-2 -0.00037 0.00040 0.00074 -0.00050 -0.00078 155 8 C 1S 0.00000 0.00000 -0.00002 0.00004 0.00004 156 2S 0.00003 -0.00028 -0.00038 0.00063 0.00029 157 3S -0.00007 0.00074 0.00217 -0.00405 -0.00397 158 4PX 0.00000 0.00006 -0.00015 -0.00006 0.00007 159 4PY 0.00002 -0.00006 -0.00008 -0.00011 -0.00011 160 4PZ 0.00001 -0.00006 -0.00004 0.00001 -0.00025 161 5PX 0.00109 -0.00061 -0.00117 -0.00058 -0.00091 162 5PY 0.00026 0.00204 -0.00035 0.00002 0.00150 163 5PZ 0.00017 -0.00119 -0.00049 0.00047 0.00039 164 9 O 1S 0.00000 -0.00001 0.00000 -0.00001 -0.00002 165 2S 0.00004 -0.00022 0.00010 -0.00029 -0.00041 166 3S -0.00019 0.00094 -0.00045 0.00130 0.00190 167 4PX 0.00003 0.00000 0.00004 0.00000 0.00000 168 4PY 0.00001 0.00000 0.00000 0.00005 -0.00002 169 4PZ 0.00001 -0.00003 -0.00003 0.00006 0.00014 170 5PX -0.00025 -0.00016 0.00015 -0.00012 -0.00029 171 5PY -0.00017 0.00003 -0.00003 0.00023 0.00055 172 5PZ -0.00006 0.00039 0.00021 -0.00029 -0.00044 21 22 23 24 25 O O O O O EIGENVALUES -- -2.80271 -2.80231 -2.80189 -2.80178 -2.80131 1 1 Cu 1S -0.00041 -0.00109 -0.00264 0.00102 0.00120 2 2S 0.00233 0.00024 0.00378 0.00020 -0.00140 3 3S -0.02899 -0.01378 -0.03709 0.00935 0.01329 4 4PX -0.34475 0.08545 0.06557 0.28420 0.57912 5 4PY -0.36655 -0.16046 -0.43530 0.11569 0.17478 6 4PZ 0.23290 0.25077 0.59135 0.07762 0.20083 7 5PX -0.00818 0.00035 0.00027 0.00804 0.01429 8 5PY -0.01393 -0.00552 -0.01291 0.00365 0.00468 9 5PZ 0.00982 0.00689 0.01546 0.00123 0.00479 10 6PX 0.00562 0.00196 -0.01277 0.00174 -0.01895 11 6PY 0.00182 0.00046 -0.00502 -0.00010 0.00149 12 6PZ 0.00333 0.00046 -0.00353 0.00210 -0.01538 13 7D 0 -0.00010 0.00032 0.00053 0.00034 0.00046 14 7D+1 -0.00070 -0.00012 -0.00073 0.00034 0.00061 15 7D-1 -0.00096 -0.00066 -0.00138 0.00007 0.00006 16 7D+2 -0.00017 -0.00035 -0.00083 -0.00002 -0.00001 17 7D-2 0.00098 0.00001 0.00029 -0.00051 -0.00069 18 8D 0 -0.00009 -0.00008 0.00049 0.00018 0.00190 19 8D+1 -0.00038 0.00012 0.00150 -0.00012 0.00035 20 8D-1 0.00053 0.00030 -0.00107 -0.00028 -0.00082 21 8D+2 -0.00080 0.00014 0.00030 -0.00027 -0.00124 22 8D-2 -0.00077 -0.00010 -0.00016 -0.00016 -0.00241 23 2 Cu 1S 0.00100 0.00187 0.00155 -0.00015 0.00018 24 2S -0.00071 -0.00175 -0.00028 -0.00130 -0.00100 25 3S 0.00892 0.01673 0.01328 0.00117 0.00087 26 4PX 0.17930 0.27256 0.10869 0.04325 0.04245 27 4PY 0.28205 0.19684 -0.33803 -0.03123 -0.13233 28 4PZ -0.18171 -0.08050 0.43467 0.03588 0.12755 29 5PX 0.00505 0.00672 0.00339 0.00028 0.00002 30 5PY 0.00481 0.00451 -0.00888 -0.00061 -0.00338 31 5PZ -0.00352 -0.00153 0.01134 0.00040 0.00311 32 6PX -0.00159 0.00397 0.00342 0.00091 0.00310 33 6PY -0.00664 -0.00653 0.01079 -0.00115 0.01280 34 6PZ 0.00592 0.01057 -0.00972 0.00226 -0.01192 35 7D 0 0.00041 0.00042 -0.00006 0.00004 0.00007 36 7D+1 0.00021 -0.00005 -0.00065 -0.00006 -0.00007 37 7D-1 -0.00019 -0.00033 -0.00015 -0.00005 -0.00007 38 7D+2 -0.00026 -0.00052 -0.00035 -0.00010 -0.00012 39 7D-2 -0.00059 -0.00033 0.00041 0.00007 0.00011 40 8D 0 0.00009 0.00026 -0.00147 -0.00007 -0.00086 41 8D+1 0.00035 0.00022 -0.00200 -0.00034 -0.00148 42 8D-1 0.00062 0.00132 0.00101 0.00028 0.00053 43 8D+2 0.00016 0.00011 -0.00023 -0.00016 -0.00032 44 8D-2 -0.00059 -0.00132 0.00157 -0.00019 0.00096 45 3 Cu 1S -0.00289 0.00038 0.00005 -0.00001 -0.00003 46 2S 0.00033 -0.00018 -0.00117 -0.00127 0.00007 47 3S -0.02100 0.00312 -0.00037 -0.00049 0.00013 48 4PX -0.02052 0.59250 -0.15499 0.15508 -0.08350 49 4PY 0.23701 0.27910 -0.13725 0.02266 -0.03548 50 4PZ -0.19470 0.09717 -0.00327 0.02869 -0.00758 51 5PX -0.00022 0.01472 -0.00410 0.00351 -0.00244 52 5PY 0.00562 0.00691 -0.00272 0.00128 -0.00118 53 5PZ -0.00636 0.00243 -0.00086 -0.00012 -0.00017 54 6PX -0.00204 -0.01513 0.01008 -0.00732 0.01281 55 6PY 0.00198 -0.00865 0.00422 -0.00485 0.00682 56 6PZ -0.00764 -0.00097 0.00215 0.00014 0.00133 57 7D 0 0.00027 -0.00017 0.00003 0.00000 -0.00001 58 7D+1 0.00007 -0.00066 0.00012 -0.00009 -0.00001 59 7D-1 -0.00057 -0.00019 0.00010 0.00001 -0.00001 60 7D+2 -0.00042 -0.00049 0.00021 0.00001 0.00000 61 7D-2 -0.00036 0.00053 0.00002 0.00020 -0.00002 62 8D 0 -0.00060 -0.00033 0.00021 -0.00021 0.00017 63 8D+1 0.00039 -0.00220 0.00084 -0.00117 0.00093 64 8D-1 -0.00052 -0.00078 0.00090 0.00005 0.00035 65 8D+2 0.00053 -0.00138 0.00049 -0.00069 0.00060 66 8D-2 0.00107 0.00095 -0.00095 0.00015 -0.00048 67 4 Cu 1S 0.00058 -0.00221 -0.00011 0.00165 -0.00032 68 2S -0.00041 0.00202 -0.00135 -0.00034 0.00116 69 3S 0.00420 -0.02167 0.00207 0.01413 -0.00261 70 4PX -0.24459 0.41510 -0.03433 0.10937 -0.06653 71 4PY 0.06700 0.10046 -0.04392 -0.32010 0.15166 72 4PZ -0.23380 0.23478 0.00054 0.42094 -0.17499 73 5PX -0.00463 0.01031 -0.00057 0.00261 -0.00224 74 5PY 0.00009 0.00323 -0.00031 -0.00895 0.00296 75 5PZ -0.00472 0.00494 -0.00037 0.01096 -0.00444 76 6PX 0.00504 -0.00203 0.00093 -0.00771 0.01089 77 6PY -0.00141 0.00901 -0.00269 0.00335 -0.00590 78 6PZ 0.00493 -0.01210 0.00403 -0.00929 0.01433 79 7D 0 0.00025 -0.00058 0.00008 0.00019 -0.00012 80 7D+1 -0.00027 0.00001 0.00006 0.00055 -0.00015 81 7D-1 -0.00036 0.00044 -0.00003 0.00035 -0.00001 82 7D+2 -0.00049 0.00036 0.00005 0.00043 -0.00016 83 7D-2 -0.00026 0.00076 -0.00010 -0.00035 0.00012 84 8D 0 -0.00014 0.00009 0.00005 -0.00083 0.00048 85 8D+1 -0.00045 0.00166 -0.00024 0.00081 -0.00086 86 8D-1 0.00005 -0.00052 0.00024 0.00215 -0.00174 87 8D+2 -0.00019 0.00112 -0.00025 0.00146 -0.00118 88 8D-2 0.00005 0.00031 -0.00029 -0.00011 0.00033 89 5 Cu 1S -0.00006 0.00103 0.00093 -0.00277 -0.00104 90 2S 0.00208 -0.00034 0.00005 0.00403 0.00121 91 3S -0.02407 0.01551 0.00958 -0.03964 -0.01203 92 4PX 0.39974 -0.07842 -0.25372 0.28094 0.52728 93 4PY 0.06248 0.17453 -0.14683 -0.32882 0.44426 94 4PZ 0.27176 -0.26130 -0.01222 0.61732 -0.11447 95 5PX 0.01251 -0.00420 -0.00736 0.00940 0.01325 96 5PY -0.00183 0.00415 -0.00378 -0.00853 0.01062 97 5PZ 0.01082 -0.00808 -0.00133 0.01682 -0.00245 98 6PX -0.00498 0.00276 -0.00246 0.01021 -0.01302 99 6PY -0.00295 0.00222 -0.00329 0.00602 -0.01842 100 6PZ 0.00142 0.00003 0.00276 0.00058 0.01158 101 7D 0 0.00023 -0.00044 0.00016 0.00092 -0.00031 102 7D+1 0.00116 -0.00057 -0.00047 0.00145 0.00063 103 7D-1 -0.00001 0.00042 -0.00025 -0.00044 0.00058 104 7D+2 0.00068 -0.00006 -0.00044 0.00037 0.00066 105 7D-2 0.00012 0.00030 -0.00012 -0.00075 0.00020 106 8D 0 -0.00004 0.00023 0.00006 0.00005 -0.00170 107 8D+1 -0.00034 0.00033 0.00026 -0.00007 0.00060 108 8D-1 0.00049 -0.00035 0.00001 -0.00168 0.00139 109 8D+2 -0.00033 0.00004 0.00010 -0.00033 0.00185 110 8D-2 -0.00121 -0.00001 -0.00009 0.00063 0.00172 111 6 Cu 1S 0.00096 0.00000 0.00028 0.00036 0.00001 112 2S -0.00018 0.00002 0.00014 0.00019 0.00001 113 3S 0.01951 -0.00007 0.00371 0.00457 0.00011 114 4PX -0.00118 0.00082 -0.00213 0.00230 0.00173 115 4PY 0.00046 0.00054 -0.00214 0.00020 0.00102 116 4PZ 0.00811 -0.00011 0.00295 0.00396 0.00013 117 5PX 0.00119 0.00009 -0.00065 0.00074 0.00007 118 5PY -0.00271 0.00015 -0.00075 0.00002 0.00004 119 5PZ 0.00363 -0.00011 0.00095 0.00131 0.00004 120 6PX -0.00019 0.00651 -0.00025 0.00279 0.00377 121 6PY 0.00167 0.00284 -0.00429 -0.00265 0.00234 122 6PZ 0.00163 0.00135 0.00484 0.00521 0.00007 123 7D 0 0.00020 -0.00001 0.00016 0.00024 0.00001 124 7D+1 -0.00003 -0.00003 -0.00019 0.00012 0.00011 125 7D-1 -0.00005 0.00002 -0.00008 0.00009 0.00007 126 7D+2 -0.00002 -0.00014 0.00006 0.00002 -0.00008 127 7D-2 0.00001 0.00012 0.00006 0.00005 0.00004 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-0.00084 31 32 33 34 35 O O O O O EIGENVALUES -- -1.17814 -0.57903 -0.47889 -0.47530 -0.45699 1 1 Cu 1S 0.00165 0.00007 -0.00127 0.00025 -0.00080 2 2S 0.00201 0.00516 0.01207 -0.00148 0.02077 3 3S 0.01551 0.03496 -0.00467 -0.01368 0.01146 4 4PX 0.00014 -0.00088 -0.00200 0.00026 -0.00258 5 4PY 0.00005 -0.00022 -0.00101 -0.00034 -0.00322 6 4PZ -0.00016 0.00130 0.00270 -0.00043 0.00434 7 5PX 0.00117 0.00411 0.00130 -0.00293 0.00869 8 5PY 0.00280 0.00166 -0.00054 -0.00390 0.00129 9 5PZ -0.00462 -0.00876 -0.00250 0.00353 -0.00716 10 6PX 0.00207 0.02409 -0.01269 0.00006 -0.01074 11 6PY 0.00696 -0.01959 0.01746 -0.01601 0.00977 12 6PZ -0.00140 -0.02060 0.00983 -0.00839 0.00865 13 7D 0 -0.00004 0.00120 0.00199 -0.00003 0.00440 14 7D+1 -0.00005 -0.00227 -0.00493 0.00037 -0.00752 15 7D-1 0.00005 -0.00064 -0.00220 -0.00217 -0.00953 16 7D+2 0.00000 0.00044 0.00049 0.00011 -0.00153 17 7D-2 -0.00002 0.00028 0.00048 0.00084 0.00578 18 8D 0 0.00041 0.00047 0.00041 0.00015 0.00089 19 8D+1 0.00006 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-0.00035 0.00125 0.00082 0.00230 40 8D 0 -0.00044 -0.00060 -0.00107 -0.00021 -0.00201 41 8D+1 -0.00080 -0.00058 0.00095 0.00058 0.00294 42 8D-1 0.00035 0.00045 -0.00003 -0.00028 -0.00030 43 8D+2 0.00056 0.00067 0.00196 0.00087 0.00407 44 8D-2 -0.00056 -0.00003 0.00133 0.00018 0.00192 45 3 Cu 1S 0.00281 0.00150 -0.00122 0.00000 -0.00195 46 2S 0.00409 0.00576 0.01161 -0.00010 0.02110 47 3S 0.04043 0.02429 0.04558 -0.00548 0.01658 48 4PX 0.00005 -0.00050 -0.00133 0.00007 -0.00212 49 4PY -0.00011 0.00112 0.00315 -0.00003 0.00490 50 4PZ 0.00008 -0.00069 -0.00268 0.00007 -0.00401 51 5PX 0.00677 0.00549 0.00439 0.00100 0.00463 52 5PY -0.01342 -0.01132 -0.00905 0.00166 -0.00930 53 5PZ 0.00252 0.00013 0.00736 -0.00075 0.00458 54 6PX 0.00297 -0.00951 0.01669 -0.00839 0.00186 55 6PY -0.00523 0.01574 -0.02803 -0.00010 -0.00458 56 6PZ -0.00026 0.02208 -0.02373 0.00170 -0.00052 57 7D 0 0.00012 -0.00048 -0.00057 -0.00013 0.00108 58 7D+1 0.00004 0.00099 0.00370 -0.00086 0.00539 59 7D-1 -0.00010 -0.00221 -0.00843 -0.00011 -0.01267 60 7D+2 0.00007 -0.00146 -0.00439 -0.00036 -0.00606 61 7D-2 0.00011 -0.00167 -0.00446 0.00052 -0.00628 62 8D 0 -0.00098 -0.00036 0.00078 -0.00005 0.00180 63 8D+1 -0.00015 -0.00018 0.00143 -0.00037 0.00198 64 8D-1 0.00029 0.00011 -0.00325 0.00002 -0.00466 65 8D+2 -0.00083 -0.00069 -0.00083 -0.00032 -0.00097 66 8D-2 -0.00125 -0.00096 -0.00045 0.00029 -0.00051 67 4 Cu 1S 0.00245 0.00091 -0.00112 -0.00015 -0.00158 68 2S 0.00317 0.00547 0.01057 0.00018 0.02150 69 3S 0.01735 0.03287 -0.00039 -0.02724 0.03236 70 4PX -0.00008 0.00074 0.00206 -0.00051 0.00401 71 4PY -0.00033 0.00118 0.00277 -0.00005 0.00525 72 4PZ -0.00001 0.00023 0.00016 0.00011 0.00020 73 5PX -0.00222 -0.00556 0.00178 0.00221 -0.00568 74 5PY -0.00646 -0.00933 -0.00236 0.00502 -0.01578 75 5PZ -0.00332 -0.00507 -0.00013 -0.00111 0.00008 76 6PX -0.00078 0.00308 -0.00065 -0.01788 -0.00777 77 6PY -0.00304 -0.01359 0.00353 0.02340 0.00298 78 6PZ 0.00127 0.00719 -0.00810 0.02046 -0.00094 79 7D 0 -0.00001 -0.00148 -0.00437 0.00064 -0.00765 80 7D+1 -0.00002 0.00028 0.00118 -0.00060 0.00043 81 7D-1 -0.00010 0.00072 0.00098 0.00035 0.00091 82 7D+2 0.00005 -0.00124 -0.00155 -0.00017 -0.00238 83 7D-2 0.00003 0.00196 0.00651 -0.00257 0.01305 84 8D 0 -0.00021 -0.00047 -0.00114 0.00027 -0.00265 85 8D+1 0.00018 0.00014 0.00016 -0.00007 -0.00014 86 8D-1 0.00091 0.00089 -0.00010 0.00034 -0.00126 87 8D+2 -0.00048 -0.00014 0.00048 0.00008 0.00011 88 8D-2 0.00020 0.00053 0.00213 -0.00097 0.00495 89 5 Cu 1S 0.00154 -0.00003 -0.00130 -0.00020 -0.00070 90 2S 0.00190 0.00513 0.01250 0.00130 0.02046 91 3S 0.01742 0.03397 0.00057 0.01399 0.00495 92 4PX -0.00007 0.00039 0.00136 -0.00022 0.00323 93 4PY -0.00005 0.00052 0.00089 0.00024 -0.00020 94 4PZ -0.00015 0.00148 0.00323 0.00043 0.00487 95 5PX -0.00275 -0.00182 -0.00090 -0.00410 -0.00311 96 5PY 0.00110 -0.00203 -0.00106 -0.00035 -0.00494 97 5PZ -0.00513 -0.00896 -0.00410 -0.00393 -0.00738 98 6PX -0.00717 0.00904 -0.01135 -0.01207 -0.00392 99 6PY 0.00327 -0.02897 0.01946 0.00477 0.01327 100 6PZ -0.00293 -0.02490 0.01056 0.00494 0.01169 101 7D 0 -0.00002 0.00197 0.00378 0.00005 0.00787 102 7D+1 -0.00002 0.00124 0.00324 -0.00152 0.01095 103 7D-1 0.00008 0.00137 0.00281 0.00117 -0.00071 104 7D+2 -0.00002 -0.00008 -0.00031 0.00002 0.00381 105 7D-2 -0.00003 0.00008 -0.00042 -0.00050 -0.00036 106 8D 0 0.00039 0.00061 0.00092 -0.00012 0.00237 107 8D+1 0.00047 0.00045 0.00113 -0.00022 0.00471 108 8D-1 -0.00056 0.00017 0.00035 0.00052 -0.00073 109 8D+2 0.00018 0.00003 -0.00003 0.00014 0.00193 110 8D-2 0.00015 -0.00040 -0.00028 0.00027 -0.00020 111 6 Cu 1S 0.00119 -0.01116 -0.01020 0.00000 -0.00525 112 2S 0.01171 0.07787 0.09717 0.00004 0.15879 113 3S -0.12155 -0.19930 -0.05850 0.00001 -0.10587 114 4PX -0.00100 -0.01680 -0.01829 -0.00787 -0.02002 115 4PY 0.00166 0.02697 0.02967 -0.00476 0.03171 116 4PZ -0.00009 0.01409 0.00899 -0.00024 0.02490 117 5PX 0.01928 0.02504 0.01614 0.00832 0.03091 118 5PY -0.03150 -0.04094 -0.02618 0.00504 -0.04862 119 5PZ -0.00688 -0.01160 -0.00787 0.00026 -0.04287 120 6PX 0.01768 -0.02988 0.03858 0.08119 0.04046 121 6PY -0.02913 0.05194 -0.06657 0.04918 -0.06504 122 6PZ -0.00021 -0.06373 0.05982 0.00253 -0.02404 123 7D 0 -0.00081 -0.02039 -0.06465 -0.00136 -0.01320 124 7D+1 0.00044 -0.02746 -0.03328 -0.02392 -0.09725 125 7D-1 -0.00067 0.04406 0.05439 -0.01649 0.15446 126 7D+2 -0.00022 -0.02567 -0.05419 0.05703 -0.05741 127 7D-2 -0.00037 -0.05233 -0.10780 -0.02886 -0.12094 128 8D 0 -0.00296 -0.00980 -0.01734 -0.00037 -0.00702 129 8D+1 -0.00853 -0.01180 -0.00707 -0.00610 -0.03020 130 8D-1 0.01358 0.01897 0.01156 -0.00421 0.04810 131 8D+2 -0.00617 -0.01153 -0.01378 0.01533 -0.01913 132 8D-2 -0.01280 -0.02349 -0.02725 -0.00775 -0.04010 133 7 Cu 1S 0.00076 0.00076 -0.00049 0.00000 -0.00155 134 2S 0.00044 0.00451 0.01282 0.00000 0.02489 135 3S -0.00368 -0.00784 0.01735 -0.00008 0.03438 136 4PX 0.00014 -0.00042 -0.00159 0.00005 -0.00312 137 4PY -0.00023 0.00065 0.00251 0.00003 0.00494 138 4PZ -0.00014 0.00077 0.00233 0.00000 0.00432 139 5PX 0.00090 0.00188 0.00606 0.00094 0.01227 140 5PY -0.00137 -0.00289 -0.00971 0.00059 -0.01956 141 5PZ -0.00292 -0.00681 -0.00504 0.00005 -0.01287 142 6PX -0.00164 0.00657 -0.01322 -0.03773 0.00180 143 6PY 0.00290 -0.01296 0.02341 -0.02280 -0.00211 144 6PZ -0.00604 0.04639 -0.03208 -0.00114 -0.01939 145 7D 0 -0.00001 0.00020 0.00129 0.00003 0.00098 146 7D+1 -0.00007 -0.00123 -0.00375 0.00053 -0.00763 147 7D-1 0.00011 0.00194 0.00591 0.00034 0.01211 148 7D+2 -0.00005 -0.00062 -0.00173 -0.00055 -0.00395 149 7D-2 -0.00010 -0.00131 -0.00367 0.00027 -0.00829 150 8D 0 0.00015 0.00058 0.00055 0.00001 0.00029 151 8D+1 0.00019 -0.00047 -0.00183 0.00013 -0.00321 152 8D-1 -0.00029 0.00074 0.00289 0.00010 0.00506 153 8D+2 0.00022 -0.00013 -0.00066 -0.00064 -0.00179 154 8D-2 0.00044 -0.00029 -0.00145 0.00033 -0.00373 155 8 C 1S -0.11656 -0.16070 -0.03479 -0.00001 -0.08349 156 2S 0.24060 0.38360 0.05772 0.00003 0.15910 157 3S 0.06215 0.27450 0.12753 0.00002 0.24716 158 4PX 0.12729 0.01871 -0.11222 0.34280 -0.22686 159 4PY -0.20829 -0.03264 0.16451 0.20808 0.37983 160 4PZ -0.02919 0.03510 0.39216 0.01084 -0.11547 161 5PX -0.02603 -0.03781 -0.00121 0.05247 -0.00891 162 5PY 0.04279 0.06160 -0.00103 0.03185 0.01607 163 5PZ 0.00213 0.01604 0.05726 0.00164 -0.02734 164 9 O 1S -0.21143 0.12630 -0.02020 -0.00001 -0.02043 165 2S 0.46545 -0.28542 0.03822 0.00001 0.03016 166 3S 0.31212 -0.37902 0.09639 0.00006 0.12583 167 4PX -0.11871 -0.22787 0.13582 0.53443 0.15983 168 4PY 0.19416 0.37148 -0.24983 0.32409 -0.24438 169 4PZ 0.02945 0.08008 0.49578 0.01684 -0.37172 170 5PX 0.00873 -0.05721 0.03154 0.20536 0.02709 171 5PY -0.01434 0.09319 -0.06200 0.12457 -0.03734 172 5PZ -0.00093 0.02108 0.19140 0.00647 -0.14249 36 37 38 39 40 O O O O O EIGENVALUES -- -0.35569 -0.33746 -0.33675 -0.32580 -0.32570 1 1 Cu 1S -0.01278 -0.00136 -0.00018 -0.00263 0.00113 2 2S 0.17246 0.06998 0.06051 -0.04899 0.03587 3 3S -0.00096 0.10198 0.11539 -0.18107 0.10870 4 4PX -0.01350 0.00074 -0.01109 -0.00028 -0.01277 5 4PY -0.02696 -0.00969 -0.00894 0.00152 -0.00291 6 4PZ 0.02166 0.01451 0.00559 -0.01173 -0.00073 7 5PX 0.00961 0.03169 0.01557 -0.02648 0.02829 8 5PY 0.02564 0.04651 0.04753 -0.02148 0.01813 9 5PZ -0.02002 -0.03222 -0.04804 0.04828 -0.02295 10 6PX -0.00813 0.02167 -0.03512 -0.01722 -0.01554 11 6PY -0.02941 -0.01077 -0.01497 -0.01744 0.00259 12 6PZ 0.01124 0.03803 -0.00218 0.00359 -0.01723 13 7D 0 -0.00113 0.09052 -0.02431 -0.13002 -0.11705 14 7D+1 -0.03633 -0.00275 -0.07064 0.03142 -0.11103 15 7D-1 -0.12958 -0.10958 -0.04282 0.02676 0.01607 16 7D+2 -0.03949 -0.03443 0.02593 0.01926 0.08675 17 7D-2 0.08519 -0.00831 0.09647 0.03635 0.06911 18 8D 0 -0.00052 0.03025 -0.00799 -0.04602 -0.04317 19 8D+1 -0.01207 -0.00128 -0.02392 0.01071 -0.03999 20 8D-1 -0.04617 -0.04080 -0.01929 0.00899 0.00428 21 8D+2 -0.01383 -0.01278 0.00708 0.00785 0.03124 22 8D-2 0.03023 0.00025 0.03504 0.01196 0.02355 23 2 Cu 1S -0.01253 -0.00125 0.00205 0.00169 -0.00271 24 2S 0.16399 0.10355 -0.06357 0.00770 -0.04412 25 3S -0.02956 0.15288 -0.06167 0.06552 -0.17070 26 4PX -0.03108 -0.02101 0.01314 -0.00249 0.00828 27 4PY -0.00888 -0.00078 0.00997 -0.00545 -0.00461 28 4PZ -0.01271 -0.00838 -0.00439 0.00923 0.00201 29 5PX 0.01653 0.08455 -0.03598 0.01700 -0.05317 30 5PY 0.01102 0.02493 -0.00299 0.00305 0.00934 31 5PZ 0.00844 0.02223 -0.02237 -0.01209 -0.00874 32 6PX -0.02469 -0.03046 0.01939 0.01030 -0.01835 33 6PY -0.00665 0.01442 0.03298 -0.00516 -0.01209 34 6PZ -0.01237 -0.01553 -0.03072 0.02601 -0.00644 35 7D 0 -0.03789 -0.04280 0.07228 -0.02287 0.04509 36 7D+1 0.09476 0.08082 0.06957 -0.16073 -0.02650 37 7D-1 -0.00166 -0.02081 0.00364 0.02089 -0.00223 38 7D+2 0.08945 0.12410 -0.05399 0.04042 -0.04622 39 7D-2 0.06917 -0.00802 -0.11871 0.09217 0.09482 40 8D 0 -0.01320 -0.01593 0.02424 -0.00607 0.01630 41 8D+1 0.03339 0.03087 0.02182 -0.05819 -0.01065 42 8D-1 -0.00110 -0.00743 0.00145 0.00790 -0.00107 43 8D+2 0.03103 0.04510 -0.01992 0.01474 -0.01535 44 8D-2 0.02473 0.00123 -0.04162 0.03328 0.03393 45 3 Cu 1S -0.01243 0.00013 0.00265 0.00049 0.00328 46 2S 0.15836 -0.01346 -0.13507 0.00306 0.03393 47 3S -0.04649 -0.01986 -0.16657 0.02068 0.16638 48 4PX -0.00658 0.01142 0.00622 0.00870 -0.00475 49 4PY 0.01830 0.00369 -0.01934 0.00560 0.00624 50 4PZ -0.02700 0.00322 0.01950 0.00137 -0.00013 51 5PX -0.00079 0.00781 -0.02397 -0.01192 0.02188 52 5PY -0.00236 0.01277 0.06020 -0.01249 -0.03963 53 5PZ 0.01485 -0.00721 -0.07684 -0.00057 0.01718 54 6PX -0.00790 0.04666 0.00748 0.01463 0.00026 55 6PY 0.01853 0.02061 -0.03050 0.00605 -0.01093 56 6PZ -0.01879 0.00695 0.01822 0.00666 0.03046 57 7D 0 0.06566 -0.01947 -0.00045 -0.02262 -0.05627 58 7D+1 0.04856 -0.10774 -0.05581 -0.07488 0.01002 59 7D-1 -0.11883 -0.02416 0.14971 -0.01651 0.00230 60 7D+2 -0.01762 -0.08337 0.06425 -0.14392 -0.02969 61 7D-2 -0.00350 0.08065 0.03781 0.09371 -0.08352 62 8D 0 0.02288 -0.00680 -0.00337 -0.00779 -0.01926 63 8D+1 0.01708 -0.03601 -0.02110 -0.02600 0.00298 64 8D-1 -0.04159 -0.00714 0.05580 -0.00499 0.00164 65 8D+2 -0.00580 -0.02864 0.02207 -0.05318 -0.00969 66 8D-2 -0.00069 0.02745 0.01202 0.03472 -0.02932 67 4 Cu 1S -0.01254 0.00149 0.00176 -0.00236 -0.00208 68 2S 0.16534 -0.10977 -0.03912 -0.02119 -0.04325 69 3S -0.02417 -0.16022 -0.02609 -0.11305 -0.15096 70 4PX 0.02682 -0.01600 -0.01109 -0.00464 -0.00035 71 4PY 0.02189 -0.01734 -0.00075 -0.00087 -0.01016 72 4PZ -0.00588 0.00241 -0.00820 -0.00952 0.00383 73 5PX -0.02113 0.07413 0.00989 0.01641 0.02173 74 5PY -0.00985 0.06124 0.01671 0.02561 0.04641 75 5PZ 0.00394 -0.00695 -0.01422 0.01401 -0.00398 76 6PX 0.02220 -0.01502 -0.02897 0.01061 0.01744 77 6PY 0.01659 -0.03169 0.01256 0.01616 0.00442 78 6PZ -0.00817 0.00256 -0.03806 -0.02402 0.00629 79 7D 0 -0.06151 0.06429 0.02716 -0.01109 0.05954 80 7D+1 -0.01812 -0.00876 -0.08353 -0.08374 0.04470 81 7D-1 -0.05220 0.02475 -0.07696 -0.14195 0.04365 82 7D+2 0.03115 0.03230 -0.09359 -0.04149 0.11757 83 7D-2 0.12638 -0.13606 -0.04501 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0.02366 0.13249 104 7D+2 0.06401 0.03069 0.06256 -0.01658 0.03797 105 7D-2 -0.00984 0.03747 0.03667 -0.00761 0.08431 106 8D 0 0.01189 -0.03222 0.01099 0.03717 -0.04028 107 8D+1 0.04845 -0.01422 0.04087 0.00700 0.03432 108 8D-1 -0.02046 0.02989 0.00287 0.00807 0.04712 109 8D+2 0.02266 0.00844 0.02346 -0.00502 0.01167 110 8D-2 -0.00315 0.01244 0.01193 -0.00325 0.02996 111 6 Cu 1S -0.00741 -0.00002 -0.00013 0.00011 0.00031 112 2S 0.17392 -0.00003 -0.01497 0.00045 0.00183 113 3S 0.14410 -0.00014 -0.01253 -0.00007 -0.00048 114 4PX 0.03080 0.01532 -0.01095 -0.00246 -0.00003 115 4PY -0.04878 0.00949 0.01804 -0.00082 0.00188 116 4PZ -0.03977 0.00029 -0.00855 -0.00075 -0.00191 117 5PX -0.07662 0.02241 0.00840 -0.00172 0.00029 118 5PY 0.12208 0.01369 -0.01281 -0.00048 0.00159 119 5PZ 0.08736 0.00041 -0.03514 -0.00090 -0.00199 120 6PX -0.00928 0.00588 -0.00697 -0.01639 0.00082 121 6PY 0.01604 0.00380 0.01187 -0.00613 0.01180 122 6PZ -0.01976 -0.00002 -0.00914 -0.00515 -0.01392 123 7D 0 0.07225 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-0.05281 0.08021 0.00265 -0.03864 0.02808 69 3S -0.06636 0.13408 -0.01845 -0.10192 0.08847 70 4PX 0.00383 0.01365 0.00448 -0.00415 0.00982 71 4PY -0.01068 0.00361 -0.00292 -0.00222 -0.00404 72 4PZ -0.00530 -0.00748 0.00886 0.00890 0.00492 73 5PX 0.00566 -0.05330 0.00608 0.03046 -0.03587 74 5PY 0.01575 -0.03866 -0.00523 0.01074 0.00033 75 5PZ 0.00523 0.00934 0.00131 -0.02834 0.00477 76 6PX 0.02624 0.01525 0.02201 0.00731 0.01032 77 6PY -0.00415 0.02394 -0.00480 -0.00161 -0.01683 78 6PZ -0.00743 -0.00355 0.03295 0.00721 0.01557 79 7D 0 -0.02948 0.03012 -0.16292 -0.11924 -0.17105 80 7D+1 -0.07842 -0.12158 0.14700 0.16011 0.12926 81 7D-1 -0.06026 -0.14597 0.07983 0.13083 0.07337 82 7D+2 0.16624 0.22565 0.12987 0.00139 0.23369 83 7D-2 0.05385 0.04685 -0.06270 -0.03600 -0.08048 84 8D 0 -0.01153 0.00770 -0.05609 -0.04238 -0.06199 85 8D+1 -0.02655 -0.04130 0.04908 0.05634 0.04396 86 8D-1 -0.02121 -0.04908 0.02554 0.04382 0.02500 87 8D+2 0.05643 0.07633 0.04294 0.00108 0.07987 88 8D-2 0.02139 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8D-1 -0.03197 -0.05144 0.06247 0.04135 0.03782 109 8D+2 0.01946 -0.02942 -0.02092 0.13314 0.01516 110 8D-2 -0.03291 -0.03366 0.04195 0.02202 0.03406 111 6 Cu 1S 0.00307 0.00002 -0.00057 0.00023 -0.00001 112 2S -0.18610 -0.00032 0.01941 -0.00327 -0.00048 113 3S -0.04776 0.00125 0.03163 0.01226 -0.00482 114 4PX 0.00542 -0.00159 -0.00057 0.00060 -0.00042 115 4PY -0.00884 -0.00102 0.00082 -0.00102 -0.00001 116 4PZ -0.00150 -0.00005 0.00195 -0.00080 0.00002 117 5PX 0.01029 -0.05691 0.01784 -0.00864 -0.00098 118 5PY -0.01577 -0.03416 -0.03133 0.01617 -0.00272 119 5PZ -0.01346 -0.00123 0.05677 -0.00929 -0.00142 120 6PX -0.02099 0.00588 -0.00144 0.00077 -0.01041 121 6PY 0.03345 0.00348 0.00066 -0.00867 -0.00399 122 6PZ 0.02231 0.00051 -0.00529 0.01300 -0.00328 123 7D 0 -0.00252 -0.01027 0.22856 -0.17740 0.03848 124 7D+1 -0.26388 -0.16979 -0.04543 0.01755 0.13851 125 7D-1 0.41642 -0.10691 0.08964 0.07229 0.05447 126 7D+2 -0.16027 0.21689 0.08424 0.04770 0.07067 127 7D-2 -0.33375 -0.10507 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7D 0 0.11881 -0.08271 -0.13627 0.01651 0.18568 14 7D+1 -0.25956 -0.15531 -0.23932 0.21782 0.16731 15 7D-1 -0.09339 0.07842 0.01962 0.05230 -0.08140 16 7D+2 -0.03326 -0.24000 -0.12587 0.24326 0.06213 17 7D-2 0.03365 -0.08571 0.06965 0.10379 0.03916 18 8D 0 0.03926 -0.02714 -0.04414 0.00762 0.06309 19 8D+1 -0.08796 -0.05350 -0.07911 0.07323 0.05444 20 8D-1 -0.03206 0.02669 0.00523 0.01765 -0.02656 21 8D+2 -0.01264 -0.08078 -0.04277 0.08027 0.02017 22 8D-2 0.01126 -0.02909 0.02213 0.03404 0.01472 23 2 Cu 1S -0.00182 -0.00133 0.00105 0.00031 0.00002 24 2S -0.09000 -0.00325 -0.06420 -0.03184 0.02624 25 3S -0.13270 -0.04202 -0.01421 -0.03341 0.07423 26 4PX 0.00164 0.00178 0.00684 0.00410 -0.00127 27 4PY 0.00815 -0.00475 -0.00418 0.01045 -0.00007 28 4PZ 0.00689 -0.00445 0.00484 -0.00974 -0.00350 29 5PX -0.03939 0.00113 -0.01715 -0.01358 0.01129 30 5PY -0.01199 -0.00278 0.01158 -0.03628 0.00765 31 5PZ -0.01465 -0.00036 -0.01662 0.02746 0.01560 32 6PX -0.03381 -0.00853 0.00720 0.00030 0.01350 33 6PY 0.00578 -0.01043 0.00574 0.02278 0.01347 34 6PZ -0.00702 -0.00841 0.02115 -0.02001 -0.00210 35 7D 0 -0.13964 -0.01076 -0.12115 -0.01620 -0.05628 36 7D+1 0.00598 0.03719 0.04422 0.24810 0.21845 37 7D-1 0.10654 0.33720 0.41352 0.09684 -0.02446 38 7D+2 0.25400 -0.04769 0.07938 0.01886 -0.15879 39 7D-2 -0.07811 -0.00019 0.03823 -0.18268 -0.22331 40 8D 0 -0.04677 -0.00437 -0.04005 -0.00758 -0.02140 41 8D+1 0.00307 0.01171 0.01616 0.08145 0.07376 42 8D-1 0.03711 0.11413 0.13744 0.03223 -0.00875 43 8D+2 0.08541 -0.01504 0.02582 0.00568 -0.05584 44 8D-2 -0.02546 -0.00108 0.01255 -0.05905 -0.07500 45 3 Cu 1S -0.00234 -0.00116 -0.00012 0.00112 -0.00004 46 2S -0.09390 -0.00434 0.00616 -0.06684 0.00543 47 3S -0.14946 -0.03858 -0.00244 -0.00390 0.00832 48 4PX -0.00299 0.00275 -0.01428 0.00145 0.00049 49 4PY 0.00288 -0.00417 -0.00671 -0.00698 0.00057 50 4PZ 0.01110 -0.00501 -0.00193 0.00347 -0.00040 51 5PX -0.00929 0.00208 0.04455 -0.00241 -0.00412 52 5PY 0.02724 -0.00307 0.02159 0.01711 -0.00336 53 5PZ -0.04069 -0.00092 0.00536 -0.00854 0.00204 54 6PX -0.01088 0.00028 -0.02885 -0.00532 -0.00296 55 6PY 0.02331 0.00326 -0.01497 -0.00269 -0.00248 56 6PZ -0.02095 -0.01491 -0.00644 0.02341 0.00009 57 7D 0 -0.03193 0.25694 -0.00661 0.32006 -0.00937 58 7D+1 0.04557 -0.13033 0.16278 -0.09416 0.03148 59 7D-1 -0.13326 0.10581 0.04298 0.01103 -0.02300 60 7D+2 -0.17910 -0.07908 0.23155 -0.14752 0.32420 61 7D-2 -0.23783 -0.14782 -0.13292 -0.30742 -0.20248 62 8D 0 -0.00901 0.08564 -0.00284 0.10712 -0.00363 63 8D+1 0.01518 -0.04398 0.05143 -0.03169 0.00830 64 8D-1 -0.04508 0.03569 0.01293 0.00334 -0.00919 65 8D+2 -0.06011 -0.02774 0.07635 -0.04843 0.11140 66 8D-2 -0.07977 -0.05140 -0.04352 -0.10146 -0.06938 67 4 Cu 1S -0.00169 -0.00140 -0.00105 0.00009 -0.00011 68 2S -0.08930 -0.00285 0.07039 -0.02039 -0.02520 69 3S -0.12925 -0.04470 0.02687 -0.03621 -0.08290 70 4PX -0.00865 0.00365 0.00307 -0.00865 -0.00060 71 4PY 0.00253 -0.00357 0.00753 0.00502 -0.00171 72 4PZ 0.00563 -0.00418 -0.00166 -0.01155 0.00473 73 5PX 0.03290 0.00240 -0.01042 0.03198 0.01399 74 5PY 0.02603 -0.00180 -0.01943 -0.01594 0.00821 75 5PZ -0.00586 0.00001 0.00832 0.03390 -0.01801 76 6PX 0.01410 0.01507 0.01381 -0.01055 0.02197 77 6PY 0.03280 0.00142 0.00088 0.01551 0.00346 78 6PZ -0.00012 -0.00598 -0.01364 -0.02452 0.00760 79 7D 0 -0.14814 -0.07821 0.21591 -0.05816 0.12300 80 7D+1 -0.05151 -0.27493 0.33522 -0.15333 0.14999 81 7D-1 0.13162 0.15241 -0.19687 -0.15506 0.18937 82 7D+2 -0.13801 0.08211 -0.05332 -0.14852 0.14935 83 7D-2 0.19468 -0.04470 -0.07743 -0.00113 0.17488 84 8D 0 -0.05026 -0.02686 0.07254 -0.02066 0.04354 85 8D+1 -0.01876 -0.09259 0.11197 -0.04941 0.04916 86 8D-1 0.04416 0.05261 -0.06438 -0.05016 0.06418 87 8D+2 -0.04541 0.02652 -0.01807 -0.04778 0.04911 88 8D-2 0.06594 -0.01472 -0.02544 -0.00025 0.06098 89 5 Cu 1S -0.00150 -0.00160 -0.00044 -0.00082 0.00057 90 2S -0.08952 -0.00141 0.04115 0.06461 0.00522 91 3S -0.12422 -0.05936 0.03880 0.04783 0.10865 92 4PX -0.00799 0.00351 -0.00531 0.00789 0.00326 93 4PY 0.00667 -0.00399 -0.00958 0.00501 -0.00021 94 4PZ 0.00093 -0.00256 0.00839 0.00298 -0.00310 95 5PX 0.02798 0.00289 0.01352 -0.02940 -0.02461 96 5PY -0.00836 -0.00182 0.03426 -0.01195 0.00886 97 5PZ 0.02557 0.00410 -0.02575 -0.00677 0.00189 98 6PX 0.01089 0.01474 -0.01246 0.01518 -0.01981 99 6PY 0.01322 -0.01122 -0.02167 0.00144 0.01371 100 6PZ 0.03725 0.00355 0.00692 -0.00719 -0.02173 101 7D 0 0.20726 -0.04652 0.05381 -0.05321 -0.10022 102 7D+1 0.17085 0.01744 -0.12065 -0.15084 0.06398 103 7D-1 0.12308 0.13130 -0.16669 -0.11574 0.18913 104 7D+2 0.02060 0.01987 -0.11135 -0.00091 0.00243 105 7D-2 -0.06344 -0.28243 0.09610 0.31296 -0.17483 106 8D 0 0.06938 -0.01475 0.01641 -0.01646 -0.03490 107 8D+1 0.05847 0.00598 -0.03988 -0.05156 0.02103 108 8D-1 0.04136 0.04521 -0.05379 -0.03918 0.06204 109 8D+2 0.00726 0.00653 -0.03640 -0.00040 -0.00053 110 8D-2 -0.02282 -0.09538 0.03312 0.10378 -0.05806 111 6 Cu 1S 0.00307 -0.00051 0.00000 0.00047 0.00001 112 2S 0.04907 0.01495 -0.00009 -0.00431 0.00021 113 3S 0.45420 -0.00447 -0.00042 -0.00188 0.00024 114 4PX 0.00701 -0.00663 -0.00753 -0.00194 0.00055 115 4PY -0.01116 0.01058 -0.00458 0.00363 0.00013 116 4PZ -0.00807 0.00598 -0.00025 -0.00747 0.00037 117 5PX -0.10358 0.06482 0.00135 -0.00093 0.00582 118 5PY 0.16517 -0.10325 0.00108 0.00120 0.00198 119 5PZ 0.11766 -0.06621 0.00003 0.00333 0.00118 120 6PX 0.00327 -0.00466 -0.01931 -0.00757 -0.00136 121 6PY -0.00646 0.00744 -0.01159 0.01295 -0.00132 122 6PZ 0.02468 0.00080 -0.00072 -0.01573 0.00021 123 7D 0 -0.00378 0.00480 -0.00180 -0.02810 0.05321 124 7D+1 -0.00532 0.07968 -0.00299 0.03295 0.20786 125 7D-1 0.00850 -0.12546 -0.00330 -0.04787 0.08614 126 7D+2 -0.01060 0.04947 0.08628 -0.03831 0.10600 127 7D-2 -0.01946 0.10270 -0.04333 -0.07546 -0.10961 128 8D 0 -0.00046 0.00108 -0.00059 -0.01048 0.01552 129 8D+1 -0.00277 0.02610 -0.00222 0.00997 0.06033 130 8D-1 0.00442 -0.04110 -0.00185 -0.01443 0.02503 131 8D+2 -0.00360 0.01590 0.02716 -0.01187 0.03068 132 8D-2 -0.00670 0.03305 -0.01364 -0.02329 -0.03169 133 7 Cu 1S 0.00425 0.00185 -0.00002 -0.00010 0.00001 134 2S -0.11024 0.12288 -0.00014 -0.00226 0.00023 135 3S 0.12984 0.30653 -0.00120 -0.00557 0.00123 136 4PX 0.00234 -0.00366 0.00255 0.00079 -0.00014 137 4PY -0.00355 0.00581 0.00153 -0.00145 0.00001 138 4PZ -0.00451 0.00655 0.00007 0.00238 -0.00010 139 5PX -0.00858 0.03489 -0.03592 -0.01172 0.00661 140 5PY 0.01319 -0.05521 -0.02150 0.02117 0.00172 141 5PZ 0.01369 -0.05391 -0.00100 -0.03298 0.00244 142 6PX 0.01228 0.01783 0.03981 0.01240 -0.00522 143 6PY -0.01824 -0.02800 0.02416 -0.02235 -0.00142 144 6PZ -0.03626 -0.01438 0.00147 0.03687 -0.00265 145 7D 0 -0.01455 0.00706 0.00524 0.17849 0.04420 146 7D+1 -0.13556 0.12968 0.12774 -0.00969 0.22287 147 7D-1 0.21861 -0.20420 0.08255 0.00858 0.07991 148 7D+2 -0.07131 0.07612 -0.07445 0.00588 0.15536 149 7D-2 -0.15025 0.16077 0.03740 0.00296 -0.15382 150 8D 0 -0.00474 0.00242 0.00172 0.05941 0.01462 151 8D+1 -0.04439 0.04263 0.04247 -0.00324 0.07379 152 8D-1 0.07159 -0.06715 0.02745 0.00283 0.02646 153 8D+2 -0.02320 0.02502 -0.02477 0.00191 0.05149 154 8D-2 -0.04891 0.05288 0.01246 0.00093 -0.05096 155 8 C 1S 0.00548 -0.00942 0.00002 0.00127 -0.00005 156 2S -0.01791 0.02862 -0.00007 -0.00282 0.00017 157 3S 0.02560 -0.02461 0.00014 -0.00194 -0.00043 158 4PX 0.01030 -0.01713 0.00833 0.00250 0.00159 159 4PY -0.01697 0.02820 0.00498 -0.00456 0.00115 160 4PZ -0.00167 0.00156 0.00025 0.00880 0.00029 161 5PX -0.02372 0.00841 0.00670 0.00288 -0.00090 162 5PY 0.03776 -0.01375 0.00399 -0.00481 -0.00022 163 5PZ 0.02138 -0.00026 0.00029 0.00453 -0.00036 164 9 O 1S -0.00122 0.00202 0.00000 -0.00007 0.00001 165 2S 0.00116 -0.00683 0.00002 0.00035 -0.00009 166 3S 0.01495 -0.00257 -0.00006 -0.00183 0.00023 167 4PX -0.00597 0.01305 -0.01657 -0.00111 -0.00384 168 4PY 0.01009 -0.02145 -0.01000 0.00273 -0.00243 169 4PZ -0.00104 -0.00346 -0.00052 -0.01961 -0.00077 170 5PX -0.00024 0.00046 -0.00953 -0.00027 -0.00152 171 5PY 0.00084 -0.00066 -0.00580 0.00088 -0.00079 172 5PZ -0.00540 -0.00367 -0.00032 -0.01035 -0.00022 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29031 -0.27837 -0.27789 -0.27783 -0.27754 1 1 Cu 1S -0.00034 -0.00122 -0.00054 0.00023 0.00086 2 2S 0.01155 -0.02114 0.00232 0.01271 0.00345 3 3S -0.03098 -0.11542 -0.01641 0.03992 0.05160 4 4PX -0.00515 -0.00017 0.00367 -0.00348 -0.00090 5 4PY -0.00018 0.00152 -0.00401 -0.00200 0.00217 6 4PZ -0.00106 -0.00175 -0.00253 -0.00243 0.00271 7 5PX 0.01326 -0.00703 -0.01428 0.02527 -0.00218 8 5PY -0.00531 -0.01181 0.00277 0.00820 0.00123 9 5PZ 0.00382 0.02171 -0.00102 0.01023 -0.01641 10 6PX -0.01589 -0.01551 -0.00072 0.01566 0.00203 11 6PY -0.01287 -0.00332 0.01490 0.00563 -0.00821 12 6PZ -0.00323 0.03019 -0.00691 -0.00512 -0.00928 13 7D 0 -0.30322 0.11373 -0.25448 0.10623 -0.17026 14 7D+1 -0.04470 -0.00653 0.11771 0.11037 -0.18675 15 7D-1 -0.03109 -0.13144 0.08166 0.11259 -0.25292 16 7D+2 0.31075 0.20184 0.06514 -0.15855 0.08483 17 7D-2 0.05766 0.00509 -0.25926 -0.04112 -0.17749 18 8D 0 -0.10279 0.03643 -0.08590 0.03384 -0.05646 19 8D+1 -0.01642 -0.00266 0.04107 0.03660 -0.06370 20 8D-1 -0.01242 -0.04397 0.02883 0.03724 -0.08485 21 8D+2 0.10512 0.06650 0.02178 -0.05144 0.02899 22 8D-2 0.01625 0.00141 -0.08682 -0.01464 -0.05822 23 2 Cu 1S 0.00038 0.00080 -0.00087 -0.00007 -0.00100 24 2S 0.01162 0.01593 -0.00499 -0.00288 -0.02266 25 3S 0.09670 0.07369 -0.04877 -0.03136 -0.10082 26 4PX 0.00073 -0.00240 0.00226 -0.00110 0.00242 27 4PY -0.00016 0.00079 -0.00032 0.00454 -0.00214 28 4PZ -0.00382 0.00082 -0.00472 0.00100 0.00213 29 5PX 0.00765 0.01660 -0.01296 -0.00972 -0.02116 30 5PY 0.00787 -0.00200 -0.01495 -0.01049 0.00893 31 5PZ 0.02278 0.00359 0.01884 0.01038 -0.01483 32 6PX 0.02189 0.01524 -0.00354 -0.02355 -0.02385 33 6PY 0.01128 -0.00920 0.00379 -0.00564 0.01176 34 6PZ 0.01026 -0.00543 0.01422 -0.00078 -0.00029 35 7D 0 0.07969 0.23762 0.34379 -0.06336 0.02447 36 7D+1 -0.12582 -0.03294 -0.21038 -0.07317 0.03370 37 7D-1 0.18781 0.13805 -0.00248 -0.09584 -0.16472 38 7D+2 0.03809 0.17699 0.00706 0.37013 0.07778 39 7D-2 0.07369 0.03746 0.10454 0.01210 -0.06080 40 8D 0 0.02895 0.07877 0.11445 -0.02277 0.00935 41 8D+1 -0.04316 -0.01210 -0.06983 -0.02356 0.01062 42 8D-1 0.06236 0.04555 -0.00085 -0.03115 -0.05377 43 8D+2 0.01264 0.06031 -0.00011 0.12431 0.02588 44 8D-2 0.02592 0.01306 0.03492 0.00394 -0.01916 45 3 Cu 1S -0.00013 0.00013 0.00092 0.00102 0.00071 46 2S -0.03731 0.00294 0.01574 0.01878 0.01521 47 3S -0.12700 0.01216 0.06908 0.07314 0.09341 48 4PX -0.00020 -0.00104 0.00176 -0.00489 0.00005 49 4PY 0.00037 -0.00005 0.00486 0.00240 -0.00039 50 4PZ 0.00438 -0.00014 0.00124 0.00095 -0.00278 51 5PX 0.00035 0.01203 -0.01762 0.02141 0.01040 52 5PY 0.00329 0.00396 -0.02284 -0.00185 -0.01745 53 5PZ -0.03326 0.00291 0.00578 0.01134 0.01210 54 6PX -0.00424 0.00268 -0.00102 0.01167 0.01506 55 6PY 0.01448 -0.00181 -0.01510 -0.00604 -0.02952 56 6PZ -0.02328 -0.00007 -0.00608 -0.00699 0.01328 57 7D 0 -0.03329 0.06901 0.03763 0.01896 0.22489 58 7D+1 0.06010 0.24486 -0.01272 0.02928 -0.16924 59 7D-1 -0.10964 0.17210 -0.10981 -0.10541 0.23046 60 7D+2 0.00440 -0.30235 0.08683 -0.21923 0.08339 61 7D-2 -0.00270 0.15017 -0.21995 -0.07732 0.07869 62 8D 0 -0.01115 0.02272 0.01201 0.00555 0.07368 63 8D+1 0.02035 0.08093 -0.00295 0.01001 -0.05622 64 8D-1 -0.03763 0.05694 -0.03714 -0.03694 0.07712 65 8D+2 0.00081 -0.10145 0.02683 -0.07276 0.02858 66 8D-2 -0.00215 0.05052 -0.07318 -0.02753 0.02695 67 4 Cu 1S 0.00042 -0.00098 0.00006 -0.00066 -0.00102 68 2S 0.00505 -0.01800 -0.00460 0.00044 -0.02028 69 3S 0.08574 -0.08973 -0.02672 -0.03209 -0.09474 70 4PX 0.00020 -0.00088 -0.00325 -0.00060 0.00052 71 4PY -0.00087 -0.00232 0.00347 -0.00011 -0.00363 72 4PZ -0.00317 -0.00143 0.00223 -0.00471 0.00119 73 5PX -0.01254 0.01145 0.00899 0.01533 0.00663 74 5PY -0.00194 0.01708 0.00167 -0.00376 0.02174 75 5PZ 0.01755 0.00239 0.00571 0.02562 -0.00975 76 6PX -0.02113 0.00167 0.01858 -0.00038 0.00072 77 6PY -0.01239 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117 5PX -0.00144 -0.02475 0.05776 -0.06958 0.00599 118 5PY 0.00636 -0.00931 0.06722 0.01521 -0.03546 119 5PZ -0.00426 -0.00625 -0.03143 -0.06057 0.03994 120 6PX -0.00078 0.01077 -0.02327 0.02753 -0.00194 121 6PY 0.00233 0.00412 -0.02668 -0.00536 0.01404 122 6PZ -0.00224 0.00241 0.01051 0.02056 -0.01424 123 7D 0 -0.15780 0.00363 0.08905 0.19826 -0.18377 124 7D+1 -0.00313 -0.02859 -0.18620 0.03968 0.06603 125 7D-1 0.13326 0.01076 -0.03080 0.16905 -0.01418 126 7D+2 0.10822 -0.08509 0.21833 -0.06079 -0.02600 127 7D-2 0.12491 0.07137 -0.03157 0.13863 -0.00026 128 8D 0 -0.04594 0.00182 0.02829 0.06165 -0.05483 129 8D+1 -0.00088 -0.00628 -0.05650 0.01156 0.02026 130 8D-1 0.03863 0.00425 -0.00982 0.05102 -0.00596 131 8D+2 0.03126 -0.02514 0.06824 -0.01954 -0.00988 132 8D-2 0.03609 0.02078 -0.01042 0.04388 -0.00227 133 7 Cu 1S -0.00004 -0.00004 -0.00024 -0.00047 0.00037 134 2S -0.00119 0.00039 0.00238 0.00432 -0.00288 135 3S -0.00482 -0.00206 -0.01114 -0.02197 0.01726 136 4PX 0.00005 -0.00203 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2S -0.00068 -0.00010 -0.00038 -0.00103 0.00094 157 3S 0.00264 0.00069 0.00303 0.00424 -0.00090 158 4PX 0.00062 -0.00902 0.02600 -0.01838 -0.00339 159 4PY -0.00007 -0.00499 0.01860 -0.00686 -0.00421 160 4PZ -0.00130 -0.00301 -0.01461 -0.02768 0.01801 161 5PX 0.00019 -0.00136 0.00354 -0.00466 0.00045 162 5PY -0.00161 -0.00041 0.00422 0.00100 -0.00291 163 5PZ 0.00208 -0.00007 -0.00070 -0.00192 0.00248 164 9 O 1S -0.00003 -0.00001 -0.00011 -0.00025 0.00028 165 2S 0.00041 0.00013 0.00078 0.00147 -0.00109 166 3S -0.00135 -0.00018 -0.00032 -0.00006 -0.00117 167 4PX -0.00094 0.01354 -0.04424 0.02725 0.00741 168 4PY -0.00030 0.00816 -0.02735 0.01605 0.00442 169 4PZ 0.00266 0.00482 0.02486 0.04736 -0.03221 170 5PX 0.00005 0.00642 -0.02270 0.01461 0.00373 171 5PY -0.00060 0.00382 -0.01441 0.00787 0.00282 172 5PZ 0.00068 0.00223 0.01235 0.02396 -0.01711 56 57 58 59 60 O O O O O EIGENVALUES -- -0.27191 -0.27183 -0.26805 -0.26748 -0.26719 1 1 Cu 1S 0.00186 -0.00232 0.00034 -0.00118 0.00076 2 2S -0.04552 0.05596 -0.00154 0.05255 0.00785 3 3S -0.01050 0.00857 0.04745 0.04049 0.13564 4 4PX 0.00490 -0.00235 -0.00279 -0.00260 -0.00160 5 4PY 0.00432 -0.00488 -0.00178 -0.00697 -0.00658 6 4PZ -0.00492 0.00705 0.00068 0.00261 0.00492 7 5PX 0.00087 0.01836 0.00530 0.00364 0.02083 8 5PY -0.00968 0.01183 0.01316 0.02464 0.04525 9 5PZ 0.02104 -0.00550 -0.01738 -0.00122 -0.03144 10 6PX 0.00368 0.00225 -0.00083 0.00155 0.01114 11 6PY -0.00432 0.00267 0.00722 0.01337 0.02510 12 6PZ 0.00117 0.00210 -0.00981 0.00072 -0.01542 13 7D 0 0.11872 0.12442 -0.03505 -0.02101 0.07716 14 7D+1 0.12088 -0.02315 -0.00187 -0.10273 0.02947 15 7D-1 -0.22012 0.20685 0.20407 0.13573 0.41940 16 7D+2 -0.02362 -0.10563 0.03781 0.15094 0.10597 17 7D-2 0.13735 -0.17122 -0.02381 -0.22719 -0.27917 18 8D 0 0.03858 0.04018 -0.01124 -0.00599 0.02499 19 8D+1 0.03878 -0.00710 -0.00066 -0.03301 0.00905 20 8D-1 -0.07163 0.06730 0.06565 0.04451 0.13514 21 8D+2 -0.00769 -0.03387 0.01189 0.05002 0.03418 22 8D-2 0.04463 -0.05572 -0.00785 -0.07379 -0.08985 23 2 Cu 1S -0.00178 -0.00258 -0.00050 -0.00114 -0.00071 24 2S 0.04833 0.07388 -0.01773 0.04900 0.00097 25 3S 0.01061 0.03143 -0.12245 -0.00109 -0.07587 26 4PX -0.00648 -0.01177 0.00642 -0.00108 0.00284 27 4PY -0.00321 -0.00164 0.00327 -0.00460 0.00327 28 4PZ -0.00065 -0.00389 0.00504 -0.00572 0.00089 29 5PX 0.01009 0.02995 -0.04257 -0.01632 -0.02387 30 5PY -0.00411 0.01513 -0.02315 0.02036 -0.01132 31 5PZ 0.01942 0.00518 -0.02578 0.02571 -0.01796 32 6PX -0.00030 0.00390 -0.02254 -0.00690 -0.01381 33 6PY -0.00143 0.00743 -0.01211 0.00092 -0.00382 34 6PZ 0.00677 0.00343 -0.01142 0.00653 -0.01153 35 7D 0 0.01732 0.02172 -0.08237 -0.25237 0.00119 36 7D+1 -0.26195 -0.17790 0.29531 -0.02821 0.21420 37 7D-1 0.12081 0.20171 -0.03788 -0.03999 -0.00513 38 7D+2 -0.03223 -0.19378 0.19951 -0.00036 0.12148 39 7D-2 -0.01317 -0.32794 0.32400 -0.15106 0.11896 40 8D 0 0.00554 0.00725 -0.02614 -0.08141 0.00047 41 8D+1 -0.08513 -0.05797 0.09542 -0.01000 0.06871 42 8D-1 0.03882 0.06513 -0.01233 -0.01295 -0.00176 43 8D+2 -0.01083 -0.06303 0.06391 0.00007 0.03869 44 8D-2 -0.00456 -0.10649 0.10454 -0.04942 0.03846 45 3 Cu 1S -0.00308 0.00040 0.00140 -0.00060 -0.00006 46 2S 0.09465 -0.01282 -0.01213 0.05051 -0.00130 47 3S 0.04419 -0.00736 0.12876 0.05553 -0.00857 48 4PX -0.00299 0.00241 -0.00109 0.00232 -0.00165 49 4PY 0.00911 -0.00032 0.00307 -0.00249 -0.00072 50 4PZ -0.01184 0.00191 -0.00480 -0.01044 0.00052 51 5PX 0.00714 0.01635 0.01108 -0.01689 -0.00250 52 5PY -0.01611 0.01205 -0.03059 0.02296 -0.00189 53 5PZ 0.03763 -0.00358 0.04315 0.04614 -0.00471 54 6PX -0.00127 0.00630 0.00480 -0.00226 -0.00437 55 6PY 0.00182 0.00318 -0.01542 0.00234 -0.00180 56 6PZ 0.01311 -0.00135 0.02673 0.01072 -0.00243 57 7D 0 -0.14929 0.01049 -0.21030 -0.25616 0.03927 58 7D+1 -0.23929 -0.03653 -0.15085 -0.02598 0.08136 59 7D-1 0.43468 -0.07854 0.38369 0.07752 0.02097 60 7D+2 -0.10415 -0.16504 0.03111 -0.08819 0.00568 61 7D-2 -0.19335 0.15936 -0.01739 -0.17717 -0.00311 62 8D 0 -0.04905 0.00342 -0.06746 -0.08301 0.01259 63 8D+1 -0.07766 -0.01205 -0.04843 -0.00847 0.02589 64 8D-1 0.14129 -0.02564 0.12306 0.02506 0.00664 65 8D+2 -0.03361 -0.05328 0.00980 -0.02907 0.00178 66 8D-2 -0.06260 0.05153 -0.00582 -0.05800 -0.00084 67 4 Cu 1S -0.00098 0.00297 -0.00034 -0.00105 0.00084 68 2S 0.02520 -0.08206 -0.02030 0.04780 -0.00352 69 3S 0.00046 -0.02956 -0.11610 0.00689 0.08772 70 4PX 0.00355 -0.00944 -0.00689 0.00555 0.00456 71 4PY 0.00080 -0.00960 -0.00423 -0.00053 0.00112 72 4PZ 0.00131 0.00096 0.00338 -0.00453 0.00019 73 5PX 0.00321 0.02772 0.04479 -0.01348 -0.02859 74 5PY -0.00701 0.01934 0.02403 0.01754 -0.01986 75 5PZ 0.01694 -0.00223 -0.01345 0.02535 0.01090 76 6PX 0.00294 0.00748 0.02330 0.00003 -0.01508 77 6PY -0.00151 -0.00026 0.01179 0.00389 -0.01215 78 6PZ 0.00555 -0.00320 -0.00509 0.00881 0.00812 79 7D 0 0.06315 -0.04382 -0.14137 -0.22282 0.09980 80 7D+1 0.06687 0.13370 -0.00867 0.09874 0.06722 81 7D-1 0.18696 -0.27262 -0.19587 0.05288 0.16854 82 7D+2 0.07181 0.16140 0.21478 -0.14519 -0.07048 83 7D-2 0.01230 0.33024 0.35198 -0.11235 -0.22220 84 8D 0 0.02044 -0.01453 -0.04530 -0.07157 0.03192 85 8D+1 0.02193 0.04303 -0.00299 0.03231 0.02143 86 8D-1 0.06052 -0.08833 -0.06357 0.01771 0.05422 87 8D+2 0.02311 0.05246 0.06947 -0.04761 -0.02292 88 8D-2 0.00363 0.10754 0.11330 -0.03654 -0.07113 89 5 Cu 1S 0.00247 0.00160 0.00033 -0.00126 -0.00064 90 2S -0.05913 -0.03807 -0.00393 0.05107 -0.01396 91 3S -0.01020 -0.00497 0.03418 0.02533 -0.14400 92 4PX -0.00610 -0.00213 0.00226 0.00566 -0.00629 93 4PY -0.00064 0.00164 0.00148 -0.00155 0.00293 94 4PZ -0.00801 -0.00555 0.00052 0.00334 -0.00636 95 5PX 0.00799 0.01648 -0.00615 -0.01504 0.04524 96 5PY -0.00534 0.01033 0.00423 0.00886 -0.01305 97 5PZ 0.02289 0.00354 -0.01486 -0.00169 0.04175 98 6PX 0.00202 0.00335 -0.00127 -0.00905 0.02504 99 6PY -0.00504 0.00172 0.00500 0.00623 -0.00773 100 6PZ 0.00014 -0.00160 -0.00827 0.00075 0.02068 101 7D 0 0.08703 -0.10889 -0.06802 -0.00661 0.02445 102 7D+1 0.15582 0.18838 -0.09944 -0.06583 0.44286 103 7D-1 -0.25798 -0.01717 0.10793 0.16290 -0.26370 104 7D+2 0.10628 0.03541 0.02171 -0.17527 0.22708 105 7D-2 0.10567 0.13826 0.02579 0.02484 0.00386 106 8D 0 0.02859 -0.03506 -0.02187 -0.00158 0.00756 107 8D+1 0.05104 0.06133 -0.03197 -0.02225 0.14265 108 8D-1 -0.08345 -0.00552 0.03466 0.05297 -0.08538 109 8D+2 0.03457 0.01169 0.00693 -0.05734 0.07322 110 8D-2 0.03411 0.04457 0.00796 0.00919 0.00119 111 6 Cu 1S 0.00031 -0.00001 -0.00022 0.00063 -0.00001 112 2S 0.00629 -0.00025 -0.00176 0.00567 -0.00010 113 3S 0.01785 -0.00110 -0.02114 0.09574 -0.00405 114 4PX 0.01055 0.02043 -0.00298 0.01372 0.00062 115 4PY -0.01593 0.01347 0.00580 -0.02141 0.00136 116 4PZ 0.01606 -0.00016 0.00211 -0.01515 0.00091 117 5PX -0.03397 -0.07613 0.00587 -0.03106 0.00012 118 5PY 0.05086 -0.04979 -0.01186 0.04855 -0.00289 119 5PZ -0.06404 0.00073 -0.00445 0.03048 -0.00165 120 6PX -0.01321 -0.02291 0.00168 -0.00701 0.00039 121 6PY 0.02024 -0.01519 -0.00347 0.01072 -0.00037 122 6PZ -0.02184 0.00030 -0.00270 0.01520 -0.00045 123 7D 0 0.02361 0.00014 -0.04393 -0.00373 0.01383 124 7D+1 -0.04854 0.01940 0.03569 -0.17601 0.06577 125 7D-1 0.07843 0.00748 -0.01819 0.29211 0.01068 126 7D+2 -0.01489 -0.03388 0.05852 -0.09025 0.04088 127 7D-2 -0.03018 0.01802 0.08891 -0.20172 -0.02855 128 8D 0 0.00957 0.00000 -0.01148 -0.00172 0.00367 129 8D+1 -0.01546 0.00743 0.01114 -0.05405 0.01766 130 8D-1 0.02502 0.00323 -0.00739 0.08922 0.00233 131 8D+2 -0.00400 -0.01297 0.01655 -0.02844 0.01106 132 8D-2 -0.00794 0.00674 0.02579 -0.06288 -0.00723 133 7 Cu 1S -0.00132 0.00007 0.00111 -0.00496 0.00020 134 2S 0.00996 -0.00045 -0.00932 0.04104 -0.00155 135 3S -0.04167 0.00244 0.04081 -0.18646 0.00785 136 4PX 0.00457 0.01175 -0.00005 0.00007 0.00128 137 4PY -0.00676 0.00757 0.00106 0.00018 0.00051 138 4PZ 0.01148 -0.00018 -0.00165 0.00192 0.00027 139 5PX -0.01545 -0.02591 0.00469 -0.02035 -0.00344 140 5PY 0.02337 -0.01732 -0.01037 0.03125 -0.00301 141 5PZ -0.01853 -0.00004 -0.00199 0.02759 -0.00230 142 6PX -0.00288 -0.00047 0.00309 -0.01381 -0.00066 143 6PY 0.00441 -0.00064 -0.00535 0.02190 -0.00133 144 6PZ 0.00588 -0.00030 -0.00170 0.00878 -0.00064 145 7D 0 0.14805 -0.00202 -0.02945 -0.10253 0.01676 146 7D+1 -0.01730 0.08858 -0.02592 0.15198 0.03935 147 7D-1 0.03187 0.05720 0.07505 -0.22731 0.03279 148 7D+2 0.04553 -0.14935 0.01156 0.04833 0.00942 149 7D-2 0.10216 0.06763 0.00629 0.10295 -0.02094 150 8D 0 0.04552 -0.00062 -0.00777 -0.03228 0.00478 151 8D+1 -0.00460 0.02734 -0.00854 0.04972 0.01032 152 8D-1 0.00865 0.01775 0.02305 -0.07492 0.00964 153 8D+2 0.01421 -0.04570 0.00241 0.01607 0.00193 154 8D-2 0.03185 0.02064 0.00030 0.03449 -0.00564 155 8 C 1S 0.00565 -0.00026 -0.00678 0.03087 -0.00125 156 2S -0.01080 0.00050 0.01335 -0.06293 0.00268 157 3S -0.02323 0.00104 0.03498 -0.15078 0.00549 158 4PX 0.00722 -0.01394 -0.01028 0.04668 -0.00144 159 4PY -0.01265 -0.00769 0.01681 -0.07679 0.00338 160 4PZ -0.01397 0.00029 0.00096 -0.00662 0.00041 161 5PX 0.00407 0.00457 -0.00114 0.00484 -0.00189 162 5PY -0.00632 0.00312 0.00121 -0.00845 -0.00043 163 5PZ 0.00294 0.00000 0.00123 0.00175 -0.00065 164 9 O 1S -0.00162 0.00007 0.00138 -0.00591 0.00022 165 2S 0.00519 -0.00024 -0.00360 0.01665 -0.00069 166 3S 0.00436 -0.00022 -0.00744 0.02764 -0.00071 167 4PX -0.00575 0.02697 0.00788 -0.03380 0.00217 168 4PY 0.01090 0.01571 -0.01212 0.05646 -0.00180 169 4PZ 0.02920 -0.00064 -0.00026 -0.00314 0.00046 170 5PX -0.00149 0.01288 0.00342 -0.01303 0.00162 171 5PY 0.00310 0.00764 -0.00482 0.02211 -0.00016 172 5PZ 0.01456 -0.00033 -0.00060 -0.00331 0.00054 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26594 -0.26548 -0.26142 -0.25961 -0.25929 1 1 Cu 1S 0.00023 -0.00071 -0.00145 -0.00065 0.00008 2 2S -0.01312 0.03915 0.03433 -0.00882 -0.00120 3 3S -0.01920 0.03196 0.00591 -0.04066 0.00146 4 4PX 0.00232 0.00415 -0.00266 -0.00615 -0.00065 5 4PY 0.00470 -0.00813 -0.00305 0.00148 0.00005 6 4PZ 0.00337 0.00108 0.00485 -0.00111 -0.00075 7 5PX -0.01468 -0.03602 0.00792 0.02466 0.00347 8 5PY -0.02566 0.03629 0.00080 -0.00900 -0.00054 9 5PZ -0.02718 0.00310 -0.01655 0.00649 0.00270 10 6PX -0.00879 -0.01424 0.00336 0.00480 0.00207 11 6PY 0.00288 -0.00024 -0.00463 -0.00686 -0.00090 12 6PZ -0.00974 -0.00192 -0.00388 0.00356 0.00070 13 7D 0 -0.03493 0.18966 -0.04467 -0.04964 -0.22803 14 7D+1 0.15805 -0.21155 -0.00147 0.19143 -0.10055 15 7D-1 0.15888 0.19280 0.23201 0.00931 -0.18066 16 7D+2 -0.10923 0.04589 -0.03216 -0.02473 0.13470 17 7D-2 0.24663 0.19372 -0.14029 -0.02008 -0.23300 18 8D 0 -0.01185 0.06125 -0.01411 -0.01542 -0.07193 19 8D+1 0.05206 -0.07019 -0.00008 0.06294 -0.03176 20 8D-1 0.05209 0.06200 0.07353 0.00270 -0.05700 21 8D+2 -0.03395 0.01441 -0.00971 -0.00832 0.04195 22 8D-2 0.07968 0.06301 -0.04425 -0.00692 -0.07368 23 2 Cu 1S 0.00012 -0.00035 -0.00113 0.00149 0.00010 24 2S -0.02099 0.01639 0.03101 0.02048 -0.00185 25 3S -0.02555 -0.00025 0.00629 0.08695 0.00388 26 4PX -0.00051 -0.00148 -0.00556 0.00435 0.00025 27 4PY 0.00649 -0.00459 -0.00045 -0.00562 -0.00072 28 4PZ 0.00271 0.00333 -0.00023 -0.00287 0.00075 29 5PX 0.01012 0.00262 0.01732 -0.01201 0.00013 30 5PY -0.04004 0.02628 -0.00353 0.02576 0.00276 31 5PZ -0.01274 -0.02675 -0.00663 0.01730 -0.00397 32 6PX 0.00552 0.00346 0.00141 0.00764 0.00073 33 6PY -0.00329 0.01567 -0.00234 0.01130 0.00001 34 6PZ 0.00945 -0.00824 -0.00097 0.01382 -0.00201 35 7D 0 -0.05244 0.31516 0.08365 -0.22234 -0.28197 36 7D+1 0.06438 -0.00224 -0.09368 -0.10449 0.17028 37 7D-1 -0.05729 0.00063 0.10380 0.09830 -0.01497 38 7D+2 -0.30772 0.13310 -0.15187 0.30776 -0.19041 39 7D-2 0.13928 -0.08928 -0.10584 -0.16792 -0.09583 40 8D 0 -0.01588 0.10202 0.02664 -0.07235 -0.08854 41 8D+1 0.01983 -0.00054 -0.02955 -0.03378 0.05400 42 8D-1 -0.02015 -0.00076 0.03205 0.03182 -0.00405 43 8D+2 -0.10071 0.04225 -0.04800 0.10004 -0.05997 44 8D-2 0.04516 -0.03009 -0.03350 -0.05507 -0.03027 45 3 Cu 1S 0.00001 -0.00043 -0.00101 -0.00169 -0.00004 46 2S 0.00262 0.00161 0.02882 -0.02560 -0.00020 47 3S 0.00379 -0.01723 0.00524 -0.09629 -0.00218 48 4PX 0.00546 -0.00081 -0.00186 -0.00424 -0.00185 49 4PY 0.00229 0.00279 0.00430 0.00722 -0.00078 50 4PZ -0.00005 0.00163 -0.00267 0.00396 -0.00016 51 5PX -0.03740 0.00516 0.00871 0.01739 0.00846 52 5PY -0.01557 -0.01713 -0.01787 -0.02814 0.00387 53 5PZ -0.00073 -0.01457 0.00069 -0.02524 0.00065 54 6PX -0.01690 -0.00197 0.00013 0.00273 0.00278 55 6PY -0.00852 -0.00321 -0.00022 -0.00101 0.00161 56 6PZ -0.00281 0.00963 0.00027 -0.02404 0.00001 57 7D 0 0.06255 0.02534 0.00455 0.18975 0.03314 58 7D+1 0.35541 0.00302 -0.10830 -0.05267 0.14453 59 7D-1 0.19634 0.12512 0.21260 0.13205 0.11906 60 7D+2 -0.20449 0.10890 0.02985 0.27463 -0.28200 61 7D-2 0.04448 0.16602 -0.00384 0.36445 0.17908 62 8D 0 0.02039 0.00661 0.00099 0.06216 0.01029 63 8D+1 0.11503 0.00098 -0.03391 -0.01724 0.04498 64 8D-1 0.06325 0.04159 0.06698 0.04297 0.03724 65 8D+2 -0.06509 0.03656 0.00981 0.08906 -0.08890 66 8D-2 0.01334 0.05516 -0.00063 0.11826 0.05666 67 4 Cu 1S -0.00017 -0.00037 -0.00119 0.00142 -0.00005 68 2S 0.02136 0.02138 0.03173 0.01907 0.00278 69 3S 0.02604 0.00625 0.00633 0.08342 -0.00058 70 4PX 0.00521 0.00514 0.00357 0.00284 -0.00003 71 4PY -0.00337 -0.00246 0.00438 -0.00626 0.00034 72 4PZ -0.00342 0.00338 0.00085 -0.00236 -0.00059 73 5PX -0.02691 -0.02423 -0.00566 -0.01775 0.00012 74 5PY 0.02718 0.02156 -0.01533 0.02187 -0.00047 75 5PZ 0.01922 -0.02607 -0.00949 0.01336 0.00356 76 6PX 0.00457 -0.01239 0.00176 -0.01526 -0.00094 77 6PY 0.00611 0.00853 -0.00300 -0.00065 0.00063 78 6PZ -0.00537 -0.01160 -0.00160 0.00974 0.00210 79 7D 0 -0.01802 0.29258 0.08404 -0.19273 0.31851 80 7D+1 -0.01401 -0.12291 -0.08944 0.00691 0.00602 81 7D-1 0.14699 0.01285 0.09290 0.22305 0.13800 82 7D+2 -0.21049 -0.17347 -0.02387 -0.23651 0.00921 83 7D-2 0.17749 0.14054 -0.19763 0.17423 0.18857 84 8D 0 -0.00732 0.09445 0.02687 -0.06272 0.10028 85 8D+1 -0.00598 -0.03970 -0.02784 0.00203 0.00269 86 8D-1 0.04831 0.00352 0.02889 0.07235 0.04345 87 8D+2 -0.06808 -0.05717 -0.00775 -0.07739 0.00264 88 8D-2 0.05877 0.04471 -0.06248 0.05655 0.05943 89 5 Cu 1S -0.00017 -0.00077 -0.00149 -0.00050 -0.00008 90 2S 0.00896 0.04143 0.03477 -0.00696 0.00053 91 3S 0.01422 0.03629 0.00618 -0.03150 -0.00247 92 4PX 0.00517 0.00548 0.00321 0.00285 -0.00050 93 4PY 0.00099 -0.00785 0.00003 0.00585 -0.00054 94 4PZ -0.00235 0.00063 0.00557 -0.00078 0.00063 95 5PX -0.03226 -0.01846 -0.00264 -0.01021 0.00233 96 5PY -0.00951 0.04771 -0.00489 -0.02540 0.00289 97 5PZ 0.01982 0.01035 -0.01751 0.00508 -0.00224 98 6PX -0.00685 0.00664 0.00279 0.00039 0.00098 99 6PY -0.01139 0.00916 -0.00505 -0.00771 0.00200 100 6PZ 0.00810 0.00281 -0.00425 0.00343 -0.00055 101 7D 0 0.05528 0.23618 -0.08212 -0.07728 0.14908 102 7D+1 0.15469 -0.03587 -0.19970 -0.07131 -0.21884 103 7D-1 0.01653 0.25176 0.13756 -0.11943 -0.05136 104 7D+2 -0.35420 0.12533 -0.07478 -0.01838 0.30974 105 7D-2 -0.02826 0.06091 -0.09073 0.00024 -0.01851 106 8D 0 0.01868 0.07711 -0.02608 -0.02452 0.04695 107 8D+1 0.05053 -0.01021 -0.06348 -0.02365 -0.06906 108 8D-1 0.00513 0.08246 0.04339 -0.03973 -0.01615 109 8D+2 -0.11431 0.04099 -0.02372 -0.00621 0.09775 110 8D-2 -0.01025 0.01880 -0.02821 -0.00022 -0.00538 111 6 Cu 1S 0.00000 0.00068 -0.00006 0.00011 0.00000 112 2S -0.00004 -0.00165 0.01900 -0.00003 0.00001 113 3S -0.00044 0.05115 -0.01965 -0.00164 -0.00003 114 4PX -0.01236 0.00285 0.00403 -0.00006 -0.00091 115 4PY -0.00752 -0.00420 -0.00635 0.00009 -0.00057 116 4PZ -0.00004 -0.02051 -0.00651 0.00034 -0.00001 117 5PX 0.06169 0.00643 0.01330 0.00045 0.00318 118 5PY 0.03808 -0.01181 -0.02161 -0.00113 0.00196 119 5PZ 0.00040 0.07977 -0.00460 -0.00050 0.00001 120 6PX -0.00815 -0.00725 -0.00552 0.00052 0.00090 121 6PY -0.00514 0.01148 0.00916 -0.00022 0.00055 122 6PZ -0.00019 0.00187 -0.00369 -0.00007 0.00001 123 7D 0 -0.00181 -0.12987 -0.01506 0.13585 0.00286 124 7D+1 -0.07189 -0.05850 -0.03810 0.00692 0.00000 125 7D-1 -0.04704 0.09312 0.05958 -0.11964 -0.00256 126 7D+2 0.11082 -0.08710 -0.02871 -0.09672 0.00162 127 7D-2 -0.05145 -0.17760 -0.05882 -0.11258 -0.00416 128 8D 0 -0.00054 -0.04177 -0.00564 0.03976 0.00084 129 8D+1 -0.02263 -0.01756 -0.01278 0.00218 -0.00001 130 8D-1 -0.01484 0.02801 0.02004 -0.03538 -0.00077 131 8D+2 0.03573 -0.02759 -0.00993 -0.02866 0.00057 132 8D-2 -0.01664 -0.05621 -0.02034 -0.03325 -0.00128 133 7 Cu 1S 0.00002 -0.00252 -0.00239 0.00004 0.00000 134 2S -0.00013 0.01965 0.06111 -0.00070 0.00001 135 3S 0.00107 -0.09572 0.04883 -0.00058 -0.00004 136 4PX -0.00544 -0.00234 0.00000 0.00012 0.00193 137 4PY -0.00338 0.00384 -0.00005 -0.00094 0.00116 138 4PZ -0.00008 -0.00414 -0.00135 0.00104 0.00006 139 5PX 0.00483 -0.00714 -0.00274 -0.00031 -0.00936 140 5PY 0.00276 0.01110 0.00457 0.00411 -0.00566 141 5PZ -0.00010 0.01743 0.00827 -0.00518 -0.00027 142 6PX 0.01758 -0.00003 -0.00500 -0.00025 -0.00409 143 6PY 0.01082 -0.00039 0.00778 0.00191 -0.00247 144 6PZ 0.00009 0.02151 0.01460 -0.00305 -0.00012 145 7D 0 0.00104 0.12867 0.01596 -0.14438 -0.00458 146 7D+1 0.08359 0.04691 -0.28530 0.01097 -0.04387 147 7D-1 0.05531 -0.07508 0.45339 0.08478 -0.02616 148 7D+2 -0.14563 0.08231 -0.15559 0.05960 0.05633 149 7D-2 0.06973 0.16859 -0.32684 0.07844 -0.02524 150 8D 0 0.00034 0.04087 0.00506 -0.04605 -0.00145 151 8D+1 0.02661 0.01558 -0.08996 0.00343 -0.01385 152 8D-1 0.01762 -0.02493 0.14297 0.02721 -0.00825 153 8D+2 -0.04623 0.02651 -0.04907 0.01918 0.01784 154 8D-2 0.02212 0.05431 -0.10307 0.02519 -0.00799 155 8 C 1S -0.00018 0.01740 0.01270 -0.00023 0.00000 156 2S 0.00036 -0.03527 -0.02380 0.00074 0.00000 157 3S 0.00088 -0.08810 -0.07821 -0.00046 -0.00004 158 4PX 0.01671 0.02779 0.01891 -0.00087 0.00086 159 4PY 0.01082 -0.04598 -0.03113 0.00002 0.00052 160 4PZ 0.00013 0.01716 0.00015 0.00212 0.00005 161 5PX 0.00117 0.00247 0.01154 -0.00015 0.00014 162 5PY 0.00072 -0.00417 -0.01876 0.00044 0.00008 163 5PZ 0.00000 0.00264 -0.00349 -0.00074 0.00000 164 9 O 1S 0.00003 -0.00327 -0.00178 0.00006 0.00000 165 2S -0.00008 0.00868 0.00620 -0.00047 0.00000 166 3S -0.00018 0.01664 0.00304 0.00075 0.00001 167 4PX -0.02512 -0.01929 -0.01222 0.00121 -0.00129 168 4PY -0.01569 0.03241 0.02048 0.00030 -0.00078 169 4PZ -0.00012 -0.03342 -0.00873 -0.00368 -0.00008 170 5PX -0.01311 -0.00752 -0.00597 0.00020 -0.00072 171 5PY -0.00812 0.01281 0.00996 0.00050 -0.00042 172 5PZ -0.00004 -0.01885 -0.00385 -0.00107 -0.00003 66 67 68 69 70 O O O O O EIGENVALUES -- -0.25881 -0.25767 -0.25764 -0.25257 -0.25161 1 1 Cu 1S -0.00163 0.00022 0.00037 -0.00002 -0.00039 2 2S -0.02252 -0.01949 -0.00775 0.00176 -0.00303 3 3S -0.09782 -0.00763 0.01118 0.00114 -0.02765 4 4PX -0.00092 -0.00460 0.00667 -0.01008 -0.00831 5 4PY 0.00460 0.00495 0.00237 -0.00061 -0.00321 6 4PZ 0.00765 -0.00016 0.00456 -0.00653 -0.00716 7 5PX 0.00076 0.02571 -0.02753 0.05217 0.02722 8 5PY -0.02655 -0.02778 -0.01154 0.00292 0.01265 9 5PZ -0.02865 -0.00712 -0.02596 0.03407 0.02782 10 6PX -0.00361 0.01076 -0.01094 0.04750 0.00031 11 6PY -0.02138 -0.01629 -0.00463 0.00177 -0.00226 12 6PZ -0.00160 -0.00469 -0.01321 0.03168 0.00632 13 7D 0 -0.27973 -0.10037 -0.25257 0.22817 0.09036 14 7D+1 0.40332 0.14251 -0.11158 0.11782 0.09935 15 7D-1 0.05337 -0.03953 -0.00072 -0.15841 -0.07585 16 7D+2 -0.02177 -0.31318 -0.00203 -0.11089 0.14097 17 7D-2 0.00079 0.00381 0.06121 -0.25929 -0.06160 18 8D 0 -0.09136 -0.03380 -0.08221 0.07535 0.02941 19 8D+1 0.13118 0.04508 -0.03661 0.03886 0.03217 20 8D-1 0.01745 -0.01214 0.00081 -0.05227 -0.02424 21 8D+2 -0.00706 -0.10379 -0.00185 -0.03668 0.04566 22 8D-2 0.00066 -0.00024 0.02037 -0.08552 -0.01980 23 2 Cu 1S 0.00086 0.00052 -0.00024 -0.00004 0.00088 24 2S 0.01525 -0.00913 0.00829 0.00254 0.00801 25 3S 0.05019 0.02274 -0.00957 0.00303 0.06416 26 4PX 0.00342 0.00003 -0.00030 0.00057 -0.00112 27 4PY -0.00019 -0.00337 -0.00741 0.00800 0.00107 28 4PZ -0.00647 0.00753 0.00336 -0.00859 0.00851 29 5PX -0.01206 0.00712 -0.00317 -0.00358 0.00972 30 5PY 0.00414 0.01185 0.03815 -0.04083 -0.00767 31 5PZ 0.02980 -0.03760 -0.01034 0.04346 -0.03199 32 6PX 0.00440 0.00650 -0.00294 -0.00449 0.01312 33 6PY 0.00632 0.00546 0.01695 -0.03792 0.00075 34 6PZ 0.01339 -0.01651 -0.00122 0.03951 0.00044 35 7D 0 -0.15078 0.05314 -0.04059 -0.17774 0.02438 36 7D+1 -0.10036 0.23369 0.02565 -0.24155 0.09696 37 7D-1 0.02516 0.15283 -0.17212 0.02442 0.38154 38 7D+2 0.20171 -0.02115 0.03302 -0.04906 0.00550 39 7D-2 -0.11576 -0.05871 -0.23539 0.24774 0.01497 40 8D 0 -0.04902 0.01774 -0.01263 -0.05855 0.00761 41 8D+1 -0.03346 0.07618 0.00839 -0.07975 0.03158 42 8D-1 0.00761 0.05144 -0.05804 0.00817 0.12303 43 8D+2 0.06570 -0.00719 0.01166 -0.01604 0.00190 44 8D-2 -0.03693 -0.01943 -0.07641 0.08179 0.00516 45 3 Cu 1S 0.00006 -0.00027 -0.00039 0.00000 -0.00103 46 2S 0.00118 0.00541 0.00787 -0.00031 -0.00980 47 3S 0.00314 -0.01620 -0.02411 -0.00042 -0.07587 48 4PX -0.00255 -0.00817 0.00657 0.01003 0.00196 49 4PY -0.00179 -0.00540 0.00166 0.00528 -0.00370 50 4PZ -0.00052 -0.00286 -0.00214 0.00121 -0.00623 51 5PX 0.00833 0.03400 -0.03405 -0.05083 -0.01068 52 5PY 0.00651 0.02951 0.00035 -0.02677 0.01987 53 5PZ 0.00233 0.01469 0.01291 -0.00609 0.02236 54 6PX -0.00187 0.01289 -0.01548 -0.04729 -0.00534 55 6PY -0.00064 0.01436 0.00380 -0.02498 0.01207 56 6PZ 0.00102 0.00572 0.00527 -0.00555 -0.00812 57 7D 0 -0.00774 -0.18749 -0.24010 0.05578 -0.34912 58 7D+1 0.03101 -0.09833 0.14289 0.28286 0.13369 59 7D-1 0.00796 -0.05624 0.01868 0.12363 -0.07703 60 7D+2 -0.00804 -0.13457 0.10098 0.16023 0.11773 61 7D-2 -0.02006 0.13207 -0.05280 -0.14790 0.19815 62 8D 0 -0.00266 -0.06193 -0.07938 0.01838 -0.11259 63 8D+1 0.00963 -0.03186 0.04779 0.09323 0.04284 64 8D-1 0.00241 -0.01921 0.00514 0.04072 -0.02429 65 8D+2 -0.00320 -0.04362 0.03331 0.05303 0.03793 66 8D-2 -0.00599 0.04366 -0.01634 -0.04888 0.06375 67 4 Cu 1S -0.00098 -0.00042 0.00040 0.00004 0.00080 68 2S -0.01708 0.01297 -0.00464 -0.00271 0.00703 69 3S -0.05816 -0.01449 0.01755 -0.00305 0.05789 70 4PX 0.00050 0.00459 0.00347 0.00531 -0.00088 71 4PY 0.00255 -0.00270 -0.00425 -0.00494 -0.00005 72 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0.00239 0.00200 2 2S -0.23409 0.12572 -0.11582 -0.00698 0.01475 3 3S -0.14560 0.16839 -0.20682 0.03649 -0.00715 4 4PX -0.02999 0.02096 -0.01197 0.00990 -0.01423 5 4PY -0.02459 -0.00374 -0.02851 0.02757 0.04252 6 4PZ -0.00511 -0.01587 0.03983 -0.00725 0.02176 7 5PX 0.12187 -0.07981 0.04186 -0.03580 0.06432 8 5PY 0.13124 -0.00209 0.11291 -0.09168 -0.19199 9 5PZ -0.02148 0.04660 -0.14316 0.01922 -0.05834 10 6PX 0.04675 -0.01745 0.05199 0.01532 0.10634 11 6PY 0.07550 0.00632 0.04261 -0.05979 -0.29111 12 6PZ -0.00853 0.08849 -0.08163 -0.00534 -0.10856 13 7D 0 0.02283 0.03765 -0.00247 0.01392 0.01394 14 7D+1 -0.01976 -0.00745 0.06742 -0.00238 -0.00052 15 7D-1 0.00378 0.01889 0.03050 -0.02579 0.04431 16 7D+2 -0.02014 -0.00141 0.03174 -0.03331 -0.02515 17 7D-2 -0.00815 0.01834 0.00247 0.03699 0.02544 18 8D 0 0.00684 0.01282 -0.00101 0.00411 0.00077 19 8D+1 -0.00540 -0.00327 0.01867 -0.00028 0.00184 20 8D-1 0.00347 0.00358 0.00977 -0.00786 0.01164 21 8D+2 -0.00492 0.00022 0.00760 -0.00970 -0.00722 22 8D-2 -0.00389 0.00591 -0.00035 0.01049 0.00718 23 2 Cu 1S 0.00538 0.00188 -0.00484 0.00688 -0.00108 24 2S 0.13284 -0.00351 -0.03918 0.05866 0.01666 25 3S 0.10930 0.06865 -0.09324 0.18661 -0.03160 26 4PX 0.01191 0.01596 -0.02924 0.04615 -0.00312 27 4PY -0.04112 -0.00780 -0.01538 -0.00643 -0.02335 28 4PZ 0.04143 -0.02910 -0.02140 0.00155 -0.01662 29 5PX -0.06463 -0.03266 0.11470 -0.14017 -0.00027 30 5PY 0.12906 0.01321 0.05717 0.02225 0.07128 31 5PZ -0.15681 0.09550 0.06950 -0.01818 0.08974 32 6PX -0.06154 -0.08485 0.05231 -0.08380 0.00490 33 6PY 0.05402 0.11510 0.01619 -0.00688 0.11952 34 6PZ -0.01916 0.09451 0.05126 0.01688 0.12662 35 7D 0 0.00657 -0.03796 0.03513 -0.00438 0.06055 36 7D+1 0.01472 -0.01350 -0.03909 -0.00582 -0.01887 37 7D-1 -0.01354 0.01036 -0.04643 0.01923 0.00284 38 7D+2 0.00355 0.02034 -0.01750 0.07251 0.03944 39 7D-2 -0.02422 -0.02709 -0.00651 0.01325 -0.00918 40 8D 0 0.00099 -0.01135 0.00945 -0.00270 0.01539 41 8D+1 0.00443 -0.00525 -0.01190 -0.00277 -0.00347 42 8D-1 -0.00395 0.00281 -0.01180 0.00448 -0.00085 43 8D+2 0.00234 0.00650 -0.00439 0.02266 0.01060 44 8D-2 -0.00661 -0.01009 -0.00244 0.00323 -0.00402 45 3 Cu 1S 0.00154 -0.00018 -0.00584 0.00813 -0.00262 46 2S 0.04550 0.00392 -0.08315 0.06605 0.01894 47 3S 0.02907 -0.00673 -0.10747 0.22862 -0.00986 48 4PX 0.05797 -0.01361 0.00028 0.02638 0.02165 49 4PY 0.02776 -0.00425 0.00729 -0.05263 -0.02638 50 4PZ 0.00929 -0.00112 -0.04536 0.01209 -0.06056 51 5PX -0.20813 0.02919 0.01084 -0.07732 -0.08686 52 5PY -0.09274 0.00870 -0.05025 0.15360 0.11047 53 5PZ -0.04195 0.00159 0.16706 -0.04706 0.25919 54 6PX -0.03212 0.06051 -0.02387 -0.07414 -0.11966 55 6PY -0.00895 0.01348 0.02068 0.14276 0.14651 56 6PZ -0.01426 -0.00283 0.11759 0.01301 0.36781 57 7D 0 0.00140 0.00291 -0.05392 -0.00549 -0.02019 58 7D+1 0.02951 0.01285 0.00155 0.01791 0.01053 59 7D-1 0.01451 0.01411 0.02173 -0.04390 0.00183 60 7D+2 0.00719 -0.03648 0.01017 -0.04760 -0.00653 61 7D-2 -0.00073 0.03049 0.01330 -0.05385 -0.00071 62 8D 0 0.00046 0.00093 -0.01602 -0.00459 -0.00816 63 8D+1 0.00800 0.00301 -0.00054 0.00559 0.00435 64 8D-1 0.00339 0.00363 0.00787 -0.01289 -0.00143 65 8D+2 0.00145 -0.01122 0.00194 -0.01493 -0.00225 66 8D-2 0.00004 0.00943 0.00202 -0.01712 -0.00097 67 4 Cu 1S -0.00883 -0.00338 -0.00471 0.00627 -0.00059 68 2S -0.21972 -0.02498 -0.03512 0.05180 0.01582 69 3S -0.17695 -0.10144 -0.08986 0.16917 -0.03584 70 4PX -0.00367 0.00182 0.03285 -0.02070 0.01496 71 4PY 0.03818 0.01817 0.01693 -0.03706 -0.00358 72 4PZ -0.03426 0.03236 -0.01196 -0.00260 -0.00531 73 5PX -0.02984 -0.00791 -0.12289 0.06208 -0.03319 74 5PY -0.15811 -0.04119 -0.06612 0.11562 0.01139 75 5PZ 0.12920 -0.10094 0.03479 -0.00484 0.04758 76 6PX -0.02556 0.04934 -0.04904 0.05483 -0.06555 77 6PY -0.09574 -0.12920 -0.03949 0.04282 0.02189 78 6PZ 0.01346 -0.10194 0.03515 0.01896 0.06522 79 7D 0 -0.00266 0.03020 0.05352 0.00142 0.06661 80 7D+1 -0.00127 -0.00442 0.04288 -0.00753 -0.01725 81 7D-1 0.01974 -0.03246 -0.00657 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4PZ 0.02448 0.02482 0.31819 0.41632 -0.29873 161 5PX 0.08249 0.26260 0.00018 0.01390 0.01230 162 5PY 0.04662 0.15826 -0.03246 -0.03390 -0.01141 163 5PZ 0.01496 0.01401 0.17961 0.24136 -0.20425 164 9 O 1S 0.00007 -0.00011 -0.00287 0.00358 0.01028 165 2S -0.00026 0.00029 0.00740 -0.01224 -0.02651 166 3S -0.00048 0.00060 0.01632 -0.01290 -0.07148 167 4PX -0.10417 -0.33081 0.00179 -0.00203 0.01303 168 4PY -0.06117 -0.19951 0.03756 0.01728 -0.02793 169 4PZ -0.02005 -0.01770 -0.22670 -0.30262 0.14904 170 5PX -0.07530 -0.24444 0.00251 -0.00440 0.00568 171 5PY -0.04414 -0.14753 0.02592 0.01773 -0.01542 172 5PZ -0.01400 -0.01317 -0.16966 -0.22750 0.13886 81 82 83 84 85 V V V V V EIGENVALUES -- -0.01529 -0.00317 -0.00255 0.00984 0.01143 1 1 Cu 1S -0.00264 0.00211 -0.00155 -0.00291 -0.00249 2 2S 0.00097 -0.08916 0.06995 -0.06641 -0.02642 3 3S -0.04470 -0.27420 0.28665 0.28933 -0.07086 4 4PX 0.01360 0.03106 -0.00665 -0.01104 -0.06385 5 4PY -0.04287 0.02708 -0.01394 0.00952 -0.01054 6 4PZ -0.01018 -0.02601 0.03782 0.01752 -0.03291 7 5PX -0.02434 -0.08854 0.10517 0.07421 0.26164 8 5PY 0.18242 -0.13560 0.09592 -0.02187 0.05834 9 5PZ 0.05656 0.17021 -0.14684 -0.12342 0.11697 10 6PX -0.06476 -0.22968 0.19906 0.03278 0.47125 11 6PY 0.29646 -0.26646 0.16855 -0.23002 0.13148 12 6PZ 0.06499 0.35050 -0.31292 -0.04266 0.17831 13 7D 0 0.02308 -0.03628 -0.04196 0.00634 -0.00560 14 7D+1 0.00943 -0.00756 -0.02205 0.02219 -0.01924 15 7D-1 0.02365 0.01616 0.00289 -0.01654 -0.00152 16 7D+2 -0.00351 0.01768 0.01670 0.02104 -0.00982 17 7D-2 0.05299 0.02108 0.02576 0.01395 0.01028 18 8D 0 0.00541 -0.01072 -0.01344 0.00096 0.00105 19 8D+1 0.00058 -0.00503 -0.00573 0.00283 -0.00265 20 8D-1 0.00664 0.00708 0.00103 -0.00146 -0.00254 21 8D+2 0.00132 0.00524 0.00466 0.00238 -0.00331 22 8D-2 0.01458 0.00682 0.01037 0.00118 -0.00021 23 2 Cu 1S -0.00342 -0.00168 -0.00245 -0.00350 0.00670 24 2S 0.00570 0.02168 0.09431 -0.08320 0.06880 25 3S -0.01025 0.14967 0.39782 0.17227 0.25629 26 4PX 0.00013 -0.02197 -0.05395 -0.01503 0.02363 27 4PY -0.04580 -0.01234 0.00719 0.01160 -0.02308 28 4PZ -0.04516 0.01194 -0.00873 0.00677 0.04437 29 5PX 0.01754 0.12295 0.29104 0.11603 -0.14800 30 5PY 0.21180 0.00112 0.00619 -0.04900 0.07792 31 5PZ 0.18572 0.03250 0.02562 -0.03369 -0.19855 32 6PX 0.05277 0.22960 0.57879 -0.07011 -0.39926 33 6PY 0.28127 0.01723 0.02909 -0.17489 0.09624 34 6PZ 0.25924 0.03496 0.08408 -0.13906 -0.40199 35 7D 0 -0.03114 0.01568 -0.00875 0.00309 0.01828 36 7D+1 0.00260 0.06020 -0.00998 0.00398 -0.02085 37 7D-1 -0.02224 -0.00874 0.00486 -0.03479 -0.04839 38 7D+2 -0.00736 0.00273 0.01211 0.00560 -0.03426 39 7D-2 0.00274 -0.03148 0.02846 0.01206 0.00252 40 8D 0 -0.00932 0.00642 -0.00300 0.00043 0.00522 41 8D+1 -0.00086 0.01921 -0.00231 -0.00034 -0.00384 42 8D-1 -0.00720 -0.00179 0.00071 -0.00397 -0.00952 43 8D+2 0.00024 0.00187 0.00276 0.00031 -0.00777 44 8D-2 0.00043 -0.01086 0.01026 0.00154 -0.00222 45 3 Cu 1S 0.00037 -0.00379 0.00024 -0.00297 -0.00872 46 2S -0.00078 0.08080 -0.01003 -0.08177 -0.09595 47 3S 0.00003 0.38481 -0.04239 0.14199 -0.33002 48 4PX 0.00203 -0.01701 0.02095 -0.00773 -0.00602 49 4PY 0.00490 0.04381 0.00541 0.01445 0.02396 50 4PZ 0.00678 -0.03153 0.00485 0.00603 -0.03021 51 5PX 0.03444 0.09918 -0.00733 0.04915 0.04204 52 5PY 0.00298 -0.23047 0.02558 -0.09659 -0.14364 53 5PZ -0.02586 0.19648 -0.01487 -0.01446 0.18107 54 6PX 0.01341 0.18676 -0.02438 0.00266 0.10450 55 6PY -0.00751 -0.44217 0.04211 0.04413 -0.34397 56 6PZ -0.03857 0.39230 -0.03592 -0.24069 0.45569 57 7D 0 0.01420 0.01551 0.00607 -0.01803 0.04275 58 7D+1 0.05799 0.01472 0.03593 0.01563 -0.00336 59 7D-1 0.03728 -0.02255 0.01329 -0.01570 -0.02578 60 7D+2 -0.03733 0.00625 0.04936 0.01446 -0.03774 61 7D-2 0.01560 0.00472 -0.03794 0.02626 -0.05084 62 8D 0 0.00420 0.00541 0.00229 -0.00268 0.00961 63 8D+1 0.01637 0.00458 0.01334 0.00143 0.00028 64 8D-1 0.01024 -0.00675 0.00545 -0.00081 -0.00720 65 8D+2 -0.00717 0.00194 0.01430 0.00202 -0.00791 66 8D-2 0.00231 0.00145 -0.01162 0.00345 -0.01044 67 4 Cu 1S 0.00372 -0.00105 0.00255 -0.00339 0.00709 68 2S -0.00541 0.00458 -0.10058 -0.08025 0.07353 69 3S 0.01599 0.08252 -0.41821 0.19390 0.27482 70 4PX -0.04930 0.01344 -0.02870 -0.00348 -0.00549 71 4PY 0.02334 0.00121 -0.05029 0.01908 -0.03591 72 4PZ 0.04134 0.01735 -0.00382 0.00770 0.03802 73 5PX 0.22704 -0.03520 0.17882 -0.01460 0.06908 74 5PY -0.08993 -0.06076 0.25016 -0.12448 0.18247 75 5PZ -0.17148 0.01087 0.02765 -0.04750 -0.16204 76 6PX 0.32920 -0.06696 0.37521 0.21422 0.24425 77 6PY -0.10193 -0.09517 0.49557 -0.04414 0.42168 78 6PZ -0.23507 -0.00965 0.03065 -0.10813 -0.31095 79 7D 0 0.01340 -0.00194 0.00693 0.00804 0.03279 80 7D+1 -0.02287 -0.03638 -0.00311 0.02715 0.04405 81 7D-1 0.01078 -0.05450 -0.00542 -0.02239 -0.02290 82 7D+2 0.00351 -0.03336 -0.01469 0.00179 0.00401 83 7D-2 -0.00245 0.00065 -0.01705 0.01115 -0.03450 84 8D 0 0.00405 0.00048 0.00204 0.00123 0.00778 85 8D+1 -0.00796 -0.01308 -0.00139 0.00356 0.00763 86 8D-1 0.00208 -0.01666 -0.00022 -0.00200 -0.00496 87 8D+2 0.00279 -0.01171 -0.00610 0.00050 -0.00118 88 8D-2 -0.00200 0.00091 -0.00533 0.00090 -0.00866 89 5 Cu 1S 0.00200 0.00246 0.00117 -0.00303 -0.00310 90 2S -0.00042 -0.10031 -0.05446 -0.06645 -0.03307 91 3S 0.03868 -0.31580 -0.22213 0.29285 -0.09637 92 4PX -0.02135 -0.03605 -0.00292 -0.00498 0.05038 93 4PY 0.02692 -0.00544 0.00882 0.01230 0.04767 94 4PZ 0.00568 -0.04012 -0.03247 0.01919 -0.01674 95 5PX 0.11359 0.15007 0.08641 -0.00155 -0.21918 96 5PY -0.08265 -0.02046 0.01525 -0.06010 -0.18424 97 5PZ -0.03530 0.22177 0.13025 -0.13678 0.04617 98 6PX 0.16904 0.31106 0.13859 0.16756 -0.41727 99 6PY -0.16254 0.00707 0.02671 -0.14293 -0.30844 100 6PZ -0.03824 0.46750 0.27774 -0.03694 0.04060 101 7D 0 -0.01608 -0.02715 0.03644 0.00266 0.00296 102 7D+1 0.02447 0.00282 -0.02766 0.00449 0.01774 103 7D-1 -0.00267 0.01852 -0.03422 -0.02295 0.01456 104 7D+2 -0.06335 0.01065 -0.01739 0.00254 0.01329 105 7D-2 -0.01528 0.01616 -0.02232 0.02831 -0.01326 106 8D 0 -0.00362 -0.00721 0.01190 0.00032 0.00253 107 8D+1 0.00539 0.00043 -0.00839 0.00004 0.00370 108 8D-1 -0.00301 0.00892 -0.01009 -0.00253 0.00017 109 8D+2 -0.01667 0.00365 -0.00791 0.00011 0.00081 110 8D-2 -0.00572 0.00419 -0.00753 0.00303 -0.00432 111 6 Cu 1S 0.00000 0.00296 0.00003 0.00264 0.00020 112 2S -0.00004 0.05225 0.00059 0.05958 0.00319 113 3S 0.00007 0.16868 -0.00021 -0.31624 -0.00234 114 4PX -0.01400 0.00795 0.04318 0.00333 0.00006 115 4PY -0.00844 -0.01595 0.02606 -0.00531 -0.00009 116 4PZ -0.00037 0.04763 0.00143 -0.00494 -0.00039 117 5PX 0.05249 0.00791 -0.04746 -0.02258 0.00035 118 5PY 0.03159 -0.00802 -0.02945 0.03694 -0.00346 119 5PZ 0.00117 -0.08572 -0.00194 0.00290 0.00432 120 6PX -0.16059 0.00607 0.24366 0.37091 0.00979 121 6PY -0.09722 -0.02584 0.14715 -0.58381 -0.01633 122 6PZ -0.00420 0.25427 0.00781 -0.60097 -0.01439 123 7D 0 -0.00061 0.07845 0.00284 -0.01122 -0.01944 124 7D+1 -0.01079 -0.02322 0.04834 -0.03506 -0.00454 125 7D-1 -0.00788 0.03347 0.03245 0.05503 0.01836 126 7D+2 0.03459 0.02295 -0.08465 -0.02509 0.01290 127 7D-2 -0.01728 0.04086 0.04261 -0.05157 0.01646 128 8D 0 0.00000 0.02229 0.00079 -0.00258 -0.00800 129 8D+1 0.00104 -0.00739 0.01338 -0.00668 -0.00159 130 8D-1 0.00054 0.01079 0.00895 0.01033 0.00711 131 8D+2 0.00124 0.00575 -0.02228 -0.00512 0.00520 132 8D-2 -0.00059 0.01006 0.01117 -0.01036 0.00680 133 7 Cu 1S -0.00001 0.00203 0.00003 0.00808 0.00025 134 2S -0.00016 0.00252 0.00006 0.12229 0.00287 135 3S 0.00004 -0.04644 0.00105 0.98664 0.02860 136 4PX 0.06379 0.01600 0.01992 0.01879 0.00053 137 4PY 0.03885 -0.02726 0.01179 -0.02981 -0.00075 138 4PZ 0.00171 0.01662 0.00062 -0.02312 -0.00106 139 5PX -0.18044 -0.03170 0.02710 -0.08814 -0.00306 140 5PY -0.11000 0.04958 0.01703 0.14022 0.00511 141 5PZ -0.00493 0.04459 0.00116 0.09267 0.00230 142 6PX 0.02697 -0.07763 -0.01576 -0.39254 -0.01394 143 6PY 0.01565 0.12477 -0.00702 0.62322 0.02126 144 6PZ 0.00139 0.04195 -0.00058 0.49173 0.01879 145 7D 0 -0.00018 -0.06592 -0.00249 0.00382 -0.02116 146 7D+1 -0.00566 0.01547 -0.04084 0.02461 -0.00306 147 7D-1 -0.00353 -0.02145 -0.02678 -0.04004 0.01842 148 7D+2 0.00403 -0.01731 0.05889 0.01502 0.01693 149 7D-2 -0.00194 -0.03099 -0.02939 0.03231 0.02296 150 8D 0 -0.00005 -0.02255 -0.00084 0.00146 -0.00924 151 8D+1 -0.00153 0.00522 -0.01382 0.00663 -0.00144 152 8D-1 -0.00092 -0.00724 -0.00907 -0.01094 0.00813 153 8D+2 0.00090 -0.00613 0.02027 0.00397 0.00713 154 8D-2 -0.00041 -0.01101 -0.01016 0.00870 0.00963 155 8 C 1S -0.00001 0.00456 0.00004 0.03275 0.00107 156 2S 0.00006 -0.00410 -0.00005 -0.10009 -0.00258 157 3S 0.00002 -0.05846 -0.00068 -0.22568 -0.01149 158 4PX -0.26622 0.00772 0.18682 0.05206 0.00118 159 4PY -0.16164 -0.02334 0.11319 -0.08619 -0.00282 160 4PZ -0.00707 0.16919 0.00616 -0.00071 0.00006 161 5PX -0.16438 -0.00113 0.12132 -0.00879 -0.00068 162 5PY -0.09982 -0.00535 0.07338 0.01213 0.00272 163 5PZ -0.00435 0.11624 0.00392 0.04232 -0.00369 164 9 O 1S -0.00002 -0.00456 0.00000 0.01489 0.00046 165 2S 0.00006 0.01122 0.00001 -0.04353 -0.00181 166 3S 0.00011 0.03693 0.00004 -0.06490 0.00017 167 4PX 0.13471 -0.01147 -0.11103 -0.02440 0.00007 168 4PY 0.08182 0.02529 -0.06723 0.04054 0.00241 169 4PZ 0.00354 -0.10343 -0.00369 -0.00150 -0.00297 170 5PX 0.11895 -0.00609 -0.08837 -0.02869 -0.00132 171 5PY 0.07221 0.01521 -0.05348 0.04769 0.00244 172 5PZ 0.00311 -0.08311 -0.00288 -0.00402 0.00065 86 87 88 89 90 V V V V V EIGENVALUES -- 0.01149 0.02329 0.03422 0.04218 0.04231 1 1 Cu 1S -0.00838 -0.00045 0.00090 0.00022 -0.00026 2 2S -0.09058 0.00271 -0.06140 0.07030 -0.17022 3 3S -0.31974 0.19203 -0.56172 0.90329 -2.24876 4 4PX 0.00338 -0.01221 -0.00460 -0.01408 -0.00846 5 4PY -0.02621 0.01736 -0.02648 -0.00010 -0.00418 6 4PZ 0.03393 0.01400 0.00936 -0.01165 -0.00110 7 5PX 0.01382 0.02552 -0.01047 0.03801 -0.02873 8 5PY 0.15914 -0.00234 0.04782 0.04063 -0.07954 9 5PZ -0.17802 -0.04735 0.01472 -0.00796 0.07625 10 6PX 0.09322 0.08140 -0.38080 -0.23702 -0.51449 11 6PY 0.40487 -0.11664 -0.45935 0.34925 -0.86163 12 6PZ -0.40049 -0.02077 0.56431 -0.48855 0.49734 13 7D 0 0.00374 -0.02713 -0.00246 0.02023 0.01081 14 7D+1 -0.05877 0.02615 0.02890 0.01784 -0.01080 15 7D-1 -0.02213 0.00289 0.03730 -0.02200 0.00741 16 7D+2 -0.04740 -0.03543 0.02439 -0.00802 -0.01286 17 7D-2 0.00477 -0.00132 -0.02192 -0.02323 -0.02137 18 8D 0 0.00000 -0.00932 0.00002 0.00605 0.00320 19 8D+1 -0.01260 0.00790 0.01090 0.00629 -0.00556 20 8D-1 -0.00590 -0.00126 0.01248 -0.00860 0.00789 21 8D+2 -0.00996 -0.01282 0.01077 -0.00203 -0.00505 22 8D-2 0.00296 -0.00017 -0.00679 -0.00484 -0.01023 23 2 Cu 1S 0.00533 -0.00174 0.00101 -0.00034 0.00016 24 2S 0.06015 -0.03971 -0.05584 -0.15284 0.09575 25 3S 0.22802 -0.17849 -0.49477 -2.00543 1.27358 26 4PX 0.02538 -0.00906 -0.01921 -0.00613 0.00156 27 4PY 0.04625 0.01292 -0.01411 -0.00685 -0.01123 28 4PZ -0.03413 0.00614 -0.01434 0.00649 0.01368 29 5PX -0.14250 0.01465 0.00517 -0.08306 0.06126 30 5PY -0.19659 0.00680 0.03631 -0.01864 0.03784 31 5PZ 0.12084 0.00947 0.03669 -0.04838 -0.00068 32 6PX -0.34589 -0.21966 -0.75159 -0.85783 0.50476 33 6PY -0.38368 0.05947 -0.13090 -0.55489 -0.04316 34 6PZ 0.17190 0.10456 -0.23218 -0.21836 0.57306 35 7D 0 0.02191 0.02764 0.01936 0.00849 0.01884 36 7D+1 -0.00592 0.02029 -0.02798 0.00600 0.02927 37 7D-1 -0.03863 0.00994 -0.01659 0.01885 -0.01340 38 7D+2 -0.02446 -0.03151 -0.03694 0.00275 0.00474 39 7D-2 -0.00892 0.03803 -0.02117 -0.02565 -0.01584 40 8D 0 0.00340 0.00709 0.00701 0.00286 0.00484 41 8D+1 -0.00414 0.00654 -0.00951 -0.00125 0.01046 42 8D-1 -0.00762 0.00512 -0.00857 0.00948 -0.00643 43 8D+2 -0.00623 -0.00991 -0.01245 -0.00179 0.00304 44 8D-2 -0.00030 0.01188 -0.00707 -0.01046 -0.00279 45 3 Cu 1S -0.00036 -0.00224 0.00106 0.00042 0.00003 46 2S -0.00412 -0.06352 -0.04981 0.18250 0.01154 47 3S -0.00981 -0.40856 -0.41486 2.39856 0.15324 48 4PX -0.06541 -0.00579 -0.00096 0.00113 0.01791 49 4PY -0.03336 0.00958 0.00786 -0.00557 0.00921 50 4PZ -0.00884 0.00379 -0.02621 0.00405 0.00252 51 5PX 0.26499 -0.01389 -0.01258 0.02098 -0.03163 52 5PY 0.13265 0.01918 0.01265 -0.05661 -0.02206 53 5PZ 0.03827 0.02647 0.05144 0.09665 0.00195 54 6PX 0.46698 -0.17377 -0.18735 0.10777 0.46996 55 6PY 0.23146 0.33668 0.47965 -0.52623 0.21214 56 6PZ 0.07043 -0.00797 -0.57139 1.08991 0.12625 57 7D 0 0.00348 0.04256 -0.02856 0.00019 0.00691 58 7D+1 0.01001 -0.00689 -0.01300 0.00757 0.03333 59 7D-1 0.00297 0.00766 0.04111 -0.01421 0.01362 60 7D+2 0.00595 0.02779 0.01658 0.01060 0.01929 61 7D-2 -0.00780 0.04055 0.01618 0.02117 -0.01597 62 8D 0 0.00018 0.01424 -0.01128 -0.00024 0.00192 63 8D+1 -0.00090 -0.00306 -0.00326 0.00588 0.00968 64 8D-1 -0.00071 0.00295 0.01296 -0.01026 0.00339 65 8D+2 -0.00074 0.00740 0.00676 0.00389 0.00570 66 8D-2 0.00015 0.01050 0.00743 0.00869 -0.00452 67 4 Cu 1S -0.00490 -0.00151 0.00100 -0.00032 -0.00017 68 2S -0.05660 -0.03188 -0.05744 -0.14025 -0.11343 69 3S -0.20658 -0.10665 -0.51413 -1.83786 -1.50631 70 4PX 0.04508 -0.00801 0.02478 0.00852 -0.00481 71 4PY -0.01111 0.01501 0.00907 -0.00071 0.00880 72 4PZ 0.04572 0.00708 -0.00922 0.00967 -0.01314 73 5PX -0.21219 -0.01325 -0.03852 0.06098 0.07155 74 5PY 0.01809 -0.01639 0.01330 0.05867 0.03681 75 5PZ -0.17665 0.00131 0.03131 -0.03092 0.01280 76 6PX -0.44926 0.05630 0.55598 0.90647 0.44785 77 6PY -0.01765 0.16011 0.57734 0.35469 0.55094 78 6PZ -0.29208 0.12170 -0.07096 0.06119 -0.45770 79 7D 0 -0.02536 0.01813 0.02817 0.00374 -0.01007 80 7D+1 -0.02061 -0.02030 0.01603 -0.02689 0.00937 81 7D-1 0.02321 -0.02030 0.00206 0.00150 0.03255 82 7D+2 0.00742 0.04788 -0.00926 -0.02200 0.01598 83 7D-2 0.02276 -0.00974 -0.04598 -0.00491 -0.00643 84 8D 0 -0.00497 0.00373 0.01046 0.00145 -0.00220 85 8D+1 -0.00628 -0.00745 0.00766 -0.01001 0.00085 86 8D-1 0.00243 -0.00531 -0.00090 0.00422 0.01253 87 8D+2 -0.00043 0.01563 -0.00382 -0.00747 0.00386 88 8D-2 0.00571 -0.00302 -0.01542 -0.00523 -0.00488 89 5 Cu 1S 0.00812 -0.00038 0.00089 0.00016 0.00028 90 2S 0.08687 0.00605 -0.06128 0.04821 0.17841 91 3S 0.31947 0.22858 -0.56106 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0.00006 0.00428 -0.00008 -0.00006 0.00000 112 2S 0.00131 0.21156 0.08715 0.00098 0.00024 113 3S 0.00021 1.95374 2.11826 0.00599 0.00127 114 4PX 0.00048 0.00714 0.01145 0.00031 0.00037 115 4PY 0.00022 -0.01178 -0.01811 -0.00077 0.00000 116 4PZ 0.00004 -0.00118 -0.01776 -0.00014 0.00000 117 5PX -0.00210 -0.06631 -0.10239 -0.00073 0.00019 118 5PY -0.00050 0.10965 0.16119 0.00188 -0.00016 119 5PZ -0.00030 -0.01346 0.15632 0.00100 0.00075 120 6PX 0.00027 -0.61617 0.08771 0.01320 -0.07310 121 6PY -0.00386 1.00580 -0.14451 0.02229 -0.03786 122 6PZ -0.00643 0.19423 0.08797 -0.06170 -0.02061 123 7D 0 0.00428 -0.03405 0.00445 -0.02348 -0.00822 124 7D+1 0.02442 -0.01124 0.02701 -0.00067 -0.03247 125 7D-1 0.01235 0.01853 -0.04304 0.02100 -0.01287 126 7D+2 0.01331 -0.02401 0.01772 0.01679 -0.01655 127 7D-2 -0.01239 -0.04711 0.03673 0.01883 0.01758 128 8D 0 0.00175 -0.00831 0.00060 -0.00909 -0.00306 129 8D+1 0.01003 -0.01000 0.00736 -0.00044 -0.01246 130 8D-1 0.00487 0.01588 -0.01175 0.00864 -0.00484 131 8D+2 0.00579 -0.00962 0.00461 0.00706 -0.00673 132 8D-2 -0.00516 -0.01950 0.00951 0.00782 0.00704 133 7 Cu 1S 0.00010 0.00491 -0.00443 -0.00002 -0.00001 134 2S 0.00090 -0.13850 0.08420 -0.00810 -0.00202 135 3S 0.00723 -1.25750 2.05545 -0.08685 -0.02421 136 4PX 0.00066 0.01119 -0.02211 -0.00056 -0.00029 137 4PY -0.00028 -0.01813 0.03504 0.00112 0.00016 138 4PZ -0.00017 -0.00700 0.02962 -0.00033 -0.00011 139 5PX 0.00026 -0.11943 0.16065 0.00010 -0.00319 140 5PY 0.00312 0.19174 -0.25481 0.00159 -0.00118 141 5PZ 0.00151 0.09254 -0.20501 0.00044 0.00023 142 6PX -0.00856 -0.43745 0.26590 -0.00013 0.01790 143 6PY 0.00688 0.69421 -0.42422 -0.00538 0.00586 144 6PZ 0.00568 0.60558 -0.38958 0.02747 0.01201 145 7D 0 0.00434 0.01134 -0.00351 -0.02760 -0.00897 146 7D+1 0.02700 0.02269 0.00831 -0.00170 -0.03737 147 7D-1 0.01161 -0.03658 -0.01299 0.02779 -0.01418 148 7D+2 0.01890 0.01699 0.00376 0.02430 -0.02258 149 7D-2 -0.01481 0.03509 0.00795 0.02704 0.02328 150 8D 0 0.00194 0.00408 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-0.00322 0.00958 0.00189 -0.00112 0.00551 171 5PY -0.00132 -0.01906 -0.00286 -0.00198 0.00305 172 5PZ -0.00067 0.06597 -0.00486 0.00728 0.00195 91 92 93 94 95 V V V V V EIGENVALUES -- 0.04724 0.04735 0.04844 0.05344 0.05404 1 1 Cu 1S 0.00045 -0.00044 -0.00142 0.00113 -0.00136 2 2S -0.00519 0.00732 -0.01688 -0.04793 0.04071 3 3S -0.10079 0.22623 -0.42667 -1.25856 1.04981 4 4PX 0.00384 -0.01496 0.00391 -0.01626 0.00275 5 4PY -0.01120 0.02167 0.01616 -0.02690 0.02617 6 4PZ -0.00428 0.01966 -0.00710 0.01717 -0.01713 7 5PX -0.01385 0.09971 -0.04351 0.07935 0.05406 8 5PY 0.05786 -0.09697 -0.11040 0.12793 -0.11721 9 5PZ 0.03792 -0.12342 0.05830 -0.00322 0.08232 10 6PX -0.32064 0.87430 0.28224 -0.21200 -0.70674 11 6PY 0.49237 -1.34918 -0.57965 -0.49220 0.36871 12 6PZ 0.45426 -1.28959 -0.25874 -0.51527 -0.10021 13 7D 0 -0.03661 0.01729 0.01865 0.01585 -0.00240 14 7D+1 -0.00270 -0.02165 -0.01712 0.01168 -0.00310 15 7D-1 -0.01472 -0.00761 -0.01007 -0.02360 0.01039 16 7D+2 0.00432 0.03257 0.03163 0.01712 -0.02127 17 7D-2 -0.02236 -0.00401 0.00509 0.00392 -0.02756 18 8D 0 -0.00553 0.00191 0.00424 -0.00031 -0.00251 19 8D+1 -0.00109 -0.00231 -0.00072 0.00225 -0.00101 20 8D-1 -0.00068 -0.00184 -0.00382 -0.00181 0.00039 21 8D+2 0.00006 0.00467 0.00776 0.00216 -0.00186 22 8D-2 -0.00279 0.00045 0.00259 0.00009 -0.00237 23 2 Cu 1S -0.00002 0.00008 -0.00158 -0.00030 -0.00190 24 2S 0.01883 0.00018 -0.04247 0.03027 0.06450 25 3S 0.34547 -0.03894 -0.80503 0.59726 1.51781 26 4PX -0.01226 0.01055 0.00194 0.01182 0.03306 27 4PY 0.01867 -0.01303 0.00819 0.01386 0.01544 28 4PZ 0.01509 -0.01065 0.00858 0.00543 0.02286 29 5PX 0.09639 -0.07237 -0.05965 -0.05266 -0.10434 30 5PY -0.09349 0.07699 -0.05065 -0.10129 -0.05979 31 5PZ -0.07243 0.04909 -0.07132 0.03163 -0.12862 32 6PX 0.82915 -0.58751 0.09277 0.01640 -0.06025 33 6PY -1.03473 0.92389 -0.67260 0.54633 0.11263 34 6PZ -0.97963 0.75285 -0.47998 -0.40250 0.51844 35 7D 0 0.00600 0.03569 -0.00879 -0.01050 0.01198 36 7D+1 -0.02316 -0.00374 -0.00739 -0.01671 -0.00379 37 7D-1 -0.00859 0.01812 -0.03183 0.01714 0.03665 38 7D+2 0.02830 -0.00047 0.02952 -0.01369 -0.01632 39 7D-2 -0.00707 0.02267 -0.01217 0.00327 -0.01514 40 8D 0 0.00040 0.00439 -0.00159 -0.00110 0.00146 41 8D+1 -0.00234 -0.00095 -0.00122 0.00099 0.00054 42 8D-1 -0.00155 0.00316 -0.00877 0.00155 0.00346 43 8D+2 0.00364 -0.00094 0.00490 -0.00225 -0.00068 44 8D-2 0.00001 0.00326 -0.00121 0.00048 0.00078 45 3 Cu 1S 0.00029 0.00005 -0.00148 -0.00113 0.00021 46 2S -0.00327 0.00314 -0.05005 0.07579 -0.00756 47 3S -0.06802 0.05204 -0.93934 1.58441 -0.16986 48 4PX 0.01507 -0.00053 -0.00026 0.00187 -0.00679 49 4PY -0.02434 -0.00006 0.00014 -0.01460 -0.00155 50 4PZ -0.01778 0.00041 0.00271 0.04298 -0.00518 51 5PX -0.08979 -0.00341 -0.01391 0.01066 0.09693 52 5PY 0.14867 -0.00437 0.03651 0.04093 0.04704 53 5PZ 0.08588 -0.00045 -0.06092 -0.17216 0.03003 54 6PX -0.96361 -0.02113 0.04496 -0.10111 -0.67716 55 6PY 1.54315 -0.02437 0.01685 -0.00456 -0.36852 56 6PZ 1.25693 0.00738 -0.34261 0.18808 -0.11214 57 7D 0 0.04376 0.00527 -0.02605 0.01252 -0.00548 58 7D+1 -0.01539 0.01709 0.01855 -0.02516 -0.01611 59 7D-1 0.01656 0.01484 -0.02086 0.03292 -0.01214 60 7D+2 0.01194 -0.03099 -0.00093 -0.00894 -0.00382 61 7D-2 0.01378 0.01794 0.00571 -0.01988 0.00730 62 8D 0 0.00676 0.00071 -0.00646 0.00317 -0.00060 63 8D+1 -0.00312 0.00138 0.00426 -0.00155 -0.00110 64 8D-1 0.00363 0.00154 -0.00455 0.00104 -0.00099 65 8D+2 0.00126 -0.00390 0.00101 -0.00038 0.00196 66 8D-2 0.00103 0.00238 0.00285 -0.00117 -0.00107 67 4 Cu 1S -0.00006 0.00003 -0.00159 -0.00005 0.00205 68 2S 0.01863 0.00236 -0.03952 0.01630 -0.06724 69 3S 0.34851 0.08800 -0.75644 0.28102 -1.60579 70 4PX -0.01158 -0.00611 -0.01115 -0.01148 0.03790 71 4PY 0.01925 0.01463 0.00240 0.00187 0.02132 72 4PZ 0.01533 0.01036 0.00817 -0.00109 -0.01433 73 5PX 0.03760 0.02632 0.09489 0.07815 -0.15024 74 5PY -0.12574 -0.09772 0.02454 -0.02853 -0.05899 75 5PZ -0.08008 -0.04709 -0.05929 0.06887 0.08783 76 6PX 0.58326 0.51407 0.63801 -0.35632 0.26092 77 6PY -1.18486 -0.86905 -0.50338 0.33721 -0.17774 78 6PZ -1.02268 -0.71273 -0.49133 -0.51626 -0.43369 79 7D 0 0.01412 -0.03253 -0.00359 -0.00790 -0.00373 80 7D+1 0.01577 0.01581 0.03020 0.00485 0.03383 81 7D-1 0.01841 -0.00642 -0.00321 0.01722 -0.02182 82 7D+2 -0.01900 -0.02211 -0.03138 0.01155 -0.00295 83 7D-2 0.01876 -0.01003 0.02033 -0.01089 0.02389 84 8D 0 0.00139 -0.00405 -0.00005 -0.00155 -0.00021 85 8D+1 0.00235 0.00193 0.00798 -0.00070 0.00358 86 8D-1 0.00166 -0.00143 -0.00252 -0.00051 -0.00108 87 8D+2 -0.00167 -0.00348 -0.00514 0.00151 -0.00182 88 8D-2 0.00288 -0.00067 0.00392 -0.00173 0.00074 89 5 Cu 1S 0.00045 0.00060 -0.00138 0.00128 0.00103 90 2S -0.00425 -0.00612 -0.01337 -0.05521 -0.03016 91 3S -0.09134 -0.20981 -0.38486 -1.44217 -0.78592 92 4PX 0.00793 0.01473 -0.01350 0.03083 0.01343 93 4PY -0.00931 -0.02314 0.00482 -0.00582 -0.01262 94 4PZ -0.00423 -0.01888 -0.01169 0.02632 0.01594 95 5PX -0.04752 -0.05817 0.09822 -0.15367 -0.01925 96 5PY 0.04149 0.12791 -0.02309 0.02824 0.11406 97 5PZ 0.03652 0.12399 0.08948 -0.04728 -0.07539 98 6PX -0.32672 -0.87471 0.29925 0.60226 -0.22197 99 6PY 0.51396 1.38729 -0.41650 -0.23308 -0.78393 100 6PZ 0.46737 1.29137 -0.16958 -0.43581 0.09123 101 7D 0 -0.03192 -0.02610 0.02380 0.01614 0.00068 102 7D+1 0.01962 -0.01228 0.01104 0.01099 0.00909 103 7D-1 0.00104 -0.01795 0.01012 -0.02198 -0.00005 104 7D+2 -0.02552 0.01768 -0.00765 -0.00406 0.01650 105 7D-2 -0.00574 -0.02637 0.02527 0.02624 0.02514 106 8D 0 -0.00488 -0.00328 0.00491 -0.00036 0.00195 107 8D+1 0.00222 -0.00239 0.00263 0.00042 -0.00070 108 8D-1 0.00142 -0.00145 -0.00086 -0.00253 -0.00090 109 8D+2 -0.00280 0.00172 -0.00095 -0.00073 0.00179 110 8D-2 -0.00136 -0.00463 0.00778 0.00312 0.00214 111 6 Cu 1S -0.00051 -0.00013 0.00169 -0.00270 0.00000 112 2S 0.00257 0.00076 -0.00946 -0.01612 -0.00007 113 3S -0.05498 -0.01369 0.75601 0.26471 -0.00343 114 4PX 0.00123 0.00002 -0.00667 -0.00104 -0.01613 115 4PY -0.00116 -0.00066 0.00989 0.00292 -0.00980 116 4PZ -0.00407 -0.00101 0.02332 -0.02591 -0.00044 117 5PX -0.01478 -0.00754 0.09380 0.04665 0.12570 118 5PY 0.01942 0.00433 -0.14466 -0.08542 0.07643 119 5PZ 0.03086 0.00735 -0.20542 0.17850 0.00326 120 6PX 0.16469 0.11768 -1.19076 0.19657 1.41930 121 6PY -0.31297 -0.03366 1.90680 -0.39286 0.85736 122 6PZ -0.04288 -0.01763 1.15069 1.63515 0.03693 123 7D 0 0.03060 0.00729 -0.00186 -0.01509 -0.00037 124 7D+1 0.00318 0.03801 0.00531 0.00349 -0.00923 125 7D-1 -0.02587 0.01715 -0.00814 -0.00527 -0.00633 126 7D+2 -0.02213 0.02344 -0.00362 -0.00669 0.02244 127 7D-2 -0.02826 -0.02072 -0.00716 -0.01255 -0.01134 128 8D 0 0.00469 0.00109 -0.00147 -0.00350 -0.00005 129 8D+1 0.00093 0.00539 -0.00467 -0.00144 -0.00127 130 8D-1 -0.00446 0.00219 0.00747 0.00230 -0.00089 131 8D+2 -0.00258 0.00297 -0.00375 -0.00285 0.00308 132 8D-2 -0.00298 -0.00236 -0.00777 -0.00565 -0.00154 133 7 Cu 1S -0.00026 -0.00007 0.00231 0.00182 -0.00001 134 2S -0.03039 -0.00831 0.19448 0.00091 -0.00019 135 3S -0.31547 -0.08588 2.01741 -0.00469 -0.00142 136 4PX -0.00342 -0.00340 0.02042 -0.01413 -0.04508 137 4PY 0.00674 0.00032 -0.03291 0.02502 -0.02732 138 4PZ -0.00015 0.00003 -0.01936 -0.04072 -0.00117 139 5PX 0.00909 0.01626 -0.05348 0.08044 0.26419 140 5PY -0.02267 0.00235 0.08885 -0.14312 0.16011 141 5PZ 0.01562 0.00357 0.01334 0.24476 0.00689 142 6PX 0.02520 0.05496 -0.16693 0.47701 2.17042 143 6PY -0.06372 0.00802 0.28690 -0.88449 1.31994 144 6PZ 0.09097 0.02436 -0.05193 2.26465 0.05849 145 7D 0 -0.02790 -0.00749 -0.00107 -0.00894 -0.00032 146 7D+1 -0.00345 -0.03754 -0.00101 0.00992 -0.00502 147 7D-1 0.02383 -0.01659 0.00126 -0.01544 -0.00324 148 7D+2 0.01953 -0.02300 0.00499 0.00035 0.00890 149 7D-2 0.02499 0.02029 0.01042 0.00147 -0.00435 150 8D 0 -0.00423 -0.00114 -0.00023 -0.00255 -0.00013 151 8D+1 -0.00031 -0.00552 -0.00104 0.00168 -0.00190 152 8D-1 0.00317 -0.00252 0.00162 -0.00256 -0.00118 153 8D+2 0.00270 -0.00320 0.00050 -0.00004 0.00190 154 8D-2 0.00356 0.00289 0.00098 0.00007 -0.00089 155 8 C 1S 0.00104 0.00027 -0.00451 -0.00806 0.00003 156 2S -0.00517 -0.00139 0.02622 0.02864 -0.00010 157 3S -0.00588 -0.00139 0.05569 0.01433 -0.00044 158 4PX 0.00326 -0.00029 -0.02981 -0.01246 -0.16879 159 4PY -0.00529 -0.00203 0.05020 0.02839 -0.10268 160 4PZ 0.00076 -0.00049 -0.03454 -0.18177 -0.00446 161 5PX -0.00603 0.00267 0.06889 0.00490 -0.16194 162 5PY 0.00892 0.00480 -0.10901 0.00100 -0.09827 163 5PZ 0.01043 0.00267 -0.09332 -0.20210 -0.00411 164 9 O 1S 0.00228 0.00068 -0.02712 0.00967 0.00003 165 2S -0.00646 -0.00195 0.08289 -0.02728 -0.00009 166 3S -0.01175 -0.00356 0.10922 -0.05595 -0.00016 167 4PX -0.00235 0.02152 0.01200 0.00310 0.01046 168 4PY -0.00397 0.01245 -0.01810 -0.00582 0.00642 169 4PZ 0.02149 0.00626 -0.01785 0.01231 0.00033 170 5PX -0.00320 0.00507 0.02874 0.00231 0.05451 171 5PY 0.00348 0.00448 -0.04753 -0.00669 0.03329 172 5PZ 0.00454 0.00172 0.01077 0.06162 0.00140 96 97 98 99 100 V V V V V EIGENVALUES -- 0.06512 0.06527 0.07256 0.07304 0.07977 1 1 Cu 1S -0.00082 0.00102 0.00095 -0.00110 0.00125 2 2S 0.01055 0.00149 -0.01994 0.02256 0.03766 3 3S 0.34455 -0.24897 -0.74481 0.91493 0.90448 4 4PX 0.01726 -0.02582 0.00211 0.03214 -0.00781 5 4PY -0.01508 0.02088 -0.03263 0.03562 -0.01461 6 4PZ -0.03345 0.03233 0.03581 -0.01734 0.01202 7 5PX -0.08153 0.15184 -0.05540 -0.18823 0.03203 8 5PY 0.12284 -0.14447 0.14967 -0.16361 0.07259 9 5PZ 0.20669 -0.16830 -0.19442 0.04807 -0.06892 10 6PX 0.65086 -0.79447 -1.26827 -1.67042 1.72701 11 6PY -1.03742 1.16533 -0.46874 0.18669 -1.25895 12 6PZ -1.04037 1.06046 -1.28535 -0.75549 2.13338 13 7D 0 0.04479 -0.00602 -0.00130 -0.00483 -0.02857 14 7D+1 -0.00948 0.02534 -0.01275 0.01091 0.00307 15 7D-1 0.01427 0.01273 0.00578 0.00121 0.02808 16 7D+2 0.00793 -0.03708 -0.00300 0.00749 0.02738 17 7D-2 0.01219 0.00801 0.00443 0.00610 0.02675 18 8D 0 0.00987 -0.00107 -0.00170 -0.00196 -0.00465 19 8D+1 -0.00156 0.00696 -0.00094 -0.00096 0.00090 20 8D-1 0.00342 0.00392 0.00290 0.00078 0.00440 21 8D+2 0.00095 -0.00899 0.00140 0.00031 0.00417 22 8D-2 0.00496 0.00307 0.00205 0.00256 0.00400 23 2 Cu 1S -0.00108 0.00029 0.00162 0.00075 0.00176 24 2S 0.01938 0.01260 -0.02424 -0.01070 0.05094 25 3S 0.54000 0.12895 -0.99128 -0.42175 1.23168 26 4PX 0.04132 0.01039 -0.05118 -0.02572 -0.02731 27 4PY -0.03331 -0.01016 -0.01062 -0.02540 -0.00899 28 4PZ -0.02225 -0.01306 -0.03051 0.00894 -0.00919 29 5PX -0.22122 -0.07619 0.23063 0.12552 0.14069 30 5PY 0.24192 0.07320 0.03408 0.16646 0.04403 31 5PZ 0.15982 0.11373 0.16568 -0.09170 0.05068 32 6PX 1.10410 0.50078 0.18050 0.30573 -1.67040 33 6PY -1.53386 -0.77183 -1.26138 1.52537 0.06273 34 6PZ -1.26623 -0.71038 0.36055 -1.86856 -2.14400 35 7D 0 -0.02798 0.01892 -0.00802 0.00212 0.00048 36 7D+1 -0.01515 -0.03171 -0.00468 0.00459 -0.02715 37 7D-1 -0.01440 0.00100 0.01264 0.00821 -0.02030 38 7D+2 0.01770 0.02947 0.00516 0.00347 -0.02147 39 7D-2 -0.03676 -0.00549 -0.00342 -0.00709 0.01119 40 8D 0 -0.00706 0.00689 -0.00082 0.00238 0.00033 41 8D+1 -0.00167 -0.00575 -0.00252 0.00197 -0.00396 42 8D-1 -0.00399 0.00028 0.00013 0.00065 -0.00294 43 8D+2 0.00357 0.00679 -0.00139 -0.00040 -0.00368 44 8D-2 -0.00623 0.00071 0.00015 -0.00354 0.00188 45 3 Cu 1S 0.00010 0.00004 -0.00021 0.00202 -0.00016 46 2S -0.00260 0.02414 0.00257 -0.02510 -0.00475 47 3S -0.06693 0.41833 0.11209 -1.07292 -0.11762 48 4PX -0.00818 0.02535 0.02541 -0.00963 0.00169 49 4PY 0.00273 -0.04318 0.00912 0.03661 -0.00109 50 4PZ 0.00098 -0.02297 0.00877 -0.05196 0.00240 51 5PX 0.07844 -0.17065 -0.18154 0.03518 -0.02341 52 5PY -0.00133 0.28618 -0.07702 -0.17023 -0.00189 53 5PZ -0.00895 0.19430 -0.04900 0.24044 -0.01436 54 6PX -0.20196 1.17395 -2.27815 -0.01436 3.21439 55 6PY 0.13980 -1.88552 -1.12756 -0.53235 1.59727 56 6PZ 0.12751 -1.54112 -0.20995 -0.30262 0.57635 57 7D 0 0.00783 -0.04707 0.00166 0.00701 0.01137 58 7D+1 0.01282 0.00786 0.01006 -0.00423 0.04845 59 7D-1 0.01239 0.00067 0.00435 0.00286 0.01957 60 7D+2 -0.03315 -0.02270 0.00397 -0.00955 0.02773 61 7D-2 0.02410 -0.02578 -0.00184 -0.01593 -0.02823 62 8D 0 0.00205 -0.00767 0.00093 -0.00034 0.00169 63 8D+1 0.00496 0.00241 0.00420 -0.00095 0.00737 64 8D-1 0.00418 -0.00109 0.00167 0.00274 0.00295 65 8D+2 -0.00816 -0.00368 0.00191 0.00030 0.00424 66 8D-2 0.00534 -0.00328 -0.00189 -0.00067 -0.00432 67 4 Cu 1S 0.00118 0.00040 -0.00169 0.00035 -0.00186 68 2S -0.01954 0.00992 0.02666 -0.00505 -0.05424 69 3S -0.55880 0.05404 1.07034 -0.18009 -1.31116 70 4PX -0.00875 0.00198 -0.04838 0.02360 -0.02517 71 4PY 0.05301 -0.00370 -0.03920 -0.00305 -0.01904 72 4PZ 0.02893 -0.00796 0.01571 0.01939 0.00316 73 5PX 0.10521 -0.01231 0.21945 -0.14633 0.12922 74 5PY -0.31425 0.03645 0.18158 0.04182 0.09918 75 5PZ -0.19606 0.07898 -0.08717 -0.14847 -0.01722 76 6PX -0.93480 0.28945 -0.65212 -1.20319 -1.64054 77 6PY 1.73633 -0.43193 0.72631 0.95313 -1.43144 78 6PZ 1.38316 -0.42438 -0.00100 -2.11676 1.35904 79 7D 0 0.01389 0.03103 0.00769 0.00093 -0.01551 80 7D+1 -0.02223 0.00396 0.00772 -0.00859 -0.02633 81 7D-1 -0.01782 0.02561 -0.01310 -0.00135 0.00177 82 7D+2 0.04462 -0.00704 0.00444 -0.00529 -0.00637 83 7D-2 -0.00404 0.01809 -0.00255 0.00080 0.02163 84 8D 0 0.00387 0.00927 -0.00033 0.00139 -0.00254 85 8D+1 -0.00515 -0.00022 -0.00081 -0.00309 -0.00376 86 8D-1 -0.00215 0.00462 -0.00144 -0.00196 0.00049 87 8D+2 0.00831 -0.00007 0.00014 -0.00295 -0.00134 88 8D-2 -0.00186 0.00522 0.00180 -0.00080 0.00362 89 5 Cu 1S 0.00059 0.00107 -0.00069 -0.00127 -0.00098 90 2S -0.00777 0.00099 0.01477 0.02635 -0.02946 91 3S -0.25291 -0.26852 0.54935 1.05827 -0.70775 92 4PX -0.00785 -0.01098 -0.00882 -0.04631 -0.01133 93 4PY 0.01320 0.03321 0.02371 0.00070 0.00195 94 4PZ 0.02664 0.03935 -0.03142 -0.03403 -0.01125 95 5PX 0.08156 0.08193 0.00383 0.23298 0.04996 96 5PY -0.07233 -0.20997 -0.15523 0.02374 -0.01663 97 5PZ -0.16257 -0.20999 0.16963 0.13903 0.06341 98 6PX -0.52682 -0.85091 -1.43194 0.60526 0.78400 99 6PY 0.75180 1.40223 -1.22046 1.25657 2.48020 100 6PZ 0.79225 1.25775 1.02811 -0.23172 -1.83433 101 7D 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-0.03887 -0.01941 6 4PZ 0.01713 0.04385 0.03002 -0.01345 -0.00643 7 5PX 0.05839 -0.19717 -0.43608 -0.18289 -0.11319 8 5PY 0.09417 0.09412 -0.12663 0.32451 0.12288 9 5PZ -0.08277 -0.26687 -0.21854 0.11139 0.06039 10 6PX -2.37478 0.04157 1.07880 0.07788 -1.33908 11 6PY -1.63331 -0.90496 0.62945 0.41655 1.95983 12 6PZ -0.34284 1.08481 0.02661 0.31902 1.88656 13 7D 0 0.02420 -0.00800 -0.01646 0.00760 0.00710 14 7D+1 0.03094 -0.03989 0.01749 -0.03064 -0.00246 15 7D-1 -0.00531 0.00132 0.00892 0.03029 0.01021 16 7D+2 0.00408 -0.02284 0.02194 0.01477 -0.00398 17 7D-2 -0.03191 0.00944 0.01887 -0.02548 0.00915 18 8D 0 0.00353 -0.00218 -0.00480 0.00089 0.00554 19 8D+1 0.00511 -0.01204 0.00506 -0.00442 -0.00142 20 8D-1 -0.00082 0.00212 0.00239 0.00328 0.00151 21 8D+2 0.00061 -0.00671 0.00647 0.00318 0.00191 22 8D-2 -0.00481 0.00171 0.00598 -0.00380 0.00213 23 2 Cu 1S -0.00088 0.00148 -0.00388 0.00440 0.00187 24 2S -0.02342 0.02986 -0.07573 0.05409 0.01138 25 3S -0.54997 0.53451 -1.28259 0.44243 0.03077 26 4PX 0.01225 0.01774 -0.02642 -0.01389 0.00300 27 4PY 0.00559 0.05777 0.01501 -0.01578 -0.02075 28 4PZ 0.00248 -0.05405 -0.03329 -0.01901 -0.02186 29 5PX -0.06550 -0.09867 0.13444 0.09267 -0.05921 30 5PY -0.04254 -0.38797 -0.12047 0.14936 0.13704 31 5PZ 0.00278 0.36978 0.20320 0.15621 0.15643 32 6PX 1.01979 0.51176 -1.26348 0.47158 -2.03089 33 6PY 2.48886 0.87887 -0.06242 -0.86330 2.86075 34 6PZ -1.91680 -0.53257 -0.66252 -0.55333 2.43165 35 7D 0 -0.03194 -0.00464 -0.01787 -0.01927 -0.00970 36 7D+1 -0.03505 -0.01927 0.00281 -0.01967 -0.00156 37 7D-1 0.01151 -0.01667 0.03953 0.02153 0.00308 38 7D+2 0.00229 -0.01138 0.02030 -0.00454 -0.00082 39 7D-2 0.04079 0.01859 0.00640 -0.03541 -0.00442 40 8D 0 -0.00496 -0.00183 -0.00510 -0.00382 -0.00409 41 8D+1 -0.00527 -0.00555 -0.00088 -0.00174 -0.00227 42 8D-1 0.00176 -0.00520 0.01238 0.00568 -0.00267 43 8D+2 0.00067 -0.00265 0.00501 -0.00205 0.00310 44 8D-2 0.00632 0.00564 0.00037 -0.00356 -0.00474 45 3 Cu 1S -0.00224 0.00084 0.00323 0.00580 -0.00022 46 2S -0.05465 0.01772 0.06907 0.06646 -0.00128 47 3S -1.28868 0.32828 1.28637 0.54019 -0.00467 48 4PX 0.00741 -0.07173 0.02570 -0.00373 0.00565 49 4PY -0.02151 -0.04390 -0.01026 0.01162 0.00501 50 4PZ 0.02859 -0.00172 0.03087 -0.01673 0.00339 51 5PX -0.03726 0.48882 -0.16075 0.01685 -0.06216 52 5PY 0.11366 0.28835 0.03608 -0.07463 -0.05028 53 5PZ -0.14572 0.02137 -0.16984 0.15535 -0.02458 54 6PX 0.08671 -0.80676 0.40859 0.88814 0.27617 55 6PY -1.27899 -0.61717 -0.55975 -1.43743 -0.27928 56 6PZ 2.10195 0.19486 1.21436 -0.91104 -0.24530 57 7D 0 0.01680 -0.01005 -0.02324 -0.01698 0.00327 58 7D+1 -0.00244 -0.01730 0.01284 -0.01222 0.01391 59 7D-1 -0.01782 -0.00699 0.00742 0.02170 0.00850 60 7D+2 -0.01742 -0.00500 0.02903 -0.01177 -0.00905 61 7D-2 -0.01643 0.02026 0.03610 -0.02473 0.00484 62 8D 0 0.00242 -0.00311 -0.00719 0.00146 0.00115 63 8D+1 -0.00009 -0.00511 0.00463 -0.00301 0.00197 64 8D-1 -0.00320 -0.00253 0.00070 0.00382 0.00169 65 8D+2 -0.00274 -0.00190 0.00811 -0.00112 -0.00324 66 8D-2 -0.00250 0.00605 0.01007 -0.00303 0.00235 67 4 Cu 1S -0.00051 -0.00310 -0.00268 0.00414 -0.00200 68 2S -0.01423 -0.06194 -0.05270 0.05431 -0.01280 69 3S -0.33887 -1.07618 -0.88094 0.49412 -0.03336 70 4PX -0.00673 0.04544 -0.01525 0.02519 -0.02133 71 4PY -0.00331 -0.00480 0.04119 0.00006 0.01342 72 4PZ -0.00082 0.04070 -0.05445 -0.01703 0.02051 73 5PX 0.04482 -0.27363 0.13465 -0.21198 0.12293 74 5PY 0.00988 0.05954 -0.26340 0.02443 -0.12597 75 5PZ 0.02125 -0.28039 0.35744 0.14055 -0.15108 76 6PX -1.97575 1.20937 0.33773 0.45446 1.76526 77 6PY 1.04116 0.38012 0.98331 -0.66592 -3.24239 78 6PZ -2.54152 0.41694 -0.74144 -0.40034 -2.63799 79 7D 0 -0.01729 -0.01519 -0.01831 -0.01694 0.00654 80 7D+1 0.03150 -0.03639 -0.00889 -0.00791 0.00081 81 7D-1 0.03910 0.00953 0.02557 0.03085 -0.00561 82 7D+2 0.03894 -0.01226 0.01392 -0.02780 0.00426 83 7D-2 0.00468 0.01578 0.01417 -0.02316 0.00144 84 8D 0 -0.00272 -0.00389 -0.00520 -0.00424 0.00215 85 8D+1 0.00479 -0.01109 -0.00262 -0.00265 -0.00380 86 8D-1 0.00600 0.00362 0.00897 0.00478 -0.00222 87 8D+2 0.00596 -0.00390 0.00317 -0.00185 0.00636 88 8D-2 0.00100 0.00320 0.00291 -0.00385 -0.00121 89 5 Cu 1S 0.00189 0.00358 -0.00017 0.00309 -0.00118 90 2S 0.04925 0.07505 -0.00261 0.06242 -0.01034 91 3S 1.11192 1.32189 -0.01277 0.88829 -0.04232 92 4PX 0.01974 -0.02200 -0.05565 0.02234 -0.00674 93 4PY -0.00521 0.01154 -0.05732 -0.04128 0.01682 94 4PZ 0.02295 -0.02799 0.03249 -0.01603 0.00420 95 5PX -0.10376 0.11082 0.37461 -0.19351 0.02215 96 5PY 0.01835 -0.06763 0.38060 0.33085 -0.13877 97 5PZ -0.11590 0.14900 -0.22126 0.12844 -0.04426 98 6PX 2.58772 -0.98229 -0.71091 -0.47769 0.93335 99 6PY 0.63439 0.31832 -0.77941 0.27167 -1.53179 100 6PZ 0.59338 -1.12844 0.31545 0.33515 -1.44633 101 7D 0 0.00726 -0.01413 -0.01687 0.01265 -0.00562 102 7D+1 -0.02638 -0.02298 0.00560 -0.01752 0.00827 103 7D-1 -0.02498 -0.02565 0.01174 0.04336 -0.00467 104 7D+2 -0.02649 -0.00887 0.01707 -0.02133 -0.01440 105 7D-2 0.00529 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125 7D-1 -0.01082 0.00659 -0.00946 -0.06536 -0.00071 126 7D+2 -0.01055 0.00850 -0.01722 0.03553 -0.00570 127 7D-2 -0.01857 -0.01611 -0.01794 0.07325 0.00309 128 8D 0 -0.00695 0.00270 0.00455 0.00797 -0.00006 129 8D+1 0.00123 0.00721 -0.00229 0.01383 0.00008 130 8D-1 -0.00165 0.00231 -0.00393 -0.02249 0.00017 131 8D+2 -0.00251 0.00320 -0.00624 0.01076 -0.00121 132 8D-2 -0.00452 -0.00589 -0.00619 0.02242 0.00066 133 7 Cu 1S 0.00003 -0.00004 -0.00016 0.00149 -0.00001 134 2S 0.00438 0.00247 0.01079 -0.10802 0.00008 135 3S 0.04850 0.04326 0.18502 -1.86445 0.00292 136 4PX -0.00974 0.00235 0.00375 -0.03959 0.02391 137 4PY 0.01799 -0.00103 -0.00691 0.06345 0.01439 138 4PZ -0.02778 -0.00031 -0.00290 0.03822 0.00066 139 5PX 0.06611 -0.01359 -0.01823 0.19170 -0.21692 140 5PY -0.12185 0.00416 0.03399 -0.31017 -0.13090 141 5PZ 0.18464 0.00005 0.01018 -0.14507 -0.00622 142 6PX 0.42915 0.10155 0.18829 -1.94847 7.51313 143 6PY -0.80611 -0.04324 -0.28725 3.29781 4.54540 144 6PZ 1.30460 0.02755 0.05694 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-0.00519 -0.00002 -0.00019 0.00906 -0.00005 165 2S 0.01599 -0.00032 -0.00022 -0.02625 0.00015 166 3S 0.02197 0.00269 0.00813 -0.06407 0.00027 167 4PX 0.00296 -0.00345 -0.00110 0.02377 0.05424 168 4PY -0.00733 0.00019 0.00832 -0.03525 0.03295 169 4PZ 0.02469 -0.00130 -0.00248 -0.06519 0.00160 170 5PX 0.00433 0.00081 -0.00373 0.03084 -0.00264 171 5PY -0.00837 0.00281 0.00665 -0.04827 -0.00165 172 5PZ 0.01284 0.00057 0.00034 -0.04653 -0.00004 106 107 108 109 110 V V V V V EIGENVALUES -- 0.09801 0.11133 0.14735 0.14806 0.17600 1 1 Cu 1S -0.00032 -0.00002 0.00030 0.00020 -0.00337 2 2S 0.01432 -0.00017 0.00249 0.00070 -0.03599 3 3S 0.26164 -0.01046 0.00420 0.11840 -0.59870 4 4PX 0.00214 0.00325 -0.01501 -0.04401 -0.00229 5 4PY 0.00556 -0.00003 0.02267 0.06767 -0.03004 6 4PZ 0.00617 0.00204 0.02168 0.06244 -0.03916 7 5PX -0.02510 0.02772 0.15841 0.48486 0.08521 8 5PY -0.00368 0.00341 -0.23926 -0.70892 0.38123 9 5PZ -0.06866 0.01939 -0.23542 -0.68001 0.47536 10 6PX 1.68745 -12.41300 -0.27940 -0.78388 -0.65555 11 6PY -2.34762 -0.66190 0.41333 1.25972 -0.20221 12 6PZ -2.18094 -8.29722 0.37595 1.08246 -0.11893 13 7D 0 0.00860 0.01117 0.04079 0.02041 -0.01413 14 7D+1 -0.00508 0.00587 0.00428 -0.02799 -0.01505 15 7D-1 0.01663 -0.00773 0.02037 -0.00990 -0.01755 16 7D+2 0.00146 -0.00539 -0.00992 0.04009 -0.02116 17 7D-2 0.00092 -0.01251 0.02930 -0.00490 0.02492 18 8D 0 -0.00087 -0.00210 0.00683 0.00727 -0.00281 19 8D+1 0.00263 -0.00106 -0.00085 -0.00735 -0.01370 20 8D-1 0.00178 0.00140 0.00227 -0.00125 -0.00169 21 8D+2 -0.00464 0.00095 0.00035 0.00970 -0.00727 22 8D-2 0.00020 0.00233 0.00375 0.00001 0.00637 23 2 Cu 1S 0.00245 -0.00001 0.00019 0.00049 -0.00890 24 2S 0.02778 -0.00142 0.00021 0.00295 -0.05984 25 3S 0.13983 -0.05334 -0.11037 -0.02937 -0.19941 26 4PX -0.00008 -0.00065 0.03834 0.02580 0.03512 27 4PY -0.02366 -0.00245 -0.05725 -0.04230 -0.01069 28 4PZ -0.01323 0.00261 -0.05176 -0.03609 -0.05274 29 5PX -0.02175 -0.00022 -0.42579 -0.27410 -0.32376 30 5PY 0.20698 -0.02402 0.61278 0.44829 0.09365 31 5PZ 0.08948 0.02571 0.54509 0.37368 0.70473 32 6PX -0.68107 1.21995 0.64626 0.42523 0.31372 33 6PY 0.89778 10.06944 -1.02589 -0.66693 0.33517 34 6PZ 0.96728 -10.85868 -0.92722 -0.62792 -0.82725 35 7D 0 0.00719 -0.00869 -0.00832 0.04296 0.02440 36 7D+1 -0.01377 -0.01236 0.02741 -0.00583 0.03978 37 7D-1 0.00912 0.00098 0.01425 0.01908 -0.03612 38 7D+2 0.01166 -0.00169 -0.03983 0.00584 -0.00272 39 7D-2 -0.01576 0.01242 0.01299 0.02550 0.02512 40 8D 0 0.00089 0.00156 0.00136 0.00589 0.00413 41 8D+1 -0.00387 0.00235 0.00583 0.00027 0.00793 42 8D-1 0.00067 -0.00013 0.00394 0.00470 -0.00290 43 8D+2 0.00411 0.00041 -0.00849 -0.00113 0.00287 44 8D-2 -0.00111 -0.00237 0.00502 0.00448 -0.00344 45 3 Cu 1S 0.00381 0.00001 -0.00017 -0.00002 -0.01178 46 2S 0.03144 0.00013 -0.00154 0.00017 -0.07222 47 3S 0.09729 0.00313 0.00514 0.01045 -0.06334 48 4PX 0.01400 -0.00301 -0.04557 0.00223 0.02611 49 4PY -0.01629 -0.00160 0.07264 0.00082 -0.05228 50 4PZ -0.03693 -0.00035 0.06285 -0.00012 -0.02281 51 5PX -0.12259 -0.03181 0.48124 -0.02384 -0.26905 52 5PY 0.15344 -0.01689 -0.76701 -0.01050 0.53912 53 5PZ 0.26303 -0.00383 -0.65835 0.00108 0.36266 54 6PX -1.81243 12.99914 -0.78340 0.06992 0.27290 55 6PY 2.92648 6.88387 1.25037 0.03301 -0.67629 56 6PZ 2.38753 1.54597 1.09262 0.00688 -0.20216 57 7D 0 -0.01019 0.00278 -0.04403 0.00583 0.00338 58 7D+1 -0.00267 0.01414 0.01292 0.02445 0.02534 59 7D-1 0.00716 0.00617 -0.01210 0.01842 -0.02624 60 7D+2 -0.01171 0.00835 -0.01403 -0.03840 0.04286 61 7D-2 -0.01736 -0.00759 -0.01737 0.02221 0.06795 62 8D 0 -0.00617 -0.00055 -0.01090 0.00061 -0.00314 63 8D+1 0.00117 -0.00271 0.00359 0.00256 0.00373 64 8D-1 -0.00076 -0.00118 -0.00354 0.00212 -0.00189 65 8D+2 -0.00378 -0.00160 -0.00301 -0.00477 0.00531 66 8D-2 -0.00470 0.00148 -0.00344 0.00266 0.00747 67 4 Cu 1S 0.00204 0.00002 0.00003 -0.00054 -0.00796 68 2S 0.02642 0.00132 -0.00049 -0.00309 -0.05554 69 3S 0.15752 0.04919 -0.11705 0.05489 -0.24871 70 4PX 0.01818 -0.00186 0.03505 -0.02706 -0.00128 71 4PY -0.01039 0.00116 -0.05913 0.04184 -0.02612 72 4PZ -0.00740 -0.00301 -0.05182 0.03617 -0.05801 73 5PX -0.15277 -0.01502 -0.36470 0.28407 -0.01406 74 5PY 0.11099 0.01564 0.64947 -0.44875 0.21232 75 5PZ 0.04692 -0.02687 0.54981 -0.37497 0.75546 76 6PX -0.20417 6.90080 0.65952 -0.43694 -0.30945 77 6PY 0.37902 -5.76669 -1.03146 0.66939 0.13665 78 6PZ 0.48092 11.83035 -0.92912 0.63683 -0.90354 79 7D 0 0.01088 0.00409 -0.01909 -0.03956 0.01333 80 7D+1 -0.00537 -0.01069 -0.01996 0.02006 -0.00085 81 7D-1 0.01692 -0.01100 -0.02108 -0.00876 -0.05057 82 7D+2 -0.01623 -0.01170 0.02965 -0.02590 0.01441 83 7D-2 0.00182 -0.00010 -0.02707 -0.01399 0.01874 84 8D 0 0.00249 -0.00070 -0.00108 -0.00481 0.00073 85 8D+1 0.00042 0.00201 -0.00543 0.00469 -0.00567 86 8D-1 0.00374 0.00204 -0.00476 -0.00095 -0.00673 87 8D+2 -0.00121 0.00224 0.00887 -0.00582 -0.00514 88 8D-2 0.00228 -0.00006 -0.00496 -0.00076 0.00426 89 5 Cu 1S -0.00065 0.00001 0.00020 -0.00024 -0.00277 90 2S 0.01169 0.00018 0.00195 -0.00125 -0.03360 91 3S 0.26503 0.01271 0.00359 -0.10482 -0.65015 92 4PX -0.00822 0.00203 -0.01383 0.04290 0.02953 93 4PY 0.00399 0.00278 0.02275 -0.06874 -0.01518 94 4PZ 0.00606 -0.00139 0.02087 -0.06307 -0.03136 95 5PX 0.03307 0.02203 0.14731 -0.44226 -0.39079 96 5PY -0.00219 0.02331 -0.23799 0.73506 0.15488 97 5PZ -0.07363 -0.01378 -0.22537 0.68869 0.37206 98 6PX 1.61407 -8.83440 -0.23757 0.80123 0.46733 99 6PY -2.81286 -10.59252 0.42191 -1.25689 0.34267 100 6PZ -2.52718 5.76394 0.35677 -1.09004 0.13683 101 7D 0 0.00594 -0.00943 0.03364 -0.03065 -0.00146 102 7D+1 -0.01175 0.00307 -0.02529 -0.01514 0.03159 103 7D-1 0.01130 0.01168 -0.00185 -0.02142 0.00148 104 7D+2 0.00178 0.01070 0.03569 0.02089 0.02351 105 7D-2 0.00053 0.00771 0.00321 -0.02981 -0.01914 106 8D 0 -0.00299 0.00177 0.00607 -0.00955 0.00323 107 8D+1 -0.00219 -0.00058 -0.00279 -0.00261 0.01065 108 8D-1 -0.00198 -0.00209 0.00058 -0.00569 0.00849 109 8D+2 0.00199 -0.00199 0.00395 0.00373 0.00690 110 8D-2 -0.00401 -0.00138 0.00170 -0.00762 -0.00906 111 6 Cu 1S -0.00154 0.00000 -0.00106 0.00021 0.01028 112 2S -0.07128 0.00000 -0.00744 0.00177 0.21721 113 3S -0.17082 -0.00093 0.17830 -0.03823 3.92965 114 4PX -0.00381 0.00004 0.00114 -0.00298 -0.01254 115 4PY 0.00710 0.00001 -0.00332 -0.00091 0.01787 116 4PZ -0.01587 0.00003 0.00037 -0.00022 0.06141 117 5PX 0.05041 0.00023 0.00811 0.05714 0.24334 118 5PY -0.08873 0.00035 0.01714 0.03350 -0.36743 119 5PZ 0.12258 -0.00007 -0.04361 0.01125 -0.75815 120 6PX -2.67485 0.04372 -0.04321 -0.16755 -0.21151 121 6PY 4.73076 0.02398 0.00900 -0.10285 0.24661 122 6PZ -6.37725 0.00386 0.09864 -0.03430 2.24907 123 7D 0 0.00587 0.00001 -0.05675 0.01523 -0.04912 124 7D+1 0.01659 -0.00010 -0.00608 0.07363 -0.02167 125 7D-1 -0.02636 -0.00006 0.04945 0.03238 0.03587 126 7D+2 0.01531 -0.00007 0.03808 0.03807 -0.03394 127 7D-2 0.03147 0.00009 0.04804 -0.03597 -0.06788 128 8D 0 0.00321 0.00000 -0.01213 0.00322 -0.01549 129 8D+1 0.00425 -0.00001 -0.00230 0.01556 -0.01426 130 8D-1 -0.00691 -0.00002 0.01214 0.00638 0.02308 131 8D+2 0.00423 -0.00002 0.00793 0.00882 -0.01530 132 8D-2 0.00868 0.00003 0.00930 -0.00765 -0.03104 133 7 Cu 1S 0.00092 0.00000 0.00039 -0.00008 -0.00484 134 2S -0.03822 -0.00002 0.00233 -0.00051 -0.06356 135 3S -0.73817 -0.00028 0.03088 -0.01077 -1.68750 136 4PX -0.00813 0.00008 0.00012 -0.00076 0.00040 137 4PY 0.01143 0.00004 -0.00081 -0.00020 -0.00166 138 4PZ 0.03975 0.00004 0.00103 -0.00017 0.02238 139 5PX 0.00869 -0.00031 0.00259 0.00555 -0.08170 140 5PY -0.00044 -0.00007 0.00108 0.00317 0.13937 141 5PZ -0.28048 -0.00025 -0.01195 0.00231 -0.12483 142 6PX 1.88026 0.04648 0.00046 0.09289 -0.31221 143 6PY -3.45521 0.02387 0.02178 0.04954 0.48451 144 6PZ 7.23217 0.00704 -0.03059 0.01742 0.70266 145 7D 0 -0.03527 0.00003 0.05610 -0.01528 0.02193 146 7D+1 0.00222 0.00018 0.00662 -0.07437 -0.03827 147 7D-1 -0.00218 0.00008 -0.05029 -0.03205 0.05996 148 7D+2 -0.01307 -0.00004 -0.04086 -0.04314 -0.01278 149 7D-2 -0.02481 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169 4PZ 0.01461 -0.00014 0.01185 -0.00204 -0.06454 170 5PX 0.03334 -0.00036 0.00044 -0.01082 -0.07903 171 5PY -0.05411 -0.00020 -0.00330 -0.00567 0.12844 172 5PZ -0.01813 -0.00013 0.01157 -0.00384 0.02384 111 112 113 114 115 V V V V V EIGENVALUES -- 0.18817 0.19149 0.21495 0.24683 0.24777 1 1 Cu 1S -0.00481 -0.00255 0.00297 -0.00555 -0.00071 2 2S -0.01543 -0.00211 0.01228 0.09542 0.02251 3 3S -0.49265 0.35301 -1.39382 6.79722 1.22838 4 4PX 0.04918 -0.05728 -0.01573 -0.03592 0.00079 5 4PY -0.00103 0.00336 -0.00098 -0.05603 -0.00485 6 4PZ 0.01424 -0.03811 -0.01936 0.05771 0.02342 7 5PX -0.76013 0.89328 0.11396 0.98388 -0.31365 8 5PY 0.03386 -0.02776 0.01302 1.36820 0.08022 9 5PZ -0.16895 0.54005 0.58202 -1.43578 -0.78791 10 6PX 1.10289 -1.30702 -0.22159 0.15204 -0.21543 11 6PY 0.36405 0.61004 -1.09875 1.09177 0.31638 12 6PZ 0.50354 -1.05785 -0.54754 -0.26757 0.02580 13 7D 0 0.01986 -0.03139 -0.02100 0.01465 0.04847 14 7D+1 0.07919 0.04792 -0.04172 0.00874 0.00388 15 7D-1 -0.03736 0.01220 0.01709 -0.06296 -0.03287 16 7D+2 0.03937 0.07057 -0.02102 0.03573 0.00422 17 7D-2 -0.00296 0.04997 0.00112 0.05231 -0.02519 18 8D 0 0.00428 -0.01002 -0.01575 0.00318 0.02039 19 8D+1 0.03090 0.01166 0.01295 0.00784 0.00728 20 8D-1 -0.01062 0.00803 -0.00308 -0.02308 -0.01597 21 8D+2 0.00842 0.02153 -0.01213 0.01549 -0.00173 22 8D-2 -0.00291 0.01501 0.00778 0.02162 -0.01449 23 2 Cu 1S 0.00139 -0.00399 0.00839 0.00274 0.00448 24 2S -0.01081 -0.00255 0.03696 -0.06803 -0.07322 25 3S -0.96650 0.68612 -0.89026 -4.70057 -5.33213 26 4PX 0.00139 -0.00094 -0.01117 0.04552 0.06141 27 4PY -0.05467 -0.02260 0.04207 0.02626 0.02824 28 4PZ 0.04199 0.02937 -0.00873 0.04118 0.01539 29 5PX -0.07366 0.11041 0.05178 -1.12204 -1.57727 30 5PY 0.82161 0.33849 -0.73887 -0.47695 -0.82728 31 5PZ -0.63509 -0.43124 0.15733 -1.19761 -0.21735 32 6PX -0.47589 0.51941 -0.26607 -1.01891 -0.70937 33 6PY -1.37924 -0.09107 0.87557 0.38960 -0.30308 34 6PZ 0.96692 1.21690 -0.20079 0.10669 -0.27345 35 7D 0 -0.03741 0.01543 -0.00445 -0.03160 0.02224 36 7D+1 -0.02770 -0.02079 -0.00124 -0.07498 -0.00795 37 7D-1 0.02854 -0.11181 -0.03741 0.01981 0.03882 38 7D+2 0.01226 -0.03222 0.02736 0.00616 -0.01557 39 7D-2 0.03725 0.03947 -0.05611 -0.03853 -0.06475 40 8D 0 -0.01113 0.00342 0.00747 -0.01343 0.01018 41 8D+1 -0.00877 -0.01041 0.00611 -0.02938 0.00110 42 8D-1 0.00807 -0.03049 -0.01610 0.01177 0.01690 43 8D+2 0.00283 -0.01088 0.00412 -0.00037 -0.00542 44 8D-2 0.01753 0.00840 -0.00174 -0.00793 -0.02471 45 3 Cu 1S 0.00458 0.00045 0.01012 -0.00053 -0.00323 46 2S -0.01030 0.00036 0.05073 0.01356 0.11325 47 3S -1.28760 -0.07780 -0.20854 0.90289 7.21911 48 4PX 0.01181 -0.08083 -0.02274 0.01276 -0.01719 49 4PY -0.00614 -0.04243 0.03166 0.01273 0.04675 50 4PZ -0.00825 -0.00958 0.01515 -0.00922 -0.08373 51 5PX -0.18882 1.22883 0.41235 -0.57010 0.47304 52 5PY 0.12635 0.65663 -0.56304 -0.45272 -1.13082 53 5PZ 0.06065 0.13975 -0.32785 0.19581 2.06601 54 6PX 0.09523 -1.95791 -0.58775 -0.02540 0.40094 55 6PY 0.37636 -1.01027 0.72972 -0.16453 -0.87651 56 6PZ -0.87467 -0.32443 0.97087 0.07086 0.71928 57 7D 0 0.04407 0.01679 -0.09569 -0.00321 0.02521 58 7D+1 -0.02086 0.05272 0.03326 -0.03617 0.04451 59 7D-1 -0.00669 0.02564 -0.01974 -0.02584 -0.06685 60 7D+2 -0.04930 0.02923 -0.00291 -0.01855 0.02732 61 7D-2 -0.06702 -0.04060 -0.00291 0.02850 0.04630 62 8D 0 0.01537 0.00596 -0.02182 -0.00288 0.00652 63 8D+1 -0.00491 0.01947 0.01188 -0.01756 0.01849 64 8D-1 -0.00572 0.00893 -0.00964 -0.01135 -0.02424 65 8D+2 -0.01444 0.00979 0.00387 -0.01008 0.01296 66 8D-2 -0.01820 -0.01284 0.00781 0.01334 0.02020 67 4 Cu 1S 0.00044 0.00417 0.00769 -0.00183 0.00555 68 2S -0.01095 0.00328 0.03342 0.04533 -0.09157 69 3S -0.87492 -0.67517 -1.03605 3.20711 -6.66463 70 4PX 0.03754 -0.00502 -0.02721 0.03764 -0.07019 71 4PY -0.03816 0.00866 0.03063 0.01473 -0.04876 72 4PZ 0.04969 -0.01858 -0.01461 -0.02905 0.00548 73 5PX -0.54115 0.12696 0.55694 -0.80412 1.80458 74 5PY 0.61772 -0.04778 -0.38624 -0.48644 1.20749 75 5PZ -0.73313 0.28422 0.30033 0.95069 -0.01925 76 6PX 1.14823 0.66606 -0.38406 -0.02117 0.85533 77 6PY -0.58356 0.44170 0.64446 -0.93852 0.52436 78 6PZ 1.29171 -0.82325 -0.43291 -0.29938 -0.20552 79 7D 0 -0.02359 -0.04551 -0.00131 0.01522 0.01386 80 7D+1 0.02460 -0.09830 0.00733 -0.03725 -0.04740 81 7D-1 0.03602 0.06900 -0.01025 -0.07043 0.04010 82 7D+2 0.03781 -0.01601 -0.06357 0.02753 -0.03729 83 7D-2 0.01391 0.01706 0.00327 0.01229 -0.05147 84 8D 0 -0.00606 -0.01351 0.00796 0.00698 0.00450 85 8D+1 0.00923 -0.02829 0.00344 -0.01385 -0.02169 86 8D-1 0.01052 0.01574 -0.01464 -0.02929 0.01485 87 8D+2 0.01780 -0.00210 -0.00311 0.00194 -0.01318 88 8D-2 0.00508 0.00854 0.00442 0.00555 -0.01784 89 5 Cu 1S -0.00532 0.00198 0.00229 0.00499 -0.00229 90 2S -0.01565 0.00172 0.00945 -0.08812 0.05385 91 3S -0.46838 -0.25145 -1.39068 -6.22862 3.40447 92 4PX -0.02272 -0.04251 0.01126 -0.05298 0.02029 93 4PY -0.03461 -0.05850 0.00730 0.00605 -0.01120 94 4PZ 0.00008 0.03104 -0.01632 -0.06079 0.04145 95 5PX 0.33041 0.66250 -0.15282 1.39626 -0.29194 96 5PY 0.54372 0.88797 -0.01613 -0.00627 0.48468 97 5PZ 0.04537 -0.43846 0.55914 1.49012 -1.17083 98 6PX -0.89171 -0.68493 1.14604 0.85097 -0.36142 99 6PY -0.53014 -1.61038 -0.60163 -0.41850 0.37248 100 6PZ 0.11125 0.89591 -0.41414 0.38308 -0.23061 101 7D 0 -0.00615 0.04393 -0.01005 -0.01275 0.04414 102 7D+1 -0.01799 0.00561 0.01331 -0.04964 0.01913 103 7D-1 -0.07902 -0.00277 0.03786 0.02869 -0.04489 104 7D+2 -0.01839 -0.02870 0.01044 -0.02835 -0.01825 105 7D-2 0.06397 -0.07792 -0.03899 -0.05385 0.00935 106 8D 0 -0.00666 0.01393 -0.01955 -0.00066 0.01675 107 8D+1 -0.00958 0.00310 0.00234 -0.01751 0.00520 108 8D-1 -0.02878 -0.00493 -0.01316 0.01203 -0.02451 109 8D+2 -0.00590 -0.00987 0.01015 -0.01313 -0.01072 110 8D-2 0.01691 -0.02346 -0.00870 -0.02411 0.00174 111 6 Cu 1S -0.01864 0.00007 -0.04945 0.00036 -0.00645 112 2S -0.04925 -0.00035 -0.33752 0.00314 -0.05096 113 3S 4.35802 -0.03945 3.21646 0.01397 -0.11181 114 4PX -0.00748 0.04700 0.01357 -0.04419 0.00300 115 4PY 0.01541 0.02839 -0.01960 -0.02618 -0.01512 116 4PZ -0.04743 0.00172 -0.04888 -0.00244 0.02012 117 5PX 0.51035 -0.47831 0.60838 0.75627 0.01565 118 5PY -0.86146 -0.28314 -1.02420 0.45802 0.14904 119 5PZ 0.24715 -0.01653 0.32372 0.04434 -0.43676 120 6PX -1.10919 0.82504 -1.13671 -1.01176 0.03131 121 6PY 1.83623 0.48310 1.89219 -0.59021 -0.26851 122 6PZ 0.05406 0.01999 -0.50607 -0.05608 0.39916 123 7D 0 0.02149 -0.00084 0.03962 0.00705 -0.06225 124 7D+1 -0.02974 -0.01470 -0.01041 0.07440 -0.01384 125 7D-1 0.04542 -0.00998 0.01526 0.04143 0.04074 126 7D+2 -0.01016 0.01730 0.01281 0.03064 0.03286 127 7D-2 -0.02304 -0.00817 0.02313 -0.02232 0.05713 128 8D 0 -0.00778 -0.00001 -0.00312 0.00278 -0.02508 129 8D+1 -0.02067 -0.00147 -0.02276 0.02928 -0.00785 130 8D-1 0.03274 -0.00130 0.03589 0.01597 0.01976 131 8D+2 -0.01631 0.00236 -0.01563 0.01220 0.01122 132 8D-2 -0.03372 -0.00085 -0.03271 -0.00858 0.01876 133 7 Cu 1S 0.00594 0.00001 0.02186 -0.00026 0.00316 134 2S 0.01474 0.00027 0.11830 -0.00136 0.01880 135 3S 0.02283 0.00220 1.82351 0.00717 0.25802 136 4PX -0.01726 0.06252 0.01059 0.04122 -0.00441 137 4PY 0.03139 0.03774 -0.02108 0.02412 0.01658 138 4PZ -0.03922 0.00208 0.07180 0.00192 -0.01429 139 5PX 0.22770 -0.73185 -0.01770 -0.69841 0.07681 140 5PY -0.40886 -0.44178 0.08470 -0.41057 -0.28238 141 5PZ 0.42545 -0.02421 -1.12048 -0.03158 0.20219 142 6PX -0.63778 2.37483 0.95777 1.14552 -0.03627 143 6PY 1.16058 1.42842 -1.67982 0.67127 0.31235 144 6PZ -1.47879 0.08005 2.10720 0.06241 -0.49080 145 7D 0 -0.03333 0.00155 0.02710 0.00790 -0.06729 146 7D+1 -0.00177 0.02450 -0.00253 0.08174 -0.01567 147 7D-1 0.00452 0.01607 0.00332 0.04510 0.04442 148 7D+2 -0.01554 -0.04226 0.01322 0.02657 0.03042 149 7D-2 -0.02926 0.02131 0.02507 -0.02083 0.05525 150 8D 0 -0.00763 0.00038 0.01199 0.00418 -0.03216 151 8D+1 -0.00502 0.00586 -0.00930 0.04148 -0.00870 152 8D-1 0.00845 0.00379 0.01443 0.02270 0.02278 153 8D+2 -0.00634 -0.01033 0.00060 0.01368 0.01473 154 8D-2 -0.01250 0.00522 0.00022 -0.01091 0.02694 155 8 C 1S 0.03385 -0.00037 -0.01664 0.00023 -0.00453 156 2S -0.07749 0.00089 0.05618 -0.00121 0.01203 157 3S -0.57524 0.00564 0.07374 -0.00175 0.07817 158 4PX 0.03874 0.13502 0.03282 -0.03792 -0.00288 159 4PY -0.05691 0.08261 -0.05770 -0.02269 -0.00441 160 4PZ -0.09447 0.00473 0.08640 -0.00142 -0.00106 161 5PX 0.55703 0.06643 0.77933 -0.14353 0.07799 162 5PY -0.89171 0.04850 -1.25175 -0.07864 -0.16409 163 5PZ -0.49459 0.00593 -0.61439 -0.00436 0.04975 164 9 O 1S 0.02652 -0.00015 0.05963 -0.00052 0.00854 165 2S -0.02740 0.00014 -0.09244 0.00120 -0.01497 166 3S -0.50344 0.00292 -0.93473 0.00555 -0.12321 167 4PX 0.03275 -0.05545 0.07122 0.05530 0.00253 168 4PY -0.05514 -0.03337 -0.11620 0.03269 0.00198 169 4PZ 0.00390 -0.00149 -0.02106 0.00565 -0.03743 170 5PX 0.00284 -0.03992 0.07812 0.02287 0.01918 171 5PY -0.01000 -0.02441 -0.13290 0.01601 -0.02267 172 5PZ 0.09641 -0.00212 0.06758 -0.00004 -0.00399 116 117 118 119 120 V V V V V EIGENVALUES -- 0.25253 0.26105 0.27801 0.28658 0.31089 1 1 Cu 1S -0.00049 -0.00013 0.00104 0.00001 0.01511 2 2S 0.06408 -0.01231 -0.06208 0.00019 0.09514 3 3S 3.74253 -1.20453 -3.24603 -0.00695 0.46935 4 4PX -0.01192 -0.02621 0.01608 -0.06286 0.00351 5 4PY -0.05686 0.03797 0.03670 -0.00353 -0.00565 6 4PZ 0.00776 0.00904 -0.03659 -0.04195 0.02046 7 5PX 0.30374 0.75056 -0.54135 1.68085 -0.24351 8 5PY 1.46032 -1.06016 -0.91520 0.09286 -0.19730 9 5PZ -0.17156 -0.14075 1.18343 1.12630 -0.88494 10 6PX 0.65878 -0.68386 -0.34670 -4.90210 0.03075 11 6PY -0.24717 0.42836 -0.38417 -0.27149 0.22490 12 6PZ -1.06597 0.80311 0.36145 -3.27057 0.05246 13 7D 0 -0.05498 0.05968 -0.04099 -0.05118 0.06289 14 7D+1 0.05256 -0.09170 0.06225 -0.02567 0.01457 15 7D-1 -0.02584 0.01494 0.06633 0.03374 0.02319 16 7D+2 -0.03708 0.07876 0.00724 0.02367 0.05946 17 7D-2 0.02860 0.02260 -0.03264 0.05686 -0.04497 18 8D 0 -0.01563 0.00564 -0.00640 -0.01990 0.01220 19 8D+1 0.01577 -0.00854 0.02840 -0.01021 0.00437 20 8D-1 -0.01196 0.00326 0.01664 0.01341 -0.01319 21 8D+2 -0.00858 0.01916 0.01858 0.00913 0.00574 22 8D-2 0.01116 0.00917 -0.00613 0.02165 -0.00031 23 2 Cu 1S 0.00526 0.00783 0.00725 -0.00087 -0.00618 24 2S -0.01581 0.06442 -0.01796 -0.00474 -0.09510 25 3S -2.28620 1.18571 -2.71434 -0.02125 -2.92529 26 4PX 0.03957 -0.02123 0.04065 0.00685 0.03955 27 4PY -0.02852 0.00215 0.01176 0.05123 0.00241 28 4PZ -0.01029 -0.02164 0.00504 -0.05523 0.03318 29 5PX -1.00615 0.43283 -1.38894 -0.17678 -0.87375 30 5PY 0.79632 -0.03220 -0.16595 -1.36915 -0.06660 31 5PZ 0.17364 0.51696 0.01490 1.47731 -1.47868 32 6PX 0.43486 0.42809 -0.28887 0.47677 -0.52716 33 6PY -1.10119 -0.11876 -0.14924 3.98142 -0.15994 34 6PZ -0.94605 -0.36367 -0.37607 -4.30710 -0.08826 35 7D 0 0.03308 0.00665 0.06525 0.03966 -0.03158 36 7D+1 0.01297 0.01890 -0.00911 0.05761 -0.08003 37 7D-1 0.05162 -0.00855 -0.00423 -0.00404 -0.05358 38 7D+2 -0.07890 0.00779 -0.10353 0.00901 0.00246 39 7D-2 0.05604 -0.00875 -0.00938 -0.05689 0.00052 40 8D 0 0.00550 0.00585 0.01904 0.01558 -0.00489 41 8D+1 -0.00146 0.01067 -0.00302 0.02170 -0.02250 42 8D-1 0.01996 -0.00554 -0.02199 -0.00157 -0.01041 43 8D+2 -0.01967 -0.00168 -0.02688 0.00364 -0.00630 44 8D-2 0.01491 0.01089 0.00147 -0.02185 -0.00230 45 3 Cu 1S -0.00086 0.01475 0.01145 0.00008 -0.01945 46 2S 0.00934 0.05441 0.00845 0.00041 -0.20386 47 3S 0.75440 -1.13977 -2.46924 -0.00098 -4.68952 48 4PX -0.00820 0.01111 0.00985 0.06654 0.01766 49 4PY 0.00591 -0.01932 -0.02597 0.03527 -0.04353 50 4PZ -0.00528 -0.01957 0.02221 0.00788 0.06771 51 5PX 0.06947 -0.32492 -0.46172 -1.77615 -0.32152 52 5PY -0.22018 0.56462 1.07270 -0.94073 0.81773 53 5PZ 0.11900 0.40036 -0.56542 -0.21123 -2.05373 54 6PX -0.21686 0.52360 0.06887 5.15952 -0.17578 55 6PY -0.04518 -0.87407 -0.07335 2.73247 0.50895 56 6PZ 0.15395 -0.76105 -0.49854 0.61286 -0.71745 57 7D 0 -0.00874 0.04782 0.01524 -0.01348 -0.07449 58 7D+1 0.00240 -0.02017 -0.03739 -0.06710 0.01054 59 7D-1 -0.01122 0.02874 0.08860 -0.02909 -0.00297 60 7D+2 -0.00698 0.02277 0.05886 -0.04014 -0.00142 61 7D-2 0.00239 0.02612 0.06558 0.03676 0.00722 62 8D 0 -0.00341 0.02011 -0.00621 -0.00506 -0.02408 63 8D+1 -0.00336 -0.00544 -0.00161 -0.02517 -0.00595 64 8D-1 -0.00571 0.00444 0.01488 -0.01095 0.01842 65 8D+2 -0.00325 0.00683 0.02237 -0.01477 0.00306 66 8D-2 0.00397 0.00966 0.02977 0.01358 0.00282 67 4 Cu 1S -0.00430 0.00611 0.00587 0.00080 -0.00190 68 2S -0.00278 0.06129 -0.02773 0.00413 -0.05803 69 3S 0.95596 1.41481 -2.82655 0.01163 -2.27989 70 4PX -0.01763 0.01037 -0.03542 0.03527 -0.02006 71 4PY 0.03873 0.02769 -0.02811 -0.02893 -0.02677 72 4PZ 0.01872 -0.01444 -0.00344 0.06032 0.02460 73 5PX 0.51448 -0.20826 0.95818 -0.93920 0.54158 74 5PY -1.05139 -0.61530 1.04429 0.77780 0.65090 75 5PZ -0.35374 0.37536 0.27212 -1.61073 -1.29179 76 6PX -0.69155 -0.17684 0.34157 2.72257 0.32451 77 6PY 1.07290 -0.21224 0.25800 -2.28575 0.28144 78 6PZ 0.95381 -0.27968 -0.29101 4.68905 0.05739 79 7D 0 -0.01785 -0.00266 0.06085 -0.01810 0.00499 80 7D+1 0.04285 0.00050 -0.01631 0.04934 0.09401 81 7D-1 0.01462 -0.01632 -0.02612 0.05064 0.04279 82 7D+2 -0.10250 -0.03065 0.02581 0.05362 -0.01298 83 7D-2 0.04139 0.01650 -0.09556 -0.00112 -0.01664 84 8D 0 -0.00180 0.00330 0.02178 -0.00735 0.00205 85 8D+1 0.01101 0.00140 0.01278 0.01893 0.02062 86 8D-1 -0.00353 -0.01438 -0.01801 0.01908 0.01035 87 8D+2 -0.02945 0.00517 0.00535 0.02074 -0.00067 88 8D-2 0.00999 0.00667 -0.02371 -0.00042 -0.00743 89 5 Cu 1S 0.00078 -0.00027 0.00041 0.00005 0.01766 90 2S -0.05266 -0.02547 -0.06657 -0.00013 0.11708 91 3S -3.18341 -1.92485 -3.27945 -0.00469 0.81064 92 4PX -0.04562 -0.02830 -0.03363 -0.04499 0.00578 93 4PY 0.01453 0.04426 0.01061 -0.05353 -0.00649 94 4PZ -0.01208 0.00666 -0.04236 0.02902 0.02328 95 5PX 1.22331 0.75819 0.87423 1.20228 0.22565 96 5PY -0.32062 -1.26037 -0.17869 1.43121 0.07109 97 5PZ 0.25933 -0.10179 1.33207 -0.77942 -0.84641 98 6PX 0.00807 -0.10789 0.42603 -3.49309 -0.24724 99 6PY 0.43816 0.78673 0.03294 -4.17606 0.13406 100 6PZ 0.91179 1.06581 0.49159 2.27152 -0.03128 101 7D 0 0.05661 0.09651 -0.06612 0.04313 0.04386 102 7D+1 -0.01655 0.01852 -0.07606 -0.01469 -0.05347 103 7D-1 0.03574 0.09279 -0.00370 -0.05114 0.01367 104 7D+2 -0.03607 -0.01219 -0.01948 -0.04862 -0.05086 105 7D-2 0.00332 0.06266 0.00430 -0.03430 0.04590 106 8D 0 0.01719 0.01119 -0.01642 0.01673 0.01116 107 8D+1 -0.00869 0.00028 -0.02654 -0.00549 0.00704 108 8D-1 0.01122 0.01405 -0.00748 -0.02018 -0.01107 109 8D+2 -0.01244 -0.00066 -0.00903 -0.01851 -0.00198 110 8D-2 -0.00278 0.01863 0.01992 -0.01302 0.00763 111 6 Cu 1S -0.00014 -0.04361 0.04788 0.00002 -0.01951 112 2S -0.00113 -0.30813 0.40901 0.00019 -0.11267 113 3S -0.00556 -0.25073 8.75402 0.00999 0.87460 114 4PX 0.08697 0.02494 0.05702 0.00127 -0.00752 115 4PY 0.05239 -0.04482 -0.09121 0.00060 0.01063 116 4PZ 0.00309 0.07984 -0.06875 0.00005 0.06292 117 5PX -1.35934 0.09042 -1.74400 -0.02494 -0.13838 118 5PY -0.81716 -0.07505 2.77469 -0.01084 0.27015 119 5PZ -0.05012 -1.57422 2.21912 0.00005 -1.73307 120 6PX 2.07745 0.41793 -0.32039 0.02352 0.13580 121 6PY 1.25381 -0.78591 0.48468 0.01319 -0.22023 122 6PZ 0.06683 1.73514 1.12250 0.00404 -0.15971 123 7D 0 -0.00036 0.01711 0.02133 -0.00009 -0.08298 124 7D+1 0.01642 0.01411 0.01523 -0.00034 0.04490 125 7D-1 0.00954 -0.02464 -0.02493 -0.00039 -0.06948 126 7D+2 0.03634 0.00512 0.01886 0.00138 -0.00642 127 7D-2 -0.01809 0.01139 0.03847 -0.00065 -0.00969 128 8D 0 -0.00029 -0.01058 0.00843 0.00000 -0.01833 129 8D+1 0.00406 -0.00679 0.02538 -0.00008 0.00088 130 8D-1 0.00206 0.01039 -0.04066 -0.00009 -0.00083 131 8D+2 0.02120 -0.01460 0.01783 0.00013 -0.00735 132 8D-2 -0.01053 -0.02871 0.03692 -0.00003 -0.01478 133 7 Cu 1S -0.00002 0.02388 -0.03773 -0.00001 0.03313 134 2S 0.00000 0.14352 -0.11827 0.00013 0.31340 135 3S 0.02143 1.96588 5.37814 0.01192 7.93163 136 4PX -0.08448 -0.04250 -0.00793 0.00030 -0.03863 137 4PY -0.05071 0.07295 0.01324 0.00026 0.05987 138 4PZ -0.00286 -0.05376 -0.01003 0.00009 0.09856 139 5PX 1.61274 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-0.01777 159 4PY 0.11031 -0.03766 -0.05543 0.00251 0.02505 160 4PZ 0.00560 0.22546 0.08583 0.00064 0.19256 161 5PX 0.22157 0.44395 -0.23042 0.00047 -0.06820 162 5PY 0.13241 -0.72822 0.36871 0.00048 0.11180 163 5PZ 0.00977 -0.03663 0.15603 0.00003 0.05575 164 9 O 1S 0.00007 0.02879 0.01765 0.00003 -0.01819 165 2S -0.00004 -0.02991 -0.05206 -0.00006 0.04511 166 3S -0.00159 -0.52463 -0.15667 -0.00035 0.22508 167 4PX -0.04317 0.01982 0.02214 -0.00101 -0.03466 168 4PY -0.02650 -0.03011 -0.03566 -0.00064 0.05723 169 4PZ -0.00118 -0.04011 -0.01319 -0.00004 -0.03027 170 5PX -0.08711 0.04492 0.08131 -0.00064 -0.06561 171 5PY -0.05343 -0.07157 -0.13011 -0.00059 0.10794 172 5PZ -0.00333 -0.05936 -0.05991 -0.00017 -0.01695 121 122 123 124 125 V V V V V EIGENVALUES -- 0.31887 0.33982 0.40375 0.41472 0.54357 1 1 Cu 1S -0.01610 -0.01520 0.02520 -0.01550 -0.00558 2 2S -0.15540 -0.17216 0.03275 -0.02659 -0.00070 3 3S -2.83779 -3.83310 -1.57876 0.59050 -0.19015 4 4PX 0.03536 0.02184 0.00514 0.00650 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0.01165 0.03663 45 3 Cu 1S 0.00298 0.00561 -0.00890 0.00108 0.00741 46 2S 0.02867 0.11847 0.06083 -0.00620 0.01768 47 3S 0.57146 2.97120 3.69783 -0.40308 0.03467 48 4PX 0.01980 -0.01254 -0.00965 0.00652 -0.00201 49 4PY 0.01806 0.02783 0.02527 -0.00018 0.00331 50 4PZ -0.00456 -0.02894 -0.02597 0.00325 -0.00036 51 5PX -1.25769 0.71631 0.46616 0.24336 -0.05122 52 5PY -0.85494 -1.22980 -0.96367 0.25556 0.06492 53 5PZ 0.03454 0.47134 0.76046 -0.03820 0.17408 54 6PX 0.01543 0.07051 0.62655 0.00464 0.11355 55 6PY -0.05443 -0.16656 -0.97322 0.14945 -0.21054 56 6PZ 0.07758 0.27602 -0.81363 0.08506 -0.15556 57 7D 0 -0.01614 -0.09617 -0.01165 0.00686 0.00067 58 7D+1 -0.07102 0.01857 0.00257 0.01574 -0.01415 59 7D-1 -0.02882 0.00811 -0.00916 0.01157 0.02688 60 7D+2 -0.04042 -0.01517 -0.03760 -0.00877 -0.00014 61 7D-2 0.03459 -0.02710 -0.05169 0.00838 -0.00583 62 8D 0 -0.00189 -0.00350 0.00146 -0.00020 0.01887 63 8D+1 -0.01638 0.00999 0.00638 0.00510 0.01515 64 8D-1 -0.01035 -0.01804 -0.00799 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5PZ 0.00676 -0.04324 -1.86223 -0.06459 -0.23558 164 9 O 1S -0.00004 -0.04205 -0.02712 -0.00012 -0.08856 165 2S -0.00020 0.07518 0.04970 0.00017 0.24393 166 3S 0.00214 0.67468 0.45350 0.00222 0.82593 167 4PX -0.04989 -0.03976 -0.02604 0.12950 -0.05229 168 4PY -0.03088 0.06339 0.03373 0.07935 0.09146 169 4PZ -0.00124 0.04415 0.14169 0.00470 -0.09708 170 5PX -0.06295 -0.14160 -0.07571 0.12875 -0.73085 171 5PY -0.03915 0.22925 0.11499 0.07858 1.18703 172 5PZ -0.00185 0.08962 0.17387 0.00531 0.34112 126 127 128 129 130 V V V V V EIGENVALUES -- 0.63997 0.64018 0.65547 0.67425 0.67812 1 1 Cu 1S 0.00954 0.00673 0.02342 -0.15104 -0.00574 2 2S 0.01490 0.01100 0.06808 -0.28027 -0.00933 3 3S -0.26099 -0.22488 -0.24989 3.22543 0.09337 4 4PX 0.00507 0.00439 -0.00155 -0.00142 -0.00654 5 4PY -0.00729 -0.00557 -0.00440 0.00401 -0.00530 6 4PZ -0.00679 -0.00575 0.00109 -0.00297 -0.00172 7 5PX -0.09948 -0.07725 -0.08919 0.07443 0.15791 8 5PY 0.10978 0.06705 -0.18677 0.41973 0.15639 9 5PZ 0.14908 0.12574 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-0.30028 -0.02091 -1.03807 3.41480 4.03676 70 4PX 0.00431 -0.00382 -0.00825 0.00765 0.00467 71 4PY -0.00819 0.00557 -0.00214 0.00647 0.00063 72 4PZ -0.00617 0.00469 0.00106 -0.00725 0.00267 73 5PX -0.04658 0.08172 0.31447 -0.60501 -0.75934 74 5PY 0.18331 -0.08671 0.30718 -0.57152 -0.44293 75 5PZ 0.10906 -0.10484 -0.31547 0.17405 0.03723 76 6PX 0.09743 -0.03254 0.03969 -0.28127 -0.77847 77 6PY -0.08375 0.04244 0.28172 -0.34611 -0.43862 78 6PZ -0.09151 -0.01653 -0.33124 0.23825 -0.02126 79 7D 0 -0.11607 -0.21733 -0.03955 -0.11770 0.05751 80 7D+1 -0.04840 0.05012 -0.03577 0.10595 -0.07855 81 7D-1 -0.08984 -0.06495 -0.06576 0.12962 -0.06764 82 7D+2 0.06581 -0.08147 0.04704 0.09994 -0.11560 83 7D-2 -0.12571 -0.10295 0.04730 0.04060 -0.04429 84 8D 0 0.17311 0.31183 0.07192 0.15848 -0.09546 85 8D+1 0.04904 -0.05787 0.08060 -0.13341 0.11995 86 8D-1 0.12339 0.09899 0.09749 -0.19737 0.05961 87 8D+2 -0.07087 0.09970 -0.06053 -0.13054 0.18526 88 8D-2 0.17056 0.15261 -0.09513 -0.02939 0.10823 89 5 Cu 1S -0.01310 0.00067 0.03580 0.13572 0.00158 90 2S -0.02143 0.00139 0.09385 0.24795 0.00141 91 3S 0.38185 -0.03427 -0.45999 -2.95838 -0.10488 92 4PX -0.00561 -0.00026 0.00548 0.00183 0.00746 93 4PY 0.00987 -0.00002 -0.00217 -0.00396 0.00298 94 4PZ 0.00922 -0.00026 0.00322 0.00275 -0.00033 95 5PX 0.06087 0.01219 0.21208 0.25300 -0.16216 96 5PY -0.15246 -0.01249 -0.05620 -0.18544 -0.02820 97 5PZ -0.20553 0.00967 -0.06960 0.35681 -0.02297 98 6PX -0.08501 0.00079 0.16293 0.39274 -0.14632 99 6PY 0.09389 0.04561 0.28887 -0.22936 -0.10728 100 6PZ -0.02311 0.02795 0.40738 0.49433 0.08274 101 7D 0 0.09448 0.12714 0.05087 0.00185 0.10890 102 7D+1 0.00673 -0.15132 0.16294 0.00379 -0.07441 103 7D-1 0.06149 -0.05392 -0.04011 0.01844 -0.14595 104 7D+2 -0.03332 0.22869 0.02269 0.06443 -0.16809 105 7D-2 0.06924 -0.03130 0.00352 0.07345 -0.04102 106 8D 0 -0.10706 -0.18291 -0.05888 -0.00237 -0.14280 107 8D+1 -0.00346 0.21725 -0.25856 -0.02539 0.11312 108 8D-1 -0.07807 0.07781 0.06416 0.02822 0.21228 109 8D+2 0.04203 -0.32984 -0.05384 -0.09796 0.23544 110 8D-2 -0.07594 0.04766 0.01371 -0.12167 0.03459 111 6 Cu 1S -0.00172 0.00324 0.00587 0.00180 0.00138 112 2S -0.00654 0.01125 0.05987 -0.00069 -0.01504 113 3S -0.05547 0.08265 1.24834 -0.24624 -1.83037 114 4PX -0.00046 -0.00001 0.01752 0.01031 -0.00532 115 4PY 0.00027 0.00019 -0.02873 0.00857 0.00564 116 4PZ 0.00014 -0.00043 0.00057 0.00201 0.01102 117 5PX 0.04153 -0.01734 -0.60189 -0.41846 0.20608 118 5PY -0.01956 0.03825 0.98308 -0.33013 -0.21281 119 5PZ -0.00849 0.02734 0.00418 -0.08109 -0.37628 120 6PX -0.12308 -0.00103 0.49036 -0.17356 0.10525 121 6PY 0.02162 -0.15585 -0.83141 -0.04158 -0.10755 122 6PZ -0.08326 0.14427 0.43205 -0.04793 -0.08392 123 7D 0 0.05680 -0.08285 0.10228 -0.01886 -0.08201 124 7D+1 0.14459 0.02451 -0.11616 -0.06595 -0.00794 125 7D-1 0.01556 0.12126 0.17579 -0.03072 0.06739 126 7D+2 0.06886 0.10973 -0.02186 -0.14257 0.09703 127 7D-2 -0.11504 0.06338 -0.04811 0.10703 0.12077 128 8D 0 -0.08468 0.12263 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7D+2 -0.04460 -0.10120 -0.03879 -0.08836 0.09757 149 7D-2 0.09927 -0.07342 -0.07208 0.08725 0.13921 150 8D 0 0.06885 -0.11019 0.04040 0.04670 0.19160 151 8D+1 0.14422 0.04379 0.15465 0.24628 -0.03191 152 8D-1 0.03344 0.12134 -0.23247 0.13667 -0.06759 153 8D+2 0.05942 0.13688 0.06729 0.12767 -0.15720 154 8D-2 -0.13408 0.10023 0.12546 -0.13398 -0.22744 155 8 C 1S 0.00038 0.00051 -0.04627 0.00227 -0.00428 156 2S 0.02093 -0.03641 -0.10113 -0.00462 -0.06270 157 3S 0.00797 -0.00893 0.04801 0.00003 -0.00209 158 4PX 0.00880 -0.01498 -0.01310 -0.04960 0.08848 159 4PY -0.01160 0.01890 0.01875 -0.03687 -0.12743 160 4PZ -0.00581 0.01405 0.02009 -0.00947 -0.04593 161 5PX -0.00317 -0.01993 -0.22224 0.34245 -0.01531 162 5PY -0.02754 0.03160 0.35676 0.15558 -0.05498 163 5PZ -0.00965 -0.00168 0.35296 0.02781 0.06774 164 9 O 1S 0.00236 -0.00379 -0.01645 0.00086 0.00300 165 2S -0.00582 0.01050 -0.00953 0.00012 -0.01569 166 3S -0.02365 0.03559 0.31142 -0.02170 -0.04138 167 4PX -0.05604 -0.01899 0.25961 0.23249 0.05774 168 4PY -0.01217 -0.03447 -0.43148 0.15497 -0.14935 169 4PZ -0.03586 0.05172 0.18744 0.03313 0.06557 170 5PX 0.09500 0.00089 -0.44282 -0.38450 -0.02613 171 5PY -0.00773 0.08886 0.73593 -0.26092 0.13397 172 5PZ 0.04713 -0.06484 -0.30818 -0.05272 -0.11033 131 132 133 134 135 V V V V V EIGENVALUES -- 0.68238 0.68615 0.68903 0.71667 0.73070 1 1 Cu 1S 0.11927 -0.12718 -0.05044 -0.00254 0.00646 2 2S 0.20115 -0.18095 -0.07695 -0.04867 -0.02445 3 3S -2.71815 3.47158 1.12986 -0.80749 -0.52424 4 4PX 0.00139 -0.00428 0.00325 0.00157 0.00885 5 4PY 0.00882 -0.01468 -0.00728 0.00662 -0.00018 6 4PZ -0.00883 0.00596 0.00136 -0.00812 -0.00323 7 5PX -0.14883 0.62135 -0.12214 0.13038 -0.34675 8 5PY -0.59586 0.71169 0.35145 -0.18223 -0.17903 9 5PZ 0.53886 -0.37030 -0.34070 0.39841 -0.03716 10 6PX 0.13177 0.41745 0.00284 0.10659 0.00885 11 6PY -0.64158 0.25817 -0.11186 0.21321 0.00710 12 6PZ 0.25010 -0.02893 -0.34400 0.03320 -0.03978 13 7D 0 0.04284 0.08963 -0.04147 0.00212 0.06661 14 7D+1 0.01497 -0.06424 0.01260 0.14696 0.02375 15 7D-1 -0.07167 -0.11831 -0.02246 0.12000 0.13489 16 7D+2 -0.08918 -0.03988 0.08581 0.14421 0.08088 17 7D-2 -0.07012 0.05292 0.05963 -0.08105 -0.01834 18 8D 0 -0.06152 -0.13998 0.06869 -0.01535 -0.08424 19 8D+1 -0.00398 0.08600 -0.02381 -0.22723 -0.03578 20 8D-1 0.13434 0.15615 0.01862 -0.17905 -0.21522 21 8D+2 0.14995 0.06937 -0.13660 -0.20958 -0.11910 22 8D-2 0.08426 -0.04431 -0.09030 0.14126 0.01711 23 2 Cu 1S 0.01905 -0.00913 -0.01494 -0.05525 0.03041 24 2S 0.04732 0.03664 -0.05383 -0.07007 0.00085 25 3S -0.41557 0.68507 -0.41110 1.24483 -1.42798 26 4PX 0.00435 -0.01204 0.00875 -0.00583 0.01183 27 4PY -0.00093 -0.00923 0.00215 0.00442 -0.00022 28 4PZ 0.00262 -0.00500 0.00056 -0.00566 -0.00087 29 5PX -0.21832 0.44192 -0.17249 0.30994 -0.44682 30 5PY -0.10070 0.29285 0.19461 -0.17816 -0.25036 31 5PZ -0.00548 -0.06411 -0.10120 0.52137 -0.07158 32 6PX -0.24903 -0.26071 0.13834 0.12898 -0.11283 33 6PY -0.11393 0.24722 0.08940 -0.09613 0.07142 34 6PZ 0.05014 -0.14129 -0.01189 0.16646 0.04631 35 7D 0 -0.01354 -0.04171 0.03277 -0.03199 0.01427 36 7D+1 0.10990 0.14076 -0.05621 0.03728 -0.14465 37 7D-1 0.06743 -0.01745 -0.08137 -0.09032 -0.05643 38 7D+2 0.09453 0.13788 -0.11012 0.00397 -0.09764 39 7D-2 0.03222 -0.04388 0.00968 0.11027 -0.17000 40 8D 0 0.03865 0.04884 -0.05540 0.06083 -0.02163 41 8D+1 -0.15701 -0.22006 0.08052 -0.02939 0.22052 42 8D-1 -0.12677 0.03960 0.12223 0.13683 0.08279 43 8D+2 -0.15437 -0.19376 0.15788 -0.00012 0.15830 44 8D-2 -0.05635 0.05895 0.01000 -0.17576 0.24200 45 3 Cu 1S 0.12651 -0.00361 -0.03267 -0.09710 -0.00294 46 2S 0.24529 -0.01759 -0.09694 -0.10152 0.00057 47 3S -3.01005 -0.14062 -0.20927 2.76091 0.14994 48 4PX 0.00150 0.00448 0.00215 -0.00526 0.00895 49 4PY -0.00306 -0.00015 -0.00830 0.01075 0.00593 50 4PZ 0.00264 0.00316 0.00776 -0.01190 0.00047 51 5PX -0.15633 0.29851 -0.17672 0.20379 -0.38325 52 5PY 0.38484 0.24649 0.17960 -0.44325 -0.23449 53 5PZ -0.51871 -0.00053 -0.02576 0.76492 -0.00211 54 6PX -0.32096 0.25480 -0.02833 0.13889 -0.03014 55 6PY 0.69032 0.11285 -0.10063 -0.23692 -0.03730 56 6PZ -0.42302 0.08552 0.28788 0.06851 -0.01139 57 7D 0 0.09690 0.00830 -0.06787 0.09886 0.03680 58 7D+1 0.05154 0.07514 -0.04071 0.09469 0.08763 59 7D-1 -0.13574 0.06394 0.07418 -0.22043 0.02724 60 7D+2 -0.04010 0.02556 0.07066 0.01236 -0.02573 61 7D-2 -0.03944 0.00024 0.10650 0.06956 0.00594 62 8D 0 -0.16060 -0.00361 0.11136 -0.13532 -0.05843 63 8D+1 -0.09149 -0.07581 0.05819 -0.13637 -0.15044 64 8D-1 0.23726 -0.08150 -0.12481 0.32140 -0.04899 65 8D+2 0.06551 -0.01521 -0.10121 -0.01543 0.03315 66 8D-2 0.05999 -0.01379 -0.13977 -0.10064 -0.00130 67 4 Cu 1S 0.01286 0.02305 -0.01521 -0.04365 -0.03021 68 2S 0.03847 -0.01939 -0.03114 -0.06192 0.00279 69 3S -0.18979 -1.24389 -0.12907 0.81717 1.45215 70 4PX -0.00145 -0.01777 0.00024 -0.00162 0.00498 71 4PY -0.00382 -0.00734 -0.00381 0.00574 0.01126 72 4PZ 0.00129 0.00121 -0.00116 -0.00462 0.00193 73 5PX 0.16614 0.48589 -0.22792 0.00191 -0.43236 74 5PY 0.07934 0.35693 0.16589 -0.32806 -0.27267 75 5PZ 0.05089 0.06844 -0.15142 0.46820 0.03149 76 6PX 0.23163 0.02627 -0.11602 -0.02853 0.01026 77 6PY 0.07160 -0.29565 0.05562 -0.14195 -0.11386 78 6PZ 0.08054 0.04587 -0.12387 0.17390 -0.04402 79 7D 0 -0.06240 0.09051 0.02819 -0.00203 -0.07825 80 7D+1 -0.08874 0.06834 0.04805 0.09262 -0.07586 81 7D-1 -0.01849 0.07012 -0.07097 -0.06708 -0.06500 82 7D+2 0.01483 0.10267 -0.01655 0.06352 0.14607 83 7D-2 0.11754 -0.16962 -0.04361 0.01176 0.17934 84 8D 0 0.11095 -0.12540 -0.05031 0.00672 0.12066 85 8D+1 0.14337 -0.09461 -0.06763 -0.16009 0.11325 86 8D-1 0.00201 -0.11769 0.11584 0.07949 0.09607 87 8D+2 -0.02964 -0.13448 0.04241 -0.10812 -0.20404 88 8D-2 -0.18615 0.24351 0.06846 -0.01078 -0.27620 89 5 Cu 1S 0.12781 0.09542 -0.10526 -0.00009 -0.00231 90 2S 0.21651 0.13905 -0.15789 -0.05102 0.02279 91 3S -2.89940 -2.60075 2.64951 -0.91548 0.31642 92 4PX -0.00632 -0.00973 0.00933 -0.00588 0.00371 93 4PY 0.00452 0.00122 -0.00797 0.00262 0.00663 94 4PZ -0.00973 -0.00580 0.00456 -0.00967 0.00283 95 5PX 0.49012 0.71922 -0.52746 0.08518 -0.31771 96 5PY -0.28598 0.21753 0.27782 -0.20216 -0.23050 97 5PZ 0.63209 0.30986 -0.55834 0.38977 0.02696 98 6PX 0.45064 0.50113 -0.04570 -0.23324 -0.00087 99 6PY -0.51525 0.17693 -0.12835 0.05320 -0.00340 100 6PZ 0.29582 -0.01120 -0.41011 -0.03137 0.04971 101 7D 0 0.04461 -0.12645 0.02067 -0.06860 -0.03520 102 7D+1 0.01800 -0.05230 0.07386 -0.20494 0.11780 103 7D-1 -0.07298 0.05413 -0.02328 -0.00529 -0.04416 104 7D+2 -0.04063 -0.01726 0.02820 -0.10407 -0.00667 105 7D-2 -0.09571 0.05794 0.08275 0.13772 -0.05227 106 8D 0 -0.07374 0.19335 -0.02115 0.09737 0.03652 107 8D+1 -0.06338 0.05491 -0.08610 0.31747 -0.17888 108 8D-1 0.11750 -0.08181 0.02467 0.01296 0.07807 109 8D+2 0.04156 0.00306 -0.03306 0.16852 0.02458 110 8D-2 0.15365 -0.10609 -0.12309 -0.19577 0.08178 111 6 Cu 1S 0.00970 0.01094 0.06292 0.02279 -0.00043 112 2S 0.03805 0.01632 0.09259 0.00173 -0.00050 113 3S 4.23068 0.08230 -0.42453 -0.86060 0.02450 114 4PX 0.01052 -0.01897 0.00454 0.00829 0.00746 115 4PY -0.01442 -0.01229 -0.00164 -0.01238 0.00432 116 4PZ -0.02221 0.00050 0.01072 -0.02300 0.00003 117 5PX -0.31534 0.77835 -0.14517 0.22390 -0.26251 118 5PY 0.41380 0.49274 0.01798 -0.38996 -0.15536 119 5PZ 0.55344 -0.07790 -0.71055 0.38584 -0.00308 120 6PX -0.56344 -0.09609 -0.47408 0.27643 -0.35559 121 6PY 0.94914 0.19567 0.79895 -0.47721 -0.21251 122 6PZ -0.26976 -0.08334 -0.35763 0.48186 -0.01047 123 7D 0 -0.08109 0.00243 0.12220 -0.08275 -0.00119 124 7D+1 -0.00227 -0.16689 0.03604 0.00556 -0.00971 125 7D-1 0.03809 -0.10776 -0.00288 -0.00641 -0.00503 126 7D+2 0.00424 0.11666 0.01187 -0.03480 -0.01115 127 7D-2 0.01053 -0.03900 0.05767 -0.06661 0.00723 128 8D 0 0.14956 0.00130 -0.17319 0.14420 0.00101 129 8D+1 0.02106 0.26516 -0.07157 -0.02676 -0.00230 130 8D-1 -0.09131 0.17347 0.02539 0.03834 -0.00417 131 8D+2 0.00482 -0.15885 -0.01355 0.05207 0.05685 132 8D-2 0.01133 0.05206 -0.07328 0.09781 -0.03158 133 7 Cu 1S -0.15530 0.00530 0.06783 0.04988 -0.00032 134 2S -0.25162 0.00520 0.09095 0.06184 -0.00075 135 3S 5.01686 -0.25254 -2.60681 -2.06919 0.01032 136 4PX -0.00797 -0.00677 0.00667 -0.00349 0.01535 137 4PY 0.01346 -0.00557 -0.00830 0.00653 0.00926 138 4PZ 0.00918 -0.00031 -0.00100 -0.01730 0.00046 139 5PX 0.40229 0.57944 -0.42213 0.00803 -0.30127 140 5PY -0.70789 0.43431 0.49052 -0.04647 -0.18343 141 5PZ -0.34636 0.00116 -0.08148 0.69904 -0.00920 142 6PX 0.41901 0.38029 -0.25346 -0.08329 -0.25988 143 6PY -0.74074 0.25081 0.26027 0.12062 -0.15899 144 6PZ 0.15808 0.11406 0.49057 0.32323 -0.00927 145 7D 0 -0.00038 -0.00763 -0.01432 0.16493 -0.00748 146 7D+1 -0.07856 -0.02621 0.01301 -0.05360 -0.13087 147 7D-1 0.14232 -0.00615 -0.00718 0.07736 -0.08349 148 7D+2 0.01061 -0.07985 0.00057 0.02900 0.17569 149 7D-2 -0.00467 0.04591 -0.03672 0.04927 -0.08649 150 8D 0 -0.00150 0.01422 0.03805 -0.25083 0.01119 151 8D+1 0.13214 0.03074 -0.02962 0.07896 0.19157 152 8D-1 -0.23705 0.00445 0.02721 -0.11377 0.12139 153 8D+2 -0.01809 0.15477 -0.00253 -0.04408 -0.24932 154 8D-2 0.00877 -0.08699 0.06513 -0.07477 0.12212 155 8 C 1S 0.02861 0.00737 0.03275 -0.02891 -0.00015 156 2S 0.23554 0.00818 -0.00261 0.22299 0.00419 157 3S -0.13852 -0.00520 0.00914 -0.50986 -0.00378 158 4PX -0.27712 -0.00058 -0.18653 -0.03873 0.04701 159 4PY 0.45093 0.09496 0.29583 0.06222 0.02802 160 4PZ 0.04315 0.00204 0.00546 0.04181 0.00108 161 5PX 0.21321 -0.32865 0.40449 0.06077 -0.35726 162 5PY -0.31413 -0.36478 -0.56503 -0.10083 -0.21589 163 5PZ 0.08265 0.06015 0.40021 0.00710 -0.01156 164 9 O 1S -0.00413 0.00016 0.00120 0.00133 0.00005 165 2S 0.05749 0.00730 0.02679 -0.04741 0.00003 166 3S -0.03607 -0.03238 -0.15739 0.13767 0.00003 167 4PX -0.29624 -0.44759 -0.15349 0.09755 -0.38528 168 4PY 0.52775 -0.16161 0.34731 -0.16819 -0.23342 169 4PZ 0.08130 0.09647 0.62985 0.15139 -0.01302 170 5PX 0.25343 0.69233 0.07467 -0.18591 0.65600 171 5PY -0.48302 0.32962 -0.27977 0.31804 0.39555 172 5PZ -0.10914 -0.14783 -0.97746 -0.23909 0.02197 136 137 138 139 140 V V V V V EIGENVALUES -- 0.74730 0.79497 0.80285 0.85442 0.85962 1 1 Cu 1S 0.00714 0.01923 -0.01178 0.02825 0.05021 2 2S -0.02693 0.03774 -0.02759 0.02688 0.09059 3 3S -0.29487 -0.55796 0.14145 -1.48559 -1.11317 4 4PX 0.00402 0.00174 0.00117 0.01564 0.00879 5 4PY -0.00673 0.00341 -0.00214 -0.00135 0.00828 6 4PZ -0.00853 -0.00334 0.00317 -0.00716 0.00964 7 5PX 0.10498 -0.10114 0.15996 -0.07070 0.03048 8 5PY -0.23858 0.07885 -0.03729 -0.09266 -0.18517 9 5PZ 0.06290 0.25621 -0.06504 0.34543 0.18794 10 6PX -0.02953 0.12722 0.00626 -0.17524 -0.00713 11 6PY -0.15088 -0.07509 -0.00366 -0.07098 -0.26832 12 6PZ -0.06198 -0.06486 0.18312 0.26501 0.11487 13 7D 0 0.00988 0.05344 -0.13866 -0.05852 -0.16191 14 7D+1 -0.13272 -0.04381 0.01166 -0.02937 0.04463 15 7D-1 0.09175 -0.08625 -0.02009 -0.00316 -0.09199 16 7D+2 0.01404 0.17314 -0.05353 -0.00177 0.09734 17 7D-2 -0.09726 -0.00419 -0.07836 0.06359 0.04976 18 8D 0 -0.00393 -0.08995 0.22564 0.08587 0.26060 19 8D+1 0.18449 0.07709 -0.02591 0.03977 -0.08765 20 8D-1 -0.13011 0.14369 0.04643 0.01700 0.19816 21 8D+2 -0.00725 -0.28763 0.08506 0.01737 -0.17449 22 8D-2 0.15165 0.01727 0.14077 -0.08622 -0.07095 23 2 Cu 1S 0.01916 -0.01451 -0.03881 -0.03019 -0.09378 24 2S 0.02983 -0.02783 -0.06116 -0.07967 -0.14127 25 3S -0.02461 0.17921 1.21610 -0.14677 2.77481 26 4PX 0.00019 -0.00263 -0.01018 0.00945 -0.00876 27 4PY 0.00191 -0.00273 -0.00054 -0.00282 -0.00178 28 4PZ -0.00600 0.00449 0.00005 -0.01033 -0.00923 29 5PX 0.02271 0.07389 0.40241 -0.08384 0.53686 30 5PY -0.23287 -0.06969 -0.06013 0.04163 0.19321 31 5PZ 0.00837 0.12685 -0.05388 0.07076 0.17614 32 6PX -0.00935 -0.06719 -0.04446 -0.08056 0.51728 33 6PY 0.06762 -0.02658 0.22041 0.05327 0.20692 34 6PZ -0.06972 0.12472 0.15414 -0.03379 0.19899 35 7D 0 -0.07245 -0.07481 0.09790 -0.03049 -0.01262 36 7D+1 0.01573 0.09017 0.01027 -0.05076 -0.15027 37 7D-1 0.16002 0.00769 0.15714 0.13870 0.04023 38 7D+2 -0.01304 -0.11826 -0.08877 0.02007 0.05472 39 7D-2 -0.03873 -0.02044 0.02600 -0.01674 -0.10585 40 8D 0 0.11235 0.14323 -0.16819 0.04734 0.00606 41 8D+1 -0.02791 -0.13299 -0.01167 0.09057 0.26967 42 8D-1 -0.24641 -0.00651 -0.26019 -0.25630 -0.09200 43 8D+2 0.02783 0.20028 0.14960 -0.02738 -0.07998 44 8D-2 0.04693 0.02750 -0.03999 0.03764 0.20519 45 3 Cu 1S 0.02928 -0.04147 0.00452 0.04539 0.09555 46 2S 0.06300 -0.06049 0.00621 0.04382 0.16252 47 3S 0.00139 1.36870 -0.17288 -1.94806 -2.24051 48 4PX -0.00123 -0.00421 0.00792 0.00495 0.00095 49 4PY 0.00113 0.01114 0.00278 -0.01334 0.00594 50 4PZ -0.00252 -0.00472 0.00162 0.00106 0.01304 51 5PX 0.07570 0.18092 0.11586 -0.12012 -0.04945 52 5PY -0.09414 -0.35405 0.11782 0.28450 0.25125 53 5PZ -0.06765 0.22756 -0.00416 -0.28047 -0.40834 54 6PX -0.00692 -0.09068 0.10924 -0.06185 -0.05813 55 6PY -0.00459 0.13854 0.03964 0.20623 0.26507 56 6PZ -0.00032 0.24072 -0.01951 -0.46746 -0.34536 57 7D 0 0.15327 0.14759 -0.02414 0.07433 0.08777 58 7D+1 -0.04856 -0.07842 -0.02989 -0.00925 0.04910 59 7D-1 -0.00995 0.08933 -0.05195 -0.04880 -0.06482 60 7D+2 -0.06259 0.04790 0.12979 -0.03667 0.11974 61 7D-2 -0.09947 0.01635 -0.07945 -0.03715 0.12622 62 8D 0 -0.24319 -0.22985 0.04584 -0.13651 -0.13933 63 8D+1 0.07400 0.13397 0.07851 0.00894 -0.09731 64 8D-1 0.01839 -0.15258 0.10183 0.09563 0.14984 65 8D+2 0.09161 -0.07664 -0.20956 0.06259 -0.20577 66 8D-2 0.14599 -0.02433 0.12347 0.06428 -0.23143 67 4 Cu 1S 0.01728 -0.00713 0.03794 -0.03854 -0.05658 68 2S 0.02167 -0.01694 0.06252 -0.09283 -0.08361 69 3S -0.06733 -0.08608 -1.10479 0.04422 1.83050 70 4PX -0.00034 0.00133 -0.00647 0.00054 0.00110 71 4PY 0.00032 -0.00136 -0.00662 -0.00924 0.00927 72 4PZ -0.00631 0.00405 -0.00299 -0.00920 -0.01230 73 5PX 0.19874 0.02735 0.12481 -0.02251 -0.35482 74 5PY -0.14451 -0.03470 0.35645 0.05974 -0.19641 75 5PZ 0.02478 0.13483 0.10494 0.11478 -0.05865 76 6PX -0.02952 0.07419 0.15068 -0.05071 -0.35876 77 6PY 0.05996 0.00631 -0.15814 0.08184 -0.19980 78 6PZ -0.08501 0.10705 -0.15141 0.00682 0.05222 79 7D 0 -0.09798 -0.11084 -0.04024 -0.02239 0.04509 80 7D+1 -0.11229 -0.00059 0.16361 -0.09182 0.04537 81 7D-1 0.09130 -0.07984 -0.02901 0.11967 0.18826 82 7D+2 -0.01859 0.00940 -0.09434 -0.01101 -0.03369 83 7D-2 -0.04147 -0.08463 0.08714 -0.01001 0.01222 84 8D 0 0.15258 0.19573 0.07085 0.03653 -0.09773 85 8D+1 0.17172 -0.01753 -0.26650 0.16979 -0.04715 86 8D-1 -0.13586 0.12268 0.05188 -0.22381 -0.32020 87 8D+2 0.01190 -0.02052 0.15827 0.01684 0.08189 88 8D-2 0.06561 0.14502 -0.14891 0.03086 -0.01001 89 5 Cu 1S 0.00444 0.01969 0.00684 0.04976 -0.00643 90 2S -0.03472 0.04088 0.01782 0.06506 -0.00482 91 3S -0.26582 -0.49894 -0.04628 -1.96327 0.36696 92 4PX 0.00523 -0.00315 -0.00035 -0.00613 -0.01030 93 4PY -0.00740 0.00099 0.00197 -0.01200 -0.00827 94 4PZ -0.00890 -0.00374 -0.00202 -0.01134 0.01035 95 5PX 0.13568 -0.05784 0.04315 0.12533 -0.13955 96 5PY -0.20841 0.12709 0.13028 -0.02185 -0.13441 97 5PZ 0.05671 0.25883 0.04703 0.42075 0.00275 98 6PX 0.15204 -0.00418 0.02662 0.16532 -0.01281 99 6PY -0.09309 -0.12058 0.04750 0.05965 -0.04428 100 6PZ -0.04633 -0.11984 -0.15620 0.37184 -0.08516 101 7D 0 0.04394 0.10616 0.11447 -0.03558 -0.13534 102 7D+1 -0.03721 0.06376 -0.04814 0.06389 0.09216 103 7D-1 0.15767 0.02152 0.00667 -0.00695 0.09322 104 7D+2 -0.07402 -0.07263 0.07017 0.05573 -0.03815 105 7D-2 -0.04356 0.16263 0.05630 0.04044 0.07609 106 8D 0 -0.05062 -0.17756 -0.18647 0.05303 0.21134 107 8D+1 0.05543 -0.10456 0.08413 -0.10918 -0.16048 108 8D-1 -0.22000 -0.04070 -0.02232 0.03354 -0.13515 109 8D+2 0.11112 0.12845 -0.13059 -0.08345 0.10501 110 8D-2 0.07690 -0.26415 -0.09282 -0.05561 -0.11859 111 6 Cu 1S 0.05036 -0.03503 0.00041 -0.10442 0.02501 112 2S 0.15481 -0.05554 0.00094 -0.18023 0.04755 113 3S -1.86585 0.82593 -0.01844 4.44470 -1.13935 114 4PX -0.03520 -0.00132 -0.02248 0.01226 -0.00272 115 4PY 0.05622 0.00367 -0.01350 -0.01996 0.00497 116 4PZ 0.03906 -0.02877 -0.00080 -0.01040 0.00082 117 5PX 0.09152 0.31711 0.93650 0.43545 -0.14819 118 5PY -0.14420 -0.57440 0.56385 -0.68586 0.22604 119 5PZ -0.24968 0.87964 0.03106 -0.38777 0.17982 120 6PX 0.08715 -0.15793 -0.15225 -0.06951 0.01833 121 6PY -0.12882 0.26294 -0.09167 0.07978 0.02411 122 6PZ -0.32179 -0.00646 -0.00676 0.74002 -0.21916 123 7D 0 0.01920 0.19127 0.00676 -0.02751 -0.14196 124 7D+1 0.00503 -0.02829 0.11335 0.04306 0.01266 125 7D-1 -0.00832 0.03545 0.07332 -0.05043 0.18361 126 7D+2 0.00274 0.04893 -0.13050 0.05861 0.13502 127 7D-2 0.00650 0.08852 0.06406 0.10744 0.10157 128 8D 0 0.01069 -0.31265 -0.01109 0.01949 0.27268 129 8D+1 0.01176 0.03389 -0.18642 -0.14095 -0.00501 130 8D-1 -0.01966 -0.03905 -0.12093 0.19185 -0.37337 131 8D+2 0.02846 -0.08887 0.21834 -0.16443 -0.24192 132 8D-2 0.05513 -0.16272 -0.10686 -0.31433 -0.15719 133 7 Cu 1S -0.04246 0.03707 0.00049 -0.02473 0.01245 134 2S -0.00922 0.03928 0.00080 -0.00511 0.00463 135 3S 2.18787 -1.12731 -0.01723 2.04077 -0.77781 136 4PX -0.00793 0.00665 0.01159 -0.00315 0.00110 137 4PY 0.01315 -0.01157 0.00703 0.00496 -0.00457 138 4PZ 0.00285 0.00458 0.00028 0.00800 -0.00149 139 5PX 0.26790 -0.20250 -0.23555 0.23772 -0.07493 140 5PY -0.43016 0.34119 -0.13980 -0.37531 0.19920 141 5PZ -0.33903 -0.04460 -0.00494 -0.38550 0.11127 142 6PX 0.22257 0.11337 0.56771 0.15397 -0.07951 143 6PY -0.37334 -0.22477 0.34635 -0.22784 0.02104 144 6PZ 0.08801 0.61552 0.01945 -0.34351 0.17439 145 7D 0 0.10848 0.17679 0.00640 0.00691 0.04408 146 7D+1 0.02854 -0.04206 0.10303 0.04399 -0.02061 147 7D-1 -0.04839 0.05793 0.06767 -0.07794 -0.00724 148 7D+2 0.06425 0.04244 -0.13594 0.04805 -0.03417 149 7D-2 0.12288 0.07686 0.06753 0.10815 -0.06290 150 8D 0 -0.15135 -0.25331 -0.00946 0.00357 -0.05191 151 8D+1 -0.05378 0.05818 -0.15388 -0.08851 0.03253 152 8D-1 0.08894 -0.07926 -0.10065 0.15181 -0.02312 153 8D+2 -0.09823 -0.05636 0.18824 -0.09518 0.04004 154 8D-2 -0.18845 -0.10168 -0.09312 -0.20988 0.09501 155 8 C 1S 0.04561 0.01024 0.00022 -0.04326 0.01453 156 2S -0.93679 0.28587 -0.00404 1.46172 -0.41863 157 3S 1.16089 -0.45110 0.00553 -2.86964 0.85130 158 4PX 0.02848 0.03473 0.03623 0.16905 -0.04995 159 4PY -0.04063 -0.05771 0.02256 -0.27109 0.08362 160 4PZ -0.12158 -0.00256 0.00110 -0.11298 0.02441 161 5PX -0.08955 -0.09893 -0.78754 0.15957 -0.02886 162 5PY 0.11712 0.21070 -0.47768 -0.27514 0.11671 163 5PZ 0.60946 -0.75642 -0.02671 0.06327 -0.07409 164 9 O 1S -0.00992 -0.00574 -0.00002 0.01018 -0.00450 165 2S 0.02669 0.07935 -0.00008 0.02743 0.00770 166 3S -0.07945 0.00081 -0.00031 0.07801 -0.03345 167 4PX -0.01152 -0.06946 -0.38018 0.16207 -0.03848 168 4PY 0.00292 0.13483 -0.22933 -0.28240 0.11602 169 4PZ 0.32876 -0.29493 -0.01276 0.19555 -0.08599 170 5PX -0.06904 0.17546 0.79315 -0.04250 -0.00892 171 5PY 0.14257 -0.33250 0.48039 0.10056 -0.09455 172 5PZ -0.58788 0.64314 0.02693 -0.39513 0.18448 141 142 143 144 145 V V V V V EIGENVALUES -- 0.86169 0.86747 0.87056 0.87939 0.88075 1 1 Cu 1S -0.10118 0.10552 0.06370 -0.04978 0.04102 2 2S -0.16419 0.17836 0.10007 -0.06413 0.03321 3 3S 2.78444 -2.48131 -1.30875 0.92404 -1.19183 4 4PX 0.00477 0.00061 0.01526 0.00443 0.00597 5 4PY -0.00977 -0.00048 0.00383 -0.00833 0.00453 6 4PZ 0.00898 -0.01374 0.00409 0.00567 -0.00918 7 5PX 0.30880 -0.22192 -0.02731 0.10284 -0.25434 8 5PY 0.42652 -0.35837 -0.21935 0.20348 -0.21415 9 5PZ -0.26935 0.30704 0.27788 -0.23589 0.23863 10 6PX 0.15374 -0.34319 0.09233 0.39194 0.28711 11 6PY 0.45747 -0.31763 -0.08855 -0.10479 0.19276 12 6PZ -0.36170 0.22254 0.16949 0.31251 0.22794 13 7D 0 -0.04031 0.05972 0.06369 0.06817 0.04119 14 7D+1 -0.19556 -0.02273 -0.06799 0.14592 -0.15827 15 7D-1 0.13157 -0.12305 0.06059 -0.11826 -0.00368 16 7D+2 0.05593 0.13720 -0.01467 0.10969 -0.11989 17 7D-2 -0.07644 0.05767 0.11237 -0.02866 -0.19971 18 8D 0 0.05894 -0.08465 -0.13576 -0.10611 -0.04998 19 8D+1 0.34006 0.02594 0.09944 -0.25712 0.29016 20 8D-1 -0.24352 0.24002 -0.08468 0.20460 -0.00432 21 8D+2 -0.08214 -0.23510 0.04042 -0.19573 0.20473 22 8D-2 0.18077 -0.12273 -0.18978 0.04438 0.34478 23 2 Cu 1S 0.05432 -0.03420 -0.10015 -0.07366 -0.00746 24 2S 0.08884 -0.06967 -0.16583 -0.08728 -0.01260 25 3S -1.23609 0.83585 2.43391 1.75098 -0.33808 26 4PX 0.00320 -0.00267 -0.01062 -0.01419 0.00219 27 4PY 0.01479 -0.00504 0.00634 0.00172 -0.01127 28 4PZ -0.00895 0.01099 -0.00176 -0.00432 0.00238 29 5PX -0.21953 0.08174 0.48039 0.56880 0.02058 30 5PY 0.03028 -0.04967 0.20897 0.05350 -0.00768 31 5PZ -0.24612 0.14315 0.06726 0.13959 0.00528 32 6PX -0.20659 0.29478 0.45180 -0.00063 -0.26499 33 6PY -0.00573 -0.01942 -0.05738 0.03626 -0.45284 34 6PZ -0.08081 0.08727 0.30125 -0.27008 0.29498 35 7D 0 0.03454 0.14293 -0.06955 0.13707 -0.03351 36 7D+1 -0.09290 -0.00623 -0.07239 0.08064 -0.06440 37 7D-1 0.01890 0.17119 0.12096 -0.20663 -0.11842 38 7D+2 0.03456 0.02525 -0.15310 -0.04398 0.01525 39 7D-2 0.15328 -0.05034 0.04453 0.08927 0.11283 40 8D 0 -0.08842 -0.24134 0.11459 -0.24278 0.05034 41 8D+1 0.12428 0.05133 0.12536 -0.13000 0.10267 42 8D-1 -0.01866 -0.31034 -0.22261 0.36598 0.21269 43 8D+2 -0.08083 -0.04601 0.27355 0.07613 -0.02420 44 8D-2 -0.24434 0.07699 -0.02840 -0.15843 -0.20303 45 3 Cu 1S 0.02245 -0.00352 0.08341 0.01198 -0.11162 46 2S 0.03985 -0.01000 0.15990 0.01591 -0.15777 47 3S -0.46199 0.05061 -1.95048 -0.31389 2.45903 48 4PX -0.01749 0.00992 0.00335 0.00736 -0.00348 49 4PY -0.00674 0.00461 -0.00512 0.00156 0.01089 50 4PZ 0.00132 0.00133 -0.00079 0.00164 -0.01150 51 5PX -0.13592 0.14149 -0.04686 -0.06008 0.20809 52 5PY -0.01763 0.08279 0.17163 0.04006 -0.50762 53 5PZ -0.10300 0.01689 -0.25164 -0.06419 0.52956 54 6PX -0.12773 -0.09425 -0.18104 0.50892 0.14679 55 6PY -0.00416 -0.08399 0.36807 0.30105 -0.13545 56 6PZ -0.06918 0.00463 -0.41683 0.05541 -0.08457 57 7D 0 0.01465 0.05496 -0.15203 -0.02569 0.00008 58 7D+1 -0.02783 0.16758 0.16583 -0.10808 0.03078 59 7D-1 -0.01199 0.11792 -0.16975 -0.04404 -0.02429 60 7D+2 -0.10244 -0.06523 0.06595 -0.10097 0.10710 61 7D-2 0.12481 -0.01326 0.14564 0.05519 0.19195 62 8D 0 -0.02907 -0.09138 0.25629 0.04063 0.00663 63 8D+1 0.00663 -0.26657 -0.30449 0.17399 -0.04761 64 8D-1 0.01138 -0.19968 0.32603 0.07226 0.02565 65 8D+2 0.16620 0.14660 -0.12431 0.16982 -0.18773 66 8D-2 -0.20570 0.00009 -0.28016 -0.09143 -0.33343 67 4 Cu 1S -0.08711 0.04989 -0.10003 0.06857 0.00823 68 2S -0.13309 0.09166 -0.16242 0.07829 0.00617 69 3S 2.39636 -1.30648 2.39789 -1.56005 -0.73831 70 4PX 0.01443 -0.00415 0.00099 -0.00838 0.00597 71 4PY -0.00126 -0.00128 0.01296 -0.01076 -0.01136 72 4PZ 0.00699 -0.01249 -0.00247 0.00093 0.00288 73 5PX -0.35058 0.12513 -0.46034 0.35389 0.07612 74 5PY -0.36149 0.16902 -0.28843 0.42494 0.08022 75 5PZ 0.20450 -0.11236 -0.05711 -0.02595 -0.00630 76 6PX -0.35418 0.19134 -0.23254 -0.11747 0.44883 77 6PY -0.30604 0.34871 -0.37398 -0.04719 -0.05988 78 6PZ 0.06450 -0.09969 0.19816 0.19081 0.43073 79 7D 0 -0.04317 -0.09773 -0.07570 -0.14406 -0.02380 80 7D+1 -0.02750 0.16818 0.00379 -0.13413 0.14360 81 7D-1 -0.00901 -0.09338 0.07723 0.21505 0.02805 82 7D+2 -0.17345 -0.00429 0.11745 -0.06303 0.05354 83 7D-2 -0.06858 0.01745 -0.14312 -0.03450 0.03590 84 8D 0 0.08478 0.17510 0.13048 0.26013 0.03835 85 8D+1 0.03799 -0.28074 0.01664 0.24351 -0.24678 86 8D-1 -0.02316 0.20068 -0.13376 -0.37415 -0.03409 87 8D+2 0.28084 0.00935 -0.16398 0.11308 -0.09901 88 8D-2 0.14583 -0.03655 0.27302 0.06244 -0.06456 89 5 Cu 1S 0.10747 -0.11446 0.04429 0.04225 0.04832 90 2S 0.18175 -0.19314 0.06806 0.05612 0.04308 91 3S -2.76081 2.57442 -0.88727 -0.79205 -1.27258 92 4PX -0.00912 -0.00044 -0.01248 -0.00263 -0.00601 93 4PY 0.00911 0.00020 -0.01095 0.00781 0.00074 94 4PZ -0.00299 0.01210 0.00329 -0.00443 -0.01062 95 5PX 0.43385 -0.38004 0.08172 0.12973 0.28850 96 5PY -0.07695 0.06807 -0.11909 -0.07124 0.05308 97 5PZ 0.37178 -0.40247 0.22388 0.23048 0.33195 98 6PX 0.43402 -0.37032 -0.08218 0.25253 -0.32217 99 6PY -0.22315 -0.03075 -0.17468 0.43213 -0.06796 100 6PZ 0.39957 -0.30943 0.13310 -0.24632 0.08647 101 7D 0 -0.07077 -0.10354 0.05756 -0.04719 0.06400 102 7D+1 0.05631 -0.09923 -0.02787 -0.00254 0.02258 103 7D-1 -0.24039 0.01629 0.06127 0.15021 0.12151 104 7D+2 0.04780 0.01484 0.11855 0.12003 -0.11684 105 7D-2 0.07837 -0.13526 -0.00546 -0.08029 -0.23916 106 8D 0 0.11777 0.16547 -0.12235 0.06608 -0.09778 107 8D+1 -0.12764 0.19693 0.05435 0.00958 -0.04415 108 8D-1 0.43467 -0.05447 -0.07731 -0.25422 -0.23372 109 8D+2 -0.10279 -0.00984 -0.20114 -0.20529 0.20148 110 8D-2 -0.16688 0.24272 0.02069 0.14775 0.41660 111 6 Cu 1S 0.00974 -0.00389 0.00732 -0.00022 -0.01680 112 2S 0.01861 -0.00783 0.01918 -0.00066 -0.01896 113 3S -0.48136 0.21614 -0.40494 -0.00239 0.87889 114 4PX -0.00136 0.00500 -0.00181 -0.01919 -0.00720 115 4PY 0.00149 0.00078 0.00658 -0.01161 0.01231 116 4PZ -0.00002 0.00117 -0.00457 -0.00084 -0.01424 117 5PX -0.07506 -0.21419 -0.02595 0.94601 0.52635 118 5PY 0.10789 -0.13082 -0.14787 0.55701 -0.88747 119 5PZ 0.08046 -0.09944 0.34124 0.03360 0.58072 120 6PX -0.05121 0.08388 0.01021 0.31622 0.09190 121 6PY -0.01814 0.04102 0.01812 0.19281 -0.18023 122 6PZ -0.09904 0.05444 -0.09315 0.01067 0.48259 123 7D 0 -0.07686 -0.02660 0.07242 -0.00093 0.07596 124 7D+1 -0.20658 -0.08980 -0.02289 0.00862 -0.02402 125 7D-1 -0.04147 -0.04907 -0.01995 0.01270 0.03158 126 7D+2 -0.08701 -0.02733 -0.01878 -0.13471 0.05041 127 7D-2 0.13084 0.03542 -0.02397 0.07408 0.10104 128 8D 0 0.14670 0.03512 -0.08861 0.00411 -0.11860 129 8D+1 0.39720 0.12384 0.04343 0.00468 0.01267 130 8D-1 0.06389 0.07805 0.00605 -0.01033 -0.00511 131 8D+2 0.18098 0.03627 0.02709 0.21238 -0.09182 132 8D-2 -0.23974 -0.05723 0.03979 -0.12035 -0.19041 133 7 Cu 1S 0.00614 -0.00288 0.00770 -0.00006 -0.00242 134 2S 0.00188 -0.00110 0.00391 -0.00022 0.01207 135 3S -0.37338 0.16372 -0.38137 -0.00344 0.53472 136 4PX 0.00407 -0.00105 0.00087 0.00025 -0.00158 137 4PY -0.00033 0.00022 -0.00157 0.00003 0.00270 138 4PZ -0.00056 0.00076 -0.00197 0.00006 0.00204 139 5PX -0.15082 -0.09564 -0.02732 0.48912 0.25335 140 5PY 0.03670 -0.07099 -0.05868 0.29256 -0.43023 141 5PZ 0.04141 -0.07033 0.23714 0.01897 0.31658 142 6PX 0.09291 -0.03658 -0.03457 -0.19595 -0.03174 143 6PY 0.08333 -0.04142 0.04190 -0.11904 0.07439 144 6PZ 0.09224 -0.02694 0.03039 -0.00586 -0.30533 145 7D 0 0.01981 0.05322 -0.14695 -0.00141 0.04780 146 7D+1 0.01972 0.21136 -0.00381 0.04258 0.05084 147 7D-1 0.01937 0.07724 0.13957 0.02677 -0.10006 148 7D+2 -0.01892 0.11775 0.10586 0.06402 -0.03377 149 7D-2 -0.02225 -0.11513 0.10894 -0.02986 -0.05038 150 8D 0 -0.01897 -0.09077 0.24924 0.00178 -0.13045 151 8D+1 0.01043 -0.37236 0.01595 -0.09818 -0.08678 152 8D-1 -0.02299 -0.13080 -0.26081 -0.06386 0.17694 153 8D+2 0.04523 -0.21859 -0.20117 -0.06936 0.04618 154 8D-2 0.01950 0.21180 -0.20588 0.02884 0.06035 155 8 C 1S 0.00626 -0.00303 0.00811 0.00006 0.00062 156 2S -0.17982 0.07466 -0.14984 0.00370 0.38641 157 3S 0.37707 -0.15079 0.28231 -0.00968 -0.99768 158 4PX -0.02106 0.00535 -0.01146 0.00367 0.06105 159 4PY 0.03584 -0.01283 0.01925 0.00131 -0.09739 160 4PZ 0.01278 -0.00386 -0.00111 -0.00027 -0.06462 161 5PX -0.09175 0.12747 -0.01361 -0.45922 -0.04805 162 5PY 0.00524 0.04001 0.10988 -0.27907 0.08925 163 5PZ -0.04353 0.03990 -0.12993 -0.02165 -0.32666 164 9 O 1S -0.00203 0.00109 -0.00364 -0.00007 -0.00445 165 2S 0.00507 -0.00471 0.02141 0.00097 0.05525 166 3S -0.01782 0.00781 -0.01419 -0.00028 0.06842 167 4PX -0.07928 0.08131 -0.01142 -0.10299 0.02206 168 4PY 0.01496 0.02084 0.06246 -0.06188 -0.04149 169 4PZ -0.04599 0.03056 -0.07441 -0.00590 0.01781 170 5PX 0.12427 -0.15208 -0.00669 0.28807 0.01918 171 5PY 0.02896 -0.06507 -0.08323 0.17260 -0.02519 172 5PZ 0.09697 -0.06371 0.16453 0.01524 0.04745 146 147 148 149 150 V V V V V EIGENVALUES -- 0.97843 0.97913 0.98758 1.04296 1.04403 1 1 Cu 1S -0.01265 -0.00184 -0.00898 -0.04330 -0.13053 2 2S -0.02729 -0.01113 -0.03442 -0.10047 -0.28333 3 3S 0.14589 0.01488 0.08403 0.37036 1.42006 4 4PX -0.00673 0.00640 -0.00505 0.00668 -0.00586 5 4PY 0.01056 -0.01091 0.00891 -0.00311 -0.01128 6 4PZ 0.00889 -0.01072 0.00348 0.00551 0.00433 7 5PX 0.06088 -0.19309 -0.35933 -0.04644 0.08314 8 5PY -0.04928 0.22065 0.32468 0.05154 0.19254 9 5PZ -0.05830 0.24919 0.38388 -0.03663 -0.12809 10 6PX -0.00092 -0.02747 -0.19777 -0.03078 0.11499 11 6PY 0.04133 0.02035 0.13699 0.10532 0.23299 12 6PZ 0.03262 -0.00002 0.12220 -0.07993 -0.16547 13 7D 0 0.10044 0.19434 0.04687 -0.05031 0.02145 14 7D+1 0.08212 -0.03397 -0.12287 -0.01444 0.06246 15 7D-1 0.10138 0.09416 -0.00666 0.11901 0.18108 16 7D+2 -0.13343 0.02032 0.11568 0.05735 0.07947 17 7D-2 0.11813 0.09303 -0.04830 0.02316 -0.15059 18 8D 0 -0.22026 -0.39432 -0.13218 0.09663 -0.03979 19 8D+1 -0.15632 0.06924 0.29064 0.03380 -0.10302 20 8D-1 -0.20716 -0.18903 0.02022 -0.24553 -0.38502 21 8D+2 0.25846 -0.03959 -0.28051 -0.10854 -0.14579 22 8D-2 -0.24245 -0.19575 0.08408 -0.03874 0.31810 23 2 Cu 1S -0.00373 0.00084 0.02586 0.11450 0.08345 24 2S -0.00763 -0.01374 0.01778 0.24764 0.17766 25 3S 0.09129 -0.13242 -0.67489 -1.26840 -0.97871 26 4PX -0.01001 -0.00097 0.00858 0.00999 0.00691 27 4PY 0.01561 0.00798 0.00417 0.00742 -0.00225 28 4PZ 0.01350 0.00617 0.00230 0.00105 0.00847 29 5PX 0.08284 -0.20329 -0.63700 -0.20040 -0.15586 30 5PY -0.08915 0.11910 0.43934 -0.11206 -0.01017 31 5PZ -0.08981 0.08069 0.24023 -0.02348 -0.11140 32 6PX -0.04110 -0.03131 -0.09946 -0.25121 -0.18056 33 6PY 0.05230 0.05165 0.09576 -0.11689 0.03187 34 6PZ 0.03417 0.00457 -0.08792 -0.04716 -0.08687 35 7D 0 -0.06037 0.18178 -0.15533 -0.09379 0.00020 36 7D+1 0.08316 -0.12013 -0.03090 0.08144 0.14847 37 7D-1 0.02460 0.02568 -0.06832 0.01756 0.00503 38 7D+2 -0.10301 0.16258 0.08599 0.12231 0.09580 39 7D-2 0.01770 0.02724 -0.14475 0.15170 0.01250 40 8D 0 0.13477 -0.35916 0.34113 0.18693 -0.00232 41 8D+1 -0.15716 0.25455 0.07075 -0.17377 -0.30426 42 8D-1 -0.03778 -0.03887 0.16038 -0.00774 0.00827 43 8D+2 0.19144 -0.35790 -0.22081 -0.24871 -0.19324 44 8D-2 -0.01832 -0.04045 0.32309 -0.31786 -0.03784 45 3 Cu 1S -0.00006 0.00648 0.03555 -0.15196 0.00597 46 2S -0.00106 -0.00025 0.03350 -0.32279 0.01221 47 3S -0.01361 -0.09869 -0.80741 1.76428 -0.07531 48 4PX 0.00048 -0.00994 0.00428 -0.00222 0.00802 49 4PY -0.00135 0.01478 -0.01012 0.00781 0.00386 50 4PZ -0.00076 0.01703 0.00697 -0.01305 0.00147 51 5PX 0.00764 -0.07796 -0.43399 0.05388 -0.08489 52 5PY 0.03171 0.14733 0.77892 -0.17412 -0.03600 53 5PZ 0.00937 -0.02107 0.10623 0.27634 -0.02356 54 6PX 0.01479 -0.03245 0.00311 0.08868 -0.07580 55 6PY 0.00187 0.04487 -0.01421 -0.22794 -0.02702 56 6PZ -0.00078 0.02994 -0.10125 0.23570 -0.01383 57 7D 0 0.02423 0.01848 -0.17579 -0.12650 0.02221 58 7D+1 0.14657 0.00453 0.05113 -0.08116 0.09176 59 7D-1 0.10641 0.00420 -0.07303 0.21837 0.03154 60 7D+2 -0.22508 -0.02122 -0.08265 0.04463 0.04836 61 7D-2 0.12373 -0.00693 -0.12484 0.01675 -0.04607 62 8D 0 -0.05063 0.00540 0.39444 0.25037 -0.04440 63 8D+1 -0.29887 -0.02416 -0.12229 0.17890 -0.18324 64 8D-1 -0.21732 0.00842 0.17497 -0.46001 -0.06200 65 8D+2 0.46090 0.06154 0.18919 -0.07489 -0.09561 66 8D-2 -0.25417 0.03686 0.28025 -0.00698 0.08976 67 4 Cu 1S 0.00631 -0.00195 0.02068 0.10802 -0.08945 68 2S 0.01229 -0.01888 0.00962 0.23454 -0.19043 69 3S -0.11872 -0.09694 -0.57657 -1.17994 1.04961 70 4PX 0.01004 -0.00574 -0.00849 -0.01145 0.00419 71 4PY -0.01630 0.00314 -0.00286 -0.00323 0.00804 72 4PZ -0.01404 0.00368 0.00092 -0.00181 -0.00716 73 5PX -0.05160 -0.01827 -0.08079 0.19291 -0.12706 74 5PY 0.13847 0.23086 0.71255 0.08827 -0.13822 75 5PZ 0.10628 0.11390 0.29430 0.02817 0.06959 76 6PX 0.02699 -0.03011 -0.02980 0.23973 -0.10690 77 6PY -0.05519 0.05484 0.17577 0.12633 -0.17950 78 6PZ -0.04046 0.00568 -0.05978 0.00886 0.05239 79 7D 0 0.05436 0.21588 -0.12965 -0.10702 0.05025 80 7D+1 0.04844 -0.00360 0.08473 0.01238 0.07267 81 7D-1 0.05324 0.11989 0.02998 -0.01234 0.09207 82 7D+2 -0.06998 -0.03492 -0.17493 0.09948 0.01240 83 7D-2 0.05776 0.14172 0.00427 0.17010 -0.13278 84 8D 0 -0.11555 -0.43548 0.28075 0.21243 -0.09733 85 8D+1 -0.08254 -0.00685 -0.19633 -0.04294 -0.13067 86 8D-1 -0.09917 -0.25064 -0.06907 0.04694 -0.20105 87 8D+2 0.11753 0.09506 0.40571 -0.20430 -0.01697 88 8D-2 -0.11049 -0.30439 -0.03776 -0.35154 0.27461 89 5 Cu 1S 0.01033 -0.00114 -0.01527 -0.03577 0.13259 90 2S 0.02175 -0.00832 -0.04456 -0.08345 0.28993 91 3S -0.11804 0.03870 0.22926 0.30129 -1.41070 92 4PX 0.00541 0.00822 -0.00526 -0.00277 -0.01141 93 4PY -0.00882 -0.01164 0.00902 -0.00757 0.00277 94 4PZ -0.00735 -0.01107 0.00495 0.00424 -0.00619 95 5PX -0.01749 -0.13546 -0.17532 -0.00444 0.17773 96 5PY 0.07795 0.26373 0.42864 0.06410 -0.05831 97 5PZ 0.06481 0.25608 0.38163 -0.02590 0.14734 98 6PX 0.03393 -0.00669 -0.06069 -0.03951 0.23044 99 6PY -0.00790 0.02929 0.22254 0.08247 -0.06260 100 6PZ -0.02162 0.00533 0.15157 -0.07294 0.20596 101 7D 0 -0.06496 0.17337 0.08874 -0.05735 0.03326 102 7D+1 0.14137 -0.08314 0.03007 -0.05130 0.21298 103 7D-1 0.05957 0.05555 0.10740 0.09243 -0.07769 104 7D+2 -0.19811 0.07921 -0.07614 0.03181 0.12615 105 7D-2 0.06009 0.05413 0.05611 0.05081 -0.03000 106 8D 0 0.14653 -0.35084 -0.23217 0.11061 -0.06679 107 8D+1 -0.28828 0.16589 -0.07729 0.10844 -0.43613 108 8D-1 -0.11464 -0.11001 -0.24912 -0.18930 0.18350 109 8D+2 0.40143 -0.16659 0.16143 -0.06083 -0.25920 110 8D-2 -0.11439 -0.10967 -0.15325 -0.09342 0.03625 111 6 Cu 1S 0.00042 0.01211 0.01297 0.00500 -0.00141 112 2S 0.00794 0.18607 0.41749 0.01998 -0.00499 113 3S 0.09315 2.10233 5.91310 0.11228 -0.02302 114 4PX 0.01453 0.01338 0.02953 -0.00020 0.00070 115 4PY 0.00749 -0.02336 -0.04711 0.00079 0.00027 116 4PZ 0.00014 -0.00299 -0.05001 -0.00128 0.00010 117 5PX 0.04272 -0.56030 -1.48103 0.00710 -0.04124 118 5PY 0.07825 0.88389 2.36205 -0.04794 -0.01685 119 5PZ 0.03207 0.70102 1.60144 0.07701 -0.01457 120 6PX -0.04134 -0.05580 -0.09458 0.00525 -0.11083 121 6PY -0.01975 0.08947 0.13829 -0.07890 -0.04919 122 6PZ 0.00480 0.12818 0.51992 0.12464 -0.02893 123 7D 0 0.00949 0.14158 -0.04647 -0.10997 0.03368 124 7D+1 0.08987 -0.03853 0.02572 -0.01493 0.15740 125 7D-1 0.06162 0.04692 -0.03969 0.11544 0.06112 126 7D+2 -0.12596 0.03529 -0.00745 0.09925 0.10384 127 7D-2 0.06563 0.05383 -0.01180 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5PZ -0.00092 -0.32028 1.23693 0.05122 0.26810 54 6PX 0.00146 -0.03679 0.04272 -0.22963 0.05369 55 6PY 0.00118 0.07245 -0.07194 -0.13783 -0.10467 56 6PZ 0.00008 -0.10518 0.33861 0.02051 -0.07951 57 7D 0 -0.02570 -0.01792 -0.03613 0.03070 -0.08028 58 7D+1 -0.11428 0.10533 -0.08732 0.15518 -0.01059 59 7D-1 -0.08481 -0.17538 0.11824 0.09366 0.00639 60 7D+2 0.17525 0.00195 -0.01869 0.10791 -0.06710 61 7D-2 -0.10107 0.03870 -0.01904 -0.10213 -0.09165 62 8D 0 0.05513 0.03940 0.08525 -0.09027 0.18626 63 8D+1 0.24508 -0.23782 0.23730 -0.44646 0.03257 64 8D-1 0.18191 0.39570 -0.30342 -0.26173 -0.00972 65 8D+2 -0.37612 0.00199 0.06528 -0.30343 0.18380 66 8D-2 0.21687 -0.07590 0.06617 0.29119 0.24852 67 4 Cu 1S -0.00205 0.04703 -0.02434 -0.12390 0.05134 68 2S -0.00398 0.10426 -0.01276 -0.03281 0.10195 69 3S 0.03057 -0.50966 0.72714 3.93822 -0.08082 70 4PX 0.00037 -0.00581 0.00642 0.03944 0.00391 71 4PY 0.00003 -0.00680 0.00613 0.03405 -0.00686 72 4PZ -0.00041 -0.00040 0.00399 -0.00667 -0.01215 73 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4PY -0.00009 -0.00372 0.00675 -0.00534 -0.00660 94 4PZ -0.00026 -0.00305 -0.03185 0.01980 -0.01609 95 5PX 0.00288 -0.00194 0.63174 -1.21312 0.07318 96 5PY -0.00120 0.14471 -0.64724 -0.66684 -0.11084 97 5PZ 0.00339 0.00140 1.22935 -0.07833 0.34648 98 6PX 0.00270 0.09513 0.16875 -0.28715 0.09557 99 6PY -0.00324 -0.01391 -0.23061 -0.08616 0.05114 100 6PZ 0.00565 -0.00735 0.17793 0.02434 0.14819 101 7D 0 -0.10026 0.06731 0.09911 0.09636 0.03890 102 7D+1 0.13804 0.11068 0.11422 -0.09870 0.00713 103 7D-1 0.03781 -0.04284 -0.14553 -0.07844 -0.02723 104 7D+2 -0.18791 0.05230 0.00788 -0.13584 -0.02419 105 7D-2 0.02477 0.08737 0.01378 -0.09697 0.02804 106 8D 0 0.21556 -0.15673 -0.25885 -0.28152 -0.09126 107 8D+1 -0.29588 -0.25513 -0.27688 0.25818 -0.01976 108 8D-1 -0.08060 0.07229 0.39773 0.22695 0.09819 109 8D+2 0.40363 -0.12265 -0.00073 0.38070 0.06031 110 8D-2 -0.05356 -0.18222 -0.03716 0.28055 -0.07044 111 6 Cu 1S -0.00005 0.02262 0.07615 0.00254 -0.02690 112 2S -0.00021 0.14906 0.21748 0.00631 -0.09666 113 3S -0.00152 0.37581 -0.32541 -0.00983 1.46851 114 4PX 0.00027 -0.00367 0.01385 -0.02954 0.00242 115 4PY 0.00015 0.00596 -0.02082 -0.01893 -0.00436 116 4PZ 0.00005 -0.00484 0.01923 0.00035 0.02430 117 5PX -0.00333 -0.56881 0.11515 -0.78671 -0.32032 118 5PY -0.00218 0.91338 -0.15725 -0.48967 0.52442 119 5PZ -0.00069 0.47790 1.05365 0.02426 0.03684 120 6PX -0.00203 -0.01395 0.15927 -0.21234 0.08770 121 6PY -0.00088 0.03240 -0.24720 -0.14764 -0.15371 122 6PZ -0.00075 -0.21278 0.09392 0.00049 0.36796 123 7D 0 0.00121 0.00012 -0.15621 -0.00239 0.01494 124 7D+1 0.00517 0.06248 0.08161 0.09048 -0.19233 125 7D-1 0.00244 -0.09877 -0.13361 0.05343 0.30401 126 7D+2 -0.00007 0.03612 -0.01403 -0.14396 -0.08952 127 7D-2 -0.00115 0.07567 -0.03387 0.06735 -0.18985 128 8D 0 -0.00251 0.00342 0.46424 0.00723 -0.03015 129 8D+1 -0.01084 -0.11355 -0.20585 -0.27086 0.48436 130 8D-1 -0.00517 0.17890 0.33870 -0.16218 -0.76545 131 8D+2 0.00050 -0.06238 0.06052 0.43026 0.22403 132 8D-2 0.00221 -0.13145 0.14045 -0.20028 0.47559 133 7 Cu 1S 0.00001 -0.12725 -0.07926 -0.00231 0.07878 134 2S 0.00008 -0.31417 -0.20809 -0.00556 0.15426 135 3S 0.00037 0.88582 0.09390 0.00949 -0.43449 136 4PX -0.00036 -0.01121 0.01266 -0.02538 -0.00670 137 4PY -0.00019 0.01801 -0.01909 -0.01632 0.01055 138 4PZ -0.00002 0.00709 0.01837 0.00033 0.01802 139 5PX -0.00051 -0.01312 0.28095 -0.99109 0.07682 140 5PY -0.00052 0.02761 -0.40644 -0.63459 -0.11791 141 5PZ -0.00020 -0.19510 1.01228 0.01494 0.14146 142 6PX -0.00114 -0.00511 0.30325 -0.74135 -0.10505 143 6PY -0.00103 0.01046 -0.44926 -0.47709 0.17194 144 6PZ 0.00021 -0.09971 0.63421 0.00622 0.20353 145 7D 0 0.00125 -0.01174 0.11499 0.00151 -0.00393 146 7D+1 0.00557 0.13138 -0.04277 -0.06782 0.11951 147 7D-1 0.00257 -0.20762 0.06935 -0.04202 -0.18929 148 7D+2 0.00115 0.07197 0.01683 0.10788 0.06746 149 7D-2 -0.00177 0.15171 0.04153 -0.04999 0.14384 150 8D 0 -0.00245 0.03823 -0.34862 -0.00460 -0.00748 151 8D+1 -0.01085 -0.28114 0.11702 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-0.12138 0.18655 0.18658 0.07406 172 5PZ 0.00035 -0.02584 -0.17385 -0.00094 -0.03080 156 157 158 159 160 V V V V V EIGENVALUES -- 1.24953 1.24973 1.27945 1.28299 1.32907 1 1 Cu 1S -0.00083 -0.02824 -0.00135 -0.00029 0.02051 2 2S -0.00692 -0.07023 -0.00633 -0.00097 0.10239 3 3S -0.16193 -0.45005 0.00273 0.12442 0.74610 4 4PX -0.01410 0.01957 -0.00259 0.01333 0.01516 5 4PY 0.00069 0.00914 -0.00895 -0.02322 -0.00736 6 4PZ -0.01962 -0.01712 -0.01061 -0.01134 0.02110 7 5PX 0.02817 -0.28786 -0.03628 -0.23507 -0.19283 8 5PY -0.03954 -0.17230 0.15651 0.44988 0.46926 9 5PZ 0.19284 0.33292 0.13865 0.21703 -0.44719 10 6PX -0.05884 0.09950 0.02315 0.14435 0.56408 11 6PY -0.02655 -0.03540 -0.08981 -0.21899 -0.20711 12 6PZ -0.06586 -0.05885 -0.08245 -0.15580 0.25264 13 7D 0 0.05043 0.05905 0.06318 0.13272 -0.05797 14 7D+1 -0.06067 -0.26557 -0.01420 -0.03124 0.03597 15 7D-1 -0.03584 -0.05175 -0.01326 0.01106 0.07289 16 7D+2 -0.03355 -0.09664 0.07697 0.22090 0.12978 17 7D-2 -0.02317 0.03183 -0.01177 0.03170 0.07133 18 8D 0 -0.12126 -0.15028 -0.17399 -0.34690 0.15044 19 8D+1 0.15888 0.68259 0.03214 0.07974 -0.13796 20 8D-1 0.09245 0.12918 0.02574 -0.02784 -0.20000 21 8D+2 0.08398 0.25355 -0.19816 -0.59059 -0.40581 22 8D-2 0.05993 -0.07951 0.01842 -0.07982 -0.20872 23 2 Cu 1S -0.00254 0.02810 -0.00467 0.00006 0.03388 24 2S -0.01012 0.07003 -0.01225 -0.00755 0.15985 25 3S -0.18120 0.41064 -0.11388 -0.16398 1.21879 26 4PX 0.00788 -0.02622 -0.00711 -0.00173 -0.01699 27 4PY -0.01586 -0.00306 0.01577 0.01873 0.00513 28 4PZ 0.01620 0.00435 0.02138 0.00498 -0.01534 29 5PX -0.16370 0.46954 0.11932 0.02498 0.63143 30 5PY 0.08372 -0.00224 -0.36391 -0.28493 0.20255 31 5PZ -0.08985 -0.01542 -0.33892 -0.18720 0.51392 32 6PX 0.01244 -0.09179 -0.10702 -0.07032 0.07443 33 6PY -0.07527 0.03699 0.17632 0.12721 -0.08269 34 6PZ 0.05276 0.08971 0.17892 0.07927 -0.43373 35 7D 0 -0.02669 0.13269 0.06224 0.01282 0.00856 36 7D+1 0.03422 -0.00956 0.10364 0.05290 -0.09984 37 7D-1 0.06672 -0.17866 0.15035 0.10605 -0.12780 38 7D+2 0.06705 -0.18810 -0.08710 -0.05661 -0.05877 39 7D-2 -0.04555 0.03710 0.10397 0.08396 0.01008 40 8D 0 0.06637 -0.34403 -0.15326 -0.04686 -0.03643 41 8D+1 -0.08158 0.02503 -0.27435 -0.13790 0.28655 42 8D-1 -0.17475 0.46638 -0.39751 -0.28345 0.43239 43 8D+2 -0.17411 0.48220 0.23331 0.13918 0.17538 44 8D-2 0.10917 -0.09858 -0.27438 -0.22293 -0.02639 45 3 Cu 1S 0.02948 -0.01875 0.00381 0.00031 -0.00392 46 2S 0.07206 -0.04611 0.01671 -0.00073 -0.01819 47 3S 0.35581 -0.24262 0.20628 -0.02454 -0.14129 48 4PX 0.00415 0.02249 0.01136 -0.01024 0.02761 49 4PY 0.02256 -0.00225 -0.01692 -0.00437 0.01296 50 4PZ -0.01045 0.00981 -0.02472 0.00038 0.00481 51 5PX 0.06723 -0.19333 -0.22031 0.05028 -0.41025 52 5PY -0.32340 0.15278 0.29425 0.01033 -0.16900 53 5PZ 0.20867 -0.15273 0.47395 -0.02532 -0.12430 54 6PX -0.00641 0.08862 0.13764 -0.05741 0.60742 55 6PY 0.09976 -0.02559 -0.21559 -0.01562 0.34521 56 6PZ 0.02125 -0.00693 -0.19391 0.00249 0.09993 57 7D 0 -0.06890 0.05379 -0.26614 0.01074 0.03342 58 7D+1 0.01944 0.02966 0.06850 -0.02721 0.11138 59 7D-1 0.08724 -0.03975 -0.03538 -0.00977 0.04333 60 7D+2 0.14663 -0.07218 -0.03166 -0.00539 0.06935 61 7D-2 0.17248 -0.14499 -0.03593 0.00745 -0.07506 62 8D 0 0.17724 -0.13861 0.70143 -0.03152 -0.09784 63 8D+1 -0.05123 -0.07373 -0.18132 0.05731 -0.30718 64 8D-1 -0.22114 0.09980 0.09079 0.01711 -0.12128 65 8D+2 -0.37364 0.19371 0.08155 0.02433 -0.18660 66 8D-2 -0.44964 0.37062 0.09174 -0.02388 0.21139 67 4 Cu 1S -0.02445 -0.00699 -0.00434 0.00003 -0.03513 68 2S -0.06422 -0.01437 -0.00838 0.00714 -0.16690 69 3S -0.46489 0.01876 -0.06938 0.17124 -1.26266 70 4PX -0.01263 -0.01108 -0.01072 0.01635 -0.01104 71 4PY -0.02476 0.00825 0.01163 -0.01285 -0.01682 72 4PZ -0.00331 -0.01898 0.01989 -0.00583 0.00775 73 5PX 0.25110 0.05908 0.24997 -0.28505 0.68122 74 5PY 0.43060 -0.02544 -0.25314 0.19630 0.43188 75 5PZ 0.08139 0.11875 -0.29721 0.19272 -0.31407 76 6PX 0.01561 -0.04351 -0.10972 0.09288 -0.18742 77 6PY -0.09867 0.02047 0.15041 -0.13913 0.12296 78 6PZ -0.07308 -0.10019 0.16945 -0.10054 0.33338 79 7D 0 -0.16010 -0.01664 0.00457 0.02122 -0.06977 80 7D+1 -0.11974 0.02707 -0.15852 0.11736 -0.14076 81 7D-1 0.15563 0.03360 -0.02472 -0.00152 0.02972 82 7D+2 -0.08287 0.02044 0.14343 -0.13645 0.01713 83 7D-2 0.15830 0.01046 -0.02165 0.01492 0.07126 84 8D 0 0.41351 0.04842 0.00043 -0.04518 0.22316 85 8D+1 0.31192 -0.06585 0.41644 -0.31516 0.45690 86 8D-1 -0.40539 -0.08268 0.06448 0.00765 -0.12583 87 8D+2 0.20983 -0.04603 -0.37952 0.35941 -0.06221 88 8D-2 -0.40538 -0.02367 0.06131 -0.03000 -0.20944 89 5 Cu 1S 0.02917 0.01415 -0.00225 0.00185 -0.01465 90 2S 0.06827 0.03768 -0.00679 0.00604 -0.07512 91 3S 0.32628 0.30414 0.01151 -0.11327 -0.55555 92 4PX 0.01759 -0.00416 0.00923 -0.01469 0.01058 93 4PY 0.01366 -0.00951 0.00070 0.02281 0.02095 94 4PZ 0.01328 0.02301 -0.00734 0.01251 -0.01769 95 5PX -0.21332 -0.07860 -0.11466 0.29029 0.05819 96 5PY -0.12221 0.01104 0.05078 -0.43105 -0.47152 97 5PZ -0.29602 -0.30925 0.09912 -0.23391 0.38903 98 6PX 0.03555 -0.04855 0.05793 -0.13794 0.27375 99 6PY 0.10445 0.00565 -0.03576 0.23482 0.62622 100 6PZ 0.06000 0.07674 -0.05919 0.16713 -0.21155 101 7D 0 -0.11140 -0.11805 0.05045 -0.14527 0.07877 102 7D+1 -0.13335 -0.09508 -0.00222 0.02265 0.02078 103 7D-1 -0.13333 -0.06933 0.00086 -0.05269 -0.06591 104 7D+2 -0.05024 -0.00506 -0.03640 0.05020 -0.05089 105 7D-2 0.09949 0.09341 0.04216 -0.21585 -0.13293 106 8D 0 0.28732 0.29579 -0.13809 0.38049 -0.21767 107 8D+1 0.33796 0.24698 0.01577 -0.06081 -0.07158 108 8D-1 0.34300 0.18335 -0.00079 0.13836 0.16500 109 8D+2 0.12976 0.01225 0.08056 -0.13754 0.13716 110 8D-2 -0.26197 -0.24089 -0.11145 0.57610 0.41043 111 6 Cu 1S -0.00461 0.00198 0.00467 -0.00076 0.00013 112 2S -0.01617 0.00718 0.01128 -0.00191 -0.00013 113 3S 0.14268 -0.04198 -0.07946 0.01207 -0.01122 114 4PX 0.00051 -0.00074 -0.00065 -0.00056 -0.02098 115 4PY -0.00164 0.00011 0.00051 -0.00047 -0.01289 116 4PZ 0.00221 -0.00066 0.00029 0.00006 -0.00035 117 5PX -0.01655 0.02895 0.01643 -0.01625 0.95596 118 5PY 0.05145 0.00360 -0.02983 -0.00230 0.57650 119 5PZ -0.00748 0.00418 0.00381 -0.00912 0.01594 120 6PX -0.01409 -0.03357 0.00280 0.01600 0.22271 121 6PY -0.00628 -0.02468 -0.00945 0.00886 0.13110 122 6PZ 0.00729 0.00130 -0.00614 0.00634 0.01071 123 7D 0 0.13590 -0.04488 -0.09562 0.02911 -0.00375 124 7D+1 0.10534 0.14991 0.00106 0.11351 -0.09906 125 7D-1 -0.03636 0.12852 0.08080 0.04756 -0.06389 126 7D+2 -0.02934 0.16961 0.07485 0.05854 0.13671 127 7D-2 -0.19540 -0.00965 0.08773 -0.06195 -0.06788 128 8D 0 -0.37626 0.12492 0.27112 -0.08262 0.01081 129 8D+1 -0.29648 -0.41383 -0.00193 -0.32317 0.28607 130 8D-1 0.10833 -0.35932 -0.23106 -0.13503 0.18484 131 8D+2 0.07960 -0.46999 -0.21178 -0.16619 -0.39855 132 8D-2 0.53691 0.02849 -0.24743 0.17559 0.19755 133 7 Cu 1S 0.00630 -0.00179 -0.00719 0.00055 -0.00115 134 2S 0.01218 -0.00357 -0.01464 0.00097 -0.00243 135 3S -0.03501 0.00695 0.05161 -0.00637 0.00768 136 4PX -0.00056 0.00004 -0.00007 0.00069 -0.03628 137 4PY 0.00109 -0.00054 0.00059 0.00019 -0.02186 138 4PZ 0.00078 -0.00019 -0.00140 0.00022 -0.00127 139 5PX -0.00127 -0.00902 0.00162 -0.03140 1.51639 140 5PY -0.00905 -0.00125 -0.02377 -0.01243 0.91173 141 5PZ 0.01123 -0.00315 0.01885 -0.00577 0.05085 142 6PX -0.00266 0.01088 0.00477 -0.02465 -0.93307 143 6PY 0.01636 0.00239 -0.01874 -0.00819 -0.56199 144 6PZ 0.01680 -0.00588 -0.00235 -0.00548 -0.03512 145 7D 0 0.05647 -0.02406 0.17522 -0.05773 0.01046 146 7D+1 0.04922 0.04564 0.00407 -0.23286 0.17719 147 7D-1 -0.04419 0.05897 -0.15550 -0.09316 0.11655 148 7D+2 -0.01023 0.05527 -0.13425 -0.12586 -0.26586 149 7D-2 -0.05359 -0.00091 -0.15493 0.13203 0.13365 150 8D 0 -0.15424 0.06519 -0.48278 0.16083 -0.03005 151 8D+1 -0.13151 -0.12591 -0.01329 0.65185 -0.50566 152 8D-1 0.11499 -0.15906 0.43375 0.25991 -0.33265 153 8D+2 0.02913 -0.15334 0.37369 0.35435 0.76076 154 8D-2 0.15096 0.00219 0.43065 -0.37144 -0.38254 155 8 C 1S -0.00429 0.00161 0.00097 -0.00010 -0.00004 156 2S 0.04713 -0.01817 -0.02285 0.00540 0.00160 157 3S -0.03163 0.01367 -0.00494 -0.00224 -0.00626 158 4PX -0.01384 0.02818 0.00472 0.01312 0.06134 159 4PY 0.04052 -0.00026 0.00167 0.00636 0.03860 160 4PZ 0.03463 -0.01290 -0.01738 0.00363 0.00179 161 5PX 0.00358 0.00117 -0.00638 -0.02427 -0.17970 162 5PY -0.00328 0.00459 -0.00692 -0.01430 -0.11283 163 5PZ 0.01292 -0.00306 0.01612 -0.00494 -0.00543 164 9 O 1S 0.00042 -0.00021 0.00059 -0.00011 0.00003 165 2S -0.01094 0.00423 -0.01307 0.00283 -0.00074 166 3S 0.03134 -0.01110 0.01917 -0.00419 0.00145 167 4PX -0.00134 -0.00118 -0.00227 -0.00593 -0.01437 168 4PY 0.00225 -0.00163 -0.00303 -0.00368 -0.00873 169 4PZ -0.00403 0.00240 0.00818 -0.00097 -0.00024 170 5PX -0.01281 -0.00433 -0.00123 0.01609 0.04122 171 5PY 0.01159 -0.00938 0.01624 0.00577 0.02667 172 5PZ -0.00575 0.00018 -0.01258 0.00172 0.00115 161 162 163 164 165 V V V V V EIGENVALUES -- 1.33125 1.34158 1.34352 1.35271 1.64131 1 1 Cu 1S -0.00089 0.01221 0.00249 0.00466 -0.11268 2 2S -0.05997 0.04279 0.00755 -0.04395 -0.23277 3 3S -0.80430 0.10567 0.02016 -0.82171 -0.37988 4 4PX 0.01920 0.00320 -0.01264 0.01937 0.00620 5 4PY 0.00867 0.00045 -0.00112 0.00349 0.00478 6 4PZ 0.00303 0.00935 -0.00783 -0.00520 0.00014 7 5PX -0.23623 0.14602 1.36473 -0.64669 -0.25109 8 5PY -0.64371 -0.39440 0.06346 0.17826 -0.20691 9 5PZ -0.08261 -0.58980 0.86732 0.53881 0.05398 10 6PX 0.18645 0.00009 -2.33241 0.43717 0.25154 11 6PY 0.35712 0.28149 -0.11547 -0.20105 0.29456 12 6PZ 0.47270 0.50801 -1.52784 -0.09928 0.03131 13 7D 0 -0.11589 -0.11748 0.13609 0.07627 -0.01664 14 7D+1 -0.06003 0.10370 0.07778 -0.15834 -0.05542 15 7D-1 0.00812 0.03174 -0.09220 0.02889 0.00194 16 7D+2 -0.09159 -0.08482 -0.06898 0.07107 -0.01739 17 7D-2 0.05133 0.04100 -0.15471 0.05787 0.02204 18 8D 0 0.33850 0.36188 -0.42636 -0.23009 0.05845 19 8D+1 0.19292 -0.31256 -0.24407 0.48719 0.17652 20 8D-1 -0.02577 -0.08697 0.29008 -0.08057 -0.01210 21 8D+2 0.31423 0.25276 0.21532 -0.20355 0.06001 22 8D-2 -0.13547 -0.11558 0.48496 -0.15891 -0.06682 23 2 Cu 1S 0.02514 0.00578 -0.00488 0.01927 -0.31470 24 2S 0.08262 0.03963 -0.01113 0.05534 -0.64956 25 3S 0.37291 0.55693 0.02817 0.08936 0.40054 26 4PX -0.00736 -0.00934 0.00118 -0.00349 0.00464 27 4PY -0.01961 0.00573 0.01151 -0.01433 -0.00723 28 4PZ 0.01333 -0.00006 -0.01162 0.01098 0.00403 29 5PX 0.19619 0.61293 -0.10588 0.27066 -0.22862 30 5PY 0.49056 -0.56413 -1.14355 0.04686 0.01083 31 5PZ -0.00060 -0.47249 1.17031 -0.32133 -0.33248 32 6PX 0.00902 -0.30767 0.20922 -0.23252 0.12916 33 6PY -0.58347 0.34761 1.92424 -0.15930 -0.24289 34 6PZ 0.26178 0.41001 -2.03716 0.39427 0.22900 35 7D 0 0.03913 0.08013 -0.10660 0.10235 -0.00568 36 7D+1 0.03755 0.08834 -0.15515 0.06516 0.04585 37 7D-1 -0.07806 0.04454 0.00887 -0.00138 0.01947 38 7D+2 0.00308 -0.15381 -0.03703 -0.04407 0.03456 39 7D-2 -0.12358 0.12465 0.16878 -0.01874 -0.01961 40 8D 0 -0.11449 -0.25063 0.33302 -0.29573 0.00784 41 8D+1 -0.09443 -0.26781 0.48597 -0.19807 -0.15280 42 8D-1 0.24946 -0.13139 -0.02844 0.01506 -0.05406 43 8D+2 -0.01206 0.46177 0.11429 0.14362 -0.10140 44 8D-2 0.34357 -0.37678 -0.52613 0.03843 0.05696 45 3 Cu 1S 0.04952 0.00038 0.00074 0.01112 -0.38310 46 2S 0.18655 -0.00171 0.00157 0.07724 -0.78295 47 3S 1.02609 -0.08280 -0.00603 1.00692 0.93973 48 4PX -0.00030 0.00731 0.01546 -0.00215 0.00213 49 4PY 0.00910 0.00244 0.00814 0.01054 -0.00203 50 4PZ -0.01676 0.00077 0.00178 -0.00813 -0.00228 51 5PX -0.10032 -0.11602 -1.45912 0.41595 0.00798 52 5PY -0.07605 0.05958 -0.76383 -0.85223 0.00262 53 5PZ 0.92227 0.03686 -0.16803 -0.05161 -0.29994 54 6PX 0.27226 0.05323 2.47981 -0.18011 0.11828 55 6PY -0.31332 -0.03881 1.30752 0.41592 -0.14519 56 6PZ -0.42745 -0.04115 0.29055 0.19822 -0.06511 57 7D 0 -0.19339 -0.01151 0.03677 0.11167 0.02438 58 7D+1 0.03567 0.04733 0.19188 -0.02916 0.01262 59 7D-1 0.03236 0.01823 0.08320 0.07606 -0.03322 60 7D+2 0.02790 -0.02231 0.11166 0.11034 -0.01462 61 7D-2 0.02371 -0.01342 -0.10484 0.13939 -0.01985 62 8D 0 0.59908 0.03764 -0.11438 -0.33489 -0.07803 63 8D+1 -0.12302 -0.12887 -0.59667 0.08128 -0.04330 64 8D-1 -0.07847 -0.04625 -0.25847 -0.21840 0.10553 65 8D+2 -0.09830 0.05740 -0.34832 -0.34721 0.03475 66 8D-2 -0.10199 0.04542 0.32641 -0.44392 0.04604 67 4 Cu 1S 0.01925 -0.01210 0.00341 0.01897 -0.29129 68 2S 0.05578 -0.05486 0.00739 0.04136 -0.60190 69 3S 0.18959 -0.51281 -0.02745 -0.16134 0.27950 70 4PX 0.01572 -0.00137 0.00772 0.01058 0.00228 71 4PY -0.00866 -0.01085 -0.00677 -0.01012 -0.00872 72 4PZ 0.01835 -0.00256 0.01261 0.01339 0.00455 73 5PX -0.36487 -0.22487 -0.77625 -0.12919 0.16515 74 5PY 0.12481 0.81182 0.68103 0.04860 0.24643 75 5PZ -0.18543 0.58328 -1.27128 -0.30410 -0.29176 76 6PX 0.36941 0.18487 1.31152 0.23603 0.05620 77 6PY -0.29883 -0.45022 -1.12190 -0.03150 -0.26644 78 6PZ 0.40232 -0.47980 2.21415 0.41946 0.26579 79 7D 0 0.02688 -0.05352 0.04738 0.06011 -0.02185 80 7D+1 -0.02699 0.09421 -0.13580 -0.06283 -0.04350 81 7D-1 -0.08190 0.10113 -0.13214 -0.05850 -0.01699 82 7D+2 -0.10877 -0.19016 -0.16393 -0.03715 -0.02834 83 7D-2 -0.02509 0.07768 0.00846 -0.00912 0.03093 84 8D 0 -0.08511 0.16590 -0.14816 -0.16829 0.06163 85 8D+1 0.05859 -0.28467 0.42455 0.17671 0.13918 86 8D-1 0.23267 -0.30936 0.41416 0.18036 0.06590 87 8D+2 0.30410 0.57353 0.51072 0.09436 0.08353 88 8D-2 0.06695 -0.23238 -0.02580 0.03102 -0.09431 89 5 Cu 1S -0.00029 -0.01102 -0.00191 0.00046 -0.08040 90 2S -0.06548 -0.03634 -0.00554 -0.06005 -0.16464 91 3S -0.91021 -0.06273 -0.01225 -0.85188 -0.47108 92 4PX -0.01664 0.00439 -0.00921 -0.01136 -0.00677 93 4PY -0.00793 0.00460 -0.01046 -0.01087 -0.00086 94 4PZ -0.00374 -0.00745 0.00547 -0.01152 -0.00116 95 5PX 0.71242 -0.30143 0.95924 0.06925 0.25382 96 5PY -0.27855 0.14924 1.15493 0.60136 0.05451 97 5PZ 0.05186 0.44677 -0.60418 0.74022 0.11997 98 6PX -0.45288 0.28773 -1.64988 -0.00913 -0.36241 99 6PY 0.13830 -0.01238 -1.98335 -0.45727 0.01799 100 6PZ 0.39110 -0.38664 1.06097 -0.24952 -0.05921 101 7D 0 -0.08921 0.11318 -0.11536 0.14665 0.00542 102 7D+1 0.07009 0.02965 0.04184 0.05490 0.03252 103 7D-1 0.03524 0.03820 0.14429 0.14706 0.03974 104 7D+2 0.07570 -0.07234 0.13076 0.01720 0.02123 105 7D-2 -0.11107 0.02557 0.09436 0.05325 -0.02521 106 8D 0 0.26048 -0.34711 0.36093 -0.44608 -0.01212 107 8D+1 -0.21078 -0.08029 -0.13026 -0.17097 -0.09961 108 8D-1 -0.11270 -0.11698 -0.45269 -0.44956 -0.13155 109 8D+2 -0.22634 0.20558 -0.41034 -0.04299 -0.06663 110 8D-2 0.38166 -0.07704 -0.29500 -0.14257 0.08758 111 6 Cu 1S -0.01884 0.00069 -0.00004 0.00101 0.33541 112 2S -0.05330 0.00131 -0.00011 -0.00470 0.77436 113 3S 0.13743 -0.00648 -0.00331 0.97670 -1.01839 114 4PX 0.00103 -0.06292 -0.00350 -0.02071 0.00460 115 4PY -0.00020 -0.03895 -0.00231 0.03573 -0.00618 116 4PZ 0.00438 -0.00149 0.00010 -0.06254 -0.02035 117 5PX 0.10751 1.83907 0.09761 0.74037 0.15973 118 5PY -0.23675 1.12542 0.06507 -1.26726 -0.29849 119 5PZ 0.16149 0.03850 -0.00402 1.89080 0.35732 120 6PX 0.17410 -0.82592 -0.04095 -0.29594 0.28067 121 6PY -0.29391 -0.51059 -0.02832 0.50113 -0.47179 122 6PZ 0.50799 -0.01275 0.00213 -0.54358 0.28192 123 7D 0 -0.05349 -0.00657 0.00084 -0.30577 0.04409 124 7D+1 0.00103 -0.16932 -0.00827 0.02313 -0.00980 125 7D-1 0.00578 -0.10838 -0.00544 -0.02614 0.01501 126 7D+2 -0.02487 0.22597 0.01329 -0.09831 0.01359 127 7D-2 -0.04155 -0.11122 -0.00615 -0.19397 0.02664 128 8D 0 0.15445 0.01910 -0.00249 0.89072 -0.15942 129 8D+1 -0.00967 0.49132 0.02416 -0.08822 0.02099 130 8D-1 -0.00603 0.31470 0.01575 0.10908 -0.03153 131 8D+2 0.06844 -0.66169 -0.03859 0.27716 -0.05950 132 8D-2 0.11270 0.32518 0.01790 0.54548 -0.11748 133 7 Cu 1S -0.02213 0.00133 -0.00010 0.03257 0.18326 134 2S -0.05718 0.00354 -0.00019 0.06618 0.46872 135 3S 0.00377 0.00442 0.00039 -0.12310 0.86123 136 4PX -0.01387 0.03037 0.00131 0.00486 -0.01406 137 4PY 0.02468 0.01918 0.00095 -0.00854 0.02208 138 4PZ -0.04385 0.00048 -0.00015 0.01756 0.02000 139 5PX 0.57595 -0.97135 -0.04651 -0.12424 0.38312 140 5PY -1.01955 -0.61163 -0.03253 0.21612 -0.60272 141 5PZ 1.68781 -0.01279 0.00362 -0.36684 -0.55312 142 6PX -0.40458 0.89542 0.04559 0.14327 -0.01907 143 6PY 0.70785 0.55627 0.03125 -0.25047 0.03859 144 6PZ -1.12756 0.01051 -0.00332 0.53426 -0.29186 145 7D 0 0.33652 -0.00148 0.00036 -0.05353 -0.00811 146 7D+1 -0.06830 -0.10107 -0.00672 0.02719 0.00780 147 7D-1 0.09578 -0.06446 -0.00340 -0.04228 -0.01147 148 7D+2 0.09738 0.14387 0.00598 -0.00418 0.00073 149 7D-2 0.18093 -0.06860 -0.00189 -0.00493 0.00210 150 8D 0 -0.96509 0.00459 -0.00095 0.16107 0.02852 151 8D+1 0.19788 0.29533 0.02011 -0.07567 -0.02342 152 8D-1 -0.27824 0.18841 0.01025 0.11771 0.03428 153 8D+2 -0.27986 -0.42567 -0.01771 0.01810 -0.00011 154 8D-2 -0.52049 0.20324 0.00559 0.02629 -0.00251 155 8 C 1S -0.00347 -0.00009 0.00004 -0.01138 -0.02481 156 2S 0.09788 0.00100 -0.00099 0.37576 -0.00435 157 3S -0.15385 -0.00320 0.00221 -0.70259 -2.21103 158 4PX -0.01995 0.08371 0.00497 -0.06765 -0.19838 159 4PY 0.02801 0.05340 0.00260 0.10621 0.32304 160 4PZ 0.04405 0.00265 -0.00026 0.15378 0.06363 161 5PX 0.01856 -0.36674 -0.02011 -0.05761 -0.39306 162 5PY -0.01616 -0.22688 -0.01294 0.10559 0.67033 163 5PZ -0.05639 -0.01099 0.00043 -0.41448 -0.37432 164 9 O 1S -0.00184 0.00004 -0.00001 -0.00076 0.07282 165 2S 0.02694 -0.00110 0.00032 -0.00915 -1.71369 166 3S -0.01295 0.00180 -0.00102 0.17527 3.27247 167 4PX 0.00074 -0.02964 -0.00177 -0.00903 0.00240 168 4PY 0.00060 -0.01759 -0.00110 0.01476 -0.00099 169 4PZ -0.00435 -0.00132 -0.00014 -0.01852 -0.05313 170 5PX -0.00539 0.10141 0.00603 0.00301 -0.52054 171 5PY 0.00413 0.06348 0.00350 -0.00446 0.83952 172 5PZ 0.00428 0.00445 0.00032 0.05735 0.34255 166 167 168 169 170 V V V V V EIGENVALUES -- 1.80125 1.80529 1.82098 2.17805 2.24311 1 1 Cu 1S -0.50261 0.06878 -0.84699 0.74092 0.72229 2 2S -1.05118 0.15912 -1.79319 1.39801 1.36215 3 3S 0.14190 -0.01138 0.62306 -2.40569 -2.22414 4 4PX -0.00308 0.00242 0.01393 -0.00929 0.02357 5 4PY 0.01829 -0.00251 0.02600 0.01648 0.02045 6 4PZ -0.00839 0.01038 -0.01910 -0.02823 -0.00345 7 5PX -0.15263 -0.22044 -0.56799 0.36629 -0.20154 8 5PY -0.72966 0.08609 -1.05686 0.00746 -0.11052 9 5PZ 0.74654 -0.22445 0.76917 0.18052 -0.24430 10 6PX -0.14294 -0.01425 0.14421 -0.86814 0.96381 11 6PY 0.22286 -0.06820 0.40725 -0.11405 -0.03011 12 6PZ -0.14935 0.10641 -0.33434 -0.83909 0.24944 13 7D 0 0.00537 -0.04737 -0.01854 0.03930 -0.03376 14 7D+1 -0.00486 -0.04615 0.04545 0.02324 -0.01445 15 7D-1 -0.09138 0.03180 -0.08548 -0.03362 0.00342 16 7D+2 -0.07728 -0.01265 0.02757 -0.02039 0.00969 17 7D-2 0.01192 0.03666 0.08159 -0.04373 0.04971 18 8D 0 -0.02827 0.14488 0.06112 -0.13573 0.11512 19 8D+1 0.02732 0.15778 -0.16413 -0.06961 0.06218 20 8D-1 0.30767 -0.09845 0.28606 0.10385 -0.02149 21 8D+2 0.24621 0.04219 -0.09717 0.07689 -0.02506 22 8D-2 -0.04556 -0.11703 -0.27051 0.15962 -0.16430 23 2 Cu 1S 0.02812 -0.75849 0.56549 0.96893 -0.50906 24 2S 0.06703 -1.60330 1.18727 1.82661 -0.95778 25 3S -0.54738 0.40641 -0.57440 -2.95930 1.42463 26 4PX -0.00282 0.02821 -0.01735 0.02883 -0.01812 27 4PY 0.00812 0.01748 -0.00016 0.00185 -0.01834 28 4PZ 0.00592 0.00730 -0.01329 0.02130 0.01468 29 5PX -0.31742 -1.28963 0.75051 0.10139 -0.12132 30 5PY -0.02431 -0.52204 0.00402 0.06299 0.30480 31 5PZ 0.04775 -0.25467 0.54844 -0.18401 -0.31875 32 6PX 0.02169 0.46566 -0.29605 0.27284 -0.13164 33 6PY 0.14103 0.30101 0.01793 -0.47165 -0.78477 34 6PZ -0.07053 0.04017 -0.22566 0.30682 1.00510 35 7D 0 -0.01875 -0.03758 -0.02827 0.01800 0.02988 36 7D+1 0.02742 0.02883 -0.08523 0.03402 0.04770 37 7D-1 0.07237 -0.04400 0.05450 -0.00456 -0.00195 38 7D+2 0.02619 0.03713 -0.03070 0.00640 0.02165 39 7D-2 0.01912 0.10928 0.00293 -0.01279 -0.05119 40 8D 0 0.07826 0.12296 0.09374 -0.06005 -0.09914 41 8D+1 -0.07938 -0.09711 0.27806 -0.10588 -0.16869 42 8D-1 -0.24164 0.15565 -0.18967 -0.00621 0.01379 43 8D+2 -0.10669 -0.12673 0.09884 -0.01813 -0.08239 44 8D-2 -0.05538 -0.35467 -0.00333 0.05600 0.17307 45 3 Cu 1S -0.52117 0.80739 0.00078 -0.10000 -1.06924 46 2S -1.09391 1.69675 0.00138 -0.18816 -2.01029 47 3S -0.14979 -1.18406 0.00788 0.29783 2.77125 48 4PX 0.00051 -0.00705 -0.00981 -0.02628 -0.00504 49 4PY -0.00813 0.01707 -0.00531 -0.01184 0.02140 50 4PZ 0.02641 -0.01883 -0.00126 -0.00614 -0.02782 51 5PX -0.32258 0.18991 0.33584 0.42522 -0.18617 52 5PY 0.84029 -0.52774 0.17088 0.23812 0.26336 53 5PZ -0.83040 0.89225 0.04051 0.05637 -0.04434 54 6PX 0.07157 -0.11401 -0.12604 -1.24509 -0.07282 55 6PY -0.26616 0.26110 -0.06223 -0.61459 0.39131 56 6PZ 0.38131 -0.34173 -0.01192 -0.15551 0.06936 57 7D 0 0.05828 0.01994 -0.01367 -0.01506 -0.01318 58 7D+1 0.02692 -0.05512 -0.06564 -0.07007 0.00494 59 7D-1 -0.08166 0.07517 -0.02798 -0.02904 0.00548 60 7D+2 -0.01372 -0.03594 -0.03948 -0.04012 -0.00957 61 7D-2 -0.00048 -0.06799 0.03721 0.03597 -0.02283 62 8D 0 -0.17598 -0.06724 0.04336 0.05185 0.05007 63 8D+1 -0.09435 0.18409 0.20972 0.23841 -0.03002 64 8D-1 0.27779 -0.24600 0.08922 0.10097 0.00174 65 8D+2 0.05600 0.13111 0.12517 0.13659 0.02934 66 8D-2 0.01511 0.24225 -0.11868 -0.12512 0.06879 67 4 Cu 1S -0.01148 -0.77678 -0.54665 -1.04092 -0.31687 68 2S -0.01499 -1.64238 -1.14817 -1.96266 -0.59508 69 3S -0.44965 0.42797 0.57083 3.22526 0.92663 70 4PX -0.00633 -0.03143 -0.01146 0.02551 0.01788 71 4PY 0.00625 -0.01415 -0.01509 0.02421 -0.00114 72 4PZ 0.00541 0.00039 0.00964 -0.01107 0.02197 73 5PX 0.22290 1.20986 0.48952 0.02813 -0.13976 74 5PY 0.24239 0.78481 0.63815 0.06246 0.25968 75 5PZ 0.08725 0.02728 -0.39523 0.12500 -0.35560 76 6PX -0.11492 -0.52181 -0.18232 -0.05555 0.55401 77 6PY 0.08563 -0.19707 -0.26273 0.42320 -0.53456 78 6PZ -0.08138 -0.07798 0.16717 -0.06153 1.10026 79 7D 0 -0.03720 -0.03268 0.01099 -0.00220 0.01345 80 7D+1 -0.06049 0.05390 -0.00849 0.01151 -0.04451 81 7D-1 0.02447 -0.03844 -0.09507 0.02038 -0.04346 82 7D+2 0.02624 0.07955 -0.02295 0.00343 -0.05253 83 7D-2 0.03605 0.08005 0.04368 -0.00898 0.01383 84 8D 0 0.13449 0.10562 -0.03941 0.00519 -0.04279 85 8D+1 0.19200 -0.18361 0.01790 -0.05402 0.15064 86 8D-1 -0.09705 0.13361 0.31749 -0.04794 0.15127 87 8D+2 -0.07317 -0.25461 0.07049 -0.01775 0.18275 88 8D-2 -0.13186 -0.26644 -0.14344 0.01966 -0.05458 89 5 Cu 1S -0.50632 0.07845 0.85630 -0.56194 0.84832 90 2S -1.05802 0.17933 1.81203 -1.06022 1.59849 91 3S 0.17842 -0.01864 -0.62272 1.83725 -2.65994 92 4PX -0.01162 -0.00081 0.02568 -0.00298 -0.02906 93 4PY 0.01291 -0.00469 -0.00537 -0.02132 -0.00404 94 4PZ -0.00874 0.01022 0.02366 0.02447 -0.01521 95 5PX 0.56161 0.08580 -1.05334 0.27587 0.20313 96 5PY -0.34815 0.25185 0.21500 0.34452 0.06360 97 5PZ 0.79773 -0.20567 -0.96543 -0.14925 -0.16610 98 6PX -0.09879 0.05153 0.36218 -0.82685 -0.38784 99 6PY 0.22711 -0.03171 -0.15284 -0.87620 -0.68950 100 6PZ -0.10072 0.12686 0.38907 0.67373 -0.04797 101 7D 0 0.01668 -0.03506 0.01570 -0.03976 -0.01991 102 7D+1 0.07345 0.01950 -0.06938 0.00953 0.02417 103 7D-1 -0.06190 0.05970 0.07681 0.05192 0.01035 104 7D+2 0.02234 0.04242 -0.04903 0.04492 0.03396 105 7D-2 -0.06525 -0.01118 -0.06284 0.03172 0.01803 106 8D 0 -0.06868 0.10282 -0.05538 0.13796 0.06580 107 8D+1 -0.25143 -0.06798 0.22567 -0.03735 -0.07891 108 8D-1 0.19928 -0.19560 -0.26536 -0.16827 -0.05030 109 8D+2 -0.07564 -0.13551 0.16033 -0.15746 -0.11480 110 8D-2 0.20665 0.03956 0.21585 -0.11788 -0.04777 111 6 Cu 1S 0.06444 0.01511 -0.00352 -0.00326 0.14907 112 2S 0.24562 0.07387 -0.00908 -0.00716 0.26767 113 3S 2.91178 1.19051 -0.02505 -0.01111 -0.33225 114 4PX 0.03367 0.01300 -0.00050 -0.03361 0.02380 115 4PY -0.05367 -0.02022 0.00082 -0.01987 -0.04067 116 4PZ -0.03799 -0.01552 0.00051 -0.00060 0.02809 117 5PX -1.16829 -0.46328 -0.00598 0.47410 -0.54298 118 5PY 1.85749 0.73380 -0.03668 0.27492 0.91275 119 5PZ 1.27577 0.48243 -0.01481 0.00500 -0.38154 120 6PX -0.14070 -0.06561 -0.03150 0.38538 -0.23411 121 6PY 0.22248 0.13899 -0.01409 0.22733 0.40980 122 6PZ 0.21976 0.03102 -0.01228 0.01318 -0.57069 123 7D 0 -0.03887 0.01561 0.00696 -0.00110 0.02676 124 7D+1 -0.01084 0.00174 0.04064 -0.02289 -0.00938 125 7D-1 0.02782 -0.02237 0.01695 -0.01477 0.01312 126 7D+2 -0.00803 -0.03287 0.02737 0.02676 0.00057 127 7D-2 -0.02419 -0.04588 -0.02377 -0.01282 0.00055 128 8D 0 0.14581 -0.06482 -0.02757 0.00368 -0.08241 129 8D+1 0.06290 0.00275 -0.15875 0.07678 0.04199 130 8D-1 -0.14055 0.07195 -0.06618 0.04946 -0.06058 131 8D+2 0.04231 0.12928 -0.10471 -0.08692 0.00957 132 8D-2 0.11645 0.18426 0.09101 0.04143 0.02100 133 7 Cu 1S 1.05129 0.41868 -0.01455 -0.00121 0.00640 134 2S 2.15642 0.85831 -0.03052 -0.00186 0.01772 135 3S -2.28939 -0.89475 0.01890 0.01631 -0.04137 136 4PX -0.01099 -0.00442 0.00026 -0.02204 0.00472 137 4PY 0.01737 0.00681 -0.00053 -0.01324 -0.00879 138 4PZ 0.00986 0.00379 -0.00013 -0.00063 0.02259 139 5PX 0.35995 0.13483 -0.05198 0.13709 -0.04043 140 5PY -0.57902 -0.18085 -0.00537 0.07755 0.06811 141 5PZ -0.17919 -0.13713 -0.00450 0.00301 -0.11239 142 6PX -0.32792 -0.13021 0.02342 -0.67815 0.24432 143 6PY 0.51740 0.18412 -0.00297 -0.41082 -0.43165 144 6PZ 0.29171 0.13950 0.00904 -0.02604 0.71758 145 7D 0 0.01296 0.04143 0.00947 0.00168 -0.04404 146 7D+1 -0.01097 0.00359 0.05333 0.02861 0.00947 147 7D-1 0.02694 -0.02773 0.02192 0.01872 -0.01380 148 7D+2 0.01503 -0.02725 0.03565 -0.04605 -0.01450 149 7D-2 0.02158 -0.03298 -0.03258 0.02308 -0.02700 150 8D 0 -0.04623 -0.15427 -0.03581 -0.00556 0.14489 151 8D+1 0.05716 -0.00686 -0.20019 -0.09451 -0.02639 152 8D-1 -0.12647 0.09366 -0.08201 -0.06177 0.03810 153 8D+2 -0.04623 0.10574 -0.13376 0.15347 0.05115 154 8D-2 -0.05974 0.13165 0.12158 -0.07713 0.09591 155 8 C 1S -0.00297 -0.00114 0.00011 0.00001 -0.00037 156 2S -0.07037 -0.02237 0.00104 -0.00036 -0.17342 157 3S 1.73646 0.70596 -0.01010 -0.00855 1.49818 158 4PX 0.01912 0.00840 0.00272 0.07359 0.04366 159 4PY -0.03309 -0.01662 0.00023 0.04506 -0.06797 160 4PZ 0.04520 0.02247 -0.00012 0.00188 -0.08276 161 5PX 0.01349 0.01338 0.02086 -0.45569 0.33810 162 5PY -0.02642 -0.02957 0.00680 -0.27325 -0.58453 163 5PZ 0.10849 0.05928 0.00414 -0.01151 0.53090 164 9 O 1S -0.02501 -0.01082 -0.00008 0.00010 -0.01819 165 2S 0.63017 0.27479 0.00220 -0.00368 0.65803 166 3S -1.25480 -0.54661 -0.00382 0.00839 -1.53666 167 4PX -0.01680 -0.00620 0.00728 -0.07555 0.01614 168 4PY 0.02873 0.00847 0.00309 -0.04594 -0.02955 169 4PZ -0.00880 0.00161 0.00193 -0.00185 0.05273 170 5PX 0.22868 0.09747 -0.02162 0.25700 0.15152 171 5PY -0.37625 -0.15277 -0.01083 0.15906 -0.23475 172 5PZ -0.05358 -0.04193 -0.00608 0.00663 -0.27643 171 172 V V EIGENVALUES -- 2.56166 9.40094 1 1 Cu 1S -0.68333 -0.54282 2 2S -1.20170 -0.84187 3 3S 0.91679 -1.47969 4 4PX -0.01673 -0.01430 5 4PY -0.02913 -0.02201 6 4PZ 0.02045 0.02796 7 5PX 0.19933 -0.41500 8 5PY -0.03517 -0.11455 9 5PZ -0.23599 0.60239 10 6PX 0.18909 -0.36650 11 6PY -0.15887 0.44762 12 6PZ -0.49935 0.40623 13 7D 0 0.02298 0.00352 14 7D+1 -0.02362 -0.00661 15 7D-1 0.00274 -0.01265 16 7D+2 0.00975 -0.00333 17 7D-2 -0.00854 0.00942 18 8D 0 -0.07232 -0.03468 19 8D+1 0.07626 0.05460 20 8D-1 -0.00775 0.09778 21 8D+2 -0.02636 0.01537 22 8D-2 0.03045 -0.06857 23 2 Cu 1S -0.46261 -0.70958 24 2S -0.81138 -1.10327 25 3S 0.05846 -1.37751 26 4PX -0.02278 -0.04983 27 4PY -0.00822 -0.00121 28 4PZ -0.01657 -0.00289 29 5PX 0.20952 -0.87801 30 5PY -0.12246 0.14846 31 5PZ -0.05784 0.07842 32 6PX 0.39266 -0.19801 33 6PY 0.04932 0.14038 34 6PZ -0.13236 -0.01989 35 7D 0 -0.02031 -0.00270 36 7D+1 -0.02338 0.00482 37 7D-1 0.00736 -0.00021 38 7D+2 0.01879 0.01166 39 7D-2 -0.01957 0.00649 40 8D 0 0.06689 0.04252 41 8D+1 0.07532 -0.03287 42 8D-1 -0.03215 0.00472 43 8D+2 -0.05722 -0.10797 44 8D-2 0.06137 -0.03756 45 3 Cu 1S -0.35305 -0.80129 46 2S -0.62222 -1.24302 47 3S -0.56726 -0.94260 48 4PX -0.00139 -0.02101 49 4PY 0.00622 0.04681 50 4PZ -0.02139 -0.02916 51 5PX 0.09671 -0.38216 52 5PY -0.16446 0.78352 53 5PZ -0.08534 -0.20288 54 6PX 0.05784 0.05083 55 6PY -0.20718 -0.06805 56 6PZ 0.24727 -0.22597 57 7D 0 -0.02067 0.00287 58 7D+1 -0.00091 0.00263 59 7D-1 -0.00030 -0.00674 60 7D+2 -0.02027 -0.00340 61 7D-2 -0.02907 -0.00272 62 8D 0 0.05822 -0.00715 63 8D+1 0.00679 -0.03429 64 8D-1 -0.00213 0.08065 65 8D+2 0.06606 0.04317 66 8D-2 0.09573 0.04174 67 4 Cu 1S -0.50392 -0.67553 68 2S -0.88291 -1.05125 69 3S 0.26684 -1.48362 70 4PX 0.02358 0.02781 71 4PY 0.01792 0.03732 72 4PZ -0.01145 0.00600 73 5PX -0.01999 0.34768 74 5PY -0.25874 0.78791 75 5PZ -0.08100 0.20830 76 6PX -0.20760 -0.05631 77 6PY -0.30745 0.31952 78 6PZ -0.24653 0.06463 79 7D 0 -0.01263 -0.00409 80 7D+1 0.00924 0.00034 81 7D-1 0.02990 -0.00177 82 7D+2 -0.02280 0.00163 83 7D-2 0.00398 0.01512 84 8D 0 0.04343 0.04720 85 8D+1 -0.02440 -0.01122 86 8D-1 -0.10035 0.00377 87 8D+2 0.06892 0.00473 88 8D-2 -0.01003 -0.12238 89 5 Cu 1S -0.70722 -0.52454 90 2S -1.24350 -0.81253 91 3S 0.99085 -1.41141 92 4PX 0.02913 0.02124 93 4PY -0.00547 -0.00362 94 4PZ 0.02739 0.03096 95 5PX -0.03269 0.18622 96 5PY -0.16029 0.21776 97 5PZ -0.27215 0.64729 98 6PX 0.11099 -0.28397 99 6PY -0.23624 0.53656 100 6PZ -0.49335 0.43527 101 7D 0 0.02687 0.00764 102 7D+1 0.00120 0.01409 103 7D-1 0.01862 -0.00285 104 7D+2 -0.00943 0.00664 105 7D-2 0.00285 -0.00098 106 8D 0 -0.08465 -0.06577 107 8D+1 -0.00470 -0.10712 108 8D-1 -0.05837 0.02019 109 8D+2 0.03087 -0.04531 110 8D-2 -0.00410 -0.00144 111 6 Cu 1S 0.68929 -3.27915 112 2S 1.21109 -5.28619 113 3S -3.84544 10.44539 114 4PX 0.03156 0.04145 115 4PY -0.04997 -0.06540 116 4PZ -0.03734 -0.06384 117 5PX 0.70252 -3.68152 118 5PY -1.13213 5.87275 119 5PZ -0.82548 3.86514 120 6PX -0.65224 0.31065 121 6PY 1.07719 -0.55515 122 6PZ -0.07961 1.28670 123 7D 0 -0.00423 -0.02049 124 7D+1 -0.01976 -0.03716 125 7D-1 0.03206 0.05966 126 7D+2 -0.01420 -0.03042 127 7D-2 -0.02841 -0.06271 128 8D 0 -0.00229 0.14530 129 8D+1 0.04654 0.26720 130 8D-1 -0.07645 -0.42837 131 8D+2 0.02867 0.22089 132 8D-2 0.05593 0.45428 133 7 Cu 1S -1.10437 -0.74000 134 2S -1.89752 -1.24348 135 3S 4.48177 -0.16376 136 4PX -0.03567 -0.02333 137 4PY 0.05646 0.03692 138 4PZ 0.04410 0.03471 139 5PX 0.52799 -0.47539 140 5PY -0.83822 0.75686 141 5PZ -0.74605 0.64566 142 6PX 0.53729 0.16443 143 6PY -0.87293 -0.23195 144 6PZ -0.41252 -0.98175 145 7D 0 0.00438 0.00067 146 7D+1 0.00595 -0.01552 147 7D-1 -0.00943 0.02457 148 7D+2 0.00590 -0.00940 149 7D-2 0.01181 -0.01941 150 8D 0 -0.01294 -0.01003 151 8D+1 -0.02611 0.11505 152 8D-1 0.04127 -0.18214 153 8D+2 -0.02359 0.06629 154 8D-2 -0.04715 0.13772 155 8 C 1S 0.00655 -0.05253 156 2S 0.40960 -0.97200 157 3S -0.13616 4.59853 158 4PX -0.01750 -0.06777 159 4PY 0.02461 0.10599 160 4PZ 0.08055 0.11961 161 5PX 0.96008 -2.16427 162 5PY -1.53683 3.46899 163 5PZ -0.86754 1.83056 164 9 O 1S -0.01271 -0.00953 165 2S 0.70381 -0.46650 166 3S -1.76304 1.62449 167 4PX 0.00542 -0.09578 168 4PY -0.00498 0.15048 169 4PZ -0.07993 0.14457 170 5PX 0.14959 0.27056 171 5PY -0.26052 -0.40983 172 5PZ 0.27769 -0.69194 ALPHA DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.00537 2 2S 0.00718 0.17368 3 3S 0.00620 0.08028 0.20785 4 4PX -0.00129 -0.00804 0.01465 0.99727 5 4PY -0.00232 -0.01388 0.02684 -0.00034 0.99712 6 4PZ 0.00211 0.01338 -0.02382 -0.00002 0.00056 7 5PX 0.00094 0.01137 0.02365 0.01487 0.00331 8 5PY 0.00176 0.01807 0.04938 0.00399 0.01706 9 5PZ -0.00151 -0.01897 -0.03880 -0.00190 -0.00529 10 6PX 0.00044 -0.00157 0.00736 -0.01771 0.00324 11 6PY 0.00102 -0.01531 0.01297 0.00337 -0.00493 12 6PZ -0.00081 0.00353 -0.01148 -0.00842 -0.00621 13 7D 0 -0.00010 -0.00188 -0.00137 0.00007 -0.00109 14 7D+1 0.00026 -0.00316 -0.04469 -0.00051 0.00083 15 7D-1 0.00026 0.00510 0.07060 -0.00021 0.00015 16 7D+2 0.00011 -0.00508 -0.03187 0.00124 -0.00137 17 7D-2 -0.00020 -0.00391 -0.05369 0.00107 0.00002 18 8D 0 -0.00001 -0.00074 -0.00049 0.00013 -0.00038 19 8D+1 -0.00006 -0.00068 -0.01487 -0.00052 -0.00002 20 8D-1 0.00007 -0.00080 0.02143 -0.00037 -0.00056 21 8D+2 -0.00003 -0.00195 -0.01088 0.00034 -0.00077 22 8D-2 -0.00006 0.00031 -0.01657 0.00053 0.00037 23 2 Cu 1S -0.00118 -0.00332 -0.00005 0.00039 -0.00084 24 2S -0.00354 0.07812 0.00658 0.00734 -0.00504 25 3S -0.00012 0.00538 -0.06523 0.00742 -0.00129 26 4PX -0.00118 -0.00831 -0.00102 0.00046 -0.00024 27 4PY 0.00053 0.00790 0.00604 -0.00148 0.00087 28 4PZ -0.00125 -0.01293 -0.00978 0.00084 0.00076 29 5PX -0.00026 0.00676 -0.00860 -0.00170 0.00097 30 5PY 0.00045 -0.02055 -0.00191 0.00333 -0.00198 31 5PZ -0.00071 0.02373 -0.00808 0.00058 -0.00525 32 6PX 0.00021 -0.00650 -0.01226 0.00588 -0.00031 33 6PY 0.00067 0.00022 0.00881 0.00698 0.00269 34 6PZ -0.00065 -0.00982 -0.01795 -0.00708 0.00077 35 7D 0 0.00093 0.01561 0.06798 0.00850 -0.00668 36 7D+1 -0.00049 0.00625 0.09062 0.00252 -0.00606 37 7D-1 -0.00198 -0.02629 -0.13106 -0.00814 -0.00077 38 7D+2 -0.00123 -0.00956 0.00288 -0.00204 -0.00551 39 7D-2 0.00013 -0.00153 -0.00746 -0.00165 0.00049 40 8D 0 0.00049 0.00467 0.02307 0.00206 -0.00198 41 8D+1 0.00006 0.00215 0.03016 -0.00075 -0.00131 42 8D-1 -0.00083 -0.00918 -0.04375 -0.00175 -0.00104 43 8D+2 -0.00041 -0.00272 0.00096 -0.00098 -0.00190 44 8D-2 -0.00010 0.00054 -0.00296 0.00048 -0.00033 45 3 Cu 1S 0.00038 -0.00130 -0.00110 0.00047 0.00096 46 2S -0.00135 -0.05502 -0.01023 0.00602 0.00089 47 3S -0.00110 -0.00949 0.02923 -0.00431 0.00200 48 4PX 0.00026 0.00710 -0.00515 0.00140 -0.00045 49 4PY -0.00048 0.00489 -0.00549 -0.00008 0.00052 50 4PZ 0.00102 0.00037 0.00204 -0.00023 0.00133 51 5PX 0.00002 -0.01566 -0.00141 -0.00396 0.00106 52 5PY 0.00069 -0.01135 0.00092 0.00014 -0.00184 53 5PZ -0.00046 -0.00088 -0.00341 0.00055 -0.00240 54 6PX 0.00040 0.00117 0.00494 0.00431 0.00036 55 6PY -0.00028 -0.00224 -0.01208 0.00346 -0.00084 56 6PZ 0.00061 0.01643 0.01866 -0.00053 0.00084 57 7D 0 -0.00105 -0.00555 -0.03996 -0.00022 0.00198 58 7D+1 0.00075 0.00835 -0.01557 0.00160 0.00059 59 7D-1 0.00298 0.01657 0.07479 -0.00069 0.00243 60 7D+2 0.00160 0.01190 0.01806 0.00060 0.00075 61 7D-2 -0.00062 -0.00582 -0.01468 -0.00210 0.00043 62 8D 0 -0.00033 -0.00232 -0.01406 0.00000 0.00091 63 8D+1 0.00025 0.00275 -0.00457 0.00081 0.00012 64 8D-1 0.00104 0.00759 0.02695 -0.00031 0.00070 65 8D+2 0.00058 0.00448 0.00699 0.00013 0.00044 66 8D-2 -0.00017 -0.00243 -0.00507 -0.00082 0.00015 67 4 Cu 1S 0.00040 -0.00125 -0.00064 0.00027 0.00092 68 2S -0.00127 -0.05542 -0.01076 -0.00788 -0.00037 69 3S -0.00070 -0.00994 0.02990 0.00873 0.00344 70 4PX -0.00100 -0.00338 -0.00034 0.00068 -0.00103 71 4PY -0.00061 0.00415 -0.00739 -0.00150 0.00049 72 4PZ 0.00015 -0.00661 0.00574 0.00057 0.00110 73 5PX 0.00030 0.00756 0.00385 -0.00445 0.00135 74 5PY 0.00058 -0.00967 0.00175 0.00164 -0.00213 75 5PZ -0.00026 0.01461 0.00052 -0.00115 -0.00241 76 6PX -0.00070 -0.01341 -0.01657 -0.00023 -0.00036 77 6PY -0.00039 -0.00549 -0.01556 -0.00361 -0.00218 78 6PZ -0.00016 0.00461 0.00308 0.00541 0.00020 79 7D 0 0.00088 0.00500 0.03489 0.00113 -0.00005 80 7D+1 0.00169 0.01295 0.01660 0.00154 -0.00050 81 7D-1 0.00198 0.01307 0.04129 -0.00033 0.00044 82 7D+2 0.00070 0.00721 -0.00909 -0.00210 0.00242 83 7D-2 -0.00236 -0.01159 -0.06419 -0.00069 -0.00222 84 8D 0 0.00032 0.00204 0.01214 0.00028 0.00009 85 8D+1 0.00058 0.00481 0.00679 0.00038 -0.00032 86 8D-1 0.00066 0.00576 0.01490 -0.00003 0.00011 87 8D+2 0.00027 0.00243 -0.00258 -0.00095 0.00103 88 8D-2 -0.00084 -0.00549 -0.02309 -0.00030 -0.00059 89 5 Cu 1S -0.00116 -0.00344 0.00003 -0.00158 -0.00095 90 2S -0.00342 0.07637 0.00515 -0.01593 -0.00679 91 3S 0.00004 0.00490 -0.06722 -0.01005 -0.00278 92 4PX 0.00159 0.01444 0.00867 0.00136 -0.00058 93 4PY 0.00074 0.00938 0.00743 0.00060 0.00108 94 4PZ 0.00067 0.00252 -0.00289 -0.00121 0.00050 95 5PX 0.00071 -0.02219 0.01187 -0.00105 0.00458 96 5PY 0.00047 -0.02262 -0.00076 0.00281 -0.00217 97 5PZ -0.00014 0.00363 0.00603 0.00137 -0.00300 98 6PX 0.00050 0.01211 0.02150 -0.00210 -0.00070 99 6PY 0.00062 0.00075 0.00895 -0.00834 0.00139 100 6PZ -0.00045 0.00182 0.00303 0.00559 0.00081 101 7D 0 -0.00074 -0.01480 -0.07440 0.00953 0.00209 102 7D+1 -0.00137 -0.00912 0.02340 -0.00368 -0.00210 103 7D-1 -0.00096 -0.01063 -0.05007 -0.00293 -0.00157 104 7D+2 -0.00048 0.00465 0.06357 -0.00493 -0.01073 105 7D-2 0.00166 0.02558 0.13772 -0.01272 -0.00232 106 8D 0 -0.00042 -0.00444 -0.02502 0.00157 0.00000 107 8D+1 -0.00043 -0.00248 0.00747 -0.00062 -0.00036 108 8D-1 -0.00023 -0.00467 -0.01633 -0.00035 -0.00030 109 8D+2 0.00000 0.00144 0.02134 0.00027 -0.00317 110 8D-2 0.00079 0.00848 0.04614 -0.00209 0.00038 111 6 Cu 1S -0.00128 -0.00227 -0.00303 -0.00046 -0.00035 112 2S -0.00397 0.04808 0.00765 -0.00894 0.00258 113 3S -0.00413 -0.00979 -0.06466 -0.01401 -0.00700 114 4PX 0.00101 0.01329 0.00496 0.00136 -0.00038 115 4PY 0.00026 0.00745 0.00937 0.00058 0.00013 116 4PZ -0.00161 -0.02062 -0.01203 0.00120 0.00044 117 5PX 0.00146 -0.02267 0.01040 -0.00224 0.00201 118 5PY 0.00035 -0.02774 -0.01640 -0.00232 0.00199 119 5PZ -0.00257 0.03786 -0.01372 -0.00845 -0.00308 120 6PX 0.00002 0.00464 0.00219 0.00461 -0.00025 121 6PY 0.00024 0.01197 0.00347 -0.00093 0.00327 122 6PZ -0.00025 -0.01386 -0.00924 0.00110 -0.00157 123 7D 0 -0.00084 0.00609 0.03255 -0.00838 -0.00206 124 7D+1 0.00017 -0.02176 -0.09707 0.00419 0.00171 125 7D-1 -0.00141 -0.01033 -0.06630 0.00306 -0.00165 126 7D+2 -0.00103 -0.00832 -0.01899 0.00134 -0.00296 127 7D-2 0.00066 0.00732 0.03082 0.00115 0.00203 128 8D 0 -0.00029 0.00057 0.01034 -0.00211 -0.00091 129 8D+1 0.00019 -0.00613 -0.03145 0.00002 0.00083 130 8D-1 -0.00060 -0.00382 -0.02200 0.00090 -0.00098 131 8D+2 -0.00032 -0.00429 -0.00648 0.00116 -0.00106 132 8D-2 0.00037 0.00188 0.01018 0.00084 0.00091 133 7 Cu 1S -0.00122 -0.00424 -0.00228 -0.00010 -0.00181 134 2S -0.00414 0.04239 -0.00054 0.00424 -0.02018 135 3S -0.00234 -0.03775 -0.06177 0.00032 -0.02527 136 4PX -0.00012 0.00269 -0.00129 0.00154 0.00006 137 4PY 0.00198 0.02143 0.01513 -0.00089 0.00122 138 4PZ 0.00004 -0.00542 0.00102 0.00027 0.00012 139 5PX -0.00007 -0.01131 -0.00488 -0.00501 0.00115 140 5PY 0.00220 -0.02981 0.00859 0.00401 0.00221 141 5PZ -0.00005 0.01899 0.00714 -0.00042 -0.00281 142 6PX 0.00030 -0.00780 0.00142 0.00345 -0.00013 143 6PY -0.00001 0.00062 0.01304 0.00074 0.00237 144 6PZ -0.00034 0.01395 -0.00074 0.00191 0.00159 145 7D 0 0.00062 -0.00037 -0.05099 -0.00220 0.00712 146 7D+1 -0.00093 -0.01758 -0.03953 -0.00347 0.00062 147 7D-1 -0.00212 -0.02615 -0.08307 0.00122 0.00418 148 7D+2 0.00008 -0.01776 -0.12411 0.00290 0.01381 149 7D-2 0.00142 0.01490 0.04138 0.00748 -0.00098 150 8D 0 0.00019 0.00063 -0.01689 -0.00072 0.00067 151 8D+1 -0.00031 -0.00628 -0.01353 -0.00129 0.00053 152 8D-1 -0.00079 -0.00917 -0.02849 0.00052 0.00091 153 8D+2 -0.00002 -0.00491 -0.04147 0.00124 0.00186 154 8D-2 0.00053 0.00536 0.01432 0.00294 -0.00024 155 8 C 1S -0.00056 0.00452 -0.01034 -0.00068 0.00024 156 2S 0.00123 -0.01110 0.02104 0.00196 -0.00101 157 3S 0.00266 -0.02073 0.01490 0.00405 -0.00075 158 4PX -0.00035 -0.00592 -0.00740 -0.00244 0.00039 159 4PY 0.00076 -0.02249 -0.00082 0.00109 -0.00094 160 4PZ -0.00037 0.02335 -0.00031 -0.00481 0.00406 161 5PX -0.00014 -0.00067 -0.00088 0.00068 -0.00060 162 5PY 0.00023 -0.01112 -0.00155 -0.00045 -0.00090 163 5PZ -0.00001 0.00801 -0.00079 -0.00345 0.00353 164 9 O 1S -0.00028 -0.00087 0.00145 0.00009 -0.00006 165 2S 0.00058 0.00277 -0.00285 -0.00013 0.00037 166 3S -0.00001 -0.00051 -0.00944 -0.00131 -0.00008 167 4PX 0.00020 0.00976 -0.01345 0.00219 -0.00038 168 4PY 0.00007 0.01617 0.00765 0.00000 0.00065 169 4PZ -0.00016 -0.02676 -0.00364 0.00409 -0.00280 170 5PX 0.00022 0.00683 -0.00347 0.00097 0.00045 171 5PY -0.00035 0.00889 0.00030 -0.00036 0.00060 172 5PZ 0.00001 -0.01549 -0.00157 0.00348 -0.00284 6 7 8 9 10 6 4PZ 0.99730 7 5PX -0.00180 0.02717 8 5PY -0.00630 -0.00030 0.03421 9 5PZ 0.01697 -0.00098 0.00041 0.02815 10 6PX -0.00812 0.00493 -0.00122 0.00069 0.01079 11 6PY -0.00637 -0.00047 0.00445 0.00113 0.00093 12 6PZ -0.00993 0.00131 0.00173 0.00356 0.00145 13 7D 0 -0.00121 0.01154 0.02554 0.04171 0.02817 14 7D+1 0.00010 0.02950 -0.01326 -0.01173 0.02436 15 7D-1 0.00129 -0.00705 0.01744 -0.03280 -0.01006 16 7D+2 -0.00129 -0.02810 0.03211 0.01205 -0.02291 17 7D-2 -0.00023 -0.04107 -0.01220 -0.00637 -0.04994 18 8D 0 -0.00062 0.00403 0.00822 0.01365 0.00940 19 8D+1 0.00060 0.00963 -0.00453 -0.00363 0.00812 20 8D-1 0.00088 -0.00278 0.00496 -0.01019 -0.00320 21 8D+2 -0.00024 -0.00923 0.00997 0.00387 -0.00742 22 8D-2 -0.00037 -0.01339 -0.00357 -0.00258 -0.01669 23 2 Cu 1S 0.00167 0.00059 -0.00029 0.00057 0.00091 24 2S 0.01539 -0.02040 0.00085 -0.02566 0.00533 25 3S 0.00911 0.00019 -0.01103 0.00706 0.01146 26 4PX -0.00075 0.00151 0.00168 0.00366 0.00316 27 4PY -0.00010 0.00239 -0.00378 -0.00143 0.00745 28 4PZ 0.00149 0.00210 -0.00343 -0.00178 -0.00880 29 5PX 0.00204 0.00461 -0.00368 -0.00186 0.00651 30 5PY -0.00419 -0.00707 0.01072 0.00280 -0.00163 31 5PZ -0.00133 0.00063 0.00695 0.01179 0.00360 32 6PX 0.00170 -0.00017 -0.00304 0.00301 -0.00218 33 6PY 0.00541 0.00143 0.00477 -0.00295 -0.00365 34 6PZ -0.00214 0.00266 -0.00620 0.00788 0.00316 35 7D 0 0.00244 -0.02663 0.02856 -0.02015 -0.00732 36 7D+1 0.01159 0.00284 0.02390 -0.04996 -0.00235 37 7D-1 -0.00668 0.03224 -0.01344 0.03592 -0.01368 38 7D+2 0.00007 0.00528 0.02598 0.01217 -0.00570 39 7D-2 -0.00750 0.00888 -0.00943 0.02232 0.01842 40 8D 0 -0.00071 -0.00889 0.00959 -0.00685 -0.00237 41 8D+1 0.00193 0.00078 0.00804 -0.01676 -0.00045 42 8D-1 -0.00098 0.01073 -0.00447 0.01227 -0.00451 43 8D+2 -0.00023 0.00160 0.00880 0.00406 -0.00162 44 8D-2 -0.00158 0.00296 -0.00317 0.00738 0.00602 45 3 Cu 1S -0.00052 -0.00011 -0.00053 0.00070 0.00041 46 2S 0.00652 -0.01331 -0.00335 -0.01419 0.00671 47 3S -0.00619 -0.00196 -0.00343 0.00069 0.00970 48 4PX 0.00024 -0.00415 0.00055 -0.00010 0.00356 49 4PY 0.00174 -0.00071 -0.00357 -0.00294 0.00303 50 4PZ 0.00034 0.00090 -0.00195 -0.00188 0.00138 51 5PX -0.00114 0.01201 -0.00316 0.00103 0.00150 52 5PY -0.00257 0.00049 0.01286 0.00526 -0.00466 53 5PZ -0.00385 -0.00337 0.00705 0.01339 0.00290 54 6PX 0.00316 0.00016 0.00412 -0.00226 -0.00123 55 6PY 0.00293 0.00027 -0.00447 0.00069 0.00169 56 6PZ -0.00249 0.00365 0.00180 -0.00297 -0.00020 57 7D 0 0.00301 -0.00011 -0.01479 -0.00007 0.00637 58 7D+1 -0.00020 -0.01179 -0.00568 0.00709 0.00048 59 7D-1 0.00001 0.00259 0.00810 -0.01847 -0.00008 60 7D+2 -0.00059 -0.00224 -0.00172 -0.00602 0.00843 61 7D-2 0.00014 0.00481 0.00143 0.00166 0.00729 62 8D 0 0.00098 -0.00016 -0.00486 0.00046 0.00216 63 8D+1 -0.00003 -0.00430 -0.00166 0.00223 0.00036 64 8D-1 -0.00004 0.00108 0.00335 -0.00644 -0.00028 65 8D+2 0.00006 -0.00065 -0.00073 -0.00260 0.00278 66 8D-2 0.00014 0.00136 0.00041 0.00056 0.00239 67 4 Cu 1S -0.00069 -0.00051 -0.00046 0.00026 -0.00006 68 2S -0.00357 0.01735 -0.00004 0.00807 0.00384 69 3S 0.00020 0.00066 -0.00379 0.00243 0.00932 70 4PX 0.00012 -0.00232 0.00164 0.00020 0.00158 71 4PY 0.00083 0.00260 -0.00371 0.00010 -0.00245 72 4PZ 0.00126 -0.00102 -0.00169 -0.00413 0.00609 73 5PX 0.00079 0.01249 -0.00460 -0.00321 -0.00027 74 5PY -0.00104 -0.00511 0.01339 0.00170 -0.00157 75 5PZ -0.00359 0.00064 0.00668 0.01340 -0.00097 76 6PX 0.00173 -0.00067 -0.00407 0.00301 -0.00066 77 6PY -0.00189 -0.00266 -0.00253 0.00291 -0.00303 78 6PZ 0.00252 -0.00198 -0.00195 0.00017 0.00138 79 7D 0 0.00042 0.00595 0.00539 -0.00990 0.00502 80 7D+1 -0.00212 -0.00019 0.00501 0.00967 -0.00648 81 7D-1 -0.00184 0.00963 0.00259 0.00163 0.00356 82 7D+2 0.00042 0.00621 -0.01202 0.00122 0.00585 83 7D-2 -0.00137 -0.01172 -0.01018 0.01114 -0.00887 84 8D 0 0.00044 0.00232 0.00157 -0.00373 0.00170 85 8D+1 -0.00077 0.00053 0.00178 0.00314 -0.00211 86 8D-1 -0.00075 0.00327 0.00114 0.00016 0.00119 87 8D+2 0.00013 0.00221 -0.00385 0.00054 0.00190 88 8D-2 -0.00058 -0.00400 -0.00401 0.00393 -0.00297 89 5 Cu 1S 0.00027 -0.00075 -0.00029 -0.00031 -0.00070 90 2S -0.00118 0.02988 0.00527 0.00992 -0.00740 91 3S -0.00540 -0.00725 -0.01027 0.00397 -0.01957 92 4PX 0.00035 0.00052 0.00311 0.00246 -0.00372 93 4PY 0.00148 0.00117 -0.00427 -0.00300 -0.00650 94 4PZ 0.00057 0.00430 -0.00288 -0.00126 0.00255 95 5PX 0.00052 0.01068 -0.00503 -0.00253 0.00999 96 5PY -0.00479 -0.00060 0.01242 0.00836 -0.00020 97 5PZ -0.00172 -0.00466 0.00654 0.00595 0.00403 98 6PX -0.00317 0.00866 0.00631 -0.00261 0.00100 99 6PY -0.00399 0.00215 0.00593 -0.00116 0.00022 100 6PZ 0.00679 -0.00150 0.00099 0.00079 -0.00376 101 7D 0 0.00125 -0.04626 -0.00624 0.01091 -0.01196 102 7D+1 0.00636 0.00667 0.00713 -0.02711 -0.00468 103 7D-1 0.00341 0.00129 0.00576 -0.00617 0.00555 104 7D+2 -0.00236 0.01737 0.04282 0.00147 -0.00176 105 7D-2 -0.00419 0.05430 0.02818 0.01245 0.00764 106 8D 0 -0.00001 -0.01555 -0.00210 0.00366 -0.00398 107 8D+1 0.00254 0.00227 0.00242 -0.00891 -0.00209 108 8D-1 0.00144 0.00031 0.00192 -0.00200 0.00185 109 8D+2 -0.00044 0.00593 0.01442 0.00061 -0.00096 110 8D-2 -0.00077 0.01830 0.00947 0.00408 0.00257 111 6 Cu 1S 0.00085 -0.00111 -0.00073 0.00177 -0.00089 112 2S 0.01367 0.01795 -0.02254 -0.02582 -0.00100 113 3S 0.02138 -0.00635 -0.01181 0.00925 -0.01570 114 4PX 0.00111 -0.00105 -0.00082 -0.00518 0.00187 115 4PY -0.00079 0.00034 -0.00003 -0.00044 -0.00190 116 4PZ 0.00013 -0.00633 0.00154 0.00490 0.00314 117 5PX -0.00744 0.00717 0.00819 0.00560 0.00479 118 5PY 0.00249 0.00493 -0.00851 -0.00657 -0.00382 119 5PZ 0.00626 0.00708 -0.01316 0.00060 -0.00063 120 6PX 0.00180 -0.00368 0.00078 -0.00087 -0.00132 121 6PY 0.00147 0.00127 -0.00354 -0.00294 0.00319 122 6PZ 0.00441 -0.00538 0.00338 0.00396 -0.00260 123 7D 0 0.00348 0.01595 0.01193 -0.02028 -0.00949 124 7D+1 -0.01094 -0.02521 -0.01215 0.04173 -0.00705 125 7D-1 -0.00088 -0.01866 -0.00679 0.01442 -0.00575 126 7D+2 0.00292 -0.00089 0.01466 -0.00208 0.00308 127 7D-2 0.00379 -0.00135 0.00061 -0.01695 -0.00414 128 8D 0 -0.00051 0.00449 0.00426 -0.00653 -0.00337 129 8D+1 -0.00202 -0.00802 -0.00452 0.01308 -0.00245 130 8D-1 0.00018 -0.00656 -0.00162 0.00493 -0.00173 131 8D+2 0.00018 0.00007 0.00479 -0.00051 0.00093 132 8D-2 0.00092 -0.00067 0.00017 -0.00562 -0.00162 133 7 Cu 1S 0.00026 -0.00041 -0.00049 0.00066 -0.00013 134 2S -0.00534 -0.01666 0.04887 0.02285 -0.00307 135 3S 0.00110 -0.01419 0.01136 0.02140 -0.00450 136 4PX 0.00029 -0.00413 -0.00076 -0.00041 0.00436 137 4PY 0.00144 0.00083 0.00387 -0.00209 0.00363 138 4PZ 0.00134 -0.00036 0.00002 -0.00406 -0.00011 139 5PX -0.00034 0.00872 -0.00333 -0.00073 0.00259 140 5PY -0.00677 -0.00345 0.01420 0.00525 -0.00108 141 5PZ -0.00440 -0.00117 0.00630 0.00991 -0.00038 142 6PX 0.00168 0.00712 -0.00182 -0.00062 0.00190 143 6PY -0.00087 -0.00029 0.01369 0.00017 -0.00242 144 6PZ 0.00166 0.00133 -0.00038 0.00367 0.00446 145 7D 0 -0.00552 0.00412 -0.03109 0.02875 0.01026 146 7D+1 0.00078 0.01600 -0.00733 -0.00693 -0.00928 147 7D-1 0.00564 0.00139 -0.02738 -0.00396 -0.00097 148 7D+2 -0.00181 -0.01883 -0.06464 0.01535 0.00145 149 7D-2 0.00149 -0.00700 0.01147 0.00054 0.01771 150 8D 0 -0.00205 0.00157 -0.01035 0.00958 0.00336 151 8D+1 0.00028 0.00546 -0.00273 -0.00234 -0.00305 152 8D-1 0.00223 0.00043 -0.00895 -0.00075 -0.00032 153 8D+2 -0.00068 -0.00632 -0.02163 0.00492 0.00047 154 8D-2 0.00058 -0.00177 0.00368 0.00011 0.00606 155 8 C 1S 0.00101 -0.00002 -0.00292 0.00048 -0.00220 156 2S -0.00278 -0.00157 0.00888 0.00050 0.00645 157 3S -0.00608 -0.00271 0.00899 0.00329 -0.00070 158 4PX 0.00034 0.00377 -0.00371 0.00059 0.00590 159 4PY -0.00311 -0.00016 0.00633 0.00551 -0.00801 160 4PZ 0.00331 0.01051 -0.01657 -0.00725 -0.00098 161 5PX -0.00172 0.00261 0.00094 0.00104 0.00017 162 5PY 0.00050 -0.00011 0.00001 0.00102 0.00050 163 5PZ 0.00344 0.00593 -0.01019 -0.00409 0.00067 164 9 O 1S -0.00020 -0.00008 0.00019 0.00038 0.00326 165 2S 0.00032 0.00054 -0.00072 -0.00144 -0.00640 166 3S 0.00234 0.00045 -0.00289 -0.00061 -0.01095 167 4PX -0.00016 -0.00771 -0.00278 0.00392 -0.01089 168 4PY 0.00176 -0.00185 -0.00618 -0.00468 0.01522 169 4PZ -0.00239 -0.01223 0.01495 0.00404 -0.00298 170 5PX 0.00023 -0.00447 -0.00121 0.00083 -0.00311 171 5PY 0.00154 -0.00113 -0.00349 -0.00151 0.00345 172 5PZ -0.00253 -0.00742 0.01007 0.00288 -0.00195 11 12 13 14 15 11 6PY 0.00913 12 6PZ -0.00158 0.00901 13 7D 0 0.01439 0.03288 0.75057 14 7D+1 -0.01409 0.00705 0.00117 0.74344 15 7D-1 0.03088 -0.03889 0.00065 -0.00097 0.75373 16 7D+2 0.01085 -0.00303 0.00018 -0.00509 -0.00244 17 7D-2 -0.02249 -0.01047 0.00171 0.00101 -0.00207 18 8D 0 0.00470 0.01083 0.24811 0.00129 0.00009 19 8D+1 -0.00447 0.00224 0.00135 0.24551 0.00059 20 8D-1 0.01064 -0.01317 0.00014 0.00025 0.24928 21 8D+2 0.00368 -0.00125 -0.00084 -0.00101 0.00039 22 8D-2 -0.00768 -0.00332 -0.00006 -0.00036 0.00005 23 2 Cu 1S 0.00003 0.00049 -0.00027 0.00203 0.00059 24 2S -0.00909 0.00709 0.00238 0.02894 -0.00485 25 3S -0.00985 0.01910 0.04152 0.13639 -0.09380 26 4PX -0.00088 -0.00072 -0.00783 -0.00126 0.00585 27 4PY 0.00430 0.00359 0.00705 0.00856 0.00087 28 4PZ -0.00178 -0.00120 -0.00354 -0.00940 0.00998 29 5PX -0.00286 0.00685 0.02774 0.02742 -0.02897 30 5PY 0.00274 0.00118 -0.01668 -0.03670 -0.01025 31 5PZ -0.00258 0.00622 0.01882 0.03953 -0.03653 32 6PX -0.00055 -0.00134 -0.00286 0.02060 -0.00027 33 6PY 0.00007 0.00009 -0.01092 0.00284 -0.00593 34 6PZ 0.00134 0.00017 0.00030 0.00805 0.00006 35 7D 0 0.00622 -0.00209 0.01448 -0.01183 0.00831 36 7D+1 -0.00657 -0.00266 -0.01042 -0.00201 0.01768 37 7D-1 -0.01875 0.01285 0.00726 0.01607 0.00344 38 7D+2 0.00000 0.01087 -0.00527 0.01062 0.01281 39 7D-2 0.00670 0.00334 0.01850 0.00047 0.00264 40 8D 0 0.00226 -0.00080 0.00058 -0.00395 0.00086 41 8D+1 -0.00223 -0.00047 -0.00081 -0.00073 0.00357 42 8D-1 -0.00620 0.00433 0.00185 0.00335 -0.00018 43 8D+2 -0.00017 0.00395 -0.00228 0.00246 0.00126 44 8D-2 0.00191 0.00129 0.00338 0.00008 -0.00073 45 3 Cu 1S 0.00073 -0.00019 -0.00154 0.00027 0.00322 46 2S 0.01114 -0.00634 -0.01270 0.00009 0.01933 47 3S 0.01536 -0.01461 -0.00936 -0.00268 0.08389 48 4PX -0.00019 0.00501 -0.00071 -0.00231 -0.00058 49 4PY -0.00352 0.00202 -0.00078 0.00040 -0.00019 50 4PZ 0.00028 -0.00123 -0.00182 0.00085 0.00205 51 5PX 0.00103 -0.00114 0.00273 0.00514 -0.00151 52 5PY 0.00019 0.00330 0.00746 -0.00209 -0.01811 53 5PZ 0.00414 -0.00175 0.00839 0.00102 0.01141 54 6PX -0.00023 0.00166 -0.00532 0.00399 -0.00402 55 6PY -0.00229 0.00149 0.00747 -0.00031 -0.00564 56 6PZ -0.00155 -0.00209 0.00273 0.00174 0.00265 57 7D 0 -0.01085 -0.00585 0.00022 0.00352 0.00452 58 7D+1 0.00941 0.00417 -0.00186 0.00038 -0.00267 59 7D-1 -0.00159 -0.00920 -0.00002 -0.00123 -0.00601 60 7D+2 -0.00301 -0.00810 0.00612 -0.00119 -0.00138 61 7D-2 -0.00101 -0.00046 -0.00142 -0.00048 -0.00111 62 8D 0 -0.00352 -0.00190 0.00047 0.00133 0.00167 63 8D+1 0.00323 0.00132 -0.00070 0.00091 -0.00106 64 8D-1 -0.00068 -0.00296 0.00060 -0.00092 -0.00385 65 8D+2 -0.00103 -0.00271 0.00297 -0.00031 -0.00147 66 8D-2 -0.00024 -0.00014 -0.00077 -0.00012 -0.00077 67 4 Cu 1S 0.00058 -0.00069 0.00128 0.00154 0.00147 68 2S 0.01117 -0.00754 0.01055 0.01131 0.00617 69 3S 0.01483 -0.01549 0.01736 0.02001 0.06669 70 4PX 0.00062 0.00242 -0.00015 -0.00105 0.00058 71 4PY -0.00308 -0.00082 -0.00217 0.00009 -0.00067 72 4PZ 0.00116 0.00087 -0.00238 0.00147 0.00136 73 5PX -0.00348 0.00421 0.00262 0.00108 -0.01469 74 5PY -0.00001 0.00542 0.00286 -0.00673 -0.01723 75 5PZ 0.00077 -0.00025 0.00912 -0.00089 0.00074 76 6PX 0.00036 -0.00125 -0.00537 -0.00328 0.00558 77 6PY -0.00082 0.00050 0.00241 -0.00920 -0.00581 78 6PZ 0.00067 -0.00144 0.00269 -0.00690 0.00419 79 7D 0 -0.00467 -0.00705 -0.00136 -0.00469 -0.00472 80 7D+1 0.01251 0.00020 0.00057 -0.00256 -0.00100 81 7D-1 0.00191 0.00424 -0.00109 -0.00168 -0.00039 82 7D+2 -0.00713 -0.01299 -0.00331 -0.00067 -0.00059 83 7D-2 0.00009 0.00109 0.00171 0.00213 0.00295 84 8D 0 -0.00163 -0.00222 -0.00019 -0.00215 -0.00255 85 8D+1 0.00416 -0.00005 -0.00065 -0.00068 -0.00040 86 8D-1 0.00049 0.00148 -0.00063 -0.00120 -0.00014 87 8D+2 -0.00233 -0.00444 -0.00136 -0.00031 -0.00042 88 8D-2 0.00009 0.00004 0.00031 0.00137 0.00241 89 5 Cu 1S 0.00000 -0.00060 -0.00005 0.00200 0.00049 90 2S -0.00964 -0.00038 -0.00826 0.02275 0.00387 91 3S -0.01270 -0.00166 -0.06170 0.07913 -0.02469 92 4PX 0.00087 -0.00572 -0.00730 0.00140 0.00266 93 4PY 0.00360 -0.00579 -0.00660 0.00248 0.00026 94 4PZ 0.00008 0.00611 -0.00360 -0.00678 -0.00317 95 5PX 0.00439 0.00220 0.02580 -0.01528 -0.01140 96 5PY 0.00366 0.00218 0.02950 -0.01916 -0.00219 97 5PZ 0.00258 0.00187 0.02812 0.01321 0.01394 98 6PX -0.00184 0.00094 -0.00016 -0.01122 -0.00773 99 6PY 0.00113 0.00436 0.01272 0.00879 -0.00847 100 6PZ 0.00173 -0.00186 -0.00019 -0.02229 0.01577 101 7D 0 0.00175 0.00189 -0.00853 0.00677 0.00451 102 7D+1 -0.00922 -0.00231 0.00639 0.02048 0.01338 103 7D-1 -0.01232 0.02437 0.00462 0.01667 -0.00074 104 7D+2 0.00219 0.01152 0.00611 -0.00056 -0.00303 105 7D-2 0.01411 -0.01108 0.00504 -0.00590 -0.00050 106 8D 0 0.00043 0.00073 -0.00224 0.00232 0.00158 107 8D+1 -0.00340 -0.00087 -0.00076 0.00316 0.00162 108 8D-1 -0.00383 0.00794 0.00022 0.00317 -0.00023 109 8D+2 0.00070 0.00366 0.00288 0.00036 0.00067 110 8D-2 0.00477 -0.00377 0.00105 -0.00113 -0.00069 111 6 Cu 1S 0.00062 0.00085 -0.00010 -0.00031 0.00054 112 2S -0.00272 0.00230 0.00913 -0.02284 0.00062 113 3S -0.00397 0.01933 0.07314 -0.14595 -0.03869 114 4PX 0.00042 0.00345 0.00819 -0.00554 -0.00107 115 4PY 0.00293 0.00252 0.00339 -0.00464 0.00249 116 4PZ -0.00087 -0.00074 -0.00414 0.01187 0.00364 117 5PX 0.00405 -0.00162 -0.03681 0.04228 0.00323 118 5PY 0.00089 0.00627 -0.00192 0.01471 -0.04225 119 5PZ -0.00650 0.00492 0.04385 -0.06621 -0.01629 120 6PX 0.00093 0.00121 0.01108 -0.00205 -0.00256 121 6PY -0.00829 -0.00307 0.00056 -0.00271 -0.01513 122 6PZ 0.00456 0.00279 0.00350 -0.00606 0.01492 123 7D 0 -0.00328 -0.00587 0.00987 0.01276 0.00527 124 7D+1 -0.00640 0.00169 0.01371 -0.00856 -0.01209 125 7D-1 -0.01208 0.00300 0.00242 -0.00968 0.01446 126 7D+2 -0.00403 0.01323 -0.00893 -0.00795 0.00918 127 7D-2 0.00700 -0.00429 -0.01174 0.00190 -0.01219 128 8D 0 -0.00082 -0.00184 0.00120 0.00184 0.00009 129 8D+1 -0.00198 0.00057 0.00170 -0.00135 -0.00331 130 8D-1 -0.00416 0.00093 0.00077 -0.00133 0.00229 131 8D+2 -0.00099 0.00451 -0.00126 -0.00106 0.00170 132 8D-2 0.00262 -0.00128 -0.00112 0.00087 -0.00233 133 7 Cu 1S -0.00008 0.00014 -0.00015 -0.00045 -0.00007 134 2S -0.00348 0.00410 -0.00359 -0.01354 -0.00432 135 3S -0.01368 0.00655 -0.05519 -0.04857 -0.03976 136 4PX -0.00256 0.00026 -0.00194 -0.00074 -0.00082 137 4PY -0.00449 -0.00465 -0.00903 0.00034 -0.00472 138 4PZ 0.00472 0.00445 0.00081 0.00029 -0.00494 139 5PX -0.00192 0.00090 0.00782 0.00952 -0.01161 140 5PY 0.00868 0.00091 0.04704 -0.00372 0.00409 141 5PZ 0.00312 0.00183 0.01026 -0.00300 0.02361 142 6PX 0.00026 0.00241 -0.01296 -0.00145 -0.00844 143 6PY 0.00356 0.00338 -0.00225 0.00524 -0.00645 144 6PZ -0.00299 -0.00264 0.00468 0.00529 -0.00033 145 7D 0 -0.00520 -0.00902 -0.00694 0.00006 -0.01219 146 7D+1 -0.00080 0.01745 0.00037 -0.00873 0.00200 147 7D-1 -0.00923 0.01824 -0.01066 0.00228 0.02244 148 7D+2 -0.01201 -0.00732 -0.00495 -0.00364 -0.00814 149 7D-2 0.00530 -0.00117 -0.00208 -0.00715 0.00221 150 8D 0 -0.00177 -0.00298 -0.00148 -0.00001 -0.00234 151 8D+1 -0.00027 0.00573 0.00059 -0.00239 0.00096 152 8D-1 -0.00327 0.00618 -0.00374 0.00105 0.00311 153 8D+2 -0.00406 -0.00240 -0.00076 -0.00128 -0.00223 154 8D-2 0.00188 -0.00036 -0.00107 -0.00272 0.00070 155 8 C 1S -0.00094 0.00264 0.00039 -0.00206 0.00254 156 2S 0.00044 -0.00679 -0.00135 0.00347 -0.00347 157 3S 0.00612 -0.00121 0.00434 0.01487 -0.03449 158 4PX -0.01030 -0.00612 -0.00163 0.00288 0.00270 159 4PY 0.00878 0.00337 -0.00256 0.00853 -0.00403 160 4PZ 0.00008 0.00133 -0.00285 -0.00216 0.00103 161 5PX -0.00049 -0.00043 -0.00091 0.00503 0.00460 162 5PY 0.00067 -0.00043 0.01208 -0.01211 -0.00262 163 5PZ -0.00162 0.00014 -0.00156 0.00120 -0.00095 164 9 O 1S -0.00478 -0.00294 -0.00020 0.00046 -0.00054 165 2S 0.00909 0.00575 -0.00024 0.00031 0.00116 166 3S 0.01255 0.00939 0.00428 -0.00928 0.00548 167 4PX -0.00069 0.00146 0.00310 -0.00460 -0.00009 168 4PY -0.02230 -0.01579 0.00244 -0.00600 0.00454 169 4PZ 0.00766 0.00027 0.00192 0.00609 -0.00253 170 5PX -0.00175 -0.00074 0.00015 -0.00183 -0.00144 171 5PY -0.00712 -0.00433 -0.00042 -0.00329 0.00436 172 5PZ 0.00409 0.00029 0.00123 0.00317 -0.00211 16 17 18 19 20 16 7D+2 0.74856 17 7D-2 -0.00049 0.75178 18 8D 0 -0.00085 -0.00004 0.08211 19 8D+1 -0.00093 -0.00046 0.00077 0.08114 20 8D-1 0.00024 0.00002 0.00002 0.00041 0.08262 21 8D+2 0.24731 -0.00066 -0.00061 -0.00009 0.00049 22 8D-2 -0.00052 0.24905 -0.00020 -0.00038 0.00023 23 2 Cu 1S 0.00142 -0.00019 0.00008 0.00088 0.00006 24 2S 0.01300 -0.00485 0.00032 0.00968 -0.00217 25 3S 0.04039 -0.01274 0.01407 0.04566 -0.03114 26 4PX 0.00493 0.00117 -0.00213 0.00032 0.00132 27 4PY 0.00200 0.00054 0.00161 0.00198 0.00138 28 4PZ -0.00188 0.00810 0.00055 -0.00134 0.00167 29 5PX -0.01810 -0.00833 0.00927 0.00931 -0.00972 30 5PY -0.00270 -0.00276 -0.00556 -0.01237 -0.00332 31 5PZ 0.02250 -0.03029 0.00635 0.01325 -0.01243 32 6PX 0.01579 0.01461 -0.00084 0.00697 0.00013 33 6PY 0.01019 0.00832 -0.00342 0.00093 -0.00226 34 6PZ 0.00273 -0.01444 0.00002 0.00278 0.00052 35 7D 0 -0.00157 0.01569 0.00090 -0.00415 0.00033 36 7D+1 0.01177 0.00343 -0.00103 -0.00160 0.00337 37 7D-1 0.01299 0.00353 0.00149 0.00336 0.00016 38 7D+2 0.00799 -0.00054 -0.00284 0.00206 0.00164 39 7D-2 0.00008 -0.00150 0.00332 0.00011 0.00001 40 8D 0 0.00110 0.00169 -0.00111 -0.00140 -0.00052 41 8D+1 0.00180 0.00157 0.00054 -0.00055 0.00034 42 8D-1 0.00275 -0.00040 0.00031 0.00046 -0.00039 43 8D+2 0.00126 -0.00174 -0.00113 0.00033 -0.00048 44 8D-2 0.00059 -0.00092 0.00017 0.00001 -0.00056 45 3 Cu 1S 0.00141 -0.00006 -0.00056 0.00015 0.00113 46 2S 0.00908 0.00255 -0.00466 -0.00017 0.00854 47 3S 0.03103 -0.03669 -0.00377 -0.00055 0.02998 48 4PX 0.00076 0.00121 -0.00027 -0.00083 -0.00018 49 4PY -0.00274 0.00060 -0.00047 0.00023 -0.00018 50 4PZ -0.00105 0.00093 -0.00083 0.00026 0.00043 51 5PX -0.00514 -0.00873 0.00093 0.00147 -0.00046 52 5PY 0.00137 0.01033 0.00279 -0.00079 -0.00624 53 5PZ 0.00957 -0.01135 0.00276 0.00041 0.00455 54 6PX 0.00129 0.00332 -0.00181 0.00128 -0.00154 55 6PY 0.00049 0.00329 0.00250 -0.00012 -0.00178 56 6PZ 0.00753 0.00474 0.00094 0.00062 0.00066 57 7D 0 -0.00034 0.00049 0.00072 0.00143 0.00178 58 7D+1 0.00012 -0.00384 -0.00071 0.00077 -0.00078 59 7D-1 -0.00486 0.00015 0.00092 -0.00111 -0.00385 60 7D+2 -0.00228 0.00348 0.00281 -0.00030 -0.00116 61 7D-2 -0.00134 0.00099 -0.00081 0.00001 -0.00068 62 8D 0 0.00054 0.00003 0.00037 0.00053 0.00067 63 8D+1 -0.00027 -0.00208 -0.00029 0.00051 -0.00032 64 8D-1 -0.00200 0.00063 0.00049 -0.00054 -0.00193 65 8D+2 -0.00073 0.00155 0.00129 -0.00007 -0.00071 66 8D-2 -0.00029 0.00091 -0.00038 0.00003 -0.00036 67 4 Cu 1S 0.00023 -0.00283 0.00041 0.00057 0.00053 68 2S -0.00053 -0.01755 0.00418 0.00408 0.00330 69 3S 0.01062 -0.05457 0.00656 0.00775 0.02304 70 4PX 0.00167 0.00220 -0.00010 -0.00042 0.00041 71 4PY -0.00212 -0.00002 -0.00071 0.00035 -0.00024 72 4PZ 0.00007 -0.00079 -0.00089 0.00054 0.00063 73 5PX -0.01006 0.00084 0.00092 0.00039 -0.00521 74 5PY 0.00550 0.01081 0.00047 -0.00271 -0.00605 75 5PZ 0.00569 -0.00710 0.00295 -0.00006 -0.00004 76 6PX -0.00820 0.00131 -0.00176 -0.00111 0.00215 77 6PY 0.00905 0.00427 0.00076 -0.00309 -0.00176 78 6PZ 0.00641 -0.00484 0.00083 -0.00228 0.00158 79 7D 0 0.00205 -0.00143 -0.00041 -0.00207 -0.00253 80 7D+1 -0.00124 0.00497 -0.00039 -0.00067 -0.00008 81 7D-1 0.00066 0.00202 -0.00074 -0.00149 0.00013 82 7D+2 0.00099 -0.00077 -0.00142 -0.00052 -0.00041 83 7D-2 0.00474 -0.00486 0.00039 0.00156 0.00237 84 8D 0 0.00102 -0.00020 -0.00007 -0.00091 -0.00120 85 8D+1 -0.00073 0.00231 -0.00040 -0.00017 -0.00004 86 8D-1 0.00031 0.00125 -0.00033 -0.00073 0.00002 87 8D+2 0.00118 0.00048 -0.00057 -0.00021 -0.00021 88 8D-2 0.00183 -0.00282 0.00005 0.00073 0.00128 89 5 Cu 1S 0.00145 -0.00011 -0.00019 0.00069 0.00024 90 2S 0.01896 0.01152 -0.00227 0.00800 0.00010 91 3S 0.09164 0.11172 -0.02071 0.02638 -0.00771 92 4PX 0.00481 0.01450 -0.00079 0.00029 0.00060 93 4PY 0.00937 0.00179 -0.00119 0.00075 -0.00029 94 4PZ -0.00033 0.00048 -0.00135 -0.00251 -0.00117 95 5PX -0.03422 -0.06048 0.00867 -0.00515 -0.00376 96 5PY -0.02899 -0.00060 0.00990 -0.00651 -0.00067 97 5PZ 0.00003 -0.01081 0.00936 0.00425 0.00462 98 6PX -0.01086 -0.00543 -0.00010 -0.00391 -0.00310 99 6PY -0.00050 0.00247 0.00404 0.00270 -0.00285 100 6PZ -0.01133 0.00495 0.00006 -0.00734 0.00508 101 7D 0 0.00304 0.00674 -0.00198 0.00284 0.00206 102 7D+1 -0.00068 -0.00765 0.00003 0.00312 0.00114 103 7D-1 -0.00428 -0.00089 0.00022 0.00281 -0.00052 104 7D+2 0.01343 -0.02156 0.00305 0.00004 0.00008 105 7D-2 -0.02084 -0.00316 0.00077 -0.00157 -0.00082 106 8D 0 -0.00008 0.00263 -0.00045 0.00098 0.00070 107 8D+1 0.00092 -0.00176 -0.00095 -0.00017 -0.00060 108 8D-1 -0.00073 -0.00068 -0.00038 0.00014 -0.00012 109 8D+2 0.00096 -0.00241 0.00130 0.00019 0.00059 110 8D-2 -0.00443 -0.00214 0.00004 -0.00025 -0.00044 111 6 Cu 1S -0.00021 -0.00035 -0.00008 -0.00007 0.00029 112 2S -0.00580 -0.00091 0.00303 -0.00739 0.00019 113 3S 0.00495 0.02173 0.02403 -0.04903 -0.01322 114 4PX -0.00052 0.00283 0.00261 -0.00098 -0.00002 115 4PY 0.00151 -0.00167 0.00088 -0.00120 0.00159 116 4PZ -0.00345 -0.00105 -0.00042 0.00303 0.00076 117 5PX -0.01280 -0.02473 -0.01194 0.01400 0.00126 118 5PY 0.00259 0.02774 -0.00073 0.00476 -0.01383 119 5PZ 0.02480 -0.00096 0.01464 -0.02173 -0.00616 120 6PX 0.00538 0.01076 0.00365 -0.00071 -0.00077 121 6PY 0.00036 0.00918 0.00026 -0.00104 -0.00533 122 6PZ -0.00471 -0.00281 0.00113 -0.00196 0.00512 123 7D 0 -0.01197 -0.01271 0.00076 0.00331 0.00025 124 7D+1 -0.00464 0.00340 0.00312 -0.00299 -0.00231 125 7D-1 0.00665 -0.01281 0.00080 -0.00156 0.00287 126 7D+2 0.00030 -0.00100 -0.00211 -0.00119 0.00197 127 7D-2 -0.00149 0.00228 -0.00209 0.00074 -0.00225 128 8D 0 -0.00128 -0.00342 -0.00042 0.00030 -0.00045 129 8D+1 -0.00089 0.00046 0.00009 -0.00049 -0.00053 130 8D-1 0.00077 -0.00224 0.00027 0.00007 0.00014 131 8D+2 -0.00016 0.00073 -0.00013 0.00011 0.00025 132 8D-2 -0.00072 0.00042 0.00020 0.00033 -0.00016 133 7 Cu 1S -0.00066 -0.00015 -0.00006 -0.00021 -0.00013 134 2S -0.01538 -0.00085 -0.00126 -0.00489 -0.00223 135 3S -0.13889 0.00811 -0.01824 -0.01751 -0.01434 136 4PX -0.00022 -0.00625 -0.00050 -0.00020 -0.00023 137 4PY -0.01561 0.00138 -0.00189 0.00013 -0.00091 138 4PZ 0.00346 -0.00067 -0.00015 0.00002 -0.00227 139 5PX -0.01058 0.01261 0.00288 0.00312 -0.00401 140 5PY 0.07645 0.00474 0.01565 -0.00119 0.00180 141 5PZ -0.00245 -0.01238 0.00346 -0.00074 0.00780 142 6PX -0.01381 -0.00905 -0.00422 -0.00055 -0.00303 143 6PY 0.00015 0.00469 -0.00081 0.00173 -0.00248 144 6PZ 0.02147 -0.00673 0.00163 0.00193 -0.00007 145 7D 0 -0.00542 -0.00071 -0.00201 0.00038 -0.00099 146 7D+1 -0.00325 -0.00675 0.00071 -0.00279 0.00048 147 7D-1 -0.00444 0.00240 -0.00284 0.00072 0.00345 148 7D+2 -0.01841 0.00555 -0.00136 -0.00079 -0.00069 149 7D-2 0.00321 0.02652 -0.00121 -0.00226 0.00053 150 8D 0 -0.00153 0.00071 -0.00037 0.00014 0.00023 151 8D+1 -0.00055 -0.00117 0.00040 -0.00076 0.00029 152 8D-1 -0.00091 0.00082 -0.00102 0.00033 -0.00030 153 8D+2 -0.00408 0.00097 -0.00017 -0.00028 -0.00008 154 8D-2 0.00165 0.00433 -0.00053 -0.00087 0.00015 155 8 C 1S -0.00053 -0.00175 0.00011 -0.00055 0.00064 156 2S 0.00075 0.00248 -0.00044 0.00114 -0.00109 157 3S 0.01057 0.02533 0.00122 0.00486 -0.01102 158 4PX -0.00106 -0.00629 -0.00016 0.00107 0.00083 159 4PY 0.00202 0.00090 -0.00114 0.00281 -0.00089 160 4PZ -0.00998 -0.00594 -0.00080 -0.00035 0.00011 161 5PX -0.00382 -0.00376 -0.00021 0.00170 0.00150 162 5PY 0.00647 0.00262 0.00401 -0.00399 -0.00077 163 5PZ -0.00857 -0.00237 -0.00046 0.00048 -0.00036 164 9 O 1S -0.00006 0.00020 -0.00013 0.00010 0.00001 165 2S -0.00032 -0.00035 0.00007 0.00015 0.00001 166 3S 0.00195 -0.00294 0.00141 -0.00302 0.00154 167 4PX -0.00010 0.00443 0.00076 -0.00159 0.00026 168 4PY -0.00164 -0.00071 0.00108 -0.00197 0.00127 169 4PZ 0.00632 0.00772 0.00055 0.00220 -0.00053 170 5PX 0.00065 0.00355 -0.00005 -0.00065 -0.00040 171 5PY -0.00239 -0.00224 -0.00013 -0.00109 0.00141 172 5PZ 0.00600 0.00558 0.00032 0.00108 -0.00053 21 22 23 24 25 21 8D+2 0.08179 22 8D-2 -0.00038 0.08265 23 2 Cu 1S 0.00048 -0.00023 1.00535 24 2S 0.00459 -0.00053 0.00734 0.17689 25 3S 0.01358 -0.00484 0.00672 0.08060 0.21025 26 4PX 0.00177 -0.00016 -0.00308 -0.01964 0.03709 27 4PY 0.00079 0.00111 -0.00071 -0.00391 0.00937 28 4PZ -0.00066 0.00176 -0.00102 -0.00566 0.01281 29 5PX -0.00592 -0.00281 0.00243 0.02695 0.06076 30 5PY -0.00092 -0.00093 0.00063 0.00488 0.01758 31 5PZ 0.00746 -0.01013 0.00078 0.00652 0.02320 32 6PX 0.00529 0.00455 0.00134 -0.00976 0.01703 33 6PY 0.00322 0.00262 0.00019 -0.00930 0.00443 34 6PZ 0.00117 -0.00498 0.00043 -0.00836 0.00779 35 7D 0 0.00055 0.00161 0.00024 0.00127 0.00728 36 7D+1 0.00145 0.00224 -0.00012 -0.00167 -0.03864 37 7D-1 0.00290 0.00000 0.00009 0.01001 0.08038 38 7D+2 0.00140 -0.00130 -0.00056 -0.00393 -0.03575 39 7D-2 0.00106 -0.00103 -0.00001 -0.00246 -0.04174 40 8D 0 0.00073 -0.00067 0.00002 -0.00012 0.00187 41 8D+1 -0.00023 0.00090 -0.00002 0.00111 -0.01155 42 8D-1 0.00045 -0.00054 0.00015 0.00228 0.02619 43 8D+2 0.00000 -0.00094 -0.00013 0.00016 -0.01066 44 8D-2 0.00055 -0.00045 -0.00002 0.00089 -0.01263 45 3 Cu 1S 0.00048 -0.00003 -0.00122 -0.00334 -0.00034 46 2S 0.00373 0.00048 -0.00346 0.07968 0.00745 47 3S 0.01141 -0.01196 -0.00041 0.00600 -0.06085 48 4PX 0.00026 0.00068 0.00067 0.00968 0.00883 49 4PY -0.00081 0.00020 0.00148 0.01373 0.00741 50 4PZ -0.00048 0.00037 -0.00081 -0.00516 -0.00151 51 5PX -0.00172 -0.00333 0.00067 -0.02393 0.00270 52 5PY -0.00016 0.00352 0.00072 -0.02237 0.00457 53 5PZ 0.00314 -0.00364 -0.00033 0.00045 -0.01028 54 6PX 0.00038 0.00134 0.00075 0.00447 0.01266 55 6PY 0.00020 0.00099 0.00032 0.00940 0.01742 56 6PZ 0.00253 0.00173 0.00013 -0.00630 -0.00859 57 7D 0 0.00036 0.00027 -0.00105 -0.01268 -0.05058 58 7D+1 -0.00009 -0.00217 0.00008 -0.00417 -0.02719 59 7D-1 -0.00204 0.00045 0.00068 -0.00229 -0.08128 60 7D+2 -0.00108 0.00154 0.00142 0.01142 0.02363 61 7D-2 -0.00024 0.00113 0.00188 0.02630 0.13680 62 8D 0 0.00033 0.00005 -0.00043 -0.00401 -0.01727 63 8D+1 -0.00013 -0.00102 -0.00014 -0.00037 -0.00962 64 8D-1 -0.00083 0.00035 0.00012 -0.00141 -0.02698 65 8D+2 -0.00036 0.00067 0.00043 0.00418 0.00785 66 8D-2 -0.00002 0.00056 0.00087 0.00878 0.04566 67 4 Cu 1S 0.00009 -0.00099 0.00035 -0.00135 -0.00140 68 2S 0.00001 -0.00761 -0.00134 -0.05501 -0.00916 69 3S 0.00401 -0.02006 -0.00138 -0.00909 0.02960 70 4PX 0.00081 0.00063 -0.00094 0.00426 -0.00586 71 4PY -0.00079 0.00011 -0.00062 -0.00182 0.00134 72 4PZ -0.00007 -0.00009 0.00040 0.00752 -0.00450 73 5PX -0.00336 0.00091 0.00076 -0.00917 0.00266 74 5PY 0.00166 0.00377 0.00060 0.00410 0.00127 75 5PZ 0.00202 -0.00273 0.00020 -0.01706 -0.00249 76 6PX -0.00270 0.00030 -0.00057 -0.01209 -0.01696 77 6PY 0.00301 0.00133 -0.00039 -0.00640 -0.01530 78 6PZ 0.00222 -0.00166 0.00033 0.00754 0.00302 79 7D 0 0.00074 -0.00028 0.00172 0.00972 0.03437 80 7D+1 -0.00081 0.00216 -0.00090 -0.00776 -0.00693 81 7D-1 0.00026 0.00138 -0.00067 -0.00723 0.02589 82 7D+2 0.00118 0.00007 -0.00191 -0.01394 -0.04459 83 7D-2 0.00174 -0.00291 -0.00252 -0.01384 -0.07391 84 8D 0 0.00039 -0.00002 0.00063 0.00420 0.01286 85 8D+1 -0.00038 0.00096 -0.00031 -0.00314 -0.00264 86 8D-1 0.00011 0.00066 -0.00026 -0.00212 0.00818 87 8D+2 0.00068 0.00025 -0.00061 -0.00578 -0.01616 88 8D-2 0.00069 -0.00140 -0.00091 -0.00616 -0.02601 89 5 Cu 1S 0.00065 0.00019 0.00040 -0.00128 -0.00074 90 2S 0.00611 0.00389 -0.00126 -0.05538 -0.01002 91 3S 0.03076 0.03738 -0.00065 -0.01088 0.02961 92 4PX -0.00001 0.00264 -0.00077 0.00521 -0.00742 93 4PY 0.00249 -0.00110 0.00037 0.00669 -0.00524 94 4PZ 0.00005 0.00019 -0.00082 -0.00192 -0.00159 95 5PX -0.01146 -0.02043 0.00061 -0.01061 0.00225 96 5PY -0.00974 -0.00029 0.00013 -0.01529 -0.00276 97 5PZ -0.00010 -0.00356 0.00040 0.00457 0.00273 98 6PX -0.00379 -0.00147 -0.00033 -0.00947 -0.01430 99 6PY -0.00021 0.00116 0.00048 0.00379 0.00258 100 6PZ -0.00386 0.00154 -0.00071 -0.00951 -0.01839 101 7D 0 0.00007 0.00218 0.00036 0.00453 -0.00207 102 7D+1 0.00055 -0.00240 -0.00292 -0.01748 -0.07859 103 7D-1 -0.00104 -0.00050 -0.00048 -0.00680 0.02404 104 7D+2 0.00037 -0.00250 -0.00230 -0.01411 -0.04019 105 7D-2 -0.00460 -0.00147 -0.00051 -0.00459 -0.00703 106 8D 0 -0.00035 0.00086 0.00008 0.00180 -0.00048 107 8D+1 0.00056 -0.00053 -0.00103 -0.00752 -0.02796 108 8D-1 -0.00011 -0.00030 -0.00018 -0.00183 0.00764 109 8D+2 -0.00105 0.00077 -0.00080 -0.00611 -0.01508 110 8D-2 -0.00071 -0.00085 -0.00017 -0.00192 -0.00235 111 6 Cu 1S -0.00007 -0.00019 -0.00167 -0.00255 -0.00327 112 2S -0.00168 -0.00029 -0.00414 0.05199 0.01103 113 3S 0.00097 0.00745 -0.00385 -0.00645 -0.07306 114 4PX -0.00060 0.00083 0.00176 0.02585 0.01620 115 4PY 0.00043 -0.00103 -0.00045 -0.00348 0.00489 116 4PZ -0.00102 0.00002 -0.00024 -0.00048 0.00211 117 5PX -0.00429 -0.00876 0.00267 -0.05170 0.01746 118 5PY 0.00075 0.00901 0.00005 -0.00164 -0.01911 119 5PZ 0.00815 -0.00009 -0.00025 -0.00515 -0.01451 120 6PX 0.00175 0.00364 0.00083 0.01170 0.00669 121 6PY 0.00014 0.00318 0.00021 0.00597 -0.00212 122 6PZ -0.00170 -0.00091 0.00004 -0.00298 -0.00437 123 7D 0 -0.00272 -0.00335 -0.00027 -0.01080 -0.06498 124 7D+1 -0.00071 -0.00003 0.00149 0.00646 0.03246 125 7D-1 0.00115 -0.00271 0.00028 0.01644 0.03425 126 7D+2 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0.00030 0.00064 68 2S 0.01866 -0.00310 0.00449 0.00074 0.00608 69 3S 0.06488 -0.00732 0.04082 -0.00471 0.03256 70 4PX -0.00011 0.00120 0.00261 0.00046 0.00025 71 4PY -0.00750 0.00030 -0.00004 -0.00148 0.00061 72 4PZ 0.00034 -0.00174 -0.00023 -0.00007 0.00233 73 5PX -0.00863 0.00022 -0.02228 -0.00254 -0.01043 74 5PY 0.01782 -0.00523 -0.00108 0.00337 -0.00621 75 5PZ -0.01028 0.00423 -0.00477 -0.00228 -0.01473 76 6PX -0.01407 0.00377 -0.00222 -0.00187 -0.00213 77 6PY -0.01691 0.00295 0.00168 0.00362 -0.00348 78 6PZ 0.01404 0.00015 -0.00051 -0.00271 -0.00146 79 7D 0 -0.00326 0.00211 0.00040 -0.00110 0.00031 80 7D+1 -0.00101 0.00299 -0.00293 -0.00057 -0.00316 81 7D-1 0.01954 0.00052 -0.00116 0.00028 0.00044 82 7D+2 -0.00302 -0.00293 -0.00299 -0.00187 -0.00219 83 7D-2 0.01863 0.00012 -0.00175 0.00237 0.00172 84 8D 0 -0.00198 -0.00051 -0.00105 -0.00083 0.00118 85 8D+1 0.00022 0.00063 -0.00090 -0.00014 -0.00060 86 8D-1 0.00321 0.00015 -0.00048 -0.00003 0.00064 87 8D+2 -0.00131 -0.00050 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0.00878 0.01393 0.00552 -0.00826 0.07183 161 162 163 164 165 161 5PX 0.00814 162 5PY -0.00271 0.01098 163 5PZ -0.00011 -0.00021 0.01440 164 9 O 1S 0.00204 -0.00336 0.00025 1.05933 165 2S -0.00131 0.00215 -0.00027 -0.12965 0.30261 166 3S 0.00457 -0.00755 -0.00048 -0.12452 0.26258 167 4PX 0.03221 -0.00053 -0.00360 -0.00981 0.01703 168 4PY -0.00054 0.03242 0.00640 0.01602 -0.02777 169 4PZ -0.00292 0.00529 0.02196 0.00307 -0.00601 170 5PX 0.00889 0.00281 -0.00111 -0.00895 0.02144 171 5PY 0.00280 0.00585 0.00218 0.01463 -0.03504 172 5PZ -0.00094 0.00190 0.00334 0.00240 -0.00600 166 167 168 169 170 166 3S 0.26988 167 4PX 0.08036 0.41859 168 4PY -0.13124 -0.00718 0.42641 169 4PZ -0.02334 0.00285 -0.00569 0.43427 170 5PX 0.02975 0.14196 0.03540 0.00763 0.05370 171 5PY -0.04849 0.03547 0.10589 -0.01308 0.01956 172 5PZ -0.01024 0.00658 -0.01134 0.17371 0.00418 171 172 171 5PY 0.03383 172 5PZ -0.00720 0.07205 BETA DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.00537 2 2S 0.00759 0.17699 3 3S 0.00632 0.08792 0.20334 4 4PX -0.00131 -0.00744 0.01466 0.99683 5 4PY -0.00227 -0.01470 0.02670 0.00029 0.99621 6 4PZ 0.00214 0.01239 -0.02420 0.00063 -0.00033 7 5PX 0.00102 0.00990 0.02321 0.01604 0.00161 8 5PY 0.00179 0.02305 0.04912 0.00172 0.02050 9 5PZ -0.00163 -0.01645 -0.03726 -0.00367 -0.00294 10 6PX 0.00044 -0.00225 0.00670 -0.01734 0.00289 11 6PY 0.00095 -0.01622 0.01053 0.00306 -0.00440 12 6PZ -0.00080 0.00398 -0.01042 -0.00855 -0.00588 13 7D 0 -0.00009 0.00026 -0.00129 -0.00145 0.00118 14 7D+1 0.00022 -0.00573 -0.04643 0.00050 -0.00055 15 7D-1 0.00023 0.00505 0.06823 0.00033 -0.00101 16 7D+2 0.00008 -0.00331 -0.03307 -0.00053 0.00147 17 7D-2 -0.00020 -0.00414 -0.05270 0.00054 0.00089 18 8D 0 0.00000 -0.00016 -0.00056 -0.00030 0.00025 19 8D+1 -0.00015 -0.00122 -0.01522 -0.00026 -0.00051 20 8D-1 0.00004 -0.00140 0.02023 -0.00019 -0.00081 21 8D+2 -0.00008 -0.00138 -0.01133 -0.00014 -0.00007 22 8D-2 -0.00006 0.00065 -0.01596 0.00037 0.00056 23 2 Cu 1S -0.00120 -0.00321 -0.00006 0.00040 -0.00085 24 2S -0.00337 0.07922 0.00959 0.00826 -0.00644 25 3S -0.00011 0.01078 -0.05824 0.00821 -0.00194 26 4PX -0.00123 -0.00792 -0.00120 0.00005 0.00038 27 4PY 0.00056 0.00719 0.00626 -0.00091 0.00005 28 4PZ -0.00126 -0.01396 -0.01064 0.00138 0.00000 29 5PX -0.00019 0.00624 -0.00753 -0.00078 -0.00033 30 5PY 0.00036 -0.01786 -0.00210 0.00161 0.00071 31 5PZ -0.00074 0.02764 -0.00540 -0.00113 -0.00266 32 6PX 0.00018 -0.00575 -0.01138 0.00581 -0.00037 33 6PY 0.00067 0.00151 0.00938 0.00675 0.00288 34 6PZ -0.00066 -0.01152 -0.01792 -0.00699 0.00067 35 7D 0 0.00096 0.01466 0.06726 0.00931 -0.00780 36 7D+1 -0.00052 0.00488 0.08817 0.00303 -0.00685 37 7D-1 -0.00186 -0.02644 -0.12923 -0.00677 -0.00277 38 7D+2 -0.00129 -0.00873 0.00345 -0.00339 -0.00337 39 7D-2 0.00012 -0.00344 -0.00972 -0.00088 -0.00047 40 8D 0 0.00049 0.00446 0.02278 0.00232 -0.00236 41 8D+1 0.00004 0.00191 0.02931 -0.00058 -0.00157 42 8D-1 -0.00078 -0.00939 -0.04314 -0.00135 -0.00163 43 8D+2 -0.00043 -0.00233 0.00116 -0.00143 -0.00118 44 8D-2 -0.00011 0.00012 -0.00369 0.00074 -0.00065 45 3 Cu 1S 0.00037 -0.00151 -0.00126 0.00049 0.00096 46 2S -0.00147 -0.05683 -0.01619 0.00710 -0.00086 47 3S -0.00116 -0.01858 0.02446 -0.00333 0.00183 48 4PX 0.00026 0.00756 -0.00465 0.00106 0.00009 49 4PY -0.00045 0.00440 -0.00541 0.00050 -0.00035 50 4PZ 0.00103 -0.00049 0.00181 0.00025 0.00065 51 5PX 0.00003 -0.01711 -0.00244 -0.00300 -0.00041 52 5PY 0.00061 -0.00898 0.00147 -0.00142 0.00034 53 5PZ -0.00050 -0.00058 -0.00323 -0.00118 0.00047 54 6PX 0.00038 0.00234 0.00536 0.00421 0.00064 55 6PY -0.00025 -0.00230 -0.01168 0.00390 -0.00135 56 6PZ 0.00065 0.01648 0.01924 -0.00026 0.00050 57 7D 0 -0.00103 -0.00820 -0.04171 0.00154 -0.00059 58 7D+1 0.00075 0.00910 -0.01539 0.00088 0.00170 59 7D-1 0.00297 0.01599 0.07338 0.00026 0.00100 60 7D+2 0.00163 0.01114 0.01898 0.00094 0.00023 61 7D-2 -0.00059 -0.00611 -0.01369 -0.00167 -0.00016 62 8D 0 -0.00033 -0.00322 -0.01465 0.00055 0.00011 63 8D+1 0.00025 0.00291 -0.00456 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162 5PY 0.00021 -0.01192 -0.00202 -0.00064 -0.00058 163 5PZ 0.00011 0.00477 -0.00048 -0.00166 0.00113 164 9 O 1S -0.00029 -0.00067 0.00144 -0.00007 0.00016 165 2S 0.00060 0.00237 -0.00286 0.00032 -0.00030 166 3S 0.00005 -0.00243 -0.00945 -0.00054 -0.00101 167 4PX 0.00019 0.01067 -0.01321 0.00145 0.00069 168 4PY 0.00018 0.01430 0.00785 0.00137 -0.00125 169 4PZ -0.00039 -0.02076 -0.00447 0.00134 0.00069 170 5PX 0.00022 0.00757 -0.00324 0.00068 0.00087 171 5PY -0.00028 0.00789 0.00058 0.00025 -0.00018 172 5PZ -0.00015 -0.01159 -0.00219 0.00164 -0.00049 6 7 8 9 10 6 4PZ 0.99638 7 5PX -0.00360 0.02409 8 5PY -0.00310 0.00601 0.02154 9 5PZ 0.01946 0.00375 -0.00836 0.02167 10 6PX -0.00843 0.00393 0.00012 0.00171 0.01078 11 6PY -0.00594 0.00038 0.00218 -0.00002 0.00108 12 6PZ -0.00956 0.00190 0.00055 0.00240 0.00173 13 7D 0 0.00087 0.01664 0.01609 0.03541 0.02849 14 7D+1 -0.00135 0.02637 -0.00776 -0.00687 0.02418 15 7D-1 0.00039 -0.00893 0.02137 -0.02934 -0.01116 16 7D+2 0.00128 -0.02276 0.02003 0.00403 -0.02228 17 7D-2 0.00039 -0.03897 -0.01521 -0.00851 -0.05049 18 8D 0 -0.00007 0.00567 0.00516 0.01166 0.00949 19 8D+1 0.00022 0.00862 -0.00261 -0.00203 0.00808 20 8D-1 0.00060 -0.00342 0.00614 -0.00899 -0.00355 21 8D+2 0.00047 -0.00758 0.00617 0.00137 -0.00725 22 8D-2 -0.00015 -0.01265 -0.00448 -0.00331 -0.01687 23 2 Cu 1S 0.00172 0.00058 -0.00029 0.00052 0.00092 24 2S 0.01428 -0.02307 0.00608 -0.02282 0.00604 25 3S 0.00944 -0.00168 -0.00851 0.00620 0.01166 26 4PX -0.00012 0.00261 -0.00054 0.00209 0.00341 27 4PY -0.00095 0.00087 -0.00069 0.00080 0.00704 28 4PZ 0.00074 0.00069 -0.00082 0.00022 -0.00910 29 5PX 0.00084 0.00227 0.00105 0.00125 0.00590 30 5PY -0.00143 -0.00241 0.00081 -0.00458 -0.00035 31 5PZ 0.00140 0.00521 -0.00219 0.00473 0.00470 32 6PX 0.00172 -0.00003 -0.00284 0.00298 -0.00228 33 6PY 0.00561 0.00204 0.00402 -0.00355 -0.00374 34 6PZ -0.00229 0.00250 -0.00571 0.00818 0.00310 35 7D 0 0.00139 -0.02870 0.03264 -0.01717 -0.00858 36 7D+1 0.01079 0.00142 0.02664 -0.04758 -0.00265 37 7D-1 -0.00852 0.02860 -0.00643 0.04075 -0.01415 38 7D+2 0.00210 0.00948 0.01876 0.00617 -0.00459 39 7D-2 -0.00856 0.00685 -0.00593 0.02553 0.01778 40 8D 0 -0.00107 -0.00957 0.01092 -0.00585 -0.00278 41 8D+1 0.00171 0.00030 0.00890 -0.01606 -0.00053 42 8D-1 -0.00156 0.00965 -0.00236 0.01375 -0.00464 43 8D+2 0.00047 0.00301 0.00635 0.00202 -0.00123 44 8D-2 -0.00191 0.00227 -0.00202 0.00839 0.00582 45 3 Cu 1S -0.00052 -0.00016 -0.00050 0.00071 0.00041 46 2S 0.00518 -0.01646 0.00085 -0.01040 0.00693 47 3S -0.00618 -0.00414 -0.00268 0.00112 0.00988 48 4PX 0.00076 -0.00325 -0.00123 -0.00151 0.00390 49 4PY 0.00089 -0.00227 -0.00044 -0.00072 0.00272 50 4PZ -0.00036 -0.00038 0.00056 -0.00007 0.00106 51 5PX -0.00264 0.00947 0.00191 0.00506 0.00060 52 5PY -0.00037 0.00477 0.00483 -0.00078 -0.00375 53 5PZ -0.00097 0.00137 -0.00310 0.00589 0.00420 54 6PX 0.00358 0.00051 0.00305 -0.00332 -0.00109 55 6PY 0.00241 -0.00084 -0.00252 0.00200 0.00145 56 6PZ -0.00286 0.00299 0.00324 -0.00190 -0.00052 57 7D 0 0.00061 -0.00495 -0.00600 0.00634 0.00529 58 7D+1 0.00074 -0.00986 -0.00944 0.00435 0.00101 59 7D-1 -0.00120 -0.00027 0.01255 -0.01476 -0.00084 60 7D+2 -0.00117 -0.00333 0.00064 -0.00438 0.00789 61 7D-2 -0.00048 0.00371 0.00380 0.00311 0.00665 62 8D 0 0.00024 -0.00167 -0.00214 0.00243 0.00184 63 8D+1 0.00028 -0.00367 -0.00288 0.00134 0.00055 64 8D-1 -0.00047 0.00016 0.00489 -0.00515 -0.00056 65 8D+2 -0.00015 -0.00108 0.00017 -0.00200 0.00260 66 8D-2 -0.00009 0.00095 0.00133 0.00109 0.00216 67 4 Cu 1S -0.00069 -0.00049 -0.00047 0.00027 -0.00006 68 2S -0.00463 0.01570 0.00288 0.01109 0.00258 69 3S -0.00071 0.00093 -0.00258 0.00488 0.00858 70 4PX 0.00063 -0.00142 -0.00023 -0.00111 0.00187 71 4PY -0.00007 0.00097 -0.00037 0.00244 -0.00292 72 4PZ 0.00049 -0.00254 0.00103 -0.00209 0.00584 73 5PX -0.00107 0.00867 0.00269 0.00175 -0.00126 74 5PY 0.00132 -0.00069 0.00478 -0.00473 -0.00029 75 5PZ -0.00115 0.00578 -0.00233 0.00690 -0.00002 76 6PX 0.00154 -0.00113 -0.00333 0.00348 -0.00079 77 6PY -0.00163 -0.00205 -0.00353 0.00216 -0.00281 78 6PZ 0.00252 -0.00248 -0.00184 0.00022 0.00138 79 7D 0 -0.00011 0.00472 0.00788 -0.00834 0.00496 80 7D+1 -0.00009 0.00351 -0.00211 0.00416 -0.00535 81 7D-1 -0.00168 0.00979 0.00178 0.00154 0.00331 82 7D+2 -0.00168 0.00231 -0.00432 0.00706 0.00471 83 7D-2 -0.00013 -0.00954 -0.01439 0.00748 -0.00795 84 8D 0 0.00024 0.00190 0.00247 -0.00315 0.00168 85 8D+1 -0.00014 0.00167 -0.00038 0.00145 -0.00177 86 8D-1 -0.00068 0.00330 0.00080 0.00008 0.00110 87 8D+2 -0.00056 0.00098 -0.00134 0.00243 0.00153 88 8D-2 -0.00016 -0.00322 -0.00546 0.00272 -0.00267 89 5 Cu 1S 0.00031 -0.00067 -0.00035 -0.00037 -0.00071 90 2S -0.00200 0.02932 0.00932 0.01204 -0.00910 91 3S -0.00552 -0.00543 -0.00839 0.00409 -0.01972 92 4PX 0.00091 0.00160 0.00123 0.00099 -0.00347 93 4PY 0.00053 -0.00062 -0.00077 -0.00051 -0.00693 94 4PZ -0.00032 0.00268 0.00033 0.00104 0.00213 95 5PX -0.00161 0.00634 0.00242 0.00311 0.00896 96 5PY -0.00189 0.00531 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0.00081 -0.00504 -0.00102 0.00307 0.00362 117 5PX -0.00533 0.00972 0.00184 0.00056 0.00499 118 5PY -0.00025 0.00055 0.00090 0.00016 -0.00478 119 5PZ 0.00289 0.00086 -0.00139 0.00893 -0.00219 120 6PX 0.00253 -0.00285 -0.00148 -0.00274 -0.00091 121 6PY 0.00036 -0.00086 0.00040 0.00004 0.00272 122 6PZ 0.00554 -0.00349 -0.00082 0.00092 -0.00194 123 7D 0 0.00256 0.01457 0.01504 -0.01882 -0.00958 124 7D+1 -0.00839 -0.02118 -0.02091 0.03619 -0.00649 125 7D-1 -0.00472 -0.02407 0.00674 0.02180 -0.00692 126 7D+2 0.00381 0.00082 0.01140 -0.00451 0.00336 127 7D-2 0.00572 0.00122 -0.00626 -0.02067 -0.00346 128 8D 0 -0.00068 0.00420 0.00475 -0.00631 -0.00328 129 8D+1 -0.00134 -0.00696 -0.00679 0.01159 -0.00230 130 8D-1 -0.00082 -0.00789 0.00200 0.00669 -0.00200 131 8D+2 0.00044 0.00060 0.00368 -0.00121 0.00101 132 8D-2 0.00151 0.00010 -0.00198 -0.00671 -0.00137 133 7 Cu 1S 0.00057 0.00016 -0.00180 -0.00015 0.00001 134 2S 0.00529 0.00319 0.00933 -0.00517 0.00160 135 3S 0.00804 -0.00207 -0.01347 0.00395 -0.00170 136 4PX 0.00068 -0.00329 -0.00216 -0.00148 0.00469 137 4PY 0.00076 -0.00034 0.00655 -0.00034 0.00327 138 4PZ 0.00064 -0.00164 0.00234 -0.00212 -0.00027 139 5PX -0.00116 0.00476 0.00194 0.00204 0.00140 140 5PY -0.00465 0.00046 0.00378 -0.00050 -0.00014 141 5PZ -0.00205 0.00232 -0.00248 0.00305 0.00039 142 6PX 0.00069 0.00509 0.00157 0.00194 0.00109 143 6PY 0.00081 0.00289 0.00765 -0.00424 -0.00170 144 6PZ 0.00202 0.00185 -0.00110 0.00277 0.00444 145 7D 0 -0.00533 0.00464 -0.03000 0.02872 0.00949 146 7D+1 -0.00061 0.01418 -0.00196 -0.00411 -0.01030 147 7D-1 0.00758 0.00474 -0.03418 -0.00845 -0.00107 148 7D+2 -0.00248 -0.02028 -0.05902 0.01679 0.00278 149 7D-2 0.00000 -0.00932 0.01668 0.00389 0.01587 150 8D 0 -0.00198 0.00165 -0.00974 0.00946 0.00306 151 8D+1 -0.00023 0.00468 -0.00084 -0.00126 -0.00335 152 8D-1 0.00296 0.00165 -0.01123 -0.00247 -0.00032 153 8D+2 -0.00094 -0.00674 -0.01938 0.00542 0.00088 154 8D-2 0.00001 -0.00267 0.00550 0.00138 0.00534 155 8 C 1S -0.00010 -0.00213 0.00099 0.00343 -0.00270 156 2S 0.00011 0.00384 -0.00139 -0.00709 0.00772 157 3S -0.00187 0.00549 -0.00580 -0.00755 0.00118 158 4PX -0.00130 0.00072 0.00186 0.00498 0.00491 159 4PY -0.00016 0.00542 -0.00421 -0.00227 -0.00672 160 4PZ -0.00095 0.00248 -0.00100 0.00308 -0.00314 161 5PX -0.00188 0.00259 0.00121 0.00151 -0.00001 162 5PY 0.00073 0.00051 -0.00116 0.00023 0.00070 163 5PZ 0.00093 0.00132 -0.00105 0.00220 -0.00060 164 9 O 1S 0.00002 0.00032 -0.00060 -0.00017 0.00337 165 2S -0.00033 -0.00066 0.00163 0.00024 -0.00673 166 3S 0.00135 -0.00139 0.00054 0.00166 -0.01130 167 4PX 0.00088 -0.00582 -0.00646 0.00121 -0.01027 168 4PY -0.00018 -0.00548 0.00080 0.00039 0.01436 169 4PZ 0.00130 -0.00529 0.00133 -0.00532 -0.00099 170 5PX 0.00066 -0.00377 -0.00261 -0.00022 -0.00286 171 5PY 0.00073 -0.00270 -0.00051 0.00054 0.00315 172 5PZ -0.00004 -0.00278 0.00094 -0.00340 -0.00066 11 12 13 14 15 11 6PY 0.00888 12 6PZ -0.00159 0.00891 13 7D 0 0.01394 0.03271 0.74665 14 7D+1 -0.01321 0.00699 0.00412 0.74219 15 7D-1 0.03001 -0.03887 0.00292 -0.00264 0.75419 16 7D+2 0.01071 -0.00321 -0.00534 -0.00147 -0.00085 17 7D-2 -0.02199 -0.01137 0.00084 0.00281 -0.00187 18 8D 0 0.00458 0.01080 0.24708 0.00195 0.00042 19 8D+1 -0.00418 0.00221 0.00207 0.24516 0.00035 20 8D-1 0.01038 -0.01318 0.00049 0.00009 0.24904 21 8D+2 0.00367 -0.00127 -0.00205 -0.00012 0.00090 22 8D-2 -0.00753 -0.00360 -0.00040 -0.00022 0.00024 23 2 Cu 1S 0.00001 0.00051 -0.00031 0.00199 0.00062 24 2S -0.00882 0.00835 0.00496 0.02649 -0.00480 25 3S -0.00929 0.01900 0.04228 0.13275 -0.09163 26 4PX -0.00124 -0.00094 -0.00914 -0.00031 0.00640 27 4PY 0.00469 0.00394 0.00873 0.00721 -0.00004 28 4PZ -0.00127 -0.00090 -0.00196 -0.01046 0.00909 29 5PX -0.00199 0.00727 0.03071 0.02471 -0.03038 30 5PY 0.00139 0.00002 -0.02228 -0.03241 -0.00757 31 5PZ -0.00421 0.00512 0.01337 0.04319 -0.03336 32 6PX -0.00045 -0.00145 -0.00250 0.02011 -0.00004 33 6PY -0.00012 -0.00019 -0.01159 0.00283 -0.00491 34 6PZ 0.00173 0.00009 0.00053 0.00840 -0.00015 35 7D 0 0.00652 -0.00202 0.01714 -0.01356 0.00735 36 7D+1 -0.00620 -0.00234 -0.00884 -0.00285 0.01679 37 7D-1 -0.01734 0.01403 0.01146 0.01325 0.00204 38 7D+2 -0.00147 0.00961 -0.00934 0.01329 0.01408 39 7D-2 0.00720 0.00420 0.02067 -0.00093 0.00138 40 8D 0 0.00235 -0.00077 0.00150 -0.00444 0.00058 41 8D+1 -0.00214 -0.00035 -0.00031 -0.00104 0.00330 42 8D-1 -0.00574 0.00469 0.00311 0.00249 -0.00066 43 8D+2 -0.00068 0.00355 -0.00364 0.00339 0.00170 44 8D-2 0.00204 0.00160 0.00415 -0.00034 -0.00113 45 3 Cu 1S 0.00076 -0.00017 -0.00152 0.00030 0.00314 46 2S 0.01252 -0.00536 -0.00908 -0.00172 0.01786 47 3S 0.01620 -0.01420 -0.00889 -0.00089 0.08114 48 4PX -0.00051 0.00489 -0.00183 -0.00157 -0.00002 49 4PY -0.00310 0.00240 0.00102 -0.00085 -0.00090 50 4PZ 0.00069 -0.00090 -0.00038 -0.00009 0.00129 51 5PX 0.00197 -0.00071 0.00610 0.00312 -0.00330 52 5PY -0.00085 0.00223 0.00263 0.00064 -0.01550 53 5PZ 0.00274 -0.00299 0.00237 0.00533 0.01350 54 6PX -0.00047 0.00154 -0.00596 0.00400 -0.00365 55 6PY -0.00198 0.00161 0.00831 -0.00104 -0.00579 56 6PZ -0.00152 -0.00194 0.00339 0.00125 0.00225 57 7D 0 -0.00923 -0.00448 0.00539 0.00014 0.00244 58 7D+1 0.00871 0.00386 -0.00386 0.00208 -0.00183 59 7D-1 -0.00091 -0.00815 0.00273 -0.00323 -0.00641 60 7D+2 -0.00270 -0.00790 0.00708 -0.00208 -0.00202 61 7D-2 -0.00051 -0.00012 -0.00014 -0.00120 -0.00161 62 8D 0 -0.00301 -0.00148 0.00210 0.00027 0.00098 63 8D+1 0.00302 0.00122 -0.00133 0.00146 -0.00075 64 8D-1 -0.00048 -0.00260 0.00156 -0.00159 -0.00401 65 8D+2 -0.00091 -0.00263 0.00334 -0.00068 -0.00166 66 8D-2 -0.00005 -0.00003 -0.00028 -0.00044 -0.00090 67 4 Cu 1S 0.00059 -0.00068 0.00129 0.00160 0.00143 68 2S 0.01235 -0.00800 0.01298 0.00954 0.00527 69 3S 0.01534 -0.01531 0.01868 0.02136 0.06499 70 4PX 0.00034 0.00222 -0.00124 -0.00039 0.00103 71 4PY -0.00262 -0.00055 -0.00023 -0.00123 -0.00130 72 4PZ 0.00163 0.00128 -0.00060 0.00047 0.00059 73 5PX -0.00251 0.00496 0.00661 -0.00210 -0.01604 74 5PY -0.00112 0.00456 -0.00203 -0.00349 -0.01486 75 5PZ -0.00071 -0.00146 0.00363 0.00294 0.00308 76 6PX 0.00077 -0.00132 -0.00473 -0.00339 0.00534 77 6PY -0.00095 0.00031 0.00161 -0.00873 -0.00542 78 6PZ 0.00069 -0.00135 0.00252 -0.00657 0.00389 79 7D 0 -0.00439 -0.00670 0.00013 -0.00534 -0.00492 80 7D+1 0.01116 -0.00054 -0.00398 0.00018 0.00059 81 7D-1 0.00167 0.00395 -0.00135 -0.00168 0.00016 82 7D+2 -0.00580 -0.01183 0.00114 -0.00348 -0.00230 83 7D-2 -0.00063 0.00031 -0.00073 0.00401 0.00368 84 8D 0 -0.00153 -0.00209 0.00034 -0.00239 -0.00261 85 8D+1 0.00374 -0.00028 -0.00206 0.00014 0.00013 86 8D-1 0.00037 0.00140 -0.00079 -0.00117 0.00001 87 8D+2 -0.00188 -0.00408 0.00013 -0.00123 -0.00097 88 8D-2 -0.00013 -0.00024 -0.00051 0.00203 0.00264 89 5 Cu 1S -0.00003 -0.00059 -0.00009 0.00198 0.00059 90 2S -0.00950 -0.00137 -0.00672 0.02033 0.00487 91 3S -0.01229 -0.00232 -0.06010 0.07577 -0.02118 92 4PX 0.00050 -0.00596 -0.00861 0.00208 0.00325 93 4PY 0.00405 -0.00536 -0.00436 0.00116 -0.00049 94 4PZ 0.00065 0.00639 -0.00158 -0.00806 -0.00386 95 5PX 0.00568 0.00311 0.03060 -0.01777 -0.01376 96 5PY 0.00214 0.00087 0.02240 -0.01476 0.00006 97 5PZ 0.00108 0.00108 0.02240 0.01707 0.01548 98 6PX -0.00198 0.00107 0.00060 -0.01176 -0.00817 99 6PY 0.00073 0.00424 0.01126 0.00924 -0.00820 100 6PZ 0.00148 -0.00206 -0.00126 -0.02102 0.01589 101 7D 0 0.00011 0.00049 -0.01352 0.01001 0.00651 102 7D+1 -0.00970 -0.00274 0.00478 0.02172 0.01386 103 7D-1 -0.01255 0.02342 0.00308 0.01731 0.00033 104 7D+2 0.00198 0.01181 0.00702 -0.00107 -0.00371 105 7D-2 0.01250 -0.01162 0.00036 -0.00272 0.00114 106 8D 0 -0.00011 0.00027 -0.00390 0.00340 0.00223 107 8D+1 -0.00358 -0.00102 -0.00122 0.00356 0.00182 108 8D-1 -0.00387 0.00762 -0.00029 0.00337 0.00011 109 8D+2 0.00059 0.00374 0.00306 0.00021 0.00047 110 8D-2 0.00425 -0.00392 -0.00039 -0.00009 -0.00013 111 6 Cu 1S 0.00074 0.00090 0.00012 -0.00036 0.00036 112 2S 0.00142 0.00468 0.02402 -0.03225 -0.00591 113 3S -0.00261 0.01914 0.07291 -0.14347 -0.03985 114 4PX 0.00051 0.00375 0.00884 -0.00618 -0.00139 115 4PY 0.00269 0.00239 0.00229 -0.00377 0.00266 116 4PZ -0.00119 -0.00091 -0.00567 0.01291 0.00402 117 5PX 0.00313 -0.00257 -0.03965 0.04460 0.00503 118 5PY 0.00225 0.00709 0.00427 0.00963 -0.04296 119 5PZ -0.00448 0.00570 0.05054 -0.06917 -0.01884 120 6PX 0.00043 0.00109 0.00920 -0.00137 -0.00201 121 6PY -0.00786 -0.00264 0.00265 -0.00420 -0.01597 122 6PZ 0.00406 0.00237 0.00106 -0.00438 0.01548 123 7D 0 -0.00239 -0.00584 0.01139 0.01182 0.00409 124 7D+1 -0.00764 0.00128 0.00815 -0.00478 -0.01004 125 7D-1 -0.00965 0.00347 0.01109 -0.01533 0.01079 126 7D+2 -0.00386 0.01306 -0.01081 -0.00623 0.00959 127 7D-2 0.00567 -0.00477 -0.01616 0.00548 -0.01048 128 8D 0 -0.00058 -0.00185 0.00158 0.00187 -0.00009 129 8D+1 -0.00232 0.00050 0.00032 -0.00041 -0.00281 130 8D-1 -0.00350 0.00102 0.00317 -0.00303 0.00147 131 8D+2 -0.00090 0.00441 -0.00194 -0.00053 0.00187 132 8D-2 0.00220 -0.00140 -0.00258 0.00201 -0.00185 133 7 Cu 1S -0.00019 0.00003 -0.00066 0.00001 0.00004 134 2S -0.00921 -0.00042 -0.02644 0.00161 0.00456 135 3S -0.01706 0.00417 -0.06843 -0.03903 -0.03504 136 4PX -0.00271 0.00027 -0.00259 0.00016 -0.00052 137 4PY -0.00429 -0.00431 -0.00762 -0.00070 -0.00478 138 4PZ 0.00497 0.00475 0.00251 -0.00079 -0.00516 139 5PX -0.00157 0.00109 0.00877 0.00561 -0.01229 140 5PY 0.00736 0.00003 0.04150 -0.00076 0.00378 141 5PZ 0.00253 0.00047 0.00468 0.00125 0.02238 142 6PX 0.00099 0.00264 -0.01022 -0.00320 -0.00923 143 6PY 0.00255 0.00271 -0.00585 0.00724 -0.00444 144 6PZ -0.00336 -0.00300 0.00293 0.00608 0.00111 145 7D 0 -0.00625 -0.01059 -0.00739 0.00016 -0.01140 146 7D+1 0.00117 0.01710 0.00363 -0.01023 0.00033 147 7D-1 -0.00991 0.01687 -0.01527 0.00528 0.02460 148 7D+2 -0.01192 -0.00762 -0.00378 -0.00462 -0.00908 149 7D-2 0.00584 -0.00148 0.00136 -0.00927 0.00083 150 8D 0 -0.00205 -0.00343 -0.00151 -0.00003 -0.00222 151 8D+1 0.00043 0.00555 0.00165 -0.00294 0.00042 152 8D-1 -0.00353 0.00562 -0.00538 0.00201 0.00393 153 8D+2 -0.00390 -0.00244 -0.00018 -0.00166 -0.00248 154 8D-2 0.00210 -0.00044 0.00024 -0.00339 0.00023 155 8 C 1S -0.00031 0.00306 0.00281 -0.00369 0.00151 156 2S -0.00117 -0.00783 -0.00758 0.00765 -0.00086 157 3S 0.00361 -0.00261 -0.00453 0.02025 -0.02969 158 4PX -0.00916 -0.00556 0.00192 0.00053 0.00114 159 4PY 0.00711 0.00220 -0.00877 0.01273 -0.00133 160 4PZ 0.00288 0.00253 0.00529 -0.00676 -0.00354 161 5PX -0.00036 -0.00044 -0.00076 0.00474 0.00416 162 5PY 0.00071 -0.00061 0.01113 -0.01109 -0.00251 163 5PZ -0.00007 0.00100 0.00324 -0.00194 -0.00346 164 9 O 1S -0.00492 -0.00302 -0.00070 0.00078 -0.00033 165 2S 0.00949 0.00602 0.00126 -0.00075 0.00057 166 3S 0.01320 0.00965 0.00626 -0.01021 0.00435 167 4PX -0.00159 0.00128 0.00078 -0.00311 0.00083 168 4PY -0.02119 -0.01489 0.00648 -0.00872 0.00270 169 4PZ 0.00520 -0.00105 -0.00530 0.01023 0.00131 170 5PX -0.00216 -0.00074 -0.00067 -0.00133 -0.00092 171 5PY -0.00674 -0.00400 0.00126 -0.00436 0.00355 172 5PZ 0.00250 -0.00054 -0.00354 0.00600 0.00049 16 17 18 19 20 16 7D+2 0.74247 17 7D-2 -0.00229 0.75242 18 8D 0 -0.00211 -0.00041 0.08185 19 8D+1 0.00004 -0.00030 0.00091 0.08105 20 8D-1 0.00080 0.00021 0.00000 0.00046 0.08243 21 8D+2 0.24590 -0.00099 -0.00083 0.00013 0.00067 22 8D-2 -0.00092 0.24895 -0.00034 -0.00047 0.00031 23 2 Cu 1S 0.00138 -0.00025 0.00007 0.00086 0.00008 24 2S 0.01540 -0.00518 0.00110 0.00898 -0.00249 25 3S 0.04059 -0.01484 0.01429 0.04443 -0.03043 26 4PX 0.00331 0.00091 -0.00256 0.00064 0.00153 27 4PY 0.00431 0.00095 0.00215 0.00152 0.00107 28 4PZ 0.00027 0.00861 0.00107 -0.00174 0.00142 29 5PX -0.01458 -0.00802 0.01022 0.00839 -0.01021 30 5PY -0.01002 -0.00410 -0.00736 -0.01092 -0.00238 31 5PZ 0.01521 -0.03212 0.00456 0.01457 -0.01143 32 6PX 0.01579 0.01423 -0.00073 0.00679 0.00023 33 6PY 0.00892 0.00863 -0.00363 0.00093 -0.00193 34 6PZ 0.00316 -0.01432 0.00012 0.00289 0.00051 35 7D 0 0.00166 0.01665 0.00178 -0.00476 -0.00001 36 7D+1 0.01381 0.00406 -0.00059 -0.00193 0.00309 37 7D-1 0.01801 0.00457 0.00288 0.00235 -0.00030 38 7D+2 0.00310 -0.00150 -0.00410 0.00296 0.00211 39 7D-2 0.00309 -0.00055 0.00405 -0.00040 -0.00036 40 8D 0 0.00211 0.00200 -0.00080 -0.00157 -0.00062 41 8D+1 0.00247 0.00173 0.00068 -0.00067 0.00025 42 8D-1 0.00421 -0.00008 0.00073 0.00015 -0.00054 43 8D+2 -0.00041 -0.00206 -0.00155 0.00064 -0.00032 44 8D-2 0.00158 -0.00062 0.00043 -0.00015 -0.00068 45 3 Cu 1S 0.00147 -0.00001 -0.00055 0.00016 0.00111 46 2S 0.01327 0.00369 -0.00345 -0.00087 0.00813 47 3S 0.03364 -0.03516 -0.00365 0.00005 0.02920 48 4PX -0.00069 0.00086 -0.00064 -0.00057 -0.00002 49 4PY -0.00057 0.00101 0.00012 -0.00019 -0.00043 50 4PZ 0.00085 0.00141 -0.00036 -0.00007 0.00019 51 5PX -0.00127 -0.00765 0.00204 0.00076 -0.00100 52 5PY -0.00425 0.00862 0.00123 0.00011 -0.00535 53 5PZ 0.00278 -0.01291 0.00079 0.00191 0.00527 54 6PX 0.00041 0.00291 -0.00203 0.00128 -0.00143 55 6PY 0.00154 0.00380 0.00277 -0.00038 -0.00182 56 6PZ 0.00820 0.00509 0.00114 0.00047 0.00049 57 7D 0 0.00620 0.00207 0.00243 0.00023 0.00109 58 7D+1 -0.00279 -0.00418 -0.00138 0.00136 -0.00051 59 7D-1 -0.00173 0.00072 0.00182 -0.00174 -0.00403 60 7D+2 -0.00073 0.00347 0.00312 -0.00060 -0.00139 61 7D-2 0.00015 0.00157 -0.00038 -0.00026 -0.00081 62 8D 0 0.00263 0.00054 0.00091 0.00015 0.00045 63 8D+1 -0.00121 -0.00219 -0.00050 0.00070 -0.00022 64 8D-1 -0.00092 0.00081 0.00081 -0.00075 -0.00201 65 8D+2 -0.00015 0.00155 0.00140 -0.00019 -0.00078 66 8D-2 0.00031 0.00108 -0.00021 -0.00009 -0.00039 67 4 Cu 1S 0.00025 -0.00278 0.00041 0.00059 0.00052 68 2S 0.00279 -0.01686 0.00502 0.00344 0.00312 69 3S 0.01325 -0.05257 0.00700 0.00824 0.02254 70 4PX 0.00037 0.00179 -0.00045 -0.00019 0.00055 71 4PY 0.00016 0.00058 -0.00009 -0.00010 -0.00047 72 4PZ 0.00216 -0.00009 -0.00031 0.00017 0.00039 73 5PX -0.00532 0.00165 0.00221 -0.00071 -0.00568 74 5PY -0.00079 0.00877 -0.00108 -0.00162 -0.00523 75 5PZ -0.00103 -0.00914 0.00118 0.00131 0.00071 76 6PX -0.00732 0.00162 -0.00155 -0.00117 0.00211 77 6PY 0.00799 0.00361 0.00051 -0.00295 -0.00162 78 6PZ 0.00661 -0.00464 0.00076 -0.00217 0.00148 79 7D 0 0.00335 -0.00072 0.00007 -0.00230 -0.00260 80 7D+1 -0.00651 0.00368 -0.00190 0.00030 0.00041 81 7D-1 0.00016 0.00167 -0.00082 -0.00143 0.00027 82 7D+2 0.00640 0.00072 0.00004 -0.00150 -0.00098 83 7D-2 0.00168 -0.00504 -0.00040 0.00217 0.00263 84 8D 0 0.00145 0.00002 0.00011 -0.00099 -0.00122 85 8D+1 -0.00237 0.00185 -0.00087 0.00013 0.00012 86 8D-1 0.00010 0.00118 -0.00039 -0.00069 0.00005 87 8D+2 0.00296 0.00096 -0.00008 -0.00053 -0.00039 88 8D-2 0.00076 -0.00290 -0.00021 0.00094 0.00137 89 5 Cu 1S 0.00134 -0.00016 -0.00020 0.00068 0.00028 90 2S 0.02029 0.01086 -0.00180 0.00737 0.00020 91 3S 0.09068 0.10974 -0.02015 0.02526 -0.00661 92 4PX 0.00332 0.01395 -0.00123 0.00055 0.00075 93 4PY 0.01174 0.00262 -0.00047 0.00030 -0.00055 94 4PZ 0.00200 0.00123 -0.00070 -0.00295 -0.00140 95 5PX -0.02852 -0.05846 0.01025 -0.00606 -0.00446 96 5PY -0.03668 -0.00302 0.00760 -0.00501 0.00011 97 5PZ -0.00590 -0.01312 0.00748 0.00560 0.00512 98 6PX -0.01033 -0.00532 0.00016 -0.00407 -0.00328 99 6PY -0.00244 0.00106 0.00356 0.00285 -0.00278 100 6PZ -0.01233 0.00476 -0.00030 -0.00691 0.00511 101 7D 0 -0.00329 0.00516 -0.00365 0.00390 0.00264 102 7D+1 -0.00273 -0.00788 -0.00048 0.00353 0.00134 103 7D-1 -0.00619 -0.00176 -0.00029 0.00304 -0.00019 104 7D+2 0.01458 -0.02115 0.00333 -0.00019 -0.00015 105 7D-2 -0.02656 -0.00444 -0.00076 -0.00042 -0.00033 106 8D 0 -0.00217 0.00211 -0.00101 0.00133 0.00089 107 8D+1 0.00021 -0.00181 -0.00109 -0.00004 -0.00052 108 8D-1 -0.00146 -0.00095 -0.00055 0.00021 -0.00001 109 8D+2 0.00131 -0.00231 0.00135 0.00012 0.00052 110 8D-2 -0.00621 -0.00258 -0.00042 0.00012 -0.00027 111 6 Cu 1S 0.00015 -0.00020 -0.00001 -0.00009 0.00024 112 2S 0.01281 0.00426 0.00784 -0.01060 -0.00213 113 3S 0.00658 0.02283 0.02408 -0.04839 -0.01352 114 4PX 0.00041 0.00273 0.00282 -0.00117 -0.00016 115 4PY 0.00032 -0.00176 0.00053 -0.00092 0.00162 116 4PZ -0.00513 -0.00153 -0.00091 0.00335 0.00092 117 5PX -0.01820 -0.02459 -0.01292 0.01482 0.00196 118 5PY 0.00959 0.02794 0.00135 0.00294 -0.01405 119 5PZ 0.03299 0.00168 0.01687 -0.02279 -0.00707 120 6PX 0.00369 0.00968 0.00302 -0.00047 -0.00061 121 6PY 0.00275 0.00983 0.00094 -0.00154 -0.00563 122 6PZ -0.00718 -0.00368 0.00034 -0.00141 0.00534 123 7D 0 -0.00946 -0.01161 0.00131 0.00298 -0.00013 124 7D+1 -0.01091 0.00174 0.00133 -0.00168 -0.00148 125 7D-1 0.01690 -0.00988 0.00378 -0.00380 0.00144 126 7D+2 -0.00191 -0.00123 -0.00276 -0.00065 0.00223 127 7D-2 -0.00689 0.00136 -0.00369 0.00210 -0.00159 128 8D 0 -0.00084 -0.00319 -0.00027 0.00030 -0.00049 129 8D+1 -0.00267 0.00006 -0.00035 -0.00016 -0.00032 130 8D-1 0.00357 -0.00155 0.00110 -0.00060 -0.00021 131 8D+2 -0.00078 0.00062 -0.00037 0.00027 0.00036 132 8D-2 -0.00237 0.00015 -0.00033 0.00077 0.00003 133 7 Cu 1S -0.00123 -0.00021 -0.00022 -0.00005 -0.00007 134 2S -0.04327 -0.00755 -0.00874 0.00053 0.00059 135 3S -0.15489 0.00476 -0.02261 -0.01422 -0.01264 136 4PX -0.00143 -0.00610 -0.00072 0.00010 -0.00015 137 4PY -0.01400 0.00145 -0.00146 -0.00019 -0.00100 138 4PZ 0.00508 -0.00026 0.00042 -0.00037 -0.00233 139 5PX -0.00703 0.01056 0.00316 0.00176 -0.00425 140 5PY 0.06952 0.00456 0.01391 -0.00022 0.00181 141 5PZ -0.00574 -0.01303 0.00159 0.00075 0.00754 142 6PX -0.01035 -0.00679 -0.00333 -0.00117 -0.00324 143 6PY -0.00445 0.00319 -0.00197 0.00243 -0.00187 144 6PZ 0.01929 -0.00675 0.00105 0.00223 0.00038 145 7D 0 -0.00654 -0.00060 -0.00226 0.00045 -0.00055 146 7D+1 0.00075 -0.00500 0.00180 -0.00336 -0.00005 147 7D-1 -0.01018 0.00086 -0.00433 0.00180 0.00429 148 7D+2 -0.01689 0.00580 -0.00101 -0.00105 -0.00083 149 7D-2 0.00720 0.02779 -0.00006 -0.00300 0.00005 150 8D 0 -0.00162 0.00067 -0.00042 0.00013 0.00031 151 8D+1 0.00081 -0.00071 0.00076 -0.00097 0.00013 152 8D-1 -0.00313 0.00029 -0.00156 0.00067 0.00003 153 8D+2 -0.00332 0.00113 0.00001 -0.00039 -0.00012 154 8D-2 0.00319 0.00487 -0.00009 -0.00110 -0.00001 155 8 C 1S 0.00237 -0.00095 0.00090 -0.00110 0.00030 156 2S -0.00684 0.00048 -0.00247 0.00255 -0.00023 157 3S -0.00011 0.02118 -0.00165 0.00668 -0.00938 158 4PX 0.00323 -0.00489 0.00101 0.00025 0.00037 159 4PY -0.00557 -0.00111 -0.00315 0.00421 0.00004 160 4PZ 0.00101 -0.00162 0.00181 -0.00196 -0.00139 161 5PX -0.00335 -0.00365 -0.00016 0.00161 0.00137 162 5PY 0.00582 0.00244 0.00372 -0.00369 -0.00069 163 5PZ -0.00198 -0.00029 0.00109 -0.00061 -0.00118 164 9 O 1S -0.00066 0.00004 -0.00029 0.00022 0.00008 165 2S 0.00147 0.00008 0.00056 -0.00022 -0.00019 166 3S 0.00451 -0.00192 0.00207 -0.00338 0.00116 167 4PX -0.00283 0.00346 0.00001 -0.00108 0.00053 168 4PY 0.00343 0.00058 0.00240 -0.00290 0.00063 169 4PZ -0.00315 0.00409 -0.00176 0.00363 0.00075 170 5PX -0.00048 0.00306 -0.00032 -0.00047 -0.00025 171 5PY -0.00032 -0.00159 0.00042 -0.00145 0.00111 172 5PZ -0.00039 0.00321 -0.00121 0.00206 0.00033 21 22 23 24 25 21 8D+2 0.08152 22 8D-2 -0.00042 0.08252 23 2 Cu 1S 0.00047 -0.00025 1.00535 24 2S 0.00537 -0.00054 0.00768 0.17789 25 3S 0.01364 -0.00548 0.00683 0.08833 0.20570 26 4PX 0.00125 -0.00025 -0.00308 -0.01860 0.03753 27 4PY 0.00152 0.00125 -0.00068 -0.00509 0.00913 28 4PZ 0.00002 0.00190 -0.00100 -0.00679 0.01236 29 5PX -0.00480 -0.00269 0.00253 0.02577 0.05858 30 5PY -0.00322 -0.00138 0.00065 0.01031 0.01832 31 5PZ 0.00517 -0.01067 0.00081 0.01222 0.02430 32 6PX 0.00530 0.00441 0.00130 -0.01000 0.01523 33 6PY 0.00281 0.00273 0.00015 -0.00959 0.00305 34 6PZ 0.00130 -0.00496 0.00040 -0.00931 0.00607 35 7D 0 0.00157 0.00193 0.00017 -0.00077 0.00576 36 7D+1 0.00209 0.00238 -0.00012 -0.00314 -0.03691 37 7D-1 0.00446 0.00030 0.00002 0.00793 0.08090 38 7D+2 -0.00021 -0.00157 -0.00044 -0.00092 -0.03329 39 7D-2 0.00200 -0.00074 -0.00003 -0.00449 -0.04061 40 8D 0 0.00104 -0.00056 -0.00003 -0.00083 0.00137 41 8D+1 -0.00002 0.00093 -0.00001 0.00106 -0.01067 42 8D-1 0.00090 -0.00045 0.00017 0.00137 0.02620 43 8D+2 -0.00055 -0.00103 -0.00003 0.00129 -0.00978 44 8D-2 0.00086 -0.00035 -0.00003 0.00064 -0.01192 45 3 Cu 1S 0.00050 -0.00002 -0.00124 -0.00324 -0.00032 46 2S 0.00509 0.00074 -0.00332 0.07909 0.00958 47 3S 0.01230 -0.01151 -0.00038 0.00954 -0.05518 48 4PX -0.00019 0.00057 0.00068 0.01060 0.00981 49 4PY -0.00013 0.00035 0.00152 0.01259 0.00759 50 4PZ 0.00011 0.00052 -0.00082 -0.00632 -0.00188 51 5PX -0.00053 -0.00298 0.00066 -0.02670 0.00019 52 5PY -0.00191 0.00293 0.00066 -0.01923 0.00396 53 5PZ 0.00105 -0.00417 -0.00034 0.00558 -0.00829 54 6PX 0.00010 0.00121 0.00075 0.00643 0.01305 55 6PY 0.00053 0.00116 0.00035 0.00911 0.01695 56 6PZ 0.00274 0.00188 0.00013 -0.00667 -0.00806 57 7D 0 0.00243 0.00077 -0.00102 -0.01565 -0.05192 58 7D+1 -0.00103 -0.00227 0.00004 -0.00364 -0.02714 59 7D-1 -0.00101 0.00068 0.00072 -0.00292 -0.08042 60 7D+2 -0.00059 0.00153 0.00140 0.01034 0.02254 61 7D-2 0.00021 0.00131 0.00182 0.02492 0.13419 62 8D 0 0.00099 0.00021 -0.00043 -0.00488 -0.01769 63 8D+1 -0.00043 -0.00105 -0.00015 -0.00019 -0.00954 64 8D-1 -0.00047 0.00043 0.00014 -0.00190 -0.02667 65 8D+2 -0.00017 0.00067 0.00042 0.00395 0.00750 66 8D-2 0.00016 0.00061 0.00084 0.00840 0.04474 67 4 Cu 1S 0.00009 -0.00098 0.00034 -0.00150 -0.00148 68 2S 0.00111 -0.00739 -0.00150 -0.05673 -0.01746 69 3S 0.00487 -0.01947 -0.00147 -0.01718 0.02540 70 4PX 0.00041 0.00050 -0.00093 0.00518 -0.00544 71 4PY -0.00007 0.00033 -0.00062 -0.00294 0.00066 72 4PZ 0.00058 0.00011 0.00041 0.00643 -0.00436 73 5PX -0.00188 0.00121 0.00074 -0.01030 0.00166 74 5PY -0.00032 0.00307 0.00060 0.00779 0.00305 75 5PZ -0.00008 -0.00336 0.00017 -0.01460 -0.00223 76 6PX -0.00242 0.00038 -0.00058 -0.01228 -0.01753 77 6PY 0.00267 0.00110 -0.00039 -0.00623 -0.01525 78 6PZ 0.00229 -0.00158 0.00036 0.00843 0.00392 79 7D 0 0.00114 -0.00004 0.00171 0.00908 0.03376 80 7D+1 -0.00250 0.00173 -0.00085 -0.00455 -0.00379 81 7D-1 0.00014 0.00131 -0.00071 -0.00676 0.02385 82 7D+2 0.00289 0.00059 -0.00190 -0.01684 -0.04500 83 7D-2 0.00073 -0.00299 -0.00249 -0.01223 -0.07271 84 8D 0 0.00053 0.00006 0.00063 0.00396 0.01270 85 8D+1 -0.00091 0.00081 -0.00030 -0.00211 -0.00163 86 8D-1 0.00006 0.00065 -0.00027 -0.00186 0.00754 87 8D+2 0.00125 0.00042 -0.00061 -0.00677 -0.01632 88 8D-2 0.00033 -0.00144 -0.00091 -0.00572 -0.02573 89 5 Cu 1S 0.00061 0.00017 0.00039 -0.00140 -0.00084 90 2S 0.00656 0.00398 -0.00144 -0.05597 -0.01669 91 3S 0.03045 0.03672 -0.00084 -0.01477 0.02449 92 4PX -0.00047 0.00250 -0.00076 0.00626 -0.00668 93 4PY 0.00323 -0.00081 0.00039 0.00544 -0.00503 94 4PZ 0.00079 0.00045 -0.00082 -0.00300 -0.00232 95 5PX -0.00968 -0.01979 0.00060 -0.01287 0.00079 96 5PY -0.01215 -0.00114 0.00011 -0.01230 -0.00271 97 5PZ -0.00196 -0.00433 0.00042 0.00765 0.00484 98 6PX -0.00364 -0.00138 -0.00034 -0.00974 -0.01438 99 6PY -0.00083 0.00070 0.00049 0.00548 0.00339 100 6PZ -0.00416 0.00148 -0.00070 -0.00981 -0.01817 101 7D 0 -0.00187 0.00160 0.00037 0.00776 -0.00107 102 7D+1 -0.00016 -0.00250 -0.00289 -0.01638 -0.07786 103 7D-1 -0.00165 -0.00075 -0.00055 -0.00566 0.02206 104 7D+2 0.00072 -0.00239 -0.00227 -0.01479 -0.03947 105 7D-2 -0.00640 -0.00189 -0.00045 -0.00139 -0.00361 106 8D 0 -0.00099 0.00066 0.00008 0.00290 -0.00018 107 8D+1 0.00031 -0.00055 -0.00103 -0.00724 -0.02781 108 8D-1 -0.00034 -0.00038 -0.00020 -0.00135 0.00699 109 8D+2 -0.00094 0.00080 -0.00080 -0.00632 -0.01489 110 8D-2 -0.00126 -0.00099 -0.00015 -0.00089 -0.00124 111 6 Cu 1S 0.00004 -0.00015 -0.00167 -0.00297 -0.00338 112 2S 0.00420 0.00155 -0.00390 0.04164 0.00930 113 3S 0.00158 0.00775 -0.00355 -0.01145 -0.07234 114 4PX -0.00030 0.00080 0.00180 0.02531 0.01737 115 4PY 0.00006 -0.00105 -0.00042 -0.00299 0.00584 116 4PZ -0.00157 -0.00019 -0.00020 0.00021 0.00288 117 5PX -0.00604 -0.00870 0.00252 -0.04564 0.01474 118 5PY 0.00296 0.00905 0.00009 -0.00467 -0.02092 119 5PZ 0.01082 0.00087 -0.00017 -0.00892 -0.01584 120 6PX 0.00123 0.00329 0.00086 0.01415 0.00825 121 6PY 0.00089 0.00341 0.00026 0.00478 -0.00210 122 6PZ -0.00246 -0.00123 0.00006 -0.00132 -0.00369 123 7D 0 -0.00200 -0.00296 -0.00016 -0.01199 -0.06326 124 7D+1 -0.00267 -0.00067 0.00126 0.00897 0.02948 125 7D-1 0.00447 -0.00161 0.00054 0.01178 0.03473 126 7D+2 -0.00149 0.00018 0.00040 0.02087 0.08937 127 7D-2 -0.00271 -0.00033 0.00107 0.00188 0.00135 128 8D 0 0.00009 -0.00079 0.00002 -0.00356 -0.02068 129 8D+1 -0.00057 -0.00040 0.00056 0.00326 0.00992 130 8D-1 0.00081 0.00004 0.00004 0.00489 0.01136 131 8D+2 -0.00054 0.00037 0.00017 0.00516 0.02900 132 8D-2 -0.00092 -0.00019 0.00056 0.00121 0.00056 133 7 Cu 1S -0.00048 -0.00003 -0.00115 -0.00431 -0.00226 134 2S -0.01451 -0.00193 -0.00400 0.04959 0.00280 135 3S -0.05240 0.00211 -0.00260 -0.03387 -0.05837 136 4PX 0.00002 -0.00254 0.00073 0.01339 0.00624 137 4PY -0.00269 0.00026 0.00127 0.01199 0.01014 138 4PZ 0.00096 -0.00012 0.00127 0.01268 0.01022 139 5PX -0.00252 0.00346 0.00070 -0.02415 -0.00763 140 5PY 0.02340 0.00118 0.00168 -0.01119 0.00670 141 5PZ -0.00186 -0.00446 0.00159 -0.01349 0.00660 142 6PX -0.00359 -0.00237 0.00014 -0.01362 0.00722 143 6PY -0.00163 0.00132 -0.00033 0.00707 0.00750 144 6PZ 0.00662 -0.00240 -0.00017 0.00921 0.00902 145 7D 0 -0.00214 0.00024 -0.00117 -0.01317 -0.02174 146 7D+1 0.00080 -0.00007 0.00110 0.01746 0.09785 147 7D-1 -0.00207 0.00007 -0.00077 0.01383 0.08136 148 7D+2 -0.00406 -0.00037 0.00243 0.02420 0.04616 149 7D-2 0.00219 0.00472 0.00077 0.01190 0.08259 150 8D 0 -0.00053 0.00039 -0.00040 -0.00471 -0.00746 151 8D+1 0.00045 0.00027 0.00042 0.00547 0.03267 152 8D-1 -0.00063 0.00001 -0.00032 0.00410 0.02657 153 8D+2 -0.00058 -0.00038 0.00087 0.00863 0.01588 154 8D-2 0.00101 0.00013 0.00032 0.00338 0.02747 155 8 C 1S 0.00084 -0.00015 -0.00049 0.00341 -0.01221 156 2S -0.00247 0.00003 0.00151 -0.00687 0.02508 157 3S -0.00018 0.00667 0.00299 -0.01286 0.01832 158 4PX 0.00094 -0.00187 -0.00006 -0.01331 0.00086 159 4PY -0.00199 -0.00065 0.00012 -0.01894 0.01660 160 4PZ 0.00016 -0.00061 0.00000 -0.01008 -0.00037 161 5PX -0.00111 -0.00126 -0.00085 -0.00536 -0.00010 162 5PY 0.00186 0.00070 0.00054 -0.00912 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-0.00029 -0.00066 -0.00003 66 8D-2 0.00001 0.00027 0.00165 -0.00074 -0.00007 67 4 Cu 1S -0.00003 -0.00013 -0.00064 -0.00092 -0.00124 68 2S -0.00002 -0.00132 -0.00311 -0.00845 -0.00323 69 3S -0.01452 0.00050 -0.01560 -0.02403 -0.00029 70 4PX 0.00012 0.00020 0.00021 0.00020 0.00156 71 4PY -0.00058 -0.00027 0.00011 0.00041 0.00062 72 4PZ 0.00082 0.00015 0.00053 -0.00019 0.00096 73 5PX 0.00366 -0.00053 0.00446 0.00401 0.00075 74 5PY 0.00439 -0.00062 0.00360 0.00196 -0.00008 75 5PZ -0.00235 0.00001 -0.00028 0.00255 0.00054 76 6PX 0.00127 0.00131 -0.00130 0.00191 0.00045 77 6PY -0.00254 0.00042 0.00312 -0.00022 -0.00042 78 6PZ 0.00050 -0.00284 0.00228 0.00048 0.00071 79 7D 0 0.00141 0.00049 0.00054 0.00181 0.00127 80 7D+1 0.00207 0.00130 -0.00169 0.00014 0.00128 81 7D-1 0.00104 0.00033 -0.00092 -0.00103 -0.00119 82 7D+2 -0.00058 -0.00186 0.00172 -0.00196 0.00028 83 7D-2 -0.00006 -0.00002 -0.00511 -0.00139 -0.00143 84 8D 0 0.00069 0.00012 0.00031 0.00091 0.00042 85 8D+1 0.00086 0.00053 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0.00069 154 8D-2 0.00669 0.01311 -0.00145 0.00996 0.00144 155 8 C 1S 0.00106 -0.00168 0.00285 -0.00175 0.00013 156 2S -0.00447 0.00427 -0.00733 0.00644 -0.00010 157 3S 0.00060 0.00356 -0.00563 -0.00565 -0.00364 158 4PX 0.00133 -0.01065 -0.00495 0.01185 0.00056 159 4PY -0.00210 -0.00421 -0.00543 -0.01983 -0.00084 160 4PZ 0.00480 -0.00404 0.00633 -0.00700 0.00436 161 5PX -0.00070 -0.00209 0.00021 -0.00007 -0.00072 162 5PY 0.00113 0.00020 -0.00233 0.00009 0.00122 163 5PZ 0.00464 -0.00030 0.00045 -0.00147 -0.00120 164 9 O 1S 0.00020 0.00172 -0.00322 0.00880 0.00009 165 2S -0.00055 -0.00370 0.00685 -0.01702 -0.00054 166 3S -0.00007 -0.00388 0.00753 -0.02552 0.00090 167 4PX 0.00057 -0.02666 -0.01171 -0.02055 -0.00021 168 4PY -0.00096 -0.01225 -0.01569 0.03263 0.00031 169 4PZ -0.00704 -0.00913 0.01380 -0.00886 -0.00406 170 5PX 0.00011 -0.01083 -0.00530 -0.00530 -0.00032 171 5PY -0.00019 -0.00536 -0.00575 0.00824 0.00045 172 5PZ -0.00499 -0.00397 0.00605 -0.00394 -0.00182 146 147 148 149 150 146 7D+1 0.74777 147 7D-1 0.00175 0.74618 148 7D+2 -0.00579 -0.00279 0.75168 149 7D-2 0.00176 0.00290 -0.00224 0.74800 150 8D 0 -0.00052 0.00085 0.00069 0.00143 0.07814 151 8D+1 0.24107 0.00044 -0.00153 0.00031 -0.00015 152 8D-1 0.00044 0.24064 -0.00063 0.00094 0.00026 153 8D+2 -0.00156 -0.00066 0.24243 -0.00069 0.00018 154 8D-2 0.00035 0.00092 -0.00070 0.24132 0.00037 155 8 C 1S -0.00124 0.00195 -0.00066 -0.00140 -0.00004 156 2S 0.00442 -0.00700 0.00240 0.00509 0.00018 157 3S -0.00741 0.01204 -0.00502 -0.01049 -0.00114 158 4PX 0.00014 0.00554 -0.00508 -0.00066 0.00024 159 4PY 0.00559 -0.00529 -0.00043 0.00526 -0.00037 160 4PZ -0.00049 0.00075 0.00134 0.00279 0.00168 161 5PX 0.00033 -0.00265 0.00076 0.00138 -0.00025 162 5PY -0.00274 0.00283 -0.00106 -0.00240 0.00043 163 5PZ -0.00075 0.00133 -0.00005 -0.00035 -0.00036 164 9 O 1S 0.00013 -0.00020 0.00010 0.00022 0.00007 165 2S -0.00064 0.00105 -0.00052 -0.00108 -0.00025 166 3S 0.00141 -0.00238 0.00090 0.00188 0.00017 167 4PX -0.00114 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0.00041 -0.00069 0.00026 0.00055 0.00908 167 4PX -0.00064 -0.00101 0.00119 -0.00029 0.02895 168 4PY -0.00101 0.00036 0.00049 -0.00070 -0.04752 169 4PZ 0.00040 -0.00060 -0.00021 -0.00045 -0.00381 170 5PX -0.00048 -0.00017 0.00049 -0.00035 0.00444 171 5PY -0.00016 -0.00032 0.00043 0.00003 -0.00739 172 5PZ 0.00001 -0.00002 -0.00026 -0.00052 0.00165 156 157 158 159 160 156 2S 0.24873 157 3S 0.19093 0.21443 158 4PX -0.01626 -0.07688 0.21358 159 4PY 0.02624 0.12520 -0.07151 0.28611 160 4PZ 0.01117 0.02926 -0.01712 0.02784 0.17693 161 5PX -0.02368 -0.01929 0.02039 0.01347 0.00121 162 5PY 0.03882 0.03149 0.01348 0.00650 -0.00205 163 5PZ 0.00520 0.00641 0.00118 -0.00200 0.02937 164 9 O 1S -0.00595 0.01879 -0.01848 0.03019 0.00518 165 2S 0.00630 -0.04314 0.04529 -0.07401 -0.01252 166 3S -0.04657 -0.04704 -0.00539 0.00887 0.00040 167 4PX -0.07487 0.00083 0.09621 0.23053 0.03622 168 4PY 0.12288 -0.00140 0.23050 -0.13968 -0.05918 169 4PZ 0.01016 -0.00025 0.03692 -0.06033 0.22717 170 5PX -0.01130 0.00064 0.05296 0.05786 0.00898 171 5PY 0.01873 -0.00094 0.05771 -0.00602 -0.01463 172 5PZ -0.00226 -0.00267 0.01189 -0.01942 0.08512 161 162 163 164 165 161 5PX 0.00824 162 5PY -0.00268 0.01098 163 5PZ -0.00053 0.00084 0.00710 164 9 O 1S 0.00200 -0.00333 0.00097 1.05922 165 2S -0.00124 0.00213 -0.00237 -0.12928 0.30133 166 3S 0.00459 -0.00742 -0.00350 -0.12418 0.26155 167 4PX 0.03212 -0.00126 0.00034 -0.01012 0.01800 168 4PY -0.00113 0.03332 -0.00068 0.01659 -0.02960 169 4PZ -0.00188 0.00298 0.03355 0.00167 -0.00131 170 5PX 0.00885 0.00250 0.00038 -0.00909 0.02184 171 5PY 0.00254 0.00624 -0.00067 0.01491 -0.03582 172 5PZ -0.00025 0.00038 0.01120 0.00160 -0.00335 166 167 168 169 170 166 3S 0.26834 167 4PX 0.08134 0.41835 168 4PY -0.13308 -0.00347 0.42156 169 4PZ -0.01902 -0.00346 0.00565 0.41707 170 5PX 0.03036 0.14249 0.03677 0.00567 0.05410 171 5PY -0.04965 0.03693 0.10460 -0.00932 0.02022 172 5PZ -0.00726 0.00270 -0.00442 0.16431 0.00285 171 172 171 5PY 0.03337 172 5PZ -0.00467 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0.00000 0.00000 23 2 Cu 1S 0.00000 -0.00030 -0.00001 0.00000 0.00000 24 2S -0.00032 0.04197 0.00646 -0.00023 -0.00014 25 3S -0.00002 0.00646 -0.08035 -0.00016 -0.00003 26 4PX 0.00000 -0.00024 -0.00002 0.00000 0.00000 27 4PY 0.00000 -0.00019 -0.00011 0.00000 0.00000 28 4PZ 0.00000 -0.00068 -0.00037 0.00000 0.00000 29 5PX -0.00003 0.00277 -0.00321 -0.00001 0.00001 30 5PY -0.00005 0.00689 0.00067 0.00007 -0.00001 31 5PZ -0.00018 0.01872 -0.00459 0.00002 -0.00020 32 6PX 0.00002 -0.00263 -0.00682 0.00017 0.00000 33 6PY -0.00006 -0.00031 -0.00441 0.00005 0.00009 34 6PZ -0.00013 -0.00783 -0.01767 0.00010 0.00001 35 7D 0 0.00000 0.00017 0.00019 0.00000 0.00000 36 7D+1 0.00000 0.00009 0.00037 0.00000 0.00000 37 7D-1 0.00000 0.00036 0.00045 0.00000 0.00000 38 7D+2 0.00000 -0.00001 0.00000 0.00000 0.00000 39 7D-2 0.00000 0.00002 0.00002 0.00000 0.00000 40 8D 0 0.00001 0.00058 0.00096 -0.00006 -0.00005 41 8D+1 0.00000 0.00037 0.00178 0.00001 -0.00004 42 8D-1 0.00003 0.00142 0.00219 -0.00004 0.00001 43 8D+2 0.00000 -0.00004 0.00001 -0.00001 -0.00001 44 8D-2 0.00000 -0.00003 0.00010 0.00001 0.00000 45 3 Cu 1S 0.00000 0.00000 -0.00005 0.00000 0.00000 46 2S 0.00000 -0.00470 -0.00389 0.00000 0.00000 47 3S -0.00005 -0.00414 0.01738 -0.00001 0.00002 48 4PX 0.00000 0.00000 0.00001 0.00000 0.00000 49 4PY 0.00000 -0.00001 0.00007 0.00000 0.00000 50 4PZ 0.00000 0.00000 0.00003 0.00000 0.00000 51 5PX 0.00000 0.00040 0.00008 -0.00001 0.00000 52 5PY -0.00001 0.00209 -0.00043 0.00000 0.00001 53 5PZ -0.00001 -0.00016 -0.00130 0.00000 -0.00001 54 6PX -0.00001 -0.00011 -0.00049 0.00007 0.00000 55 6PY 0.00003 0.00117 0.00955 -0.00001 0.00000 56 6PZ 0.00008 0.00915 0.01644 0.00000 0.00001 57 7D 0 0.00000 0.00000 -0.00005 0.00000 0.00000 58 7D+1 0.00000 0.00000 0.00001 0.00000 0.00000 59 7D-1 0.00000 -0.00002 -0.00028 0.00000 0.00000 60 7D+2 0.00000 -0.00001 -0.00003 0.00000 0.00000 61 7D-2 0.00000 0.00000 -0.00001 0.00000 0.00000 62 8D 0 0.00000 -0.00004 -0.00031 0.00000 0.00000 63 8D+1 0.00000 -0.00001 0.00003 0.00000 0.00000 64 8D-1 0.00000 -0.00029 -0.00164 0.00000 0.00000 65 8D+2 0.00000 -0.00008 -0.00020 0.00000 0.00000 66 8D-2 0.00000 -0.00001 -0.00003 0.00000 0.00000 67 4 Cu 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 68 2S 0.00000 -0.00470 -0.00376 -0.00001 0.00000 69 3S -0.00003 -0.00384 0.01773 0.00010 0.00004 70 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4PY 0.00000 -0.00001 0.00010 0.00000 0.00000 72 4PZ 0.00000 -0.00001 0.00004 0.00000 0.00000 73 5PX -0.00001 -0.00136 -0.00133 0.00002 0.00000 74 5PY -0.00001 0.00186 -0.00074 -0.00001 0.00001 75 5PZ 0.00000 0.00183 0.00027 -0.00001 -0.00001 76 6PX 0.00007 0.00634 0.01180 0.00000 0.00001 77 6PY 0.00005 0.00278 0.01282 0.00007 0.00001 78 6PZ -0.00001 0.00122 0.00134 0.00005 0.00000 79 7D 0 0.00000 0.00000 -0.00004 0.00000 0.00000 80 7D+1 0.00000 -0.00001 -0.00003 0.00000 0.00000 81 7D-1 0.00000 -0.00001 -0.00008 0.00000 0.00000 82 7D+2 0.00000 0.00000 0.00001 0.00000 0.00000 83 7D-2 0.00000 -0.00001 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0.00000 0.00000 0.00000 0.00000 0.00000 169 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 8D+1 0.15780 152 8D-1 0.00000 0.15798 153 8D+2 0.00000 0.00000 0.15862 154 8D-2 0.00000 0.00000 0.00000 0.15815 155 8 C 1S 0.00000 0.00000 0.00000 0.00000 2.09434 156 2S 0.00000 0.00000 0.00000 0.00000 -0.04985 157 3S 0.00000 0.00001 0.00000 0.00001 -0.03665 158 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 5PX 0.00000 0.00001 0.00000 0.00000 0.00000 162 5PY 0.00001 0.00001 0.00000 0.00001 0.00000 163 5PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 164 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2S 0.00000 0.00000 0.00000 0.00000 -0.00027 166 3S 0.00000 0.00000 0.00000 0.00000 0.00147 167 4PX 0.00000 0.00000 0.00000 0.00000 -0.00142 168 4PY 0.00000 0.00000 0.00000 0.00000 -0.00379 169 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00008 170 5PX 0.00000 0.00000 0.00000 0.00000 -0.00069 171 5PY 0.00000 0.00000 0.00000 0.00000 -0.00185 172 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 156 157 158 159 160 156 2S 0.51130 157 3S 0.31876 0.45382 158 4PX 0.00000 0.00000 0.43383 159 4PY 0.00000 0.00000 0.00000 0.58737 160 4PZ 0.00000 0.00000 0.00000 0.00000 0.37772 161 5PX 0.00000 0.00000 0.02214 0.00000 0.00000 162 5PY 0.00000 0.00000 0.00000 0.00767 0.00000 163 5PZ 0.00000 0.00000 0.00000 0.00000 0.03843 164 9 O 1S -0.00032 0.00221 -0.00137 -0.00366 -0.00007 165 2S 0.00206 -0.02796 0.01753 0.04693 0.00092 166 3S -0.03892 -0.05716 -0.00197 -0.00519 -0.00038 167 4PX 0.02076 -0.00068 0.00670 0.09590 0.00193 168 4PY 0.05557 -0.00203 0.09590 0.05046 0.00510 169 4PZ 0.00118 0.00051 0.00191 0.00507 0.06734 170 5PX 0.00659 -0.00103 0.02506 0.02782 0.00052 171 5PY 0.01760 -0.00304 0.02779 0.00007 0.00134 172 5PZ 0.00048 0.00074 0.00059 0.00154 0.05883 161 162 163 164 165 161 5PX 0.01638 162 5PY 0.00000 0.02196 163 5PZ 0.00000 0.00000 0.02150 164 9 O 1S 0.00017 0.00046 -0.00001 2.11855 165 2S -0.00054 -0.00148 0.00013 -0.07068 0.60393 166 3S 0.00292 0.00781 0.00030 -0.04557 0.41442 167 4PX 0.00859 -0.00014 -0.00004 0.00000 0.00000 168 4PY -0.00013 0.00348 -0.00011 0.00000 0.00000 169 4PZ -0.00005 -0.00015 0.00993 0.00000 0.00000 170 5PX 0.00877 0.00105 -0.00002 0.00000 0.00000 171 5PY 0.00106 0.00353 -0.00007 0.00000 0.00000 172 5PZ -0.00003 -0.00011 0.00885 0.00000 0.00000 166 167 168 169 170 166 3S 0.53821 167 4PX 0.00000 0.83693 168 4PY 0.00000 0.00000 0.84798 169 4PZ 0.00000 0.00000 0.00000 0.85134 170 5PX 0.00000 0.14393 0.00000 0.00000 0.10780 171 5PY 0.00000 0.00000 0.10651 0.00000 0.00000 172 5PZ 0.00000 0.00000 0.00000 0.17104 0.00000 171 172 171 5PY 0.06720 172 5PZ 0.00000 0.13804 Gross orbital populations: TOTAL ALPHA BETA SPIN 1 1 Cu 1S 2.00513 1.00256 1.00257 -0.00001 2 2S 0.67270 0.33397 0.33873 -0.00476 3 3S 0.21265 0.09876 0.11389 -0.01512 4 4PX 1.99482 0.99744 0.99739 0.00005 5 4PY 1.99470 0.99740 0.99729 0.00011 6 4PZ 1.99472 0.99741 0.99730 0.00011 7 5PX 0.11690 0.06386 0.05304 0.01082 8 5PY 0.09622 0.06723 0.02900 0.03823 9 5PZ 0.09947 0.06105 0.03842 0.02264 10 6PX -0.00883 -0.00218 -0.00665 0.00447 11 6PY 0.00536 0.00561 -0.00025 0.00586 12 6PZ -0.00081 0.00148 -0.00229 0.00377 13 7D 0 1.64765 0.82580 0.82186 0.00394 14 7D+1 1.63608 0.81867 0.81742 0.00125 15 7D-1 1.65824 0.82893 0.82931 -0.00038 16 7D+2 1.64151 0.82380 0.81772 0.00608 17 7D-2 1.65469 0.82705 0.82764 -0.00059 18 8D 0 0.32186 0.16066 0.16121 -0.00055 19 8D+1 0.32367 0.16173 0.16195 -0.00022 20 8D-1 0.32153 0.16086 0.16066 0.00020 21 8D+2 0.32337 0.16121 0.16216 -0.00095 22 8D-2 0.32205 0.16112 0.16093 0.00019 23 2 Cu 1S 2.00510 1.00255 1.00255 -0.00001 24 2S 0.67902 0.33871 0.34031 -0.00160 25 3S 0.21434 0.09994 0.11441 -0.01447 26 4PX 1.99436 0.99721 0.99715 0.00006 27 4PY 1.99493 0.99751 0.99742 0.00009 28 4PZ 1.99491 0.99749 0.99742 0.00007 29 5PX 0.06737 0.03767 0.02970 0.00797 30 5PY 0.11319 0.07045 0.04274 0.02771 31 5PZ 0.12000 0.07276 0.04724 0.02552 32 6PX 0.00901 0.00417 0.00484 -0.00067 33 6PY -0.00610 -0.00124 -0.00487 0.00363 34 6PZ -0.00745 -0.00351 -0.00394 0.00044 35 7D 0 1.65073 0.82584 0.82489 0.00096 36 7D+1 1.65210 0.82618 0.82592 0.00026 37 7D-1 1.64006 0.82176 0.81830 0.00346 38 7D+2 1.64329 0.82350 0.81979 0.00372 39 7D-2 1.65145 0.82622 0.82523 0.00099 40 8D 0 0.32269 0.16132 0.16137 -0.00006 41 8D+1 0.32223 0.16116 0.16107 0.00008 42 8D-1 0.32336 0.16143 0.16192 -0.00049 43 8D+2 0.32227 0.16081 0.16146 -0.00065 44 8D-2 0.32158 0.16076 0.16081 -0.00005 45 3 Cu 1S 2.00507 1.00253 1.00254 -0.00001 46 2S 0.68311 0.34154 0.34157 -0.00003 47 3S 0.21166 0.09871 0.11295 -0.01425 48 4PX 1.99489 0.99746 0.99743 0.00004 49 4PY 1.99472 0.99741 0.99731 0.00010 50 4PZ 1.99458 0.99732 0.99726 0.00006 51 5PX 0.11915 0.06396 0.05519 0.00877 52 5PY 0.08216 0.05188 0.03027 0.02161 53 5PZ 0.09105 0.05901 0.03204 0.02697 54 6PX -0.01325 -0.00641 -0.00683 0.00042 55 6PY -0.00641 -0.00544 -0.00098 -0.00446 56 6PZ 0.01195 0.00373 0.00822 -0.00450 57 7D 0 1.63902 0.82310 0.81593 0.00717 58 7D+1 1.65233 0.82654 0.82579 0.00075 59 7D-1 1.65656 0.82875 0.82781 0.00094 60 7D+2 1.64821 0.82398 0.82423 -0.00026 61 7D-2 1.64111 0.82048 0.82063 -0.00015 62 8D 0 0.32264 0.16081 0.16184 -0.00103 63 8D+1 0.32166 0.16080 0.16086 -0.00007 64 8D-1 0.32113 0.16053 0.16060 -0.00007 65 8D+2 0.32304 0.16158 0.16146 0.00011 66 8D-2 0.32320 0.16164 0.16156 0.00008 67 4 Cu 1S 2.00512 1.00256 1.00256 -0.00001 68 2S 0.67764 0.33783 0.33981 -0.00197 69 3S 0.21524 0.10035 0.11490 -0.01455 70 4PX 1.99458 0.99730 0.99727 0.00003 71 4PY 1.99467 0.99739 0.99727 0.00012 72 4PZ 1.99496 0.99752 0.99744 0.00008 73 5PX 0.09452 0.05430 0.04022 0.01408 74 5PY 0.08380 0.05374 0.03006 0.02368 75 5PZ 0.12437 0.07460 0.04977 0.02483 76 6PX 0.00777 0.00491 0.00287 0.00204 77 6PY -0.00045 0.00107 -0.00153 0.00260 78 6PZ -0.01151 -0.00485 -0.00666 0.00181 79 7D 0 1.65142 0.82543 0.82599 -0.00056 80 7D+1 1.64120 0.82299 0.81821 0.00477 81 7D-1 1.64910 0.82415 0.82495 -0.00080 82 7D+2 1.64385 0.82456 0.81930 0.00526 83 7D-2 1.65226 0.82658 0.82568 0.00090 84 8D 0 0.32359 0.16190 0.16168 0.00022 85 8D+1 0.32286 0.16104 0.16181 -0.00077 86 8D-1 0.32201 0.16115 0.16086 0.00029 87 8D+2 0.32144 0.16032 0.16112 -0.00080 88 8D-2 0.32236 0.16112 0.16124 -0.00013 89 5 Cu 1S 2.00513 1.00256 1.00257 -0.00001 90 2S 0.67197 0.33340 0.33856 -0.00516 91 3S 0.21106 0.09795 0.11311 -0.01516 92 4PX 1.99466 0.99735 0.99731 0.00004 93 4PY 1.99497 0.99754 0.99743 0.00012 94 4PZ 1.99461 0.99736 0.99725 0.00012 95 5PX 0.10374 0.06008 0.04366 0.01642 96 5PY 0.12081 0.07771 0.04310 0.03461 97 5PZ 0.08893 0.05547 0.03346 0.02200 98 6PX 0.00145 0.00218 -0.00073 0.00290 99 6PY -0.01087 -0.00161 -0.00926 0.00764 100 6PZ 0.00383 0.00352 0.00032 0.00320 101 7D 0 1.64256 0.82459 0.81797 0.00662 102 7D+1 1.65262 0.82634 0.82628 0.00006 103 7D-1 1.64950 0.82453 0.82497 -0.00044 104 7D+2 1.65433 0.82676 0.82758 -0.00082 105 7D-2 1.63926 0.82209 0.81717 0.00492 106 8D 0 0.32160 0.16026 0.16134 -0.00108 107 8D+1 0.32323 0.16162 0.16160 0.00002 108 8D-1 0.32136 0.16079 0.16056 0.00023 109 8D+2 0.32289 0.16158 0.16131 0.00027 110 8D-2 0.32341 0.16131 0.16210 -0.00079 111 6 Cu 1S 1.99758 0.99878 0.99880 -0.00003 112 2S 0.59666 0.33854 0.25812 0.08043 113 3S -0.15533 -0.06517 -0.09016 0.02499 114 4PX 1.99530 0.99765 0.99765 0.00000 115 4PY 1.99546 0.99772 0.99774 -0.00002 116 4PZ 1.99525 0.99763 0.99762 0.00002 117 5PX 0.26423 0.13592 0.12831 0.00761 118 5PY 0.29138 0.14824 0.14314 0.00511 119 5PZ 0.25430 0.13224 0.12206 0.01018 120 6PX -0.01573 -0.00787 -0.00786 -0.00001 121 6PY 0.02358 0.00898 0.01460 -0.00563 122 6PZ -0.02287 -0.00725 -0.01562 0.00837 123 7D 0 1.63459 0.81603 0.81856 -0.00252 124 7D+1 1.65350 0.83013 0.82337 0.00676 125 7D-1 1.64913 0.83375 0.81538 0.01838 126 7D+2 1.61800 0.80873 0.80927 -0.00054 127 7D-2 1.62174 0.81195 0.80979 0.00217 128 8D 0 0.30703 0.15412 0.15291 0.00122 129 8D+1 0.30325 0.15115 0.15209 -0.00094 130 8D-1 0.30216 0.14931 0.15285 -0.00354 131 8D+2 0.31092 0.15577 0.15516 0.00061 132 8D-2 0.30696 0.15334 0.15362 -0.00027 133 7 Cu 1S 2.00417 1.00208 1.00209 -0.00001 134 2S 0.61570 0.40876 0.20694 0.20182 135 3S 0.03251 0.06917 -0.03665 0.10582 136 4PX 1.99498 0.99748 0.99751 -0.00003 137 4PY 1.99464 0.99730 0.99734 -0.00004 138 4PZ 1.99479 0.99739 0.99740 -0.00001 139 5PX 0.15113 0.08692 0.06421 0.02271 140 5PY 0.13314 0.08093 0.05222 0.02871 141 5PZ 0.15061 0.09261 0.05800 0.03461 142 6PX 0.03714 0.02273 0.01442 0.00831 143 6PY 0.02087 0.02033 0.00054 0.01979 144 6PZ 0.01231 0.00848 0.00383 0.00466 145 7D 0 1.65098 0.82335 0.82763 -0.00428 146 7D+1 1.64129 0.81976 0.82153 -0.00177 147 7D-1 1.64121 0.82138 0.81983 0.00155 148 7D+2 1.64773 0.82218 0.82555 -0.00337 149 7D-2 1.64249 0.82071 0.82179 -0.00108 150 8D 0 0.31397 0.15864 0.15533 0.00331 151 8D+1 0.31654 0.15964 0.15690 0.00273 152 8D-1 0.31632 0.15929 0.15704 0.00225 153 8D+2 0.31514 0.15910 0.15605 0.00305 154 8D-2 0.31635 0.15947 0.15688 0.00259 155 8 C 1S 1.99853 0.99928 0.99925 0.00003 156 2S 0.88607 0.45079 0.43528 0.01550 157 3S 0.69318 0.35078 0.34241 0.00837 158 4PX 0.65100 0.32865 0.32235 0.00630 159 4PY 0.83940 0.42631 0.41309 0.01322 160 4PZ 0.58211 0.30526 0.27685 0.02840 161 5PX 0.07206 0.03568 0.03638 -0.00070 162 5PY 0.05020 0.02440 0.02580 -0.00140 163 5PZ 0.10626 0.06225 0.04401 0.01823 164 9 O 1S 1.99922 0.99961 0.99961 0.00000 165 2S 0.99005 0.49560 0.49445 0.00115 166 3S 0.83694 0.41782 0.41912 -0.00129 167 4PX 1.11119 0.55546 0.55573 -0.00027 168 4PY 1.15459 0.57931 0.57528 0.00404 169 4PZ 1.10740 0.56220 0.54520 0.01700 170 5PX 0.31776 0.15816 0.15960 -0.00144 171 5PY 0.21734 0.10769 0.10964 -0.00195 172 5PZ 0.37399 0.18700 0.18700 0.00000 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.043029 -0.022657 0.069419 0.073991 -0.020818 -0.077625 2 Cu -0.022657 19.040694 -0.019872 0.071551 0.072744 -0.078652 3 Cu 0.069419 -0.019872 19.037543 -0.020634 0.069135 -0.080508 4 Cu 0.073991 0.071551 -0.020634 19.041506 -0.022654 -0.077250 5 Cu -0.020818 0.072744 0.069135 -0.022654 19.041080 -0.077373 6 Cu -0.077625 -0.078652 -0.080508 -0.077250 -0.077373 19.235097 7 Cu -0.035872 -0.041740 -0.048589 -0.041054 -0.035796 -0.100924 8 C 0.013629 0.008766 0.009746 0.008969 0.014639 0.150046 9 O -0.009400 -0.002391 0.001343 -0.003632 -0.009914 0.034280 7 8 9 1 Cu -0.035872 0.013629 -0.009400 2 Cu -0.041740 0.008766 -0.002391 3 Cu -0.048589 0.009746 0.001343 4 Cu -0.041054 0.008969 -0.003632 5 Cu -0.035796 0.014639 -0.009914 6 Cu -0.100924 0.150046 0.034280 7 Cu 19.246692 0.003108 -0.001783 8 C 0.003108 5.119225 0.550698 9 O -0.001783 0.550698 7.549282 Mulliken atomic charges: 1 1 Cu -0.033696 2 Cu -0.028445 3 Cu -0.017583 4 Cu -0.030794 5 Cu -0.031043 6 Cu 0.072909 7 Cu 0.055959 8 C 0.121174 9 O -0.108482 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.033696 2 Cu -0.028445 3 Cu -0.017583 4 Cu -0.030794 5 Cu -0.031043 6 Cu 0.072909 7 Cu 0.055959 8 C 0.121174 9 O -0.108482 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.031497 -0.002848 0.005002 0.006164 -0.003234 0.009335 2 Cu -0.002848 0.024964 -0.003792 0.005512 0.005932 0.010895 3 Cu 0.005002 -0.003792 0.020137 -0.003656 0.005006 0.009051 4 Cu 0.006164 0.005512 -0.003656 0.026739 -0.002795 0.011533 5 Cu -0.003234 0.005932 0.005006 -0.002795 0.031390 0.008335 6 Cu 0.009335 0.010895 0.009051 0.011533 0.008335 0.177660 7 Cu 0.030575 0.019080 0.011651 0.020626 0.031928 -0.064164 8 C -0.001133 -0.002871 -0.000997 -0.003150 -0.000504 -0.009820 9 O -0.000226 0.000104 -0.000193 0.000146 -0.000342 -0.000496 7 8 9 1 Cu 0.030575 -0.001133 -0.000226 2 Cu 0.019080 -0.002871 0.000104 3 Cu 0.011651 -0.000997 -0.000193 4 Cu 0.020626 -0.003150 0.000146 5 Cu 0.031928 -0.000504 -0.000342 6 Cu -0.064164 -0.009820 -0.000496 7 Cu 0.382950 -0.001414 0.000090 8 C -0.001414 0.132621 -0.024769 9 O 0.000090 -0.024769 0.042916 Mulliken atomic spin densities: 1 1 Cu 0.075132 2 Cu 0.056977 3 Cu 0.042210 4 Cu 0.061119 5 Cu 0.075717 6 Cu 0.152329 7 Cu 0.431323 8 C 0.087964 9 O 0.017230 Sum of Mulliken spin densities= 1.00000 Electronic spatial extent (au): = 2868.7263 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0112 Y= 0.0051 Z= -0.4590 Tot= 0.4591 Quadrupole moment (field-independent basis, Debye-Ang): XX= -100.8796 YY= -105.7484 ZZ= -102.3840 XY= 5.0269 XZ= 3.4894 YZ= -5.5292 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.1244 YY= -2.7444 ZZ= 0.6200 XY= 5.0269 XZ= 3.4894 YZ= -5.5292 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 63.2427 YYY= -98.7429 ZZZ= -67.9253 XYY= 19.2860 XXY= -32.9564 XXZ= -22.4347 XZZ= 25.7688 YZZ= -41.1694 YYZ= -25.1884 XYZ= 3.0981 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1126.8540 YYYY= -1417.1817 ZZZZ= -1051.9905 XXXY= 135.5440 XXXZ= 65.2230 YYYX= 156.9264 YYYZ= -118.4461 ZZZX= 60.3335 ZZZY= -97.7173 XXYY= -434.7535 XXZZ= -364.5883 YYZZ= -408.4948 XXYZ= -40.3755 YYXZ= 33.1954 ZZXY= 44.3049 N-N= 1.707327387782D+03 E-N=-7.043669027565D+03 KE= 1.004842316410D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.26389 29.12397 2 O -10.34592 15.96875 3 O -4.34458 2.68611 4 O -4.29805 2.68655 5 O -4.29614 2.68621 6 O -4.29580 2.68767 7 O -4.29563 2.68798 8 O -4.29495 2.68654 9 O -4.29473 2.68928 10 O -2.85547 5.08032 11 O -2.84886 5.08673 12 O -2.84823 5.08634 13 O -2.80601 5.07423 14 O -2.80598 5.07390 15 O -2.80531 5.07278 16 O -2.80456 5.08633 17 O -2.80446 5.08413 18 O -2.80394 5.07562 19 O -2.80389 5.08434 20 O -2.80338 5.08818 21 O -2.80319 5.08267 22 O -2.80306 5.09501 23 O -2.80229 5.09802 24 O -2.80212 5.09109 25 O -2.80205 5.09500 26 O -2.80178 5.09149 27 O -2.80161 5.09120 28 O -2.80138 5.10055 29 O -2.80084 5.08976 30 O -2.80065 5.09206 31 O -1.18009 2.85391 32 O -0.58225 2.51286 33 O -0.48270 2.12064 34 O -0.47639 2.02644 35 O -0.46380 2.32103 36 O -0.36104 2.02830 37 O -0.33859 7.82165 38 O -0.33821 7.74940 39 O -0.32763 8.72257 40 O -0.32755 8.72274 41 O -0.32435 7.23913 42 O -0.30844 7.55289 43 O -0.30818 8.35299 44 O -0.30770 7.98703 45 O -0.30754 8.47737 46 O -0.30733 8.51298 47 O -0.30145 8.42294 48 O -0.29199 8.65713 49 O -0.29180 8.68145 50 O -0.29149 8.93076 51 O -0.29118 8.92122 52 O -0.27969 9.17850 53 O -0.27916 9.06921 54 O -0.27908 9.08059 55 O -0.27879 9.17666 56 O -0.27315 8.63970 57 O -0.27269 8.64342 58 O -0.27143 8.78612 59 O -0.26812 9.48758 60 O -0.26729 9.48226 61 O -0.26693 9.32987 62 O -0.26679 9.31639 63 O -0.26538 9.27021 64 O -0.26151 9.57959 65 O -0.26106 9.57409 66 O -0.25947 9.64033 67 O -0.25930 9.52569 68 O -0.25926 9.59719 69 O -0.25303 9.68490 70 O -0.25290 9.71768 71 O -0.25212 9.69097 72 O -0.20693 2.73840 73 O -0.20685 2.73591 74 O -0.14715 1.78759 75 V -0.08374 1.79180 76 V -0.08110 1.52051 77 V -0.08051 0.79532 78 V -0.07983 1.21390 79 V -0.07387 1.05825 80 V -0.02619 0.81863 81 V -0.02215 0.86370 82 V -0.00470 0.63186 83 V -0.00330 0.72044 84 V 0.00387 0.60051 85 V 0.01112 0.50939 86 V 0.01124 0.50993 87 V 0.02061 0.51045 88 V 0.03300 0.42667 89 V 0.04210 0.31517 90 V 0.04222 0.31637 91 V 0.04522 0.31600 92 V 0.04638 0.33216 93 V 0.04647 0.32958 94 V 0.05115 0.35130 95 V 0.05199 0.35666 96 V 0.06311 0.41339 97 V 0.06329 0.44387 98 V 0.07218 0.35124 99 V 0.07266 0.35935 100 V 0.07979 0.36154 101 V 0.07996 0.37931 102 V 0.08530 0.70240 103 V 0.09069 0.45385 104 V 0.09072 0.45624 105 V 0.09473 0.23301 106 V 0.09686 0.26320 107 V 0.11159 0.16890 108 V 0.14448 0.84927 109 V 0.14474 0.85377 110 V 0.17295 1.15394 111 V 0.18594 1.08441 112 V 0.18841 1.27452 113 V 0.21218 1.09354 114 V 0.24382 1.21083 115 V 0.24592 1.18937 116 V 0.24813 1.22208 117 V 0.25590 1.38552 118 V 0.27493 1.66685 119 V 0.28642 1.06799 120 V 0.30664 1.60476 121 V 0.31601 1.58878 122 V 0.33586 1.65238 123 V 0.40082 1.38639 124 V 0.41375 1.36985 125 V 0.54083 2.74192 126 V 0.63708 4.56656 127 V 0.63723 4.57227 128 V 0.65197 3.50773 129 V 0.67266 3.94144 130 V 0.67640 3.92978 131 V 0.68034 3.64820 132 V 0.68492 3.81360 133 V 0.68798 3.39630 134 V 0.71525 4.23569 135 V 0.72920 4.06581 136 V 0.74498 3.76373 137 V 0.79120 4.06268 138 V 0.79970 3.93462 139 V 0.85142 3.19727 140 V 0.85710 4.34341 141 V 0.85926 4.36262 142 V 0.86382 4.33835 143 V 0.86766 4.30889 144 V 0.87814 4.42108 145 V 0.87923 4.38190 146 V 0.97618 4.48214 147 V 0.97692 4.43903 148 V 0.98494 4.19641 149 V 1.04035 4.43930 150 V 1.04141 4.44605 151 V 1.06165 4.48713 152 V 1.09665 4.37011 153 V 1.15576 4.20892 154 V 1.16172 4.21748 155 V 1.21976 4.66128 156 V 1.24819 4.65206 157 V 1.24850 4.65124 158 V 1.27510 4.66160 159 V 1.27870 4.66072 160 V 1.32532 4.69011 161 V 1.32683 4.68052 162 V 1.33927 4.71496 163 V 1.34344 4.64868 164 V 1.35089 4.74287 165 V 1.64009 3.49985 166 V 1.79807 2.10583 167 V 1.80481 2.02884 168 V 1.82086 2.02511 169 V 2.17677 1.30305 170 V 2.24174 1.55824 171 V 2.55829 1.39801 172 V 9.39938 2.85827 Orbital energies and kinetic energies (beta): 1 2 1 O -19.26306 29.12461 2 O -10.34411 15.96959 3 O -4.34241 2.68604 4 O -4.29724 2.68663 5 O -4.29551 2.68634 6 O -4.29513 2.68764 7 O -4.29495 2.68786 8 O -4.29422 2.68649 9 O -4.29400 2.68924 10 O -2.85318 5.08096 11 O -2.84699 5.08667 12 O -2.84598 5.08626 13 O -2.80518 5.07524 14 O -2.80518 5.07552 15 O -2.80455 5.07068 16 O -2.80391 5.07533 17 O -2.80377 5.08166 18 O -2.80346 5.08357 19 O -2.80332 5.08168 20 O -2.80287 5.08986 21 O -2.80271 5.08831 22 O -2.80231 5.09717 23 O -2.80189 5.09735 24 O -2.80178 5.09704 25 O -2.80131 5.10046 26 O -2.80117 5.09041 27 O -2.80074 5.09120 28 O -2.80055 5.09100 29 O -2.79968 5.08956 30 O -2.79949 5.09194 31 O -1.17814 2.85199 32 O -0.57903 2.51802 33 O -0.47889 2.12978 34 O -0.47530 2.02960 35 O -0.45699 2.28125 36 O -0.35569 2.25398 37 O -0.33746 7.84499 38 O -0.33675 7.73256 39 O -0.32580 8.72779 40 O -0.32570 8.73542 41 O -0.31965 7.20429 42 O -0.30707 8.37337 43 O -0.30687 8.37750 44 O -0.30653 8.53081 45 O -0.30640 8.55087 46 O -0.30553 7.26286 47 O -0.29963 8.33783 48 O -0.29135 8.62142 49 O -0.29117 8.63781 50 O -0.29062 8.99753 51 O -0.29031 8.97981 52 O -0.27837 9.19111 53 O -0.27789 9.09372 54 O -0.27783 9.09579 55 O -0.27754 9.17396 56 O -0.27191 8.70731 57 O -0.27183 8.71740 58 O -0.26805 9.46008 59 O -0.26748 8.89467 60 O -0.26719 9.48633 61 O -0.26594 9.37243 62 O -0.26548 9.22237 63 O -0.26142 9.31243 64 O -0.25961 9.58122 65 O -0.25929 9.71254 66 O -0.25881 9.57612 67 O -0.25767 9.54195 68 O -0.25764 9.53757 69 O -0.25257 9.71700 70 O -0.25161 9.69784 71 O -0.25078 9.70295 72 O -0.20394 2.63987 73 O -0.20358 2.63081 74 V -0.09998 1.73020 75 V -0.07970 0.79744 76 V -0.07952 0.88431 77 V -0.07709 1.84887 78 V -0.07696 1.20318 79 V -0.07038 1.51456 80 V -0.01750 0.73564 81 V -0.01529 0.73958 82 V -0.00317 0.67989 83 V -0.00255 0.74796 84 V 0.00984 0.44850 85 V 0.01143 0.50306 86 V 0.01149 0.50393 87 V 0.02329 0.55533 88 V 0.03422 0.42221 89 V 0.04218 0.31487 90 V 0.04231 0.31581 91 V 0.04724 0.31234 92 V 0.04735 0.31331 93 V 0.04844 0.34788 94 V 0.05344 0.35067 95 V 0.05404 0.35474 96 V 0.06512 0.46436 97 V 0.06527 0.44347 98 V 0.07256 0.34625 99 V 0.07304 0.34979 100 V 0.07977 0.37741 101 V 0.07998 0.39829 102 V 0.09089 0.45725 103 V 0.09091 0.46087 104 V 0.09176 0.70668 105 V 0.09547 0.23506 106 V 0.09801 0.31361 107 V 0.11133 0.16899 108 V 0.14735 0.84723 109 V 0.14806 0.85235 110 V 0.17600 1.13900 111 V 0.18817 1.06418 112 V 0.19149 1.27859 113 V 0.21495 1.12101 114 V 0.24683 1.17335 115 V 0.24777 1.17421 116 V 0.25253 1.24393 117 V 0.26105 1.38196 118 V 0.27801 1.65988 119 V 0.28658 1.06786 120 V 0.31089 1.61512 121 V 0.31887 1.56541 122 V 0.33982 1.64848 123 V 0.40375 1.39589 124 V 0.41472 1.37173 125 V 0.54357 2.71468 126 V 0.63997 4.55693 127 V 0.64018 4.56163 128 V 0.65547 3.52202 129 V 0.67425 3.94008 130 V 0.67812 3.95712 131 V 0.68238 3.62726 132 V 0.68615 3.80609 133 V 0.68903 3.41180 134 V 0.71667 4.23382 135 V 0.73070 4.03772 136 V 0.74730 3.73403 137 V 0.79497 4.07617 138 V 0.80285 3.95601 139 V 0.85442 3.24941 140 V 0.85962 4.27162 141 V 0.86169 4.30278 142 V 0.86747 4.36762 143 V 0.87056 4.33243 144 V 0.87939 4.42404 145 V 0.88075 4.36669 146 V 0.97843 4.47717 147 V 0.97913 4.43526 148 V 0.98758 4.19654 149 V 1.04296 4.44101 150 V 1.04403 4.44739 151 V 1.06309 4.48378 152 V 1.10086 4.36787 153 V 1.15783 4.20517 154 V 1.16329 4.21482 155 V 1.22613 4.66692 156 V 1.24953 4.65175 157 V 1.24973 4.65161 158 V 1.27945 4.65992 159 V 1.28299 4.65928 160 V 1.32907 4.68693 161 V 1.33125 4.67372 162 V 1.34158 4.70969 163 V 1.34352 4.64977 164 V 1.35271 4.73981 165 V 1.64131 3.50369 166 V 1.80125 2.09260 167 V 1.80529 2.03904 168 V 1.82098 2.02542 169 V 2.17805 1.30266 170 V 2.24311 1.55808 171 V 2.56166 1.39612 172 V 9.40094 2.85820 Total kinetic energy from orbitals= 1.004842316410D+03 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00056 0.00020 0.00019 2 Cu(63) 0.00000 0.00043 0.00015 0.00014 3 Cu(63) 0.00000 0.00038 0.00014 0.00013 4 Cu(63) 0.00000 0.00044 0.00016 0.00015 5 Cu(63) 0.00000 0.00056 0.00020 0.00019 6 Cu(63) 0.00000 0.00053 0.00019 0.00018 7 Cu(63) 0.00001 0.01082 0.00386 0.00361 8 C(13) 0.08991 101.08003 36.06787 33.71667 9 O(17) 0.01357 -8.22872 -2.93621 -2.74481 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.043502 0.041095 0.002406 2 Atom 0.036580 -0.018611 -0.017969 3 Atom -0.040022 0.011499 0.028523 4 Atom 0.010462 0.019735 -0.030197 5 Atom 0.000549 -0.024623 0.024074 6 Atom -0.010155 -0.012248 0.022403 7 Atom 0.025885 -0.018063 -0.007821 8 Atom -0.027216 0.000290 0.026926 9 Atom -0.065229 -0.019519 0.084749 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.000171 -0.058648 -0.006230 2 Atom -0.005085 0.009835 0.049375 3 Atom -0.036970 -0.005213 -0.009030 4 Atom 0.024168 -0.040501 0.029477 5 Atom -0.051277 0.033257 0.033566 6 Atom 0.002972 0.003767 -0.008111 7 Atom 0.045978 0.041316 -0.064526 8 Atom -0.021840 0.041579 -0.071770 9 Atom -0.037658 0.055104 -0.099230 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0836 -11.839 -4.224 -3.949 0.8250 0.0271 0.5644 1 Cu(63) Bbb 0.0365 5.172 1.846 1.725 -0.3917 0.7474 0.5367 Bcc 0.0471 6.667 2.379 2.224 0.4073 0.6638 -0.6272 Baa -0.0687 -9.730 -3.472 -3.246 -0.0997 -0.7035 0.7037 2 Cu(63) Bbb 0.0297 4.199 1.498 1.401 -0.3876 0.6788 0.6237 Bcc 0.0391 5.531 1.974 1.845 0.9164 0.2106 0.3403 Baa -0.0602 -8.523 -3.041 -2.843 0.8793 0.4659 0.0991 3 Cu(63) Bbb 0.0245 3.467 1.237 1.157 -0.3755 0.5500 0.7460 Bcc 0.0357 5.056 1.804 1.686 -0.2931 0.6932 -0.6585 Baa -0.0710 -10.047 -3.585 -3.351 0.5001 -0.3853 0.7755 4 Cu(63) Bbb 0.0308 4.358 1.555 1.454 -0.4519 0.6478 0.6133 Bcc 0.0402 5.689 2.030 1.898 0.7387 0.6572 -0.1498 Baa -0.0851 -12.044 -4.297 -4.017 0.5801 0.7119 -0.3957 5 Cu(63) Bbb 0.0372 5.271 1.881 1.758 -0.4912 0.6933 0.5272 Bcc 0.0478 6.772 2.417 2.259 0.6497 -0.1114 0.7520 Baa -0.0164 -2.317 -0.827 -0.773 -0.5275 0.8198 0.2228 6 Cu(63) Bbb -0.0081 -1.148 -0.410 -0.383 0.8449 0.5335 0.0375 Bcc 0.0245 3.465 1.236 1.156 0.0881 -0.2080 0.9741 Baa -0.1065 -15.082 -5.382 -5.031 -0.4230 0.6671 0.6132 7 Cu(63) Bbb 0.0516 7.305 2.607 2.437 0.2151 -0.5835 0.7831 Bcc 0.0549 7.777 2.775 2.594 0.8802 0.4632 0.1033 Baa -0.0637 -8.543 -3.048 -2.850 -0.3974 0.6217 0.6749 8 C(13) Bbb -0.0392 -5.264 -1.878 -1.756 0.8546 0.5186 0.0255 Bcc 0.1029 13.807 4.927 4.606 0.3342 -0.5870 0.7374 Baa -0.0864 6.255 2.232 2.086 0.8542 0.5193 0.0260 9 O(17) Bbb -0.0776 5.618 2.004 1.874 -0.4387 0.6929 0.5723 Bcc 0.1641 -11.872 -4.236 -3.960 0.2791 -0.5003 0.8197 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sat Apr 12 23:58:44 2008, MaxMem= 1258291200 cpu: 4.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l9999.exe) 1\1\GINC-CO-COMPUTE2\FOpt\UB3LYP\LANL2DZ\C1Cu7O1(2)\ZNAMESKI\12-Apr-20 08\0\\#P B3LYP/LANL2DZ Opt nosymm Pop=Full Freq(Raman) Geom=AllCheck\\ Cu7CO05\\0,2\Cu,-1.1553951155,-0.8642612835,1.6312777032\Cu,-2.3016388 368,0.0991926209,-0.3263744017\Cu,-0.8371489937,1.8423143752,-1.288401 4744\Cu,1.2093603587,1.9585250706,0.0914054162\Cu,1.0120612433,0.28376 02069,1.8898389908\Cu,0.2147292894,-0.3340654973,-0.4677506806\Cu,-1.0 165371989,1.6177174058,1.2370385095\C,1.1337970487,-1.8050294818,-1.31 22518766\O,1.7407721548,-2.7981534167,-1.4547821764\\Version=IA64L-G03 RevE.01\HF=-1486.5410663\S2=0.753614\S2-1=0.\S2A=0.750009\RMSD=5.202e- 09\RMSF=1.151e-04\Thermal=0.\Dipole=0.0043913,0.0020105,-0.1805651\PG= C01 [X(C1Cu7O1)]\\@ AND ALL THIS SCIENCE I DON'T UNDERSTAND IT'S JUST MY JOB FIVE DAYS A WEEK -- ELTON JOHN, "ROCKET MAN" Leave Link 9999 at Sat Apr 12 23:58:44 2008, MaxMem= 1258291200 cpu: 0.1 Job cpu time: 0 days 0 hours 2 minutes 3.4 seconds. File lengths (MBytes): RWF= 33 Int= 0 D2E= 0 Chk= 16 Scr= 1 Normal termination of Gaussian 03 at Sat Apr 12 23:58:44 2008. (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1.exe) Link1: Proceeding to internal job step number 2. ----------------------------------------------------------------- #P Geom=AllCheck Guess=Read SCRF=Check GenChk UB3LYP/LANL2DZ Freq ----------------------------------------------------------------- 1/10=4,29=7,30=1,38=1121,40=1,46=1/1,3,6; 2/15=1,40=1/2; 3/5=6,6=3,11=2,16=1,25=1,30=1,70=2,71=2,74=-5/1,2,3; 4/5=1,7=2,69=2/1; 5/5=2,38=6/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10; 10/6=1,31=1/2; 6/7=3,28=1/1; 7/10=1,25=1,30=1/1,2,3,16; 1/38=1120,46=1/6(3); 7/8=1,25=1,30=1,44=-1/16; 1/10=4,30=1,38=1120,46=1/3; 99//99; 3/5=6,6=3,11=2,14=-3,16=1,25=1,30=1,70=5,71=2,74=-5/1,2,3; 4/5=5,7=2,16=3,69=2/1; 5/5=2,38=5/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10; 10/6=101,13=10,31=1/2; 6/7=2,8=2,9=2,10=2,28=1/1; 7/7=1,10=1,30=1/16; 1/38=1120,46=1/6(-8); 7/8=1,25=1,30=1,44=-1/16; 1/10=4,30=1,38=1120,46=1/3; 99//99; Leave Link 1 at Sat Apr 12 23:58:44 2008, MaxMem= 1258291200 cpu: 0.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l101.exe) ------- Cu7CO05 ------- Redundant internal coordinates taken from checkpoint file: Cu7CO05.chk Charge = 0 Multiplicity = 2 Cu,0,-1.1553951155,-0.8642612835,1.6312777032 Cu,0,-2.3016388368,0.0991926209,-0.3263744017 Cu,0,-0.8371489937,1.8423143752,-1.2884014744 Cu,0,1.2093603587,1.9585250706,0.0914054162 Cu,0,1.0120612433,0.2837602069,1.8898389908 Cu,0,0.2147292894,-0.3340654973,-0.4677506806 Cu,0,-1.0165371989,1.6177174058,1.2370385095 C,0,1.1337970487,-1.8050294818,-1.3122518766 O,0,1.7407721548,-2.7981534167,-1.4547821764 Recover connectivity data from disk. Isotopes and Nuclear Properties: (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) in nuclear magnetons) Atom 1 2 3 4 5 6 7 8 9 IAtWgt= 63 63 63 63 63 63 63 12 16 AtmWgt= 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 12.0000000 15.9949146 NucSpn= 3 3 3 3 3 3 3 0 0 AtZEff= -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -3.6000000 -5.6000000 NQMom= -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 0.0000000 0.0000000 NMagM= 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 0.0000000 0.0000000 Leave Link 101 at Sat Apr 12 23:58:45 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 2.4647 calculate D2E/DX2 analytically ! ! R2 R(1,5) 2.4663 calculate D2E/DX2 analytically ! ! R3 R(1,6) 2.5621 calculate D2E/DX2 analytically ! ! R4 R(1,7) 2.5169 calculate D2E/DX2 analytically ! ! R5 R(2,3) 2.4716 calculate D2E/DX2 analytically ! ! R6 R(2,6) 2.5573 calculate D2E/DX2 analytically ! ! R7 R(2,7) 2.5302 calculate D2E/DX2 analytically ! ! R8 R(3,4) 2.4709 calculate D2E/DX2 analytically ! ! R9 R(3,6) 2.5528 calculate D2E/DX2 analytically ! ! R10 R(3,7) 2.5417 calculate D2E/DX2 analytically ! ! R11 R(4,5) 2.4654 calculate D2E/DX2 analytically ! ! R12 R(4,6) 2.5608 calculate D2E/DX2 analytically ! ! R13 R(4,7) 2.5265 calculate D2E/DX2 analytically ! ! R14 R(5,6) 2.5643 calculate D2E/DX2 analytically ! ! R15 R(5,7) 2.5141 calculate D2E/DX2 analytically ! ! R16 R(6,7) 2.8691 calculate D2E/DX2 analytically ! ! R17 R(6,8) 1.9291 calculate D2E/DX2 analytically ! ! R18 R(8,9) 1.1726 calculate D2E/DX2 analytically ! ! A1 A(2,1,5) 108.061 calculate D2E/DX2 analytically ! ! A2 A(1,2,3) 108.0165 calculate D2E/DX2 analytically ! ! A3 A(2,3,4) 107.8525 calculate D2E/DX2 analytically ! ! A4 A(3,4,5) 108.006 calculate D2E/DX2 analytically ! ! A5 A(1,5,4) 108.0629 calculate D2E/DX2 analytically ! ! A6 A(1,6,3) 102.6766 calculate D2E/DX2 analytically ! ! A7 A(1,6,4) 102.3616 calculate D2E/DX2 analytically ! ! A8 A(1,6,8) 117.1049 calculate D2E/DX2 analytically ! ! A9 A(2,6,4) 102.6173 calculate D2E/DX2 analytically ! ! A10 A(2,6,5) 102.3751 calculate D2E/DX2 analytically ! ! A11 A(2,6,8) 128.4746 calculate D2E/DX2 analytically ! ! A12 A(3,6,5) 102.6077 calculate D2E/DX2 analytically ! ! A13 A(3,6,8) 134.8824 calculate D2E/DX2 analytically ! ! A14 A(4,6,8) 126.3822 calculate D2E/DX2 analytically ! ! A15 A(5,6,8) 115.9793 calculate D2E/DX2 analytically ! ! A16 A(7,6,8) 169.5041 calculate D2E/DX2 analytically ! ! A17 A(1,7,3) 104.28 calculate D2E/DX2 analytically ! ! A18 A(1,7,4) 104.6344 calculate D2E/DX2 analytically ! ! A19 A(2,7,4) 104.374 calculate D2E/DX2 analytically ! ! A20 A(2,7,5) 104.5857 calculate D2E/DX2 analytically ! ! A21 A(3,7,5) 104.3548 calculate D2E/DX2 analytically ! ! A22 A(6,8,9) 161.0129 calculate D2E/DX2 analytically ! ! D1 D(5,1,2,3) 0.2167 calculate D2E/DX2 analytically ! ! D2 D(2,1,5,4) -0.0204 calculate D2E/DX2 analytically ! ! D3 D(1,2,3,4) -0.3296 calculate D2E/DX2 analytically ! ! D4 D(2,3,4,5) 0.3169 calculate D2E/DX2 analytically ! ! D5 D(3,4,5,1) -0.1837 calculate D2E/DX2 analytically ! ! D6 D(1,6,8,9) -37.5225 calculate D2E/DX2 analytically ! ! D7 D(2,6,8,9) -106.2386 calculate D2E/DX2 analytically ! ! D8 D(3,6,8,9) 173.4226 calculate D2E/DX2 analytically ! ! D9 D(4,6,8,9) 94.9963 calculate D2E/DX2 analytically ! ! D10 D(5,6,8,9) 27.5318 calculate D2E/DX2 analytically ! ! D11 D(7,6,8,9) 0.6289 calculate D2E/DX2 analytically ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 Number of steps in this run= 2 maximum allowed number of steps= 2. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Sat Apr 12 23:58:45 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 Differentiate once with respect to electric field. Nuclear step= 0.001000 Angstroms, electric field step= 0.001890 atomic units. Leave Link 106 at Sat Apr 12 23:58:45 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 -1.155395 -0.864261 1.631278 2 29 0 -2.301639 0.099193 -0.326374 3 29 0 -0.837149 1.842314 -1.288401 4 29 0 1.209360 1.958525 0.091405 5 29 0 1.012061 0.283760 1.889839 6 29 0 0.214729 -0.334065 -0.467751 7 29 0 -1.016537 1.617717 1.237039 8 6 0 1.133797 -1.805029 -1.312252 9 8 0 1.740772 -2.798153 -1.454782 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.464654 0.000000 3 Cu 3.993915 2.471578 0.000000 4 Cu 3.991416 3.994843 2.470946 0.000000 5 Cu 2.466308 3.990774 3.993730 2.465386 0.000000 6 Cu 2.562083 2.557305 2.552752 2.560843 2.564308 7 Cu 2.516928 2.530151 2.541746 2.526508 2.514121 8 C 3.845752 4.049720 4.145879 4.017500 3.825081 9 O 4.653116 5.099902 5.311055 5.029820 4.606051 6 7 8 9 6 Cu 0.000000 7 Cu 2.869108 0.000000 8 C 1.929146 4.778914 0.000000 9 O 3.061824 5.860765 1.172616 0.000000 Symmetry turned off by external request. Stoichiometry CCu7O(2) Framework group C1[X(CCu7O)] Deg. of freedom 21 Full point group C1 Rotational constants (GHZ): 0.3848847 0.3657967 0.3471913 Leave Link 202 at Sat Apr 12 23:58:45 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1707.3273877824 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sat Apr 12 23:58:46 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 551 NPtTot= 95194 NUsed= 99088 NTot= 99120 NSgBfM= 186 186 186 186. Leave Link 302 at Sat Apr 12 23:58:49 2008, MaxMem= 1258291200 cpu: 7.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Sat Apr 12 23:58:49 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the checkpoint file: Cu7CO05.chk Guess basis will be translated and rotated to current coordinates. of initial guess= 0.7536 Leave Link 401 at Sat Apr 12 23:58:49 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 99087 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306793046. IEnd= 239252 IEndB= 239252 NGot=1258291200 MDV= 955639085 LenX= 955639085 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1486.54106633621 DIIS: error= 7.47D-09 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1486.54106633621 IErMin= 1 ErrMin= 7.47D-09 ErrMax= 7.47D-09 EMaxC= 1.00D-01 BMatC= 5.01D-14 BMatP= 5.01D-14 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.100D+01 Coeff: 0.100D+01 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=4.45D-09 MaxDP=1.48D-07 OVMax= 3.64D-07 SCF Done: E(UB+HF-LYP) = -1486.54106634 A.U. after 1 cycles Convg = 0.4448D-08 -V/T = 2.4794 S**2 = 0.7536 KE= 1.004842313152D+03 PE=-7.043669024307D+03 EE= 2.844958257036D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7536, after 0.7500 Leave Link 502 at Sat Apr 12 23:59:02 2008, MaxMem= 1258291200 cpu: 42.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 172 NBasis= 172 NAE= 74 NBE= 73 NFC= 0 NFV= 0 NROrb= 172 NOA= 74 NOB= 73 NVA= 98 NVB= 99 **** Warning!!: The largest alpha MO coefficient is 0.12997200D+02 **** Warning!!: The smallest alpha delta epsilon is 0.63415344D-01 **** Warning!!: The largest beta MO coefficient is 0.12999140D+02 Leave Link 801 at Sat Apr 12 23:59:02 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 9. Will process 10 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Sat Apr 12 23:59:07 2008, MaxMem= 1258291200 cpu: 19.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sat Apr 12 23:59:08 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 9. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291126. G2DrvN: will do 10 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Sun Apr 13 00:00:20 2008, MaxMem= 1258291200 cpu: 283.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: UHF wavefunction. DoAtom=TTTTTTTTT Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F. MDV= 1258291117 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 303287412. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. There are 30 degrees of freedom in the 1st order CPHF. 28 vectors were produced by pass 0. AX will form 28 AO Fock derivatives at one time. 27 vectors were produced by pass 1. 27 vectors were produced by pass 2. 27 vectors were produced by pass 3. 27 vectors were produced by pass 4. 27 vectors were produced by pass 5. 27 vectors were produced by pass 6. 27 vectors were produced by pass 7. 11 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. Inv2: IOpt= 1 Iter= 1 AM= 3.61D-15 Conv= 1.00D-12. Inverted reduced A of dimension 234 with in-core refinement. FullF1: Do perturbations 1 to 30. Isotropic polarizability for W= 0.000000 266.42 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sun Apr 13 00:04:25 2008, MaxMem= 1258291200 cpu: 832.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26389 -10.34592 -4.34458 -4.29805 -4.29614 Alpha occ. eigenvalues -- -4.29580 -4.29563 -4.29495 -4.29473 -2.85547 Alpha occ. eigenvalues -- -2.84886 -2.84823 -2.80601 -2.80598 -2.80531 Alpha occ. eigenvalues -- -2.80456 -2.80446 -2.80394 -2.80389 -2.80338 Alpha occ. eigenvalues -- -2.80319 -2.80306 -2.80229 -2.80212 -2.80205 Alpha occ. eigenvalues -- -2.80178 -2.80161 -2.80138 -2.80084 -2.80065 Alpha occ. eigenvalues -- -1.18009 -0.58225 -0.48270 -0.47639 -0.46380 Alpha occ. eigenvalues -- -0.36104 -0.33859 -0.33821 -0.32763 -0.32755 Alpha occ. eigenvalues -- -0.32435 -0.30844 -0.30818 -0.30770 -0.30754 Alpha occ. eigenvalues -- -0.30733 -0.30145 -0.29199 -0.29180 -0.29149 Alpha occ. eigenvalues -- -0.29118 -0.27969 -0.27916 -0.27908 -0.27879 Alpha occ. eigenvalues -- -0.27315 -0.27269 -0.27143 -0.26812 -0.26729 Alpha occ. eigenvalues -- -0.26693 -0.26679 -0.26538 -0.26151 -0.26106 Alpha occ. eigenvalues -- -0.25947 -0.25930 -0.25926 -0.25303 -0.25290 Alpha occ. eigenvalues -- -0.25212 -0.20693 -0.20685 -0.14715 Alpha virt. eigenvalues -- -0.08374 -0.08110 -0.08051 -0.07983 -0.07387 Alpha virt. eigenvalues -- -0.02619 -0.02215 -0.00470 -0.00330 0.00387 Alpha virt. eigenvalues -- 0.01112 0.01124 0.02061 0.03300 0.04210 Alpha virt. eigenvalues -- 0.04222 0.04522 0.04638 0.04647 0.05115 Alpha virt. eigenvalues -- 0.05199 0.06311 0.06329 0.07218 0.07266 Alpha virt. eigenvalues -- 0.07979 0.07996 0.08530 0.09069 0.09072 Alpha virt. eigenvalues -- 0.09473 0.09686 0.11159 0.14448 0.14474 Alpha virt. eigenvalues -- 0.17295 0.18594 0.18841 0.21218 0.24382 Alpha virt. eigenvalues -- 0.24592 0.24813 0.25590 0.27493 0.28642 Alpha virt. eigenvalues -- 0.30664 0.31601 0.33586 0.40082 0.41375 Alpha virt. eigenvalues -- 0.54083 0.63708 0.63723 0.65197 0.67266 Alpha virt. eigenvalues -- 0.67640 0.68034 0.68492 0.68798 0.71525 Alpha virt. eigenvalues -- 0.72920 0.74498 0.79120 0.79970 0.85142 Alpha virt. eigenvalues -- 0.85710 0.85926 0.86382 0.86766 0.87814 Alpha virt. eigenvalues -- 0.87923 0.97618 0.97692 0.98494 1.04035 Alpha virt. eigenvalues -- 1.04141 1.06165 1.09665 1.15576 1.16172 Alpha virt. eigenvalues -- 1.21976 1.24819 1.24850 1.27510 1.27870 Alpha virt. eigenvalues -- 1.32532 1.32683 1.33927 1.34344 1.35089 Alpha virt. eigenvalues -- 1.64009 1.79807 1.80481 1.82086 2.17677 Alpha virt. eigenvalues -- 2.24174 2.55829 9.39938 Beta occ. eigenvalues -- -19.26306 -10.34411 -4.34241 -4.29724 -4.29551 Beta occ. eigenvalues -- -4.29513 -4.29495 -4.29422 -4.29400 -2.85318 Beta occ. eigenvalues -- -2.84699 -2.84598 -2.80518 -2.80518 -2.80455 Beta occ. eigenvalues -- -2.80391 -2.80377 -2.80346 -2.80332 -2.80287 Beta occ. eigenvalues -- -2.80271 -2.80231 -2.80189 -2.80178 -2.80131 Beta occ. eigenvalues -- -2.80117 -2.80074 -2.80055 -2.79968 -2.79949 Beta occ. eigenvalues -- -1.17814 -0.57903 -0.47889 -0.47530 -0.45699 Beta occ. eigenvalues -- -0.35569 -0.33746 -0.33675 -0.32580 -0.32570 Beta occ. eigenvalues -- -0.31965 -0.30707 -0.30687 -0.30653 -0.30640 Beta occ. eigenvalues -- -0.30553 -0.29963 -0.29135 -0.29117 -0.29062 Beta occ. eigenvalues -- -0.29031 -0.27837 -0.27789 -0.27783 -0.27754 Beta occ. eigenvalues -- -0.27191 -0.27183 -0.26805 -0.26748 -0.26719 Beta occ. eigenvalues -- -0.26594 -0.26548 -0.26142 -0.25961 -0.25929 Beta occ. eigenvalues -- -0.25881 -0.25767 -0.25764 -0.25257 -0.25161 Beta occ. eigenvalues -- -0.25078 -0.20394 -0.20358 Beta virt. eigenvalues -- -0.09998 -0.07970 -0.07952 -0.07709 -0.07696 Beta virt. eigenvalues -- -0.07038 -0.01750 -0.01529 -0.00317 -0.00255 Beta virt. eigenvalues -- 0.00984 0.01143 0.01149 0.02329 0.03422 Beta virt. eigenvalues -- 0.04218 0.04231 0.04724 0.04735 0.04844 Beta virt. eigenvalues -- 0.05344 0.05404 0.06512 0.06527 0.07256 Beta virt. eigenvalues -- 0.07304 0.07977 0.07998 0.09089 0.09091 Beta virt. eigenvalues -- 0.09176 0.09547 0.09801 0.11133 0.14735 Beta virt. eigenvalues -- 0.14806 0.17600 0.18817 0.19149 0.21495 Beta virt. eigenvalues -- 0.24683 0.24777 0.25253 0.26105 0.27801 Beta virt. eigenvalues -- 0.28658 0.31089 0.31887 0.33982 0.40375 Beta virt. eigenvalues -- 0.41472 0.54357 0.63997 0.64018 0.65547 Beta virt. eigenvalues -- 0.67425 0.67812 0.68238 0.68615 0.68903 Beta virt. eigenvalues -- 0.71667 0.73070 0.74730 0.79497 0.80285 Beta virt. eigenvalues -- 0.85442 0.85962 0.86169 0.86747 0.87056 Beta virt. eigenvalues -- 0.87939 0.88075 0.97843 0.97913 0.98758 Beta virt. eigenvalues -- 1.04296 1.04403 1.06309 1.10086 1.15783 Beta virt. eigenvalues -- 1.16329 1.22613 1.24953 1.24973 1.27945 Beta virt. eigenvalues -- 1.28299 1.32907 1.33125 1.34158 1.34352 Beta virt. eigenvalues -- 1.35271 1.64131 1.80125 1.80529 1.82098 Beta virt. eigenvalues -- 2.17805 2.24311 2.56166 9.40094 Alpha Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.26389 -10.34592 -4.34458 -4.29805 -4.29614 1 1 Cu 1S -0.00002 0.00006 0.00058 0.02574 0.01718 2 2S -0.00002 0.00000 -0.00080 -0.00055 0.00014 3 3S 0.00026 -0.00113 -0.00222 -0.00125 -0.00249 4 4PX 0.00000 0.00002 -0.00006 -0.00006 -0.00001 5 4PY 0.00000 0.00000 -0.00003 -0.00022 -0.00004 6 4PZ 0.00000 -0.00002 0.00009 0.00011 0.00006 7 5PX 0.00009 -0.00026 -0.00115 0.00041 -0.00007 8 5PY 0.00001 0.00023 0.00006 -0.00103 -0.00048 9 5PZ -0.00012 0.00021 0.00171 -0.00057 0.00087 10 6PX 0.00027 0.00020 -0.00083 -0.00003 0.00056 11 6PY -0.00046 -0.00019 0.00063 -0.00034 0.00034 12 6PZ -0.00028 0.00005 0.00081 0.00009 0.00032 13 7D 0 0.00000 0.00000 -0.00002 0.00003 -0.00001 14 7D+1 0.00001 -0.00003 0.00003 0.00000 -0.00002 15 7D-1 0.00000 0.00003 0.00000 0.00003 0.00000 16 7D+2 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-0.00411 71 4PY 0.18454 -0.42458 0.29102 -0.25958 -0.16851 72 4PZ 0.10685 0.15723 -0.34997 -0.01540 0.04712 73 5PX 0.00989 -0.01335 0.00048 -0.01061 -0.00536 74 5PY 0.00679 -0.01195 0.00633 -0.00824 -0.00363 75 5PZ 0.00001 0.00162 -0.00669 0.00251 0.00298 76 6PX -0.00507 -0.00135 0.00411 0.00201 -0.00464 77 6PY 0.00208 0.00239 0.00001 -0.00048 -0.00035 78 6PZ 0.00104 -0.00555 0.00471 0.00284 -0.00078 79 7D 0 -0.00048 0.00073 -0.00002 0.00054 0.00012 80 7D+1 0.00039 0.00043 -0.00075 -0.00001 0.00000 81 7D-1 0.00017 0.00042 -0.00075 0.00001 0.00012 82 7D+2 0.00024 0.00003 -0.00082 -0.00006 0.00034 83 7D-2 0.00077 -0.00141 0.00037 -0.00089 -0.00028 84 8D 0 -0.00003 0.00005 -0.00057 -0.00026 0.00014 85 8D+1 -0.00175 -0.00043 0.00112 0.00025 0.00044 86 8D-1 -0.00028 -0.00049 0.00105 0.00014 -0.00026 87 8D+2 -0.00016 -0.00043 0.00163 -0.00021 -0.00039 88 8D-2 0.00005 0.00052 0.00020 0.00017 0.00003 89 5 Cu 1S 0.00029 -0.00160 -0.00033 0.00049 0.00108 90 2S 0.00041 -0.00305 0.00067 0.00319 -0.00075 91 3S -0.00046 0.01092 -0.00473 -0.01427 0.02533 92 4PX -0.01624 -0.10662 0.08449 0.42176 -0.22777 93 4PY 0.01110 0.10096 -0.17411 0.06419 -0.00956 94 4PZ -0.00622 -0.22805 0.27718 0.23955 -0.25407 95 5PX 0.00105 -0.00443 0.00506 0.00919 -0.01062 96 5PY 0.00105 0.00148 -0.00301 -0.00031 0.00369 97 5PZ -0.00109 -0.00659 0.00730 0.00883 -0.00916 98 6PX 0.00230 0.00195 -0.00153 -0.00667 -0.00029 99 6PY 0.00349 -0.00502 0.00404 -0.00178 0.00216 100 6PZ -0.00134 -0.00101 -0.00484 0.00139 -0.00131 101 7D 0 0.00001 -0.00045 0.00055 0.00000 -0.00036 102 7D+1 -0.00006 -0.00052 0.00058 0.00118 -0.00078 103 7D-1 0.00004 0.00040 -0.00060 0.00010 0.00007 104 7D+2 -0.00004 -0.00004 -0.00003 0.00084 -0.00035 105 7D-2 0.00008 0.00010 -0.00030 0.00010 -0.00011 106 8D 0 0.00002 0.00060 -0.00079 0.00069 0.00026 107 8D+1 0.00012 -0.00037 -0.00017 -0.00044 0.00010 108 8D-1 -0.00006 -0.00096 0.00130 -0.00057 -0.00017 109 8D+2 0.00023 -0.00070 0.00066 -0.00103 0.00004 110 8D-2 -0.00036 0.00069 0.00009 -0.00102 0.00107 111 6 Cu 1S -0.00022 -0.00067 -0.00001 0.00042 -0.00076 112 2S -0.00007 -0.00027 0.00000 0.00043 0.00076 113 3S -0.00418 -0.01199 -0.00001 0.00469 -0.01936 114 4PX 0.00839 -0.00406 0.00417 0.00036 0.00128 115 4PY 0.00554 -0.00150 0.00255 -0.00283 -0.00148 116 4PZ -0.00280 -0.00846 0.00004 0.00775 -0.00488 117 5PX 0.00611 -0.00223 0.00221 -0.00188 -0.00446 118 5PY 0.00383 -0.00199 0.00143 0.00176 0.00730 119 5PZ -0.00258 -0.00757 0.00013 0.00657 0.00226 120 6PX 0.00669 -0.00548 0.00274 0.00146 0.00092 121 6PY 0.00641 0.00234 0.00137 -0.00300 -0.00173 122 6PZ -0.00273 -0.00732 0.00036 0.00348 -0.00307 123 7D 0 -0.00004 -0.00017 -0.00001 0.00032 -0.00009 124 7D+1 0.00018 -0.00001 0.00010 -0.00007 0.00001 125 7D-1 0.00004 -0.00017 0.00008 -0.00001 0.00003 126 7D+2 -0.00039 0.00002 -0.00013 0.00004 -0.00001 127 7D-2 0.00007 -0.00028 0.00009 0.00006 -0.00004 128 8D 0 0.00021 0.00087 0.00010 -0.00152 0.00042 129 8D+1 -0.00092 0.00018 -0.00024 0.00026 -0.00025 130 8D-1 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-0.00030 -0.00035 150 8D 0 -0.00037 -0.00101 0.00016 0.00055 -0.00063 151 8D+1 0.00080 -0.00043 0.00056 -0.00001 0.00080 152 8D-1 0.00068 0.00007 0.00022 0.00021 -0.00148 153 8D+2 -0.00077 0.00039 -0.00066 0.00089 0.00005 154 8D-2 0.00042 -0.00037 0.00017 0.00112 0.00041 155 8 C 1S -0.00001 -0.00002 0.00000 -0.00002 -0.00007 156 2S 0.00003 0.00015 -0.00001 -0.00053 -0.00077 157 3S 0.00050 0.00092 0.00002 0.00206 0.00742 158 4PX -0.00015 -0.00002 -0.00015 0.00008 -0.00007 159 4PY -0.00003 0.00017 -0.00010 -0.00005 0.00008 160 4PZ 0.00005 0.00018 0.00000 -0.00026 0.00037 161 5PX -0.00078 0.00186 0.00005 -0.00068 0.00031 162 5PY -0.00169 -0.00200 0.00009 0.00101 -0.00037 163 5PZ 0.00032 0.00066 -0.00004 0.00039 -0.00101 164 9 O 1S 0.00001 0.00002 0.00000 0.00000 0.00002 165 2S 0.00015 0.00038 0.00000 -0.00002 0.00044 166 3S -0.00069 -0.00168 0.00001 0.00005 -0.00208 167 4PX 0.00001 -0.00001 0.00005 0.00001 0.00000 168 4PY 0.00001 0.00000 0.00002 -0.00002 -0.00001 169 4PZ -0.00001 -0.00004 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7D+2 0.00037 0.00055 0.00017 0.00026 -0.00046 17 7D-2 0.00077 -0.00051 -0.00037 0.00023 -0.00055 18 8D 0 0.00116 0.00009 -0.00016 -0.00025 0.00025 19 8D+1 0.00058 -0.00087 -0.00091 -0.00022 0.00089 20 8D-1 -0.00078 0.00022 0.00077 0.00005 -0.00101 21 8D+2 -0.00058 -0.00052 -0.00042 -0.00028 0.00015 22 8D-2 -0.00129 -0.00027 -0.00033 0.00000 0.00013 23 2 Cu 1S -0.00136 -0.00204 0.00053 0.00007 0.00088 24 2S 0.00128 0.00066 -0.00120 0.00092 -0.00077 25 3S -0.02082 -0.01782 0.00166 -0.00140 0.00761 26 4PX -0.22427 -0.19040 0.11486 -0.07563 0.02838 27 4PY -0.36578 0.05717 0.31889 0.20328 -0.20853 28 4PZ 0.30912 -0.17486 -0.34721 -0.00942 0.33815 29 5PX -0.00625 -0.00535 0.00141 -0.00014 0.00078 30 5PY -0.00861 0.00151 0.00759 0.00426 -0.00524 31 5PZ 0.00609 -0.00471 -0.00864 -0.00026 0.00764 32 6PX -0.00459 -0.00440 0.00134 -0.00198 0.00360 33 6PY 0.00246 -0.00029 -0.01029 -0.00242 0.00708 34 6PZ -0.00717 -0.00319 0.01397 0.00273 -0.00429 35 7D 0 -0.00065 -0.00010 0.00035 -0.00008 -0.00012 36 7D+1 -0.00057 0.00046 0.00047 0.00000 -0.00047 37 7D-1 0.00024 0.00025 -0.00017 -0.00002 -0.00015 38 7D+2 0.00029 0.00044 -0.00012 0.00021 -0.00013 39 7D-2 0.00083 -0.00011 -0.00044 -0.00034 0.00027 40 8D 0 0.00030 0.00011 0.00087 0.00038 -0.00091 41 8D+1 0.00059 0.00013 0.00098 0.00033 -0.00164 42 8D-1 -0.00086 -0.00125 0.00066 -0.00067 0.00073 43 8D+2 0.00005 -0.00011 0.00008 0.00051 -0.00013 44 8D-2 0.00019 0.00062 -0.00175 -0.00026 0.00083 45 3 Cu 1S 0.00188 -0.00028 0.00000 0.00014 0.00087 46 2S -0.00211 -0.00001 0.00002 0.00066 -0.00111 47 3S 0.02544 -0.00198 0.00097 0.00671 0.00367 48 4PX 0.00418 -0.40217 0.54320 -0.38134 -0.10475 49 4PY -0.20889 -0.19248 0.29414 0.55425 0.19468 50 4PZ 0.16652 -0.06111 0.07071 0.57511 0.30494 51 5PX 0.00035 -0.00929 0.01303 -0.00720 -0.00218 52 5PY -0.00518 -0.00444 0.00692 0.00969 0.00432 53 5PZ 0.00419 -0.00159 0.00178 0.01379 0.00581 54 6PX 0.00294 0.00571 -0.01888 0.00430 0.00188 55 6PY -0.00396 0.00345 -0.01015 -0.00578 -0.00485 56 6PZ 0.00736 0.00005 -0.00225 -0.00603 0.00059 57 7D 0 -0.00023 0.00014 -0.00012 -0.00153 -0.00076 58 7D+1 0.00002 0.00063 -0.00053 0.00023 0.00008 59 7D-1 0.00043 0.00022 -0.00021 -0.00003 0.00005 60 7D+2 0.00040 0.00044 -0.00046 -0.00058 -0.00013 61 7D-2 0.00033 -0.00044 0.00038 -0.00086 -0.00014 62 8D 0 0.00037 -0.00001 -0.00048 -0.00049 -0.00005 63 8D+1 -0.00073 0.00027 -0.00239 0.00040 -0.00055 64 8D-1 0.00097 0.00003 -0.00106 -0.00037 0.00054 65 8D+2 -0.00066 0.00021 -0.00142 0.00004 -0.00049 66 8D-2 -0.00122 -0.00002 0.00132 0.00011 -0.00067 67 4 Cu 1S -0.00118 0.00217 -0.00077 0.00009 0.00080 68 2S 0.00102 -0.00086 0.00150 0.00078 -0.00050 69 3S -0.01908 0.01967 -0.00508 -0.00200 0.00761 70 4PX 0.36174 -0.15582 0.27151 -0.10894 0.12919 71 4PY -0.07495 -0.19777 -0.08967 0.14781 -0.19435 72 4PZ 0.38691 0.09855 0.35708 -0.07479 0.38615 73 5PX 0.00927 -0.00395 0.00569 -0.00292 0.00301 74 5PY -0.00060 -0.00591 -0.00321 0.00230 -0.00502 75 5PZ 0.00796 0.00289 0.00856 -0.00188 0.00882 76 6PX 0.00136 -0.00227 -0.00364 0.00214 -0.00643 77 6PY 0.00482 -0.00427 0.00866 0.00010 0.00201 78 6PZ -0.00544 0.00343 -0.01364 0.00397 -0.00574 79 7D 0 -0.00043 0.00035 -0.00025 -0.00004 0.00003 80 7D+1 0.00055 0.00037 0.00026 -0.00011 0.00049 81 7D-1 0.00075 0.00005 0.00054 -0.00003 0.00037 82 7D+2 0.00075 0.00009 0.00038 -0.00033 0.00034 83 7D-2 0.00039 -0.00054 0.00021 0.00005 -0.00011 84 8D 0 0.00030 -0.00032 -0.00022 0.00036 -0.00041 85 8D+1 -0.00004 -0.00111 0.00152 0.00012 0.00077 86 8D-1 -0.00103 0.00087 0.00005 -0.00054 0.00159 87 8D+2 -0.00029 -0.00041 0.00123 -0.00051 0.00093 88 8D-2 0.00018 -0.00016 0.00043 0.00042 -0.00010 89 5 Cu 1S 0.00009 -0.00241 -0.00109 0.00095 -0.00111 90 2S -0.00005 0.00263 0.00141 -0.00028 0.00217 91 3S 0.00293 -0.03771 -0.01212 0.00659 -0.01237 92 4PX 0.22951 0.39344 0.28085 0.03521 -0.10772 93 4PY 0.29712 -0.12132 0.15699 0.14531 -0.31033 94 4PZ -0.16800 0.44720 0.03360 -0.13087 0.30147 95 5PX 0.00464 0.01283 0.00641 -0.00037 -0.00288 96 5PY 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0.01127 -0.00011 0.02092 47 3S 0.04048 0.02438 0.04450 -0.00539 0.01767 48 4PX 0.00005 -0.00054 -0.00132 0.00007 -0.00221 49 4PY -0.00011 0.00121 0.00309 -0.00003 0.00507 50 4PZ 0.00008 -0.00072 -0.00252 0.00007 -0.00402 51 5PX 0.00679 0.00539 0.00433 0.00097 0.00424 52 5PY -0.01344 -0.01110 -0.00888 0.00162 -0.00845 53 5PZ 0.00253 0.00019 0.00702 -0.00074 0.00473 54 6PX 0.00289 -0.00959 0.01600 -0.00831 0.00349 55 6PY -0.00508 0.01583 -0.02669 -0.00010 -0.00727 56 6PZ -0.00012 0.02225 -0.02307 0.00170 -0.00342 57 7D 0 0.00012 -0.00044 -0.00025 -0.00013 0.00126 58 7D+1 0.00005 0.00099 0.00332 -0.00087 0.00513 59 7D-1 -0.00010 -0.00224 -0.00770 -0.00010 -0.01219 60 7D+2 0.00006 -0.00147 -0.00403 -0.00035 -0.00589 61 7D-2 0.00011 -0.00170 -0.00411 0.00052 -0.00614 62 8D 0 -0.00098 -0.00033 0.00075 -0.00005 0.00189 63 8D+1 -0.00015 -0.00020 0.00126 -0.00037 0.00183 64 8D-1 0.00030 0.00015 -0.00292 0.00002 -0.00436 65 8D+2 -0.00083 -0.00065 -0.00082 -0.00033 -0.00084 66 8D-2 -0.00125 -0.00091 -0.00050 0.00030 -0.00039 67 4 Cu 1S 0.00244 0.00083 -0.00118 -0.00016 -0.00184 68 2S 0.00315 0.00563 0.01027 0.00021 0.02147 69 3S 0.01723 0.03185 -0.00291 -0.02683 0.02721 70 4PX -0.00008 0.00077 0.00194 -0.00052 0.00402 71 4PY -0.00033 0.00130 0.00276 -0.00003 0.00545 72 4PZ -0.00001 0.00026 0.00021 0.00011 0.00026 73 5PX -0.00220 -0.00527 0.00209 0.00223 -0.00446 74 5PY -0.00642 -0.00903 -0.00149 0.00486 -0.01405 75 5PZ -0.00331 -0.00497 -0.00019 -0.00111 0.00039 76 6PX -0.00073 0.00305 0.00021 -0.01774 -0.00749 77 6PY -0.00305 -0.01317 0.00341 0.02320 0.00442 78 6PZ 0.00134 0.00731 -0.00755 0.02027 -0.00177 79 7D 0 -0.00001 -0.00152 -0.00407 0.00064 -0.00748 80 7D+1 -0.00002 0.00021 0.00083 -0.00063 0.00015 81 7D-1 -0.00010 0.00072 0.00088 0.00035 0.00090 82 7D+2 0.00004 -0.00122 -0.00131 -0.00015 -0.00232 83 7D-2 0.00003 0.00199 0.00592 -0.00261 0.01262 84 8D 0 -0.00021 -0.00045 -0.00102 0.00027 -0.00248 85 8D+1 0.00018 0.00009 0.00005 -0.00009 -0.00032 86 8D-1 0.00092 0.00089 0.00003 0.00034 -0.00119 87 8D+2 -0.00048 -0.00013 0.00050 0.00007 0.00016 88 8D-2 0.00020 0.00047 0.00186 -0.00100 0.00458 89 5 Cu 1S 0.00151 -0.00013 -0.00148 -0.00019 -0.00101 90 2S 0.00187 0.00540 0.01240 0.00135 0.02086 91 3S 0.01735 0.03365 -0.00100 0.01359 0.00262 92 4PX -0.00007 0.00041 0.00129 -0.00023 0.00329 93 4PY -0.00005 0.00059 0.00102 0.00025 -0.00004 94 4PZ -0.00015 0.00163 0.00332 0.00044 0.00518 95 5PX -0.00272 -0.00162 -0.00056 -0.00390 -0.00279 96 5PY 0.00112 -0.00214 -0.00085 -0.00043 -0.00453 97 5PZ -0.00507 -0.00885 -0.00352 -0.00394 -0.00661 98 6PX -0.00709 0.00908 -0.01085 -0.01201 -0.00481 99 6PY 0.00310 -0.02882 0.01820 0.00481 0.01549 100 6PZ -0.00302 -0.02465 0.00997 0.00506 0.01340 101 7D 0 -0.00002 0.00190 0.00335 0.00004 0.00761 102 7D+1 -0.00003 0.00128 0.00295 -0.00155 0.01069 103 7D-1 0.00008 0.00136 0.00283 0.00117 -0.00044 104 7D+2 -0.00002 -0.00003 -0.00032 0.00003 0.00371 105 7D-2 -0.00003 -0.00005 -0.00068 -0.00054 -0.00058 106 8D 0 0.00039 0.00055 0.00075 -0.00010 0.00215 107 8D+1 0.00047 0.00040 0.00090 -0.00025 0.00441 108 8D-1 -0.00056 0.00020 0.00042 0.00056 -0.00062 109 8D+2 0.00018 0.00001 -0.00010 0.00013 0.00182 110 8D-2 0.00015 -0.00046 -0.00041 0.00024 -0.00033 111 6 Cu 1S 0.00117 -0.01120 -0.00957 0.00000 -0.00551 112 2S 0.01171 0.08025 0.09190 -0.00007 0.16187 113 3S -0.12124 -0.19558 -0.04581 0.00006 -0.08841 114 4PX -0.00101 -0.01696 -0.01680 -0.00790 -0.02024 115 4PY 0.00167 0.02720 0.02731 -0.00482 0.03207 116 4PZ -0.00009 0.01448 0.00702 -0.00026 0.02468 117 5PX 0.01922 0.02375 0.01313 0.00825 0.02611 118 5PY -0.03142 -0.03891 -0.02154 0.00503 -0.04103 119 5PZ -0.00648 -0.00949 -0.00136 0.00028 -0.03607 120 6PX 0.01742 -0.02955 0.03520 0.08045 0.04283 121 6PY -0.02868 0.05145 -0.06089 0.04881 -0.06930 122 6PZ -0.00053 -0.06432 0.05978 0.00247 -0.01521 123 7D 0 -0.00080 -0.01886 -0.06079 -0.00131 -0.01117 124 7D+1 0.00041 -0.02979 -0.03139 -0.02384 -0.10140 125 7D-1 -0.00063 0.04770 0.05126 -0.01657 0.16095 126 7D+2 -0.00022 -0.02613 -0.05132 0.05741 -0.05887 127 7D-2 -0.00038 -0.05347 -0.10217 -0.02892 -0.12421 128 8D 0 -0.00299 -0.00942 -0.01616 -0.00035 -0.00605 129 8D+1 -0.00847 -0.01213 -0.00642 -0.00608 -0.03037 130 8D-1 0.01349 0.01947 0.01048 -0.00423 0.04832 131 8D+2 -0.00617 -0.01158 -0.01293 0.01544 -0.01890 132 8D-2 -0.01279 -0.02361 -0.02555 -0.00777 -0.03966 133 7 Cu 1S 0.00076 0.00071 -0.00053 0.00000 -0.00151 134 2S 0.00044 0.00439 0.01177 -0.00002 0.02506 135 3S -0.00377 -0.00883 0.01247 -0.00010 0.03136 136 4PX 0.00014 -0.00045 -0.00151 0.00005 -0.00311 137 4PY -0.00023 0.00070 0.00239 0.00003 0.00493 138 4PZ -0.00014 0.00081 0.00220 0.00000 0.00425 139 5PX 0.00087 0.00151 0.00466 0.00100 0.01061 140 5PY -0.00133 -0.00229 -0.00750 0.00064 -0.01695 141 5PZ -0.00289 -0.00621 -0.00325 0.00006 -0.01025 142 6PX -0.00157 0.00669 -0.01311 -0.03746 0.00029 143 6PY 0.00277 -0.01316 0.02308 -0.02265 0.00052 144 6PZ -0.00576 0.04635 -0.02988 -0.00110 -0.02298 145 7D 0 -0.00001 0.00017 0.00115 0.00003 0.00088 146 7D+1 -0.00007 -0.00124 -0.00349 0.00053 -0.00759 147 7D-1 0.00011 0.00196 0.00549 0.00033 0.01204 148 7D+2 -0.00005 -0.00064 -0.00163 -0.00053 -0.00397 149 7D-2 -0.00010 -0.00134 -0.00346 0.00027 -0.00834 150 8D 0 0.00015 0.00056 0.00050 0.00001 0.00022 151 8D+1 0.00020 -0.00041 -0.00159 0.00014 -0.00298 152 8D-1 -0.00030 0.00064 0.00251 0.00010 0.00471 153 8D+2 0.00022 -0.00009 -0.00054 -0.00063 -0.00166 154 8D-2 0.00044 -0.00021 -0.00120 0.00033 -0.00345 155 8 C 1S -0.11677 -0.16303 -0.03133 0.00003 -0.08144 156 2S 0.24149 0.38986 0.05174 -0.00005 0.15500 157 3S 0.06270 0.28178 0.11220 -0.00014 0.24867 158 4PX 0.12688 0.01263 -0.09463 0.34620 -0.23647 159 4PY -0.20754 -0.02178 0.13577 0.20982 0.39542 160 4PZ -0.03091 0.01800 0.39745 0.01071 -0.10613 161 5PX -0.02601 -0.03778 -0.00180 0.05285 -0.00807 162 5PY 0.04278 0.06167 -0.00001 0.03208 0.01467 163 5PZ 0.00192 0.01349 0.05760 0.00162 -0.02654 164 9 O 1S -0.21146 0.12616 -0.01722 0.00002 -0.02494 165 2S 0.46606 -0.28541 0.03170 -0.00003 0.04047 166 3S 0.31123 -0.37758 0.08412 -0.00006 0.14193 167 4PX -0.11876 -0.22451 0.12146 0.53276 0.17548 168 4PY 0.19433 0.36662 -0.22674 0.32344 -0.27181 169 4PZ 0.02763 0.06625 0.52334 0.01656 -0.33211 170 5PX 0.00888 -0.05627 0.02832 0.20396 0.03095 171 5PY -0.01460 0.09183 -0.05679 0.12380 -0.04453 172 5PZ -0.00067 0.01734 0.19954 0.00634 -0.12316 36 37 38 39 40 O O O O O EIGENVALUES -- -0.36104 -0.33859 -0.33821 -0.32763 -0.32755 1 1 Cu 1S -0.01339 -0.00152 -0.00046 -0.00254 0.00116 2 2S 0.17200 0.07020 0.05438 -0.04670 0.04312 3 3S -0.00655 0.09815 0.10139 -0.17817 0.12307 4 4PX -0.01334 0.00066 -0.01041 -0.00098 -0.01338 5 4PY -0.02737 -0.00972 -0.00909 0.00134 -0.00301 6 4PZ 0.02153 0.01461 0.00496 -0.01180 0.00056 7 5PX 0.00898 0.03056 0.01264 -0.02587 0.03067 8 5PY 0.02692 0.04659 0.04552 -0.02064 0.02058 9 5PZ -0.01883 -0.03156 -0.04343 0.04779 -0.02751 10 6PX -0.00722 0.02081 -0.03366 -0.01827 -0.01530 11 6PY -0.02946 -0.01169 -0.01734 -0.01784 0.00407 12 6PZ 0.01174 0.03720 -0.00203 0.00300 -0.01711 13 7D 0 -0.00197 0.09129 -0.02571 -0.13418 -0.10214 14 7D+1 -0.03468 -0.00414 -0.06632 0.02768 -0.11498 15 7D-1 -0.11752 -0.10779 -0.04809 0.02695 0.01392 16 7D+2 -0.03951 -0.03217 0.01977 0.02220 0.09036 17 7D-2 0.07671 -0.00670 0.09625 0.03749 0.06400 18 8D 0 -0.00072 0.03046 -0.00847 -0.04766 -0.03814 19 8D+1 -0.01179 -0.00171 -0.02231 0.00946 -0.04142 20 8D-1 -0.04162 -0.04009 -0.02103 0.00881 0.00355 21 8D+2 -0.01394 -0.01207 0.00491 0.00898 0.03242 22 8D-2 0.02701 0.00077 0.03493 0.01234 0.02161 23 2 Cu 1S -0.01299 -0.00136 0.00192 0.00167 -0.00269 24 2S 0.16433 0.10345 -0.06677 0.00455 -0.04302 25 3S -0.02908 0.14927 -0.06739 0.05977 -0.17385 26 4PX -0.03127 -0.02109 0.01351 -0.00183 0.00829 27 4PY -0.00922 -0.00054 0.00930 -0.00536 -0.00384 28 4PZ -0.01297 -0.00825 -0.00488 0.00939 0.00150 29 5PX 0.01846 0.08331 -0.03845 0.01471 -0.05448 30 5PY 0.01189 0.02472 -0.00289 0.00269 0.00931 31 5PZ 0.00975 0.02187 -0.02131 -0.01302 -0.00847 32 6PX -0.02518 -0.02990 0.01772 0.01044 -0.01847 33 6PY -0.00735 0.01401 0.03061 -0.00449 -0.01064 34 6PZ -0.01101 -0.01572 -0.03066 0.02597 -0.00822 35 7D 0 -0.03467 -0.04395 0.06997 -0.01679 0.04854 36 7D+1 0.08746 0.07714 0.07813 -0.15750 -0.01750 37 7D-1 0.00264 -0.02181 0.00651 0.01983 -0.00463 38 7D+2 0.08148 0.12470 -0.05492 0.03712 -0.04807 39 7D-2 0.06440 -0.01221 -0.10533 0.08796 0.08025 40 8D 0 -0.01219 -0.01623 0.02332 -0.00380 0.01751 41 8D+1 0.03059 0.02945 0.02503 -0.05738 -0.00749 42 8D-1 0.00071 -0.00765 0.00231 0.00760 -0.00201 43 8D+2 0.02837 0.04516 -0.02013 0.01371 -0.01608 44 8D-2 0.02279 -0.00025 -0.03694 0.03182 0.02899 45 3 Cu 1S -0.01282 0.00017 0.00249 0.00066 0.00334 46 2S 0.15908 -0.01521 -0.13673 0.00388 0.03173 47 3S -0.04383 -0.02182 -0.17064 0.02791 0.16704 48 4PX -0.00657 0.01173 0.00653 0.00825 -0.00515 49 4PY 0.01841 0.00351 -0.02005 0.00571 0.00594 50 4PZ -0.02747 0.00344 0.01848 0.00160 0.00066 51 5PX 0.00008 0.00676 -0.02515 -0.01091 0.02289 52 5PY -0.00452 0.01317 0.06214 -0.01418 -0.03963 53 5PZ 0.01733 -0.00812 -0.07548 -0.00046 0.01531 54 6PX -0.00844 0.04597 0.00660 0.01404 -0.00024 55 6PY 0.01975 0.01995 -0.02907 0.00502 -0.01189 56 6PZ -0.01829 0.00698 0.01506 0.00863 0.03276 57 7D 0 0.06433 -0.01819 0.01678 -0.02583 -0.06269 58 7D+1 0.04315 -0.10695 -0.05174 -0.06786 0.01007 59 7D-1 -0.10837 -0.02192 0.13867 -0.01136 0.00909 60 7D+2 -0.01684 -0.08397 0.06834 -0.13880 -0.02419 61 7D-2 -0.00436 0.08248 0.04322 0.08465 -0.08733 62 8D 0 0.02230 -0.00638 0.00268 -0.00892 -0.02163 63 8D+1 0.01510 -0.03571 -0.01946 -0.02359 0.00283 64 8D-1 -0.03783 -0.00632 0.05147 -0.00303 0.00428 65 8D+2 -0.00579 -0.02894 0.02349 -0.05161 -0.00767 66 8D-2 -0.00140 0.02813 0.01396 0.03167 -0.03093 67 4 Cu 1S -0.01303 0.00165 0.00159 -0.00248 -0.00185 68 2S 0.16557 -0.11081 -0.04012 -0.02097 -0.04138 69 3S -0.02445 -0.15702 -0.02898 -0.12027 -0.14556 70 4PX 0.02724 -0.01610 -0.01036 -0.00452 -0.00058 71 4PY 0.02185 -0.01757 -0.00099 -0.00095 -0.00981 72 4PZ -0.00607 0.00205 -0.00864 -0.00941 0.00409 73 5PX -0.02297 0.07362 0.00962 0.01677 0.02140 74 5PY -0.01071 0.06057 0.01755 0.02793 0.04559 75 5PZ 0.00490 -0.00706 -0.01276 0.01404 -0.00486 76 6PX 0.02288 -0.01567 -0.02589 0.01188 0.01556 77 6PY 0.01625 -0.03080 0.01295 0.01671 0.00425 78 6PZ -0.00674 0.00217 -0.03751 -0.02410 0.00656 79 7D 0 -0.05712 0.06417 0.02116 -0.00983 0.06228 80 7D+1 -0.01994 -0.01303 -0.08555 -0.07868 0.04393 81 7D-1 -0.04600 0.01995 -0.08136 -0.13669 0.04529 82 7D+2 0.03042 0.03510 -0.08209 -0.03587 0.10852 83 7D-2 0.11566 -0.13548 -0.03702 -0.03916 -0.00729 84 8D 0 -0.02000 0.02377 0.00677 -0.00544 0.02376 85 8D+1 -0.00674 -0.00417 -0.02854 -0.02729 0.01638 86 8D-1 -0.01627 0.00898 -0.02702 -0.04922 0.01738 87 8D+2 0.01096 0.00929 -0.02773 -0.01306 0.03867 88 8D-2 0.04048 -0.05115 -0.01346 -0.01413 -0.00177 89 5 Cu 1S -0.01342 0.00116 -0.00088 0.00274 0.00020 90 2S 0.17253 -0.05025 0.06775 0.06295 0.02054 91 3S -0.00509 -0.06915 0.11909 0.21607 0.04557 92 4PX 0.02577 -0.00153 0.01298 0.00256 0.00936 93 4PY -0.00681 0.00781 0.00102 0.00104 0.00972 94 4PZ 0.02633 -0.01206 0.01065 0.01236 -0.00157 95 5PX -0.02410 0.03832 -0.04661 -0.03258 -0.01670 96 5PY 0.00946 0.00076 0.02028 -0.00779 -0.00822 97 5PZ -0.02322 0.02680 -0.05637 -0.06491 -0.01123 98 6PX 0.02627 0.01584 0.03071 -0.01823 0.01587 99 6PY -0.01255 0.03135 0.01030 0.00235 0.01793 100 6PZ 0.01555 -0.03044 0.01304 -0.01249 -0.01078 101 7D 0 0.03078 -0.09453 0.02892 0.10591 -0.10645 102 7D+1 0.12524 -0.03092 0.10891 0.02328 0.08976 103 7D-1 -0.04969 0.08245 0.01041 0.03222 0.13127 104 7D+2 0.05879 0.03074 0.06335 -0.01570 0.03357 105 7D-2 -0.01281 0.03599 0.03189 -0.00076 0.08615 106 8D 0 0.01069 -0.03203 0.01079 0.03699 -0.03897 107 8D+1 0.04410 -0.01322 0.04171 0.00840 0.03363 108 8D-1 -0.01795 0.02909 -0.00011 0.01126 0.04673 109 8D+2 0.02070 0.00849 0.02378 -0.00480 0.00994 110 8D-2 -0.00445 0.01196 0.01025 -0.00098 0.03057 111 6 Cu 1S -0.00643 -0.00001 0.00045 0.00003 0.00005 112 2S 0.17709 -0.00057 -0.03138 0.00320 0.00957 113 3S 0.15725 0.00017 0.00432 -0.00010 -0.00043 114 4PX 0.03092 0.01597 -0.00945 -0.00315 -0.00040 115 4PY -0.04897 0.01007 0.01523 -0.00060 0.00311 116 4PZ -0.04021 0.00016 -0.01047 -0.00100 -0.00227 117 5PX -0.07443 0.01638 0.00384 0.00059 0.00089 118 5PY 0.11835 0.01007 -0.00614 -0.00019 -0.00099 119 5PZ 0.09036 0.00012 -0.02323 -0.00045 -0.00079 120 6PX -0.01093 0.00676 -0.01032 -0.01664 0.00235 121 6PY 0.01868 0.00469 0.01703 -0.00623 0.01124 122 6PZ -0.01892 -0.00002 -0.00636 -0.00639 -0.01543 123 7D 0 0.06727 -0.00346 0.50094 0.20879 0.44419 124 7D+1 -0.01863 -0.28379 -0.20357 0.58084 -0.05943 125 7D-1 0.02715 -0.17923 0.32162 0.18371 -0.43142 126 7D+2 0.02132 0.54473 0.12767 0.23806 -0.33185 127 7D-2 0.03973 -0.26520 0.25627 -0.33390 -0.29895 128 8D 0 0.02066 -0.00110 0.16349 0.06600 0.14039 129 8D+1 -0.00892 -0.09218 -0.06518 0.18422 -0.01828 130 8D-1 0.01340 -0.05830 0.10295 0.05781 -0.13750 131 8D+2 0.00476 0.17810 0.04267 0.07644 -0.10586 132 8D-2 0.00843 -0.08668 0.08575 -0.10660 -0.09493 133 7 Cu 1S -0.01283 0.00004 0.00154 -0.00009 -0.00024 134 2S 0.24590 -0.00069 -0.01851 -0.00086 -0.00293 135 3S 0.04077 -0.00007 0.02752 -0.00413 -0.01274 136 4PX -0.02023 0.01429 -0.00398 -0.00247 0.00032 137 4PY 0.03211 0.00883 0.00651 -0.00081 0.00172 138 4PZ 0.02632 0.00005 -0.01469 -0.00116 -0.00270 139 5PX 0.02406 0.02513 -0.00512 -0.00433 -0.00193 140 5PY -0.03787 0.01586 0.00846 -0.00003 0.00619 141 5PZ -0.03776 0.00028 -0.02892 -0.00047 -0.00009 142 6PX -0.01988 0.03335 -0.00985 0.00196 -0.00025 143 6PY 0.03099 0.02073 0.01563 0.00103 -0.00121 144 6PZ 0.03954 0.00044 -0.02655 0.00003 0.00074 145 7D 0 -0.00670 0.00123 -0.16021 -0.00379 -0.01000 146 7D+1 -0.05051 0.09926 0.02872 0.01905 0.01310 147 7D-1 0.08053 0.06324 -0.04388 -0.00639 -0.03230 148 7D+2 -0.03111 -0.14066 -0.04048 0.03819 -0.04186 149 7D-2 -0.06478 0.06787 -0.08274 -0.04165 -0.03023 150 8D 0 -0.00227 0.00041 -0.05290 -0.00139 -0.00363 151 8D+1 -0.01748 0.03282 0.00886 0.00596 0.00451 152 8D-1 0.02787 0.02091 -0.01350 -0.00228 -0.01056 153 8D+2 -0.01075 -0.04653 -0.01373 0.01238 -0.01338 154 8D-2 -0.02242 0.02244 -0.02808 -0.01336 -0.00948 155 8 C 1S 0.03431 -0.00006 -0.00509 -0.00053 -0.00149 156 2S -0.07749 0.00021 0.01480 0.00101 0.00284 157 3S -0.08576 0.00002 0.00919 0.00258 0.00752 158 4PX 0.06227 0.02314 -0.01091 0.00107 -0.00362 159 4PY -0.10189 0.01436 0.01796 0.00284 0.00403 160 4PZ -0.01446 0.00008 -0.02566 0.00094 0.00220 161 5PX 0.00994 0.02134 -0.00662 0.00163 -0.00035 162 5PY -0.01610 0.01329 0.01102 0.00063 -0.00121 163 5PZ -0.00703 0.00003 -0.02476 0.00064 0.00167 164 9 O 1S -0.00186 -0.00001 -0.00001 0.00012 0.00033 165 2S 0.01106 0.00001 -0.00075 -0.00047 -0.00126 166 3S -0.01600 0.00019 0.00761 -0.00034 -0.00106 167 4PX -0.03805 -0.08251 0.00550 -0.01144 0.00732 168 4PY 0.06263 -0.05018 -0.00949 -0.00860 -0.00035 169 4PZ 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0.15164 0.04698 0.20499 16 7D+2 -0.11654 0.13980 0.13778 0.12055 -0.01786 17 7D-2 0.01341 -0.00262 0.09613 -0.19287 0.29007 18 8D 0 -0.02848 0.06258 0.03383 0.01871 -0.04448 19 8D+1 0.01849 -0.07603 -0.03806 0.01854 -0.00167 20 8D-1 -0.02311 -0.01901 0.05306 0.01788 0.07213 21 8D+2 -0.03922 0.04639 0.04656 0.04262 -0.00759 22 8D-2 0.00593 -0.00095 0.03074 -0.06660 0.10204 23 2 Cu 1S -0.00079 -0.00162 0.00058 0.00130 -0.00251 24 2S -0.04250 -0.04641 -0.07540 0.07638 -0.02354 25 3S -0.05929 -0.07378 -0.13004 0.11647 -0.10021 26 4PX 0.00589 -0.00258 0.00834 -0.00352 0.00202 27 4PY -0.01021 0.00236 0.00564 -0.01067 -0.00099 28 4PZ -0.00425 0.00916 0.01132 -0.00404 0.00955 29 5PX -0.01418 -0.02014 -0.05747 0.04013 -0.01535 30 5PY 0.00699 -0.00916 -0.01808 0.00754 -0.02038 31 5PZ 0.00645 -0.00403 -0.01883 0.02407 -0.03073 32 6PX -0.01347 -0.03531 0.02323 0.00735 -0.00653 33 6PY -0.02597 -0.00647 -0.00853 -0.01730 -0.01299 34 6PZ -0.00782 0.01300 0.01401 0.01950 0.01292 35 7D 0 0.00602 -0.20266 -0.15130 0.02795 -0.17854 36 7D+1 0.08846 -0.02909 -0.19439 0.01885 -0.15225 37 7D-1 0.05564 -0.00037 -0.06297 0.00007 -0.04926 38 7D+2 -0.01950 0.13967 0.04931 -0.22236 -0.05584 39 7D-2 0.16797 0.03670 -0.15406 0.14065 0.03787 40 8D 0 0.00102 -0.06828 -0.04936 0.00929 -0.06257 41 8D+1 0.03209 -0.00749 -0.06658 0.00697 -0.05161 42 8D-1 0.01822 0.00050 -0.02160 -0.00027 -0.01823 43 8D+2 -0.00382 0.04691 0.01276 -0.07320 -0.02077 44 8D-2 0.05871 0.01307 -0.05342 0.04602 0.01241 45 3 Cu 1S -0.00059 -0.00143 -0.00006 0.00084 0.00359 46 2S -0.01916 -0.00858 0.00738 0.10905 0.05742 47 3S -0.01375 0.00808 0.01487 0.18085 0.16858 48 4PX 0.00449 -0.00259 -0.00642 0.00202 0.00087 49 4PY -0.00549 0.00622 -0.00306 -0.00006 -0.00138 50 4PZ -0.00880 -0.00111 -0.00223 -0.01689 -0.01111 51 5PX -0.00236 0.00087 -0.00910 0.01914 -0.00042 52 5PY 0.00132 -0.00264 -0.00954 -0.04665 -0.01067 53 5PZ 0.01478 0.01229 0.00422 0.05954 0.06013 54 6PX 0.00210 -0.01163 -0.02826 -0.00092 0.00501 55 6PY 0.00553 0.02969 -0.01286 0.00438 -0.01529 56 6PZ -0.02612 -0.01943 -0.00496 0.00041 0.00381 57 7D 0 0.16696 0.06810 0.05591 0.22471 0.14547 58 7D+1 0.01153 0.04821 0.14976 -0.04444 0.00025 59 7D-1 -0.08772 -0.16137 0.07102 0.06338 0.03343 60 7D+2 0.01571 -0.06286 0.00952 0.15269 0.06556 61 7D-2 0.04883 -0.05772 -0.01273 0.20799 0.08090 62 8D 0 0.05800 0.02550 0.01868 0.07503 0.05012 63 8D+1 0.00581 0.01706 0.04923 -0.01337 0.00021 64 8D-1 -0.03398 -0.05679 0.02295 0.01870 0.01098 65 8D+2 0.00450 -0.02160 0.00208 0.04971 0.02092 66 8D-2 0.01630 -0.01976 -0.00362 0.06823 0.02601 67 4 Cu 1S -0.00078 -0.00145 -0.00071 0.00143 -0.00225 68 2S -0.04919 -0.05641 0.07794 0.06836 -0.01872 69 3S -0.07022 -0.08977 0.12959 0.10245 -0.08484 70 4PX 0.00497 -0.00377 0.01269 0.01057 -0.00050 71 4PY -0.01103 0.00194 0.00423 -0.00364 -0.00365 72 4PZ -0.00420 0.01020 -0.00806 -0.00068 0.00987 73 5PX 0.00506 0.02536 -0.05012 -0.02803 0.02469 74 5PY 0.01850 0.01635 -0.03980 -0.02460 0.00329 75 5PZ 0.00813 -0.00037 0.00828 0.01485 -0.02479 76 6PX 0.02944 0.02006 0.01312 0.00666 0.01416 77 6PY -0.00481 0.02191 0.02586 -0.02294 -0.00659 78 6PZ -0.00293 0.02122 -0.00473 0.02101 0.01690 79 7D 0 -0.02402 -0.18354 0.04982 -0.00406 -0.13657 80 7D+1 -0.05628 0.10717 -0.15188 0.03723 0.19582 81 7D-1 -0.04623 0.10105 -0.14955 -0.04127 0.11863 82 7D+2 0.17132 -0.04604 0.21069 0.19870 0.07216 83 7D-2 0.05084 0.12051 0.04912 -0.15948 -0.08330 84 8D 0 -0.00945 -0.06244 0.01486 -0.00175 -0.04868 85 8D+1 -0.01890 0.03460 -0.05138 0.01233 0.06814 86 8D-1 -0.01698 0.03253 -0.05024 -0.01423 0.03936 87 8D+2 0.05847 -0.01467 0.07090 0.06519 0.02448 88 8D-2 0.02050 0.04062 0.02093 -0.05328 -0.03028 89 5 Cu 1S -0.00005 -0.00031 -0.00018 0.00099 0.00091 90 2S -0.07529 -0.10386 0.04242 -0.00683 0.01885 91 3S -0.08616 -0.13711 0.06173 -0.02894 0.03981 92 4PX -0.00025 -0.01418 0.00295 -0.00781 0.01000 93 4PY -0.00726 0.01058 -0.00964 -0.00067 0.00682 94 4PZ -0.01216 0.00011 0.00520 -0.00242 -0.00519 95 5PX 0.01444 0.03881 -0.02894 0.01620 -0.02116 96 5PY 0.00144 -0.01460 0.00301 -0.00853 -0.00412 97 5PZ 0.03019 0.04382 -0.01711 0.01617 0.00256 98 6PX 0.01195 -0.00790 -0.00983 -0.02490 0.01274 99 6PY -0.01954 0.00776 -0.01913 -0.02206 0.01979 100 6PZ -0.00588 0.01496 0.02715 -0.03284 -0.01727 101 7D 0 -0.08949 0.27489 -0.07491 0.04712 -0.14180 102 7D+1 0.04407 0.09558 0.06569 -0.12901 -0.05904 103 7D-1 -0.08324 0.16407 -0.16492 0.03946 0.14721 104 7D+2 0.04225 -0.05543 -0.10119 -0.18966 0.31773 105 7D-2 -0.08762 0.10321 -0.11915 0.07767 0.09264 106 8D 0 -0.02974 0.09022 -0.02527 0.01430 -0.04683 107 8D+1 0.01694 0.03064 0.02482 -0.04607 -0.02231 108 8D-1 -0.02863 0.05520 -0.05472 0.01415 0.05036 109 8D+2 0.01498 -0.01833 -0.03321 -0.06569 0.11245 110 8D-2 -0.02907 0.03424 -0.03994 0.02767 0.03159 111 6 Cu 1S 0.00375 0.00212 0.00005 -0.00233 -0.00052 112 2S -0.18080 0.05325 0.00010 -0.01469 -0.00547 113 3S -0.02931 0.37265 0.00476 -0.25019 -0.05973 114 4PX 0.00719 0.00743 -0.00109 -0.00607 -0.00126 115 4PY -0.01178 -0.01188 -0.00090 0.00957 0.00179 116 4PZ -0.00060 -0.00759 -0.00013 0.00728 0.00169 117 5PX 0.00207 -0.08628 -0.05999 0.08684 0.01695 118 5PY -0.00266 0.13566 -0.03351 -0.14295 -0.03007 119 5PZ -0.00618 0.14743 -0.00043 -0.03430 -0.01401 120 6PX -0.02048 0.00184 0.00852 -0.00484 -0.00016 121 6PY 0.03272 -0.00421 0.00502 0.00880 -0.00659 122 6PZ 0.02274 0.01284 0.00069 -0.02345 0.00625 123 7D 0 -0.02224 0.13764 -0.01031 0.21917 -0.07868 124 7D+1 -0.25223 -0.04865 -0.16873 -0.01319 -0.00027 125 7D-1 0.39266 0.08005 -0.10662 0.01224 0.07659 126 7D+2 -0.19080 0.02535 0.19441 0.06150 0.07567 127 7D-2 -0.38945 0.04227 -0.09579 0.10568 0.08588 128 8D 0 -0.00852 0.04591 -0.00334 0.07119 -0.02475 129 8D+1 -0.08266 -0.01658 -0.05499 -0.00385 -0.00004 130 8D-1 0.12884 0.02715 -0.03478 0.00322 0.02402 131 8D+2 -0.06272 0.00842 0.06426 0.02050 0.02407 132 8D-2 -0.12800 0.01408 -0.03169 0.03538 0.02730 133 7 Cu 1S 0.00492 0.00201 0.00003 -0.00195 -0.00041 134 2S 0.05798 -0.12633 -0.00102 0.06787 0.01803 135 3S 0.27537 -0.01484 0.00133 -0.04942 -0.00684 136 4PX -0.00308 0.00750 -0.02338 0.00525 -0.00020 137 4PY 0.00474 -0.01245 -0.01413 -0.01016 0.00006 138 4PZ 0.01026 0.00899 -0.00074 0.01873 0.00097 139 5PX 0.04674 -0.02317 0.02461 -0.00193 0.00162 140 5PY -0.07415 0.03715 0.01490 0.00510 -0.00369 141 5PZ -0.06066 0.01124 0.00081 -0.02572 -0.00135 142 6PX 0.00779 0.01761 -0.07062 0.01437 -0.00099 143 6PY -0.01258 -0.02869 -0.04278 -0.02865 0.00432 144 6PZ 0.00683 0.02051 -0.00267 0.07151 0.00047 145 7D 0 0.06061 0.26118 -0.00866 0.29090 0.23630 146 7D+1 -0.03832 -0.17823 -0.21874 0.00288 0.02702 147 7D-1 0.05909 0.25767 -0.14554 -0.03366 -0.25736 148 7D+2 -0.00145 -0.02755 0.36684 0.15627 -0.17858 149 7D-2 -0.00437 -0.05143 -0.19179 0.30384 -0.18462 150 8D 0 0.02033 0.08689 -0.00281 0.09609 0.08077 151 8D+1 -0.01625 -0.05927 -0.07220 0.00109 0.00918 152 8D-1 0.02522 0.08551 -0.04810 -0.01148 -0.08801 153 8D+2 -0.00239 -0.00938 0.12194 0.05217 -0.06147 154 8D-2 -0.00545 -0.01737 -0.06383 0.10158 -0.06363 155 8 C 1S 0.02326 0.00543 0.00013 -0.00747 -0.00125 156 2S -0.04498 -0.01813 -0.00037 0.02232 0.00436 157 3S -0.11344 0.02587 0.00015 -0.01656 -0.00649 158 4PX 0.04120 0.00963 0.01638 -0.01430 -0.00206 159 4PY -0.06799 -0.01546 0.00940 0.02482 0.00436 160 4PZ -0.00055 -0.01238 0.00049 -0.01492 -0.00160 161 5PX 0.00999 -0.02615 0.02452 0.00856 0.00328 162 5PY -0.01628 0.04264 0.01548 -0.01172 -0.00222 163 5PZ -0.00778 0.00194 0.00102 -0.03169 -0.00750 164 9 O 1S -0.00433 -0.00133 -0.00003 0.00124 0.00021 165 2S 0.01383 0.00139 0.00006 -0.00359 -0.00065 166 3S 0.01364 0.01707 0.00021 -0.00280 -0.00020 167 4PX -0.03495 -0.00626 -0.03632 0.00850 0.00027 168 4PY 0.05762 0.00953 -0.02164 -0.01697 -0.00352 169 4PZ 0.00764 0.02425 -0.00112 0.03502 0.00562 170 5PX -0.01162 0.00072 -0.02553 0.00143 -0.00089 171 5PY 0.01918 -0.00149 -0.01542 -0.00443 -0.00084 172 5PZ 0.00385 0.01298 -0.00085 0.02538 0.00447 46 47 48 49 50 O O O O O EIGENVALUES -- -0.30733 -0.30145 -0.29199 -0.29180 -0.29149 1 1 Cu 1S 0.00297 -0.00191 0.00051 -0.00077 -0.00047 2 2S 0.03383 -0.03262 -0.05438 0.05235 -0.00513 3 3S 0.12075 -0.09579 -0.07516 0.02489 -0.10351 4 4PX 0.00389 0.00155 -0.00707 -0.00842 0.00539 5 4PY -0.00788 -0.00143 0.00335 -0.00316 0.00228 6 4PZ 0.00225 -0.00292 -0.00925 0.00042 0.00611 7 5PX -0.00537 -0.00363 0.02217 0.02542 -0.01940 8 5PY 0.04504 -0.01402 -0.02069 0.01241 -0.02279 9 5PZ -0.00873 0.01022 0.02874 0.00185 -0.01249 10 6PX 0.01103 -0.00573 -0.02228 -0.00865 0.00495 11 6PY 0.00554 -0.01973 -0.00163 -0.01292 -0.02396 12 6PZ -0.00234 0.01058 -0.00478 -0.00604 0.02487 13 7D 0 -0.03998 -0.04675 -0.10197 0.10371 0.20561 14 7D+1 0.06715 -0.22173 -0.19039 0.24523 0.18574 15 7D-1 -0.09252 0.04629 0.00431 0.03443 -0.10049 16 7D+2 -0.09597 -0.23737 -0.08638 0.18610 0.08008 17 7D-2 -0.09924 -0.06709 0.08186 0.08664 0.00750 18 8D 0 -0.01418 -0.01511 -0.03251 0.03712 0.06892 19 8D+1 0.02145 -0.07614 -0.06302 0.08247 0.06049 20 8D-1 -0.03271 0.01574 0.00017 0.01206 -0.03285 21 8D+2 -0.03305 -0.08018 -0.02965 0.06068 0.02623 22 8D-2 -0.03528 -0.02280 0.02640 0.02922 0.00445 23 2 Cu 1S -0.00181 -0.00173 0.00111 0.00025 -0.00026 24 2S -0.03420 -0.03359 -0.05922 -0.02919 0.04500 25 3S -0.09842 -0.08100 0.00657 -0.04493 0.08638 26 4PX 0.00371 0.00291 0.00675 0.00361 -0.00333 27 4PY 0.01194 -0.00252 -0.00353 0.01053 -0.00009 28 4PZ -0.00392 -0.00224 0.00379 -0.00947 -0.00380 29 5PX -0.02424 -0.01026 -0.01460 -0.01321 0.01787 30 5PY -0.02857 -0.00769 0.01073 -0.03619 0.00849 31 5PZ -0.01041 -0.00547 -0.01183 0.02389 0.01731 32 6PX -0.00398 -0.01828 0.01269 -0.00289 0.01268 33 6PY 0.02151 -0.00962 0.00972 0.02142 0.00989 34 6PZ -0.01686 -0.00993 0.02023 -0.02333 -0.00481 35 7D 0 0.22263 -0.05396 -0.11462 -0.02040 -0.00534 36 7D+1 0.08470 0.04573 0.09053 0.29503 0.17351 37 7D-1 -0.02348 0.35621 0.40895 0.03070 -0.11644 38 7D+2 0.16154 0.01846 0.03440 -0.00578 -0.16277 39 7D-2 -0.22614 -0.00905 -0.01439 -0.22358 -0.20203 40 8D 0 0.07999 -0.01912 -0.03844 -0.00983 -0.00414 41 8D+1 0.02778 0.01489 0.03158 0.09751 0.05851 42 8D-1 -0.00845 0.12076 0.13555 0.01015 -0.03926 43 8D+2 0.05621 0.00738 0.01010 -0.00290 -0.05675 44 8D-2 -0.07655 -0.00395 -0.00526 -0.07298 -0.06814 45 3 Cu 1S -0.00030 -0.00159 -0.00011 0.00122 -0.00015 46 2S -0.00873 -0.03411 0.00481 -0.05982 0.01047 47 3S -0.02019 -0.07573 -0.00520 0.02518 0.00480 48 4PX -0.01243 0.00224 -0.01408 0.00200 0.00319 49 4PY -0.00644 -0.00393 -0.00670 -0.00673 0.00271 50 4PZ 0.00001 -0.00186 -0.00184 0.00301 -0.00029 51 5PX 0.01122 0.00002 0.04201 -0.00392 -0.01215 52 5PY 0.00913 0.00348 0.02061 0.01429 -0.00912 53 5PZ -0.00549 -0.01193 0.00451 -0.00324 0.00101 54 6PX -0.03094 -0.00245 -0.02987 -0.00288 0.00350 55 6PY -0.01485 0.00957 -0.01495 -0.00713 0.00168 56 6PZ -0.00363 -0.02127 -0.00684 0.02901 -0.00211 57 7D 0 0.05833 0.26196 -0.00098 0.32333 -0.04111 58 7D+1 0.37443 -0.11501 0.18100 -0.10780 0.02406 59 7D-1 0.18429 0.05966 0.03936 0.04095 -0.02790 60 7D+2 0.02164 -0.11902 0.29500 -0.11047 0.26719 61 7D-2 -0.09024 -0.19794 -0.18381 -0.30554 -0.12811 62 8D 0 0.02051 0.08768 -0.00103 0.10783 -0.01405 63 8D+1 0.13031 -0.03874 0.05698 -0.03639 0.00667 64 8D-1 0.06484 0.01982 0.01130 0.01349 -0.01043 65 8D+2 0.00450 -0.04128 0.09833 -0.03550 0.09242 66 8D-2 -0.02886 -0.06837 -0.06098 -0.10081 -0.04493 67 4 Cu 1S 0.00202 -0.00178 -0.00110 0.00009 0.00016 68 2S 0.03117 -0.03326 0.06513 -0.02740 -0.03868 69 3S 0.10212 -0.08384 0.00939 -0.06568 -0.08340 70 4PX 0.01042 0.00076 0.00320 -0.00872 -0.00018 71 4PY -0.00342 -0.00344 0.00704 0.00450 -0.00419 72 4PZ 0.00438 -0.00244 -0.00095 -0.01018 0.00644 73 5PX -0.03999 0.01359 -0.00860 0.03539 0.01223 74 5PY -0.00263 0.00517 -0.01702 -0.01247 0.01541 75 5PZ 0.00523 -0.00244 0.00557 0.02646 -0.02278 76 6PX 0.00976 0.01967 0.01867 -0.00381 0.01917 77 6PY -0.01443 0.01036 0.00274 0.01850 0.00123 78 6PZ 0.01393 -0.00547 -0.01150 -0.02424 0.01432 79 7D 0 -0.16475 -0.12293 0.22537 -0.06433 0.06460 80 7D+1 0.10522 -0.27974 0.36017 -0.12493 0.09544 81 7D-1 0.06525 0.17761 -0.14277 -0.17793 0.25693 82 7D+2 0.23867 0.05205 -0.01892 -0.15514 0.18043 83 7D-2 -0.06631 0.01216 -0.02681 0.01199 0.17976 84 8D 0 -0.06017 -0.04223 0.07629 -0.02315 0.02420 85 8D+1 0.03597 -0.09447 0.11995 -0.04013 0.03077 86 8D-1 0.02226 0.06107 -0.04603 -0.05794 0.08617 87 8D+2 0.08156 0.01649 -0.00646 -0.05016 0.05954 88 8D-2 -0.02362 0.00463 -0.00777 0.00427 0.06241 89 5 Cu 1S -0.00322 -0.00195 -0.00037 -0.00069 0.00069 90 2S -0.03685 -0.03238 0.04430 0.06141 -0.01234 91 3S -0.12532 -0.09755 0.06597 0.06428 0.09347 92 4PX -0.00476 0.00075 -0.00400 0.00761 0.00340 93 4PY 0.00715 -0.00183 -0.00918 0.00395 0.00193 94 4PZ -0.00139 -0.00290 0.00759 0.00254 -0.00534 95 5PX 0.03442 0.01215 0.00528 -0.03070 -0.02289 96 5PY -0.03002 -0.00538 0.03390 -0.00761 0.00045 97 5PZ 0.01022 0.01230 -0.02494 -0.00742 0.00769 98 6PX 0.01105 0.01754 -0.01587 0.00924 -0.01800 99 6PY 0.00419 -0.00778 -0.01770 0.00168 0.01853 100 6PZ 0.00940 0.01310 0.00138 -0.00898 -0.02406 101 7D 0 0.06576 0.01421 0.02067 -0.00890 -0.12332 102 7D+1 -0.00988 0.06796 -0.09880 -0.16103 0.10311 103 7D-1 0.09340 0.15938 -0.11772 -0.12224 0.24162 104 7D+2 0.04514 0.02850 -0.10724 0.01316 0.03340 105 7D-2 0.09114 -0.28411 0.06383 0.22408 -0.22311 106 8D 0 0.02227 0.00574 0.00508 -0.00150 -0.04220 107 8D+1 -0.00441 0.02324 -0.03258 -0.05534 0.03408 108 8D-1 0.03125 0.05476 -0.03760 -0.04167 0.07949 109 8D+2 0.01636 0.00953 -0.03540 0.00499 0.00933 110 8D-2 0.03206 -0.09626 0.02237 0.07403 -0.07413 111 6 Cu 1S 0.00015 0.00030 0.00001 0.00048 -0.00006 112 2S 0.00064 0.01863 -0.00020 -0.00596 0.00093 113 3S 0.01404 0.11419 -0.00051 -0.00595 0.00105 114 4PX -0.00016 -0.00512 -0.00822 -0.00188 0.00287 115 4PY -0.00076 0.00818 -0.00491 0.00433 0.00088 116 4PZ -0.00050 0.00395 -0.00038 -0.00786 0.00140 117 5PX -0.01183 0.03689 0.00608 0.00162 0.00433 118 5PY 0.00435 -0.05891 0.00377 -0.00306 0.00165 119 5PZ 0.00134 -0.03102 0.00034 0.00682 0.00017 120 6PX -0.00963 -0.00394 -0.01929 -0.00649 0.00413 121 6PY -0.00423 0.00591 -0.01124 0.01228 0.00009 122 6PZ -0.00165 0.00808 -0.00105 -0.01470 0.00207 123 7D 0 0.01989 0.01225 0.00318 -0.00637 0.05287 124 7D+1 0.11204 0.06869 0.03250 0.05843 0.19991 125 7D-1 0.03948 -0.10842 0.01215 -0.06682 0.09721 126 7D+2 0.07732 0.04667 0.12480 -0.05637 0.08355 127 7D-2 -0.08457 0.09616 -0.07104 -0.11697 -0.07666 128 8D 0 0.00613 0.00404 0.00079 -0.00469 0.01584 129 8D+1 0.03514 0.02189 0.00778 0.01739 0.05841 130 8D-1 0.01233 -0.03456 0.00243 -0.01978 0.02862 131 8D+2 0.02474 0.01490 0.03876 -0.01744 0.02348 132 8D-2 -0.02703 0.03071 -0.02193 -0.03569 -0.02146 133 7 Cu 1S 0.00012 0.00364 -0.00002 -0.00001 0.00002 134 2S -0.00381 0.08839 -0.00013 -0.00174 0.00042 135 3S 0.00331 0.35342 -0.00114 -0.00298 0.00201 136 4PX -0.00194 -0.00234 0.00181 0.00045 -0.00054 137 4PY -0.00053 0.00370 0.00107 -0.00100 -0.00011 138 4PZ -0.00097 0.00520 0.00007 0.00169 -0.00026 139 5PX -0.00020 0.03210 -0.03199 -0.00813 0.01546 140 5PY -0.00005 -0.05084 -0.01888 0.01859 0.00438 141 5PZ 0.00072 -0.05033 -0.00125 -0.02926 0.00587 142 6PX -0.00067 0.02289 0.03626 0.00933 -0.01456 143 6PY 0.00008 -0.03587 0.02161 -0.02060 -0.00430 144 6PZ -0.00233 -0.02372 0.00180 0.03225 -0.00642 145 7D 0 -0.09366 0.02118 0.01362 0.19410 0.02024 146 7D+1 -0.33088 0.07666 0.16769 0.01677 0.19311 147 7D-1 -0.12660 -0.12107 0.10006 -0.02163 0.06760 148 7D+2 -0.16017 0.05058 -0.01808 -0.01202 0.16840 149 7D-2 0.16130 0.10651 0.00006 -0.06135 -0.14831 150 8D 0 -0.03188 0.00719 0.00456 0.06563 0.00669 151 8D+1 -0.11321 0.02558 0.05654 0.00549 0.06467 152 8D-1 -0.04323 -0.04042 0.03377 -0.00716 0.02260 153 8D+2 -0.05527 0.01688 -0.00635 -0.00405 0.05660 154 8D-2 0.05569 0.03558 0.00019 -0.02062 -0.04980 155 8 C 1S 0.00042 -0.00844 0.00004 0.00123 -0.00023 156 2S -0.00134 0.02511 -0.00012 -0.00278 0.00057 157 3S 0.00150 -0.01413 0.00005 -0.00306 0.00010 158 4PX 0.00314 -0.01528 0.01026 0.00217 -0.00155 159 4PY -0.00002 0.02530 0.00604 -0.00489 0.00013 160 4PZ 0.00122 -0.00157 0.00056 0.01200 -0.00141 161 5PX 0.00477 0.00138 0.00694 0.00255 -0.00316 162 5PY 0.00325 -0.00237 0.00400 -0.00491 -0.00078 163 5PZ 0.00278 0.00309 0.00039 0.00479 -0.00105 164 9 O 1S -0.00006 0.00165 0.00000 -0.00008 0.00002 165 2S 0.00023 -0.00643 0.00003 0.00028 -0.00013 166 3S -0.00016 0.00183 -0.00009 -0.00133 0.00037 167 4PX -0.00680 0.01174 -0.02037 -0.00059 0.00167 168 4PY -0.00284 -0.01954 -0.01223 0.00332 0.00038 169 4PZ -0.00322 0.00137 -0.00116 -0.02407 0.00259 170 5PX -0.00427 0.00067 -0.01146 -0.00007 0.00158 171 5PY -0.00236 -0.00109 -0.00693 0.00146 0.00086 172 5PZ -0.00221 -0.00184 -0.00065 -0.01260 0.00156 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29118 -0.27969 -0.27916 -0.27908 -0.27879 1 1 Cu 1S -0.00048 -0.00117 -0.00049 -0.00044 -0.00084 2 2S 0.02617 -0.01978 0.01591 -0.00126 -0.00220 3 3S -0.01991 -0.11270 0.00914 -0.02262 -0.05205 4 4PX -0.00738 0.00069 -0.00099 0.00499 0.00107 5 4PY -0.00132 0.00055 -0.00405 -0.00196 -0.00156 6 4PZ -0.00112 -0.00226 -0.00335 0.00013 -0.00176 7 5PX 0.01939 -0.01171 0.01322 -0.02469 -0.00157 8 5PY -0.00012 -0.00735 0.00525 -0.00356 -0.00205 9 5PZ 0.00437 0.02374 0.01011 -0.01177 0.01407 10 6PX -0.01894 -0.01609 0.01103 -0.00749 -0.00461 11 6PY -0.01544 -0.00138 0.01580 0.00889 0.00635 12 6PZ -0.00527 0.02949 -0.00541 -0.00668 0.01007 13 7D 0 -0.28644 0.08791 -0.04674 -0.27029 0.18169 14 7D+1 0.00487 -0.02552 0.18522 0.04332 0.14772 15 7D-1 -0.01014 -0.13566 0.19387 0.02236 0.23077 16 7D+2 0.35826 0.22320 -0.08227 0.10835 -0.06481 17 7D-2 0.09853 -0.01660 -0.16975 -0.18339 0.20467 18 8D 0 -0.09695 0.02738 -0.01711 -0.08999 0.06100 19 8D+1 0.00025 -0.00845 0.06273 0.01574 0.05069 20 8D-1 -0.00544 -0.04531 0.06555 0.00870 0.07774 21 8D+2 0.12063 0.07322 -0.02609 0.03590 -0.02276 22 8D-2 0.02988 -0.00603 -0.05791 -0.06098 0.06799 23 2 Cu 1S 0.00036 0.00067 -0.00049 -0.00082 0.00091 24 2S 0.00603 0.01531 0.00411 -0.00175 0.02357 25 3S 0.08911 0.06922 -0.02887 -0.03508 0.10261 26 4PX 0.00138 -0.00230 -0.00030 0.00236 -0.00268 27 4PY 0.00226 0.00069 0.00341 -0.00249 0.00183 28 4PZ -0.00560 0.00066 -0.00298 -0.00405 -0.00149 29 5PX 0.00576 0.01681 -0.01237 -0.00589 0.02382 30 5PY -0.00074 -0.00373 -0.01451 -0.00962 -0.00817 31 5PZ 0.02662 0.00274 0.02647 0.00424 0.00877 32 6PX 0.02236 0.01613 -0.01596 0.00894 0.02671 33 6PY 0.01526 -0.00875 -0.00352 0.00733 -0.01052 34 6PZ 0.00529 -0.00447 0.00890 0.01254 -0.00106 35 7D 0 0.07419 0.28297 0.11486 0.29295 -0.05777 36 7D+1 -0.07373 -0.05483 -0.18929 -0.11719 0.01032 37 7D-1 0.19380 0.14387 -0.04043 0.03576 0.17077 38 7D+2 0.02802 0.15128 0.27748 -0.25078 -0.16530 39 7D-2 0.03873 0.05351 0.04517 0.07201 0.03449 40 8D 0 0.02653 0.09447 0.03727 0.09851 -0.02049 41 8D+1 -0.02634 -0.01963 -0.06233 -0.03950 0.00364 42 8D-1 0.06424 0.04741 -0.01282 0.01119 0.05555 43 8D+2 0.00930 0.05197 0.09166 -0.08577 -0.05491 44 8D-2 0.01450 0.01829 0.01515 0.02387 0.01020 45 3 Cu 1S 0.00018 0.00011 0.00097 0.00017 -0.00097 46 2S -0.05167 0.00299 0.02338 0.00086 -0.01797 47 3S -0.12920 0.01154 0.08150 0.01301 -0.10359 48 4PX 0.00069 -0.00045 -0.00280 0.00461 0.00112 49 4PY -0.00105 0.00031 0.00486 0.00265 -0.00106 50 4PZ 0.00503 -0.00005 0.00136 0.00058 0.00146 51 5PX -0.00241 0.00800 0.00258 -0.02763 -0.01543 52 5PY 0.00776 0.00178 -0.00840 -0.01893 0.02352 53 5PZ -0.03439 0.00233 0.01512 -0.00297 -0.00772 54 6PX -0.00448 0.00175 0.00476 -0.00767 -0.01683 55 6PY 0.01477 -0.00214 -0.00640 -0.00939 0.03129 56 6PZ -0.01784 -0.00021 -0.01074 -0.00076 -0.00973 57 7D 0 0.02646 0.06743 -0.03189 0.02271 -0.23984 58 7D+1 0.03529 0.24332 0.04707 -0.05087 0.15955 59 7D-1 -0.10603 0.17092 -0.18308 -0.03281 -0.19970 60 7D+2 -0.04187 -0.28994 -0.15243 0.20478 -0.06578 61 7D-2 -0.05861 0.14199 -0.22674 -0.12181 -0.06239 62 8D 0 0.00911 0.02233 -0.01090 0.00751 -0.07784 63 8D+1 0.01213 0.08111 0.01636 -0.01598 0.05266 64 8D-1 -0.03637 0.05701 -0.06258 -0.01036 -0.06621 65 8D+2 -0.01435 -0.09802 -0.05180 0.06675 -0.02227 66 8D-2 -0.02037 0.04815 -0.07691 -0.03976 -0.02089 67 4 Cu 1S 0.00043 -0.00085 -0.00041 0.00062 0.00101 68 2S -0.00199 -0.01673 0.00598 -0.00650 0.02013 69 3S 0.07882 -0.08398 -0.01922 0.00873 0.09822 70 4PX -0.00186 -0.00081 -0.00197 -0.00187 -0.00030 71 4PY -0.00006 -0.00222 0.00270 0.00221 0.00357 72 4PZ -0.00525 -0.00134 -0.00309 0.00428 -0.00034 73 5PX -0.00518 0.00926 0.01302 -0.00644 -0.00879 74 5PY -0.00516 0.01869 -0.00324 0.00542 -0.02178 75 5PZ 0.02250 0.00365 0.02920 -0.00713 0.00378 76 6PX -0.02450 0.00249 0.00947 0.01501 -0.00215 77 6PY -0.01023 0.02194 0.00711 0.01055 -0.02359 78 6PZ 0.00130 0.00875 0.01098 -0.00878 -0.00620 79 7D 0 0.05775 -0.21730 0.22043 -0.26306 -0.18291 80 7D+1 -0.13945 0.18319 0.08081 0.07482 -0.07895 81 7D-1 0.19687 -0.08738 0.17387 -0.02887 0.04474 82 7D+2 0.08517 -0.05049 -0.05631 -0.18088 0.08071 83 7D-2 0.04630 -0.10529 0.24484 0.25964 -0.09761 84 8D 0 0.02187 -0.07316 0.07233 -0.08852 -0.06229 85 8D+1 -0.04565 0.05973 0.02654 0.02430 -0.02554 86 8D-1 0.06647 -0.03012 0.05783 -0.00885 0.01432 87 8D+2 0.02974 -0.01628 -0.01832 -0.06045 0.02531 88 8D-2 0.01594 -0.03648 0.08113 0.08870 -0.03250 89 5 Cu 1S -0.00040 0.00118 -0.00064 0.00062 -0.00054 90 2S 0.02304 0.02203 0.01325 -0.00048 0.00014 91 3S -0.01334 0.11801 -0.00641 0.03029 -0.03044 92 4PX 0.00602 0.00087 0.00435 0.00086 0.00131 93 4PY 0.00624 -0.00008 -0.00133 0.00546 -0.00033 94 4PZ -0.00061 0.00217 -0.00306 0.00077 -0.00140 95 5PX -0.01443 -0.00948 -0.01176 -0.01738 -0.00549 96 5PY -0.01831 -0.00353 -0.00769 -0.01975 -0.00615 97 5PZ 0.00326 -0.02624 0.01032 0.00332 0.01210 98 6PX 0.02316 -0.00642 -0.01707 0.00265 -0.00476 99 6PY 0.01060 -0.00963 0.00197 -0.01313 0.00224 100 6PZ -0.00303 -0.03379 -0.00482 0.00390 0.00700 101 7D 0 -0.27273 -0.14744 -0.12871 0.23818 0.13215 102 7D+1 0.13828 -0.09377 -0.25196 0.04787 -0.27491 103 7D-1 0.14278 0.02457 -0.04153 -0.05399 -0.04119 104 7D+2 -0.03792 0.07352 -0.09966 0.14216 0.31471 105 7D-2 0.32925 -0.21157 -0.07518 -0.04524 0.01113 106 8D 0 -0.09162 -0.04759 -0.04502 0.07989 0.04418 107 8D+1 0.04824 -0.03176 -0.08496 0.01795 -0.09287 108 8D-1 0.04785 0.00837 -0.01355 -0.01740 -0.01458 109 8D+2 -0.01652 0.02431 -0.03470 0.04679 0.10520 110 8D-2 0.10948 -0.06904 -0.02440 -0.01494 0.00304 111 6 Cu 1S 0.00012 -0.00006 -0.00054 0.00006 -0.00012 112 2S -0.00176 0.00099 0.01557 -0.00227 0.00556 113 3S -0.00091 0.00208 0.03201 -0.00461 0.01192 114 4PX -0.00017 0.00386 0.00660 -0.02185 0.00023 115 4PY 0.00163 0.00106 -0.01595 -0.01057 -0.00693 116 4PZ -0.00297 0.00120 0.01666 -0.00265 0.00545 117 5PX -0.00158 -0.01599 -0.02806 0.09165 -0.00060 118 5PY 0.00557 -0.00403 0.06744 0.04461 0.02831 119 5PZ -0.00254 -0.00488 -0.06937 0.01118 -0.02269 120 6PX -0.00167 0.00690 0.00757 -0.03650 -0.00135 121 6PY 0.00556 0.00225 -0.02100 -0.01896 -0.00972 122 6PZ -0.00548 0.00207 0.02649 -0.00444 0.00974 123 7D 0 -0.16950 -0.00017 0.25000 -0.05040 0.13537 124 7D+1 0.00311 -0.04550 -0.10300 -0.17328 -0.05800 125 7D-1 0.11590 -0.00104 0.13562 -0.13238 -0.00672 126 7D+2 0.08737 -0.06227 0.07767 0.22878 0.01532 127 7D-2 0.10456 0.05731 0.07672 -0.11641 -0.02751 128 8D 0 -0.05017 0.00073 0.07785 -0.01521 0.03969 129 8D+1 0.00119 -0.01112 -0.03131 -0.05278 -0.01768 130 8D-1 0.03339 0.00071 0.04031 -0.04060 -0.00040 131 8D+2 0.02475 -0.01783 0.02450 0.07178 0.00686 132 8D-2 0.02969 0.01624 0.02515 -0.03727 -0.00613 133 7 Cu 1S -0.00008 -0.00008 -0.00130 0.00020 -0.00052 134 2S -0.00150 0.00033 0.00542 -0.00075 0.00180 135 3S -0.00685 -0.00317 -0.05164 0.00801 -0.02075 136 4PX 0.00009 -0.00105 -0.00194 0.01094 0.00051 137 4PY -0.00037 -0.00032 0.00559 0.00572 0.00298 138 4PZ 0.00040 -0.00049 -0.00926 0.00158 -0.00357 139 5PX -0.00240 0.00596 0.00414 -0.05578 -0.00490 140 5PY 0.01145 0.00271 -0.01983 -0.03107 -0.01163 141 5PZ -0.01286 0.00322 0.05735 -0.00954 0.02183 142 6PX 0.00169 -0.00317 -0.00387 0.00949 -0.00072 143 6PY -0.01037 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163 5PZ 0.00348 0.00004 -0.00206 0.00060 -0.00203 164 9 O 1S -0.00006 -0.00003 -0.00079 0.00013 -0.00039 165 2S 0.00052 0.00019 0.00316 -0.00046 0.00119 166 3S -0.00161 -0.00006 0.00203 -0.00055 0.00200 167 4PX -0.00033 0.00775 -0.00909 -0.05371 -0.00933 168 4PY 0.00129 0.00510 0.00118 -0.03374 -0.00276 169 4PZ -0.00376 0.00395 0.05875 -0.00914 0.02044 170 5PX 0.00046 0.00342 -0.00366 -0.02792 -0.00466 171 5PY 0.00016 0.00218 -0.00080 -0.01723 -0.00212 172 5PZ -0.00274 0.00174 0.02936 -0.00475 0.01105 56 57 58 59 60 O O O O O EIGENVALUES -- -0.27315 -0.27269 -0.27143 -0.26812 -0.26729 1 1 Cu 1S 0.00140 -0.00235 -0.00209 0.00018 0.00091 2 2S -0.02466 0.05522 0.07023 0.00810 0.00664 3 3S 0.00538 0.00673 0.02646 0.05390 0.13262 4 4PX 0.00482 -0.00241 -0.00264 -0.00333 -0.00129 5 4PY 0.00121 -0.00398 -0.00763 -0.00259 -0.00528 6 4PZ -0.00391 0.00740 0.00442 0.00120 0.00566 7 5PX -0.00563 0.01930 -0.00950 0.00650 0.01748 8 5PY 0.00517 0.00769 0.02727 0.01539 0.03854 9 5PZ 0.02210 -0.00658 -0.00198 -0.01764 -0.03759 10 6PX 0.00016 0.00193 -0.00421 -0.00023 0.00926 11 6PY -0.00050 0.00231 0.01011 0.00986 0.02563 12 6PZ 0.00236 0.00028 0.00330 -0.00957 -0.01721 13 7D 0 0.13768 0.13686 -0.00836 -0.04518 0.07093 14 7D+1 0.03943 -0.00974 -0.21224 -0.01530 0.06429 15 7D-1 -0.16236 0.21121 0.17112 0.21357 0.44850 16 7D+2 0.04081 -0.12067 0.14705 0.06598 0.07993 17 7D-2 0.09472 -0.15139 -0.18344 -0.06750 -0.21300 18 8D 0 0.04481 0.04439 -0.00212 -0.01423 0.02305 19 8D+1 0.01233 -0.00307 -0.06928 -0.00504 0.02022 20 8D-1 -0.05267 0.06908 0.05661 0.06897 0.14493 21 8D+2 0.01335 -0.03864 0.04843 0.02131 0.02608 22 8D-2 0.03092 -0.04938 -0.06020 -0.02218 -0.06857 23 2 Cu 1S -0.00203 -0.00276 -0.00034 -0.00084 -0.00063 24 2S 0.06091 0.07756 0.02789 -0.00697 -0.00396 25 3S 0.01733 0.02258 0.02010 -0.12226 -0.08030 26 4PX -0.00675 -0.01209 0.00002 0.00603 0.00285 27 4PY -0.00484 -0.00078 -0.00443 0.00206 0.00465 28 4PZ -0.00155 -0.00313 -0.00454 0.00350 0.00167 29 5PX 0.00719 0.02803 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0.01302 -0.02166 0.02312 -0.11403 0.09376 70 4PX 0.00620 -0.00848 0.00502 -0.00515 0.00637 71 4PY 0.00109 -0.01018 -0.00099 -0.00435 0.00040 72 4PZ 0.00052 0.00029 -0.00380 0.00202 -0.00089 73 5PX -0.00883 0.02247 -0.02585 0.04007 -0.03646 74 5PY -0.00060 0.01962 0.02102 0.02846 -0.01284 75 5PZ 0.01956 0.00205 0.01057 -0.00527 0.01576 76 6PX -0.00259 0.00690 -0.00843 0.02356 -0.01513 77 6PY 0.00035 0.00025 0.00466 0.01263 -0.01006 78 6PZ 0.00584 -0.00257 0.00436 -0.00286 0.00777 79 7D 0 0.04406 -0.02899 -0.13760 -0.20234 0.09974 80 7D+1 0.06570 0.14245 0.02883 0.01867 0.06211 81 7D-1 0.21771 -0.25851 -0.00388 -0.17355 0.20446 82 7D+2 -0.02796 0.15878 -0.23208 0.17172 -0.12758 83 7D-2 -0.05625 0.32519 -0.13321 0.31286 -0.19487 84 8D 0 0.01461 -0.00965 -0.04414 -0.06494 0.03169 85 8D+1 0.02142 0.04587 0.00924 0.00595 0.01940 86 8D-1 0.07091 -0.08432 -0.00046 -0.05642 0.06610 87 8D+2 -0.00969 0.05202 -0.07580 0.05556 -0.04147 88 8D-2 -0.01918 0.10623 -0.04397 0.10067 -0.06220 89 5 Cu 1S 0.00184 0.00179 -0.00227 0.00013 -0.00092 90 2S -0.03402 -0.04171 0.07407 0.00627 -0.00760 91 3S 0.00597 -0.00490 0.02666 0.03955 -0.13815 92 4PX -0.00333 -0.00195 0.00700 0.00320 -0.00432 93 4PY -0.00250 0.00129 -0.00235 0.00141 0.00226 94 4PZ -0.00615 -0.00633 0.00623 0.00120 -0.00656 95 5PX -0.00291 0.01475 -0.01758 -0.00887 0.03492 96 5PY 0.00717 0.01177 0.02103 0.00434 -0.01127 97 5PZ 0.02361 0.00578 -0.00367 -0.01496 0.04632 98 6PX 0.00017 0.00265 -0.00678 -0.00367 0.02319 99 6PY -0.00044 0.00072 0.00880 0.00585 -0.00911 100 6PZ 0.00244 -0.00009 0.00334 -0.00804 0.02228 101 7D 0 0.13662 -0.11245 0.04753 -0.07151 0.04518 102 7D+1 0.11998 0.21122 -0.08492 -0.10356 0.46005 103 7D-1 -0.14834 -0.02511 0.29429 0.13120 -0.22822 104 7D+2 0.05374 0.01695 -0.17267 -0.02696 0.13191 105 7D-2 0.11588 0.14712 0.00150 0.02981 -0.00049 106 8D 0 0.04471 -0.03635 0.01596 -0.02277 0.01426 107 8D+1 0.03930 0.06894 -0.02850 -0.03358 0.14843 108 8D-1 -0.04782 -0.00846 0.09650 0.04233 -0.07424 109 8D+2 0.01761 0.00566 -0.05671 -0.00904 0.04253 110 8D-2 0.03762 0.04742 0.00087 0.00946 -0.00032 111 6 Cu 1S 0.00129 -0.00001 0.00180 -0.00005 0.00003 112 2S 0.01431 -0.00010 0.01209 -0.00016 0.00010 113 3S 0.06902 -0.00123 0.11512 0.00152 0.00042 114 4PX 0.01357 0.02222 0.00745 0.00001 -0.00176 115 4PY -0.02224 0.01383 -0.01085 0.00046 -0.00121 116 4PZ 0.00722 0.00064 -0.02639 -0.00082 -0.00022 117 5PX -0.03941 -0.08584 -0.00889 -0.00065 0.01341 118 5PY 0.06504 -0.05322 0.01011 0.00117 0.00699 119 5PZ -0.03754 -0.00242 0.08526 0.00071 0.00175 120 6PX -0.01518 -0.02191 -0.00491 -0.00006 0.00015 121 6PY 0.02523 -0.01362 0.00700 -0.00030 0.00011 122 6PZ -0.01625 -0.00058 0.01899 -0.00005 0.00038 123 7D 0 -0.01322 0.00170 -0.06993 -0.03937 0.00882 124 7D+1 -0.10257 0.02261 -0.13845 -0.00605 0.03722 125 7D-1 0.16329 0.01178 0.22091 0.04502 0.01085 126 7D+2 -0.06135 -0.03657 -0.10993 0.03772 0.05507 127 7D-2 -0.12814 0.02000 -0.22540 0.04112 -0.04795 128 8D 0 -0.00326 0.00058 -0.02440 -0.01011 0.00203 129 8D+1 -0.03135 0.00812 -0.04125 -0.00169 0.00874 130 8D-1 0.04993 0.00443 0.06596 0.01190 0.00223 131 8D+2 -0.01838 -0.01374 -0.03458 0.01011 0.01586 132 8D-2 -0.03840 0.00739 -0.07067 0.01098 -0.01353 133 7 Cu 1S -0.00342 0.00006 -0.00498 -0.00006 -0.00003 134 2S 0.02185 -0.00024 0.02915 -0.00067 0.00055 135 3S -0.12051 0.00214 -0.17973 -0.00233 -0.00072 136 4PX 0.00444 0.01207 -0.00110 -0.00011 -0.00054 137 4PY -0.00751 0.00739 0.00212 0.00078 -0.00046 138 4PZ 0.01119 0.00026 -0.00321 -0.00075 0.00009 139 5PX -0.02744 -0.03079 -0.01855 0.00027 -0.00166 140 5PY 0.04475 -0.01939 0.02854 -0.00316 0.00011 141 5PZ -0.00985 -0.00100 0.03498 0.00363 -0.00064 142 6PX -0.00758 -0.00363 -0.00932 0.00013 0.00087 143 6PY 0.01195 -0.00247 0.01462 -0.00060 0.00088 144 6PZ 0.00827 -0.00023 0.01152 0.00067 -0.00005 145 7D 0 0.09319 0.00372 -0.11275 -0.05032 0.01476 146 7D+1 0.04801 0.07773 0.16892 0.00945 0.06033 147 7D-1 -0.07832 0.05451 -0.26445 0.02283 0.03174 148 7D+2 0.06645 -0.13140 0.04735 0.02825 -0.00183 149 7D-2 0.13572 0.06240 0.10892 0.03812 -0.01140 150 8D 0 0.02829 0.00115 -0.03568 -0.01444 0.00419 151 8D+1 0.01745 0.02406 0.05614 0.00309 0.01723 152 8D-1 -0.02834 0.01697 -0.08791 0.00584 0.00930 153 8D+2 0.02167 -0.04030 0.01674 0.00792 -0.00168 154 8D-2 0.04435 0.01907 0.03805 0.01090 -0.00249 155 8 C 1S 0.01814 -0.00024 0.02976 0.00018 0.00026 156 2S -0.03683 0.00050 -0.06149 -0.00080 -0.00041 157 3S -0.08594 0.00118 -0.15410 0.00096 -0.00201 158 4PX 0.02739 -0.01522 0.04624 0.00050 0.00448 159 4PY -0.04516 -0.00840 -0.07732 -0.00028 0.00175 160 4PZ -0.00569 -0.00041 0.02027 -0.00087 0.00078 161 5PX 0.00552 0.00595 0.00255 -0.00005 -0.00137 162 5PY -0.00937 0.00368 -0.00461 -0.00062 -0.00069 163 5PZ 0.00849 0.00008 0.00751 0.00156 -0.00045 164 9 O 1S -0.00385 0.00005 -0.00536 0.00004 -0.00007 165 2S 0.01121 -0.00014 0.01408 0.00016 0.00010 166 3S 0.01583 -0.00025 0.02966 -0.00107 0.00065 167 4PX -0.02056 0.02925 -0.03249 -0.00021 -0.00501 168 4PY 0.03393 0.01712 0.05582 0.00030 -0.00237 169 4PZ 0.01208 0.00080 -0.04209 -0.00023 -0.00073 170 5PX -0.00752 0.01361 -0.01333 0.00023 -0.00198 171 5PY 0.01250 0.00802 0.02333 -0.00002 -0.00084 172 5PZ 0.00360 0.00040 -0.02496 -0.00090 -0.00020 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26693 -0.26679 -0.26538 -0.26151 -0.26106 1 1 Cu 1S -0.00030 -0.00051 -0.00123 -0.00054 -0.00140 2 2S 0.01972 0.02246 0.03115 -0.00938 -0.02341 3 3S 0.04978 0.01486 0.00805 -0.03988 -0.09989 4 4PX -0.00175 0.00436 -0.00189 -0.00463 -0.00266 5 4PY -0.00743 -0.00644 -0.00276 0.00221 0.00622 6 4PZ -0.00208 -0.00061 0.00410 0.00016 0.00702 7 5PX 0.01484 -0.03640 0.00427 0.01992 0.00846 8 5PY 0.03935 0.02926 0.00428 -0.01281 -0.03597 9 5PZ 0.01997 0.00599 -0.01646 0.00155 -0.02712 10 6PX 0.00813 -0.01331 0.00240 0.00374 -0.00239 11 6PY 0.00512 -0.00137 -0.00265 -0.00773 -0.02161 12 6PZ 0.00494 -0.00031 -0.00402 0.00277 0.00069 13 7D 0 0.04560 0.19891 -0.02514 -0.06907 -0.27360 14 7D+1 -0.16493 -0.16245 -0.02810 0.17272 0.38731 15 7D-1 -0.03774 0.15761 0.25469 0.02347 0.03869 16 7D+2 0.14746 -0.00121 -0.02163 -0.05105 -0.09541 17 7D-2 -0.30933 0.25944 -0.12534 0.00431 -0.01499 18 8D 0 0.01495 0.06398 -0.00762 -0.02166 -0.08910 19 8D+1 -0.05434 -0.05389 -0.00922 0.05668 0.12572 20 8D-1 -0.01279 0.05092 0.08126 0.00717 0.01221 21 8D+2 0.04631 -0.00143 -0.00635 -0.01683 -0.03055 22 8D-2 -0.10008 0.08411 -0.03971 0.00113 -0.00436 23 2 Cu 1S -0.00068 0.00021 -0.00071 0.00127 0.00080 24 2S 0.02420 -0.00677 0.02213 0.02053 0.01299 25 3S -0.00142 -0.01071 0.00664 0.08781 0.05367 26 4PX 0.00101 0.00007 -0.00413 0.00415 0.00315 27 4PY -0.00618 -0.00130 -0.00025 -0.00641 -0.00160 28 4PZ -0.00335 0.00525 0.00067 -0.00382 -0.00542 29 5PX -0.01701 0.00271 0.01800 -0.01078 -0.00989 30 5PY 0.03785 0.01245 -0.00137 0.03135 0.00946 31 5PZ 0.00940 -0.03437 -0.00961 0.02155 0.02722 32 6PX -0.00921 0.00309 0.00238 0.00861 0.00584 33 6PY 0.00298 0.01024 -0.00059 0.01168 0.00514 34 6PZ -0.00953 -0.00864 -0.00030 0.01236 0.01096 35 7D 0 0.06978 0.36097 0.10980 -0.22204 -0.10884 36 7D+1 -0.02859 0.03629 -0.09076 -0.10873 -0.08803 37 7D-1 0.05776 -0.00274 0.09476 0.05168 0.02032 38 7D+2 0.31665 0.15210 -0.13848 0.29381 0.20730 39 7D-2 -0.10936 0.02374 -0.11451 -0.18389 -0.11251 40 8D 0 0.02193 0.11698 0.03505 -0.07194 -0.03533 41 8D+1 -0.00855 0.01186 -0.02896 -0.03514 -0.02936 42 8D-1 0.02023 -0.00167 0.02928 0.01706 0.00668 43 8D+2 0.10310 0.04844 -0.04372 0.09516 0.06709 44 8D-2 -0.03535 0.00674 -0.03677 -0.06021 -0.03589 45 3 Cu 1S 0.00007 0.00045 -0.00044 -0.00147 0.00006 46 2S -0.00374 -0.02152 0.01767 -0.02346 0.00105 47 3S -0.00221 -0.01291 0.00988 -0.09862 0.00394 48 4PX -0.00499 -0.00147 -0.00152 -0.00455 -0.00214 49 4PY -0.00184 0.00332 0.00344 0.00742 -0.00160 50 4PZ 0.00043 0.00569 -0.00112 0.00501 -0.00051 51 5PX 0.03403 0.01008 0.00948 0.01920 0.00887 52 5PY 0.01219 -0.02537 -0.02021 -0.02904 0.00680 53 5PZ -0.00059 -0.02556 0.00053 -0.03219 0.00264 54 6PX 0.01225 0.00009 -0.00006 0.00190 0.00023 55 6PY 0.00547 -0.00621 -0.00076 0.00082 0.00017 56 6PZ 0.00242 0.00677 0.00355 -0.02256 0.00115 57 7D 0 -0.05343 0.08987 -0.00857 0.21681 -0.00582 58 7D+1 -0.32258 0.02787 -0.10333 -0.06313 0.03122 59 7D-1 -0.17930 0.08808 0.22006 0.13732 0.00984 60 7D+2 0.21841 0.11282 0.03813 0.25336 -0.02347 61 7D-2 -0.05112 0.20636 0.01007 0.34182 -0.00994 62 8D 0 -0.01754 0.02766 -0.00362 0.07034 -0.00199 63 8D+1 -0.10458 0.00905 -0.03246 -0.02028 0.00962 64 8D-1 -0.05789 0.02945 0.06979 0.04415 0.00306 65 8D+2 0.06994 0.03767 0.01241 0.08215 -0.00830 66 8D-2 -0.01569 0.06800 0.00366 0.11096 -0.00265 67 4 Cu 1S 0.00074 0.00001 -0.00081 0.00120 -0.00092 68 2S -0.02559 0.00085 0.02396 0.01946 -0.01498 69 3S -0.00161 -0.01051 0.00575 0.08341 -0.06221 70 4PX -0.00506 0.00158 0.00257 0.00366 -0.00084 71 4PY 0.00358 -0.00250 0.00320 -0.00634 0.00343 72 4PZ 0.00450 0.00408 0.00137 -0.00331 0.00623 73 5PX 0.02143 -0.01206 -0.00754 -0.02316 0.00897 74 5PY -0.03166 0.01851 -0.01347 0.02335 -0.01228 75 5PZ -0.01992 -0.03076 -0.01248 0.01717 -0.03016 76 6PX -0.00641 -0.00675 -0.00008 -0.01585 0.01064 77 6PY -0.00886 0.00727 -0.00257 -0.00098 0.00331 78 6PZ 0.00437 -0.01170 -0.00143 0.00848 -0.01045 79 7D 0 0.03915 0.32987 0.10819 -0.17738 0.09388 80 7D+1 0.02273 -0.13456 -0.09571 0.04463 -0.04950 81 7D-1 -0.12117 -0.02291 0.08707 0.20246 -0.16766 82 7D+2 0.19026 -0.08685 -0.04243 -0.25371 0.19665 83 7D-2 -0.18447 0.23335 -0.18194 0.15852 -0.14201 84 8D 0 0.01368 0.10666 0.03468 -0.05759 0.03023 85 8D+1 0.00876 -0.04368 -0.02992 0.01397 -0.01647 86 8D-1 -0.03998 -0.00787 0.02741 0.06568 -0.05505 87 8D+2 0.06120 -0.02878 -0.01414 -0.08276 0.06321 88 8D-2 -0.06057 0.07482 -0.05768 0.05113 -0.04596 89 5 Cu 1S 0.00014 -0.00059 -0.00128 -0.00040 0.00145 90 2S -0.01305 0.02721 0.03238 -0.00719 0.02412 91 3S -0.04368 0.02953 0.01013 -0.03027 0.10397 92 4PX -0.00626 0.00514 0.00289 0.00120 0.00473 93 4PY 0.00049 -0.00756 -0.00042 0.00460 -0.00556 94 4PZ 0.00075 -0.00101 0.00473 0.00015 -0.00669 95 5PX 0.04060 -0.01849 -0.00476 -0.00378 -0.02895 96 5PY 0.00501 0.04601 0.00008 -0.02178 0.02718 97 5PZ -0.01007 0.01305 -0.01708 0.00140 0.02394 98 6PX 0.01184 0.00481 0.00131 0.00184 -0.01873 99 6PY 0.00664 0.00844 -0.00310 -0.00685 0.01121 100 6PZ -0.00231 0.00328 -0.00448 0.00272 -0.00363 101 7D 0 -0.02788 0.23520 -0.05672 -0.08622 0.39304 102 7D+1 -0.05887 -0.03798 -0.20989 -0.06974 0.15339 103 7D-1 -0.08181 0.20880 0.17378 -0.09783 0.26871 104 7D+2 0.41381 0.14988 -0.06992 0.02445 -0.02941 105 7D-2 0.02370 0.05667 -0.08245 -0.01243 0.02181 106 8D 0 -0.00951 0.07631 -0.01760 -0.02736 0.12771 107 8D+1 -0.01958 -0.01123 -0.06692 -0.02293 0.04935 108 8D-1 -0.02640 0.06837 0.05572 -0.03264 0.08744 109 8D+2 0.13375 0.04907 -0.02231 0.00771 -0.00976 110 8D-2 0.00871 0.01678 -0.02582 -0.00428 0.00650 111 6 Cu 1S 0.00003 0.00056 0.00047 0.00009 -0.00002 112 2S -0.00008 -0.00349 0.01539 -0.00014 -0.00001 113 3S 0.00095 0.02237 -0.01359 -0.00194 0.00027 114 4PX 0.01197 -0.00258 0.00231 -0.00002 -0.00040 115 4PY 0.00753 0.00350 -0.00359 -0.00011 -0.00021 116 4PZ -0.00045 -0.01455 -0.00722 0.00040 -0.00004 117 5PX -0.05959 0.01749 0.01819 0.00069 0.00023 118 5PY -0.03849 -0.02495 -0.02962 -0.00111 0.00056 119 5PZ 0.00210 0.06870 0.00378 -0.00103 0.00001 120 6PX 0.00336 -0.00222 -0.00580 0.00029 0.00086 121 6PY 0.00223 0.00306 0.00958 0.00064 0.00048 122 6PZ 0.00024 0.00144 -0.00250 -0.00085 0.00009 123 7D 0 -0.00117 -0.12682 -0.03067 0.13404 -0.04030 124 7D+1 0.08199 -0.00349 -0.03862 0.00497 -0.16881 125 7D-1 0.05045 -0.00062 0.06111 -0.11612 -0.07036 126 7D+2 -0.09401 -0.04406 -0.03302 -0.09559 -0.08633 127 7D-2 0.03662 -0.09430 -0.06787 -0.11145 0.08990 128 8D 0 -0.00055 -0.04080 -0.01087 0.03930 -0.01176 129 8D+1 0.02535 -0.00044 -0.01237 0.00151 -0.04950 130 8D-1 0.01570 -0.00108 0.01962 -0.03421 -0.02061 131 8D+2 -0.03119 -0.01424 -0.01123 -0.02829 -0.02547 132 8D-2 0.01244 -0.03065 -0.02305 -0.03294 0.02652 133 7 Cu 1S -0.00005 -0.00098 0.00023 0.00000 0.00000 134 2S 0.00012 -0.00099 0.06705 -0.00006 -0.00009 135 3S -0.00182 -0.03683 0.03724 -0.00027 0.00012 136 4PX 0.00718 -0.00319 0.00207 0.00005 -0.00062 137 4PY 0.00466 0.00466 -0.00328 -0.00037 -0.00021 138 4PZ -0.00010 -0.00596 -0.00586 0.00040 -0.00019 139 5PX -0.01400 0.00404 -0.01587 -0.00003 0.00327 140 5PY -0.00864 -0.00563 0.02511 0.00155 0.00111 141 5PZ 0.00028 0.01358 0.03170 -0.00227 0.00101 142 6PX -0.01241 0.00328 -0.00219 -0.00013 0.00100 143 6PY -0.00784 -0.00453 0.00323 0.00022 0.00031 144 6PZ 0.00028 0.01143 0.01293 -0.00060 0.00038 145 7D 0 0.00560 0.10578 0.02760 -0.16235 0.05301 146 7D+1 -0.05139 0.03623 -0.27916 -0.00532 0.20841 147 7D-1 -0.03740 -0.05734 0.44202 0.14040 0.08814 148 7D+2 0.11261 0.06140 -0.14789 0.11385 0.10158 149 7D-2 -0.05123 0.13615 -0.31108 0.13369 -0.10420 150 8D 0 0.00170 0.03434 0.00900 -0.05247 0.01717 151 8D+1 -0.01724 0.01194 -0.08892 -0.00176 0.06756 152 8D-1 -0.01242 -0.01878 0.14081 0.04545 0.02855 153 8D+2 0.03603 0.01984 -0.04708 0.03686 0.03298 154 8D-2 -0.01626 0.04391 -0.09903 0.04327 -0.03383 155 8 C 1S 0.00034 0.00581 0.01287 -0.00008 -0.00004 156 2S -0.00069 -0.01236 -0.02429 0.00048 0.00000 157 3S -0.00191 -0.03089 -0.08323 -0.00151 0.00064 158 4PX -0.01527 0.01082 0.01943 -0.00061 -0.00166 159 4PY -0.01064 -0.01706 -0.03230 -0.00026 -0.00084 160 4PZ 0.00082 0.02174 0.00846 0.00202 -0.00061 161 5PX -0.00144 -0.00053 0.01071 0.00000 0.00068 162 5PY -0.00079 0.00087 -0.01756 0.00030 0.00033 163 5PZ 0.00011 0.00453 -0.00016 -0.00096 0.00022 164 9 O 1S -0.00006 -0.00110 -0.00185 0.00002 0.00000 165 2S 0.00013 0.00248 0.00601 -0.00036 0.00006 166 3S 0.00047 0.00738 0.00536 0.00093 -0.00028 167 4PX 0.02387 -0.00772 -0.01275 0.00096 0.00276 168 4PY 0.01539 0.01146 0.02165 0.00050 0.00155 169 4PZ -0.00117 -0.03346 -0.01823 -0.00342 0.00102 170 5PX 0.01275 -0.00319 -0.00641 0.00006 0.00085 171 5PY 0.00812 0.00464 0.01089 0.00055 0.00035 172 5PZ -0.00066 -0.01901 -0.00988 -0.00084 0.00033 66 67 68 69 70 O O O O O EIGENVALUES -- -0.25947 -0.25930 -0.25926 -0.25303 -0.25290 1 1 Cu 1S -0.00012 0.00031 0.00011 -0.00048 -0.00004 2 2S 0.00648 -0.01220 -0.00666 -0.00484 0.00193 3 3S 0.00303 0.00306 -0.00350 -0.03142 0.00070 4 4PX 0.00374 0.00419 -0.00605 -0.00913 -0.00994 5 4PY -0.00181 0.00420 0.00227 -0.00289 -0.00065 6 4PZ 0.00185 0.00415 -0.00274 -0.00717 -0.00645 7 5PX -0.01994 -0.01522 0.03023 0.03059 0.05180 8 5PY 0.01178 -0.02454 -0.01412 0.01158 0.00298 9 5PZ -0.00561 -0.02650 0.00931 0.02790 0.03398 10 6PX -0.00686 -0.00547 0.01225 0.00149 0.04632 11 6PY 0.00699 -0.01239 -0.00772 -0.00374 0.00181 12 6PZ -0.00074 -0.01207 0.00360 0.00613 0.03102 13 7D 0 0.17888 -0.23587 0.19220 0.07318 0.22558 14 7D+1 0.02715 -0.04677 0.15012 0.12663 0.11602 15 7D-1 0.18773 -0.01804 0.03319 -0.07662 -0.15939 16 7D+2 0.02680 -0.14973 -0.29231 0.12956 -0.10709 17 7D-2 0.20512 0.09524 0.08841 -0.07026 -0.26026 18 8D 0 0.05670 -0.07725 0.06096 0.02383 0.07445 19 8D+1 0.00876 -0.01657 0.04742 0.04121 0.03823 20 8D-1 0.05966 -0.00531 0.00985 -0.02459 -0.05257 21 8D+2 0.01081 -0.05023 -0.09495 0.04182 -0.03540 22 8D-2 0.06553 0.03068 0.02681 -0.02272 -0.08579 23 2 Cu 1S -0.00026 -0.00005 0.00033 0.00115 -0.00006 24 2S 0.00672 0.00269 -0.00871 0.01156 0.00278 25 3S -0.00886 0.00125 0.01016 0.07333 0.00207 26 4PX -0.00014 -0.00060 -0.00017 -0.00041 0.00057 27 4PY 0.00078 -0.00796 0.00114 0.00021 0.00803 28 4PZ -0.00381 0.00623 0.00434 0.00824 -0.00868 29 5PX -0.00351 0.00186 0.00598 0.00714 -0.00381 30 5PY 0.00052 0.03993 -0.01037 -0.00491 -0.04114 31 5PZ 0.02123 -0.02642 -0.02537 -0.03121 0.04382 32 6PX -0.00284 0.00092 0.00343 0.01321 -0.00453 33 6PY 0.00047 0.01667 -0.00530 0.00328 -0.03722 34 6PZ 0.01071 -0.00865 -0.01134 0.00282 0.03891 35 7D 0 0.20504 0.03681 0.20248 -0.00965 -0.18157 36 7D+1 -0.25987 0.12243 0.08508 0.08371 -0.24138 37 7D-1 -0.08109 -0.07978 0.18180 0.38717 0.02224 38 7D+2 0.17569 0.01734 0.07631 0.05379 -0.05133 39 7D-2 0.06136 -0.22915 0.12060 -0.01415 0.24695 40 8D 0 0.06426 0.01240 0.06401 -0.00349 -0.05982 41 8D+1 -0.08354 0.03996 0.02864 0.02716 -0.07964 42 8D-1 -0.02816 -0.02686 0.06077 0.12484 0.00744 43 8D+2 0.05553 0.00579 0.02377 0.01774 -0.01679 44 8D-2 0.01937 -0.07456 0.03841 -0.00454 0.08147 45 3 Cu 1S 0.00005 -0.00042 -0.00001 -0.00138 0.00001 46 2S -0.00101 0.00896 0.00021 -0.01377 -0.00026 47 3S 0.00244 -0.01830 -0.00054 -0.08655 0.00009 48 4PX 0.00638 0.00196 -0.00753 0.00146 0.01006 49 4PY 0.00351 -0.00133 -0.00400 -0.00265 0.00530 50 4PZ 0.00110 -0.00370 -0.00094 -0.00596 0.00124 51 5PX -0.02886 -0.01426 0.03555 -0.00915 -0.05113 52 5PY -0.01715 0.01487 0.01902 0.01633 -0.02704 53 5PZ -0.00555 0.02291 0.00433 0.02194 -0.00621 54 6PX -0.01190 -0.00694 0.01371 -0.00452 -0.04663 55 6PY -0.00748 0.00847 0.00733 0.01081 -0.02471 56 6PZ -0.00228 0.00993 0.00154 -0.01169 -0.00542 57 7D 0 0.01586 -0.29799 -0.04697 -0.32253 0.05800 58 7D+1 -0.04359 0.05397 -0.22165 0.12557 0.28497 59 7D-1 -0.06889 0.00399 -0.11620 -0.05312 0.12560 60 7D+2 0.32940 0.04020 0.00653 0.15595 0.15755 61 7D-2 -0.22110 -0.00222 0.02957 0.24866 -0.14821 62 8D 0 0.00572 -0.09830 -0.01512 -0.10377 0.01910 63 8D+1 -0.01243 0.01855 -0.07142 0.04021 0.09393 64 8D-1 -0.02107 0.00077 -0.03722 -0.01659 0.04137 65 8D+2 0.10479 0.01365 0.00067 0.05045 0.05208 66 8D-2 -0.07078 0.00075 0.01050 0.08032 -0.04893 67 4 Cu 1S 0.00025 0.00002 -0.00032 0.00105 0.00005 68 2S -0.00775 0.00163 0.00934 0.01043 -0.00306 69 3S 0.00649 0.00478 -0.00840 0.06684 -0.00275 70 4PX -0.00132 0.00551 0.00175 -0.00052 0.00531 71 4PY -0.00003 -0.00468 -0.00036 -0.00102 -0.00495 72 4PZ 0.00238 0.00733 -0.00417 0.00894 0.00932 73 5PX 0.00830 -0.02774 -0.01035 0.00255 -0.02790 74 5PY -0.00563 0.02277 0.00840 -0.00268 0.02475 75 5PZ -0.01531 -0.03248 0.02502 -0.03429 -0.04756 76 6PX 0.00354 -0.01232 -0.00493 -0.01012 -0.02583 77 6PY -0.00318 0.00874 0.00460 -0.00782 0.02137 78 6PZ -0.00901 -0.01154 0.01141 -0.00090 -0.04270 79 7D 0 -0.28927 -0.05519 -0.14081 -0.08097 0.09270 80 7D+1 -0.13062 -0.08094 0.22061 -0.32969 -0.20692 81 7D-1 -0.13515 -0.15906 -0.01186 0.14402 -0.21800 82 7D+2 0.07121 -0.22013 -0.12875 0.03474 -0.24143 83 7D-2 -0.12901 -0.06355 -0.13467 0.05083 0.01226 84 8D 0 -0.09191 -0.01701 -0.04343 -0.02651 0.03052 85 8D+1 -0.04411 -0.02611 0.07317 -0.10636 -0.06819 86 8D-1 -0.04215 -0.05207 -0.00415 0.04643 -0.07198 87 8D+2 0.02357 -0.07176 -0.04183 0.01107 -0.07961 88 8D-2 -0.04051 -0.02020 -0.04267 0.01674 0.00393 89 5 Cu 1S 0.00006 0.00030 -0.00012 -0.00032 0.00004 90 2S -0.00424 -0.01372 0.00714 -0.00324 -0.00148 91 3S -0.00306 -0.00112 0.00350 -0.02130 -0.00025 92 4PX 0.00201 -0.00630 -0.00184 0.00842 -0.00722 93 4PY 0.00447 -0.00048 -0.00641 0.00738 -0.00846 94 4PZ -0.00178 0.00261 0.00182 -0.00508 0.00451 95 5PX -0.00821 0.03279 0.00634 -0.03034 0.03736 96 5PY -0.02340 -0.00406 0.03332 -0.02476 0.04431 97 5PZ 0.00650 -0.01977 -0.00488 0.01982 -0.02384 98 6PX -0.00108 0.01582 0.00099 0.00008 0.03266 99 6PY -0.00922 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-0.11913 0.10013 0.02103 -0.17725 0.02132 30 5PY 0.06997 0.13763 -0.03522 -0.01840 -0.08033 31 5PZ -0.06301 -0.07590 0.16183 -0.05092 -0.09161 32 6PX -0.11513 0.04262 -0.02839 -0.09195 0.01109 33 6PY 0.09280 0.04993 0.07403 -0.02026 -0.11135 34 6PZ 0.03239 0.00174 0.09119 -0.01325 -0.10517 35 7D 0 -0.01957 -0.00584 -0.03578 -0.01935 -0.06236 36 7D+1 0.00387 0.01849 -0.01855 0.01504 0.02934 37 7D-1 -0.01256 0.02550 0.01953 0.03705 -0.00561 38 7D+2 0.01118 0.00739 0.01621 0.07294 -0.04039 39 7D-2 -0.02945 -0.02277 -0.01179 0.01710 0.00880 40 8D 0 -0.00673 -0.00073 -0.01030 -0.00641 -0.01621 41 8D+1 0.00091 0.00382 -0.00681 0.00391 0.00688 42 8D-1 -0.00375 0.00698 0.00517 0.00937 0.00075 43 8D+2 0.00528 0.00059 0.00409 0.02240 -0.01118 44 8D-2 -0.00929 -0.00704 -0.00559 0.00480 0.00375 45 3 Cu 1S -0.00200 0.01067 0.00065 0.00949 0.00276 46 2S -0.04962 0.28307 0.02084 0.08606 -0.01401 47 3S -0.04449 0.22826 0.01388 0.23757 0.09072 48 4PX 0.03849 0.01364 -0.04247 0.02189 -0.02485 49 4PY 0.02627 -0.00841 -0.02180 -0.04817 0.03282 50 4PZ 0.00161 0.03036 -0.00230 0.03161 0.06068 51 5PX -0.14439 -0.06130 0.13405 -0.06562 0.10203 52 5PY -0.10106 0.06593 0.07333 0.14765 -0.14350 53 5PZ 0.00332 -0.15771 0.00345 -0.11803 -0.23631 54 6PX 0.01396 -0.01066 0.06179 -0.04826 0.10798 55 6PY -0.01719 0.02882 0.02296 0.10312 -0.14123 56 6PZ 0.00501 -0.08877 -0.00588 -0.04140 -0.28326 57 7D 0 0.01086 -0.00554 0.00014 0.02141 0.02632 58 7D+1 0.03103 0.01225 -0.00148 0.01568 -0.00803 59 7D-1 0.02147 -0.00124 0.00478 -0.05166 -0.00753 60 7D+2 -0.02103 0.01712 -0.03557 -0.04718 0.00887 61 7D-2 0.00818 0.02478 0.03088 -0.05510 0.00385 62 8D 0 0.00299 -0.00017 0.00022 0.00403 0.01096 63 8D+1 0.00815 0.00457 -0.00064 0.00527 -0.00411 64 8D-1 0.00637 -0.00318 0.00095 -0.01573 0.00012 65 8D+2 -0.00686 0.00413 -0.01038 -0.01422 0.00275 66 8D-2 0.00336 0.00681 0.00902 -0.01652 0.00142 67 4 Cu 1S -0.00597 -0.00916 0.00129 0.00840 0.00058 68 2S -0.11860 -0.25238 0.06855 0.07422 -0.01865 69 3S -0.13699 -0.20625 0.01954 0.20553 0.06383 70 4PX -0.01733 0.03059 0.00749 -0.03588 -0.01597 71 4PY 0.04222 0.00543 -0.00542 -0.04078 0.00517 72 4PZ -0.01737 0.02076 0.05115 0.00300 0.00931 73 5PX 0.03711 -0.14987 -0.01381 0.12168 0.03564 74 5PY -0.14277 -0.04742 0.04214 0.13100 -0.02883 75 5PZ 0.07305 -0.05837 -0.17066 -0.02109 -0.05361 76 6PX 0.03699 -0.06589 0.04600 0.07238 0.06230 77 6PY -0.13464 -0.03730 -0.05992 0.05420 -0.03496 78 6PZ -0.04755 -0.00794 -0.09244 -0.00102 -0.05783 79 7D 0 0.01584 -0.01615 0.02521 -0.02392 -0.07125 80 7D+1 0.00144 -0.03199 -0.00742 -0.02616 0.01487 81 7D-1 -0.00252 0.00983 -0.03720 0.02487 -0.02636 82 7D+2 0.03910 -0.00939 0.01151 0.00025 0.01883 83 7D-2 -0.00548 0.00192 -0.00801 0.07351 -0.03064 84 8D 0 0.00509 -0.00299 0.00712 -0.00728 -0.01880 85 8D+1 -0.00038 -0.00867 -0.00284 -0.00614 0.00333 86 8D-1 -0.00175 0.00324 -0.01150 0.00702 -0.00505 87 8D+2 0.01281 -0.00258 0.00523 -0.00062 0.00632 88 8D-2 -0.00268 -0.00192 -0.00127 0.02231 -0.00793 89 5 Cu 1S 0.00379 0.00560 -0.00886 0.00621 -0.00272 90 2S 0.12780 0.14614 -0.22587 0.03946 -0.03408 91 3S 0.05900 0.12661 -0.21859 0.12629 -0.06413 92 4PX -0.02561 0.02353 0.02653 -0.03711 0.03118 93 4PY -0.00024 0.04438 0.02095 0.01278 -0.03987 94 4PZ 0.00740 -0.03619 0.01414 -0.02793 -0.02566 95 5PX 0.10869 -0.05708 -0.12634 0.13016 -0.12946 96 5PY -0.01218 -0.16102 -0.06287 -0.04549 0.16539 97 5PZ 0.00909 0.14432 -0.06802 0.09271 0.08171 98 6PX 0.06808 0.01103 -0.03656 0.06003 -0.17454 99 6PY -0.00318 -0.03665 0.00242 -0.03254 0.22291 100 6PZ -0.02448 0.04661 -0.06905 0.03387 0.11532 101 7D 0 -0.04082 0.01281 -0.01402 0.02362 -0.00495 102 7D+1 0.01523 -0.00219 0.01716 0.05146 0.03315 103 7D-1 -0.01142 -0.02095 0.00198 -0.00781 -0.01784 104 7D+2 -0.02026 -0.01845 -0.02504 0.03598 -0.03028 105 7D-2 0.02223 -0.00328 -0.01852 -0.03340 0.02232 106 8D 0 -0.01265 0.00374 -0.00612 0.00665 0.00195 107 8D+1 0.00548 0.00099 0.00281 0.01507 0.00879 108 8D-1 -0.00363 -0.00613 0.00132 -0.00308 -0.00269 109 8D+2 -0.00488 -0.00495 -0.00791 0.01049 -0.00893 110 8D-2 0.00561 -0.00070 -0.00536 -0.00926 0.00634 111 6 Cu 1S 0.00003 -0.00076 0.00001 -0.00327 0.00369 112 2S 0.00117 -0.01804 0.00048 -0.19419 0.06202 113 3S -0.00010 0.01331 -0.00010 -0.01703 0.04363 114 4PX -0.04009 -0.00105 -0.03394 -0.02878 -0.00131 115 4PY -0.02430 -0.00651 -0.02033 0.04714 0.00029 116 4PZ -0.00145 0.00532 -0.00132 0.00405 0.03961 117 5PX 0.17672 0.00321 0.15170 0.09238 -0.01068 118 5PY 0.10680 0.03088 0.09063 -0.15305 0.02420 119 5PZ 0.00616 -0.02175 0.00597 0.02685 -0.13811 120 6PX -0.11221 -0.00495 -0.07944 0.01320 0.02091 121 6PY -0.06741 -0.01220 -0.04820 -0.02041 -0.04281 122 6PZ -0.00325 -0.00274 -0.00165 -0.02942 0.17430 123 7D 0 0.00318 -0.07603 0.01007 0.06021 0.03433 124 7D+1 0.01036 -0.01334 0.10561 -0.02721 -0.01336 125 7D-1 0.00975 0.04749 0.06194 0.04123 0.02057 126 7D+2 -0.15188 0.01770 -0.05491 0.01414 0.01251 127 7D-2 0.07694 0.05102 0.02023 0.02546 0.02309 128 8D 0 0.00076 -0.01805 0.00243 0.01498 0.00339 129 8D+1 0.00214 -0.00346 0.02518 -0.00441 -0.00188 130 8D-1 0.00198 0.01169 0.01461 0.00656 0.00306 131 8D+2 -0.03314 0.00465 -0.01038 0.00428 0.00159 132 8D-2 0.01672 0.01230 0.00335 0.00805 0.00290 133 7 Cu 1S 0.00001 -0.00048 0.00002 0.00145 0.00294 134 2S 0.00093 -0.02080 0.00091 -0.12754 0.01655 135 3S -0.00079 0.00594 -0.00033 0.18973 0.01550 136 4PX 0.02109 0.00051 0.01900 0.02021 -0.01113 137 4PY 0.01280 0.00382 0.01134 -0.03277 0.02165 138 4PZ 0.00083 -0.00396 0.00078 -0.01042 -0.07291 139 5PX -0.07918 0.00127 -0.07077 -0.03237 0.02890 140 5PY -0.04747 -0.01924 -0.04197 0.05405 -0.06059 141 5PZ -0.00278 0.00988 -0.00262 -0.01730 0.28366 142 6PX 0.11447 0.00838 0.08787 0.00644 -0.05570 143 6PY 0.06979 0.00781 0.05366 -0.01266 0.08883 144 6PZ 0.00288 -0.00634 0.00241 0.03328 0.04122 145 7D 0 -0.00050 -0.07170 0.00843 0.00798 -0.01064 146 7D+1 -0.05311 -0.02601 0.07364 -0.03770 0.00487 147 7D-1 -0.03328 0.05998 0.03798 0.05898 -0.00746 148 7D+2 -0.04689 0.04191 0.04595 -0.01998 -0.00280 149 7D-2 0.02357 0.07211 -0.03270 -0.04167 -0.00495 150 8D 0 -0.00006 -0.02025 0.00245 0.00334 -0.00292 151 8D+1 -0.01368 -0.00720 0.02181 -0.01165 0.00144 152 8D-1 -0.00857 0.01688 0.01135 0.01822 -0.00221 153 8D+2 -0.01438 0.01172 0.01213 -0.00595 -0.00090 154 8D-2 0.00721 0.02042 -0.00887 -0.01245 -0.00162 155 8 C 1S 0.00003 -0.00043 0.00000 -0.00851 0.00546 156 2S -0.00003 0.00008 0.00008 0.01972 -0.00996 157 3S -0.00023 0.00791 -0.00032 0.01608 -0.05170 158 4PX 0.36324 0.02789 0.29867 -0.00003 0.01476 159 4PY 0.22001 0.02729 0.18091 -0.00915 -0.03791 160 4PZ 0.01354 -0.06611 0.01163 0.21976 0.30451 161 5PX 0.20709 0.01718 0.16582 0.00762 -0.01367 162 5PY 0.12542 0.01284 0.10067 -0.01766 0.01307 163 5PZ 0.00773 -0.03476 0.00614 0.12517 0.21032 164 9 O 1S -0.00003 0.00069 -0.00004 0.00431 -0.00924 165 2S 0.00009 -0.00162 0.00008 -0.01391 0.02338 166 3S 0.00014 -0.00542 0.00029 -0.01580 0.06879 167 4PX -0.26887 -0.02066 -0.21375 0.00255 -0.01598 168 4PY -0.16288 -0.01885 -0.12955 0.00250 0.03325 169 4PZ -0.00979 0.04099 -0.00785 -0.16044 -0.15407 170 5PX -0.19565 -0.01527 -0.15768 -0.00159 -0.00811 171 5PY -0.11853 -0.01382 -0.09557 0.00760 0.01976 172 5PZ -0.00723 0.03285 -0.00593 -0.11940 -0.14154 81 82 83 84 85 V V V V V EIGENVALUES -- -0.02215 -0.00470 -0.00330 0.00387 0.01112 1 1 Cu 1S 0.00320 0.00214 -0.00197 -0.00328 -0.00290 2 2S 0.01214 -0.09328 0.06785 -0.04620 -0.02916 3 3S 0.11581 -0.18748 0.27192 0.32761 -0.09408 4 4PX -0.01365 0.02641 -0.00622 -0.02119 -0.06367 5 4PY 0.04249 0.03549 -0.01760 0.01426 -0.01218 6 4PZ 0.01368 -0.02081 0.03748 0.02426 -0.03201 7 5PX 0.03527 -0.06382 0.10534 0.10603 0.26210 8 5PY -0.16866 -0.16139 0.11042 -0.02674 0.06787 9 5PZ -0.07339 0.13829 -0.14451 -0.16265 0.11335 10 6PX 0.06935 -0.18362 0.18062 0.13100 0.46560 11 6PY -0.24392 -0.33028 0.20497 -0.16693 0.15628 12 6PZ -0.06267 0.29011 -0.29346 -0.15573 0.16064 13 7D 0 -0.02752 -0.03469 -0.04054 0.00988 -0.00556 14 7D+1 -0.01319 -0.00523 -0.02059 0.02353 -0.02237 15 7D-1 -0.02434 0.01471 0.00397 -0.02403 -0.00211 16 7D+2 0.00450 0.01646 0.01692 0.00828 -0.01302 17 7D-2 -0.05239 0.02662 0.03012 0.01479 0.00996 18 8D 0 -0.00700 -0.01095 -0.01301 0.00142 0.00085 19 8D+1 -0.00187 -0.00455 -0.00556 0.00432 -0.00336 20 8D-1 -0.00715 0.00673 0.00151 -0.00483 -0.00297 21 8D+2 -0.00124 0.00387 0.00496 -0.00202 -0.00377 22 8D-2 -0.01442 0.00814 0.01146 0.00146 -0.00026 23 2 Cu 1S 0.00404 -0.00263 -0.00296 -0.00324 0.00725 24 2S 0.00870 0.00383 0.09093 -0.08826 0.07477 25 3S 0.09709 0.14647 0.37336 0.08734 0.26370 26 4PX -0.00410 -0.02465 -0.05452 -0.00878 0.02527 27 4PY 0.04697 -0.00966 0.00344 0.01892 -0.02100 28 4PZ 0.04422 0.01293 -0.01242 0.00944 0.04312 29 5PX 0.01272 0.13960 0.29229 0.07752 -0.15866 30 5PY -0.20486 -0.00842 0.02314 -0.06257 0.06825 31 5PZ -0.17612 0.02855 0.03985 -0.05421 -0.19592 32 6PX -0.03004 0.21416 0.55599 -0.09997 -0.40202 33 6PY -0.22071 0.01005 0.07468 -0.16468 0.07650 34 6PZ -0.20574 0.02853 0.12667 -0.12947 -0.39009 35 7D 0 0.03058 0.02203 -0.01060 0.00525 0.01887 36 7D+1 -0.00326 0.06206 -0.00945 -0.00087 -0.02124 37 7D-1 0.02526 -0.01571 0.00211 -0.03262 -0.04999 38 7D+2 0.00942 0.00663 0.01118 0.00479 -0.03518 39 7D-2 0.00015 -0.02571 0.02996 0.02727 0.00154 40 8D 0 0.00926 0.00799 -0.00362 0.00055 0.00556 41 8D+1 0.00085 0.01965 -0.00256 -0.00137 -0.00417 42 8D-1 0.00863 -0.00266 -0.00005 -0.00303 -0.00970 43 8D+2 0.00038 0.00264 0.00265 -0.00027 -0.00799 44 8D-2 0.00068 -0.00959 0.01036 0.00678 -0.00229 45 3 Cu 1S -0.00043 -0.00513 0.00031 -0.00298 -0.00890 46 2S -0.00064 0.05609 -0.01014 -0.10714 -0.09513 47 3S -0.00924 0.33220 -0.04136 -0.03568 -0.33713 48 4PX 0.00012 -0.01726 0.02091 -0.00618 -0.00868 49 4PY -0.00419 0.04473 0.00546 0.00697 0.02181 50 4PZ -0.00625 -0.03387 0.00554 0.01546 -0.03125 51 5PX -0.03449 0.09980 -0.00454 0.03128 0.05159 52 5PY -0.00058 -0.23345 0.02673 -0.04745 -0.13336 53 5PZ 0.02279 0.20720 -0.01767 -0.05687 0.18801 54 6PX -0.00213 0.15763 -0.02528 -0.02663 0.11864 55 6PY 0.01058 -0.38745 0.03755 0.11605 -0.32047 56 6PZ 0.02968 0.39674 -0.04314 -0.26755 0.46589 57 7D 0 -0.01419 0.01449 0.00704 -0.00994 0.04470 58 7D+1 -0.05615 0.01967 0.04029 0.01425 -0.00386 59 7D-1 -0.03692 -0.02780 0.01619 -0.01664 -0.02471 60 7D+2 0.04271 0.01111 0.04680 0.01549 -0.03774 61 7D-2 -0.01926 0.01366 -0.03716 0.03016 -0.05186 62 8D 0 -0.00431 0.00524 0.00261 0.00014 0.00982 63 8D+1 -0.01600 0.00547 0.01459 0.00101 0.00024 64 8D-1 -0.01030 -0.00758 0.00624 -0.00143 -0.00736 65 8D+2 0.00906 0.00281 0.01377 0.00240 -0.00798 66 8D-2 -0.00354 0.00303 -0.01149 0.00479 -0.01048 67 4 Cu 1S -0.00440 -0.00183 0.00312 -0.00327 0.00717 68 2S -0.01054 -0.01184 -0.09726 -0.08128 0.07406 69 3S -0.11007 0.09156 -0.39338 0.12962 0.26224 70 4PX 0.04765 0.01147 -0.03319 -0.01177 -0.00363 71 4PY -0.02746 0.00508 -0.04895 0.01985 -0.03690 72 4PZ -0.04146 0.01927 -0.00061 0.00953 0.04039 73 5PX -0.20185 -0.03202 0.19725 0.01145 0.06222 74 5PY 0.11383 -0.08150 0.24361 -0.10951 0.18670 75 5PZ 0.16820 0.00183 0.01433 -0.06470 -0.17226 76 6PX -0.25474 -0.04562 0.41143 0.19678 0.21671 77 6PY 0.09332 -0.09622 0.45386 -0.03803 0.40875 78 6PZ 0.18942 -0.02101 -0.01260 -0.10062 -0.32216 79 7D 0 -0.01224 0.00485 0.00748 0.01087 0.03123 80 7D+1 0.02475 -0.03320 -0.00532 0.02999 0.04298 81 7D-1 -0.01275 -0.05957 -0.00309 -0.01711 -0.02150 82 7D+2 -0.00524 -0.03117 -0.01520 0.01690 0.00383 83 7D-2 0.00000 0.00717 -0.01744 0.01630 -0.03348 84 8D 0 -0.00358 0.00202 0.00219 0.00147 0.00774 85 8D+1 0.00902 -0.01305 -0.00216 0.00430 0.00720 86 8D-1 -0.00276 -0.01751 0.00008 -0.00072 -0.00466 87 8D+2 -0.00365 -0.01099 -0.00584 0.00590 -0.00124 88 8D-2 0.00114 0.00227 -0.00537 0.00240 -0.00839 89 5 Cu 1S -0.00243 0.00261 0.00146 -0.00328 -0.00274 90 2S -0.00970 -0.10336 -0.05232 -0.04158 -0.02755 91 3S -0.09344 -0.22140 -0.20834 0.35282 -0.09054 92 4PX 0.02223 -0.04196 -0.00481 -0.00474 0.05036 93 4PY -0.02599 0.00308 0.01077 0.02284 0.04866 94 4PZ -0.00867 -0.03502 -0.03213 0.02813 -0.01904 95 5PX -0.10356 0.16569 0.09528 -0.01021 -0.21733 96 5PY 0.08264 -0.05361 0.00983 -0.08809 -0.18867 97 5PZ 0.05064 0.18810 0.12758 -0.18453 0.05959 98 6PX -0.13405 0.35346 0.15411 0.08619 -0.40358 99 6PY 0.14587 -0.06723 -0.00008 -0.18686 -0.30789 100 6PZ 0.04044 0.40177 0.26055 -0.18240 0.06334 101 7D 0 0.01960 -0.02604 0.03582 0.00488 0.00173 102 7D+1 -0.02843 0.00368 -0.02620 0.00898 0.01546 103 7D-1 -0.00120 0.01547 -0.03408 -0.03027 0.01393 104 7D+2 0.06367 0.01485 -0.02216 0.00656 0.01253 105 7D-2 0.01431 0.01706 -0.02420 0.01922 -0.01201 106 8D 0 0.00482 -0.00751 0.01171 0.00023 0.00219 107 8D+1 -0.00693 0.00088 -0.00797 0.00198 0.00339 108 8D-1 0.00187 0.00806 -0.01037 -0.00624 0.00000 109 8D+2 0.01683 0.00502 -0.00911 0.00148 0.00038 110 8D-2 0.00559 0.00335 -0.00817 -0.00002 -0.00393 111 6 Cu 1S 0.00000 0.00367 0.00002 0.00332 0.00014 112 2S 0.00007 0.06821 0.00051 0.07892 0.00187 113 3S 0.00020 0.14502 -0.00092 -0.16883 0.00958 114 4PX 0.01750 0.00941 0.04322 0.00197 0.00000 115 4PY 0.01057 -0.01792 0.02616 -0.00279 0.00006 116 4PZ 0.00047 0.04639 0.00124 -0.01260 -0.00028 117 5PX -0.05358 -0.00564 -0.05873 -0.02919 0.00068 118 5PY -0.03222 0.01438 -0.03613 0.04720 -0.00424 119 5PZ -0.00121 -0.09711 -0.00193 0.01526 0.00446 120 6PX 0.13282 0.02525 0.19089 0.21475 -0.00171 121 6PY 0.08037 -0.04805 0.11495 -0.33033 0.00199 122 6PZ 0.00372 0.10746 0.00482 -0.52719 0.00185 123 7D 0 0.00105 0.06688 0.00246 -0.03945 -0.01907 124 7D+1 0.01946 -0.02866 0.04831 -0.03458 -0.00243 125 7D-1 0.01357 0.04276 0.03226 0.05581 0.01733 126 7D+2 -0.04768 0.01299 -0.08238 -0.03782 0.01403 127 7D-2 0.02382 0.02186 0.04111 -0.07677 0.01702 128 8D 0 0.00010 0.01956 0.00068 -0.00986 -0.00764 129 8D+1 0.00109 -0.00883 0.01322 -0.00762 -0.00093 130 8D-1 0.00086 0.01325 0.00881 0.01231 0.00685 131 8D+2 -0.00470 0.00353 -0.02195 -0.00882 0.00542 132 8D-2 0.00231 0.00581 0.01093 -0.01785 0.00660 133 7 Cu 1S 0.00001 0.00357 0.00003 0.00901 0.00004 134 2S 0.00017 0.01503 0.00013 0.09447 -0.00075 135 3S -0.00012 0.09023 0.00233 0.80583 -0.00201 136 4PX -0.06588 0.02318 0.02516 0.02303 0.00009 137 4PY -0.04007 -0.03891 0.01503 -0.03644 0.00002 138 4PZ -0.00183 0.01563 0.00067 -0.03185 -0.00059 139 5PX 0.23599 -0.07396 0.00775 -0.13863 -0.00107 140 5PY 0.14366 0.11890 0.00553 0.22099 0.00168 141 5PZ 0.00668 0.05403 0.00062 0.13953 0.00125 142 6PX 0.03998 -0.13129 0.02362 -0.38469 -0.00411 143 6PY 0.02511 0.20773 0.01710 0.61066 0.00487 144 6PZ 0.00046 0.15092 0.00102 0.48882 0.00763 145 7D 0 -0.00022 -0.06205 -0.00221 0.01736 -0.02186 146 7D+1 -0.00271 0.02215 -0.04071 0.02962 -0.00249 147 7D-1 -0.00188 -0.03248 -0.02667 -0.04756 0.02072 148 7D+2 0.00750 -0.01148 0.05835 0.02376 0.01803 149 7D-2 -0.00374 -0.01959 -0.02887 0.04902 0.02221 150 8D 0 -0.00002 -0.02196 -0.00076 0.00615 -0.00920 151 8D+1 -0.00008 0.00680 -0.01410 0.00719 -0.00107 152 8D-1 -0.00012 -0.00987 -0.00923 -0.01162 0.00866 153 8D+2 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0.00114 86 87 88 89 90 V V V V V EIGENVALUES -- 0.01124 0.02061 0.03300 0.04210 0.04222 1 1 Cu 1S -0.00849 0.00018 0.00061 0.00025 -0.00030 2 2S -0.09014 0.01591 -0.06440 0.06762 -0.16975 3 3S -0.32951 0.18236 -0.44528 0.88453 -2.26606 4 4PX 0.00652 -0.01010 -0.00538 -0.01366 -0.00842 5 4PY -0.02611 0.01617 -0.02683 -0.00122 -0.00342 6 4PZ 0.03539 0.01067 0.01056 -0.01132 -0.00045 7 5PX -0.00018 0.01258 -0.00571 0.03564 -0.02982 8 5PY 0.15841 0.00674 0.06324 0.04680 -0.08586 9 5PZ -0.18244 -0.02856 0.00601 -0.00981 0.07591 10 6PX 0.06649 0.07077 -0.38340 -0.25872 -0.48196 11 6PY 0.39613 -0.00938 -0.43782 0.37167 -0.91578 12 6PZ -0.39777 -0.03094 0.57258 -0.46298 0.46217 13 7D 0 0.00350 -0.02671 -0.00616 0.01886 0.01087 14 7D+1 -0.05833 0.02203 0.03241 0.01795 -0.01195 15 7D-1 -0.02157 0.00037 0.03766 -0.02268 0.00817 16 7D+2 -0.04773 -0.03901 0.02134 -0.00841 -0.01202 17 7D-2 0.00381 -0.00145 -0.02225 -0.02403 -0.02173 18 8D 0 -0.00001 -0.00900 -0.00092 0.00583 0.00309 19 8D+1 -0.01245 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0.04209 -0.01364 0.01430 60 7D+2 0.00699 0.02399 0.01927 0.01109 0.01820 61 7D-2 -0.00524 0.03505 0.01991 0.02110 -0.01581 62 8D 0 -0.00027 0.01455 -0.01002 0.00015 0.00201 63 8D+1 -0.00112 -0.00283 -0.00377 0.00575 0.00965 64 8D-1 -0.00052 0.00203 0.01357 -0.00995 0.00363 65 8D+2 -0.00009 0.00662 0.00719 0.00381 0.00544 66 8D-2 0.00045 0.00954 0.00791 0.00832 -0.00459 67 4 Cu 1S -0.00533 -0.00088 0.00065 -0.00031 -0.00020 68 2S -0.06012 -0.01834 -0.06129 -0.13872 -0.11046 69 3S -0.22755 -0.09427 -0.41618 -1.82650 -1.48259 70 4PX 0.04563 -0.00953 0.02573 0.00804 -0.00498 71 4PY -0.00974 0.01094 0.01072 -0.00015 0.00894 72 4PZ 0.04402 0.00547 -0.00894 0.00950 -0.01269 73 5PX -0.21722 -0.00792 -0.05494 0.06374 0.07187 74 5PY 0.01210 0.00751 0.00431 0.05653 0.03722 75 5PZ -0.16991 0.01123 0.03559 -0.02944 0.00997 76 6PX -0.45567 -0.01384 0.54280 0.91871 0.45753 77 6PY -0.03353 0.12465 0.58152 0.32261 0.51118 78 6PZ -0.27042 0.12980 -0.05406 0.02024 -0.48585 79 7D 0 -0.02736 0.01384 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4PX 0.00443 -0.01771 -0.00326 0.00130 -0.00264 159 4PY 0.00262 0.03577 0.00445 -0.00029 -0.00184 160 4PZ 0.00044 -0.13754 0.01662 -0.00362 -0.00087 161 5PX 0.00545 0.01953 -0.01095 0.00031 -0.00562 162 5PY 0.00303 -0.02641 0.01690 0.00217 -0.00275 163 5PZ 0.00092 -0.11836 0.02241 -0.00478 -0.00172 164 9 O 1S -0.00007 -0.02630 0.00276 0.00043 0.00010 165 2S 0.00023 0.07763 -0.00738 -0.00157 -0.00040 166 3S 0.00029 0.12901 -0.01306 -0.00198 -0.00031 167 4PX -0.00434 -0.00190 0.00014 -0.00141 0.01045 168 4PY -0.00226 -0.00018 0.00001 -0.00487 0.00545 169 4PZ -0.00091 0.06666 -0.00340 0.01239 0.00295 170 5PX -0.00290 0.01364 -0.00201 -0.00192 0.00569 171 5PY -0.00188 -0.02567 0.00372 -0.00060 0.00360 172 5PZ -0.00051 0.06484 -0.00752 0.00675 0.00178 91 92 93 94 95 V V V V V EIGENVALUES -- 0.04522 0.04638 0.04647 0.05115 0.05199 1 1 Cu 1S -0.00108 0.00061 0.00007 0.00042 -0.00067 2 2S -0.01654 -0.01125 -0.01321 -0.05413 0.04483 3 3S -0.47675 -0.28114 -0.29105 -1.28959 1.04749 4 4PX 0.00138 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0.00490 0.00962 0.03299 0.06946 25 3S -1.01697 0.13250 0.16763 0.59157 1.53197 26 4PX 0.00290 -0.01185 -0.01188 0.01162 0.03196 27 4PY 0.00471 0.01284 0.02172 0.01231 0.01576 28 4PZ 0.00576 0.01100 0.01761 0.00555 0.02212 29 5PX -0.08463 0.08749 0.08522 -0.04992 -0.08801 30 5PY -0.04099 -0.07983 -0.11582 -0.09289 -0.05563 31 5PZ -0.06225 -0.05008 -0.09619 0.03341 -0.11779 32 6PX -0.22791 0.62350 0.82873 -0.02839 -0.10793 33 6PY -0.40077 -0.89477 -1.12520 0.57849 0.23405 34 6PZ -0.22812 -0.71927 -1.05578 -0.31006 0.58937 35 7D 0 -0.00858 -0.03577 0.00347 -0.01016 0.01121 36 7D+1 0.00027 0.00497 -0.02528 -0.01589 -0.00262 37 7D-1 -0.02696 -0.01779 -0.01727 0.01803 0.03834 38 7D+2 0.01375 -0.00023 0.03556 -0.01449 -0.01687 39 7D-2 -0.01034 -0.02283 -0.00914 0.00303 -0.01404 40 8D 0 -0.00063 -0.00446 -0.00011 -0.00128 0.00144 41 8D+1 -0.00037 0.00119 -0.00266 0.00114 0.00109 42 8D-1 -0.00811 -0.00297 -0.00418 0.00197 0.00462 43 8D+2 0.00176 0.00095 0.00487 -0.00251 -0.00059 44 8D-2 -0.00121 -0.00351 -0.00012 0.00051 0.00113 45 3 Cu 1S -0.00158 0.00007 -0.00001 -0.00020 0.00012 46 2S -0.04588 0.00009 -0.01893 0.08145 -0.00792 47 3S -0.88047 0.00950 -0.37065 1.59758 -0.16894 48 4PX -0.00512 0.00147 0.01508 0.00139 -0.00576 49 4PY 0.00827 -0.00013 -0.02470 -0.01331 -0.00125 50 4PZ 0.00872 -0.00110 -0.01602 0.04222 -0.00492 51 5PX 0.01579 0.00023 -0.09821 0.01533 0.09205 52 5PY -0.01029 0.00376 0.16833 0.02758 0.04655 53 5PZ -0.09735 0.00748 0.06543 -0.15639 0.02740 54 6PX 0.26553 0.02499 -0.92126 -0.12468 -0.61448 55 6PY -0.32462 0.06176 1.51377 0.04273 -0.34469 56 6PZ -0.63722 0.04164 1.06761 0.23998 -0.11327 57 7D 0 -0.03376 -0.00256 0.03675 0.01289 -0.00553 58 7D+1 0.01863 -0.01804 -0.01152 -0.02539 -0.01566 59 7D-1 -0.02138 -0.01315 0.01285 0.03270 -0.01184 60 7D+2 0.00213 0.03281 0.01155 -0.00979 -0.00319 61 7D-2 0.00482 -0.01931 0.01461 -0.02154 0.00684 62 8D 0 -0.00766 -0.00010 0.00530 0.00407 -0.00077 63 8D+1 0.00464 -0.00156 -0.00219 -0.00185 -0.00133 64 8D-1 -0.00461 -0.00110 0.00276 0.00103 -0.00113 65 8D+2 0.00232 0.00406 0.00170 -0.00072 0.00222 66 8D-2 0.00407 -0.00282 0.00197 -0.00174 -0.00115 67 4 Cu 1S -0.00140 0.00015 -0.00054 0.00023 0.00113 68 2S -0.05333 -0.00017 0.01036 0.01815 -0.07255 69 3S -1.00088 -0.04189 0.18519 0.27710 -1.61671 70 4PX -0.00721 0.00652 -0.01524 -0.01030 0.03712 71 4PY -0.00222 -0.01525 0.02045 0.00074 0.02041 72 4PZ 0.00358 -0.01162 0.01766 -0.00064 -0.01380 73 5PX 0.09411 -0.03449 0.06841 0.07278 -0.13399 74 5PY 0.06507 0.10279 -0.12766 -0.02276 -0.04856 75 5PZ -0.03794 0.05601 -0.10067 0.06767 0.08053 76 6PX 0.46130 -0.53527 0.68167 -0.36876 0.35066 77 6PY 0.04447 0.89588 -1.24701 0.37901 -0.28895 78 6PZ -0.09958 0.71830 -1.10123 -0.42144 -0.52694 79 7D 0 -0.00169 0.03374 0.01316 -0.00731 -0.00240 80 7D+1 0.01986 -0.01848 0.02421 0.00351 0.03575 81 7D-1 -0.00824 0.00850 0.01750 0.01684 -0.02158 82 7D+2 -0.01873 0.02528 -0.02605 0.01192 -0.00473 83 7D-2 0.00949 0.00860 0.02400 -0.01159 0.02396 84 8D 0 0.00103 0.00419 0.00133 -0.00170 0.00023 85 8D+1 0.00629 -0.00266 0.00475 -0.00087 0.00478 86 8D-1 -0.00318 0.00199 0.00082 -0.00049 -0.00134 87 8D+2 -0.00316 0.00424 -0.00287 0.00167 -0.00241 88 8D-2 0.00128 0.00036 0.00393 -0.00199 0.00050 89 5 Cu 1S -0.00110 -0.00056 0.00009 0.00043 0.00051 90 2S -0.00955 0.01269 -0.01117 -0.06248 -0.03358 91 3S -0.36862 0.33685 -0.26769 -1.47266 -0.78941 92 4PX -0.01568 -0.01470 0.00413 0.02927 0.01351 93 4PY 0.01101 0.02355 -0.00814 -0.00528 -0.01117 94 4PZ -0.00637 0.02033 -0.00635 0.02701 0.01567 95 5PX 0.11577 0.05469 -0.01965 -0.13335 -0.01491 96 5PY -0.05596 -0.13700 0.03513 0.01736 0.10331 97 5PZ 0.05517 -0.14328 0.06210 -0.04560 -0.07200 98 6PX 0.44657 0.79042 -0.19546 0.66284 -0.12501 99 6PY -0.57515 -1.29384 0.35046 -0.34569 -0.83087 100 6PZ -0.30722 -1.26546 0.39783 -0.48464 -0.00395 101 7D 0 0.02888 0.02413 -0.02544 0.01756 0.00205 102 7D+1 0.00209 0.01264 0.02220 0.00915 0.00915 103 7D-1 0.00798 0.01750 0.00390 -0.02195 0.00007 104 7D+2 -0.00264 -0.01765 -0.02710 -0.00355 0.01499 105 7D-2 0.02446 0.02518 0.00225 0.02918 0.02689 106 8D 0 0.00492 0.00306 -0.00382 -0.00006 0.00219 107 8D+1 0.00099 0.00261 0.00273 -0.00024 -0.00099 108 8D-1 -0.00223 0.00161 0.00116 -0.00275 -0.00093 109 8D+2 -0.00054 -0.00166 -0.00294 -0.00112 0.00182 110 8D-2 0.00775 0.00441 0.00100 0.00448 0.00297 111 6 Cu 1S 0.00193 0.00000 -0.00005 -0.00271 -0.00001 112 2S 0.01602 -0.00085 0.00284 -0.01655 -0.00015 113 3S 1.02533 -0.05454 0.20019 0.26713 -0.00278 114 4PX -0.00535 0.00055 -0.00047 -0.00081 -0.01542 115 4PY 0.00766 0.00003 0.00144 0.00264 -0.00935 116 4PZ 0.02169 -0.00060 0.00167 -0.02669 -0.00047 117 5PX 0.07947 0.00014 0.01048 0.04745 0.13298 118 5PY -0.12023 0.00598 -0.02012 -0.08800 0.08042 119 5PZ -0.19336 0.00712 -0.02121 0.19640 0.00378 120 6PX -1.16190 -0.03202 -0.17275 0.13074 1.12344 121 6PY 1.86162 -0.11637 0.22366 -0.28095 0.67801 122 6PZ 1.09059 -0.07358 0.30512 1.42847 0.03263 123 7D 0 -0.01398 -0.00693 0.03033 -0.01284 -0.00037 124 7D+1 0.00039 -0.04075 0.00457 0.00221 -0.00896 125 7D-1 -0.00039 -0.01822 -0.02846 -0.00316 -0.00613 126 7D+2 0.00013 -0.02522 -0.02391 -0.00517 0.02004 127 7D-2 0.00117 0.02219 -0.03126 -0.00962 -0.01015 128 8D 0 -0.00383 -0.00097 0.00441 -0.00251 -0.00004 129 8D+1 -0.00587 -0.00558 -0.00055 -0.00165 -0.00090 130 8D-1 0.00943 -0.00318 -0.00227 0.00263 -0.00063 131 8D+2 -0.00347 -0.00302 -0.00393 -0.00244 0.00229 132 8D-2 -0.00723 0.00322 -0.00565 -0.00487 -0.00116 133 7 Cu 1S 0.00286 -0.00013 0.00051 0.00162 0.00000 134 2S 0.18408 -0.00646 0.02381 0.00334 -0.00007 135 3S 2.19571 -0.07780 0.28646 0.05125 -0.00061 136 4PX 0.01979 0.00267 0.00213 -0.01456 -0.04725 137 4PY -0.03177 0.00255 -0.00186 0.02603 -0.02860 138 4PZ -0.01736 0.00166 -0.00665 -0.04241 -0.00133 139 5PX -0.05631 -0.01979 -0.00491 0.09522 0.31230 140 5PY 0.09298 -0.01271 -0.00289 -0.17081 0.18896 141 5PZ 0.00426 -0.00667 0.02938 0.28838 0.00883 142 6PX -0.01726 -0.10077 0.00765 0.51778 2.29355 143 6PY 0.04440 -0.04505 -0.05539 -0.96528 1.39305 144 6PZ -0.27714 -0.02755 0.12075 2.30837 0.06714 145 7D 0 0.00741 0.00747 -0.02886 -0.01387 -0.00047 146 7D+1 0.00653 0.03904 -0.00262 0.01196 -0.00765 147 7D-1 -0.00970 0.01813 0.02261 -0.01846 -0.00506 148 7D+2 0.00434 0.02322 0.02098 -0.00166 0.01426 149 7D-2 0.00794 -0.02124 0.02840 -0.00223 -0.00706 150 8D 0 0.00075 0.00102 -0.00383 -0.00288 -0.00013 151 8D+1 0.00024 0.00510 -0.00032 0.00197 -0.00193 152 8D-1 -0.00021 0.00233 0.00283 -0.00300 -0.00122 153 8D+2 0.00084 0.00282 0.00247 -0.00026 0.00234 154 8D-2 0.00147 -0.00266 0.00346 -0.00034 -0.00113 155 8 C 1S -0.00376 0.00011 -0.00041 -0.00780 0.00001 156 2S 0.02830 -0.00094 0.00360 0.02945 -0.00002 157 3S 0.04150 -0.00258 0.00906 0.01782 -0.00034 158 4PX -0.03053 0.00536 -0.00498 -0.01127 -0.16494 159 4PY 0.05222 -0.00036 0.01025 0.02685 -0.10022 160 4PZ -0.04305 0.00432 -0.01469 -0.17345 -0.00473 161 5PX 0.06579 -0.00565 0.01379 0.00641 -0.15626 162 5PY -0.10421 0.00474 -0.02106 -0.00135 -0.09489 163 5PZ -0.09481 0.00543 -0.02082 -0.19030 -0.00445 164 9 O 1S -0.02813 0.00137 -0.00524 0.00956 0.00004 165 2S 0.08570 -0.00432 0.01654 -0.02696 -0.00012 166 3S 0.11712 -0.00477 0.01857 -0.05616 -0.00024 167 4PX 0.00919 -0.02179 0.00088 0.00301 0.01000 168 4PY -0.01544 -0.01091 -0.00848 -0.00557 0.00612 169 4PZ -0.01625 -0.00451 0.01572 0.00714 0.00030 170 5PX 0.02712 -0.00779 0.00469 0.00264 0.05354 171 5PY -0.04564 -0.00124 -0.00995 -0.00726 0.03265 172 5PZ 0.01364 -0.00271 0.00880 0.05628 0.00149 96 97 98 99 100 V V V V V EIGENVALUES -- 0.06311 0.06329 0.07218 0.07266 0.07979 1 1 Cu 1S 0.00114 -0.00087 0.00086 -0.00104 0.00118 2 2S -0.00155 0.01353 -0.01860 0.02082 0.03816 3 3S -0.28736 0.38245 -0.68989 0.85310 0.94388 4 4PX -0.02443 0.01672 0.00127 0.03261 -0.00797 5 4PY 0.01877 -0.01326 -0.03215 0.03521 -0.01255 6 4PZ 0.03083 -0.03216 0.03637 -0.01845 0.00955 7 5PX 0.14428 -0.07459 -0.05244 -0.19116 0.03542 8 5PY -0.13278 0.11262 0.14459 -0.15912 0.06230 9 5PZ -0.15678 0.20013 -0.19662 0.05174 -0.05438 10 6PX -0.80921 0.55118 -1.23367 -1.49474 1.77908 11 6PY 1.08963 -0.98282 -0.47427 0.22043 -1.21993 12 6PZ 0.98395 -1.04138 -1.11776 -0.79356 2.19657 13 7D 0 -0.00541 0.04352 -0.00389 -0.00533 -0.02832 14 7D+1 0.02495 -0.01064 -0.01214 0.00822 0.00388 15 7D-1 0.01067 0.01493 0.00718 0.00073 0.02780 16 7D+2 -0.03384 0.00689 -0.00232 0.00852 0.02751 17 7D-2 0.00780 0.00992 0.00441 0.00769 0.02631 18 8D 0 -0.00087 0.00923 -0.00207 -0.00203 -0.00448 19 8D+1 0.00654 -0.00164 -0.00074 -0.00151 0.00094 20 8D-1 0.00369 0.00361 0.00304 0.00083 0.00428 21 8D+2 -0.00816 0.00073 0.00165 0.00035 0.00413 22 8D-2 0.00316 0.00485 0.00216 0.00273 0.00386 23 2 Cu 1S 0.00028 -0.00122 0.00149 0.00072 0.00161 24 2S 0.01379 0.02458 -0.02204 -0.00952 0.05177 25 3S 0.13267 0.61475 -0.90776 -0.38369 1.29514 26 4PX 0.00996 0.04058 -0.05204 -0.02618 -0.02393 27 4PY -0.00958 -0.03096 -0.00983 -0.02520 -0.00839 28 4PZ -0.01192 -0.02045 -0.02968 0.00862 -0.00726 29 5PX -0.07359 -0.21127 0.23285 0.12670 0.12388 30 5PY 0.06514 0.22770 0.02804 0.16639 0.04229 31 5PZ 0.10762 0.14761 0.16067 -0.09143 0.03987 32 6PX 0.50191 1.06337 0.03749 0.22545 -1.68636 33 6PY -0.70375 -1.47760 -1.17981 1.41268 0.12937 34 6PZ -0.75362 -1.15605 0.33053 -1.74398 -2.14356 35 7D 0 0.01624 -0.02676 -0.00659 0.00301 0.00116 36 7D+1 -0.03204 -0.01616 -0.00582 0.00643 -0.02681 37 7D-1 0.00082 -0.01122 0.01268 0.00772 -0.02112 38 7D+2 0.02916 0.01733 0.00281 0.00237 -0.02197 39 7D-2 -0.00738 -0.03757 -0.00230 -0.00944 0.01100 40 8D 0 0.00667 -0.00680 -0.00064 0.00257 0.00038 41 8D+1 -0.00553 -0.00171 -0.00268 0.00221 -0.00384 42 8D-1 0.00008 -0.00364 -0.00019 0.00044 -0.00304 43 8D+2 0.00684 0.00346 -0.00167 -0.00045 -0.00358 44 8D-2 0.00018 -0.00593 0.00037 -0.00391 0.00178 45 3 Cu 1S -0.00011 0.00012 -0.00020 0.00194 -0.00014 46 2S 0.02843 -0.00310 0.00233 -0.02236 -0.00461 47 3S 0.46038 -0.07372 0.10309 -0.97995 -0.11877 48 4PX 0.02393 -0.00750 0.02504 -0.01024 -0.00005 49 4PY -0.04091 0.00254 0.00870 0.03775 -0.00170 50 4PZ -0.02057 0.00068 0.00870 -0.05226 0.00182 51 5PX -0.15833 0.07875 -0.18068 0.03732 -0.01066 52 5PY 0.26662 0.00322 -0.07550 -0.17432 0.00330 53 5PZ 0.17696 -0.00649 -0.04848 0.24050 -0.01098 54 6PX 1.13223 -0.28778 -2.12825 -0.05943 3.32251 55 6PY -1.83655 0.07119 -1.06778 -0.39210 1.65451 56 6PZ -1.47214 0.09861 -0.18852 -0.36925 0.57867 57 7D 0 -0.04825 0.00716 0.00181 0.00692 0.01117 58 7D+1 0.00701 0.01163 0.01134 -0.00478 0.04763 59 7D-1 0.00153 0.01126 0.00441 0.00481 0.01926 60 7D+2 -0.02388 -0.03178 0.00607 -0.00800 0.02730 61 7D-2 -0.02844 0.02342 -0.00369 -0.01462 -0.02784 62 8D 0 -0.00795 0.00200 0.00101 -0.00062 0.00163 63 8D+1 0.00249 0.00513 0.00447 -0.00086 0.00709 64 8D-1 -0.00123 0.00418 0.00176 0.00287 0.00285 65 8D+2 -0.00372 -0.00767 0.00216 0.00055 0.00411 66 8D-2 -0.00349 0.00495 -0.00215 -0.00039 -0.00418 67 4 Cu 1S 0.00041 0.00132 -0.00155 0.00034 -0.00170 68 2S 0.01050 -0.02481 0.02431 -0.00440 -0.05499 69 3S 0.05326 -0.63417 0.98160 -0.15987 -1.37476 70 4PX 0.00199 -0.00683 -0.04804 0.02366 -0.02210 71 4PY -0.00408 0.05117 -0.04038 -0.00286 -0.01635 72 4PZ -0.00749 0.02699 0.01483 0.01905 0.00213 73 5PX -0.00933 0.09575 0.21460 -0.14708 0.11424 74 5PY 0.03702 -0.29853 0.18656 0.04212 0.08523 75 5PZ 0.07811 -0.18270 -0.08207 -0.14803 -0.01151 76 6PX 0.26013 -0.87549 -0.68659 -1.10085 -1.58677 77 6PY -0.41714 1.66483 0.56084 0.90892 -1.48413 78 6PZ -0.50333 1.28146 -0.01795 -1.96508 1.36204 79 7D 0 0.02832 0.01362 0.00609 0.00087 -0.01604 80 7D+1 0.00525 -0.01952 0.00775 -0.01002 -0.02686 81 7D-1 0.02599 -0.01992 -0.01284 -0.00338 0.00243 82 7D+2 -0.00913 0.04440 0.00288 -0.00742 -0.00663 83 7D-2 0.01707 -0.00265 -0.00030 -0.00017 0.02203 84 8D 0 0.00893 0.00377 -0.00061 0.00146 -0.00253 85 8D+1 -0.00013 -0.00477 -0.00108 -0.00326 -0.00380 86 8D-1 0.00440 -0.00219 -0.00121 -0.00226 0.00055 87 8D+2 -0.00072 0.00793 -0.00004 -0.00334 -0.00127 88 8D-2 0.00512 -0.00172 0.00204 -0.00087 0.00353 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0.02020 -0.03773 38 7D+2 0.01258 -0.00171 -0.04055 0.00246 -0.00177 39 7D-2 -0.00927 0.01238 0.01075 0.02614 0.02594 40 8D 0 0.00129 0.00160 0.00093 0.00637 0.00392 41 8D+1 -0.00340 0.00237 0.00602 0.00120 0.00767 42 8D-1 -0.00010 -0.00015 0.00334 0.00487 -0.00323 43 8D+2 0.00440 0.00043 -0.00858 -0.00185 0.00312 44 8D-2 -0.00053 -0.00240 0.00513 0.00518 -0.00398 45 3 Cu 1S 0.00266 0.00001 0.00001 -0.00002 -0.01271 46 2S 0.01934 0.00012 -0.00382 -0.00017 -0.07683 47 3S 0.00172 0.00305 -0.03780 0.00705 -0.07521 48 4PX 0.01426 -0.00302 -0.04559 -0.00137 0.02583 49 4PY -0.01779 -0.00160 0.07233 0.00668 -0.05250 50 4PZ -0.03234 -0.00034 0.06258 0.00494 -0.02011 51 5PX -0.12237 -0.03201 0.48045 0.01725 -0.25865 52 5PY 0.16149 -0.01700 -0.76068 -0.07063 0.52820 53 5PZ 0.22830 -0.00390 -0.66238 -0.05208 0.32376 54 6PX -1.93863 12.99720 -0.80757 0.01154 0.26960 55 6PY 3.13178 6.88301 1.27865 0.13944 -0.67758 56 6PZ 2.54394 1.54562 1.10486 0.09637 -0.19852 57 7D 0 -0.00696 0.00278 -0.04430 0.00229 0.00151 58 7D+1 -0.00002 0.01412 0.01112 0.02570 0.02625 59 7D-1 0.00267 0.00616 -0.01397 0.01744 -0.02734 60 7D+2 -0.00852 0.00829 -0.01081 -0.03930 0.04290 61 7D-2 -0.01140 -0.00755 -0.01888 0.02065 0.06838 62 8D 0 -0.00598 -0.00057 -0.01138 -0.00023 -0.00428 63 8D+1 0.00164 -0.00277 0.00313 0.00318 0.00396 64 8D-1 -0.00141 -0.00121 -0.00330 0.00203 -0.00195 65 8D+2 -0.00336 -0.00160 -0.00296 -0.00503 0.00519 66 8D-2 -0.00390 0.00149 -0.00425 0.00228 0.00728 67 4 Cu 1S 0.00112 0.00003 -0.00008 -0.00047 -0.00842 68 2S 0.01460 0.00136 0.00144 -0.00408 -0.05802 69 3S 0.03728 0.04963 -0.08073 0.02238 -0.24707 70 4PX 0.01323 -0.00184 0.03690 -0.02432 -0.00247 71 4PY -0.00981 0.00113 -0.06181 0.03688 -0.02570 72 4PZ -0.00516 -0.00300 -0.05416 0.03190 -0.05806 73 5PX -0.10962 -0.01540 -0.38999 0.25740 -0.00216 74 5PY 0.10181 0.01616 0.67602 -0.39122 0.19981 75 5PZ 0.02787 -0.02726 0.57547 -0.33291 0.74496 76 6PX -0.25025 6.90259 0.69240 -0.38787 -0.32500 77 6PY 0.48148 -5.76640 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-0.01415 -0.27430 0.65845 0.36205 98 6PX 1.67505 -8.83684 -0.29923 0.78551 0.47850 99 6PY -2.87404 -10.59503 0.52829 -1.24184 0.35392 100 6PZ -2.56260 5.76604 0.44979 -1.08073 0.13410 101 7D 0 0.00519 -0.00941 0.03594 -0.02809 -0.00090 102 7D+1 -0.00801 0.00305 -0.02374 -0.01708 0.03250 103 7D-1 0.00479 0.01166 0.00021 -0.02139 0.00100 104 7D+2 0.00488 0.01071 0.03385 0.02354 0.02375 105 7D-2 0.00285 0.00771 0.00566 -0.02949 -0.01938 106 8D 0 -0.00276 0.00180 0.00689 -0.00955 0.00323 107 8D+1 -0.00172 -0.00058 -0.00254 -0.00273 0.01081 108 8D-1 -0.00269 -0.00212 0.00150 -0.00615 0.00880 109 8D+2 0.00236 -0.00204 0.00371 0.00433 0.00706 110 8D-2 -0.00323 -0.00141 0.00238 -0.00749 -0.00951 111 6 Cu 1S -0.00015 0.00000 -0.00104 0.00013 0.01090 112 2S -0.04147 0.00001 -0.00758 0.00120 0.21629 113 3S 0.05403 -0.00085 0.16536 -0.02097 3.84304 114 4PX -0.00580 0.00004 0.00141 -0.00299 -0.01381 115 4PY 0.01022 0.00002 -0.00335 -0.00122 0.01991 116 4PZ -0.01348 0.00003 0.00054 -0.00018 0.06255 117 5PX 0.07480 0.00030 0.00238 0.05662 0.26362 118 5PY -0.12719 0.00038 0.01615 0.03373 -0.39984 119 5PZ 0.09265 -0.00009 -0.04323 0.00713 -0.77733 120 6PX -2.74299 0.04549 -0.02855 -0.16838 -0.19149 121 6PY 4.85112 0.02496 0.01790 -0.10032 0.21184 122 6PZ -6.71622 0.00402 0.08975 -0.02435 2.28536 123 7D 0 -0.00012 0.00000 -0.05757 0.01051 -0.05240 124 7D+1 0.00906 -0.00012 -0.01197 0.07269 -0.02048 125 7D-1 -0.01425 -0.00007 0.04655 0.03618 0.03403 126 7D+2 0.00846 -0.00008 0.03494 0.04099 -0.03506 127 7D-2 0.01754 0.00009 0.05095 -0.03195 -0.06988 128 8D 0 0.00223 0.00000 -0.01178 0.00212 -0.01655 129 8D+1 0.00131 -0.00001 -0.00333 0.01462 -0.01335 130 8D-1 -0.00225 -0.00001 0.01098 0.00703 0.02167 131 8D+2 0.00210 -0.00002 0.00690 0.00896 -0.01523 132 8D-2 0.00429 0.00003 0.00953 -0.00655 -0.03080 133 7 Cu 1S 0.00057 0.00000 0.00038 -0.00004 -0.00441 134 2S -0.01280 -0.00001 0.00231 -0.00030 -0.05465 135 3S -0.35392 -0.00017 0.02979 -0.00809 -1.56886 136 4PX -0.00144 0.00009 0.00016 -0.00059 0.00093 137 4PY 0.00087 0.00005 -0.00075 -0.00018 -0.00256 138 4PZ 0.03098 0.00003 0.00099 -0.00005 0.02302 139 5PX -0.01505 -0.00048 0.00137 0.00732 -0.08047 140 5PY 0.03673 -0.00015 0.00305 0.00400 0.13943 141 5PZ -0.24291 -0.00027 -0.01422 0.00137 -0.17070 142 6PX 2.17694 0.04834 -0.00445 0.08855 -0.28786 143 6PY -3.93855 0.02488 0.00869 0.04920 0.44380 144 6PZ 7.31550 0.00710 -0.02001 0.01460 0.71623 145 7D 0 -0.03659 0.00005 0.05885 -0.01100 0.02586 146 7D+1 0.00307 0.00021 0.01292 -0.07571 -0.04048 147 7D-1 -0.00351 0.00010 -0.04874 -0.03703 0.06335 148 7D+2 -0.01300 -0.00004 -0.03807 -0.04743 -0.01267 149 7D-2 -0.02462 -0.00005 -0.05568 0.03639 -0.02834 150 8D 0 -0.00173 0.00002 0.01505 -0.00282 0.00377 151 8D+1 -0.00159 0.00007 0.00300 -0.01924 -0.01056 152 8D-1 0.00252 0.00003 -0.01192 -0.00947 0.01663 153 8D+2 -0.00161 0.00003 -0.00974 -0.01201 -0.00473 154 8D-2 -0.00321 -0.00004 -0.01438 0.00928 -0.01011 155 8 C 1S -0.00095 -0.00001 0.00010 0.00001 0.07954 156 2S -0.01390 0.00002 -0.00414 0.00032 -0.16079 157 3S 0.13846 0.00008 0.00931 -0.00054 -1.24616 158 4PX -0.01017 0.00054 0.00064 0.02512 0.05219 159 4PY 0.01248 0.00029 0.00544 0.01436 -0.08633 160 4PZ 0.09080 0.00015 -0.02178 0.00360 0.02343 161 5PX 0.07737 0.00020 0.03219 -0.01061 0.19288 162 5PY -0.13156 0.00033 -0.05850 0.00305 -0.30703 163 5PZ 0.07847 0.00020 -0.00862 0.00267 -0.18863 164 9 O 1S -0.01633 0.00000 0.00100 -0.00018 -0.01219 165 2S 0.05392 -0.00001 -0.00004 0.00034 0.03952 166 3S 0.03565 0.00005 -0.03008 0.00347 0.06810 167 4PX 0.02039 -0.00051 0.00360 -0.01364 -0.04629 168 4PY -0.03512 -0.00026 -0.01101 -0.00667 0.07873 169 4PZ 0.02349 -0.00014 0.01196 -0.00116 -0.05733 170 5PX 0.02732 -0.00035 0.00143 -0.01070 -0.07957 171 5PY -0.04458 -0.00019 -0.00295 -0.00581 0.12899 172 5PZ -0.01095 -0.00012 0.01091 -0.00277 0.03099 111 112 113 114 115 V V V V V EIGENVALUES -- 0.18594 0.18841 0.21218 0.24382 0.24592 1 1 Cu 1S -0.00595 -0.00349 0.00341 -0.00559 -0.00073 2 2S -0.02239 -0.00766 0.01644 0.06338 0.01145 3 3S -0.48112 0.33100 -1.30928 5.08932 0.57049 4 4PX 0.04967 -0.05738 -0.01204 -0.02732 0.00115 5 4PY 0.00131 0.00615 -0.00420 -0.03211 0.00394 6 4PZ 0.01442 -0.03772 -0.01795 0.05376 0.02022 7 5PX -0.74519 0.87803 0.04575 0.74975 -0.31915 8 5PY -0.00758 -0.07603 0.07910 0.77120 -0.14095 9 5PZ -0.18067 0.51635 0.54417 -1.33335 -0.69231 10 6PX 1.07606 -1.35063 -0.10938 -0.05347 -0.31868 11 6PY 0.45210 0.65704 -1.09933 1.10089 0.28078 12 6PZ 0.56932 -1.00844 -0.57279 0.16763 0.14565 13 7D 0 0.02129 -0.02831 -0.02093 0.03513 0.05341 14 7D+1 0.07970 0.04700 -0.03380 -0.01010 -0.00681 15 7D-1 -0.03843 0.01008 0.01364 -0.05388 -0.02687 16 7D+2 0.04205 0.07167 -0.02079 0.04303 0.00840 17 7D-2 -0.00034 0.04845 -0.00079 0.03589 -0.02681 18 8D 0 0.00559 -0.00905 -0.01580 0.00960 0.02106 19 8D+1 0.02986 0.01141 0.01441 0.00211 0.00541 20 8D-1 -0.00995 0.00810 -0.00401 -0.01789 -0.01375 21 8D+2 0.00994 0.02267 -0.01295 0.01684 -0.00096 22 8D-2 -0.00321 0.01471 0.00740 0.01517 -0.01541 23 2 Cu 1S 0.00122 -0.00529 0.00758 -0.00008 0.00463 24 2S -0.01103 -0.01117 0.03186 -0.06710 -0.06306 25 3S -0.90637 0.58412 -0.92465 -3.91944 -4.87819 26 4PX 0.00185 0.00098 -0.01116 0.03317 0.05542 27 4PY -0.05742 -0.01926 0.03881 0.03681 0.02980 28 4PZ 0.04089 0.03217 -0.00442 0.04257 0.01105 29 5PX -0.06990 0.07693 0.05874 -0.81382 -1.43218 30 5PY 0.84649 0.27168 -0.67463 -0.77034 -0.87005 31 5PZ -0.60548 -0.47336 0.06399 -1.18034 -0.10882 32 6PX -0.44131 0.45348 -0.31478 -1.16784 -0.64583 33 6PY -1.44472 -0.01866 0.81654 0.73949 -0.24445 34 6PZ 0.95621 1.27323 -0.11309 0.37424 -0.27331 35 7D 0 -0.03532 0.01471 -0.00985 -0.03972 0.02323 36 7D+1 -0.02542 -0.02137 -0.00521 -0.07325 -0.00302 37 7D-1 0.02956 -0.11296 -0.03663 0.00701 0.03383 38 7D+2 0.01142 -0.02927 0.02904 0.03305 -0.01050 39 7D-2 0.03853 0.03639 -0.05168 -0.05818 -0.06803 40 8D 0 -0.01114 0.00321 0.00600 -0.01408 0.01110 41 8D+1 -0.00865 -0.01151 0.00448 -0.02696 0.00393 42 8D-1 0.00917 -0.03148 -0.01557 0.00528 0.01448 43 8D+2 0.00288 -0.01036 0.00475 0.00611 -0.00432 44 8D-2 0.01739 0.00701 -0.00110 -0.01371 -0.02442 45 3 Cu 1S 0.00498 0.00057 0.00866 -0.00020 -0.00158 46 2S -0.00621 0.00134 0.03908 0.01337 0.11714 47 3S -1.17234 -0.06016 -0.38996 0.81145 7.05338 48 4PX 0.01290 -0.08015 -0.02247 0.01784 -0.01701 49 4PY -0.00761 -0.04199 0.03155 0.01333 0.04541 50 4PZ -0.01278 -0.00996 0.01905 -0.00900 -0.08416 51 5PX -0.20110 1.18891 0.40881 -0.62153 0.48212 52 5PY 0.14244 0.63434 -0.56438 -0.42815 -1.08001 53 5PZ 0.14026 0.14380 -0.41215 0.19674 2.07052 54 6PX 0.15700 -1.95848 -0.62892 0.13064 0.44264 55 6PY 0.26975 -1.02239 0.83708 -0.13013 -0.91432 56 6PZ -0.95651 -0.32577 0.95195 0.04728 0.67891 57 7D 0 0.04955 0.01620 -0.09618 -0.00059 0.02642 58 7D+1 -0.02182 0.04926 0.03267 -0.03790 0.04541 59 7D-1 -0.00588 0.02411 -0.02187 -0.02455 -0.06370 60 7D+2 -0.04803 0.02804 -0.00801 -0.01601 0.03056 61 7D-2 -0.06572 -0.03861 -0.00932 0.02949 0.04757 62 8D 0 0.01752 0.00594 -0.02288 -0.00161 0.00759 63 8D+1 -0.00536 0.01875 0.01148 -0.01588 0.01913 64 8D-1 -0.00559 0.00854 -0.00951 -0.00987 -0.02300 65 8D+2 -0.01463 0.00979 0.00222 -0.00886 0.01381 66 8D-2 -0.01865 -0.01256 0.00558 0.01251 0.01969 67 4 Cu 1S 0.00016 0.00557 0.00707 0.00092 0.00631 68 2S -0.01222 0.01238 0.03009 0.04783 -0.08666 69 3S -0.83160 -0.57276 -1.03651 2.62973 -6.71926 70 4PX 0.03918 -0.00093 -0.02448 0.04160 -0.07054 71 4PY -0.03989 0.00882 0.02825 0.00026 -0.04856 72 4PZ 0.04908 -0.02121 -0.01023 -0.03355 0.00342 73 5PX -0.55829 0.05238 0.49958 -0.92540 1.80400 74 5PY 0.62363 -0.04609 -0.34544 -0.10059 1.21700 75 5PZ -0.71208 0.32627 0.20515 1.00220 0.00523 76 6PX 1.17813 0.69519 -0.32724 0.20754 0.85303 77 6PY -0.62919 0.35071 0.61946 -1.27161 0.50341 78 6PZ 1.29188 -0.89553 -0.33277 -0.58995 -0.28261 79 7D 0 -0.02268 -0.04469 -0.00448 0.02203 0.01458 80 7D+1 0.02222 -0.09990 0.01204 -0.04623 -0.04786 81 7D-1 0.03469 0.06778 -0.00654 -0.07186 0.04057 82 7D+2 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0.05408 0.15232 32 6PX -0.66635 -0.07215 0.08699 0.57263 -0.00747 33 6PY -0.26343 -0.00819 -0.49696 -0.92260 0.09807 34 6PZ -0.30046 0.10777 -0.22535 -0.83319 -0.08431 35 7D 0 0.02038 0.02231 0.00668 -0.01976 0.00513 36 7D+1 0.04805 -0.00491 -0.00915 -0.01118 -0.00967 37 7D-1 -0.00588 -0.05109 0.03318 0.00845 0.01547 38 7D+2 0.00156 0.02232 0.02520 0.02478 -0.00980 39 7D-2 0.00749 -0.07049 -0.00925 -0.03300 -0.01752 40 8D 0 0.01180 -0.00471 -0.00268 -0.00177 -0.00307 41 8D+1 -0.01129 0.00607 0.01935 -0.00014 0.02323 42 8D-1 0.00077 -0.00066 -0.01310 -0.00387 -0.00937 43 8D+2 -0.01654 0.01249 -0.00431 0.00021 0.00812 44 8D-2 -0.02164 -0.02497 -0.01246 0.01175 0.03707 45 3 Cu 1S 0.00300 0.00691 -0.00847 0.00106 0.00644 46 2S 0.02827 0.12367 0.06334 -0.00621 0.01676 47 3S 0.55767 2.98525 3.74288 -0.40279 0.07473 48 4PX 0.02068 -0.01334 -0.01001 0.00654 -0.00198 49 4PY 0.01854 0.02914 0.02603 -0.00019 0.00337 50 4PZ -0.00423 -0.02923 -0.02625 0.00324 -0.00078 51 5PX -1.26473 0.71792 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-0.00701 -0.00517 -0.01717 0.00563 72 4PZ -0.00317 -0.00930 0.00424 0.00351 0.00000 73 5PX -1.68765 0.91415 0.08516 0.46579 -0.10891 74 5PY -1.38391 -0.55480 -0.14412 0.81257 0.05986 75 5PZ -0.02397 0.44135 0.23670 0.08942 0.14155 76 6PX -0.67261 0.10842 0.30917 -0.66524 -0.09766 77 6PY -0.43773 0.11530 -0.16110 0.91285 0.13867 78 6PZ 0.14362 0.11161 -0.04305 0.85465 -0.04287 79 7D 0 -0.00014 0.03118 0.00651 0.01200 0.00223 80 7D+1 0.01175 0.01877 -0.02437 0.00514 -0.01307 81 7D-1 0.03601 -0.03070 0.02630 -0.02584 0.01319 82 7D+2 -0.01880 -0.07534 -0.00209 0.03853 -0.01086 83 7D-2 -0.01655 -0.00369 0.01430 -0.00784 -0.01607 84 8D 0 -0.01357 -0.00461 -0.00576 0.00422 -0.00460 85 8D+1 0.00025 -0.00628 -0.00221 -0.00542 0.00489 86 8D-1 -0.00811 0.00070 -0.02159 0.00392 -0.02172 87 8D+2 0.01111 -0.02972 -0.01345 -0.00559 0.03168 88 8D-2 0.02602 -0.00093 -0.00469 -0.00286 0.02457 89 5 Cu 1S 0.01224 -0.01783 0.02723 0.01219 -0.00723 90 2S 0.11568 -0.19495 0.03993 0.02358 -0.00424 91 3S 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111 6 Cu 1S 0.00033 0.00521 0.00952 0.00021 -0.06685 112 2S 0.00225 0.04336 0.01207 0.00054 -0.21627 113 3S 0.02655 -0.58489 -0.20356 -0.01697 2.81712 114 4PX 0.07292 -0.05828 -0.01719 -0.03864 0.02504 115 4PY 0.04422 0.09686 0.03051 -0.02303 -0.03998 116 4PZ 0.00140 -0.02395 -0.03618 -0.00130 -0.02696 117 5PX -2.39684 1.28046 0.67880 1.55223 0.04625 118 5PY -1.44230 -2.16013 -1.20769 0.92597 -0.07987 119 5PZ -0.04197 1.27343 1.43253 0.05155 0.10861 120 6PX -0.34021 0.54293 0.93014 3.50079 0.29893 121 6PY -0.20770 -0.89780 -1.73744 2.11214 -0.52206 122 6PZ -0.00696 0.14756 3.20833 0.11948 0.77930 123 7D 0 -0.00286 0.06127 -0.00301 -0.00032 0.02102 124 7D+1 -0.06981 -0.01444 0.01090 -0.00233 0.07555 125 7D-1 -0.04497 0.02051 -0.01693 -0.00113 -0.12021 126 7D+2 0.10050 0.01358 0.00634 -0.00349 0.04856 127 7D-2 -0.04968 0.02473 0.01335 0.00211 0.10147 128 8D 0 -0.00054 0.02211 -0.02443 -0.00072 -0.03325 129 8D+1 -0.01445 -0.00420 0.00165 -0.01345 -0.12457 130 8D-1 -0.00987 0.00593 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-0.07518 16 7D+2 -0.11624 -0.09904 -0.01323 -0.03433 -0.00416 17 7D-2 0.17042 0.01197 0.04198 -0.08877 -0.16675 18 8D 0 -0.26242 0.06985 0.03403 0.00590 -0.20233 19 8D+1 -0.10235 -0.09091 0.09463 0.01074 -0.15787 20 8D-1 -0.15804 -0.00932 0.22762 -0.06326 0.10009 21 8D+2 0.17171 0.11519 0.04185 0.04714 -0.01281 22 8D-2 -0.24407 -0.02125 -0.07728 0.14866 0.22955 23 2 Cu 1S 0.00462 -0.01244 0.06083 0.12075 -0.18396 24 2S 0.00807 -0.01881 0.10124 0.18434 -0.32628 25 3S -0.08201 0.28826 -1.48550 -3.18377 4.16420 26 4PX -0.00271 -0.00587 0.00745 0.00746 -0.00493 27 4PY 0.00552 0.00787 0.00687 0.00094 -0.00441 28 4PZ 0.00437 0.00651 0.00432 0.00800 0.00069 29 5PX 0.02386 0.15201 -0.48524 -0.69103 0.82919 30 5PY -0.09913 -0.13832 -0.08178 -0.12817 0.38476 31 5PZ -0.10741 -0.09675 -0.42180 -0.26930 0.21322 32 6PX -0.02507 -0.03961 -0.19760 -0.34266 0.80070 33 6PY 0.05734 0.12039 0.08231 -0.01497 0.39335 34 6PZ -0.02704 0.11856 -0.43468 -0.26588 0.13979 35 7D 0 -0.21673 0.06533 0.01737 0.16312 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-0.21177 0.21698 56 6PZ -0.18911 -0.05768 -0.61477 0.02182 -0.39123 57 7D 0 0.09493 0.07187 0.06600 0.03064 -0.08276 58 7D+1 -0.07818 0.10433 0.02265 0.20317 -0.00840 59 7D-1 -0.01259 0.10301 -0.01965 0.09322 0.07416 60 7D+2 0.13054 -0.19332 0.04326 0.11692 0.05449 61 7D-2 -0.00182 0.14456 0.06465 -0.10809 0.07066 62 8D 0 -0.10870 -0.09096 -0.11575 -0.04220 0.13039 63 8D+1 0.10286 -0.15480 -0.04460 -0.29409 -0.00952 64 8D-1 0.03043 -0.14438 0.06379 -0.14002 -0.07666 65 8D+2 -0.17623 0.28305 -0.04173 -0.16995 -0.09574 66 8D-2 0.01690 -0.20251 -0.06942 0.15492 -0.13564 67 4 Cu 1S -0.00539 0.01051 0.04450 -0.13471 -0.18108 68 2S -0.00700 0.01648 0.07803 -0.21080 -0.32541 69 3S 0.16458 -0.21666 -1.06657 3.44381 4.01889 70 4PX -0.00588 0.00063 -0.00843 0.00773 0.00471 71 4PY 0.00981 -0.00219 -0.00203 0.00643 0.00090 72 4PZ 0.00776 -0.00148 0.00108 -0.00706 0.00241 73 5PX 0.09732 0.01752 0.31573 -0.60824 -0.76424 74 5PY -0.18665 0.07238 0.31415 -0.57429 -0.44283 75 5PZ -0.15185 0.01124 -0.30662 0.17632 0.02664 76 6PX -0.08738 0.04910 0.04528 -0.28941 -0.79244 77 6PY 0.09252 -0.03457 0.28530 -0.35485 -0.43565 78 6PZ 0.05006 -0.07840 -0.33086 0.23755 -0.03293 79 7D 0 -0.08122 -0.23230 -0.03970 -0.11483 0.06024 80 7D+1 0.07002 -0.00176 -0.03484 0.10580 -0.07495 81 7D-1 0.01299 -0.10952 -0.06780 0.13012 -0.06588 82 7D+2 -0.10484 -0.00659 0.04905 0.09845 -0.11699 83 7D-2 0.00988 -0.16123 0.04789 0.03905 -0.05202 84 8D 0 0.11197 0.33711 0.07215 0.15398 -0.10042 85 8D+1 -0.07644 -0.00289 0.07867 -0.13344 0.11408 86 8D-1 -0.01048 0.15667 0.09952 -0.19856 0.05901 87 8D+2 0.12161 0.01516 -0.06269 -0.12782 0.18765 88 8D-2 -0.00442 0.22698 -0.09585 -0.02683 0.11988 89 5 Cu 1S 0.00924 -0.00887 0.03559 0.13635 -0.00732 90 2S 0.01538 -0.01423 0.09307 0.24800 -0.01379 91 3S -0.27715 0.24682 -0.47274 -3.00724 0.09634 92 4PX 0.00361 -0.00435 0.00528 0.00172 0.00776 93 4PY -0.00678 0.00730 -0.00196 -0.00385 0.00236 94 4PZ -0.00648 0.00675 0.00331 0.00251 0.00026 95 5PX -0.03302 0.05414 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0.68492 0.68798 0.71525 0.72920 1 1 Cu 1S 0.11676 -0.12505 0.05153 -0.00374 0.00703 2 2S 0.19607 -0.17699 0.07947 -0.05193 -0.02387 3 3S -2.68656 3.43662 -1.14558 -0.80575 -0.55027 4 4PX 0.00096 -0.00431 -0.00322 0.00166 0.00884 5 4PY 0.00887 -0.01471 0.00716 0.00687 0.00003 6 4PZ -0.00875 0.00606 -0.00119 -0.00818 -0.00346 7 5PX -0.13205 0.62183 0.11359 0.13131 -0.35576 8 5PY -0.57837 0.70869 -0.35781 -0.18051 -0.18636 9 5PZ 0.54381 -0.36311 0.33251 0.40305 -0.03340 10 6PX 0.15740 0.41848 -0.01812 0.11018 0.00175 11 6PY -0.62515 0.25663 0.11211 0.22605 0.00855 12 6PZ 0.25424 -0.02278 0.34527 0.03604 -0.04387 13 7D 0 0.05294 0.09094 0.03888 0.00277 0.06855 14 7D+1 0.02630 -0.06392 -0.01464 0.14790 0.02348 15 7D-1 -0.07389 -0.11702 0.02188 0.12224 0.13483 16 7D+2 -0.08896 -0.04015 -0.08521 0.14476 0.08184 17 7D-2 -0.08234 0.05314 -0.05807 -0.08192 -0.01695 18 8D 0 -0.07621 -0.14260 -0.06393 -0.01664 -0.08700 19 8D+1 -0.02125 0.08549 0.02650 -0.22844 -0.03469 20 8D-1 0.13608 0.15458 -0.01763 -0.18260 -0.21492 21 8D+2 0.14795 0.06894 0.13603 -0.21046 -0.12035 22 8D-2 0.10210 -0.04476 0.08726 0.14286 0.01446 23 2 Cu 1S 0.00527 -0.01015 0.01640 -0.05710 0.03147 24 2S 0.02391 0.03536 0.05562 -0.07361 0.00166 25 3S -0.09348 0.71553 0.37929 1.28714 -1.48404 26 4PX 0.00352 -0.01225 -0.00858 -0.00602 0.01230 27 4PY -0.00134 -0.00917 -0.00190 0.00423 -0.00012 28 4PZ 0.00263 -0.00515 -0.00051 -0.00564 -0.00070 29 5PX -0.14725 0.44979 0.16122 0.32218 -0.46582 30 5PY -0.07216 0.29223 -0.19709 -0.17574 -0.25607 31 5PZ 0.02450 -0.05775 0.09113 0.53309 -0.07532 32 6PX -0.19211 -0.25748 -0.13427 0.13606 -0.11574 33 6PY -0.09359 0.24402 -0.08958 -0.10031 0.06917 34 6PZ 0.06955 -0.14024 0.00541 0.17358 0.04790 35 7D 0 -0.00709 -0.04397 -0.03179 -0.03136 0.01289 36 7D+1 0.11412 0.13946 0.05338 0.03531 -0.14506 37 7D-1 0.06434 -0.01779 0.08136 -0.09048 -0.05917 38 7D+2 0.09485 0.14032 0.10752 0.00324 -0.09565 39 7D-2 0.02286 -0.04314 -0.00874 0.10850 -0.17040 40 8D 0 0.02884 0.05232 0.05370 0.05977 -0.01904 41 8D+1 -0.15918 -0.21770 -0.07694 -0.02539 0.22062 42 8D-1 -0.12282 0.04043 -0.12225 0.13772 0.08660 43 8D+2 -0.15204 -0.19720 -0.15439 0.00156 0.15455 44 8D-2 -0.04048 0.05802 -0.01098 -0.17280 0.24199 45 3 Cu 1S 0.13156 -0.00364 0.03403 -0.09965 -0.00306 46 2S 0.25420 -0.01703 0.09852 -0.10537 0.00047 47 3S -3.13952 -0.12401 0.17830 2.84539 0.15675 48 4PX 0.00146 0.00431 -0.00226 -0.00532 0.00872 49 4PY -0.00273 -0.00008 0.00822 0.01103 0.00586 50 4PZ 0.00227 0.00296 -0.00747 -0.01242 0.00040 51 5PX -0.15898 0.30256 0.17021 0.20906 -0.39000 52 5PY 0.39250 0.24189 -0.17646 -0.45786 -0.23978 53 5PZ -0.52047 0.00343 0.01193 0.79062 -0.00131 54 6PX -0.32580 0.25920 0.02924 0.14471 -0.03770 55 6PY 0.70389 0.11465 0.09187 -0.24751 -0.04165 56 6PZ -0.44288 0.08328 -0.29286 0.07304 -0.01187 57 7D 0 0.09047 0.00893 0.06641 0.09718 0.03722 58 7D+1 0.05450 0.07411 0.03830 0.09390 0.08816 59 7D-1 -0.13280 0.06283 -0.07269 -0.21819 0.02825 60 7D+2 -0.03573 0.02189 -0.07054 0.01203 -0.02767 61 7D-2 -0.03528 0.00091 -0.10478 0.06855 0.00713 62 8D 0 -0.14943 -0.00468 -0.10950 -0.13133 -0.05911 63 8D+1 -0.09675 -0.07446 -0.05530 -0.13485 -0.15182 64 8D-1 0.23401 -0.07990 0.12257 0.31678 -0.05090 65 8D+2 0.05763 -0.01004 0.10077 -0.01538 0.03575 66 8D-2 0.05105 -0.01496 0.13760 -0.09961 -0.00284 67 4 Cu 1S -0.00211 0.02347 0.01650 -0.04541 -0.03124 68 2S 0.01237 -0.01887 0.03433 -0.06549 0.00199 69 3S 0.15231 -1.24803 0.12013 0.85182 1.50672 70 4PX -0.00088 -0.01774 -0.00001 -0.00144 0.00538 71 4PY -0.00340 -0.00740 0.00395 0.00575 0.01158 72 4PZ 0.00147 0.00138 0.00118 -0.00453 0.00189 73 5PX 0.10015 0.49120 0.22456 -0.00653 -0.44753 74 5PY 0.03369 0.35431 -0.16473 -0.33599 -0.28574 75 5PZ 0.06864 0.06948 0.13927 0.47703 0.03207 76 6PX 0.17671 0.02641 0.11390 -0.03062 0.00855 77 6PY 0.02658 -0.29379 -0.04573 -0.14987 -0.11520 78 6PZ 0.09203 0.04917 0.11492 0.18126 -0.04520 79 7D 0 -0.05743 0.09083 -0.02887 -0.00079 -0.07791 80 7D+1 -0.09022 0.06526 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6PX -0.55899 -0.08444 0.48865 0.28437 -0.36277 121 6PY 0.94305 0.18460 -0.82174 -0.49158 -0.21669 122 6PZ -0.26383 -0.07589 0.35698 0.49994 -0.01067 123 7D 0 -0.09179 0.00051 -0.11981 -0.08462 -0.00126 124 7D+1 -0.00259 -0.16826 -0.03540 0.00749 -0.01155 125 7D-1 0.04022 -0.10882 0.00658 -0.00952 -0.00622 126 7D+2 0.00956 0.12008 -0.01344 -0.03447 -0.00881 127 7D-2 0.01810 -0.04161 -0.05863 -0.06577 0.00611 128 8D 0 0.16664 0.00396 0.16906 0.14650 0.00107 129 8D+1 0.02051 0.26709 0.07126 -0.03062 0.00016 130 8D-1 -0.09342 0.17502 -0.03250 0.04458 -0.00259 131 8D+2 -0.00574 -0.16405 0.01608 0.05080 0.05372 132 8D-2 -0.00480 0.05541 0.07562 0.09491 -0.03010 133 7 Cu 1S -0.14698 0.00514 -0.06916 0.05374 -0.00033 134 2S -0.24033 0.00501 -0.09170 0.06703 -0.00077 135 3S 4.66760 -0.24233 2.65046 -2.19072 0.01023 136 4PX -0.00709 -0.00701 -0.00676 -0.00326 0.01590 137 4PY 0.01200 -0.00567 0.00861 0.00621 0.00958 138 4PZ 0.00759 -0.00039 0.00128 -0.01829 0.00048 139 5PX 0.37600 0.59085 0.41655 0.00281 -0.31767 140 5PY -0.66163 0.43470 -0.49690 -0.03960 -0.19306 141 5PZ -0.28861 0.00655 0.06665 0.73140 -0.00980 142 6PX 0.40080 0.37371 0.24460 -0.09317 -0.26270 143 6PY -0.70868 0.24455 -0.25929 0.13688 -0.16061 144 6PZ 0.18363 0.10853 -0.51343 0.32024 -0.00947 145 7D 0 -0.00803 -0.00725 0.01242 0.16615 -0.00773 146 7D+1 -0.07928 -0.02711 -0.01307 -0.05197 -0.13443 147 7D-1 0.14622 -0.00729 0.00786 0.07446 -0.08582 148 7D+2 0.01628 -0.07827 -0.00021 0.03013 0.17992 149 7D-2 0.00544 0.04594 0.03404 0.05153 -0.08865 150 8D 0 0.01068 0.01336 -0.03488 -0.25338 0.01158 151 8D+1 0.13320 0.03192 0.02958 0.07653 0.19717 152 8D-1 -0.24336 0.00578 -0.02792 -0.10938 0.12504 153 8D+2 -0.02763 0.15288 0.00166 -0.04596 -0.25581 154 8D-2 -0.00847 -0.08747 -0.06075 -0.07857 0.12543 155 8 C 1S 0.02784 0.00679 -0.03339 -0.02909 -0.00015 156 2S 0.24498 0.00992 -0.01332 0.23004 0.00431 157 3S -0.14400 -0.00744 0.01004 -0.52930 -0.00375 158 4PX -0.26710 0.00355 0.18702 -0.03338 0.04586 159 4PY 0.43501 0.08831 -0.29770 0.05335 0.02723 160 4PZ 0.04526 0.00226 -0.00766 0.04356 0.00107 161 5PX 0.21372 -0.33083 -0.40506 0.05829 -0.33903 162 5PY -0.31857 -0.35350 0.57830 -0.09609 -0.20469 163 5PZ 0.06025 0.05199 -0.39096 -0.00854 -0.01120 164 9 O 1S -0.00301 0.00027 -0.00168 0.00147 0.00005 165 2S 0.05371 0.00644 -0.02634 -0.04790 0.00005 166 3S -0.04517 -0.03063 0.16195 0.13863 -0.00001 167 4PX -0.29285 -0.44436 0.16553 0.10029 -0.37733 168 4PY 0.51877 -0.16762 -0.35530 -0.17251 -0.22855 169 4PZ 0.07253 0.08649 -0.62994 0.14181 -0.01292 170 5PX 0.25954 0.68957 -0.09466 -0.18615 0.63938 171 5PY -0.48743 0.33187 0.29286 0.31816 0.38525 172 5PZ -0.09272 -0.13254 0.97852 -0.22466 0.02170 136 137 138 139 140 V V V V V EIGENVALUES -- 0.74498 0.79120 0.79970 0.85142 0.85710 1 1 Cu 1S 0.00992 0.01914 -0.01254 0.02854 0.04224 2 2S -0.02190 0.03751 -0.02859 0.02665 0.07513 3 3S -0.36446 -0.56683 0.16892 -1.50353 -0.99054 4 4PX 0.00422 0.00178 0.00125 0.01495 0.00903 5 4PY -0.00654 0.00371 -0.00239 -0.00163 0.00755 6 4PZ -0.00881 -0.00322 0.00330 -0.00827 0.00898 7 5PX 0.10105 -0.09983 0.16439 -0.08415 0.03806 8 5PY -0.25427 0.07566 -0.02862 -0.09855 -0.15660 9 5PZ 0.07829 0.25986 -0.06738 0.34280 0.18119 10 6PX -0.02722 0.12956 0.01333 -0.17779 -0.01454 11 6PY -0.16241 -0.07194 -0.00192 -0.06285 -0.23672 12 6PZ -0.05559 -0.06073 0.18293 0.27052 0.10350 13 7D 0 0.01082 0.05319 -0.13572 -0.04593 -0.17311 14 7D+1 -0.13382 -0.04048 0.01053 -0.02887 0.03455 15 7D-1 0.08921 -0.08783 -0.01690 -0.00116 -0.08822 16 7D+2 0.01592 0.17269 -0.05296 -0.01232 0.09592 17 7D-2 -0.09657 -0.00136 -0.07790 0.06089 0.03784 18 8D 0 -0.00541 -0.09036 0.22035 0.06612 0.28008 19 8D+1 0.18631 0.07216 -0.02477 0.03992 -0.06920 20 8D-1 -0.12501 0.14625 0.04063 0.01126 0.18914 21 8D+2 -0.00931 -0.28653 0.08447 0.03594 -0.17118 22 8D-2 0.15018 0.01253 0.14018 -0.08385 -0.04671 23 2 Cu 1S 0.02073 -0.01528 -0.03890 -0.02260 -0.08465 24 2S 0.03355 -0.02868 -0.06072 -0.06729 -0.12851 25 3S -0.05112 0.20443 1.23103 -0.35478 2.48009 26 4PX 0.00018 -0.00282 -0.01035 0.01009 -0.00703 27 4PY 0.00182 -0.00279 -0.00063 -0.00334 -0.00186 28 4PZ -0.00598 0.00458 -0.00012 -0.00942 -0.01013 29 5PX 0.01764 0.07997 0.40817 -0.12281 0.47722 30 5PY -0.24008 -0.06689 -0.05468 0.02087 0.17994 31 5PZ 0.01079 0.13416 -0.05117 0.06195 0.16095 32 6PX -0.02006 -0.06301 -0.04338 -0.12318 0.45680 33 6PY 0.06106 -0.03018 0.22288 0.02941 0.20673 34 6PZ -0.06671 0.12954 0.15366 -0.04669 0.17715 35 7D 0 -0.07463 -0.07194 0.09682 -0.03123 -0.01001 36 7D+1 0.01875 0.08843 0.00785 -0.03712 -0.15390 37 7D-1 0.16065 0.00575 0.15756 0.13344 0.03993 38 7D+2 -0.01347 -0.11713 -0.08963 0.01664 0.06890 39 7D-2 -0.03690 -0.02036 0.02229 -0.01132 -0.10047 40 8D 0 0.11601 0.13791 -0.16665 0.05039 0.00046 41 8D+1 -0.03259 -0.12907 -0.00778 0.06677 0.27348 42 8D-1 -0.24742 -0.00335 -0.26044 -0.24558 -0.09057 43 8D+2 0.02838 0.19799 0.15160 -0.02191 -0.10564 44 8D-2 0.04327 0.02722 -0.03377 0.02518 0.19354 45 3 Cu 1S 0.02991 -0.04206 0.00449 0.03633 0.09047 46 2S 0.06569 -0.06058 0.00610 0.02916 0.15069 47 3S 0.00836 1.39835 -0.17362 -1.72577 -2.19149 48 4PX -0.00129 -0.00430 0.00809 0.00529 0.00016 49 4PY 0.00132 0.01137 0.00285 -0.01346 0.00500 50 4PZ -0.00273 -0.00489 0.00166 -0.00019 0.01287 51 5PX 0.07846 0.18140 0.11900 -0.10848 -0.05916 52 5PY -0.09850 -0.35725 0.11968 0.25692 0.24835 53 5PZ -0.06475 0.24079 -0.00438 -0.24143 -0.39884 54 6PX -0.01090 -0.08865 0.11366 -0.05037 -0.05340 55 6PY 0.00492 0.13530 0.04168 0.18180 0.24396 56 6PZ -0.00220 0.24250 -0.01916 -0.44269 -0.35132 57 7D 0 0.15821 0.14483 -0.02328 0.06898 0.10285 58 7D+1 -0.04890 -0.07828 -0.02688 -0.01338 0.03468 59 7D-1 -0.01151 0.09103 -0.05040 -0.04296 -0.05783 60 7D+2 -0.06223 0.04855 0.12745 -0.04238 0.11056 61 7D-2 -0.09914 0.01740 -0.07810 -0.04929 0.11982 62 8D 0 -0.25085 -0.22445 0.04440 -0.12823 -0.16528 63 8D+1 0.07457 0.13368 0.07369 0.01829 -0.07319 64 8D-1 0.02079 -0.15563 0.09919 0.08246 0.13485 65 8D+2 0.09102 -0.07765 -0.20459 0.07246 -0.18986 66 8D-2 0.14537 -0.02621 0.12055 0.08583 -0.21733 67 4 Cu 1S 0.01910 -0.00794 0.03817 -0.02972 -0.05633 68 2S 0.02571 -0.01798 0.06230 -0.07846 -0.08495 69 3S -0.10231 -0.06306 -1.12364 -0.19442 1.75990 70 4PX -0.00032 0.00143 -0.00672 0.00025 0.00188 71 4PY 0.00024 -0.00127 -0.00672 -0.01014 0.00755 72 4PZ -0.00628 0.00420 -0.00288 -0.00843 -0.01215 73 5PX 0.20915 0.02194 0.13362 0.02199 -0.33839 74 5PY -0.14288 -0.03844 0.35899 0.08599 -0.18868 75 5PZ 0.02877 0.14052 0.10313 0.11320 -0.03582 76 6PX -0.01764 0.07396 0.15303 -0.00260 -0.35197 77 6PY 0.06392 0.00026 -0.15750 0.10772 -0.18234 78 6PZ -0.08024 0.11198 -0.15118 0.00407 0.04860 79 7D 0 -0.10104 -0.10732 -0.04037 -0.02462 0.05004 80 7D+1 -0.11269 0.00096 0.16320 -0.09306 0.03895 81 7D-1 0.08955 -0.08001 -0.03165 0.10542 0.19034 82 7D+2 -0.01704 0.00899 -0.09092 -0.00360 -0.04826 83 7D-2 -0.04052 -0.08345 0.08951 -0.00679 0.02004 84 8D 0 0.15761 0.18912 0.07149 0.04159 -0.10577 85 8D+1 0.17215 -0.02035 -0.26561 0.16960 -0.03769 86 8D-1 -0.13317 0.12203 0.05587 -0.19805 -0.32648 87 8D+2 0.00871 -0.01983 0.15277 0.00190 0.10301 88 8D-2 0.06362 0.14280 -0.15334 0.02335 -0.02334 89 5 Cu 1S 0.00726 0.01990 0.00748 0.04876 0.00008 90 2S -0.02967 0.04112 0.01868 0.06254 0.00456 91 3S -0.33733 -0.51690 -0.06904 -1.94961 0.13033 92 4PX 0.00500 -0.00346 -0.00044 -0.00524 -0.01018 93 4PY -0.00742 0.00116 0.00218 -0.01159 -0.00793 94 4PZ -0.00926 -0.00369 -0.00215 -0.01226 0.00878 95 5PX 0.14909 -0.05417 0.05115 0.13347 -0.11005 96 5PY -0.21504 0.12364 0.12987 -0.01267 -0.12883 97 5PZ 0.07444 0.26371 0.04980 0.41733 0.03995 98 6PX 0.15974 -0.00753 0.03182 0.15388 0.02001 99 6PY -0.10145 -0.11982 0.05276 0.06902 -0.03968 100 6PZ -0.04047 -0.11563 -0.15538 0.37182 -0.04417 101 7D 0 0.04597 0.10482 0.11207 -0.02350 -0.14253 102 7D+1 -0.03500 0.06433 -0.04566 0.05749 0.10246 103 7D-1 0.15750 0.01757 0.00498 -0.00750 0.07886 104 7D+2 -0.07445 -0.07028 0.06874 0.05663 -0.04427 105 7D-2 -0.04154 0.16397 0.05593 0.03045 0.08020 106 8D 0 -0.05398 -0.17623 -0.18230 0.03413 0.22491 107 8D+1 0.05092 -0.10574 0.07914 -0.09765 -0.17987 108 8D-1 -0.21904 -0.03446 -0.01992 0.03184 -0.11015 109 8D+2 0.11131 0.12436 -0.12811 -0.08740 0.11464 110 8D-2 0.07440 -0.26601 -0.09250 -0.03809 -0.12689 111 6 Cu 1S 0.04940 -0.03558 0.00040 -0.10622 0.01686 112 2S 0.15293 -0.05778 0.00091 -0.18358 0.03307 113 3S -1.77640 0.83030 -0.01836 4.55213 -0.78849 114 4PX -0.03511 -0.00079 -0.02226 0.01232 -0.00177 115 4PY 0.05612 0.00279 -0.01337 -0.02007 0.00318 116 4PZ 0.03826 -0.02918 -0.00079 -0.01043 0.00028 117 5PX 0.09623 0.31690 0.94214 0.45511 -0.11240 118 5PY -0.15345 -0.57407 0.56715 -0.71686 0.17467 119 5PZ -0.22599 0.89016 0.03106 -0.39315 0.13522 120 6PX 0.07860 -0.15752 -0.15364 -0.06568 0.00810 121 6PY -0.11485 0.26194 -0.09255 0.07060 0.02185 122 6PZ -0.32394 -0.00060 -0.00675 0.77071 -0.15352 123 7D 0 0.02274 0.19073 0.00662 -0.01489 -0.14998 124 7D+1 0.00387 -0.02855 0.11164 0.04676 0.00945 125 7D-1 -0.00660 0.03593 0.07223 -0.06123 0.17847 126 7D+2 0.00329 0.04938 -0.12997 0.05098 0.13747 127 7D-2 0.00747 0.08946 0.06387 0.09617 0.11663 128 8D 0 0.00599 -0.31069 -0.01084 -0.00420 0.28261 129 8D+1 0.01358 0.03426 -0.18307 -0.14999 -0.00320 130 8D-1 -0.02240 -0.03978 -0.11882 0.21559 -0.35431 131 8D+2 0.02794 -0.08950 0.21733 -0.15124 -0.24897 132 8D-2 0.05426 -0.16406 -0.10650 -0.29570 -0.19368 133 7 Cu 1S -0.04562 0.03819 0.00049 -0.02841 0.01071 134 2S -0.01356 0.03970 0.00079 -0.00859 0.00484 135 3S 2.29883 -1.18194 -0.01725 2.18741 -0.61682 136 4PX -0.00839 0.00656 0.01097 -0.00364 0.00102 137 4PY 0.01392 -0.01138 0.00665 0.00580 -0.00400 138 4PZ 0.00299 0.00364 0.00025 0.00845 -0.00091 139 5PX 0.28161 -0.20224 -0.21613 0.25903 -0.06199 140 5PY -0.45277 0.33933 -0.12816 -0.40996 0.16723 141 5PZ -0.34389 -0.01709 -0.00424 -0.39889 0.07647 142 6PX 0.23357 0.10776 0.56351 0.16012 -0.06014 143 6PY -0.39176 -0.21505 0.34386 -0.23495 0.01028 144 6PZ 0.09297 0.61312 0.01921 -0.37022 0.14388 145 7D 0 0.11424 0.17785 0.00638 0.00485 0.05671 146 7D+1 0.02666 -0.04277 0.10317 0.04530 -0.01773 147 7D-1 -0.04567 0.05892 0.06774 -0.07996 -0.02611 148 7D+2 0.06534 0.04193 -0.13529 0.04994 -0.04237 149 7D-2 0.12468 0.07605 0.06722 0.11247 -0.06383 150 8D 0 -0.16002 -0.25579 -0.00946 0.00416 -0.07283 151 8D+1 -0.05096 0.05972 -0.15477 -0.09165 0.02827 152 8D-1 0.08483 -0.08139 -0.10121 0.15769 0.01309 153 8D+2 -0.09982 -0.05574 0.18840 -0.09749 0.05480 154 8D-2 -0.19103 -0.10071 -0.09323 -0.21619 0.09508 155 8 C 1S 0.04584 0.00965 0.00021 -0.04409 0.01086 156 2S -0.92519 0.29587 -0.00388 1.49650 -0.29944 157 3S 1.13992 -0.45692 0.00524 -2.94661 0.61529 158 4PX 0.02271 0.03483 0.03750 0.17450 -0.03662 159 4PY -0.03099 -0.05802 0.02331 -0.28045 0.06223 160 4PZ -0.12451 -0.00015 0.00111 -0.11015 0.01462 161 5PX -0.08779 -0.09892 -0.79661 0.16001 -0.01846 162 5PY 0.11455 0.21111 -0.48331 -0.27666 0.08831 163 5PZ 0.60258 -0.76889 -0.02689 0.05888 -0.06322 164 9 O 1S -0.01032 -0.00544 -0.00002 0.01052 -0.00360 165 2S 0.02932 0.07810 -0.00010 0.02561 0.00926 166 3S -0.07613 0.00097 -0.00032 0.08554 -0.02686 167 4PX -0.01711 -0.06964 -0.39091 0.16603 -0.02848 168 4PY 0.01220 0.13550 -0.23592 -0.28986 0.08905 169 4PZ 0.32623 -0.30294 -0.01304 0.19832 -0.06560 170 5PX -0.06454 0.17810 0.81081 -0.04374 -0.00635 171 5PY 0.13492 -0.33750 0.49118 0.10471 -0.07813 172 5PZ -0.58093 0.65852 0.02737 -0.40444 0.14440 141 142 143 144 145 V V V V V EIGENVALUES -- 0.85926 0.86382 0.86766 0.87814 0.87923 1 1 Cu 1S -0.08784 0.11615 0.05836 -0.05656 0.04317 2 2S -0.14172 0.19455 0.09445 -0.07594 0.03803 3 3S 2.44178 -2.84159 -1.18457 1.06609 -1.21701 4 4PX 0.00464 0.00062 0.01580 0.00395 0.00683 5 4PY -0.01029 0.00102 0.00377 -0.00807 0.00446 6 4PZ 0.00651 -0.01442 0.00609 0.00636 -0.00854 7 5PX 0.27273 -0.26075 0.00537 0.11327 -0.25300 8 5PY 0.38238 -0.41557 -0.19598 0.22166 -0.21734 9 5PZ -0.22998 0.33988 0.25901 -0.25913 0.24392 10 6PX 0.10976 -0.33134 0.08267 0.40057 0.30672 11 6PY 0.41853 -0.38456 -0.11106 -0.09530 0.18950 12 6PZ -0.31763 0.29595 0.15646 0.29680 0.24122 13 7D 0 -0.02490 0.06652 0.04632 0.06061 0.04900 14 7D+1 -0.19629 0.01114 -0.05179 0.15431 -0.15925 15 7D-1 0.11380 -0.14732 0.05770 -0.11469 0.00061 16 7D+2 0.07184 0.13224 0.00283 0.10318 -0.12186 17 7D-2 -0.07188 0.06435 0.13106 -0.02988 -0.19298 18 8D 0 0.03589 -0.09503 -0.10909 -0.09367 -0.06504 19 8D+1 0.33953 -0.03256 0.06975 -0.27040 0.29067 20 8D-1 -0.21022 0.28430 -0.07648 0.19694 -0.01135 21 8D+2 -0.10913 -0.22849 0.00993 -0.18513 0.20894 22 8D-2 0.16846 -0.14080 -0.21880 0.04691 0.33254 23 2 Cu 1S 0.05128 -0.04771 -0.10434 -0.06968 -0.01517 24 2S 0.08163 -0.08845 -0.17001 -0.08079 -0.02505 25 3S -1.21277 1.17936 2.63748 1.66607 -0.15862 26 4PX 0.00319 -0.00427 -0.01149 -0.01365 0.00129 27 4PY 0.01374 -0.00730 0.00738 0.00182 -0.01062 28 4PZ -0.00722 0.01175 -0.00342 -0.00482 0.00230 29 5PX -0.22229 0.16239 0.52093 0.55265 0.05984 30 5PY 0.01693 -0.04196 0.22714 0.04945 0.00904 31 5PZ -0.22508 0.18935 0.07741 0.13253 0.00452 32 6PX -0.19236 0.33280 0.49615 -0.01979 -0.23875 33 6PY -0.02007 -0.02138 -0.00514 0.04728 -0.45706 34 6PZ -0.08427 0.09365 0.28017 -0.28462 0.30801 35 7D 0 0.05787 0.14398 -0.06870 0.13049 -0.03836 36 7D+1 -0.08664 0.00723 -0.07883 0.08403 -0.06438 37 7D-1 0.03676 0.15459 0.12556 -0.21683 -0.11691 38 7D+2 0.03755 0.01804 -0.14927 -0.04143 0.00067 39 7D-2 0.15150 -0.06676 0.03297 0.08649 0.11894 40 8D 0 -0.12698 -0.23937 0.11127 -0.23082 0.05862 41 8D+1 0.11915 0.03329 0.13654 -0.13746 0.10172 42 8D-1 -0.05069 -0.28296 -0.23168 0.38432 0.20952 43 8D+2 -0.08632 -0.02964 0.26724 0.07191 0.00151 44 8D-2 -0.24382 0.10315 -0.00594 -0.15434 -0.20969 45 3 Cu 1S 0.01686 -0.00420 0.09750 0.01223 -0.10437 46 2S 0.02899 -0.01057 0.17905 0.01556 -0.14440 47 3S -0.35902 0.05825 -2.32411 -0.31882 2.31055 48 4PX -0.01567 0.01291 0.00340 0.00700 -0.00308 49 4PY -0.00640 0.00590 -0.00583 0.00137 0.01025 50 4PZ 0.00088 0.00127 0.00144 0.00184 -0.01157 51 5PX -0.11402 0.15619 -0.07421 -0.07243 0.20038 52 5PY -0.01501 0.08566 0.23189 0.03986 -0.49413 53 5PZ -0.08110 0.02360 -0.33131 -0.06951 0.50799 54 6PX -0.12215 -0.04956 -0.18587 0.51508 0.14455 55 6PY -0.02139 -0.05625 0.40502 0.29956 -0.10198 56 6PZ -0.05790 0.00195 -0.43482 0.06525 -0.11212 57 7D 0 0.02085 0.05003 -0.14315 -0.02464 -0.01534 58 7D+1 -0.00999 0.17073 0.15927 -0.12124 0.03923 59 7D-1 0.00736 0.11252 -0.17411 -0.04634 -0.04056 60 7D+2 -0.12050 -0.05104 0.06298 -0.09766 0.11075 61 7D-2 0.11771 -0.01976 0.14213 0.04747 0.20227 62 8D 0 -0.03980 -0.08218 0.24079 0.03869 0.03265 63 8D+1 -0.02008 -0.26681 -0.29550 0.19606 -0.06411 64 8D-1 -0.02336 -0.18775 0.33697 0.07578 0.05622 65 8D+2 0.20186 0.12233 -0.11934 0.16216 -0.19547 66 8D-2 -0.19546 0.00966 -0.27340 -0.07593 -0.35284 67 4 Cu 1S -0.07456 0.06104 -0.10386 0.06822 0.00189 68 2S -0.11331 0.10556 -0.16758 0.07833 -0.00529 69 3S 2.03383 -1.63803 2.59663 -1.53436 -0.59223 70 4PX 0.01343 -0.00670 0.00079 -0.00828 0.00574 71 4PY -0.00243 -0.00136 0.01417 -0.01049 -0.01055 72 4PZ 0.00562 -0.01353 -0.00357 0.00142 0.00315 73 5PX -0.29777 0.18026 -0.49164 0.35328 0.05116 74 5PY -0.31114 0.23278 -0.30597 0.42089 0.06927 75 5PZ 0.19007 -0.14457 -0.05378 -0.01983 -0.01499 76 6PX -0.30593 0.22660 -0.30365 -0.12920 0.42983 77 6PY -0.23800 0.37214 -0.39173 -0.05519 -0.09179 78 6PZ 0.05452 -0.08345 0.17318 0.18278 0.44791 79 7D 0 -0.06141 -0.10127 -0.07394 -0.13531 -0.03084 80 7D+1 -0.01042 0.16554 -0.00974 -0.14524 0.13735 81 7D-1 -0.02404 -0.07244 0.09627 0.21907 0.03577 82 7D+2 -0.17267 0.02100 0.10557 -0.06442 0.06327 83 7D-2 -0.06564 0.02130 -0.14626 -0.03213 0.02373 84 8D 0 0.11795 0.17946 0.12586 0.24406 0.05098 85 8D+1 0.00874 -0.27262 0.04202 0.26194 -0.23401 86 8D-1 0.00816 0.16934 -0.16848 -0.38297 -0.04774 87 8D+2 0.27815 -0.03009 -0.14152 0.11495 -0.11246 88 8D-2 0.13863 -0.04641 0.27970 0.05789 -0.04181 89 5 Cu 1S 0.09179 -0.12191 0.04426 0.04555 0.05398 90 2S 0.15330 -0.20582 0.07091 0.06334 0.05354 91 3S -2.43959 2.84464 -0.87774 -0.85203 -1.36644 92 4PX -0.00874 0.00038 -0.01308 -0.00203 -0.00653 93 4PY 0.00934 -0.00122 -0.01149 0.00774 0.00012 94 4PZ -0.00237 0.01224 0.00450 -0.00483 -0.01053 95 5PX 0.38872 -0.42698 0.06510 0.13306 0.29902 96 5PY -0.06007 0.07069 -0.13527 -0.07392 0.04628 97 5PZ 0.32516 -0.42757 0.21860 0.23702 0.35174 98 6PX 0.38482 -0.41618 -0.03590 0.27481 -0.31937 99 6PY -0.21085 0.01890 -0.16304 0.44061 -0.07129 100 6PZ 0.35619 -0.37185 0.12863 -0.23847 0.09372 101 7D 0 -0.08045 -0.09413 0.04048 -0.04250 0.07227 102 7D+1 0.03991 -0.10393 -0.02021 0.00283 0.02067 103 7D-1 -0.23571 0.06343 0.05829 0.14916 0.12870 104 7D+2 0.05224 0.01540 0.13051 0.11763 -0.10636 105 7D-2 0.05215 -0.14994 0.02239 -0.06795 -0.23886 106 8D 0 0.13366 0.14872 -0.09569 0.05890 -0.11332 107 8D+1 -0.09504 0.20917 0.04040 -0.00064 -0.04041 108 8D-1 0.42115 -0.13656 -0.06740 -0.25083 -0.24387 109 8D+2 -0.10927 -0.00710 -0.21851 -0.20122 0.18251 110 8D-2 -0.11992 0.27296 -0.02699 0.12616 0.41656 111 6 Cu 1S 0.00544 -0.00474 0.00930 0.00007 -0.01584 112 2S 0.01073 -0.00922 0.02217 -0.00044 -0.01690 113 3S -0.28606 0.26141 -0.51192 -0.01809 0.83369 114 4PX -0.00047 0.00391 -0.00178 -0.01949 -0.00786 115 4PY 0.00076 0.00038 0.00547 -0.01215 0.01271 116 4PZ -0.00014 0.00087 -0.00366 -0.00055 -0.01476 117 5PX -0.06564 -0.14534 -0.05106 0.94812 0.54099 118 5PY 0.06863 -0.12574 -0.05198 0.58203 -0.87855 119 5PZ 0.04903 -0.08865 0.30592 0.02039 0.60957 120 6PX -0.03172 0.10975 0.00730 0.30850 0.09691 121 6PY -0.00822 0.05154 0.03859 0.19248 -0.17529 122 6PZ -0.05870 0.06928 -0.14019 0.00177 0.47163 123 7D 0 -0.07432 -0.01553 0.05434 -0.00227 0.08605 124 7D+1 -0.21568 -0.05917 -0.02120 0.01894 -0.02364 125 7D-1 -0.05653 -0.03815 -0.00838 0.01784 0.03018 126 7D+2 -0.09567 -0.01882 -0.01509 -0.13215 0.04531 127 7D-2 0.13411 0.02288 -0.01901 0.06998 0.09679 128 8D 0 0.13862 0.01571 -0.05653 0.00591 -0.13352 129 8D+1 0.40628 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0.10170 0.09468 -0.00620 0.11997 0.18101 16 7D+2 -0.13284 0.01780 0.11563 0.05676 0.07576 17 7D-2 0.11821 0.09319 -0.04879 0.02284 -0.15146 18 8D 0 -0.22236 -0.39400 -0.13299 0.09909 -0.03833 19 8D+1 -0.15718 0.06748 0.29132 0.03609 -0.09909 20 8D-1 -0.20776 -0.18946 0.01933 -0.24724 -0.38437 21 8D+2 0.25719 -0.03495 -0.28098 -0.10693 -0.13712 22 8D-2 -0.24200 -0.19599 0.08488 -0.03792 0.31961 23 2 Cu 1S -0.00380 0.00039 0.02488 0.11683 0.08434 24 2S -0.00695 -0.01433 0.01571 0.25224 0.17948 25 3S 0.10380 -0.12374 -0.66940 -1.29056 -0.98464 26 4PX -0.01009 -0.00111 0.00845 0.00988 0.00675 27 4PY 0.01549 0.00793 0.00431 0.00727 -0.00257 28 4PZ 0.01332 0.00628 0.00238 0.00073 0.00843 29 5PX 0.08743 -0.19977 -0.63405 -0.20125 -0.15432 30 5PY -0.08458 0.11862 0.43726 -0.10966 -0.00637 31 5PZ -0.08550 0.08322 0.24024 -0.02075 -0.11075 32 6PX -0.03863 -0.03036 -0.09904 -0.25613 -0.18270 33 6PY 0.05114 0.04911 0.09812 -0.11950 0.03133 34 6PZ 0.03040 0.00712 -0.08689 -0.05051 -0.08833 35 7D 0 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0.00424 0.04225 -0.01227 -0.23088 -0.02610 56 6PZ -0.00010 0.02899 -0.09818 0.24148 -0.01450 57 7D 0 0.02441 0.01715 -0.17365 -0.12281 0.02245 58 7D+1 0.14657 0.00493 0.05017 -0.08219 0.09219 59 7D-1 0.10664 0.00500 -0.07203 0.21892 0.03089 60 7D+2 -0.22591 -0.02231 -0.08260 0.04368 0.04925 61 7D-2 0.12442 -0.00715 -0.12498 0.01476 -0.04670 62 8D 0 -0.05101 0.00838 0.39044 0.24172 -0.04478 63 8D+1 -0.29824 -0.02484 -0.12052 0.18103 -0.18383 64 8D-1 -0.21741 0.00645 0.17309 -0.46050 -0.06051 65 8D+2 0.46203 0.06351 0.18897 -0.07243 -0.09752 66 8D-2 -0.25539 0.03703 0.28023 -0.00231 0.09095 67 4 Cu 1S 0.00639 -0.00235 0.01974 0.10982 -0.09106 68 2S 0.01169 -0.01947 0.00763 0.23799 -0.19376 69 3S -0.13122 -0.09039 -0.57180 -1.19604 1.06350 70 4PX 0.00989 -0.00562 -0.00855 -0.01122 0.00388 71 4PY -0.01633 0.00312 -0.00271 -0.00315 0.00810 72 4PZ -0.01393 0.00375 0.00099 -0.00212 -0.00715 73 5PX -0.04427 -0.01964 -0.08092 0.19060 -0.12389 74 5PY 0.13854 0.22834 0.70960 0.08918 -0.13980 75 5PZ 0.10232 0.11610 0.29455 0.03112 0.06933 76 6PX 0.02662 -0.02896 -0.03191 0.24452 -0.11041 77 6PY -0.05287 0.05220 0.17619 0.12807 -0.18196 78 6PZ -0.03678 0.00833 -0.05953 0.00701 0.05351 79 7D 0 0.05359 0.21711 -0.12987 -0.10569 0.04967 80 7D+1 0.04702 -0.00351 0.08344 0.01563 0.07087 81 7D-1 0.05265 0.12104 0.03060 -0.01295 0.09351 82 7D+2 -0.06799 -0.03478 -0.17438 0.09871 0.01356 83 7D-2 0.05720 0.14193 0.00351 0.16983 -0.13297 84 8D 0 -0.11353 -0.43742 0.28091 0.20903 -0.09581 85 8D+1 -0.07968 -0.00737 -0.19433 -0.05020 -0.12629 86 8D-1 -0.09783 -0.25281 -0.07031 0.04847 -0.20418 87 8D+2 0.11348 0.09455 0.40474 -0.20220 -0.01954 88 8D-2 -0.10966 -0.30434 -0.03647 -0.35044 0.27443 89 5 Cu 1S 0.01042 -0.00116 -0.01570 -0.03621 0.13503 90 2S 0.02152 -0.00898 -0.04546 -0.08417 0.29470 91 3S -0.12623 0.02730 0.23057 0.30516 -1.43292 92 4PX 0.00535 0.00807 -0.00527 -0.00301 -0.01112 93 4PY -0.00867 -0.01157 0.00910 -0.00767 0.00252 94 4PZ -0.00739 -0.01107 0.00502 0.00429 -0.00610 95 5PX -0.01252 -0.13130 -0.17797 -0.00211 0.17587 96 5PY 0.07616 0.25953 0.42998 0.06545 -0.05509 97 5PZ 0.06467 0.25780 0.38173 -0.02703 0.14804 98 6PX 0.03529 -0.00886 -0.06033 -0.04065 0.23604 99 6PY -0.00475 0.02962 0.22158 0.08385 -0.06530 100 6PZ -0.02121 0.00783 0.14915 -0.07336 0.20920 101 7D 0 -0.06697 0.17225 0.08903 -0.05807 0.03379 102 7D+1 0.14265 -0.08308 0.02983 -0.05028 0.21251 103 7D-1 0.05956 0.05490 0.10803 0.09332 -0.07886 104 7D+2 -0.19864 0.07932 -0.07653 0.03259 0.12549 105 7D-2 0.05930 0.05241 0.05599 0.05002 -0.02619 106 8D 0 0.15018 -0.34885 -0.23313 0.11206 -0.06773 107 8D+1 -0.29079 0.16518 -0.07663 0.10606 -0.43432 108 8D-1 -0.11464 -0.10859 -0.25020 -0.19105 0.18598 109 8D+2 0.40190 -0.16651 0.16226 -0.06236 -0.25736 110 8D-2 -0.11294 -0.10655 -0.15370 -0.09154 0.02735 111 6 Cu 1S 0.00039 0.01234 0.01319 0.00493 -0.00142 112 2S 0.00733 0.18590 0.41823 0.01984 -0.00503 113 3S 0.08561 2.09395 5.90661 0.11582 -0.02411 114 4PX 0.01464 0.01345 0.02952 -0.00019 0.00069 115 4PY 0.00765 -0.02341 -0.04708 0.00077 0.00027 116 4PZ 0.00017 -0.00284 -0.05017 -0.00130 0.00010 117 5PX 0.04351 -0.55682 -1.47421 0.00696 -0.04078 118 5PY 0.07435 0.87891 2.35106 -0.04796 -0.01649 119 5PZ 0.02958 0.69710 1.60068 0.07683 -0.01467 120 6PX -0.03724 -0.05462 -0.09567 0.00490 -0.11231 121 6PY -0.01776 0.08677 0.14011 -0.07990 -0.04966 122 6PZ 0.00452 0.13105 0.51802 0.12665 -0.02978 123 7D 0 0.00902 0.14056 -0.04620 -0.11008 0.03406 124 7D+1 0.08936 -0.03731 0.02727 -0.01456 0.15793 125 7D-1 0.06101 0.04567 -0.04213 0.11591 0.06099 126 7D+2 -0.12498 0.03492 -0.00655 0.09991 0.10400 127 7D-2 0.06496 0.05419 -0.00985 0.11557 -0.09898 128 8D 0 -0.01738 -0.27246 0.08038 0.22094 -0.06892 129 8D+1 -0.17216 0.07397 -0.05935 0.02827 -0.31832 130 8D-1 -0.11776 -0.09131 0.09157 -0.23124 -0.12302 131 8D+2 0.24260 -0.06549 0.00809 -0.20195 -0.21155 132 8D-2 -0.12617 -0.10127 0.00826 -0.23433 0.20113 133 7 Cu 1S 0.00229 0.05520 0.09504 0.00324 -0.00087 134 2S 0.00014 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154 8D-2 -0.10360 -0.00134 0.29894 -0.22612 0.18796 155 8 C 1S 0.00011 0.00358 -0.01089 0.00130 -0.00025 156 2S -0.00037 -0.02896 0.17388 0.02022 -0.00345 157 3S 0.01018 0.29239 0.42576 -0.07198 0.01548 158 4PX -0.04210 0.00788 0.04518 0.00229 0.01195 159 4PY -0.02657 -0.00654 -0.07285 0.00161 0.00556 160 4PZ -0.00362 -0.06314 -0.01590 -0.01476 0.00436 161 5PX -0.07471 -0.11434 -0.22887 -0.00181 0.03108 162 5PY -0.03553 0.18762 0.35699 0.02955 0.01306 163 5PZ -0.00015 0.05338 0.27274 -0.03781 0.00582 164 9 O 1S -0.00013 -0.00402 -0.00054 -0.00099 0.00016 165 2S 0.00144 0.03822 0.03703 0.00552 -0.00009 166 3S -0.00080 -0.01653 -0.02807 0.01602 -0.00533 167 4PX -0.02209 -0.01089 0.03293 -0.00293 -0.01000 168 4PY -0.01286 0.01759 -0.05879 0.00145 -0.00677 169 4PZ -0.00039 0.01207 0.06649 0.01394 -0.00468 170 5PX 0.07516 0.03296 0.03020 -0.00104 0.00660 171 5PY 0.04271 -0.05654 -0.03727 -0.00204 0.00228 172 5PZ 0.00236 -0.00176 -0.18046 -0.00798 0.00473 151 152 153 154 155 V V V V V EIGENVALUES -- 1.06165 1.09665 1.15576 1.16172 1.21976 1 1 Cu 1S -0.00260 0.00442 0.07553 0.08165 0.08466 2 2S -0.00599 0.04173 0.00353 0.01007 0.13697 3 3S 0.02777 0.25476 -2.70262 -2.79979 -0.78272 4 4PX -0.00023 0.00228 0.01528 0.01217 0.00781 5 4PY -0.00012 -0.00316 0.02752 0.02571 -0.00189 6 4PZ 0.00021 -0.00391 -0.01921 -0.02466 -0.01396 7 5PX 0.00163 -0.15931 0.29342 -1.16938 0.06753 8 5PY 0.00310 0.05218 -0.78976 -0.90554 -0.12383 9 5PZ -0.00298 -0.00651 1.14272 0.13318 0.38134 10 6PX 0.00202 -0.06059 0.12977 -0.20729 -0.12243 11 6PY 0.00429 -0.09358 -0.21368 -0.25732 -0.06133 12 6PZ -0.00389 -0.02515 0.18603 -0.02942 0.10773 13 7D 0 0.14637 0.03685 0.11148 -0.10250 0.04869 14 7D+1 0.06603 -0.02403 0.04303 -0.04239 0.02081 15 7D-1 0.10878 -0.11502 -0.17966 -0.04271 -0.03381 16 7D+2 -0.09902 0.05707 -0.03080 0.04208 0.03064 17 7D-2 0.13769 0.11374 -0.00587 0.17411 -0.02515 18 8D 0 -0.31417 -0.08006 -0.30839 0.29344 -0.12576 19 8D+1 -0.14093 0.08065 -0.13524 0.10497 -0.07522 20 8D-1 -0.23337 0.24833 0.47193 0.09192 0.10458 21 8D+2 0.21283 -0.12024 0.08097 -0.13015 -0.06781 22 8D-2 -0.29555 -0.25810 0.04452 -0.48000 0.06606 23 2 Cu 1S 0.00165 0.05798 -0.05793 0.11346 0.04181 24 2S 0.00332 0.12093 -0.02195 0.03000 0.09212 25 3S -0.02353 -0.67735 1.77824 -3.57926 0.08121 26 4PX 0.00008 0.01003 -0.02227 0.04378 0.00479 27 4PY 0.00016 0.00166 -0.00534 0.01089 -0.00717 28 4PZ 0.00046 0.00209 -0.00211 0.01648 -0.01301 29 5PX -0.00400 -0.30030 0.51738 -1.34692 -0.13818 30 5PY -0.00282 0.09968 -0.53418 -0.79284 -0.06041 31 5PZ -0.00376 -0.18956 1.03497 -0.12094 0.42454 32 6PX -0.00424 -0.09049 0.10033 -0.24632 -0.00861 33 6PY 0.00121 0.01626 -0.08644 -0.23788 0.00601 34 6PZ -0.00229 -0.11729 0.27795 -0.08265 -0.10047 35 7D 0 0.18851 -0.02869 -0.07324 -0.07482 -0.05847 36 7D+1 -0.08768 0.09528 -0.16369 0.02070 -0.09418 37 7D-1 0.02631 -0.10810 0.01851 -0.06496 -0.01649 38 7D+2 0.12768 0.13496 -0.03420 0.07793 0.00883 39 7D-2 0.06097 0.04765 0.09137 0.15136 -0.01098 40 8D 0 -0.40430 0.06294 0.21754 0.19585 0.16238 41 8D+1 0.18864 -0.22200 0.45908 -0.03551 0.24548 42 8D-1 -0.05593 0.23100 -0.06254 0.18616 0.02807 43 8D+2 -0.27388 -0.31367 0.09100 -0.18668 -0.02677 44 8D-2 -0.13107 -0.08967 -0.26255 -0.41013 0.00420 45 3 Cu 1S 0.00017 0.08160 -0.11778 -0.01741 0.01653 46 2S 0.00041 0.15164 -0.02417 -0.00332 0.06081 47 3S -0.00167 -1.13101 3.75604 0.55392 0.39229 48 4PX 0.00024 0.00310 -0.01205 -0.00406 0.00650 49 4PY 0.00012 -0.00853 0.03223 0.00318 -0.01083 50 4PZ 0.00004 0.01147 -0.03686 -0.00614 -0.01448 51 5PX -0.00445 -0.14582 0.45414 -1.06927 -0.11235 52 5PY -0.00232 0.30237 -0.76931 -0.71688 0.25042 53 5PZ -0.00073 -0.31891 1.24409 0.05151 0.30353 54 6PX -0.00054 -0.03771 0.04596 -0.23723 0.05451 55 6PY 0.00010 0.07414 -0.07522 -0.14271 -0.10367 56 6PZ -0.00016 -0.10754 0.33606 0.01838 -0.07462 57 7D 0 -0.02578 -0.01934 -0.03705 0.03029 -0.08311 58 7D+1 -0.11459 0.10570 -0.08645 0.15483 -0.01305 59 7D-1 -0.08500 -0.17594 0.11883 0.09344 0.01255 60 7D+2 0.17559 0.00116 -0.01635 0.10721 -0.06446 61 7D-2 -0.10123 0.03777 -0.01643 -0.10122 -0.08877 62 8D 0 0.05528 0.04267 0.08811 -0.08910 0.19324 63 8D+1 0.24561 -0.23816 0.23463 -0.44514 0.03864 64 8D-1 0.18221 0.39636 -0.30490 -0.26087 -0.02487 65 8D+2 -0.37658 0.00431 0.05893 -0.30167 0.17673 66 8D-2 0.21708 -0.07292 0.05910 0.28866 0.24031 67 4 Cu 1S -0.00190 0.04933 -0.02552 -0.12374 0.05112 68 2S -0.00383 0.10882 -0.01449 -0.03126 0.10188 69 3S 0.02742 -0.52019 0.74116 3.95673 -0.07731 70 4PX 0.00030 -0.00576 0.00662 0.03967 0.00408 71 4PY 0.00005 -0.00689 0.00626 0.03420 -0.00724 72 4PZ -0.00042 -0.00057 0.00443 -0.00679 -0.01186 73 5PX -0.00569 0.07087 0.34217 -1.36120 0.11468 74 5PY -0.00293 0.29617 -0.60552 -0.88342 0.03119 75 5PZ 0.00279 -0.14125 0.98814 0.09920 0.43561 76 6PX -0.00255 0.05249 0.05921 -0.34024 0.02443 77 6PY -0.00469 0.08888 -0.13706 -0.11593 0.05071 78 6PZ 0.00163 -0.10781 0.24954 0.08571 -0.08424 79 7D 0 -0.20364 -0.03385 -0.03427 0.05199 -0.01847 80 7D+1 0.02058 0.05529 0.13038 -0.06083 0.08358 81 7D-1 -0.07711 -0.10127 0.12912 0.07218 0.06367 82 7D+2 -0.01732 -0.03068 0.11354 -0.06322 -0.00539 83 7D-2 -0.12605 0.15966 0.00434 -0.13873 -0.01763 84 8D 0 0.43701 0.07955 0.10304 -0.12257 0.05761 85 8D+1 -0.04332 -0.10546 -0.36353 0.17700 -0.21739 86 8D-1 0.16546 0.22416 -0.37253 -0.19745 -0.17433 87 8D+2 0.03721 0.08678 -0.32335 0.17252 -0.01151 88 8D-2 0.27033 -0.36312 -0.00678 0.34819 0.03473 89 5 Cu 1S 0.00271 -0.00215 0.09387 -0.05357 0.08932 90 2S 0.00621 0.03170 0.00360 -0.00453 0.13995 91 3S -0.02895 0.36800 -3.37521 1.86458 -0.93123 92 4PX -0.00018 0.00296 -0.03248 0.01444 -0.00201 93 4PY -0.00006 -0.00381 0.00686 -0.00562 -0.00623 94 4PZ -0.00027 -0.00326 -0.03150 0.02000 -0.01673 95 5PX 0.00289 -0.00080 0.63702 -1.21592 0.08768 96 5PY -0.00136 0.14347 -0.65172 -0.65953 -0.12363 97 5PZ 0.00373 0.00746 1.22058 -0.08300 0.37807 98 6PX 0.00425 0.09972 0.16008 -0.29111 0.09684 99 6PY -0.00154 -0.01413 -0.23007 -0.09594 0.04792 100 6PZ 0.00464 -0.00359 0.17965 0.02579 0.15600 101 7D 0 -0.10031 0.06837 0.09692 0.09597 0.04009 102 7D+1 0.13778 0.11105 0.11472 -0.09863 0.00736 103 7D-1 0.03785 -0.04366 -0.14486 -0.07744 -0.02998 104 7D+2 -0.18780 0.05216 0.00890 -0.13610 -0.02519 105 7D-2 0.02492 0.08877 0.01056 -0.09520 0.02856 106 8D 0 0.21554 -0.15933 -0.25348 -0.28027 -0.09500 107 8D+1 -0.29521 -0.25574 -0.27793 0.25806 -0.02100 108 8D-1 -0.08072 0.07410 0.39502 0.22430 0.10552 109 8D+2 0.40312 -0.12199 -0.00329 0.38088 0.06291 110 8D-2 -0.05394 -0.18516 -0.02885 0.27562 -0.07173 111 6 Cu 1S -0.00005 0.02186 0.07671 0.00243 -0.02602 112 2S -0.00019 0.14840 0.21816 0.00596 -0.09280 113 3S -0.00143 0.41670 -0.38582 -0.01045 1.52276 114 4PX 0.00026 -0.00359 0.01362 -0.02953 0.00284 115 4PY 0.00014 0.00580 -0.02054 -0.01887 -0.00503 116 4PZ 0.00004 -0.00460 0.01896 0.00032 0.02417 117 5PX -0.00273 -0.57961 0.12806 -0.79187 -0.31863 118 5PY -0.00179 0.93062 -0.18062 -0.49326 0.52131 119 5PZ -0.00062 0.48356 1.04822 0.02253 0.07810 120 6PX -0.00186 -0.01326 0.16112 -0.22094 0.09015 121 6PY -0.00080 0.03129 -0.25017 -0.15261 -0.15796 122 6PZ -0.00070 -0.21218 0.09151 0.00027 0.37772 123 7D 0 0.00116 0.00039 -0.15744 -0.00217 0.01149 124 7D+1 0.00487 0.05955 0.08545 0.09117 -0.19000 125 7D-1 0.00227 -0.09411 -0.13939 0.05404 0.30032 126 7D+2 0.00014 0.03458 -0.01266 -0.14533 -0.09260 127 7D-2 -0.00121 0.07247 -0.03048 0.06811 -0.19619 128 8D 0 -0.00241 0.00338 0.46678 0.00655 -0.02066 129 8D+1 -0.01016 -0.10678 -0.21594 -0.27231 0.47842 130 8D-1 -0.00479 0.16809 0.35381 -0.16350 -0.75605 131 8D+2 0.00000 -0.05853 0.05702 0.43362 0.23253 132 8D-2 0.00237 -0.12348 0.13151 -0.20229 0.49314 133 7 Cu 1S 0.00001 -0.12840 -0.08214 -0.00223 0.07997 134 2S 0.00007 -0.31648 -0.21291 -0.00530 0.15456 135 3S 0.00029 0.90091 0.11265 0.00956 -0.45517 136 4PX -0.00033 -0.01134 0.01249 -0.02469 -0.00638 137 4PY -0.00018 0.01821 -0.01893 -0.01585 0.01004 138 4PZ -0.00002 0.00740 0.01738 0.00029 0.01812 139 5PX 0.00005 -0.01305 0.28849 -1.01651 0.08158 140 5PY -0.00018 0.02734 -0.42088 -0.64998 -0.12565 141 5PZ -0.00011 -0.19407 1.02982 0.01363 0.17532 142 6PX -0.00060 -0.00488 0.29905 -0.72330 -0.10336 143 6PY -0.00068 0.00982 -0.44601 -0.46468 0.16937 144 6PZ 0.00023 -0.09641 0.61272 0.00497 0.21475 145 7D 0 0.00122 -0.01159 0.11712 0.00136 0.00027 146 7D+1 0.00540 0.13169 -0.04572 -0.06919 0.11692 147 7D-1 0.00251 -0.20813 0.07383 -0.04288 -0.18525 148 7D+2 0.00116 0.07227 0.01616 0.10989 0.06661 149 7D-2 -0.00174 0.15232 0.03973 -0.05108 0.14210 150 8D 0 -0.00240 0.03787 -0.35475 -0.00414 -0.02005 151 8D+1 -0.01061 -0.28179 0.12374 0.21499 -0.26786 152 8D-1 -0.00496 0.44489 -0.20092 0.13296 0.42456 153 8D+2 -0.00227 -0.14924 -0.05655 -0.33607 -0.16032 154 8D-2 0.00337 -0.31523 -0.13582 0.15639 -0.34245 155 8 C 1S 0.00000 0.01499 -0.00480 -0.00040 -0.02793 156 2S -0.00016 -0.55174 -0.29469 -0.01103 0.30945 157 3S 0.00042 1.29703 0.32743 0.01345 -0.11479 158 4PX -0.00039 0.10743 0.02031 0.01109 -0.26073 159 4PY -0.00019 -0.17423 -0.03379 0.00849 0.42179 160 4PZ 0.00004 -0.04911 -0.01244 0.00076 0.12575 161 5PX -0.00032 -0.23450 -0.01703 -0.32847 -0.04109 162 5PY -0.00036 0.37364 0.04396 -0.19576 0.06698 163 5PZ 0.00000 0.21626 0.30347 0.00587 0.12657 164 9 O 1S 0.00000 0.00012 0.01669 0.00068 -0.00654 165 2S 0.00004 0.01186 -0.23191 -0.01026 -0.02839 166 3S -0.00015 -0.13130 0.23847 0.01249 0.29042 167 4PX -0.00061 -0.00088 0.04480 -0.10350 -0.05817 168 4PY -0.00033 0.00144 -0.06656 -0.06611 0.09633 169 4PZ -0.00020 -0.00561 0.04904 -0.00038 0.01210 170 5PX 0.00136 0.07456 -0.12429 0.28772 -0.04880 171 5PY 0.00076 -0.12057 0.18605 0.18690 0.07919 172 5PZ 0.00033 -0.02760 -0.17263 -0.00060 -0.03481 156 157 158 159 160 V V V V V EIGENVALUES -- 1.24819 1.24850 1.27510 1.27870 1.32532 1 1 Cu 1S -0.00515 -0.02751 -0.00134 0.00023 0.02087 2 2S -0.00898 -0.06952 -0.00660 -0.00026 0.09897 3 3S 0.03462 -0.48256 -0.00238 0.12027 0.69689 4 4PX 0.01871 0.01529 -0.00207 0.01328 0.01510 5 4PY 0.00167 0.00949 -0.00885 -0.02333 -0.00714 6 4PZ 0.01454 -0.02141 -0.01044 -0.01155 0.01984 7 5PX -0.09788 -0.27052 -0.04021 -0.23559 -0.22490 8 5PY -0.00748 -0.18430 0.15341 0.45017 0.49422 9 5PZ -0.09846 0.36918 0.13869 0.22014 -0.38840 10 6PX 0.07973 0.07984 0.02456 0.14272 0.56869 11 6PY 0.01629 -0.03887 -0.08867 -0.21940 -0.23445 12 6PZ 0.05043 -0.07135 -0.08072 -0.15709 0.20668 13 7D 0 -0.03336 0.06790 0.06263 0.13423 -0.04814 14 7D+1 -0.00777 -0.27227 -0.01652 -0.03319 0.02447 15 7D-1 0.02089 -0.06046 -0.01261 0.01148 0.06958 16 7D+2 0.00779 -0.10539 0.07632 0.22097 0.13854 17 7D-2 0.02985 0.02560 -0.01071 0.03079 0.06926 18 8D 0 0.07828 -0.17123 -0.17270 -0.35058 0.12021 19 8D+1 0.01678 0.70031 0.03822 0.08546 -0.10297 20 8D-1 -0.05463 0.15159 0.02424 -0.02841 -0.19095 21 8D+2 -0.01655 0.27446 -0.19586 -0.58999 -0.43065 22 8D-2 -0.07631 -0.06339 0.01566 -0.07766 -0.20307 23 2 Cu 1S 0.01049 0.02683 -0.00477 -0.00023 0.03562 24 2S 0.02935 0.06550 -0.01212 -0.00824 0.15823 25 3S 0.28213 0.35305 -0.10774 -0.16594 1.11963 26 4PX -0.01411 -0.02333 -0.00740 -0.00177 -0.01556 27 4PY 0.01416 -0.00732 0.01603 0.01866 0.00442 28 4PZ -0.01520 0.00798 0.02123 0.00527 -0.01496 29 5PX 0.27377 0.41151 0.12513 0.02545 0.55496 30 5PY -0.07662 0.02432 -0.36577 -0.28705 0.25944 31 5PZ 0.09545 -0.03146 -0.33786 -0.19089 0.55426 32 6PX -0.03353 -0.08414 -0.10786 -0.07151 0.10407 33 6PY 0.08055 0.01379 0.17685 0.12880 -0.13262 34 6PZ -0.03382 0.09729 0.17943 0.08111 -0.46629 35 7D 0 0.05790 0.12090 0.06362 0.01410 0.00060 36 7D+1 -0.03909 -0.00317 0.10378 0.05450 -0.10747 37 7D-1 -0.11270 -0.15867 0.14748 0.10599 -0.13335 38 7D+2 -0.11133 -0.16445 -0.08993 -0.05732 -0.04220 39 7D-2 0.05100 0.02232 0.10609 0.08467 -0.00296 40 8D 0 -0.14724 -0.31407 -0.15706 -0.05033 -0.01161 41 8D+1 0.09446 0.00987 -0.27436 -0.14162 0.30947 42 8D-1 0.29397 0.41351 -0.38936 -0.28306 0.44811 43 8D+2 0.28722 0.42084 0.24095 0.14124 0.12581 44 8D-2 -0.12486 -0.06271 -0.27933 -0.22478 0.01265 45 3 Cu 1S -0.03329 -0.01079 0.00393 0.00027 -0.00367 46 2S -0.08110 -0.02652 0.01673 -0.00082 -0.01641 47 3S -0.40840 -0.14568 0.20204 -0.02459 -0.11932 48 4PX 0.00156 0.02276 0.01158 -0.00998 0.02662 49 4PY -0.02232 0.00366 -0.01722 -0.00427 0.01270 50 4PZ 0.01302 0.00707 -0.02470 0.00039 0.00450 51 5PX -0.11182 -0.16971 -0.22398 0.04801 -0.40390 52 5PY 0.35146 0.06335 0.30033 0.00967 -0.17880 53 5PZ -0.24795 -0.09881 0.47389 -0.02530 -0.11838 54 6PX 0.02632 0.08378 0.13919 -0.05700 0.59063 55 6PY -0.10041 0.00249 -0.21841 -0.01558 0.33860 56 6PZ -0.01923 0.00040 -0.19555 0.00242 0.09854 57 7D 0 0.08537 0.03692 -0.26660 0.01069 0.03269 58 7D+1 -0.01232 0.03315 0.06846 -0.02608 0.10714 59 7D-1 -0.09502 -0.01652 -0.03604 -0.00937 0.04196 60 7D+2 -0.16091 -0.03263 -0.03474 -0.00506 0.07233 61 7D-2 -0.20462 -0.09646 -0.04047 0.00708 -0.07389 62 8D 0 -0.21948 -0.09508 0.70173 -0.03134 -0.09573 63 8D+1 0.03371 -0.08314 -0.18118 0.05449 -0.29594 64 8D-1 0.24040 0.04084 0.09294 0.01607 -0.11785 65 8D+2 0.41260 0.09234 0.08979 0.02365 -0.19448 66 8D-2 0.53150 0.24443 0.10383 -0.02309 0.20694 67 4 Cu 1S 0.02297 -0.01292 -0.00451 0.00039 -0.03604 68 2S 0.06041 -0.02989 -0.00830 0.00792 -0.16278 69 3S 0.45649 -0.09890 -0.06208 0.17238 -1.16013 70 4PX 0.00986 -0.01394 -0.01082 0.01630 -0.01035 71 4PY 0.02571 0.00172 0.01207 -0.01278 -0.01534 72 4PZ -0.00226 -0.01925 0.01972 -0.00608 0.00808 73 5PX -0.23293 0.12091 0.24844 -0.28629 0.68685 74 5PY -0.41827 0.08431 -0.25956 0.19689 0.33827 75 5PZ -0.03517 0.13608 -0.29679 0.19532 -0.36937 76 6PX -0.02407 -0.03863 -0.11016 0.09336 -0.20982 77 6PY 0.09861 -0.00477 0.15143 -0.14009 0.16997 78 6PZ 0.03936 -0.11571 0.16948 -0.10204 0.37902 79 7D 0 0.15111 -0.05682 0.00598 0.02054 -0.06376 80 7D+1 0.12791 -0.00450 -0.15671 0.11785 -0.15053 81 7D-1 -0.14031 0.07192 -0.02689 0.00019 0.01967 82 7D+2 0.08157 -0.00130 0.14607 -0.13707 0.03534 83 7D-2 -0.15148 0.05053 -0.02324 0.01485 0.06182 84 8D 0 -0.38858 0.15185 -0.00365 -0.04298 0.20438 85 8D+1 -0.33135 0.01606 0.41127 -0.31602 0.48520 86 8D-1 0.36642 -0.18283 0.07033 0.00333 -0.09507 87 8D+2 -0.20567 0.00883 -0.38581 0.36097 -0.11690 88 8D-2 0.38817 -0.12643 0.06594 -0.03016 -0.18131 89 5 Cu 1S -0.02341 0.02124 -0.00225 0.00131 -0.01483 90 2S -0.05427 0.05390 -0.00696 0.00530 -0.07324 91 3S -0.25148 0.38002 0.00917 -0.10861 -0.53286 92 4PX -0.01833 0.00064 0.00889 -0.01479 0.01007 93 4PY -0.01554 -0.00599 0.00023 0.02283 0.02035 94 4PZ -0.00714 0.02558 -0.00723 0.01266 -0.01667 95 5PX 0.19054 -0.13426 -0.11194 0.28993 0.08089 96 5PY 0.11611 -0.01764 0.05342 -0.43093 -0.49823 97 5PZ 0.21097 -0.37303 0.09965 -0.23651 0.34253 98 6PX -0.04605 -0.03708 0.05622 -0.13885 0.24028 99 6PY -0.09730 0.03051 -0.03737 0.23337 0.63198 100 6PZ -0.03506 0.08832 -0.05826 0.16752 -0.16907 101 7D 0 0.07730 -0.14123 0.05058 -0.14693 0.06719 102 7D+1 0.10594 -0.12712 -0.00161 0.02260 0.01748 103 7D-1 0.10995 -0.10034 0.00272 -0.05433 -0.07036 104 7D+2 0.04780 -0.01885 -0.03533 0.05076 -0.04390 105 7D-2 -0.07414 0.11745 0.04248 -0.21504 -0.13796 106 8D 0 -0.20138 0.35613 -0.13863 0.38484 -0.18240 107 8D+1 -0.26691 0.32765 0.01416 -0.05982 -0.06246 108 8D-1 -0.28120 0.26304 -0.00540 0.14270 0.17855 109 8D+2 -0.12328 0.04778 0.07766 -0.13867 0.11761 110 8D-2 0.19582 -0.30366 -0.11187 0.57313 0.42529 111 6 Cu 1S 0.00445 0.00069 0.00473 -0.00076 -0.00013 112 2S 0.01556 0.00265 0.01139 -0.00192 -0.00079 113 3S -0.12718 -0.00232 -0.08142 0.01254 -0.00973 114 4PX -0.00061 -0.00062 -0.00066 -0.00061 -0.01479 115 4PY 0.00151 -0.00035 0.00051 -0.00050 -0.00908 116 4PZ -0.00186 -0.00004 0.00034 0.00004 -0.00014 117 5PX 0.01761 0.02301 0.01635 -0.01598 0.75799 118 5PY -0.03963 0.01721 -0.02993 -0.00218 0.45338 119 5PZ 0.00676 0.00218 0.00324 -0.00891 0.01231 120 6PX 0.00643 -0.03583 0.00288 0.01393 0.30758 121 6PY -0.00215 -0.02546 -0.01114 0.00802 0.17956 122 6PZ -0.00164 0.00346 -0.00433 0.00588 0.01695 123 7D 0 -0.13956 -0.00836 -0.09879 0.02957 -0.00341 124 7D+1 -0.06600 0.16944 0.00087 0.11607 -0.08098 125 7D-1 0.07041 0.11366 0.08367 0.04878 -0.05229 126 7D+2 0.06832 0.15409 0.07736 0.06002 0.11246 127 7D-2 0.18063 -0.05874 0.09082 -0.06326 -0.05631 128 8D 0 0.38745 0.02386 0.27967 -0.08376 0.00975 129 8D+1 0.18745 -0.47010 -0.00128 -0.32993 0.23299 130 8D-1 -0.20264 -0.31666 -0.23903 -0.13824 0.15084 131 8D+2 -0.18837 -0.42834 -0.21865 -0.17023 -0.32676 132 8D-2 -0.49731 0.16361 -0.25584 0.17908 0.16326 133 7 Cu 1S -0.00532 0.00001 -0.00729 0.00058 -0.00146 134 2S -0.01018 -0.00009 -0.01484 0.00104 -0.00326 135 3S 0.02888 -0.00299 0.05177 -0.00647 0.00726 136 4PX 0.00047 -0.00019 -0.00008 0.00081 -0.03971 137 4PY -0.00106 -0.00029 0.00066 0.00024 -0.02371 138 4PZ -0.00041 0.00005 -0.00149 0.00025 -0.00175 139 5PX -0.00050 -0.00850 0.00168 -0.03602 1.60676 140 5PY 0.00808 -0.00304 -0.02650 -0.01439 0.95598 141 5PZ -0.01224 -0.00037 0.02202 -0.00689 0.06751 142 6PX 0.00427 0.00842 0.00458 -0.02154 -1.03733 143 6PY -0.01331 0.00570 -0.01676 -0.00689 -0.61741 144 6PZ -0.01312 -0.00086 -0.00495 -0.00465 -0.04737 145 7D 0 -0.06331 -0.00976 0.17293 -0.05698 0.01363 146 7D+1 -0.03420 0.05751 0.00415 -0.23039 0.18452 147 7D-1 0.05601 0.04668 -0.15262 -0.09258 0.12256 148 7D+2 0.02631 0.05182 -0.13145 -0.12397 -0.27698 149 7D-2 0.05568 -0.01379 -0.15231 0.12981 0.14100 150 8D 0 0.17334 0.02620 -0.47727 0.15902 -0.03909 151 8D+1 0.09157 -0.15847 -0.01355 0.64605 -0.52619 152 8D-1 -0.14888 -0.12783 0.42651 0.25872 -0.34957 153 8D+2 -0.07371 -0.14449 0.36652 0.34964 0.79256 154 8D-2 -0.15692 0.03893 0.42413 -0.36587 -0.40358 155 8 C 1S 0.00410 0.00043 0.00102 -0.00011 -0.00005 156 2S -0.04525 -0.00515 -0.02353 0.00553 0.00222 157 3S 0.03304 0.00517 -0.00421 -0.00239 -0.00700 158 4PX 0.01645 0.02305 0.00483 0.01334 0.05271 159 4PY -0.03268 0.01034 0.00169 0.00652 0.03333 160 4PZ -0.03446 -0.00342 -0.01787 0.00369 0.00186 161 5PX -0.00357 0.00178 -0.00642 -0.02466 -0.14422 162 5PY 0.00531 0.00357 -0.00692 -0.01450 -0.09117 163 5PZ -0.01118 0.00043 0.01626 -0.00501 -0.00474 164 9 O 1S -0.00057 -0.00010 0.00057 -0.00011 0.00001 165 2S 0.01135 0.00132 -0.01285 0.00282 -0.00034 166 3S -0.02896 -0.00250 0.01887 -0.00415 0.00098 167 4PX 0.00012 -0.00155 -0.00240 -0.00608 -0.01208 168 4PY -0.00103 -0.00087 -0.00294 -0.00378 -0.00739 169 4PZ 0.00446 0.00125 0.00833 -0.00098 -0.00016 170 5PX 0.01054 -0.00729 -0.00111 0.01637 0.03303 171 5PY -0.01264 -0.00598 0.01619 0.00594 0.02152 172 5PZ 0.00534 -0.00123 -0.01268 0.00174 0.00077 161 162 163 164 165 V V V V V EIGENVALUES -- 1.32683 1.33927 1.34344 1.35089 1.64009 1 1 Cu 1S -0.00322 0.01406 0.00222 0.00385 -0.11377 2 2S -0.06206 0.05298 0.00672 -0.04687 -0.23504 3 3S -0.75727 0.18603 0.01982 -0.83715 -0.37869 4 4PX 0.01837 0.00431 -0.01273 0.01982 0.00621 5 4PY 0.00844 -0.00036 -0.00114 0.00374 0.00485 6 4PZ 0.00330 0.01127 -0.00802 -0.00504 0.00013 7 5PX -0.21796 0.16109 1.36178 -0.65238 -0.25180 8 5PY -0.64734 -0.34190 0.07355 0.16205 -0.20895 9 5PZ -0.10630 -0.61128 0.88038 0.53541 0.05532 10 6PX 0.16538 -0.00016 -2.33127 0.44005 0.25140 11 6PY 0.36882 0.25653 -0.12227 -0.19129 0.29557 12 6PZ 0.47353 0.49348 -1.53914 -0.08894 0.03119 13 7D 0 -0.11918 -0.11901 0.13876 0.07314 -0.01673 14 7D+1 -0.05644 0.10900 0.07548 -0.16008 -0.05555 15 7D-1 0.00811 0.03674 -0.09293 0.02924 0.00166 16 7D+2 -0.09534 -0.07315 -0.06688 0.06823 -0.01764 17 7D-2 0.04926 0.04387 -0.15576 0.05924 0.02223 18 8D 0 0.34802 0.36380 -0.43475 -0.22119 0.05866 19 8D+1 0.18196 -0.33165 -0.23722 0.49274 0.17698 20 8D-1 -0.02600 -0.09991 0.29209 -0.08147 -0.01123 21 8D+2 0.32482 0.21628 0.20905 -0.19452 0.06077 22 8D-2 -0.12965 -0.12315 0.48789 -0.16258 -0.06740 23 2 Cu 1S 0.02528 0.00881 -0.00504 0.01978 -0.31522 24 2S 0.08098 0.05495 -0.01206 0.05718 -0.65067 25 3S 0.34625 0.67945 0.01606 0.09753 0.40083 26 4PX -0.00701 -0.01104 0.00139 -0.00373 0.00468 27 4PY -0.01918 0.00654 0.01139 -0.01476 -0.00720 28 4PZ 0.01316 -0.00192 -0.01165 0.01140 0.00407 29 5PX 0.18213 0.67179 -0.12021 0.27620 -0.23042 30 5PY 0.49138 -0.56903 -1.12975 0.05871 0.01063 31 5PZ -0.00682 -0.39118 1.18205 -0.32314 -0.33265 32 6PX 0.01388 -0.29419 0.21677 -0.23215 0.12999 33 6PY -0.57514 0.38576 1.91535 -0.17215 -0.24278 34 6PZ 0.25143 0.31601 -2.04670 0.39907 0.22898 35 7D 0 0.03716 0.07805 -0.10862 0.10378 -0.00575 36 7D+1 0.03836 0.07422 -0.15734 0.06637 0.04608 37 7D-1 -0.07749 0.03191 0.00774 -0.00338 0.01951 38 7D+2 0.00422 -0.16013 -0.03339 -0.04418 0.03476 39 7D-2 -0.12379 0.12923 0.16576 -0.02163 -0.01946 40 8D 0 -0.10884 -0.24519 0.33930 -0.29974 0.00813 41 8D+1 -0.09662 -0.22619 0.49270 -0.20117 -0.15338 42 8D-1 0.24673 -0.08901 -0.02511 0.02147 -0.05408 43 8D+2 -0.01594 0.48067 0.10327 0.14387 -0.10211 44 8D-2 0.34427 -0.39045 -0.51709 0.04652 0.05659 45 3 Cu 1S 0.05137 -0.00013 0.00068 0.01269 -0.38340 46 2S 0.18673 -0.00403 0.00139 0.08249 -0.78357 47 3S 0.95998 -0.10013 -0.00587 1.02761 0.94102 48 4PX -0.00036 0.01043 0.01530 -0.00219 0.00213 49 4PY 0.00842 0.00389 0.00807 0.01087 -0.00204 50 4PZ -0.01617 0.00134 0.00179 -0.00846 -0.00222 51 5PX -0.11313 -0.18973 -1.45638 0.41227 0.00740 52 5PY -0.04452 0.02551 -0.76421 -0.85573 0.00382 53 5PZ 0.91324 0.01778 -0.16955 -0.03050 -0.30021 54 6PX 0.27470 0.17205 2.47763 -0.17085 0.11883 55 6PY -0.32823 0.02763 1.30784 0.40953 -0.14635 56 6PZ -0.43719 -0.02301 0.29156 0.18728 -0.06475 57 7D 0 -0.19658 -0.00676 0.03708 0.10705 0.02447 58 7D+1 0.03650 0.06258 0.19077 -0.02795 0.01273 59 7D-1 0.02901 0.02429 0.08268 0.07699 -0.03347 60 7D+2 0.02464 -0.01314 0.11198 0.11160 -0.01468 61 7D-2 0.02097 -0.02318 -0.10462 0.14051 -0.01989 62 8D 0 0.60797 0.02350 -0.11541 -0.32049 -0.07805 63 8D+1 -0.12543 -0.17242 -0.59361 0.07729 -0.04369 64 8D-1 -0.06875 -0.06381 -0.25711 -0.22077 0.10632 65 8D+2 -0.08829 0.03157 -0.34919 -0.35120 0.03498 66 8D-2 -0.09293 0.07377 0.32576 -0.44774 0.04622 67 4 Cu 1S 0.01959 -0.01530 0.00366 0.01918 -0.29188 68 2S 0.05674 -0.07116 0.00850 0.04220 -0.60316 69 3S 0.19474 -0.64194 -0.01681 -0.15740 0.27965 70 4PX 0.01549 -0.00239 0.00771 0.01096 0.00222 71 4PY -0.00830 -0.01269 -0.00651 -0.01029 -0.00874 72 4PZ 0.01788 -0.00153 0.01264 0.01396 0.00458 73 5PX -0.37324 -0.17187 -0.76944 -0.13950 0.16651 74 5PY 0.12926 0.86823 0.66168 0.05293 0.24782 75 5PZ -0.18285 0.51968 -1.28477 -0.31295 -0.29167 76 6PX 0.36598 0.19597 1.30577 0.24638 0.05564 77 6PY -0.30084 -0.46237 -1.11012 -0.04021 -0.26689 78 6PZ 0.38484 -0.39327 2.22397 0.43180 0.26568 79 7D 0 0.02604 -0.05927 0.04855 0.06113 -0.02198 80 7D+1 -0.02452 0.07661 -0.13804 -0.06409 -0.04360 81 7D-1 -0.08196 0.10077 -0.13434 -0.06103 -0.01710 82 7D+2 -0.11008 -0.19112 -0.15912 -0.04002 -0.02825 83 7D-2 -0.02547 0.08498 0.00674 -0.00968 0.03121 84 8D 0 -0.08305 0.18443 -0.15175 -0.17131 0.06207 85 8D+1 0.05125 -0.22813 0.43142 0.17984 0.13937 86 8D-1 0.23277 -0.31121 0.42100 0.18759 0.06616 87 8D+2 0.30835 0.57586 0.49635 0.10260 0.08339 88 8D-2 0.06769 -0.25390 -0.02057 0.03251 -0.09520 89 5 Cu 1S -0.00260 -0.01235 -0.00167 -0.00040 -0.08160 90 2S -0.06629 -0.04352 -0.00465 -0.06326 -0.16714 91 3S -0.84708 -0.11803 -0.00995 -0.86956 -0.46953 92 4PX -0.01621 0.00523 -0.00928 -0.01182 -0.00682 93 4PY -0.00780 0.00644 -0.01053 -0.01104 -0.00082 94 4PZ -0.00290 -0.00909 0.00564 -0.01154 -0.00118 95 5PX 0.70603 -0.27194 0.96580 0.08848 0.25578 96 5PY -0.28342 0.13088 1.15059 0.59610 0.05370 97 5PZ 0.01748 0.46913 -0.61505 0.73962 0.12159 98 6PX -0.45764 0.27587 -1.65524 -0.02277 -0.36326 99 6PY 0.14758 0.00209 -1.98123 -0.45516 0.01877 100 6PZ 0.39940 -0.38186 1.06936 -0.23931 -0.05936 101 7D 0 -0.09478 0.11782 -0.11799 0.14420 0.00543 102 7D+1 0.06826 0.03265 0.04101 0.05687 0.03288 103 7D-1 0.03360 0.03497 0.14313 0.14841 0.03964 104 7D+2 0.07587 -0.07408 0.13239 0.01951 0.02145 105 7D-2 -0.11206 0.01501 0.09372 0.05002 -0.02541 106 8D 0 0.27662 -0.35889 0.36913 -0.43918 -0.01218 107 8D+1 -0.20477 -0.09031 -0.12803 -0.17695 -0.10072 108 8D-1 -0.10719 -0.11087 -0.44923 -0.45378 -0.13125 109 8D+2 -0.22677 0.20882 -0.41499 -0.04977 -0.06726 110 8D-2 0.38335 -0.04469 -0.29316 -0.13218 0.08822 111 6 Cu 1S -0.01963 0.00074 -0.00005 0.00062 0.33581 112 2S -0.05479 0.00143 -0.00010 -0.00542 0.77499 113 3S 0.11393 -0.00823 -0.00412 0.97497 -1.01559 114 4PX 0.00147 -0.06465 -0.00199 -0.02065 0.00467 115 4PY -0.00104 -0.04002 -0.00141 0.03562 -0.00630 116 4PZ 0.00572 -0.00151 0.00019 -0.06252 -0.02043 117 5PX 0.08436 1.92836 0.05362 0.74433 0.15610 118 5PY -0.20098 1.18047 0.03993 -1.27378 -0.29274 119 5PZ 0.10264 0.03901 -0.00678 1.89572 0.36191 120 6PX 0.17627 -0.80161 -0.02082 -0.29184 0.28082 121 6PY -0.30913 -0.49534 -0.01622 0.49384 -0.47206 122 6PZ 0.52365 -0.01284 0.00259 -0.53154 0.28303 123 7D 0 -0.04490 -0.00670 0.00131 -0.30728 0.04389 124 7D+1 0.00093 -0.17847 -0.00434 0.02410 -0.00965 125 7D-1 0.00626 -0.11432 -0.00287 -0.02765 0.01479 126 7D+2 -0.02231 0.23879 0.00806 -0.09832 0.01358 127 7D-2 -0.03552 -0.11735 -0.00332 -0.19394 0.02664 128 8D 0 0.12853 0.01947 -0.00384 0.89394 -0.15885 129 8D+1 -0.00861 0.51749 0.01278 -0.09090 0.02139 130 8D-1 -0.00857 0.33162 0.00826 0.11326 -0.03220 131 8D+2 0.06097 -0.69878 -0.02328 0.27690 -0.05906 132 8D-2 0.09522 0.34294 0.00964 0.54481 -0.11659 133 7 Cu 1S -0.02243 0.00125 -0.00014 0.03197 0.18628 134 2S -0.05761 0.00340 -0.00029 0.06455 0.47461 135 3S 0.00273 0.00516 0.00038 -0.11998 0.85183 136 4PX -0.01367 0.02678 0.00057 0.00454 -0.01409 137 4PY 0.02538 0.01693 0.00047 -0.00795 0.02214 138 4PZ -0.04476 0.00046 -0.00015 0.01633 0.01994 139 5PX 0.56045 -0.81825 -0.02229 -0.10959 0.38430 140 5PY -1.03262 -0.51593 -0.01659 0.19036 -0.60468 141 5PZ 1.69351 -0.01200 0.00311 -0.32449 -0.55172 142 6PX -0.40157 0.80342 0.02378 0.13312 -0.02084 143 6PY 0.73043 0.49847 0.01735 -0.23257 0.04146 144 6PZ -1.15495 0.00980 -0.00328 0.50347 -0.29164 145 7D 0 0.33602 -0.00130 0.00023 -0.04468 -0.00788 146 7D+1 -0.07121 -0.08247 -0.00403 0.02462 0.00815 147 7D-1 0.09608 -0.05260 -0.00176 -0.03847 -0.01204 148 7D+2 0.09989 0.11631 0.00230 -0.00215 0.00103 149 7D-2 0.17866 -0.05537 -0.00031 -0.00125 0.00272 150 8D 0 -0.96202 0.00404 -0.00060 0.13545 0.02767 151 8D+1 0.20554 0.24181 0.01227 -0.06844 -0.02391 152 8D-1 -0.27818 0.15427 0.00546 0.10704 0.03512 153 8D+2 -0.28688 -0.34606 -0.00682 0.01203 -0.00074 154 8D-2 -0.51365 0.16503 0.00088 0.01523 -0.00383 155 8 C 1S -0.00302 -0.00008 0.00005 -0.01123 -0.02485 156 2S 0.08893 0.00078 -0.00141 0.37553 -0.00580 157 3S -0.13465 -0.00318 0.00302 -0.70343 -2.20297 158 4PX -0.01728 0.08923 0.00306 -0.06616 -0.19850 159 4PY 0.02320 0.05669 0.00123 0.10374 0.32323 160 4PZ 0.03996 0.00265 -0.00049 0.15429 0.06418 161 5PX 0.02098 -0.38323 -0.01138 -0.05747 -0.39347 162 5PY -0.01957 -0.23722 -0.00765 0.10545 0.67103 163 5PZ -0.04778 -0.01125 0.00112 -0.41704 -0.37511 164 9 O 1S -0.00196 0.00005 -0.00001 -0.00078 0.07267 165 2S 0.03022 -0.00121 0.00034 -0.00792 -1.71158 166 3S -0.02301 0.00186 -0.00121 0.17225 3.26888 167 4PX 0.00104 -0.03091 -0.00106 -0.00862 0.00223 168 4PY 0.00022 -0.01837 -0.00069 0.01410 -0.00067 169 4PZ -0.00421 -0.00132 -0.00008 -0.01872 -0.05372 170 5PX -0.00414 0.10517 0.00361 0.00346 -0.51989 171 5PY 0.00189 0.06587 0.00199 -0.00525 0.83841 172 5PZ 0.00378 0.00453 0.00016 0.05780 0.34319 166 167 168 169 170 V V V V V EIGENVALUES -- 1.79807 1.80481 1.82086 2.17677 2.24174 1 1 Cu 1S -0.48071 0.15214 -0.84777 0.74087 0.72238 2 2S -1.00351 0.33312 -1.79479 1.39790 1.36228 3 3S 0.13432 -0.03604 0.62406 -2.40780 -2.22754 4 4PX -0.00262 0.00291 0.01393 -0.00930 0.02359 5 4PY 0.01773 -0.00549 0.02601 0.01648 0.02046 6 4PZ -0.00662 0.01163 -0.01911 -0.02824 -0.00346 7 5PX -0.18595 -0.19172 -0.56865 0.36623 -0.20204 8 5PY -0.70353 0.20628 -1.05738 0.00655 -0.11160 9 5PZ 0.69924 -0.34534 0.77027 0.18100 -0.24388 10 6PX -0.14518 0.00918 0.14417 -0.86950 0.96443 11 6PY 0.20680 -0.10463 0.40740 -0.11339 -0.02938 12 6PZ -0.12806 0.13027 -0.33466 -0.83957 0.25050 13 7D 0 -0.00249 -0.04761 -0.01857 0.03934 -0.03383 14 7D+1 -0.01229 -0.04475 0.04553 0.02318 -0.01455 15 7D-1 -0.08505 0.04655 -0.08561 -0.03367 0.00346 16 7D+2 -0.07845 0.00023 0.02757 -0.02051 0.00962 17 7D-2 0.01775 0.03420 0.08172 -0.04385 0.04978 18 8D 0 -0.00429 0.14762 0.06100 -0.13580 0.11544 19 8D+1 0.05268 0.15118 -0.16411 -0.06943 0.06251 20 8D-1 0.28751 -0.14825 0.28649 0.10396 -0.02170 21 8D+2 0.24989 0.00109 -0.09735 0.07742 -0.02471 22 8D-2 -0.06394 -0.10789 -0.27092 0.16002 -0.16449 23 2 Cu 1S -0.09669 -0.75264 0.56473 0.96889 -0.50896 24 2S -0.19743 -1.59230 1.18566 1.82647 -0.95762 25 3S -0.47494 0.49185 -0.57529 -2.96445 1.42592 26 4PX 0.00203 0.02833 -0.01732 0.02885 -0.01811 27 4PY 0.01100 0.01591 -0.00011 0.00185 -0.01835 28 4PZ 0.00714 0.00623 -0.01327 0.02132 0.01470 29 5PX -0.52916 -1.22008 0.74863 0.09981 -0.12083 30 5PY -0.11070 -0.51053 0.00310 0.06235 0.30515 31 5PZ 0.00507 -0.25888 0.54806 -0.18503 -0.31855 32 6PX 0.09751 0.45570 -0.29561 0.27232 -0.13178 33 6PY 0.18988 0.27360 0.01862 -0.47134 -0.78612 34 6PZ -0.06322 0.05119 -0.22572 0.30796 1.00603 35 7D 0 -0.02475 -0.03396 -0.02844 0.01802 0.02998 36 7D+1 0.03201 0.02396 -0.08517 0.03410 0.04777 37 7D-1 0.06400 -0.05556 0.05467 -0.00443 -0.00202 38 7D+2 0.03208 0.03224 -0.03062 0.00647 0.02166 39 7D-2 0.03726 0.10472 0.00308 -0.01281 -0.05125 40 8D 0 0.09766 0.10844 0.09416 -0.06018 -0.09944 41 8D+1 -0.09472 -0.08264 0.27782 -0.10620 -0.16889 42 8D-1 -0.21212 0.19424 -0.19030 -0.00682 0.01410 43 8D+2 -0.12651 -0.10741 0.09867 -0.01820 -0.08246 44 8D-2 -0.11408 -0.34076 -0.00396 0.05603 0.17331 45 3 Cu 1S -0.37817 0.88304 0.00074 -0.09997 -1.06913 46 2S -0.79382 1.85536 0.00131 -0.18810 -2.01002 47 3S -0.34786 -1.14484 0.00651 0.29844 2.77697 48 4PX -0.00065 -0.00704 -0.00983 -0.02630 -0.00504 49 4PY -0.00522 0.01818 -0.00531 -0.01185 0.02141 50 4PZ 0.02306 -0.02290 -0.00124 -0.00614 -0.02784 51 5PX -0.28802 0.24042 0.33558 0.42542 -0.18584 52 5PY 0.74263 -0.65947 0.17171 0.23810 0.26233 53 5PZ -0.67105 1.01690 0.04011 0.05661 -0.04242 54 6PX 0.05124 -0.12449 -0.12608 -1.24657 -0.07228 55 6PY -0.21799 0.30209 -0.06242 -0.61551 0.39068 56 6PZ 0.31908 -0.40018 -0.01168 -0.15576 0.06878 57 7D 0 0.06092 0.01009 -0.01358 -0.01510 -0.01325 58 7D+1 0.01756 -0.05879 -0.06574 -0.07021 0.00496 59 7D-1 -0.06816 0.08765 -0.02808 -0.02911 0.00553 60 7D+2 -0.01939 -0.03324 -0.03951 -0.04014 -0.00951 61 7D-2 -0.01171 -0.06713 0.03713 0.03601 -0.02276 62 8D 0 -0.18470 -0.03773 0.04306 0.05200 0.05058 63 8D+1 -0.06305 0.19721 0.21001 0.23884 -0.03019 64 8D-1 0.23339 -0.28872 0.08955 0.10119 0.00172 65 8D+2 0.07673 0.12011 0.12537 0.13668 0.02918 66 8D-2 0.05511 0.23675 -0.11842 -0.12528 0.06855 67 4 Cu 1S -0.13679 -0.76328 -0.54754 -1.04085 -0.31682 68 2S -0.28065 -1.61549 -1.15001 -1.96246 -0.59501 69 3S -0.37685 0.49616 0.57108 3.23030 0.92694 70 4PX -0.01158 -0.02997 -0.01149 0.02552 0.01789 71 4PY 0.00380 -0.01499 -0.01511 0.02423 -0.00116 72 4PZ 0.00542 -0.00053 0.00965 -0.01107 0.02198 73 5PX 0.42003 1.15564 0.49080 0.02650 -0.14003 74 5PY 0.36851 0.73364 0.63955 0.06146 0.25968 75 5PZ 0.09266 0.01340 -0.39496 0.12568 -0.35563 76 6PX -0.19921 -0.49537 -0.18295 -0.05516 0.55498 77 6PY 0.05421 -0.20810 -0.26302 0.42262 -0.53517 78 6PZ -0.09407 -0.06385 0.16700 -0.06254 1.10150 79 7D 0 -0.04220 -0.02608 0.01099 -0.00216 0.01352 80 7D+1 -0.05064 0.06333 -0.00850 0.01166 -0.04456 81 7D-1 0.01792 -0.04199 -0.09516 0.02034 -0.04356 82 7D+2 0.03938 0.07422 -0.02286 0.00344 -0.05260 83 7D-2 0.04890 0.07293 0.04384 -0.00904 0.01386 84 8D 0 0.15037 0.08195 -0.03930 0.00505 -0.04303 85 8D+1 0.15846 -0.21358 0.01780 -0.05470 0.15075 86 8D-1 -0.07424 0.14774 0.31769 -0.04778 0.15161 87 8D+2 -0.11510 -0.23903 0.07042 -0.01761 0.18303 88 8D-2 -0.17427 -0.24087 -0.14401 0.01975 -0.05463 89 5 Cu 1S -0.48583 0.16098 0.85558 -0.56192 0.84837 90 2S -1.01341 0.35139 1.81052 -1.06020 1.59853 91 3S 0.17133 -0.04825 -0.62330 1.83884 -2.66345 92 4PX -0.01177 0.00107 0.02566 -0.00299 -0.02908 93 4PY 0.01202 -0.00676 -0.00535 -0.02134 -0.00404 94 4PZ -0.00710 0.01149 0.02366 0.02448 -0.01522 95 5PX 0.56987 -0.00735 -1.05191 0.27542 0.20430 96 5PY -0.30211 0.30575 0.21421 0.34499 0.06327 97 5PZ 0.75585 -0.33395 -0.96449 -0.14969 -0.16542 98 6PX -0.08813 0.06711 0.36196 -0.82736 -0.38893 99 6PY 0.21945 -0.06867 -0.15229 -0.87770 -0.68943 100 6PZ -0.07755 0.14193 0.38923 0.67418 -0.04721 101 7D 0 0.01060 -0.03736 0.01571 -0.03982 -0.01993 102 7D+1 0.07598 0.00716 -0.06920 0.00951 0.02423 103 7D-1 -0.05168 0.06906 0.07687 0.05194 0.01044 104 7D+2 0.02920 0.03827 -0.04897 0.04501 0.03405 105 7D-2 -0.06606 -0.00021 -0.06315 0.03186 0.01794 106 8D 0 -0.05075 0.11294 -0.05519 0.13812 0.06602 107 8D+1 -0.25995 -0.02566 0.22511 -0.03732 -0.07905 108 8D-1 0.16564 -0.22567 -0.26535 -0.16838 -0.05064 109 8D+2 -0.09730 -0.12152 0.16003 -0.15772 -0.11508 110 8D-2 0.20959 0.00470 0.21694 -0.11844 -0.04732 111 6 Cu 1S 0.06400 0.00379 -0.00337 -0.00327 0.14893 112 2S 0.25057 0.03137 -0.00854 -0.00717 0.26739 113 3S 3.08623 0.69577 -0.01928 -0.01106 -0.33174 114 4PX 0.03531 0.00724 -0.00044 -0.03351 0.02373 115 4PY -0.05622 -0.01104 0.00071 -0.01981 -0.04056 116 4PZ -0.03991 -0.00899 0.00043 -0.00060 0.02801 117 5PX -1.23281 -0.26431 -0.00827 0.47177 -0.54177 118 5PY 1.95987 0.41759 -0.03294 0.27351 0.91069 119 5PZ 1.34012 0.26500 -0.01226 0.00496 -0.37981 120 6PX -0.14887 -0.04125 -0.03178 0.38367 -0.23349 121 6PY 0.24134 0.10002 -0.01359 0.22627 0.40874 122 6PZ 0.22084 -0.00605 -0.01186 0.01315 -0.56926 123 7D 0 -0.03589 0.02172 0.00690 -0.00110 0.02665 124 7D+1 -0.01014 0.00352 0.04052 -0.02281 -0.00933 125 7D-1 0.02315 -0.02666 0.01694 -0.01472 0.01305 126 7D+2 -0.01331 -0.03099 0.02723 0.02671 0.00059 127 7D-2 -0.03118 -0.04106 -0.02379 -0.01279 0.00058 128 8D 0 0.13337 -0.08786 -0.02740 0.00367 -0.08202 129 8D+1 0.06229 -0.00764 -0.15850 0.07645 0.04193 130 8D-1 -0.12579 0.09424 -0.06628 0.04926 -0.06050 131 8D+2 0.06325 0.12035 -0.10437 -0.08665 0.00960 132 8D-2 0.14498 0.16209 0.09128 0.04129 0.02106 133 7 Cu 1S 1.10786 0.23923 -0.01243 -0.00121 0.00665 134 2S 2.26989 0.48968 -0.02613 -0.00186 0.01821 135 3S -2.41506 -0.50531 0.01441 0.01628 -0.04220 136 4PX -0.01144 -0.00251 0.00023 -0.02184 0.00467 137 4PY 0.01806 0.00380 -0.00049 -0.01312 -0.00869 138 4PZ 0.01025 0.00208 -0.00011 -0.00062 0.02240 139 5PX 0.37549 0.07299 -0.05114 0.13299 -0.03920 140 5PY -0.59794 -0.08191 -0.00654 0.07508 0.06592 141 5PZ -0.19739 -0.10503 -0.00493 0.00291 -0.10885 142 6PX -0.34621 -0.07441 0.02272 -0.67593 0.24360 143 6PY 0.54265 0.09637 -0.00198 -0.40945 -0.43040 144 6PZ 0.31355 0.08984 0.00960 -0.02600 0.71576 145 7D 0 0.01964 0.03824 0.00942 0.00168 -0.04395 146 7D+1 -0.00974 0.00536 0.05267 0.02855 0.00946 147 7D-1 0.02094 -0.03158 0.02168 0.01868 -0.01378 148 7D+2 0.01046 -0.02896 0.03524 -0.04591 -0.01445 149 7D-2 0.01640 -0.03547 -0.03223 0.02301 -0.02690 150 8D 0 -0.07112 -0.14321 -0.03572 -0.00554 0.14427 151 8D+1 0.05513 -0.01593 -0.19834 -0.09409 -0.02630 152 8D-1 -0.10812 0.11232 -0.08139 -0.06149 0.03795 153 8D+2 -0.02780 0.11098 -0.13261 0.15272 0.05090 154 8D-2 -0.03742 0.13827 0.12062 -0.07676 0.09542 155 8 C 1S -0.00304 -0.00061 0.00010 0.00001 -0.00034 156 2S -0.07449 -0.01075 0.00092 -0.00036 -0.17333 157 3S 1.83702 0.41040 -0.00668 -0.00857 1.49703 158 4PX 0.02102 0.00530 0.00272 0.07352 0.04368 159 4PY -0.03664 -0.01118 0.00016 0.04502 -0.06800 160 4PZ 0.04780 0.01452 -0.00003 0.00187 -0.08271 161 5PX 0.01410 0.01061 0.02088 -0.45503 0.33791 162 5PY -0.02891 -0.02431 0.00670 -0.27281 -0.58423 163 5PZ 0.12107 0.04144 0.00434 -0.01150 0.53045 164 9 O 1S -0.02659 -0.00656 -0.00013 0.00010 -0.01818 165 2S 0.66981 0.16722 0.00344 -0.00370 0.65793 166 3S -1.33290 -0.33229 -0.00630 0.00845 -1.53629 167 4PX -0.01755 -0.00333 0.00724 -0.07555 0.01611 168 4PY 0.02961 0.00358 0.00315 -0.04594 -0.02951 169 4PZ -0.00780 0.00317 0.00191 -0.00185 0.05276 170 5PX 0.24279 0.05852 -0.02115 0.25685 0.15150 171 5PY -0.39801 -0.08873 -0.01156 0.15898 -0.23469 172 5PZ -0.06188 -0.03291 -0.00618 0.00663 -0.27639 171 172 V V EIGENVALUES -- 2.55829 9.39938 1 1 Cu 1S -0.68436 -0.54279 2 2S -1.20378 -0.84183 3 3S 0.92080 -1.47972 4 4PX -0.01675 -0.01430 5 4PY -0.02914 -0.02202 6 4PZ 0.02045 0.02795 7 5PX 0.19928 -0.41505 8 5PY -0.03527 -0.11451 9 5PZ -0.23562 0.60252 10 6PX 0.18903 -0.36652 11 6PY -0.15799 0.44768 12 6PZ -0.50012 0.40629 13 7D 0 0.02301 0.00353 14 7D+1 -0.02367 -0.00661 15 7D-1 0.00262 -0.01266 16 7D+2 0.00969 -0.00333 17 7D-2 -0.00850 0.00943 18 8D 0 -0.07236 -0.03468 19 8D+1 0.07639 0.05461 20 8D-1 -0.00728 0.09780 21 8D+2 -0.02608 0.01539 22 8D-2 0.03029 -0.06858 23 2 Cu 1S -0.46347 -0.70957 24 2S -0.81311 -1.10328 25 3S 0.06042 -1.37731 26 4PX -0.02278 -0.04982 27 4PY -0.00822 -0.00121 28 4PZ -0.01658 -0.00290 29 5PX 0.20863 -0.87808 30 5PY -0.12248 0.14854 31 5PZ -0.05766 0.07852 32 6PX 0.39379 -0.19800 33 6PY 0.05006 0.14042 34 6PZ -0.13232 -0.01983 35 7D 0 -0.02040 -0.00270 36 7D+1 -0.02335 0.00482 37 7D-1 0.00743 -0.00021 38 7D+2 0.01890 0.01167 39 7D-2 -0.01951 0.00649 40 8D 0 0.06717 0.04253 41 8D+1 0.07515 -0.03287 42 8D-1 -0.03243 0.00471 43 8D+2 -0.05756 -0.10799 44 8D-2 0.06109 -0.03757 45 3 Cu 1S -0.35383 -0.80128 46 2S -0.62380 -1.24304 47 3S -0.56628 -0.94253 48 4PX -0.00139 -0.02101 49 4PY 0.00622 0.04680 50 4PZ -0.02140 -0.02916 51 5PX 0.09626 -0.38224 52 5PY -0.16345 0.78365 53 5PZ -0.08571 -0.20282 54 6PX 0.05806 0.05080 55 6PY -0.20797 -0.06801 56 6PZ 0.24830 -0.22591 57 7D 0 -0.02061 0.00287 58 7D+1 -0.00089 0.00263 59 7D-1 -0.00040 -0.00675 60 7D+2 -0.02034 -0.00340 61 7D-2 -0.02916 -0.00272 62 8D 0 0.05790 -0.00715 63 8D+1 0.00675 -0.03430 64 8D-1 -0.00179 0.08067 65 8D+2 0.06631 0.04318 66 8D-2 0.09603 0.04176 67 4 Cu 1S -0.50482 -0.67552 68 2S -0.88473 -1.05124 69 3S 0.26921 -1.48342 70 4PX 0.02358 0.02782 71 4PY 0.01793 0.03732 72 4PZ -0.01146 0.00599 73 5PX -0.01954 0.34764 74 5PY -0.25813 0.78800 75 5PZ -0.08068 0.20840 76 6PX -0.20884 -0.05637 77 6PY -0.30790 0.31953 78 6PZ -0.24678 0.06469 79 7D 0 -0.01273 -0.00409 80 7D+1 0.00922 0.00034 81 7D-1 0.02994 -0.00177 82 7D+2 -0.02277 0.00163 83 7D-2 0.00410 0.01512 84 8D 0 0.04377 0.04721 85 8D+1 -0.02428 -0.01122 86 8D-1 -0.10047 0.00377 87 8D+2 0.06871 0.00473 88 8D-2 -0.01046 -0.12240 89 5 Cu 1S -0.70827 -0.52450 90 2S -1.24564 -0.81249 91 3S 0.99512 -1.41152 92 4PX 0.02914 0.02124 93 4PY -0.00547 -0.00363 94 4PZ 0.02740 0.03096 95 5PX -0.03263 0.18620 96 5PY -0.16032 0.21781 97 5PZ -0.27185 0.64743 98 6PX 0.11036 -0.28401 99 6PY -0.23570 0.53662 100 6PZ -0.49410 0.43534 101 7D 0 0.02693 0.00764 102 7D+1 0.00133 0.01409 103 7D-1 0.01857 -0.00285 104 7D+2 -0.00939 0.00664 105 7D-2 0.00281 -0.00098 106 8D 0 -0.08478 -0.06577 107 8D+1 -0.00515 -0.10715 108 8D-1 -0.05815 0.02020 109 8D+2 0.03070 -0.04532 110 8D-2 -0.00391 -0.00142 111 6 Cu 1S 0.68891 -3.27923 112 2S 1.21013 -5.28627 113 3S -3.84454 10.44668 114 4PX 0.03163 0.04146 115 4PY -0.05008 -0.06540 116 4PZ -0.03739 -0.06384 117 5PX 0.69978 -3.68168 118 5PY -1.12773 5.87300 119 5PZ -0.82360 3.86533 120 6PX -0.65267 0.31067 121 6PY 1.07789 -0.55519 122 6PZ -0.07908 1.28668 123 7D 0 -0.00434 -0.02050 124 7D+1 -0.01968 -0.03718 125 7D-1 0.03195 0.05969 126 7D+2 -0.01422 -0.03043 127 7D-2 -0.02844 -0.06274 128 8D 0 -0.00217 0.14526 129 8D+1 0.04702 0.26720 130 8D-1 -0.07722 -0.42838 131 8D+2 0.02902 0.22088 132 8D-2 0.05664 0.45427 133 7 Cu 1S -1.10151 -0.73965 134 2S -1.89093 -1.24274 135 3S 4.46686 -0.16560 136 4PX -0.03565 -0.02334 137 4PY 0.05642 0.03693 138 4PZ 0.04410 0.03471 139 5PX 0.52715 -0.47554 140 5PY -0.83685 0.75710 141 5PZ -0.74537 0.64595 142 6PX 0.53620 0.16432 143 6PY -0.87122 -0.23178 144 6PZ -0.41138 -0.98162 145 7D 0 0.00440 0.00067 146 7D+1 0.00602 -0.01553 147 7D-1 -0.00954 0.02459 148 7D+2 0.00594 -0.00940 149 7D-2 0.01189 -0.01942 150 8D 0 -0.01289 -0.01001 151 8D+1 -0.02680 0.11497 152 8D-1 0.04236 -0.18202 153 8D+2 -0.02394 0.06625 154 8D-2 -0.04790 0.13764 155 8 C 1S 0.00654 -0.05252 156 2S 0.40914 -0.97192 157 3S -0.13024 4.59814 158 4PX -0.01752 -0.06775 159 4PY 0.02463 0.10596 160 4PZ 0.08108 0.11959 161 5PX 0.96018 -2.16440 162 5PY -1.53701 3.46919 163 5PZ -0.86733 1.83082 164 9 O 1S -0.01276 -0.00954 165 2S 0.70550 -0.46661 166 3S -1.76672 1.62486 167 4PX 0.00534 -0.09578 168 4PY -0.00487 0.15047 169 4PZ -0.07983 0.14457 170 5PX 0.15035 0.27052 171 5PY -0.26175 -0.40977 172 5PZ 0.27741 -0.69203 Beta Molecular Orbital Coefficients. 1 2 3 4 5 O O O O O EIGENVALUES -- -19.26306 -10.34411 -4.34241 -4.29724 -4.29551 1 1 Cu 1S -0.00002 0.00006 0.00061 0.02649 0.01290 2 2S -0.00002 0.00000 -0.00081 -0.00056 0.00012 3 3S 0.00026 -0.00112 -0.00222 -0.00134 -0.00255 4 4PX 0.00000 0.00002 -0.00006 -0.00007 0.00000 5 4PY 0.00000 0.00000 -0.00003 -0.00023 -0.00002 6 4PZ 0.00000 -0.00002 0.00009 0.00012 0.00004 7 5PX 0.00008 -0.00026 -0.00115 0.00041 -0.00009 8 5PY 0.00001 0.00023 0.00004 -0.00106 -0.00050 9 5PZ -0.00012 0.00021 0.00171 -0.00056 0.00089 10 6PX 0.00027 0.00019 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4PY 0.06167 -0.10757 0.07144 0.14083 -0.13474 6 4PZ -0.08802 0.22693 -0.26528 0.05216 -0.06825 7 5PX -0.00106 0.00114 -0.00099 0.00632 -0.00827 8 5PY 0.00140 -0.00245 0.00500 0.00242 -0.00596 9 5PZ -0.00280 0.00594 -0.00522 -0.00001 0.00025 10 6PX -0.00337 -0.00195 0.00547 -0.00320 0.00180 11 6PY -0.00238 0.00475 -0.00248 -0.00572 0.00064 12 6PZ 0.00204 0.00030 0.00562 0.00025 0.00223 13 7D 0 -0.00015 0.00052 -0.00065 0.00049 -0.00048 14 7D+1 -0.00005 0.00009 -0.00018 0.00040 -0.00050 15 7D-1 0.00034 -0.00066 0.00069 0.00008 -0.00005 16 7D+2 0.00020 -0.00027 0.00022 -0.00012 0.00021 17 7D-2 0.00004 -0.00023 0.00036 -0.00078 0.00084 18 8D 0 0.00029 -0.00110 0.00109 -0.00085 0.00048 19 8D+1 0.00031 -0.00090 0.00097 -0.00015 0.00006 20 8D-1 -0.00075 0.00073 -0.00111 0.00034 -0.00021 21 8D+2 -0.00044 -0.00017 0.00040 0.00063 -0.00081 22 8D-2 -0.00007 0.00082 -0.00073 0.00117 -0.00096 23 2 Cu 1S -0.00024 -0.00037 0.00067 -0.00117 -0.00225 24 2S 0.00088 0.00103 -0.00325 -0.00107 0.00147 25 3S -0.01021 -0.00612 0.03369 -0.00386 -0.03084 26 4PX -0.30090 -0.21082 0.52525 -0.11114 -0.40298 27 4PY -0.34027 0.15796 -0.13505 0.04276 -0.26690 28 4PZ 0.23616 -0.34895 0.37694 -0.07771 0.10287 29 5PX -0.01000 -0.00656 0.01781 -0.00381 -0.01223 30 5PY -0.00808 0.00240 0.00074 -0.00038 -0.00866 31 5PZ 0.00268 -0.00490 0.01156 -0.00430 0.00105 32 6PX 0.00345 0.00151 0.00096 0.00149 -0.00532 33 6PY 0.00519 -0.00552 0.00112 0.00043 -0.00118 34 6PZ -0.00005 0.00718 -0.00514 -0.00220 -0.00477 35 7D 0 -0.00081 0.00014 0.00030 -0.00006 -0.00068 36 7D+1 -0.00051 0.00108 -0.00117 0.00027 0.00002 37 7D-1 -0.00002 0.00013 0.00005 -0.00005 0.00027 38 7D+2 0.00049 0.00059 -0.00128 0.00028 0.00077 39 7D-2 0.00108 -0.00031 0.00020 -0.00006 0.00067 40 8D 0 0.00099 -0.00064 0.00031 0.00003 0.00016 41 8D+1 0.00125 -0.00120 0.00034 -0.00038 0.00016 42 8D-1 0.00081 -0.00030 -0.00111 0.00035 -0.00070 43 8D+2 -0.00006 -0.00044 0.00039 -0.00020 -0.00018 44 8D-2 -0.00144 0.00055 -0.00084 -0.00002 0.00035 45 3 Cu 1S -0.00007 0.00181 0.00037 -0.00023 0.00180 46 2S -0.00012 -0.00159 -0.00070 0.00162 -0.00229 47 3S -0.00045 0.03096 0.01101 -0.01813 0.02587 48 4PX 0.59111 0.20075 0.12093 -0.04495 0.02281 49 4PY 0.32107 -0.37860 -0.06374 0.15323 -0.24194 50 4PZ 0.07170 0.39802 0.07834 -0.08048 0.24858 51 5PX 0.01036 0.00485 0.00461 0.00050 0.00166 52 5PY 0.00570 -0.01214 -0.00055 0.00394 -0.00737 53 5PZ 0.00074 0.01665 0.00490 -0.00559 0.00621 54 6PX -0.00955 -0.00126 0.00575 0.00145 0.00297 55 6PY -0.00515 -0.00064 0.00157 0.00435 -0.00205 56 6PZ -0.00066 -0.00437 0.00160 -0.00314 0.00280 57 7D 0 -0.00030 -0.00023 0.00002 -0.00011 -0.00035 58 7D+1 -0.00133 -0.00063 -0.00030 0.00011 -0.00009 59 7D-1 -0.00057 0.00124 0.00020 -0.00035 0.00064 60 7D+2 -0.00095 0.00044 -0.00001 -0.00022 0.00043 61 7D-2 0.00084 0.00051 0.00024 -0.00016 0.00037 62 8D 0 0.00052 -0.00075 -0.00040 0.00070 0.00040 63 8D+1 0.00199 0.00055 0.00033 0.00004 -0.00051 64 8D-1 0.00095 -0.00048 0.00009 -0.00019 0.00072 65 8D+2 0.00108 0.00002 0.00035 0.00001 -0.00061 66 8D-2 -0.00109 0.00009 -0.00013 -0.00020 -0.00121 67 4 Cu 1S -0.00003 -0.00035 0.00059 -0.00111 -0.00201 68 2S -0.00105 0.00000 0.00309 0.00190 0.00164 69 3S 0.00807 0.00262 -0.01711 -0.02694 -0.03240 70 4PX -0.37708 -0.05430 0.11418 0.22046 0.42664 71 4PY -0.05557 0.16411 0.30777 0.50461 0.20774 72 4PZ -0.25501 -0.27899 -0.22845 -0.28936 0.15396 73 5PX -0.01063 -0.00157 0.00496 0.01154 0.01437 74 5PY -0.00386 0.00314 0.00850 0.01415 0.00643 75 5PZ -0.00442 -0.00272 -0.00365 -0.00861 0.00299 76 6PX 0.00597 0.00303 0.00077 -0.00034 0.00456 77 6PY 0.00077 -0.00473 -0.00081 -0.00168 0.00279 78 6PZ -0.00006 0.00529 0.00685 0.00307 -0.00151 79 7D 0 0.00054 -0.00001 -0.00030 -0.00056 -0.00069 80 7D+1 -0.00062 -0.00071 -0.00044 -0.00050 0.00011 81 7D-1 -0.00047 -0.00058 -0.00047 -0.00067 0.00029 82 7D+2 -0.00071 -0.00039 -0.00040 -0.00058 0.00035 83 7D-2 -0.00073 0.00025 0.00072 0.00125 0.00101 84 8D 0 -0.00033 -0.00011 -0.00035 -0.00022 0.00021 85 8D+1 0.00175 0.00149 0.00010 -0.00032 0.00013 86 8D-1 0.00052 0.00067 0.00047 0.00107 -0.00047 87 8D+2 0.00110 0.00044 0.00076 0.00091 0.00012 88 8D-2 0.00038 -0.00038 -0.00001 -0.00039 -0.00010 89 5 Cu 1S -0.00062 0.00112 0.00121 -0.00033 0.00019 90 2S -0.00123 0.00177 0.00196 -0.00060 0.00106 91 3S 0.00629 -0.00308 -0.00078 -0.00600 -0.01131 92 4PX 0.00055 -0.02187 0.10352 -0.25919 0.30636 93 4PY -0.04823 -0.14494 -0.09695 -0.30838 0.18118 94 4PZ 0.04349 0.15199 0.20308 0.19663 0.05623 95 5PX 0.00000 -0.00081 0.00429 -0.00167 0.00955 96 5PY -0.00154 -0.00241 -0.00082 -0.00600 0.00249 97 5PZ 0.00149 0.00436 0.00545 0.00402 0.00350 98 6PX -0.00272 -0.00298 -0.00382 0.00571 -0.00207 99 6PY -0.00170 0.00222 0.00597 0.00476 -0.00062 100 6PZ -0.00304 0.00102 -0.00415 -0.00262 0.00110 101 7D 0 0.00009 0.00041 0.00034 0.00077 -0.00016 102 7D+1 0.00010 0.00017 0.00052 -0.00020 0.00066 103 7D-1 -0.00019 -0.00046 -0.00036 -0.00083 0.00036 104 7D+2 -0.00002 -0.00019 0.00010 -0.00073 0.00062 105 7D-2 -0.00011 -0.00025 -0.00007 -0.00046 0.00033 106 8D 0 -0.00019 -0.00070 -0.00021 -0.00127 0.00039 107 8D+1 -0.00034 0.00034 -0.00009 0.00033 -0.00026 108 8D-1 0.00060 0.00099 0.00086 0.00159 -0.00026 109 8D+2 -0.00005 0.00072 0.00024 0.00144 -0.00060 110 8D-2 0.00031 0.00012 -0.00078 0.00046 -0.00119 111 6 Cu 1S -0.00008 0.00021 -0.00021 0.00053 0.00081 112 2S -0.00007 0.00033 0.00025 -0.00034 -0.00020 113 3S -0.00109 0.00277 -0.00524 0.01236 0.01759 114 4PX -0.00406 -0.00103 0.00963 0.00208 -0.00084 115 4PY -0.00232 -0.00351 0.00260 0.00642 0.00152 116 4PZ -0.00117 0.00677 0.00279 -0.00171 0.00561 117 5PX -0.00308 -0.00233 0.00504 0.00429 0.00152 118 5PY -0.00222 -0.00033 0.00470 -0.00021 -0.00216 119 5PZ -0.00121 0.00734 0.00357 -0.00330 0.00222 120 6PX -0.00355 0.00059 0.00700 0.00108 0.00016 121 6PY -0.00154 -0.00527 0.00117 0.00437 -0.00191 122 6PZ -0.00080 0.00546 0.00169 -0.00053 0.00547 123 7D 0 -0.00003 0.00016 0.00012 -0.00014 0.00001 124 7D+1 -0.00008 -0.00008 0.00010 0.00010 -0.00003 125 7D-1 -0.00006 0.00007 0.00012 0.00002 0.00012 126 7D+2 0.00012 0.00018 -0.00026 -0.00018 0.00013 127 7D-2 -0.00008 0.00014 0.00022 0.00001 0.00018 128 8D 0 0.00022 -0.00089 -0.00053 0.00060 0.00010 129 8D+1 0.00067 0.00032 -0.00038 -0.00039 0.00024 130 8D-1 0.00036 -0.00016 -0.00049 -0.00003 -0.00083 131 8D+2 -0.00043 -0.00088 0.00132 0.00108 -0.00081 132 8D-2 0.00023 -0.00069 -0.00128 0.00012 -0.00104 133 7 Cu 1S -0.00027 0.00133 0.00033 -0.00001 0.00104 134 2S -0.00025 0.00134 0.00071 -0.00082 -0.00008 135 3S 0.00353 -0.02594 -0.02829 0.04632 0.04062 136 4PX -0.15475 -0.15726 0.15779 0.27893 0.15440 137 4PY -0.12111 0.06206 0.29489 -0.16302 -0.23103 138 4PZ -0.07524 0.44802 0.29421 -0.37799 -0.13406 139 5PX -0.00556 -0.00637 0.00594 0.01254 0.00779 140 5PY -0.00448 0.00298 0.01283 -0.00817 -0.01171 141 5PZ -0.00271 0.01695 0.01209 -0.01607 -0.00640 142 6PX 0.00557 -0.00077 -0.00820 -0.00045 0.00114 143 6PY 0.00230 0.00667 -0.00081 -0.00579 -0.00328 144 6PZ 0.00135 -0.00662 -0.00135 -0.00065 -0.00367 145 7D 0 0.00002 -0.00017 -0.00011 0.00011 -0.00013 146 7D+1 0.00009 -0.00017 -0.00031 0.00013 0.00014 147 7D-1 -0.00002 0.00039 0.00015 -0.00039 -0.00015 148 7D+2 0.00002 -0.00009 -0.00005 0.00021 0.00015 149 7D-2 0.00003 -0.00021 -0.00024 0.00032 0.00025 150 8D 0 0.00002 0.00054 0.00040 -0.00034 0.00124 151 8D+1 -0.00002 0.00009 0.00114 0.00009 -0.00034 152 8D-1 0.00001 -0.00060 0.00014 0.00091 0.00000 153 8D+2 0.00039 0.00036 -0.00042 -0.00073 -0.00057 154 8D-2 -0.00037 0.00040 0.00074 -0.00050 -0.00078 155 8 C 1S 0.00000 0.00000 -0.00002 0.00004 0.00004 156 2S 0.00003 -0.00028 -0.00038 0.00063 0.00029 157 3S -0.00007 0.00074 0.00217 -0.00405 -0.00397 158 4PX 0.00000 0.00006 -0.00015 -0.00006 0.00007 159 4PY 0.00002 -0.00006 -0.00008 -0.00011 -0.00011 160 4PZ 0.00001 -0.00006 -0.00004 0.00001 -0.00025 161 5PX 0.00109 -0.00061 -0.00117 -0.00058 -0.00091 162 5PY 0.00026 0.00204 -0.00035 0.00002 0.00150 163 5PZ 0.00017 -0.00119 -0.00049 0.00047 0.00039 164 9 O 1S 0.00000 -0.00001 0.00000 -0.00001 -0.00002 165 2S 0.00004 -0.00022 0.00010 -0.00029 -0.00041 166 3S -0.00019 0.00094 -0.00045 0.00130 0.00190 167 4PX 0.00003 0.00000 0.00004 0.00000 0.00000 168 4PY 0.00001 0.00000 0.00000 0.00005 -0.00002 169 4PZ 0.00001 -0.00003 -0.00003 0.00006 0.00014 170 5PX -0.00025 -0.00016 0.00015 -0.00012 -0.00029 171 5PY -0.00017 0.00003 -0.00003 0.00023 0.00055 172 5PZ -0.00006 0.00039 0.00021 -0.00029 -0.00044 21 22 23 24 25 O O O O O EIGENVALUES -- -2.80271 -2.80231 -2.80189 -2.80178 -2.80131 1 1 Cu 1S -0.00041 -0.00109 -0.00265 0.00102 0.00120 2 2S 0.00233 0.00024 0.00378 0.00020 -0.00140 3 3S -0.02899 -0.01378 -0.03709 0.00935 0.01329 4 4PX -0.34476 0.08544 0.06553 0.28419 0.57915 5 4PY -0.36654 -0.16047 -0.43533 0.11567 0.17479 6 4PZ 0.23288 0.25077 0.59135 0.07763 0.20085 7 5PX -0.00818 0.00035 0.00026 0.00804 0.01429 8 5PY -0.01393 -0.00552 -0.01291 0.00365 0.00468 9 5PZ 0.00982 0.00689 0.01546 0.00123 0.00479 10 6PX 0.00562 0.00196 -0.01277 0.00174 -0.01895 11 6PY 0.00182 0.00046 -0.00502 -0.00010 0.00149 12 6PZ 0.00333 0.00046 -0.00353 0.00210 -0.01538 13 7D 0 -0.00010 0.00032 0.00053 0.00034 0.00046 14 7D+1 -0.00070 -0.00012 -0.00073 0.00034 0.00061 15 7D-1 -0.00096 -0.00066 -0.00138 0.00007 0.00006 16 7D+2 -0.00017 -0.00035 -0.00083 -0.00002 -0.00001 17 7D-2 0.00098 0.00001 0.00029 -0.00051 -0.00069 18 8D 0 -0.00009 -0.00008 0.00049 0.00018 0.00190 19 8D+1 -0.00038 0.00012 0.00150 -0.00012 0.00035 20 8D-1 0.00053 0.00030 -0.00107 -0.00028 -0.00082 21 8D+2 -0.00080 0.00014 0.00030 -0.00027 -0.00124 22 8D-2 -0.00077 -0.00010 -0.00016 -0.00016 -0.00241 23 2 Cu 1S 0.00100 0.00187 0.00155 -0.00015 0.00018 24 2S -0.00071 -0.00175 -0.00028 -0.00130 -0.00100 25 3S 0.00892 0.01673 0.01328 0.00117 0.00087 26 4PX 0.17925 0.27258 0.10870 0.04326 0.04245 27 4PY 0.28204 0.19688 -0.33802 -0.03124 -0.13234 28 4PZ -0.18171 -0.08053 0.43467 0.03589 0.12757 29 5PX 0.00505 0.00672 0.00339 0.00028 0.00002 30 5PY 0.00481 0.00451 -0.00888 -0.00061 -0.00338 31 5PZ -0.00352 -0.00153 0.01134 0.00040 0.00311 32 6PX -0.00159 0.00397 0.00342 0.00091 0.00310 33 6PY -0.00664 -0.00653 0.01079 -0.00115 0.01280 34 6PZ 0.00592 0.01057 -0.00972 0.00226 -0.01192 35 7D 0 0.00041 0.00042 -0.00006 0.00004 0.00007 36 7D+1 0.00021 -0.00005 -0.00065 -0.00006 -0.00007 37 7D-1 -0.00019 -0.00033 -0.00015 -0.00005 -0.00007 38 7D+2 -0.00026 -0.00052 -0.00035 -0.00010 -0.00012 39 7D-2 -0.00059 -0.00033 0.00041 0.00007 0.00011 40 8D 0 0.00009 0.00026 -0.00147 -0.00007 -0.00086 41 8D+1 0.00035 0.00022 -0.00200 -0.00034 -0.00148 42 8D-1 0.00062 0.00132 0.00101 0.00028 0.00053 43 8D+2 0.00016 0.00011 -0.00023 -0.00016 -0.00032 44 8D-2 -0.00059 -0.00132 0.00157 -0.00019 0.00096 45 3 Cu 1S -0.00289 0.00038 0.00005 -0.00001 -0.00003 46 2S 0.00033 -0.00018 -0.00117 -0.00127 0.00007 47 3S -0.02100 0.00312 -0.00037 -0.00049 0.00013 48 4PX -0.02056 0.59250 -0.15497 0.15508 -0.08349 49 4PY 0.23698 0.27913 -0.13724 0.02266 -0.03549 50 4PZ 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110 8D-2 -0.00121 -0.00001 -0.00010 0.00063 0.00172 111 6 Cu 1S 0.00096 0.00000 0.00028 0.00036 0.00001 112 2S -0.00018 0.00002 0.00014 0.00019 0.00001 113 3S 0.01951 -0.00007 0.00371 0.00457 0.00011 114 4PX -0.00118 0.00082 -0.00213 0.00230 0.00173 115 4PY 0.00046 0.00054 -0.00214 0.00020 0.00102 116 4PZ 0.00811 -0.00011 0.00295 0.00396 0.00013 117 5PX 0.00119 0.00009 -0.00065 0.00074 0.00007 118 5PY -0.00271 0.00015 -0.00075 0.00002 0.00004 119 5PZ 0.00363 -0.00011 0.00095 0.00131 0.00004 120 6PX -0.00019 0.00651 -0.00025 0.00279 0.00377 121 6PY 0.00167 0.00284 -0.00429 -0.00265 0.00234 122 6PZ 0.00163 0.00135 0.00484 0.00521 0.00007 123 7D 0 0.00020 -0.00001 0.00016 0.00024 0.00001 124 7D+1 -0.00003 -0.00003 -0.00019 0.00012 0.00011 125 7D-1 -0.00005 0.00002 -0.00008 0.00009 0.00007 126 7D+2 -0.00002 -0.00014 0.00006 0.00002 -0.00008 127 7D-2 0.00001 0.00012 0.00006 0.00005 0.00004 128 8D 0 -0.00085 0.00002 -0.00102 -0.00145 -0.00006 129 8D+1 0.00012 0.00010 0.00110 -0.00070 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7D+2 0.00005 0.00008 0.00007 0.00149 -0.00065 17 7D-2 0.00000 -0.00003 -0.00002 0.00011 -0.00005 18 8D 0 -0.00017 0.00053 -0.00018 0.00010 -0.00013 19 8D+1 0.00015 0.00018 0.00017 -0.00013 -0.00016 20 8D-1 -0.00035 -0.00005 -0.00009 0.00004 -0.00018 21 8D+2 -0.00022 0.00010 -0.00025 0.00039 0.00029 22 8D-2 0.00005 0.00015 0.00025 -0.00011 -0.00009 23 2 Cu 1S 0.00032 0.00028 0.00027 0.00030 -0.00002 24 2S 0.00042 -0.00002 0.00051 0.00044 0.00000 25 3S 0.00099 0.00377 0.00046 0.00045 -0.00184 26 4PX -0.04770 -0.34400 0.01066 0.02610 -0.00766 27 4PY 0.08155 0.68041 -0.02208 -0.04085 0.00971 28 4PZ 0.10718 0.61379 -0.02215 -0.03779 0.00850 29 5PX 0.00022 -0.00637 0.00038 0.00110 -0.00135 30 5PY 0.00107 0.01409 0.00035 -0.00137 0.00121 31 5PZ 0.00218 0.01295 0.00035 -0.00104 0.00102 32 6PX -0.00064 0.00521 0.00064 -0.00141 0.00096 33 6PY 0.00075 -0.00746 -0.00161 0.00229 -0.00157 34 6PZ 0.00108 -0.00712 -0.00065 0.00165 -0.00151 35 7D 0 -0.00012 -0.00078 0.00003 0.00005 -0.00006 36 7D+1 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116 4PZ -0.00226 0.00072 0.00176 0.00758 0.00363 117 5PX 0.00343 0.00188 0.00264 0.00157 -0.00085 118 5PY -0.00528 -0.00423 -0.00353 -0.00130 -0.00093 119 5PZ -0.00323 -0.00133 -0.00111 -0.00183 -0.00093 120 6PX -0.00251 -0.00177 -0.00122 -0.00113 -0.00196 121 6PY 0.00407 0.00202 0.00219 0.00307 0.00046 122 6PZ 0.00386 0.00345 0.00355 0.00284 0.00081 123 7D 0 -0.00018 -0.00010 -0.00006 0.00029 0.00018 124 7D+1 0.00009 -0.00007 0.00010 -0.00015 0.00021 125 7D-1 -0.00015 -0.00004 0.00011 -0.00004 0.00014 126 7D+2 -0.00010 0.00028 -0.00019 0.00011 -0.00004 127 7D-2 -0.00014 -0.00006 0.00022 0.00010 0.00006 128 8D 0 0.00108 0.00049 0.00025 -0.00163 -0.00094 129 8D+1 -0.00044 0.00053 -0.00060 0.00094 -0.00095 130 8D-1 0.00069 0.00025 -0.00068 -0.00007 -0.00082 131 8D+2 0.00057 -0.00147 0.00115 -0.00063 0.00035 132 8D-2 0.00079 0.00046 -0.00104 -0.00043 -0.00037 133 7 Cu 1S -0.00059 -0.00043 -0.00043 -0.00049 -0.00019 134 2S 0.00111 0.00091 0.00095 0.00135 0.00057 135 3S -0.01348 -0.00861 -0.00814 -0.00775 -0.00289 136 4PX -0.01611 0.04608 -0.08913 -0.01887 -0.05235 137 4PY 0.01052 0.06888 -0.00728 0.08221 0.00817 138 4PZ 0.13316 0.05043 0.03336 -0.02390 -0.01508 139 5PX 0.00036 0.00185 -0.00159 0.00050 -0.00088 140 5PY -0.00100 0.00077 -0.00126 0.00054 -0.00044 141 5PZ 0.00289 0.00061 0.00010 -0.00173 -0.00084 142 6PX -0.00282 -0.00189 -0.00234 -0.00268 -0.00053 143 6PY 0.00434 0.00357 0.00336 0.00381 0.00176 144 6PZ 0.00405 0.00248 0.00238 0.00304 0.00132 145 7D 0 -0.00039 0.00000 0.00008 0.00027 0.00010 146 7D+1 0.00004 -0.00022 0.00026 -0.00007 -0.00007 147 7D-1 0.00002 -0.00022 0.00009 0.00010 0.00006 148 7D+2 -0.00005 0.00010 -0.00027 0.00024 -0.00020 149 7D-2 -0.00009 -0.00020 -0.00001 0.00010 0.00025 150 8D 0 0.00220 0.00005 -0.00045 -0.00172 -0.00070 151 8D+1 -0.00068 0.00101 -0.00171 0.00032 0.00023 152 8D-1 0.00064 0.00162 -0.00018 -0.00028 -0.00033 153 8D+2 0.00020 -0.00097 0.00162 -0.00165 0.00115 154 8D-2 0.00024 0.00093 -0.00043 -0.00096 -0.00163 155 8 C 1S 0.00008 0.00006 0.00006 0.00003 0.00001 156 2S 0.00129 0.00078 0.00069 -0.00008 -0.00013 157 3S -0.00676 -0.00484 -0.00465 -0.00237 -0.00057 158 4PX 0.00002 0.00026 -0.00017 0.00028 -0.00021 159 4PY -0.00006 0.00003 -0.00026 -0.00009 -0.00023 160 4PZ 0.00012 -0.00004 -0.00011 -0.00062 -0.00031 161 5PX 0.00058 -0.00011 0.00022 -0.00095 0.00134 162 5PY -0.00105 0.00002 0.00045 -0.00020 0.00084 163 5PZ -0.00040 -0.00045 -0.00028 0.00253 0.00144 164 9 O 1S -0.00001 -0.00001 -0.00001 0.00000 0.00000 165 2S -0.00035 -0.00034 -0.00033 0.00000 0.00005 166 3S 0.00139 0.00146 0.00147 0.00035 -0.00007 167 4PX -0.00003 -0.00011 0.00009 -0.00007 0.00017 168 4PY 0.00005 0.00000 0.00011 -0.00010 0.00006 169 4PZ 0.00007 0.00007 0.00009 0.00035 0.00017 170 5PX -0.00014 0.00013 -0.00051 0.00029 -0.00081 171 5PY 0.00027 0.00033 -0.00005 0.00055 -0.00033 172 5PZ -0.00026 -0.00014 -0.00024 -0.00164 -0.00084 31 32 33 34 35 O O O O O EIGENVALUES -- -1.17814 -0.57903 -0.47889 -0.47530 -0.45699 1 1 Cu 1S 0.00165 0.00007 -0.00127 0.00025 -0.00080 2 2S 0.00201 0.00516 0.01207 -0.00148 0.02077 3 3S 0.01551 0.03496 -0.00467 -0.01368 0.01146 4 4PX 0.00014 -0.00088 -0.00200 0.00026 -0.00258 5 4PY 0.00005 -0.00022 -0.00101 -0.00034 -0.00322 6 4PZ -0.00016 0.00130 0.00270 -0.00043 0.00434 7 5PX 0.00117 0.00411 0.00130 -0.00293 0.00869 8 5PY 0.00280 0.00166 -0.00054 -0.00390 0.00129 9 5PZ -0.00462 -0.00876 -0.00250 0.00353 -0.00716 10 6PX 0.00207 0.02409 -0.01269 0.00006 -0.01074 11 6PY 0.00696 -0.01959 0.01746 -0.01601 0.00977 12 6PZ -0.00140 -0.02060 0.00983 -0.00839 0.00865 13 7D 0 -0.00004 0.00120 0.00199 -0.00003 0.00440 14 7D+1 -0.00005 -0.00227 -0.00493 0.00037 -0.00752 15 7D-1 0.00005 -0.00064 -0.00220 -0.00217 -0.00953 16 7D+2 0.00000 0.00044 0.00049 0.00011 -0.00153 17 7D-2 -0.00002 0.00028 0.00048 0.00084 0.00578 18 8D 0 0.00041 0.00047 0.00041 0.00015 0.00089 19 8D+1 0.00006 -0.00060 -0.00109 0.00021 -0.00254 20 8D-1 -0.00061 -0.00039 -0.00100 -0.00054 -0.00412 21 8D+2 -0.00007 -0.00032 -0.00021 -0.00035 -0.00083 22 8D-2 0.00023 -0.00004 0.00014 -0.00002 0.00279 23 2 Cu 1S 0.00256 0.00106 -0.00112 0.00010 -0.00169 24 2S 0.00338 0.00553 0.01071 0.00014 0.02154 25 3S 0.02124 0.03077 0.00813 0.03251 0.03132 26 4PX 0.00029 -0.00140 -0.00357 -0.00041 -0.00659 27 4PY -0.00010 0.00001 -0.00021 -0.00031 -0.00032 28 4PZ 0.00004 -0.00003 -0.00054 -0.00020 -0.00108 29 5PX 0.00836 0.01144 0.00294 0.00679 0.01568 30 5PY -0.00228 -0.00072 -0.00273 -0.00056 -0.00371 31 5PZ -0.00238 -0.00349 0.00062 0.00228 0.00242 32 6PX 0.00294 0.00488 0.00246 0.01428 0.00311 33 6PY -0.00181 -0.00535 -0.00225 -0.02662 0.00637 34 6PZ 0.00109 0.01188 -0.01238 -0.01952 -0.00113 35 7D 0 0.00002 -0.00159 -0.00466 -0.00061 -0.00725 36 7D+1 0.00011 0.00019 0.00140 0.00067 0.00425 37 7D-1 -0.00003 0.00009 -0.00022 -0.00047 0.00055 38 7D+2 -0.00001 0.00247 0.00729 0.00220 0.01303 39 7D-2 0.00007 -0.00035 0.00125 0.00082 0.00230 40 8D 0 -0.00044 -0.00060 -0.00107 -0.00021 -0.00201 41 8D+1 -0.00080 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-0.00167 -0.00446 0.00052 -0.00628 62 8D 0 -0.00098 -0.00036 0.00078 -0.00005 0.00180 63 8D+1 -0.00015 -0.00018 0.00143 -0.00037 0.00198 64 8D-1 0.00029 0.00011 -0.00325 0.00002 -0.00466 65 8D+2 -0.00083 -0.00069 -0.00083 -0.00032 -0.00097 66 8D-2 -0.00125 -0.00096 -0.00045 0.00029 -0.00051 67 4 Cu 1S 0.00245 0.00091 -0.00112 -0.00015 -0.00158 68 2S 0.00317 0.00547 0.01057 0.00018 0.02150 69 3S 0.01735 0.03287 -0.00039 -0.02724 0.03236 70 4PX -0.00008 0.00074 0.00206 -0.00051 0.00401 71 4PY -0.00033 0.00118 0.00277 -0.00005 0.00525 72 4PZ -0.00001 0.00023 0.00016 0.00011 0.00020 73 5PX -0.00222 -0.00556 0.00178 0.00221 -0.00568 74 5PY -0.00646 -0.00933 -0.00236 0.00502 -0.01578 75 5PZ -0.00332 -0.00507 -0.00013 -0.00111 0.00008 76 6PX -0.00078 0.00308 -0.00065 -0.01788 -0.00777 77 6PY -0.00304 -0.01359 0.00353 0.02340 0.00298 78 6PZ 0.00127 0.00719 -0.00810 0.02046 -0.00094 79 7D 0 -0.00001 -0.00148 -0.00437 0.00064 -0.00765 80 7D+1 -0.00002 0.00028 0.00118 -0.00060 0.00043 81 7D-1 -0.00010 0.00072 0.00098 0.00035 0.00091 82 7D+2 0.00005 -0.00124 -0.00155 -0.00017 -0.00238 83 7D-2 0.00003 0.00196 0.00651 -0.00257 0.01305 84 8D 0 -0.00021 -0.00047 -0.00114 0.00027 -0.00265 85 8D+1 0.00018 0.00014 0.00016 -0.00007 -0.00014 86 8D-1 0.00091 0.00089 -0.00010 0.00034 -0.00126 87 8D+2 -0.00048 -0.00014 0.00048 0.00008 0.00011 88 8D-2 0.00020 0.00053 0.00213 -0.00097 0.00495 89 5 Cu 1S 0.00154 -0.00003 -0.00130 -0.00020 -0.00070 90 2S 0.00190 0.00513 0.01250 0.00130 0.02046 91 3S 0.01742 0.03397 0.00057 0.01399 0.00495 92 4PX -0.00007 0.00039 0.00136 -0.00022 0.00323 93 4PY -0.00005 0.00052 0.00089 0.00024 -0.00020 94 4PZ -0.00015 0.00148 0.00323 0.00043 0.00487 95 5PX -0.00275 -0.00182 -0.00090 -0.00410 -0.00311 96 5PY 0.00110 -0.00203 -0.00106 -0.00035 -0.00494 97 5PZ -0.00513 -0.00896 -0.00410 -0.00393 -0.00738 98 6PX -0.00717 0.00904 -0.01135 -0.01207 -0.00392 99 6PY 0.00327 -0.02897 0.01946 0.00477 0.01327 100 6PZ -0.00293 -0.02490 0.01056 0.00494 0.01169 101 7D 0 -0.00002 0.00197 0.00378 0.00005 0.00787 102 7D+1 -0.00002 0.00124 0.00324 -0.00152 0.01095 103 7D-1 0.00008 0.00137 0.00281 0.00117 -0.00071 104 7D+2 -0.00002 -0.00008 -0.00031 0.00002 0.00381 105 7D-2 -0.00003 0.00008 -0.00042 -0.00050 -0.00036 106 8D 0 0.00039 0.00061 0.00092 -0.00012 0.00237 107 8D+1 0.00047 0.00045 0.00113 -0.00022 0.00471 108 8D-1 -0.00056 0.00017 0.00035 0.00052 -0.00073 109 8D+2 0.00018 0.00003 -0.00003 0.00014 0.00193 110 8D-2 0.00015 -0.00040 -0.00028 0.00027 -0.00020 111 6 Cu 1S 0.00119 -0.01116 -0.01020 0.00000 -0.00525 112 2S 0.01171 0.07787 0.09717 0.00004 0.15879 113 3S -0.12155 -0.19930 -0.05850 0.00001 -0.10587 114 4PX -0.00100 -0.01680 -0.01829 -0.00787 -0.02002 115 4PY 0.00166 0.02697 0.02967 -0.00476 0.03171 116 4PZ -0.00009 0.01409 0.00899 -0.00024 0.02490 117 5PX 0.01928 0.02504 0.01614 0.00832 0.03091 118 5PY -0.03150 -0.04094 -0.02618 0.00504 -0.04862 119 5PZ -0.00688 -0.01160 -0.00787 0.00026 -0.04287 120 6PX 0.01768 -0.02988 0.03858 0.08119 0.04046 121 6PY -0.02913 0.05194 -0.06657 0.04918 -0.06504 122 6PZ -0.00021 -0.06373 0.05982 0.00253 -0.02404 123 7D 0 -0.00081 -0.02039 -0.06465 -0.00136 -0.01320 124 7D+1 0.00044 -0.02746 -0.03328 -0.02392 -0.09725 125 7D-1 -0.00067 0.04406 0.05439 -0.01649 0.15446 126 7D+2 -0.00022 -0.02567 -0.05419 0.05703 -0.05741 127 7D-2 -0.00037 -0.05233 -0.10780 -0.02886 -0.12094 128 8D 0 -0.00296 -0.00980 -0.01734 -0.00037 -0.00702 129 8D+1 -0.00853 -0.01180 -0.00707 -0.00610 -0.03020 130 8D-1 0.01358 0.01897 0.01156 -0.00421 0.04810 131 8D+2 -0.00617 -0.01153 -0.01378 0.01533 -0.01913 132 8D-2 -0.01280 -0.02349 -0.02725 -0.00775 -0.04010 133 7 Cu 1S 0.00076 0.00076 -0.00049 0.00000 -0.00155 134 2S 0.00044 0.00451 0.01282 0.00000 0.02489 135 3S -0.00368 -0.00784 0.01735 -0.00008 0.03438 136 4PX 0.00014 -0.00042 -0.00159 0.00005 -0.00312 137 4PY -0.00023 0.00065 0.00251 0.00003 0.00494 138 4PZ -0.00014 0.00077 0.00233 0.00000 0.00432 139 5PX 0.00090 0.00188 0.00606 0.00094 0.01227 140 5PY -0.00137 -0.00289 -0.00971 0.00059 -0.01956 141 5PZ -0.00292 -0.00681 -0.00504 0.00005 -0.01287 142 6PX -0.00164 0.00657 -0.01322 -0.03773 0.00180 143 6PY 0.00290 -0.01296 0.02341 -0.02280 -0.00211 144 6PZ -0.00604 0.04639 -0.03208 -0.00114 -0.01939 145 7D 0 -0.00001 0.00020 0.00129 0.00003 0.00098 146 7D+1 -0.00007 -0.00123 -0.00375 0.00053 -0.00763 147 7D-1 0.00011 0.00194 0.00591 0.00034 0.01211 148 7D+2 -0.00005 -0.00062 -0.00173 -0.00055 -0.00395 149 7D-2 -0.00010 -0.00131 -0.00367 0.00027 -0.00829 150 8D 0 0.00015 0.00058 0.00055 0.00001 0.00029 151 8D+1 0.00019 -0.00047 -0.00183 0.00013 -0.00321 152 8D-1 -0.00029 0.00074 0.00289 0.00010 0.00506 153 8D+2 0.00022 -0.00013 -0.00066 -0.00064 -0.00179 154 8D-2 0.00044 -0.00029 -0.00145 0.00033 -0.00373 155 8 C 1S -0.11656 -0.16070 -0.03479 -0.00001 -0.08349 156 2S 0.24060 0.38360 0.05772 0.00003 0.15910 157 3S 0.06215 0.27450 0.12753 0.00002 0.24716 158 4PX 0.12729 0.01871 -0.11222 0.34280 -0.22686 159 4PY -0.20829 -0.03264 0.16451 0.20808 0.37983 160 4PZ -0.02919 0.03510 0.39216 0.01084 -0.11547 161 5PX -0.02603 -0.03781 -0.00121 0.05247 -0.00891 162 5PY 0.04279 0.06160 -0.00103 0.03185 0.01607 163 5PZ 0.00213 0.01604 0.05726 0.00164 -0.02734 164 9 O 1S -0.21143 0.12630 -0.02020 -0.00001 -0.02043 165 2S 0.46545 -0.28542 0.03822 0.00001 0.03016 166 3S 0.31212 -0.37902 0.09639 0.00006 0.12583 167 4PX -0.11871 -0.22787 0.13582 0.53443 0.15983 168 4PY 0.19416 0.37148 -0.24983 0.32409 -0.24438 169 4PZ 0.02945 0.08008 0.49578 0.01684 -0.37172 170 5PX 0.00873 -0.05721 0.03154 0.20536 0.02709 171 5PY -0.01434 0.09319 -0.06200 0.12457 -0.03734 172 5PZ -0.00093 0.02108 0.19140 0.00647 -0.14249 36 37 38 39 40 O O O O O EIGENVALUES -- -0.35569 -0.33746 -0.33675 -0.32580 -0.32570 1 1 Cu 1S -0.01278 -0.00136 -0.00018 -0.00263 0.00113 2 2S 0.17246 0.06998 0.06051 -0.04899 0.03586 3 3S -0.00096 0.10198 0.11539 -0.18107 0.10870 4 4PX -0.01350 0.00074 -0.01109 -0.00028 -0.01277 5 4PY -0.02696 -0.00969 -0.00894 0.00152 -0.00291 6 4PZ 0.02166 0.01451 0.00559 -0.01173 -0.00073 7 5PX 0.00961 0.03169 0.01557 -0.02648 0.02829 8 5PY 0.02564 0.04651 0.04753 -0.02148 0.01813 9 5PZ -0.02002 -0.03222 -0.04804 0.04828 -0.02295 10 6PX -0.00813 0.02167 -0.03512 -0.01722 -0.01554 11 6PY -0.02941 -0.01077 -0.01497 -0.01744 0.00259 12 6PZ 0.01124 0.03803 -0.00218 0.00359 -0.01723 13 7D 0 -0.00113 0.09052 -0.02431 -0.13001 -0.11706 14 7D+1 -0.03633 -0.00275 -0.07064 0.03143 -0.11103 15 7D-1 -0.12958 -0.10958 -0.04282 0.02676 0.01607 16 7D+2 -0.03949 -0.03443 0.02593 0.01925 0.08675 17 7D-2 0.08519 -0.00831 0.09647 0.03635 0.06911 18 8D 0 -0.00052 0.03025 -0.00799 -0.04601 -0.04317 19 8D+1 -0.01207 -0.00128 -0.02392 0.01071 -0.03999 20 8D-1 -0.04617 -0.04080 -0.01929 0.00899 0.00428 21 8D+2 -0.01383 -0.01278 0.00708 0.00785 0.03124 22 8D-2 0.03023 0.00025 0.03504 0.01195 0.02355 23 2 Cu 1S -0.01253 -0.00125 0.00205 0.00169 -0.00271 24 2S 0.16399 0.10355 -0.06357 0.00770 -0.04412 25 3S -0.02956 0.15288 -0.06167 0.06553 -0.17070 26 4PX -0.03108 -0.02101 0.01314 -0.00249 0.00828 27 4PY -0.00888 -0.00078 0.00997 -0.00545 -0.00461 28 4PZ -0.01271 -0.00838 -0.00439 0.00923 0.00201 29 5PX 0.01653 0.08455 -0.03598 0.01700 -0.05317 30 5PY 0.01102 0.02493 -0.00299 0.00305 0.00935 31 5PZ 0.00844 0.02223 -0.02237 -0.01209 -0.00874 32 6PX -0.02469 -0.03046 0.01939 0.01030 -0.01835 33 6PY -0.00665 0.01442 0.03298 -0.00516 -0.01209 34 6PZ -0.01237 -0.01553 -0.03072 0.02601 -0.00644 35 7D 0 -0.03789 -0.04280 0.07228 -0.02287 0.04509 36 7D+1 0.09476 0.08082 0.06957 -0.16073 -0.02651 37 7D-1 -0.00166 -0.02081 0.00364 0.02089 -0.00223 38 7D+2 0.08945 0.12410 -0.05399 0.04042 -0.04622 39 7D-2 0.06917 -0.00802 -0.11871 0.09216 0.09482 40 8D 0 -0.01320 -0.01593 0.02424 -0.00607 0.01630 41 8D+1 0.03339 0.03087 0.02182 -0.05819 -0.01065 42 8D-1 -0.00110 -0.00743 0.00145 0.00790 -0.00107 43 8D+2 0.03103 0.04510 -0.01992 0.01474 -0.01535 44 8D-2 0.02473 0.00123 -0.04162 0.03328 0.03393 45 3 Cu 1S -0.01243 0.00013 0.00265 0.00049 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-0.00969 66 8D-2 -0.00069 0.02745 0.01202 0.03472 -0.02932 67 4 Cu 1S -0.01254 0.00149 0.00176 -0.00236 -0.00208 68 2S 0.16534 -0.10977 -0.03912 -0.02119 -0.04325 69 3S -0.02417 -0.16022 -0.02609 -0.11304 -0.15096 70 4PX 0.02682 -0.01600 -0.01109 -0.00464 -0.00035 71 4PY 0.02189 -0.01734 -0.00075 -0.00087 -0.01016 72 4PZ -0.00588 0.00241 -0.00820 -0.00952 0.00383 73 5PX -0.02113 0.07413 0.00989 0.01641 0.02173 74 5PY -0.00985 0.06124 0.01671 0.02560 0.04641 75 5PZ 0.00394 -0.00695 -0.01422 0.01401 -0.00398 76 6PX 0.02220 -0.01502 -0.02897 0.01061 0.01744 77 6PY 0.01659 -0.03169 0.01256 0.01616 0.00442 78 6PZ -0.00817 0.00256 -0.03806 -0.02402 0.00629 79 7D 0 -0.06151 0.06429 0.02716 -0.01110 0.05953 80 7D+1 -0.01812 -0.00877 -0.08353 -0.08375 0.04470 81 7D-1 -0.05220 0.02475 -0.07696 -0.14195 0.04364 82 7D+2 0.03115 0.03230 -0.09359 -0.04150 0.11757 83 7D-2 0.12638 -0.13606 -0.04501 -0.03958 -0.00522 84 8D 0 -0.02146 0.02396 0.00899 -0.00584 0.02255 85 8D+1 -0.00596 -0.00279 -0.02785 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169 4PZ 0.02212 -0.00092 0.04311 -0.00922 -0.00098 170 5PX -0.01048 -0.02711 0.00183 -0.00071 -0.00215 171 5PY 0.01688 -0.01641 -0.00426 0.00139 -0.00140 172 5PZ 0.01263 -0.00068 0.02826 -0.00605 -0.00054 46 47 48 49 50 O O O O O EIGENVALUES -- -0.30553 -0.29963 -0.29135 -0.29117 -0.29062 1 1 Cu 1S -0.00151 -0.00157 0.00060 -0.00077 -0.00047 2 2S -0.08923 -0.00167 -0.05275 0.05400 -0.01230 3 3S -0.12426 -0.05708 -0.04738 0.02858 -0.10955 4 4PX -0.00130 0.00177 -0.00747 -0.01052 0.00259 5 4PY 0.01015 -0.00494 0.00264 -0.00316 0.00287 6 4PZ 0.00173 -0.00287 -0.01020 -0.00077 0.00381 7 5PX -0.01332 0.00000 0.02531 0.03218 -0.01033 8 5PY -0.02992 -0.00350 -0.01424 0.01287 -0.02611 9 5PZ 0.02117 0.00340 0.03057 0.00572 -0.00643 10 6PX -0.02401 0.00053 -0.02167 -0.01304 -0.00053 11 6PY -0.00565 -0.01826 0.00474 -0.01265 -0.02394 12 6PZ 0.03200 0.00222 -0.00936 -0.01047 0.02041 13 7D 0 0.11881 -0.08271 -0.13627 0.01651 0.18567 14 7D+1 -0.25956 -0.15530 -0.23931 0.21782 0.16732 15 7D-1 -0.09339 0.07842 0.01962 0.05230 -0.08139 16 7D+2 -0.03326 -0.24000 -0.12587 0.24326 0.06216 17 7D-2 0.03365 -0.08571 0.06965 0.10379 0.03916 18 8D 0 0.03926 -0.02714 -0.04414 0.00762 0.06309 19 8D+1 -0.08796 -0.05350 -0.07911 0.07323 0.05444 20 8D-1 -0.03206 0.02669 0.00523 0.01765 -0.02656 21 8D+2 -0.01264 -0.08078 -0.04277 0.08027 0.02018 22 8D-2 0.01126 -0.02909 0.02213 0.03404 0.01472 23 2 Cu 1S -0.00182 -0.00133 0.00105 0.00031 0.00002 24 2S -0.09000 -0.00325 -0.06420 -0.03184 0.02624 25 3S -0.13270 -0.04202 -0.01421 -0.03341 0.07424 26 4PX 0.00164 0.00178 0.00684 0.00410 -0.00127 27 4PY 0.00815 -0.00475 -0.00418 0.01045 -0.00007 28 4PZ 0.00689 -0.00445 0.00484 -0.00974 -0.00350 29 5PX -0.03939 0.00113 -0.01715 -0.01358 0.01129 30 5PY -0.01199 -0.00278 0.01158 -0.03628 0.00765 31 5PZ -0.01465 -0.00036 -0.01662 0.02746 0.01560 32 6PX -0.03381 -0.00853 0.00720 0.00030 0.01350 33 6PY 0.00578 -0.01043 0.00574 0.02278 0.01347 34 6PZ -0.00702 -0.00841 0.02115 -0.02001 -0.00210 35 7D 0 -0.13964 -0.01075 -0.12115 -0.01619 -0.05628 36 7D+1 0.00597 0.03719 0.04423 0.24809 0.21845 37 7D-1 0.10654 0.33720 0.41352 0.09683 -0.02445 38 7D+2 0.25400 -0.04770 0.07938 0.01887 -0.15878 39 7D-2 -0.07811 -0.00019 0.03822 -0.18267 -0.22332 40 8D 0 -0.04677 -0.00437 -0.04005 -0.00758 -0.02140 41 8D+1 0.00307 0.01171 0.01616 0.08145 0.07376 42 8D-1 0.03711 0.11413 0.13744 0.03223 -0.00875 43 8D+2 0.08541 -0.01504 0.02581 0.00568 -0.05584 44 8D-2 -0.02546 -0.00108 0.01255 -0.05904 -0.07500 45 3 Cu 1S -0.00234 -0.00116 -0.00012 0.00112 -0.00004 46 2S -0.09390 -0.00434 0.00616 -0.06684 0.00542 47 3S -0.14946 -0.03858 -0.00244 -0.00390 0.00831 48 4PX -0.00299 0.00275 -0.01428 0.00145 0.00049 49 4PY 0.00288 -0.00417 -0.00671 -0.00698 0.00057 50 4PZ 0.01110 -0.00501 -0.00193 0.00347 -0.00040 51 5PX -0.00929 0.00208 0.04455 -0.00241 -0.00412 52 5PY 0.02724 -0.00307 0.02159 0.01711 -0.00335 53 5PZ -0.04069 -0.00092 0.00536 -0.00854 0.00203 54 6PX -0.01088 0.00028 -0.02885 -0.00532 -0.00296 55 6PY 0.02331 0.00326 -0.01497 -0.00269 -0.00248 56 6PZ -0.02095 -0.01491 -0.00644 0.02341 0.00009 57 7D 0 -0.03193 0.25694 -0.00660 0.32006 -0.00936 58 7D+1 0.04557 -0.13033 0.16278 -0.09416 0.03148 59 7D-1 -0.13326 0.10581 0.04298 0.01102 -0.02301 60 7D+2 -0.17910 -0.07908 0.23155 -0.14754 0.32420 61 7D-2 -0.23783 -0.14782 -0.13293 -0.30741 -0.20249 62 8D 0 -0.00901 0.08564 -0.00284 0.10712 -0.00362 63 8D+1 0.01518 -0.04399 0.05143 -0.03170 0.00830 64 8D-1 -0.04507 0.03569 0.01293 0.00334 -0.00919 65 8D+2 -0.06011 -0.02774 0.07635 -0.04843 0.11139 66 8D-2 -0.07977 -0.05140 -0.04352 -0.10146 -0.06938 67 4 Cu 1S -0.00169 -0.00140 -0.00105 0.00009 -0.00011 68 2S -0.08929 -0.00285 0.07039 -0.02039 -0.02520 69 3S -0.12925 -0.04470 0.02687 -0.03621 -0.08289 70 4PX -0.00865 0.00365 0.00307 -0.00865 -0.00060 71 4PY 0.00253 -0.00357 0.00754 0.00502 -0.00171 72 4PZ 0.00563 -0.00418 -0.00166 -0.01155 0.00473 73 5PX 0.03290 0.00240 -0.01042 0.03198 0.01399 74 5PY 0.02603 -0.00180 -0.01943 -0.01594 0.00821 75 5PZ -0.00586 0.00001 0.00832 0.03390 -0.01801 76 6PX 0.01410 0.01507 0.01381 -0.01056 0.02197 77 6PY 0.03280 0.00142 0.00088 0.01551 0.00346 78 6PZ -0.00012 -0.00598 -0.01364 -0.02452 0.00760 79 7D 0 -0.14814 -0.07821 0.21591 -0.05817 0.12300 80 7D+1 -0.05151 -0.27493 0.33522 -0.15335 0.14997 81 7D-1 0.13162 0.15241 -0.19688 -0.15506 0.18938 82 7D+2 -0.13801 0.08211 -0.05332 -0.14852 0.14935 83 7D-2 0.19468 -0.04470 -0.07743 -0.00113 0.17488 84 8D 0 -0.05026 -0.02686 0.07254 -0.02067 0.04354 85 8D+1 -0.01876 -0.09260 0.11197 -0.04942 0.04915 86 8D-1 0.04416 0.05261 -0.06438 -0.05016 0.06419 87 8D+2 -0.04541 0.02652 -0.01807 -0.04778 0.04911 88 8D-2 0.06594 -0.01472 -0.02544 -0.00025 0.06098 89 5 Cu 1S -0.00150 -0.00160 -0.00044 -0.00082 0.00057 90 2S -0.08952 -0.00141 0.04115 0.06460 0.00522 91 3S -0.12422 -0.05936 0.03880 0.04783 0.10865 92 4PX -0.00799 0.00351 -0.00531 0.00789 0.00326 93 4PY 0.00667 -0.00399 -0.00958 0.00501 -0.00021 94 4PZ 0.00093 -0.00256 0.00839 0.00298 -0.00310 95 5PX 0.02798 0.00289 0.01352 -0.02940 -0.02462 96 5PY -0.00836 -0.00182 0.03426 -0.01195 0.00886 97 5PZ 0.02557 0.00410 -0.02575 -0.00677 0.00189 98 6PX 0.01089 0.01474 -0.01246 0.01518 -0.01981 99 6PY 0.01322 -0.01122 -0.02167 0.00144 0.01371 100 6PZ 0.03725 0.00355 0.00692 -0.00719 -0.02173 101 7D 0 0.20726 -0.04652 0.05381 -0.05321 -0.10024 102 7D+1 0.17085 0.01744 -0.12065 -0.15084 0.06398 103 7D-1 0.12308 0.13130 -0.16669 -0.11575 0.18913 104 7D+2 0.02060 0.01987 -0.11134 -0.00091 0.00243 105 7D-2 -0.06344 -0.28243 0.09611 0.31296 -0.17480 106 8D 0 0.06938 -0.01475 0.01641 -0.01645 -0.03491 107 8D+1 0.05847 0.00598 -0.03988 -0.05156 0.02103 108 8D-1 0.04136 0.04521 -0.05379 -0.03919 0.06204 109 8D+2 0.00726 0.00653 -0.03640 -0.00040 -0.00053 110 8D-2 -0.02282 -0.09538 0.03312 0.10378 -0.05805 111 6 Cu 1S 0.00307 -0.00051 0.00000 0.00047 0.00001 112 2S 0.04907 0.01495 -0.00009 -0.00431 0.00021 113 3S 0.45420 -0.00447 -0.00042 -0.00188 0.00024 114 4PX 0.00701 -0.00663 -0.00753 -0.00194 0.00055 115 4PY -0.01116 0.01058 -0.00458 0.00363 0.00013 116 4PZ -0.00807 0.00598 -0.00025 -0.00747 0.00037 117 5PX -0.10358 0.06482 0.00135 -0.00093 0.00582 118 5PY 0.16517 -0.10325 0.00108 0.00120 0.00198 119 5PZ 0.11766 -0.06621 0.00003 0.00333 0.00118 120 6PX 0.00327 -0.00466 -0.01931 -0.00757 -0.00136 121 6PY -0.00646 0.00744 -0.01159 0.01295 -0.00132 122 6PZ 0.02468 0.00080 -0.00073 -0.01573 0.00020 123 7D 0 -0.00378 0.00480 -0.00180 -0.02810 0.05320 124 7D+1 -0.00532 0.07968 -0.00299 0.03294 0.20787 125 7D-1 0.00850 -0.12546 -0.00330 -0.04787 0.08615 126 7D+2 -0.01060 0.04947 0.08628 -0.03831 0.10600 127 7D-2 -0.01946 0.10270 -0.04334 -0.07546 -0.10961 128 8D 0 -0.00046 0.00108 -0.00059 -0.01048 0.01552 129 8D+1 -0.00277 0.02610 -0.00222 0.00997 0.06033 130 8D-1 0.00441 -0.04110 -0.00185 -0.01443 0.02503 131 8D+2 -0.00360 0.01590 0.02715 -0.01187 0.03068 132 8D-2 -0.00670 0.03305 -0.01364 -0.02329 -0.03169 133 7 Cu 1S 0.00425 0.00185 -0.00002 -0.00010 0.00001 134 2S -0.11024 0.12288 -0.00014 -0.00226 0.00023 135 3S 0.12984 0.30653 -0.00120 -0.00557 0.00123 136 4PX 0.00234 -0.00366 0.00255 0.00079 -0.00014 137 4PY -0.00356 0.00581 0.00153 -0.00145 0.00001 138 4PZ -0.00451 0.00655 0.00007 0.00238 -0.00010 139 5PX -0.00858 0.03489 -0.03592 -0.01172 0.00661 140 5PY 0.01319 -0.05521 -0.02150 0.02117 0.00173 141 5PZ 0.01369 -0.05391 -0.00100 -0.03298 0.00244 142 6PX 0.01228 0.01783 0.03981 0.01240 -0.00522 143 6PY -0.01824 -0.02800 0.02416 -0.02235 -0.00142 144 6PZ -0.03626 -0.01438 0.00147 0.03687 -0.00265 145 7D 0 -0.01455 0.00706 0.00524 0.17849 0.04420 146 7D+1 -0.13557 0.12968 0.12774 -0.00971 0.22287 147 7D-1 0.21860 -0.20420 0.08254 0.00858 0.07992 148 7D+2 -0.07131 0.07612 -0.07445 0.00588 0.15537 149 7D-2 -0.15025 0.16077 0.03740 0.00297 -0.15381 150 8D 0 -0.00474 0.00242 0.00172 0.05941 0.01462 151 8D+1 -0.04439 0.04263 0.04247 -0.00324 0.07379 152 8D-1 0.07159 -0.06715 0.02745 0.00282 0.02647 153 8D+2 -0.02320 0.02502 -0.02477 0.00191 0.05149 154 8D-2 -0.04891 0.05288 0.01246 0.00093 -0.05096 155 8 C 1S 0.00548 -0.00942 0.00002 0.00127 -0.00005 156 2S -0.01791 0.02862 -0.00007 -0.00282 0.00017 157 3S 0.02560 -0.02461 0.00014 -0.00194 -0.00043 158 4PX 0.01030 -0.01713 0.00833 0.00250 0.00159 159 4PY -0.01697 0.02820 0.00498 -0.00456 0.00115 160 4PZ -0.00167 0.00156 0.00025 0.00880 0.00029 161 5PX -0.02372 0.00841 0.00670 0.00288 -0.00090 162 5PY 0.03776 -0.01375 0.00399 -0.00481 -0.00023 163 5PZ 0.02138 -0.00026 0.00029 0.00453 -0.00036 164 9 O 1S -0.00122 0.00202 0.00000 -0.00007 0.00001 165 2S 0.00116 -0.00683 0.00002 0.00035 -0.00009 166 3S 0.01495 -0.00257 -0.00006 -0.00183 0.00023 167 4PX -0.00597 0.01305 -0.01657 -0.00111 -0.00384 168 4PY 0.01009 -0.02145 -0.01000 0.00273 -0.00243 169 4PZ -0.00104 -0.00346 -0.00052 -0.01961 -0.00077 170 5PX -0.00024 0.00046 -0.00953 -0.00027 -0.00152 171 5PY 0.00084 -0.00066 -0.00580 0.00088 -0.00079 172 5PZ -0.00540 -0.00367 -0.00032 -0.01035 -0.00022 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29031 -0.27837 -0.27789 -0.27783 -0.27754 1 1 Cu 1S -0.00034 -0.00122 -0.00054 0.00023 0.00086 2 2S 0.01155 -0.02114 0.00232 0.01271 0.00345 3 3S -0.03098 -0.11542 -0.01642 0.03992 0.05160 4 4PX -0.00515 -0.00017 0.00367 -0.00348 -0.00090 5 4PY -0.00018 0.00152 -0.00401 -0.00200 0.00217 6 4PZ -0.00106 -0.00175 -0.00253 -0.00243 0.00271 7 5PX 0.01326 -0.00703 -0.01429 0.02527 -0.00218 8 5PY -0.00531 -0.01181 0.00277 0.00820 0.00123 9 5PZ 0.00382 0.02171 -0.00102 0.01023 -0.01641 10 6PX -0.01589 -0.01551 -0.00072 0.01566 0.00203 11 6PY -0.01287 -0.00332 0.01490 0.00563 -0.00821 12 6PZ -0.00323 0.03019 -0.00691 -0.00512 -0.00928 13 7D 0 -0.30323 0.11374 -0.25448 0.10622 -0.17027 14 7D+1 -0.04471 -0.00653 0.11771 0.11037 -0.18674 15 7D-1 -0.03108 -0.13144 0.08166 0.11259 -0.25292 16 7D+2 0.31075 0.20184 0.06515 -0.15855 0.08483 17 7D-2 0.05766 0.00510 -0.25926 -0.04113 -0.17749 18 8D 0 -0.10280 0.03643 -0.08590 0.03384 -0.05646 19 8D+1 -0.01643 -0.00266 0.04107 0.03660 -0.06370 20 8D-1 -0.01242 -0.04397 0.02883 0.03724 -0.08485 21 8D+2 0.10512 0.06650 0.02179 -0.05144 0.02899 22 8D-2 0.01625 0.00141 -0.08682 -0.01464 -0.05822 23 2 Cu 1S 0.00038 0.00080 -0.00087 -0.00007 -0.00100 24 2S 0.01162 0.01593 -0.00499 -0.00288 -0.02266 25 3S 0.09669 0.07369 -0.04876 -0.03136 -0.10082 26 4PX 0.00073 -0.00240 0.00226 -0.00110 0.00242 27 4PY -0.00016 0.00079 -0.00032 0.00454 -0.00214 28 4PZ -0.00382 0.00082 -0.00472 0.00100 0.00213 29 5PX 0.00765 0.01660 -0.01296 -0.00972 -0.02116 30 5PY 0.00787 -0.00200 -0.01495 -0.01049 0.00893 31 5PZ 0.02277 0.00359 0.01884 0.01038 -0.01483 32 6PX 0.02189 0.01524 -0.00353 -0.02355 -0.02385 33 6PY 0.01128 -0.00920 0.00379 -0.00564 0.01176 34 6PZ 0.01026 -0.00544 0.01422 -0.00078 -0.00029 35 7D 0 0.07970 0.23761 0.34380 -0.06334 0.02448 36 7D+1 -0.12583 -0.03294 -0.21038 -0.07318 0.03370 37 7D-1 0.18781 0.13805 -0.00247 -0.09584 -0.16472 38 7D+2 0.03810 0.17699 0.00704 0.37013 0.07778 39 7D-2 0.07370 0.03746 0.10455 0.01210 -0.06080 40 8D 0 0.02895 0.07877 0.11445 -0.02277 0.00935 41 8D+1 -0.04317 -0.01210 -0.06983 -0.02356 0.01062 42 8D-1 0.06236 0.04555 -0.00085 -0.03115 -0.05377 43 8D+2 0.01265 0.06031 -0.00011 0.12431 0.02588 44 8D-2 0.02593 0.01306 0.03492 0.00394 -0.01916 45 3 Cu 1S -0.00013 0.00013 0.00092 0.00102 0.00071 46 2S -0.03731 0.00294 0.01574 0.01878 0.01522 47 3S -0.12700 0.01216 0.06907 0.07314 0.09341 48 4PX -0.00020 -0.00104 0.00176 -0.00489 0.00005 49 4PY 0.00037 -0.00005 0.00486 0.00240 -0.00039 50 4PZ 0.00438 -0.00014 0.00124 0.00095 -0.00278 51 5PX 0.00035 0.01203 -0.01762 0.02141 0.01040 52 5PY 0.00329 0.00396 -0.02284 -0.00185 -0.01745 53 5PZ -0.03326 0.00291 0.00578 0.01134 0.01210 54 6PX -0.00424 0.00268 -0.00102 0.01167 0.01506 55 6PY 0.01448 -0.00181 -0.01510 -0.00604 -0.02952 56 6PZ -0.02328 -0.00007 -0.00608 -0.00699 0.01328 57 7D 0 -0.03329 0.06901 0.03762 0.01896 0.22489 58 7D+1 0.06010 0.24486 -0.01271 0.02928 -0.16924 59 7D-1 -0.10964 0.17211 -0.10981 -0.10542 0.23046 60 7D+2 0.00439 -0.30235 0.08683 -0.21923 0.08339 61 7D-2 -0.00270 0.15018 -0.21994 -0.07733 0.07869 62 8D 0 -0.01115 0.02272 0.01201 0.00555 0.07368 63 8D+1 0.02035 0.08093 -0.00295 0.01001 -0.05622 64 8D-1 -0.03763 0.05694 -0.03714 -0.03694 0.07711 65 8D+2 0.00080 -0.10145 0.02683 -0.07276 0.02858 66 8D-2 -0.00215 0.05052 -0.07318 -0.02753 0.02695 67 4 Cu 1S 0.00042 -0.00098 0.00006 -0.00066 -0.00102 68 2S 0.00505 -0.01800 -0.00460 0.00044 -0.02028 69 3S 0.08575 -0.08972 -0.02671 -0.03209 -0.09474 70 4PX 0.00020 -0.00088 -0.00325 -0.00060 0.00052 71 4PY -0.00087 -0.00232 0.00347 -0.00011 -0.00363 72 4PZ -0.00317 -0.00143 0.00223 -0.00471 0.00119 73 5PX -0.01254 0.01145 0.00899 0.01533 0.00663 74 5PY -0.00194 0.01708 0.00167 -0.00376 0.02174 75 5PZ 0.01755 0.00239 0.00571 0.02562 -0.00975 76 6PX -0.02113 0.00167 0.01858 -0.00038 0.00072 77 6PY -0.01239 0.02147 0.01632 0.00168 0.02283 78 6PZ 0.00624 0.00938 0.00020 0.01342 0.00375 79 7D 0 0.08969 -0.16532 -0.06638 0.39438 0.11087 80 7D+1 -0.09303 0.17857 0.12599 0.02202 0.06249 81 7D-1 0.23263 -0.08245 0.05436 0.14846 -0.08939 82 7D+2 0.11162 -0.02191 -0.16812 0.07044 -0.08543 83 7D-2 0.06105 -0.12473 0.33903 0.09153 0.03547 84 8D 0 0.03292 -0.05533 -0.02377 0.13071 0.03826 85 8D+1 -0.03078 0.05823 0.04157 0.00733 0.02030 86 8D-1 0.07800 -0.02839 0.01873 0.04885 -0.02898 87 8D+2 0.03838 -0.00703 -0.05636 0.02418 -0.02707 88 8D-2 0.02097 -0.04283 0.11455 0.02875 0.01179 89 5 Cu 1S -0.00027 0.00125 0.00033 -0.00072 0.00061 90 2S 0.00998 0.02322 0.00886 0.00336 0.00055 91 3S -0.02114 0.12140 0.03526 -0.02567 0.03218 92 4PX 0.00385 0.00134 0.00304 0.00271 -0.00202 93 4PY 0.00479 -0.00135 0.00330 -0.00453 0.00087 94 4PZ -0.00088 0.00154 -0.00081 -0.00345 0.00226 95 5PX -0.00722 -0.01121 -0.02084 0.00103 0.00746 96 5PY -0.01512 0.00299 -0.01938 0.00879 0.00743 97 5PZ 0.00377 -0.02379 0.00447 0.00697 -0.01352 98 6PX 0.01846 -0.00752 -0.00779 -0.01272 0.00774 99 6PY 0.00902 -0.00808 -0.01088 0.00885 -0.00214 100 6PZ -0.00197 -0.03477 -0.00399 -0.00503 -0.00537 101 7D 0 -0.27120 -0.16329 0.10831 -0.24974 -0.09132 102 7D+1 0.17406 -0.07864 -0.10991 -0.15840 0.31720 103 7D-1 0.16260 0.04502 -0.07622 -0.00620 0.05696 104 7D+2 -0.06719 0.04680 0.05872 -0.21079 -0.29115 105 7D-2 0.26191 -0.20637 -0.11107 -0.02178 0.00703 106 8D 0 -0.09137 -0.05351 0.03518 -0.08556 -0.02982 107 8D+1 0.06034 -0.02697 -0.03535 -0.05457 0.10673 108 8D-1 0.05468 0.01475 -0.02462 -0.00233 0.01979 109 8D+2 -0.02639 0.01548 0.01825 -0.07068 -0.09647 110 8D-2 0.08729 -0.06767 -0.03624 -0.00707 0.00288 111 6 Cu 1S -0.00003 -0.00009 -0.00042 -0.00072 0.00043 112 2S -0.00051 0.00079 0.00436 0.00819 -0.00561 113 3S 0.00026 0.00080 0.00385 0.00739 -0.00545 114 4PX 0.00000 0.00606 -0.01427 0.01676 -0.00141 115 4PY 0.00048 0.00239 -0.01614 -0.00335 0.00862 116 4PZ -0.00099 0.00155 0.00771 0.01481 -0.00978 117 5PX -0.00144 -0.02475 0.05776 -0.06958 0.00599 118 5PY 0.00636 -0.00931 0.06722 0.01521 -0.03546 119 5PZ -0.00426 -0.00625 -0.03143 -0.06057 0.03994 120 6PX -0.00078 0.01077 -0.02328 0.02753 -0.00195 121 6PY 0.00233 0.00412 -0.02669 -0.00536 0.01404 122 6PZ -0.00224 0.00241 0.01051 0.02056 -0.01424 123 7D 0 -0.15780 0.00363 0.08904 0.19826 -0.18377 124 7D+1 -0.00314 -0.02858 -0.18621 0.03968 0.06602 125 7D-1 0.13325 0.01076 -0.03081 0.16905 -0.01419 126 7D+2 0.10822 -0.08510 0.21833 -0.06078 -0.02599 127 7D-2 0.12491 0.07137 -0.03157 0.13863 -0.00026 128 8D 0 -0.04594 0.00182 0.02829 0.06165 -0.05483 129 8D+1 -0.00088 -0.00628 -0.05650 0.01156 0.02026 130 8D-1 0.03863 0.00425 -0.00982 0.05102 -0.00596 131 8D+2 0.03126 -0.02514 0.06824 -0.01954 -0.00988 132 8D-2 0.03609 0.02078 -0.01042 0.04388 -0.00227 133 7 Cu 1S -0.00004 -0.00004 -0.00024 -0.00047 0.00037 134 2S -0.00119 0.00039 0.00238 0.00432 -0.00288 135 3S -0.00482 -0.00206 -0.01114 -0.02197 0.01726 136 4PX 0.00005 -0.00203 0.00672 -0.00746 0.00034 137 4PY -0.00021 -0.00082 0.00705 0.00086 -0.00382 138 4PZ 0.00015 -0.00059 -0.00350 -0.00697 0.00507 139 5PX -0.00109 0.01004 -0.03372 0.03327 0.00025 140 5PY 0.00654 0.00467 -0.03181 -0.00005 0.01532 141 5PZ -0.00648 0.00319 0.01863 0.03705 -0.02703 142 6PX 0.00061 -0.00422 0.00734 -0.00933 0.00129 143 6PY -0.00576 -0.00160 0.00894 0.00248 -0.00542 144 6PZ 0.00864 -0.00075 -0.00233 -0.00458 0.00312 145 7D 0 -0.13563 0.08844 0.13431 0.13600 0.15546 146 7D+1 -0.02327 0.32923 0.01885 -0.01888 0.00381 147 7D-1 0.17139 0.12335 -0.10394 -0.11193 -0.17473 148 7D+2 0.15356 0.16425 0.01638 -0.11450 -0.18885 149 7D-2 0.16847 -0.18169 -0.11167 0.01535 -0.20878 150 8D 0 -0.04497 0.02790 0.04222 0.04255 0.04936 151 8D+1 -0.00770 0.10403 0.00650 -0.00562 0.00084 152 8D-1 0.05683 0.03883 -0.03312 -0.03627 -0.05471 153 8D+2 0.05097 0.05215 0.00486 -0.03586 -0.05974 154 8D-2 0.05591 -0.05754 -0.03499 0.00502 -0.06622 155 8 C 1S 0.00014 -0.00002 -0.00009 0.00005 -0.00026 156 2S -0.00068 -0.00010 -0.00038 -0.00103 0.00094 157 3S 0.00264 0.00069 0.00303 0.00424 -0.00090 158 4PX 0.00062 -0.00902 0.02600 -0.01838 -0.00339 159 4PY -0.00007 -0.00499 0.01860 -0.00686 -0.00421 160 4PZ -0.00130 -0.00301 -0.01461 -0.02768 0.01801 161 5PX 0.00019 -0.00136 0.00354 -0.00466 0.00045 162 5PY -0.00161 -0.00041 0.00422 0.00100 -0.00291 163 5PZ 0.00208 -0.00007 -0.00070 -0.00192 0.00248 164 9 O 1S -0.00003 -0.00001 -0.00011 -0.00025 0.00028 165 2S 0.00041 0.00013 0.00078 0.00147 -0.00109 166 3S -0.00135 -0.00018 -0.00032 -0.00006 -0.00117 167 4PX -0.00094 0.01354 -0.04425 0.02725 0.00741 168 4PY -0.00030 0.00816 -0.02735 0.01605 0.00442 169 4PZ 0.00266 0.00482 0.02486 0.04736 -0.03221 170 5PX 0.00005 0.00642 -0.02270 0.01461 0.00373 171 5PY -0.00060 0.00382 -0.01441 0.00787 0.00282 172 5PZ 0.00068 0.00223 0.01235 0.02396 -0.01711 56 57 58 59 60 O O O O O EIGENVALUES -- -0.27191 -0.27183 -0.26805 -0.26748 -0.26719 1 1 Cu 1S 0.00186 -0.00232 0.00034 -0.00118 0.00076 2 2S -0.04552 0.05596 -0.00154 0.05255 0.00785 3 3S -0.01050 0.00857 0.04744 0.04048 0.13564 4 4PX 0.00490 -0.00235 -0.00279 -0.00259 -0.00160 5 4PY 0.00432 -0.00488 -0.00178 -0.00697 -0.00658 6 4PZ -0.00492 0.00705 0.00068 0.00260 0.00492 7 5PX 0.00087 0.01836 0.00530 0.00364 0.02083 8 5PY -0.00968 0.01183 0.01316 0.02464 0.04526 9 5PZ 0.02104 -0.00550 -0.01738 -0.00122 -0.03144 10 6PX 0.00368 0.00225 -0.00083 0.00155 0.01114 11 6PY -0.00432 0.00267 0.00722 0.01337 0.02510 12 6PZ 0.00117 0.00210 -0.00981 0.00072 -0.01542 13 7D 0 0.11872 0.12443 -0.03505 -0.02101 0.07716 14 7D+1 0.12088 -0.02315 -0.00188 -0.10273 0.02946 15 7D-1 -0.22013 0.20684 0.20406 0.13572 0.41942 16 7D+2 -0.02362 -0.10564 0.03781 0.15093 0.10598 17 7D-2 0.13736 -0.17121 -0.02380 -0.22717 -0.27918 18 8D 0 0.03858 0.04019 -0.01124 -0.00599 0.02499 19 8D+1 0.03878 -0.00710 -0.00066 -0.03301 0.00905 20 8D-1 -0.07163 0.06729 0.06565 0.04450 0.13515 21 8D+2 -0.00769 -0.03387 0.01189 0.05002 0.03418 22 8D-2 0.04463 -0.05571 -0.00785 -0.07379 -0.08985 23 2 Cu 1S -0.00178 -0.00258 -0.00050 -0.00114 -0.00071 24 2S 0.04833 0.07388 -0.01773 0.04900 0.00097 25 3S 0.01061 0.03143 -0.12244 -0.00108 -0.07587 26 4PX -0.00647 -0.01177 0.00642 -0.00108 0.00284 27 4PY -0.00321 -0.00164 0.00327 -0.00460 0.00327 28 4PZ -0.00065 -0.00389 0.00504 -0.00572 0.00089 29 5PX 0.01009 0.02995 -0.04257 -0.01632 -0.02387 30 5PY -0.00411 0.01513 -0.02315 0.02036 -0.01132 31 5PZ 0.01942 0.00518 -0.02578 0.02571 -0.01796 32 6PX -0.00030 0.00390 -0.02254 -0.00690 -0.01381 33 6PY -0.00143 0.00743 -0.01211 0.00092 -0.00382 34 6PZ 0.00677 0.00343 -0.01142 0.00653 -0.01153 35 7D 0 0.01732 0.02172 -0.08238 -0.25237 0.00117 36 7D+1 -0.26194 -0.17791 0.29531 -0.02822 0.21421 37 7D-1 0.12081 0.20172 -0.03788 -0.03999 -0.00514 38 7D+2 -0.03222 -0.19378 0.19951 -0.00037 0.12149 39 7D-2 -0.01315 -0.32794 0.32400 -0.15107 0.11897 40 8D 0 0.00554 0.00725 -0.02614 -0.08141 0.00046 41 8D+1 -0.08513 -0.05798 0.09542 -0.01001 0.06871 42 8D-1 0.03882 0.06513 -0.01233 -0.01295 -0.00176 43 8D+2 -0.01083 -0.06303 0.06391 0.00006 0.03869 44 8D-2 -0.00456 -0.10649 0.10454 -0.04942 0.03846 45 3 Cu 1S -0.00308 0.00040 0.00140 -0.00060 -0.00006 46 2S 0.09465 -0.01282 -0.01213 0.05051 -0.00130 47 3S 0.04419 -0.00736 0.12876 0.05553 -0.00856 48 4PX -0.00299 0.00241 -0.00109 0.00232 -0.00165 49 4PY 0.00911 -0.00032 0.00307 -0.00249 -0.00072 50 4PZ -0.01184 0.00191 -0.00480 -0.01044 0.00052 51 5PX 0.00714 0.01635 0.01108 -0.01689 -0.00250 52 5PY -0.01611 0.01205 -0.03059 0.02296 -0.00189 53 5PZ 0.03763 -0.00358 0.04315 0.04614 -0.00470 54 6PX -0.00127 0.00630 0.00480 -0.00226 -0.00437 55 6PY 0.00182 0.00318 -0.01542 0.00234 -0.00180 56 6PZ 0.01311 -0.00135 0.02673 0.01072 -0.00243 57 7D 0 -0.14929 0.01048 -0.21030 -0.25616 0.03925 58 7D+1 -0.23929 -0.03654 -0.15085 -0.02598 0.08135 59 7D-1 0.43469 -0.07852 0.38369 0.07752 0.02099 60 7D+2 -0.10414 -0.16505 0.03111 -0.08820 0.00568 61 7D-2 -0.19336 0.15935 -0.01739 -0.17717 -0.00312 62 8D 0 -0.04905 0.00342 -0.06746 -0.08301 0.01259 63 8D+1 -0.07766 -0.01205 -0.04843 -0.00847 0.02589 64 8D-1 0.14129 -0.02563 0.12306 0.02506 0.00665 65 8D+2 -0.03361 -0.05328 0.00980 -0.02907 0.00178 66 8D-2 -0.06260 0.05153 -0.00582 -0.05800 -0.00085 67 4 Cu 1S -0.00098 0.00297 -0.00034 -0.00105 0.00084 68 2S 0.02520 -0.08206 -0.02030 0.04780 -0.00352 69 3S 0.00047 -0.02956 -0.11610 0.00689 0.08772 70 4PX 0.00355 -0.00944 -0.00689 0.00555 0.00456 71 4PY 0.00080 -0.00960 -0.00423 -0.00053 0.00112 72 4PZ 0.00131 0.00096 0.00338 -0.00453 0.00019 73 5PX 0.00321 0.02772 0.04479 -0.01348 -0.02859 74 5PY -0.00702 0.01934 0.02403 0.01754 -0.01986 75 5PZ 0.01694 -0.00223 -0.01345 0.02535 0.01090 76 6PX 0.00294 0.00748 0.02330 0.00003 -0.01508 77 6PY -0.00151 -0.00026 0.01179 0.00389 -0.01215 78 6PZ 0.00555 -0.00320 -0.00509 0.00881 0.00812 79 7D 0 0.06315 -0.04382 -0.14137 -0.22283 0.09979 80 7D+1 0.06687 0.13370 -0.00868 0.09874 0.06723 81 7D-1 0.18697 -0.27261 -0.19587 0.05287 0.16854 82 7D+2 0.07180 0.16141 0.21478 -0.14519 -0.07048 83 7D-2 0.01229 0.33024 0.35198 -0.11234 -0.22219 84 8D 0 0.02044 -0.01453 -0.04530 -0.07158 0.03191 85 8D+1 0.02193 0.04303 -0.00299 0.03231 0.02143 86 8D-1 0.06052 -0.08833 -0.06357 0.01771 0.05421 87 8D+2 0.02311 0.05246 0.06947 -0.04761 -0.02292 88 8D-2 0.00362 0.10754 0.11330 -0.03654 -0.07113 89 5 Cu 1S 0.00247 0.00160 0.00033 -0.00126 -0.00064 90 2S -0.05913 -0.03807 -0.00393 0.05107 -0.01396 91 3S -0.01020 -0.00497 0.03419 0.02533 -0.14400 92 4PX -0.00610 -0.00213 0.00226 0.00566 -0.00629 93 4PY -0.00064 0.00164 0.00148 -0.00155 0.00293 94 4PZ -0.00801 -0.00555 0.00052 0.00334 -0.00636 95 5PX 0.00799 0.01648 -0.00616 -0.01504 0.04524 96 5PY -0.00534 0.01033 0.00423 0.00886 -0.01305 97 5PZ 0.02289 0.00354 -0.01486 -0.00169 0.04175 98 6PX 0.00202 0.00335 -0.00128 -0.00905 0.02504 99 6PY -0.00505 0.00172 0.00500 0.00623 -0.00773 100 6PZ 0.00014 -0.00160 -0.00827 0.00075 0.02068 101 7D 0 0.08703 -0.10889 -0.06802 -0.00661 0.02445 102 7D+1 0.15581 0.18838 -0.09946 -0.06584 0.44286 103 7D-1 -0.25798 -0.01718 0.10795 0.16291 -0.26369 104 7D+2 0.10628 0.03542 0.02170 -0.17529 0.22707 105 7D-2 0.10566 0.13826 0.02579 0.02484 0.00386 106 8D 0 0.02859 -0.03506 -0.02187 -0.00158 0.00756 107 8D+1 0.05104 0.06133 -0.03198 -0.02226 0.14265 108 8D-1 -0.08345 -0.00552 0.03466 0.05297 -0.08537 109 8D+2 0.03457 0.01169 0.00693 -0.05735 0.07321 110 8D-2 0.03410 0.04457 0.00796 0.00919 0.00119 111 6 Cu 1S 0.00031 -0.00001 -0.00022 0.00063 -0.00001 112 2S 0.00629 -0.00025 -0.00176 0.00567 -0.00010 113 3S 0.01785 -0.00110 -0.02114 0.09574 -0.00405 114 4PX 0.01055 0.02043 -0.00298 0.01372 0.00062 115 4PY -0.01593 0.01347 0.00580 -0.02141 0.00136 116 4PZ 0.01606 -0.00016 0.00211 -0.01515 0.00091 117 5PX -0.03397 -0.07613 0.00588 -0.03106 0.00012 118 5PY 0.05087 -0.04979 -0.01186 0.04855 -0.00289 119 5PZ -0.06404 0.00073 -0.00445 0.03048 -0.00165 120 6PX -0.01321 -0.02291 0.00168 -0.00701 0.00039 121 6PY 0.02025 -0.01519 -0.00347 0.01072 -0.00037 122 6PZ -0.02184 0.00030 -0.00270 0.01520 -0.00045 123 7D 0 0.02361 0.00014 -0.04393 -0.00373 0.01383 124 7D+1 -0.04854 0.01940 0.03569 -0.17601 0.06577 125 7D-1 0.07843 0.00748 -0.01819 0.29211 0.01069 126 7D+2 -0.01489 -0.03388 0.05852 -0.09025 0.04088 127 7D-2 -0.03018 0.01802 0.08891 -0.20172 -0.02855 128 8D 0 0.00957 0.00000 -0.01148 -0.00172 0.00367 129 8D+1 -0.01546 0.00743 0.01114 -0.05406 0.01766 130 8D-1 0.02502 0.00323 -0.00739 0.08922 0.00233 131 8D+2 -0.00400 -0.01297 0.01655 -0.02844 0.01106 132 8D-2 -0.00794 0.00674 0.02579 -0.06288 -0.00723 133 7 Cu 1S -0.00132 0.00007 0.00111 -0.00496 0.00020 134 2S 0.00996 -0.00045 -0.00932 0.04104 -0.00155 135 3S -0.04167 0.00244 0.04081 -0.18646 0.00784 136 4PX 0.00457 0.01175 -0.00005 0.00007 0.00128 137 4PY -0.00676 0.00757 0.00106 0.00018 0.00051 138 4PZ 0.01148 -0.00018 -0.00165 0.00192 0.00027 139 5PX -0.01545 -0.02591 0.00469 -0.02035 -0.00344 140 5PY 0.02337 -0.01732 -0.01037 0.03125 -0.00301 141 5PZ -0.01853 -0.00004 -0.00199 0.02759 -0.00230 142 6PX -0.00288 -0.00047 0.00309 -0.01381 -0.00066 143 6PY 0.00441 -0.00064 -0.00535 0.02190 -0.00133 144 6PZ 0.00588 -0.00030 -0.00170 0.00878 -0.00064 145 7D 0 0.14805 -0.00202 -0.02945 -0.10253 0.01676 146 7D+1 -0.01730 0.08858 -0.02592 0.15198 0.03936 147 7D-1 0.03187 0.05721 0.07505 -0.22731 0.03278 148 7D+2 0.04553 -0.14935 0.01157 0.04833 0.00942 149 7D-2 0.10216 0.06764 0.00630 0.10295 -0.02093 150 8D 0 0.04552 -0.00062 -0.00777 -0.03228 0.00478 151 8D+1 -0.00460 0.02734 -0.00854 0.04972 0.01032 152 8D-1 0.00865 0.01775 0.02305 -0.07492 0.00964 153 8D+2 0.01421 -0.04570 0.00241 0.01607 0.00193 154 8D-2 0.03185 0.02065 0.00031 0.03449 -0.00564 155 8 C 1S 0.00564 -0.00026 -0.00678 0.03087 -0.00124 156 2S -0.01080 0.00050 0.01335 -0.06293 0.00267 157 3S -0.02323 0.00104 0.03498 -0.15078 0.00549 158 4PX 0.00722 -0.01394 -0.01028 0.04668 -0.00144 159 4PY -0.01265 -0.00769 0.01680 -0.07679 0.00337 160 4PZ -0.01397 0.00029 0.00096 -0.00662 0.00041 161 5PX 0.00407 0.00457 -0.00114 0.00484 -0.00189 162 5PY -0.00632 0.00312 0.00121 -0.00845 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29 5PX 0.01012 0.00262 0.01732 -0.01201 0.00013 30 5PY -0.04004 0.02628 -0.00353 0.02576 0.00276 31 5PZ -0.01274 -0.02675 -0.00663 0.01730 -0.00397 32 6PX 0.00552 0.00346 0.00141 0.00764 0.00073 33 6PY -0.00329 0.01567 -0.00234 0.01130 0.00001 34 6PZ 0.00945 -0.00824 -0.00097 0.01382 -0.00201 35 7D 0 -0.05244 0.31516 0.08365 -0.22233 -0.28198 36 7D+1 0.06438 -0.00224 -0.09368 -0.10448 0.17028 37 7D-1 -0.05729 0.00063 0.10380 0.09830 -0.01497 38 7D+2 -0.30772 0.13310 -0.15187 0.30775 -0.19042 39 7D-2 0.13929 -0.08928 -0.10584 -0.16791 -0.09583 40 8D 0 -0.01588 0.10202 0.02664 -0.07235 -0.08854 41 8D+1 0.01983 -0.00054 -0.02955 -0.03378 0.05400 42 8D-1 -0.02015 -0.00076 0.03205 0.03182 -0.00405 43 8D+2 -0.10071 0.04225 -0.04800 0.10004 -0.05997 44 8D-2 0.04516 -0.03009 -0.03350 -0.05507 -0.03027 45 3 Cu 1S 0.00001 -0.00043 -0.00101 -0.00169 -0.00004 46 2S 0.00262 0.00161 0.02882 -0.02560 -0.00020 47 3S 0.00378 -0.01723 0.00524 -0.09629 -0.00218 48 4PX 0.00546 -0.00081 -0.00186 -0.00424 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3S 0.02604 0.00625 0.00633 0.08342 -0.00058 70 4PX 0.00521 0.00514 0.00357 0.00284 -0.00003 71 4PY -0.00337 -0.00246 0.00438 -0.00626 0.00034 72 4PZ -0.00342 0.00338 0.00085 -0.00236 -0.00059 73 5PX -0.02691 -0.02423 -0.00566 -0.01775 0.00012 74 5PY 0.02718 0.02156 -0.01533 0.02187 -0.00047 75 5PZ 0.01922 -0.02607 -0.00949 0.01336 0.00356 76 6PX 0.00457 -0.01239 0.00176 -0.01526 -0.00094 77 6PY 0.00611 0.00853 -0.00300 -0.00065 0.00063 78 6PZ -0.00537 -0.01160 -0.00160 0.00974 0.00210 79 7D 0 -0.01801 0.29258 0.08404 -0.19273 0.31851 80 7D+1 -0.01401 -0.12290 -0.08944 0.00691 0.00602 81 7D-1 0.14699 0.01285 0.09290 0.22306 0.13800 82 7D+2 -0.21050 -0.17347 -0.02387 -0.23652 0.00921 83 7D-2 0.17750 0.14054 -0.19763 0.17424 0.18857 84 8D 0 -0.00731 0.09445 0.02687 -0.06272 0.10028 85 8D+1 -0.00598 -0.03970 -0.02784 0.00203 0.00269 86 8D-1 0.04831 0.00352 0.02889 0.07235 0.04345 87 8D+2 -0.06808 -0.05717 -0.00775 -0.07739 0.00264 88 8D-2 0.05878 0.04471 -0.06248 0.05656 0.05943 89 5 Cu 1S -0.00017 -0.00077 -0.00149 -0.00050 -0.00008 90 2S 0.00896 0.04143 0.03477 -0.00696 0.00053 91 3S 0.01422 0.03629 0.00618 -0.03150 -0.00247 92 4PX 0.00517 0.00548 0.00321 0.00285 -0.00050 93 4PY 0.00099 -0.00785 0.00003 0.00585 -0.00054 94 4PZ -0.00235 0.00063 0.00557 -0.00078 0.00063 95 5PX -0.03226 -0.01846 -0.00264 -0.01021 0.00233 96 5PY -0.00951 0.04771 -0.00489 -0.02540 0.00289 97 5PZ 0.01982 0.01035 -0.01751 0.00508 -0.00224 98 6PX -0.00685 0.00664 0.00279 0.00040 0.00098 99 6PY -0.01139 0.00916 -0.00505 -0.00771 0.00200 100 6PZ 0.00810 0.00281 -0.00425 0.00343 -0.00055 101 7D 0 0.05529 0.23618 -0.08212 -0.07729 0.14908 102 7D+1 0.15469 -0.03587 -0.19970 -0.07132 -0.21884 103 7D-1 0.01653 0.25176 0.13756 -0.11944 -0.05136 104 7D+2 -0.35419 0.12534 -0.07478 -0.01838 0.30974 105 7D-2 -0.02826 0.06091 -0.09073 0.00024 -0.01851 106 8D 0 0.01868 0.07711 -0.02608 -0.02452 0.04695 107 8D+1 0.05053 -0.01021 -0.06348 -0.02365 -0.06906 108 8D-1 0.00513 0.08247 0.04339 -0.03974 -0.01615 109 8D+2 -0.11431 0.04099 -0.02372 -0.00621 0.09775 110 8D-2 -0.01025 0.01880 -0.02821 -0.00022 -0.00538 111 6 Cu 1S 0.00000 0.00068 -0.00006 0.00011 0.00000 112 2S -0.00004 -0.00165 0.01900 -0.00003 0.00001 113 3S -0.00044 0.05115 -0.01965 -0.00164 -0.00003 114 4PX -0.01236 0.00285 0.00403 -0.00006 -0.00091 115 4PY -0.00752 -0.00420 -0.00635 0.00009 -0.00057 116 4PZ -0.00004 -0.02051 -0.00651 0.00034 -0.00001 117 5PX 0.06169 0.00643 0.01330 0.00045 0.00318 118 5PY 0.03808 -0.01181 -0.02161 -0.00113 0.00196 119 5PZ 0.00041 0.07977 -0.00460 -0.00050 0.00001 120 6PX -0.00815 -0.00725 -0.00552 0.00052 0.00090 121 6PY -0.00514 0.01148 0.00916 -0.00022 0.00055 122 6PZ -0.00019 0.00187 -0.00369 -0.00007 0.00001 123 7D 0 -0.00181 -0.12987 -0.01506 0.13585 0.00286 124 7D+1 -0.07189 -0.05850 -0.03810 0.00693 0.00000 125 7D-1 -0.04704 0.09312 0.05958 -0.11964 -0.00256 126 7D+2 0.11082 -0.08710 -0.02871 -0.09672 0.00162 127 7D-2 -0.05145 -0.17760 -0.05882 -0.11258 -0.00416 128 8D 0 -0.00054 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-0.02616 148 7D+2 -0.14563 0.08232 -0.15559 0.05960 0.05633 149 7D-2 0.06973 0.16859 -0.32684 0.07844 -0.02524 150 8D 0 0.00034 0.04087 0.00506 -0.04606 -0.00146 151 8D+1 0.02661 0.01558 -0.08996 0.00342 -0.01385 152 8D-1 0.01762 -0.02493 0.14297 0.02721 -0.00825 153 8D+2 -0.04623 0.02651 -0.04907 0.01918 0.01784 154 8D-2 0.02212 0.05431 -0.10307 0.02519 -0.00799 155 8 C 1S -0.00018 0.01740 0.01270 -0.00023 0.00000 156 2S 0.00036 -0.03527 -0.02380 0.00074 0.00000 157 3S 0.00088 -0.08810 -0.07820 -0.00046 -0.00004 158 4PX 0.01671 0.02779 0.01891 -0.00087 0.00086 159 4PY 0.01082 -0.04598 -0.03113 0.00002 0.00052 160 4PZ 0.00013 0.01716 0.00015 0.00212 0.00005 161 5PX 0.00117 0.00247 0.01153 -0.00015 0.00014 162 5PY 0.00072 -0.00417 -0.01876 0.00044 0.00008 163 5PZ 0.00000 0.00264 -0.00349 -0.00074 0.00000 164 9 O 1S 0.00003 -0.00327 -0.00178 0.00006 0.00000 165 2S -0.00008 0.00868 0.00620 -0.00047 0.00000 166 3S -0.00018 0.01664 0.00304 0.00075 0.00001 167 4PX -0.02512 -0.01929 -0.01222 0.00121 -0.00129 168 4PY -0.01569 0.03241 0.02048 0.00030 -0.00078 169 4PZ -0.00013 -0.03342 -0.00873 -0.00368 -0.00008 170 5PX -0.01311 -0.00752 -0.00597 0.00020 -0.00072 171 5PY -0.00812 0.01281 0.00996 0.00050 -0.00042 172 5PZ -0.00004 -0.01885 -0.00385 -0.00107 -0.00003 66 67 68 69 70 O O O O O EIGENVALUES -- -0.25881 -0.25767 -0.25764 -0.25257 -0.25161 1 1 Cu 1S -0.00163 0.00022 0.00037 -0.00002 -0.00039 2 2S -0.02252 -0.01949 -0.00775 0.00176 -0.00303 3 3S -0.09783 -0.00763 0.01118 0.00114 -0.02765 4 4PX -0.00093 -0.00460 0.00667 -0.01008 -0.00831 5 4PY 0.00460 0.00495 0.00237 -0.00061 -0.00321 6 4PZ 0.00765 -0.00017 0.00456 -0.00653 -0.00716 7 5PX 0.00076 0.02571 -0.02753 0.05217 0.02722 8 5PY -0.02655 -0.02778 -0.01154 0.00292 0.01265 9 5PZ -0.02865 -0.00712 -0.02596 0.03407 0.02782 10 6PX -0.00361 0.01076 -0.01094 0.04750 0.00031 11 6PY -0.02138 -0.01629 -0.00463 0.00177 -0.00226 12 6PZ -0.00160 -0.00469 -0.01321 0.03168 0.00632 13 7D 0 -0.27973 -0.10036 -0.25258 0.22817 0.09036 14 7D+1 0.40332 0.14252 -0.11157 0.11782 0.09935 15 7D-1 0.05337 -0.03953 -0.00072 -0.15841 -0.07585 16 7D+2 -0.02177 -0.31318 -0.00204 -0.11089 0.14096 17 7D-2 0.00079 0.00381 0.06121 -0.25929 -0.06160 18 8D 0 -0.09136 -0.03380 -0.08221 0.07535 0.02940 19 8D+1 0.13118 0.04508 -0.03661 0.03886 0.03217 20 8D-1 0.01745 -0.01214 0.00081 -0.05227 -0.02424 21 8D+2 -0.00706 -0.10379 -0.00185 -0.03668 0.04565 22 8D-2 0.00066 -0.00024 0.02037 -0.08552 -0.01980 23 2 Cu 1S 0.00086 0.00052 -0.00023 -0.00004 0.00088 24 2S 0.01525 -0.00913 0.00829 0.00254 0.00801 25 3S 0.05020 0.02274 -0.00956 0.00303 0.06416 26 4PX 0.00343 0.00003 -0.00030 0.00057 -0.00112 27 4PY -0.00019 -0.00337 -0.00741 0.00800 0.00107 28 4PZ -0.00647 0.00753 0.00336 -0.00859 0.00851 29 5PX -0.01206 0.00712 -0.00317 -0.00358 0.00972 30 5PY 0.00414 0.01184 0.03815 -0.04083 -0.00766 31 5PZ 0.02980 -0.03760 -0.01034 0.04346 -0.03199 32 6PX 0.00440 0.00650 -0.00294 -0.00449 0.01312 33 6PY 0.00632 0.00546 0.01695 -0.03792 0.00075 34 6PZ 0.01339 -0.01651 -0.00122 0.03951 0.00044 35 7D 0 -0.15079 0.05314 -0.04060 -0.17775 0.02438 36 7D+1 -0.10036 0.23369 0.02566 -0.24155 0.09696 37 7D-1 0.02517 0.15284 -0.17212 0.02442 0.38153 38 7D+2 0.20173 -0.02115 0.03302 -0.04906 0.00550 39 7D-2 -0.11576 -0.05870 -0.23540 0.24774 0.01497 40 8D 0 -0.04902 0.01774 -0.01263 -0.05855 0.00761 41 8D+1 -0.03346 0.07618 0.00839 -0.07976 0.03158 42 8D-1 0.00762 0.05144 -0.05803 0.00817 0.12303 43 8D+2 0.06570 -0.00719 0.01166 -0.01604 0.00190 44 8D-2 -0.03693 -0.01943 -0.07641 0.08179 0.00516 45 3 Cu 1S 0.00006 -0.00027 -0.00039 0.00000 -0.00103 46 2S 0.00118 0.00541 0.00787 -0.00031 -0.00980 47 3S 0.00313 -0.01620 -0.02411 -0.00042 -0.07587 48 4PX -0.00255 -0.00817 0.00657 0.01003 0.00196 49 4PY -0.00179 -0.00540 0.00166 0.00528 -0.00370 50 4PZ -0.00052 -0.00286 -0.00214 0.00121 -0.00623 51 5PX 0.00834 0.03400 -0.03405 -0.05083 -0.01068 52 5PY 0.00651 0.02951 0.00035 -0.02677 0.01987 53 5PZ 0.00233 0.01469 0.01291 -0.00609 0.02236 54 6PX -0.00187 0.01289 -0.01548 -0.04729 -0.00534 55 6PY -0.00064 0.01436 0.00380 -0.02498 0.01207 56 6PZ 0.00102 0.00572 0.00527 -0.00555 -0.00812 57 7D 0 -0.00773 -0.18748 -0.24011 0.05579 -0.34912 58 7D+1 0.03101 -0.09833 0.14289 0.28285 0.13370 59 7D-1 0.00797 -0.05624 0.01868 0.12363 -0.07703 60 7D+2 -0.00803 -0.13458 0.10098 0.16023 0.11773 61 7D-2 -0.02005 0.13207 -0.05279 -0.14790 0.19814 62 8D 0 -0.00266 -0.06193 -0.07938 0.01838 -0.11259 63 8D+1 0.00963 -0.03186 0.04779 0.09323 0.04284 64 8D-1 0.00241 -0.01921 0.00514 0.04072 -0.02429 65 8D+2 -0.00319 -0.04362 0.03331 0.05303 0.03793 66 8D-2 -0.00598 0.04366 -0.01634 -0.04888 0.06375 67 4 Cu 1S -0.00098 -0.00042 0.00040 0.00004 0.00080 68 2S -0.01708 0.01297 -0.00464 -0.00271 0.00703 69 3S -0.05816 -0.01449 0.01755 -0.00305 0.05789 70 4PX 0.00050 0.00458 0.00347 0.00531 -0.00088 71 4PY 0.00255 -0.00270 -0.00425 -0.00494 -0.00005 72 4PZ 0.00753 0.00004 0.00832 0.00932 0.00915 73 5PX 0.00260 -0.02245 -0.01749 -0.02758 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0.00001 -0.00320 -0.00656 0.00005 -0.00047 114 4PX 0.00032 -0.00591 0.00420 0.00054 0.00001 115 4PY 0.00015 -0.00496 -0.00015 0.00033 0.00015 116 4PZ 0.00019 0.00353 0.00769 0.00002 -0.00025 117 5PX -0.00274 0.02513 -0.02108 -0.00142 0.00015 118 5PY -0.00092 0.02389 0.00459 -0.00083 -0.00076 119 5PZ -0.00093 -0.01464 -0.03186 -0.00005 0.00061 120 6PX -0.00029 0.00558 -0.00467 0.00065 -0.00013 121 6PY -0.00001 0.00539 0.00108 0.00040 0.00102 122 6PZ -0.00022 -0.00362 -0.00777 0.00001 -0.00107 123 7D 0 -0.03837 0.02361 0.05861 0.00014 0.01017 124 7D+1 -0.16616 -0.04438 0.03357 0.00152 0.00061 125 7D-1 -0.06898 -0.03460 0.00085 0.00089 -0.01115 126 7D+2 -0.09014 0.02573 0.00421 -0.00209 -0.01026 127 7D-2 0.09230 0.00458 0.02551 0.00103 -0.01105 128 8D 0 -0.01115 0.00747 0.01835 0.00004 0.00227 129 8D+1 -0.04868 -0.01362 0.00994 0.00050 0.00016 130 8D-1 -0.02013 -0.01039 0.00063 0.00029 -0.00261 131 8D+2 -0.02679 0.00891 0.00122 -0.00069 -0.00248 132 8D-2 0.02736 0.00129 0.00877 0.00034 -0.00265 133 7 Cu 1S 0.00001 0.00012 0.00028 0.00000 -0.00001 134 2S -0.00010 -0.00128 -0.00278 -0.00002 0.00024 135 3S 0.00065 0.00785 0.01693 0.00006 0.00008 136 4PX -0.00211 0.00976 -0.01008 0.00101 0.00008 137 4PY -0.00083 0.01091 0.00404 0.00061 -0.00093 138 4PZ -0.00053 -0.00512 -0.01124 0.00003 0.00113 139 5PX 0.01090 -0.05222 0.05570 -0.00349 -0.00037 140 5PY 0.00425 -0.05996 -0.02378 -0.00213 0.00413 141 5PZ 0.00269 0.02692 0.05911 -0.00012 -0.00485 142 6PX 0.00522 -0.02324 0.02470 -0.00213 0.00000 143 6PY 0.00206 -0.02662 -0.01057 -0.00129 0.00015 144 6PZ 0.00136 0.01234 0.02693 -0.00009 -0.00021 145 7D 0 0.05066 0.19569 0.42195 -0.00100 0.23721 146 7D+1 0.16676 -0.28528 0.02520 -0.01436 0.01867 147 7D-1 0.08539 -0.09751 0.20125 -0.00917 -0.25255 148 7D+2 0.01731 0.40852 -0.06746 0.01754 -0.22440 149 7D-2 -0.03278 -0.08179 0.28826 -0.00826 -0.24701 150 8D 0 0.01618 0.06195 0.13357 -0.00032 0.07436 151 8D+1 0.05339 -0.09030 0.00762 -0.00456 0.00592 152 8D-1 0.02728 -0.03058 0.06413 -0.00291 -0.07934 153 8D+2 0.00582 0.12976 -0.02147 0.00561 -0.07056 154 8D-2 -0.01073 -0.02603 0.09152 -0.00264 -0.07765 155 8 C 1S -0.00011 -0.00141 -0.00298 -0.00001 0.00006 156 2S 0.00016 0.00299 0.00633 0.00001 -0.00008 157 3S 0.00093 0.00693 0.01473 0.00003 -0.00039 158 4PX -0.00262 0.00439 -0.00823 -0.00056 -0.00001 159 4PY -0.00111 0.00815 0.00655 -0.00032 -0.00027 160 4PZ -0.00081 -0.00360 -0.00773 -0.00002 0.00048 161 5PX 0.00038 0.00083 -0.00109 -0.00011 0.00008 162 5PY 0.00018 0.00107 0.00066 -0.00005 -0.00025 163 5PZ 0.00013 -0.00077 -0.00162 0.00000 0.00008 164 9 O 1S 0.00002 0.00024 0.00051 0.00000 -0.00003 165 2S 0.00003 -0.00066 -0.00142 0.00000 0.00006 166 3S -0.00030 -0.00107 -0.00224 0.00000 0.00013 167 4PX 0.00393 -0.00818 0.00777 0.00088 0.00002 168 4PY 0.00208 -0.00855 -0.00287 0.00052 0.00013 169 4PZ 0.00137 0.00594 0.01268 0.00003 -0.00029 170 5PX 0.00159 -0.00487 0.00378 0.00047 0.00001 171 5PY 0.00072 -0.00435 -0.00066 0.00028 0.00003 172 5PZ 0.00055 0.00345 0.00734 0.00002 -0.00004 71 72 73 74 75 O O O V V EIGENVALUES -- -0.25078 -0.20394 -0.20358 -0.09998 -0.07970 1 1 Cu 1S 0.00097 -0.00003 -0.00016 0.00097 0.00343 2 2S 0.00850 -0.20668 -0.22869 -0.02049 0.11188 3 3S 0.07103 -0.02516 -0.03430 -0.00018 0.06169 4 4PX -0.00606 -0.02261 0.02393 0.02131 -0.04732 5 4PY 0.00657 -0.00040 0.00291 -0.03144 0.00547 6 4PZ 0.00012 -0.01900 0.01189 -0.03026 -0.03538 7 5PX 0.02609 0.07189 -0.05536 -0.06305 0.15321 8 5PY -0.02493 0.01766 0.00987 0.11376 -0.04180 9 5PZ -0.00687 0.03543 -0.04996 0.09003 0.13918 10 6PX 0.00857 0.00996 -0.00255 -0.02380 0.03119 11 6PY 0.00606 0.02973 0.03078 0.03051 -0.03351 12 6PZ -0.01059 0.00105 -0.00951 0.02505 0.02835 13 7D 0 -0.10279 0.09677 -0.07386 0.06198 0.01412 14 7D+1 -0.17864 0.06924 -0.01458 -0.04294 0.03087 15 7D-1 0.02071 -0.02267 0.08386 -0.02270 -0.01090 16 7D+2 -0.36892 -0.00554 0.07412 0.07534 0.00416 17 7D-2 -0.11318 -0.10999 0.06601 0.01785 -0.01469 18 8D 0 -0.03327 0.03345 -0.02502 0.02042 0.00357 19 8D+1 -0.05760 0.02234 -0.00639 -0.01483 0.00829 20 8D-1 0.00629 -0.00507 0.03182 -0.00723 -0.00428 21 8D+2 -0.11936 -0.00208 0.02517 0.02418 0.00086 22 8D-2 -0.03620 -0.03947 0.02048 0.00586 -0.00338 23 2 Cu 1S -0.00056 -0.00031 0.00020 0.00017 -0.01016 24 2S -0.00553 -0.28058 0.12506 -0.03563 -0.26596 25 3S -0.04170 -0.04443 0.01669 -0.01306 -0.19907 26 4PX -0.00034 0.00328 -0.00456 0.02001 -0.03024 27 4PY -0.00973 -0.01143 -0.02417 -0.02880 -0.02945 28 4PZ 0.00434 0.01200 0.02685 -0.02711 0.01089 29 5PX -0.00267 0.02228 -0.00196 -0.05099 0.16251 30 5PY 0.03565 0.03629 0.06431 0.09583 0.12262 31 5PZ -0.01394 -0.02525 -0.07737 0.09681 -0.01471 32 6PX -0.00829 0.01694 -0.00946 -0.00630 0.08811 33 6PY 0.00204 0.03058 -0.00490 0.02019 0.03494 34 6PZ -0.00271 0.02596 -0.01769 0.00519 0.01915 35 7D 0 0.07800 0.05177 0.06947 -0.03988 0.00405 36 7D+1 -0.00030 0.01092 0.14079 -0.02477 0.00418 37 7D-1 -0.23184 -0.04069 0.00984 -0.06058 0.01925 38 7D+2 0.03466 -0.02469 0.03421 0.05983 0.01028 39 7D-2 -0.07026 -0.08683 -0.10072 -0.03630 -0.01402 40 8D 0 0.02498 0.01817 0.02350 -0.01324 0.00209 41 8D+1 -0.00024 0.00138 0.04908 -0.00811 -0.00083 42 8D-1 -0.07461 -0.01143 0.00222 -0.01852 0.00590 43 8D+2 0.01086 -0.01022 0.01228 0.02024 0.00088 44 8D-2 -0.02284 -0.03220 -0.03331 -0.01229 -0.00507 45 3 Cu 1S -0.00006 0.00006 0.00060 -0.00040 0.01011 46 2S -0.00067 0.03503 0.30584 -0.04997 0.27745 47 3S -0.00488 0.00586 0.05099 -0.01140 0.19782 48 4PX 0.00994 -0.03485 0.00216 0.01791 -0.00234 49 4PY 0.00493 -0.01789 0.00596 -0.02853 -0.02297 50 4PZ 0.00075 -0.00440 -0.00137 -0.02526 0.01805 51 5PX -0.03459 0.09440 -0.01589 -0.05420 -0.00218 52 5PY -0.01662 0.05186 0.00778 0.08189 0.11539 53 5PZ -0.00261 0.00938 -0.02007 0.10182 -0.11842 54 6PX -0.00319 0.00941 0.00378 0.00668 -0.02026 55 6PY -0.00071 0.00423 0.00107 -0.01396 0.06014 56 6PZ -0.00082 -0.00442 -0.04556 -0.00245 -0.06271 57 7D 0 -0.00225 -0.02193 0.06744 -0.08048 -0.02099 58 7D+1 0.10361 -0.14369 0.02526 0.03418 0.00294 59 7D-1 0.04264 -0.06707 -0.04044 -0.03969 -0.00401 60 7D+2 0.01915 -0.09447 -0.00779 -0.01864 0.01689 61 7D-2 -0.00932 0.08086 -0.02780 -0.01864 0.02485 62 8D 0 -0.00078 -0.00744 0.02323 -0.02573 -0.00511 63 8D+1 0.03308 -0.04868 0.01084 0.01103 0.00217 64 8D-1 0.01361 -0.02330 -0.01777 -0.01324 -0.00394 65 8D+2 0.00635 -0.03225 -0.00218 -0.00706 0.00404 66 8D-2 -0.00310 0.02780 -0.00793 -0.00748 0.00624 67 4 Cu 1S 0.00067 0.00028 0.00009 0.00028 -0.00745 68 2S 0.00638 0.30151 0.05860 -0.03303 -0.20325 69 3S 0.04951 0.04637 0.00524 -0.01481 -0.14328 70 4PX -0.00762 -0.00123 0.01804 0.01768 0.04266 71 4PY 0.00578 0.00722 -0.01454 -0.03066 -0.00736 72 4PZ -0.00416 -0.00537 0.03145 -0.02774 0.03030 73 5PX 0.02617 0.02799 -0.04453 -0.06731 -0.18824 74 5PY -0.02514 0.00549 0.04559 0.08953 -0.00682 75 5PZ 0.01249 0.01320 -0.08685 0.09531 -0.09851 76 6PX -0.00429 0.04049 0.00360 -0.01702 -0.08133 77 6PY -0.00954 0.00081 0.00619 0.02232 -0.01304 78 6PZ 0.00104 -0.02236 -0.01064 0.00868 0.00214 79 7D 0 -0.11772 -0.04364 0.02749 -0.02033 -0.00216 80 7D+1 -0.18792 -0.01886 -0.11845 0.06617 -0.02124 81 7D-1 0.15213 0.01849 -0.11360 0.00586 0.00460 82 7D+2 0.13627 0.05209 -0.11224 -0.06940 -0.02222 83 7D-2 -0.01201 0.05337 0.01389 0.03690 0.00468 84 8D 0 -0.03785 -0.01558 0.00928 -0.00696 0.00037 85 8D+1 -0.06058 -0.00491 -0.04013 0.02066 -0.00577 86 8D-1 0.04888 0.00316 -0.03944 0.00282 0.00265 87 8D+2 0.04404 0.01924 -0.03803 -0.02303 -0.00679 88 8D-2 -0.00346 0.02143 0.00517 0.01238 -0.00068 89 5 Cu 1S -0.00101 0.00001 -0.00016 0.00103 0.00088 90 2S -0.00849 0.15061 -0.26918 -0.01904 0.03417 91 3S -0.07365 0.01723 -0.03793 0.00505 0.01842 92 4PX 0.00327 -0.01953 -0.01356 0.01971 0.03797 93 4PY -0.00788 -0.02395 -0.01407 -0.03273 0.04526 94 4PZ -0.00129 0.01552 0.00357 -0.03067 -0.02508 95 5PX -0.01173 0.06527 0.01671 -0.07601 -0.12343 96 5PY 0.03233 0.06341 0.04262 0.10917 -0.15680 97 5PZ 0.01201 -0.02799 -0.03437 0.08842 0.09053 98 6PX 0.00765 0.02388 -0.02764 -0.01709 -0.02478 99 6PY 0.00230 -0.00325 0.02125 0.03197 -0.04179 100 6PZ 0.01326 0.00141 -0.01319 0.02631 0.02205 101 7D 0 0.06608 -0.08356 -0.05807 0.07818 0.01600 102 7D+1 -0.07830 0.06297 -0.03539 0.02460 -0.01515 103 7D-1 -0.10790 0.09909 0.06407 0.02639 -0.02559 104 7D+2 -0.04330 0.10721 0.02543 -0.01448 -0.01289 105 7D-2 0.43180 0.04561 0.07587 0.06856 -0.00365 106 8D 0 0.02141 -0.02883 -0.01965 0.02593 0.00460 107 8D+1 -0.02568 0.02293 -0.01472 0.00829 -0.00367 108 8D-1 -0.03450 0.03207 0.02527 0.00916 -0.00717 109 8D+2 -0.01429 0.03749 0.00725 -0.00455 -0.00355 110 8D-2 0.13957 0.01645 0.02449 0.02195 -0.00104 111 6 Cu 1S 0.00001 0.00000 -0.00037 -0.00446 0.00068 112 2S -0.00001 -0.00029 0.00524 -0.23548 0.01259 113 3S 0.00001 0.00047 0.00723 0.04049 -0.01482 114 4PX -0.00021 -0.04404 0.01451 -0.00936 0.00303 115 4PY -0.00008 -0.02717 -0.02456 0.01436 0.00569 116 4PZ -0.00009 -0.00066 0.04275 0.02196 -0.00438 117 5PX 0.00064 0.12126 -0.03978 0.04878 -0.01100 118 5PY 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-0.00108 24 2S 0.13284 -0.00351 -0.03918 0.05866 0.01666 25 3S 0.10930 0.06865 -0.09325 0.18661 -0.03160 26 4PX 0.01191 0.01596 -0.02924 0.04615 -0.00312 27 4PY -0.04112 -0.00781 -0.01538 -0.00643 -0.02335 28 4PZ 0.04143 -0.02910 -0.02140 0.00155 -0.01662 29 5PX -0.06464 -0.03265 0.11470 -0.14017 -0.00027 30 5PY 0.12905 0.01322 0.05717 0.02225 0.07128 31 5PZ -0.15681 0.09550 0.06949 -0.01818 0.08974 32 6PX -0.06154 -0.08485 0.05232 -0.08380 0.00490 33 6PY 0.05402 0.11510 0.01618 -0.00688 0.11952 34 6PZ -0.01916 0.09451 0.05125 0.01688 0.12662 35 7D 0 0.00657 -0.03796 0.03514 -0.00438 0.06055 36 7D+1 0.01472 -0.01350 -0.03909 -0.00582 -0.01887 37 7D-1 -0.01354 0.01036 -0.04643 0.01923 0.00284 38 7D+2 0.00355 0.02034 -0.01750 0.07251 0.03944 39 7D-2 -0.02422 -0.02709 -0.00651 0.01325 -0.00918 40 8D 0 0.00099 -0.01135 0.00945 -0.00270 0.01539 41 8D+1 0.00443 -0.00525 -0.01190 -0.00277 -0.00347 42 8D-1 -0.00395 0.00281 -0.01180 0.00448 -0.00085 43 8D+2 0.00234 0.00650 -0.00439 0.02266 0.01060 44 8D-2 -0.00661 -0.01010 -0.00244 0.00323 -0.00402 45 3 Cu 1S 0.00154 -0.00018 -0.00584 0.00813 -0.00262 46 2S 0.04550 0.00391 -0.08315 0.06605 0.01894 47 3S 0.02906 -0.00674 -0.10747 0.22862 -0.00986 48 4PX 0.05797 -0.01361 0.00028 0.02638 0.02165 49 4PY 0.02776 -0.00425 0.00729 -0.05263 -0.02638 50 4PZ 0.00929 -0.00112 -0.04536 0.01209 -0.06056 51 5PX -0.20813 0.02919 0.01083 -0.07732 -0.08686 52 5PY -0.09274 0.00869 -0.05025 0.15360 0.11047 53 5PZ -0.04195 0.00159 0.16706 -0.04706 0.25919 54 6PX -0.03212 0.06050 -0.02387 -0.07414 -0.11966 55 6PY -0.00895 0.01348 0.02067 0.14276 0.14651 56 6PZ -0.01426 -0.00283 0.11759 0.01301 0.36781 57 7D 0 0.00140 0.00291 -0.05392 -0.00549 -0.02019 58 7D+1 0.02951 0.01285 0.00155 0.01791 0.01053 59 7D-1 0.01451 0.01411 0.02173 -0.04390 0.00183 60 7D+2 0.00719 -0.03648 0.01017 -0.04760 -0.00653 61 7D-2 -0.00073 0.03049 0.01330 -0.05385 -0.00071 62 8D 0 0.00046 0.00092 -0.01602 -0.00459 -0.00816 63 8D+1 0.00800 0.00301 -0.00054 0.00559 0.00435 64 8D-1 0.00339 0.00363 0.00787 -0.01289 -0.00143 65 8D+2 0.00145 -0.01122 0.00194 -0.01493 -0.00225 66 8D-2 0.00004 0.00943 0.00202 -0.01712 -0.00097 67 4 Cu 1S -0.00883 -0.00338 -0.00471 0.00627 -0.00059 68 2S -0.21972 -0.02499 -0.03512 0.05180 0.01582 69 3S -0.17695 -0.10144 -0.08986 0.16917 -0.03584 70 4PX -0.00367 0.00182 0.03285 -0.02070 0.01496 71 4PY 0.03818 0.01817 0.01693 -0.03706 -0.00358 72 4PZ -0.03426 0.03236 -0.01196 -0.00260 -0.00531 73 5PX -0.02983 -0.00792 -0.12289 0.06208 -0.03319 74 5PY -0.15811 -0.04119 -0.06612 0.11562 0.01139 75 5PZ 0.12920 -0.10094 0.03479 -0.00484 0.04758 76 6PX -0.02556 0.04933 -0.04904 0.05483 -0.06555 77 6PY -0.09574 -0.12920 -0.03948 0.04282 0.02189 78 6PZ 0.01346 -0.10193 0.03515 0.01896 0.06522 79 7D 0 -0.00266 0.03020 0.05352 0.00142 0.06661 80 7D+1 -0.00127 -0.00442 0.04288 -0.00753 -0.01725 81 7D-1 0.01974 -0.03246 -0.00657 0.02688 0.01657 82 7D+2 0.01916 0.02969 -0.00855 -0.00459 -0.02014 83 7D-2 0.00150 -0.01088 -0.02456 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-0.02874 -0.02436 0.01738 104 7D+2 -0.00745 -0.02878 -0.00227 0.03651 0.03007 105 7D-2 0.02760 -0.00094 0.04195 -0.01575 -0.01740 106 8D 0 -0.00621 -0.01172 -0.00849 0.00310 -0.00286 107 8D+1 0.00156 0.00405 -0.01654 0.00768 -0.00782 108 8D-1 -0.00685 -0.00141 -0.00730 -0.00757 0.00292 109 8D+2 -0.00077 -0.00822 -0.00097 0.01035 0.00862 110 8D-2 0.00764 -0.00081 0.01003 -0.00481 -0.00489 111 6 Cu 1S 0.00028 0.00017 0.00523 -0.00056 -0.00287 112 2S 0.00580 0.00585 0.16150 -0.13800 -0.04984 113 3S -0.00586 -0.00324 -0.10757 -0.03776 -0.07933 114 4PX -0.01476 -0.04948 -0.00145 -0.03395 0.00252 115 4PY -0.00771 -0.02983 0.00839 0.05666 -0.00273 116 4PZ -0.00219 -0.00281 -0.03508 -0.01657 -0.03116 117 5PX 0.06347 0.22119 0.03206 0.11691 0.00711 118 5PY 0.03155 0.13109 -0.07732 -0.19736 -0.01702 119 5PZ 0.00692 0.01103 0.11307 0.10866 0.11365 120 6PX -0.04975 -0.11830 -0.04128 -0.01012 -0.01295 121 6PY -0.02199 -0.06827 0.07835 0.01788 0.03226 122 6PZ -0.00569 -0.00319 -0.00645 -0.02772 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0.15825 -0.03247 -0.03390 -0.01141 163 5PZ 0.01495 0.01402 0.17961 0.24136 -0.20425 164 9 O 1S 0.00007 -0.00011 -0.00287 0.00358 0.01028 165 2S -0.00026 0.00029 0.00740 -0.01224 -0.02651 166 3S -0.00048 0.00060 0.01632 -0.01290 -0.07148 167 4PX -0.10417 -0.33081 0.00180 -0.00203 0.01303 168 4PY -0.06117 -0.19951 0.03757 0.01728 -0.02793 169 4PZ -0.02005 -0.01771 -0.22670 -0.30262 0.14904 170 5PX -0.07530 -0.24444 0.00252 -0.00440 0.00568 171 5PY -0.04414 -0.14753 0.02592 0.01773 -0.01542 172 5PZ -0.01400 -0.01318 -0.16966 -0.22750 0.13886 81 82 83 84 85 V V V V V EIGENVALUES -- -0.01529 -0.00317 -0.00255 0.00984 0.01143 1 1 Cu 1S -0.00264 0.00211 -0.00155 -0.00291 -0.00249 2 2S 0.00097 -0.08916 0.06995 -0.06641 -0.02642 3 3S -0.04470 -0.27420 0.28665 0.28933 -0.07087 4 4PX 0.01360 0.03106 -0.00665 -0.01104 -0.06385 5 4PY -0.04287 0.02708 -0.01394 0.00952 -0.01054 6 4PZ -0.01018 -0.02601 0.03782 0.01752 -0.03291 7 5PX -0.02434 -0.08854 0.10517 0.07421 0.26164 8 5PY 0.18242 -0.13560 0.09592 -0.02187 0.05834 9 5PZ 0.05656 0.17021 -0.14684 -0.12342 0.11696 10 6PX -0.06476 -0.22968 0.19906 0.03278 0.47125 11 6PY 0.29646 -0.26646 0.16855 -0.23002 0.13148 12 6PZ 0.06499 0.35050 -0.31293 -0.04266 0.17831 13 7D 0 0.02308 -0.03628 -0.04196 0.00634 -0.00560 14 7D+1 0.00943 -0.00756 -0.02205 0.02219 -0.01924 15 7D-1 0.02365 0.01616 0.00289 -0.01654 -0.00152 16 7D+2 -0.00351 0.01768 0.01670 0.02104 -0.00982 17 7D-2 0.05299 0.02108 0.02576 0.01395 0.01028 18 8D 0 0.00541 -0.01072 -0.01344 0.00096 0.00105 19 8D+1 0.00058 -0.00503 -0.00573 0.00283 -0.00265 20 8D-1 0.00664 0.00708 0.00103 -0.00146 -0.00254 21 8D+2 0.00132 0.00524 0.00466 0.00238 -0.00331 22 8D-2 0.01458 0.00682 0.01037 0.00118 -0.00021 23 2 Cu 1S -0.00342 -0.00168 -0.00245 -0.00350 0.00670 24 2S 0.00570 0.02168 0.09431 -0.08320 0.06880 25 3S -0.01025 0.14967 0.39782 0.17227 0.25629 26 4PX 0.00013 -0.02197 -0.05395 -0.01503 0.02363 27 4PY -0.04580 -0.01234 0.00719 0.01160 -0.02308 28 4PZ -0.04516 0.01194 -0.00873 0.00677 0.04437 29 5PX 0.01754 0.12295 0.29104 0.11603 -0.14800 30 5PY 0.21180 0.00112 0.00619 -0.04900 0.07792 31 5PZ 0.18572 0.03250 0.02562 -0.03369 -0.19855 32 6PX 0.05277 0.22961 0.57879 -0.07011 -0.39926 33 6PY 0.28127 0.01723 0.02909 -0.17489 0.09623 34 6PZ 0.25924 0.03496 0.08408 -0.13906 -0.40199 35 7D 0 -0.03114 0.01568 -0.00875 0.00309 0.01828 36 7D+1 0.00260 0.06020 -0.00998 0.00398 -0.02085 37 7D-1 -0.02224 -0.00874 0.00486 -0.03479 -0.04839 38 7D+2 -0.00736 0.00273 0.01211 0.00560 -0.03426 39 7D-2 0.00274 -0.03148 0.02846 0.01206 0.00252 40 8D 0 -0.00932 0.00642 -0.00300 0.00043 0.00522 41 8D+1 -0.00086 0.01921 -0.00231 -0.00034 -0.00384 42 8D-1 -0.00720 -0.00179 0.00071 -0.00397 -0.00952 43 8D+2 0.00024 0.00187 0.00276 0.00031 -0.00777 44 8D-2 0.00043 -0.01086 0.01026 0.00154 -0.00222 45 3 Cu 1S 0.00037 -0.00379 0.00024 -0.00297 -0.00872 46 2S -0.00078 0.08080 -0.01003 -0.08177 -0.09595 47 3S 0.00003 0.38481 -0.04239 0.14199 -0.33002 48 4PX 0.00203 -0.01701 0.02095 -0.00773 -0.00602 49 4PY 0.00490 0.04381 0.00541 0.01445 0.02396 50 4PZ 0.00678 -0.03153 0.00485 0.00603 -0.03021 51 5PX 0.03444 0.09918 -0.00733 0.04915 0.04204 52 5PY 0.00298 -0.23047 0.02559 -0.09659 -0.14363 53 5PZ -0.02586 0.19648 -0.01487 -0.01446 0.18107 54 6PX 0.01341 0.18676 -0.02438 0.00266 0.10451 55 6PY -0.00751 -0.44217 0.04211 0.04413 -0.34397 56 6PZ -0.03857 0.39230 -0.03592 -0.24069 0.45569 57 7D 0 0.01420 0.01551 0.00607 -0.01803 0.04275 58 7D+1 0.05799 0.01472 0.03593 0.01563 -0.00336 59 7D-1 0.03728 -0.02255 0.01329 -0.01570 -0.02578 60 7D+2 -0.03733 0.00625 0.04936 0.01446 -0.03774 61 7D-2 0.01560 0.00472 -0.03794 0.02626 -0.05084 62 8D 0 0.00420 0.00541 0.00229 -0.00268 0.00961 63 8D+1 0.01637 0.00458 0.01334 0.00143 0.00028 64 8D-1 0.01024 -0.00675 0.00545 -0.00081 -0.00720 65 8D+2 -0.00717 0.00194 0.01430 0.00202 -0.00791 66 8D-2 0.00231 0.00145 -0.01162 0.00345 -0.01044 67 4 Cu 1S 0.00372 -0.00105 0.00255 -0.00339 0.00709 68 2S -0.00541 0.00458 -0.10058 -0.08025 0.07353 69 3S 0.01599 0.08252 -0.41821 0.19390 0.27481 70 4PX -0.04930 0.01344 -0.02870 -0.00348 -0.00549 71 4PY 0.02334 0.00121 -0.05029 0.01908 -0.03591 72 4PZ 0.04134 0.01735 -0.00382 0.00770 0.03802 73 5PX 0.22704 -0.03520 0.17882 -0.01460 0.06907 74 5PY -0.08993 -0.06076 0.25016 -0.12448 0.18247 75 5PZ -0.17148 0.01087 0.02765 -0.04750 -0.16204 76 6PX 0.32920 -0.06696 0.37521 0.21422 0.24425 77 6PY -0.10193 -0.09517 0.49557 -0.04414 0.42168 78 6PZ -0.23507 -0.00965 0.03065 -0.10813 -0.31095 79 7D 0 0.01340 -0.00194 0.00693 0.00804 0.03279 80 7D+1 -0.02287 -0.03638 -0.00311 0.02715 0.04405 81 7D-1 0.01078 -0.05450 -0.00542 -0.02239 -0.02290 82 7D+2 0.00351 -0.03336 -0.01469 0.00179 0.00401 83 7D-2 -0.00245 0.00065 -0.01705 0.01115 -0.03450 84 8D 0 0.00405 0.00048 0.00204 0.00123 0.00778 85 8D+1 -0.00796 -0.01308 -0.00139 0.00356 0.00763 86 8D-1 0.00208 -0.01666 -0.00022 -0.00200 -0.00496 87 8D+2 0.00279 -0.01171 -0.00610 0.00050 -0.00118 88 8D-2 -0.00200 0.00091 -0.00533 0.00090 -0.00866 89 5 Cu 1S 0.00200 0.00246 0.00117 -0.00303 -0.00310 90 2S -0.00042 -0.10031 -0.05446 -0.06645 -0.03306 91 3S 0.03868 -0.31581 -0.22213 0.29285 -0.09637 92 4PX -0.02135 -0.03605 -0.00292 -0.00498 0.05038 93 4PY 0.02692 -0.00544 0.00882 0.01230 0.04767 94 4PZ 0.00568 -0.04012 -0.03247 0.01919 -0.01674 95 5PX 0.11359 0.15007 0.08641 -0.00155 -0.21918 96 5PY -0.08265 -0.02046 0.01525 -0.06010 -0.18425 97 5PZ -0.03530 0.22178 0.13025 -0.13678 0.04617 98 6PX 0.16904 0.31106 0.13859 0.16756 -0.41727 99 6PY -0.16254 0.00707 0.02671 -0.14293 -0.30844 100 6PZ -0.03824 0.46751 0.27774 -0.03694 0.04060 101 7D 0 -0.01608 -0.02715 0.03644 0.00266 0.00296 102 7D+1 0.02447 0.00282 -0.02766 0.00449 0.01774 103 7D-1 -0.00267 0.01852 -0.03422 -0.02295 0.01456 104 7D+2 -0.06335 0.01065 -0.01739 0.00254 0.01329 105 7D-2 -0.01528 0.01616 -0.02232 0.02831 -0.01326 106 8D 0 -0.00362 -0.00721 0.01190 0.00032 0.00253 107 8D+1 0.00539 0.00043 -0.00839 0.00004 0.00370 108 8D-1 -0.00301 0.00892 -0.01009 -0.00253 0.00017 109 8D+2 -0.01667 0.00365 -0.00791 0.00011 0.00081 110 8D-2 -0.00572 0.00419 -0.00753 0.00303 -0.00432 111 6 Cu 1S 0.00000 0.00296 0.00003 0.00264 0.00020 112 2S -0.00004 0.05225 0.00059 0.05958 0.00319 113 3S 0.00007 0.16868 -0.00021 -0.31624 -0.00234 114 4PX -0.01400 0.00795 0.04318 0.00333 0.00006 115 4PY -0.00844 -0.01595 0.02606 -0.00531 -0.00009 116 4PZ -0.00037 0.04763 0.00143 -0.00494 -0.00039 117 5PX 0.05249 0.00791 -0.04746 -0.02258 0.00035 118 5PY 0.03159 -0.00802 -0.02945 0.03694 -0.00346 119 5PZ 0.00117 -0.08572 -0.00194 0.00290 0.00432 120 6PX -0.16059 0.00607 0.24366 0.37091 0.00979 121 6PY -0.09722 -0.02584 0.14715 -0.58381 -0.01633 122 6PZ -0.00420 0.25427 0.00781 -0.60097 -0.01439 123 7D 0 -0.00061 0.07845 0.00283 -0.01122 -0.01944 124 7D+1 -0.01079 -0.02322 0.04834 -0.03506 -0.00454 125 7D-1 -0.00788 0.03347 0.03245 0.05503 0.01836 126 7D+2 0.03459 0.02295 -0.08465 -0.02509 0.01290 127 7D-2 -0.01728 0.04086 0.04261 -0.05157 0.01645 128 8D 0 0.00000 0.02229 0.00079 -0.00258 -0.00800 129 8D+1 0.00104 -0.00739 0.01338 -0.00668 -0.00159 130 8D-1 0.00054 0.01079 0.00895 0.01033 0.00711 131 8D+2 0.00124 0.00575 -0.02228 -0.00512 0.00520 132 8D-2 -0.00059 0.01006 0.01117 -0.01036 0.00680 133 7 Cu 1S -0.00001 0.00203 0.00003 0.00808 0.00025 134 2S -0.00016 0.00252 0.00006 0.12229 0.00287 135 3S 0.00004 -0.04644 0.00105 0.98664 0.02860 136 4PX 0.06379 0.01600 0.01992 0.01879 0.00053 137 4PY 0.03885 -0.02726 0.01179 -0.02981 -0.00075 138 4PZ 0.00171 0.01662 0.00062 -0.02312 -0.00106 139 5PX -0.18044 -0.03170 0.02710 -0.08814 -0.00306 140 5PY -0.11000 0.04958 0.01703 0.14022 0.00511 141 5PZ -0.00493 0.04459 0.00116 0.09267 0.00230 142 6PX 0.02697 -0.07763 -0.01576 -0.39254 -0.01394 143 6PY 0.01565 0.12477 -0.00702 0.62322 0.02126 144 6PZ 0.00139 0.04195 -0.00058 0.49173 0.01879 145 7D 0 -0.00018 -0.06592 -0.00249 0.00382 -0.02116 146 7D+1 -0.00566 0.01547 -0.04084 0.02461 -0.00306 147 7D-1 -0.00353 -0.02145 -0.02678 -0.04004 0.01842 148 7D+2 0.00403 -0.01731 0.05889 0.01502 0.01693 149 7D-2 -0.00194 -0.03099 -0.02939 0.03231 0.02296 150 8D 0 -0.00005 -0.02255 -0.00084 0.00146 -0.00924 151 8D+1 -0.00153 0.00522 -0.01382 0.00663 -0.00144 152 8D-1 -0.00092 -0.00724 -0.00907 -0.01094 0.00813 153 8D+2 0.00090 -0.00613 0.02027 0.00397 0.00713 154 8D-2 -0.00041 -0.01101 -0.01016 0.00870 0.00963 155 8 C 1S -0.00001 0.00456 0.00004 0.03275 0.00107 156 2S 0.00006 -0.00410 -0.00005 -0.10009 -0.00258 157 3S 0.00002 -0.05846 -0.00068 -0.22568 -0.01149 158 4PX -0.26622 0.00772 0.18682 0.05206 0.00118 159 4PY -0.16164 -0.02334 0.11319 -0.08619 -0.00282 160 4PZ -0.00707 0.16919 0.00616 -0.00071 0.00006 161 5PX -0.16438 -0.00113 0.12132 -0.00879 -0.00068 162 5PY -0.09982 -0.00535 0.07338 0.01213 0.00272 163 5PZ -0.00435 0.11624 0.00392 0.04232 -0.00369 164 9 O 1S -0.00002 -0.00456 0.00000 0.01489 0.00046 165 2S 0.00006 0.01122 0.00001 -0.04353 -0.00181 166 3S 0.00011 0.03693 0.00004 -0.06490 0.00017 167 4PX 0.13471 -0.01147 -0.11103 -0.02440 0.00007 168 4PY 0.08182 0.02529 -0.06723 0.04054 0.00241 169 4PZ 0.00354 -0.10343 -0.00369 -0.00150 -0.00297 170 5PX 0.11895 -0.00609 -0.08837 -0.02869 -0.00132 171 5PY 0.07221 0.01521 -0.05348 0.04769 0.00244 172 5PZ 0.00311 -0.08311 -0.00288 -0.00402 0.00065 86 87 88 89 90 V V V V V EIGENVALUES -- 0.01149 0.02329 0.03422 0.04218 0.04231 1 1 Cu 1S -0.00838 -0.00045 0.00090 0.00022 -0.00026 2 2S -0.09058 0.00271 -0.06140 0.07030 -0.17022 3 3S -0.31974 0.19202 -0.56172 0.90327 -2.24877 4 4PX 0.00338 -0.01221 -0.00460 -0.01408 -0.00846 5 4PY -0.02621 0.01736 -0.02648 -0.00010 -0.00417 6 4PZ 0.03393 0.01400 0.00936 -0.01165 -0.00110 7 5PX 0.01382 0.02552 -0.01047 0.03801 -0.02873 8 5PY 0.15914 -0.00234 0.04782 0.04062 -0.07954 9 5PZ -0.17802 -0.04735 0.01472 -0.00795 0.07625 10 6PX 0.09322 0.08140 -0.38080 -0.23703 -0.51448 11 6PY 0.40486 -0.11664 -0.45935 0.34924 -0.86163 12 6PZ -0.40050 -0.02077 0.56431 -0.48855 0.49735 13 7D 0 0.00374 -0.02713 -0.00246 0.02023 0.01081 14 7D+1 -0.05877 0.02615 0.02890 0.01784 -0.01080 15 7D-1 -0.02213 0.00289 0.03730 -0.02199 0.00741 16 7D+2 -0.04740 -0.03543 0.02439 -0.00802 -0.01286 17 7D-2 0.00477 -0.00132 -0.02192 -0.02323 -0.02137 18 8D 0 0.00000 -0.00932 0.00002 0.00605 0.00320 19 8D+1 -0.01260 0.00790 0.01090 0.00629 -0.00556 20 8D-1 -0.00590 -0.00126 0.01248 -0.00860 0.00789 21 8D+2 -0.00996 -0.01282 0.01077 -0.00203 -0.00505 22 8D-2 0.00296 -0.00017 -0.00679 -0.00484 -0.01023 23 2 Cu 1S 0.00533 -0.00174 0.00101 -0.00034 0.00016 24 2S 0.06015 -0.03971 -0.05584 -0.15284 0.09576 25 3S 0.22802 -0.17849 -0.49477 -2.00541 1.27360 26 4PX 0.02538 -0.00906 -0.01921 -0.00613 0.00156 27 4PY 0.04625 0.01292 -0.01411 -0.00685 -0.01123 28 4PZ -0.03413 0.00614 -0.01434 0.00649 0.01368 29 5PX -0.14250 0.01465 0.00517 -0.08306 0.06126 30 5PY -0.19659 0.00680 0.03631 -0.01864 0.03784 31 5PZ 0.12084 0.00947 0.03669 -0.04838 -0.00068 32 6PX -0.34589 -0.21966 -0.75159 -0.85783 0.50477 33 6PY -0.38368 0.05947 -0.13089 -0.55489 -0.04316 34 6PZ 0.17190 0.10456 -0.23218 -0.21835 0.57306 35 7D 0 0.02190 0.02764 0.01936 0.00849 0.01884 36 7D+1 -0.00592 0.02029 -0.02798 0.00600 0.02927 37 7D-1 -0.03863 0.00994 -0.01659 0.01885 -0.01340 38 7D+2 -0.02446 -0.03151 -0.03694 0.00275 0.00474 39 7D-2 -0.00892 0.03803 -0.02117 -0.02565 -0.01584 40 8D 0 0.00339 0.00709 0.00701 0.00286 0.00484 41 8D+1 -0.00414 0.00654 -0.00951 -0.00125 0.01046 42 8D-1 -0.00762 0.00512 -0.00857 0.00948 -0.00643 43 8D+2 -0.00623 -0.00991 -0.01245 -0.00179 0.00304 44 8D-2 -0.00030 0.01188 -0.00707 -0.01046 -0.00279 45 3 Cu 1S -0.00036 -0.00224 0.00106 0.00042 0.00003 46 2S -0.00412 -0.06352 -0.04981 0.18250 0.01153 47 3S -0.00980 -0.40856 -0.41486 2.39856 0.15321 48 4PX -0.06541 -0.00579 -0.00096 0.00113 0.01791 49 4PY -0.03336 0.00958 0.00786 -0.00557 0.00921 50 4PZ -0.00884 0.00379 -0.02621 0.00405 0.00252 51 5PX 0.26499 -0.01389 -0.01258 0.02098 -0.03163 52 5PY 0.13265 0.01918 0.01265 -0.05661 -0.02206 53 5PZ 0.03827 0.02647 0.05144 0.09665 0.00195 54 6PX 0.46698 -0.17377 -0.18735 0.10778 0.46996 55 6PY 0.23147 0.33668 0.47965 -0.52623 0.21214 56 6PZ 0.07042 -0.00797 -0.57139 1.08991 0.12624 57 7D 0 0.00348 0.04256 -0.02856 0.00019 0.00691 58 7D+1 0.01001 -0.00689 -0.01300 0.00757 0.03333 59 7D-1 0.00297 0.00766 0.04111 -0.01421 0.01362 60 7D+2 0.00595 0.02779 0.01658 0.01060 0.01929 61 7D-2 -0.00780 0.04055 0.01618 0.02117 -0.01597 62 8D 0 0.00018 0.01424 -0.01128 -0.00024 0.00192 63 8D+1 -0.00090 -0.00306 -0.00326 0.00588 0.00968 64 8D-1 -0.00071 0.00295 0.01296 -0.01026 0.00339 65 8D+2 -0.00074 0.00740 0.00676 0.00389 0.00570 66 8D-2 0.00015 0.01050 0.00743 0.00869 -0.00452 67 4 Cu 1S -0.00490 -0.00151 0.00100 -0.00032 -0.00017 68 2S -0.05660 -0.03188 -0.05744 -0.14025 -0.11343 69 3S -0.20659 -0.10665 -0.51413 -1.83787 -1.50629 70 4PX 0.04508 -0.00801 0.02478 0.00852 -0.00481 71 4PY -0.01111 0.01501 0.00907 -0.00071 0.00880 72 4PZ 0.04572 0.00708 -0.00922 0.00967 -0.01314 73 5PX -0.21219 -0.01325 -0.03852 0.06099 0.07155 74 5PY 0.01809 -0.01639 0.01330 0.05867 0.03681 75 5PZ -0.17665 0.00131 0.03131 -0.03092 0.01280 76 6PX -0.44926 0.05630 0.55598 0.90647 0.44784 77 6PY -0.01766 0.16011 0.57734 0.35470 0.55093 78 6PZ -0.29208 0.12170 -0.07096 0.06118 -0.45771 79 7D 0 -0.02536 0.01813 0.02817 0.00374 -0.01007 80 7D+1 -0.02061 -0.02030 0.01603 -0.02689 0.00937 81 7D-1 0.02321 -0.02030 0.00206 0.00150 0.03255 82 7D+2 0.00742 0.04788 -0.00926 -0.02200 0.01598 83 7D-2 0.02277 -0.00974 -0.04598 -0.00491 -0.00643 84 8D 0 -0.00497 0.00373 0.01046 0.00145 -0.00220 85 8D+1 -0.00628 -0.00745 0.00766 -0.01001 0.00085 86 8D-1 0.00243 -0.00531 -0.00090 0.00422 0.01253 87 8D+2 -0.00043 0.01563 -0.00382 -0.00747 0.00386 88 8D-2 0.00571 -0.00302 -0.01542 -0.00523 -0.00488 89 5 Cu 1S 0.00812 -0.00038 0.00089 0.00016 0.00028 90 2S 0.08687 0.00605 -0.06128 0.04821 0.17841 91 3S 0.31947 0.22858 -0.56106 0.61315 2.34832 92 4PX -0.00996 -0.01091 0.02251 0.01083 -0.00679 93 4PY 0.02491 0.01867 -0.01217 0.01318 -0.00296 94 4PZ -0.03615 0.01505 0.01251 -0.00845 -0.00189 95 5PX 0.08963 -0.00523 -0.03555 -0.04355 -0.07443 96 5PY -0.11205 -0.01976 0.03423 -0.01152 0.02825 97 5PZ 0.19342 -0.05650 0.01167 -0.00875 -0.08930 98 6PX 0.28134 0.07498 0.47032 0.04663 -0.89261 99 6PY -0.22023 -0.15480 0.00019 0.41088 0.16585 100 6PZ 0.45316 -0.06237 0.67245 -0.38337 -0.72681 101 7D 0 -0.02465 -0.03451 -0.01775 0.01753 -0.00922 102 7D+1 -0.04423 -0.00683 -0.04688 -0.00384 0.00795 103 7D-1 -0.02250 -0.01960 0.00407 -0.02942 -0.01255 104 7D+2 -0.01451 0.01113 -0.02035 -0.02345 0.01061 105 7D-2 0.05229 -0.02898 0.01938 -0.01320 0.01947 106 8D 0 -0.00465 -0.01127 -0.00538 0.00529 -0.00247 107 8D+1 -0.01106 0.00010 -0.01641 -0.00014 0.00667 108 8D-1 -0.00447 -0.00758 0.00083 -0.01004 -0.00890 109 8D+2 -0.00471 0.00419 -0.00727 -0.00588 0.00530 110 8D-2 0.01013 -0.01045 0.00935 -0.00302 0.00900 111 6 Cu 1S 0.00006 0.00428 -0.00008 -0.00006 0.00000 112 2S 0.00131 0.21156 0.08715 0.00098 0.00024 113 3S 0.00021 1.95374 2.11826 0.00599 0.00127 114 4PX 0.00048 0.00714 0.01145 0.00031 0.00037 115 4PY 0.00022 -0.01178 -0.01811 -0.00077 0.00000 116 4PZ 0.00004 -0.00118 -0.01776 -0.00014 0.00000 117 5PX -0.00210 -0.06631 -0.10239 -0.00073 0.00019 118 5PY -0.00050 0.10965 0.16119 0.00188 -0.00016 119 5PZ -0.00030 -0.01346 0.15632 0.00100 0.00075 120 6PX 0.00027 -0.61617 0.08771 0.01320 -0.07310 121 6PY -0.00386 1.00580 -0.14451 0.02229 -0.03786 122 6PZ -0.00643 0.19423 0.08797 -0.06170 -0.02061 123 7D 0 0.00428 -0.03405 0.00445 -0.02348 -0.00821 124 7D+1 0.02442 -0.01124 0.02701 -0.00068 -0.03247 125 7D-1 0.01235 0.01853 -0.04304 0.02100 -0.01287 126 7D+2 0.01331 -0.02401 0.01772 0.01679 -0.01655 127 7D-2 -0.01239 -0.04711 0.03673 0.01883 0.01758 128 8D 0 0.00175 -0.00831 0.00060 -0.00909 -0.00306 129 8D+1 0.01003 -0.01000 0.00736 -0.00044 -0.01246 130 8D-1 0.00487 0.01588 -0.01175 0.00864 -0.00484 131 8D+2 0.00579 -0.00962 0.00461 0.00706 -0.00673 132 8D-2 -0.00516 -0.01950 0.00951 0.00782 0.00704 133 7 Cu 1S 0.00010 0.00491 -0.00443 -0.00002 -0.00001 134 2S 0.00090 -0.13850 0.08420 -0.00810 -0.00202 135 3S 0.00723 -1.25750 2.05545 -0.08685 -0.02421 136 4PX 0.00066 0.01119 -0.02211 -0.00056 -0.00029 137 4PY -0.00028 -0.01813 0.03504 0.00112 0.00016 138 4PZ -0.00017 -0.00700 0.02962 -0.00033 -0.00011 139 5PX 0.00026 -0.11943 0.16065 0.00010 -0.00319 140 5PY 0.00312 0.19174 -0.25481 0.00159 -0.00118 141 5PZ 0.00151 0.09254 -0.20501 0.00044 0.00023 142 6PX -0.00856 -0.43745 0.26590 -0.00013 0.01790 143 6PY 0.00688 0.69421 -0.42422 -0.00538 0.00586 144 6PZ 0.00568 0.60558 -0.38958 0.02747 0.01201 145 7D 0 0.00434 0.01134 -0.00351 -0.02760 -0.00897 146 7D+1 0.02700 0.02269 0.00831 -0.00170 -0.03737 147 7D-1 0.01161 -0.03658 -0.01299 0.02779 -0.01418 148 7D+2 0.01890 0.01699 0.00376 0.02430 -0.02258 149 7D-2 -0.01481 0.03509 0.00795 0.02704 0.02328 150 8D 0 0.00194 0.00408 -0.00151 -0.01081 -0.00368 151 8D+1 0.01176 0.00619 0.00291 -0.00075 -0.01541 152 8D-1 0.00518 -0.01007 -0.00454 0.01109 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-0.01611 59 7D-1 0.01656 0.01484 -0.02086 0.03292 -0.01214 60 7D+2 0.01193 -0.03099 -0.00093 -0.00894 -0.00382 61 7D-2 0.01379 0.01794 0.00571 -0.01988 0.00730 62 8D 0 0.00676 0.00071 -0.00646 0.00317 -0.00060 63 8D+1 -0.00312 0.00138 0.00426 -0.00155 -0.00110 64 8D-1 0.00363 0.00154 -0.00455 0.00104 -0.00099 65 8D+2 0.00126 -0.00390 0.00101 -0.00038 0.00196 66 8D-2 0.00103 0.00238 0.00285 -0.00117 -0.00107 67 4 Cu 1S -0.00006 0.00003 -0.00159 -0.00005 0.00205 68 2S 0.01863 0.00236 -0.03952 0.01630 -0.06724 69 3S 0.34851 0.08798 -0.75644 0.28102 -1.60579 70 4PX -0.01158 -0.00611 -0.01115 -0.01148 0.03790 71 4PY 0.01925 0.01463 0.00240 0.00187 0.02132 72 4PZ 0.01533 0.01036 0.00817 -0.00109 -0.01433 73 5PX 0.03761 0.02632 0.09489 0.07815 -0.15024 74 5PY -0.12575 -0.09771 0.02454 -0.02853 -0.05899 75 5PZ -0.08009 -0.04708 -0.05929 0.06887 0.08783 76 6PX 0.58329 0.51404 0.63801 -0.35632 0.26092 77 6PY -1.18492 -0.86898 -0.50338 0.33721 -0.17774 78 6PZ -1.02272 -0.71267 -0.49133 -0.51626 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3S -0.00588 -0.00139 0.05569 0.01433 -0.00044 158 4PX 0.00326 -0.00029 -0.02981 -0.01246 -0.16879 159 4PY -0.00529 -0.00203 0.05020 0.02839 -0.10268 160 4PZ 0.00076 -0.00049 -0.03454 -0.18177 -0.00446 161 5PX -0.00603 0.00267 0.06889 0.00490 -0.16194 162 5PY 0.00892 0.00480 -0.10901 0.00100 -0.09827 163 5PZ 0.01043 0.00267 -0.09332 -0.20210 -0.00411 164 9 O 1S 0.00228 0.00068 -0.02712 0.00967 0.00003 165 2S -0.00646 -0.00195 0.08289 -0.02728 -0.00009 166 3S -0.01175 -0.00356 0.10922 -0.05595 -0.00016 167 4PX -0.00235 0.02152 0.01200 0.00310 0.01046 168 4PY -0.00397 0.01245 -0.01810 -0.00582 0.00642 169 4PZ 0.02149 0.00626 -0.01785 0.01231 0.00033 170 5PX -0.00320 0.00507 0.02874 0.00231 0.05451 171 5PY 0.00348 0.00448 -0.04753 -0.00669 0.03329 172 5PZ 0.00454 0.00172 0.01077 0.06162 0.00140 96 97 98 99 100 V V V V V EIGENVALUES -- 0.06512 0.06527 0.07256 0.07304 0.07977 1 1 Cu 1S -0.00082 0.00102 0.00095 -0.00110 0.00125 2 2S 0.01055 0.00149 -0.01994 0.02256 0.03766 3 3S 0.34454 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0.00420 -0.00095 0.00737 64 8D-1 0.00418 -0.00109 0.00167 0.00274 0.00295 65 8D+2 -0.00816 -0.00368 0.00191 0.00030 0.00424 66 8D-2 0.00534 -0.00328 -0.00189 -0.00067 -0.00432 67 4 Cu 1S 0.00118 0.00040 -0.00169 0.00035 -0.00186 68 2S -0.01954 0.00992 0.02666 -0.00505 -0.05424 69 3S -0.55880 0.05405 1.07034 -0.18009 -1.31116 70 4PX -0.00875 0.00198 -0.04838 0.02360 -0.02517 71 4PY 0.05301 -0.00370 -0.03920 -0.00305 -0.01904 72 4PZ 0.02893 -0.00796 0.01571 0.01939 0.00316 73 5PX 0.10521 -0.01231 0.21945 -0.14633 0.12922 74 5PY -0.31425 0.03645 0.18158 0.04182 0.09918 75 5PZ -0.19606 0.07898 -0.08717 -0.14847 -0.01722 76 6PX -0.93480 0.28946 -0.65212 -1.20319 -1.64053 77 6PY 1.73633 -0.43194 0.72632 0.95312 -1.43144 78 6PZ 1.38316 -0.42439 -0.00101 -2.11676 1.35905 79 7D 0 0.01389 0.03103 0.00769 0.00093 -0.01551 80 7D+1 -0.02223 0.00396 0.00772 -0.00859 -0.02633 81 7D-1 -0.01782 0.02561 -0.01310 -0.00135 0.00177 82 7D+2 0.04462 -0.00704 0.00444 -0.00529 -0.00637 83 7D-2 -0.00404 0.01809 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-0.11319 8 5PY 0.09417 0.09414 -0.12662 0.32451 0.12288 9 5PZ -0.08277 -0.26683 -0.21859 0.11139 0.06039 10 6PX -2.37477 0.04138 1.07881 0.07788 -1.33908 11 6PY -1.63331 -0.90508 0.62929 0.41655 1.95983 12 6PZ -0.34283 1.08481 0.02680 0.31902 1.88656 13 7D 0 0.02420 -0.00800 -0.01646 0.00760 0.00710 14 7D+1 0.03094 -0.03989 0.01748 -0.03064 -0.00246 15 7D-1 -0.00531 0.00132 0.00892 0.03029 0.01021 16 7D+2 0.00408 -0.02285 0.02194 0.01477 -0.00398 17 7D-2 -0.03191 0.00943 0.01887 -0.02548 0.00915 18 8D 0 0.00353 -0.00218 -0.00480 0.00089 0.00554 19 8D+1 0.00511 -0.01204 0.00505 -0.00442 -0.00142 20 8D-1 -0.00082 0.00212 0.00239 0.00328 0.00151 21 8D+2 0.00061 -0.00671 0.00647 0.00318 0.00191 22 8D-2 -0.00481 0.00171 0.00598 -0.00380 0.00213 23 2 Cu 1S -0.00088 0.00148 -0.00388 0.00440 0.00187 24 2S -0.02342 0.02987 -0.07572 0.05409 0.01138 25 3S -0.54997 0.53474 -1.28249 0.44243 0.03077 26 4PX 0.01225 0.01775 -0.02642 -0.01389 0.00300 27 4PY 0.00559 0.05777 0.01502 -0.01578 -0.02075 28 4PZ 0.00248 -0.05404 -0.03330 -0.01901 -0.02186 29 5PX -0.06550 -0.09869 0.13443 0.09267 -0.05921 30 5PY -0.04254 -0.38795 -0.12053 0.14936 0.13704 31 5PZ 0.00278 0.36975 0.20326 0.15621 0.15643 32 6PX 1.01978 0.51198 -1.26339 0.47158 -2.03089 33 6PY 2.48886 0.87888 -0.06227 -0.86330 2.86075 34 6PZ -1.91680 -0.53245 -0.66261 -0.55333 2.43165 35 7D 0 -0.03194 -0.00464 -0.01787 -0.01927 -0.00970 36 7D+1 -0.03505 -0.01927 0.00280 -0.01967 -0.00156 37 7D-1 0.01151 -0.01668 0.03953 0.02153 0.00308 38 7D+2 0.00229 -0.01138 0.02030 -0.00454 -0.00082 39 7D-2 0.04079 0.01859 0.00641 -0.03541 -0.00442 40 8D 0 -0.00496 -0.00183 -0.00510 -0.00382 -0.00409 41 8D+1 -0.00527 -0.00555 -0.00088 -0.00174 -0.00227 42 8D-1 0.00176 -0.00520 0.01238 0.00568 -0.00267 43 8D+2 0.00067 -0.00265 0.00501 -0.00205 0.00310 44 8D-2 0.00632 0.00564 0.00038 -0.00356 -0.00474 45 3 Cu 1S -0.00224 0.00084 0.00323 0.00580 -0.00022 46 2S -0.05465 0.01770 0.06907 0.06646 -0.00128 47 3S -1.28868 0.32805 1.28643 0.54019 -0.00467 48 4PX 0.00741 -0.07173 0.02569 -0.00373 0.00565 49 4PY -0.02151 -0.04390 -0.01027 0.01162 0.00501 50 4PZ 0.02859 -0.00173 0.03087 -0.01673 0.00339 51 5PX -0.03726 0.48884 -0.16067 0.01685 -0.06216 52 5PY 0.11366 0.28834 0.03613 -0.07463 -0.05028 53 5PZ -0.14572 0.02140 -0.16983 0.15535 -0.02458 54 6PX 0.08672 -0.80683 0.40845 0.88814 0.27617 55 6PY -1.27899 -0.61707 -0.55986 -1.43743 -0.27928 56 6PZ 2.10195 0.19464 1.21439 -0.91104 -0.24530 57 7D 0 0.01680 -0.01004 -0.02324 -0.01698 0.00327 58 7D+1 -0.00244 -0.01731 0.01283 -0.01222 0.01391 59 7D-1 -0.01782 -0.00699 0.00742 0.02170 0.00850 60 7D+2 -0.01742 -0.00501 0.02903 -0.01177 -0.00905 61 7D-2 -0.01643 0.02026 0.03610 -0.02473 0.00484 62 8D 0 0.00242 -0.00311 -0.00719 0.00146 0.00115 63 8D+1 -0.00009 -0.00511 0.00463 -0.00301 0.00197 64 8D-1 -0.00320 -0.00253 0.00070 0.00382 0.00169 65 8D+2 -0.00274 -0.00190 0.00811 -0.00112 -0.00324 66 8D-2 -0.00250 0.00605 0.01007 -0.00303 0.00235 67 4 Cu 1S -0.00051 -0.00310 -0.00268 0.00414 -0.00200 68 2S -0.01423 -0.06193 -0.05271 0.05431 -0.01280 69 3S -0.33887 -1.07603 -0.88113 0.49412 -0.03336 70 4PX -0.00673 0.04544 -0.01525 0.02519 -0.02133 71 4PY -0.00331 -0.00480 0.04119 0.00006 0.01342 72 4PZ -0.00082 0.04071 -0.05445 -0.01703 0.02051 73 5PX 0.04482 -0.27365 0.13460 -0.21198 0.12293 74 5PY 0.00988 0.05959 -0.26339 0.02443 -0.12597 75 5PZ 0.02125 -0.28045 0.35739 0.14055 -0.15108 76 6PX -1.97576 1.20931 0.33794 0.45446 1.76526 77 6PY 1.04116 0.37995 0.98337 -0.66592 -3.24239 78 6PZ -2.54152 0.41707 -0.74137 -0.40034 -2.63799 79 7D 0 -0.01729 -0.01518 -0.01832 -0.01694 0.00654 80 7D+1 0.03150 -0.03639 -0.00889 -0.00791 0.00081 81 7D-1 0.03910 0.00953 0.02557 0.03085 -0.00561 82 7D+2 0.03894 -0.01227 0.01392 -0.02780 0.00426 83 7D-2 0.00468 0.01577 0.01417 -0.02316 0.00144 84 8D 0 -0.00272 -0.00389 -0.00520 -0.00424 0.00215 85 8D+1 0.00479 -0.01109 -0.00262 -0.00265 -0.00380 86 8D-1 0.00600 0.00361 0.00897 0.00478 -0.00222 87 8D+2 0.00596 -0.00390 0.00317 -0.00185 0.00636 88 8D-2 0.00100 0.00320 0.00291 -0.00385 -0.00121 89 5 Cu 1S 0.00189 0.00358 -0.00017 0.00309 -0.00118 90 2S 0.04925 0.07505 -0.00260 0.06242 -0.01034 91 3S 1.11192 1.32189 -0.01253 0.88829 -0.04232 92 4PX 0.01974 -0.02199 -0.05565 0.02234 -0.00674 93 4PY -0.00521 0.01155 -0.05732 -0.04128 0.01682 94 4PZ 0.02295 -0.02800 0.03249 -0.01603 0.00420 95 5PX -0.10376 0.11075 0.37463 -0.19351 0.02215 96 5PY 0.01835 -0.06770 0.38058 0.33085 -0.13877 97 5PZ -0.11590 0.14904 -0.22123 0.12844 -0.04426 98 6PX 2.58773 -0.98216 -0.71108 -0.47769 0.93335 99 6PY 0.63440 0.31845 -0.77936 0.27167 -1.53179 100 6PZ 0.59337 -1.12850 0.31525 0.33515 -1.44633 101 7D 0 0.00726 -0.01413 -0.01688 0.01265 -0.00562 102 7D+1 -0.02638 -0.02298 0.00560 -0.01752 0.00827 103 7D-1 -0.02498 -0.02565 0.01173 0.04336 -0.00467 104 7D+2 -0.02649 -0.00887 0.01707 -0.02133 -0.01440 105 7D-2 0.00529 0.03665 0.01400 -0.00251 0.00029 106 8D 0 0.00078 -0.00409 -0.00484 0.00206 -0.00476 107 8D+1 -0.00420 -0.00532 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112 2S -0.07128 0.00000 -0.00744 0.00177 0.21721 113 3S -0.17082 -0.00093 0.17830 -0.03822 3.92965 114 4PX -0.00381 0.00004 0.00114 -0.00298 -0.01254 115 4PY 0.00710 0.00001 -0.00332 -0.00091 0.01787 116 4PZ -0.01587 0.00003 0.00037 -0.00022 0.06141 117 5PX 0.05041 0.00023 0.00811 0.05714 0.24334 118 5PY -0.08873 0.00035 0.01714 0.03350 -0.36743 119 5PZ 0.12258 -0.00007 -0.04362 0.01125 -0.75815 120 6PX -2.67484 0.04372 -0.04321 -0.16755 -0.21152 121 6PY 4.73076 0.02398 0.00900 -0.10285 0.24660 122 6PZ -6.37725 0.00386 0.09864 -0.03429 2.24907 123 7D 0 0.00587 0.00001 -0.05675 0.01523 -0.04912 124 7D+1 0.01659 -0.00010 -0.00608 0.07363 -0.02167 125 7D-1 -0.02636 -0.00006 0.04945 0.03238 0.03587 126 7D+2 0.01531 -0.00007 0.03808 0.03807 -0.03394 127 7D-2 0.03147 0.00009 0.04804 -0.03597 -0.06788 128 8D 0 0.00321 0.00000 -0.01213 0.00322 -0.01549 129 8D+1 0.00425 -0.00001 -0.00230 0.01556 -0.01426 130 8D-1 -0.00691 -0.00002 0.01214 0.00638 0.02308 131 8D+2 0.00423 -0.00002 0.00793 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0.02854 -0.11181 -0.03741 0.01981 0.03882 38 7D+2 0.01226 -0.03222 0.02736 0.00616 -0.01557 39 7D-2 0.03725 0.03947 -0.05611 -0.03853 -0.06475 40 8D 0 -0.01113 0.00342 0.00747 -0.01343 0.01018 41 8D+1 -0.00877 -0.01041 0.00611 -0.02938 0.00110 42 8D-1 0.00807 -0.03049 -0.01610 0.01177 0.01690 43 8D+2 0.00283 -0.01088 0.00412 -0.00037 -0.00542 44 8D-2 0.01753 0.00840 -0.00174 -0.00793 -0.02471 45 3 Cu 1S 0.00458 0.00045 0.01012 -0.00053 -0.00323 46 2S -0.01030 0.00036 0.05073 0.01356 0.11325 47 3S -1.28760 -0.07780 -0.20854 0.90281 7.21912 48 4PX 0.01181 -0.08083 -0.02274 0.01276 -0.01719 49 4PY -0.00614 -0.04243 0.03166 0.01273 0.04675 50 4PZ -0.00825 -0.00958 0.01515 -0.00922 -0.08373 51 5PX -0.18882 1.22883 0.41235 -0.57011 0.47304 52 5PY 0.12635 0.65663 -0.56304 -0.45271 -1.13083 53 5PZ 0.06065 0.13975 -0.32785 0.19578 2.06601 54 6PX 0.09524 -1.95791 -0.58775 -0.02540 0.40094 55 6PY 0.37636 -1.01027 0.72972 -0.16452 -0.87651 56 6PZ -0.87467 -0.32443 0.97087 0.07085 0.71928 57 7D 0 0.04407 0.01679 -0.09569 -0.00321 0.02521 58 7D+1 -0.02086 0.05272 0.03326 -0.03617 0.04451 59 7D-1 -0.00669 0.02564 -0.01974 -0.02584 -0.06685 60 7D+2 -0.04930 0.02923 -0.00291 -0.01855 0.02732 61 7D-2 -0.06702 -0.04060 -0.00291 0.02850 0.04630 62 8D 0 0.01537 0.00596 -0.02182 -0.00288 0.00652 63 8D+1 -0.00491 0.01947 0.01188 -0.01756 0.01849 64 8D-1 -0.00572 0.00893 -0.00964 -0.01135 -0.02424 65 8D+2 -0.01444 0.00979 0.00387 -0.01008 0.01296 66 8D-2 -0.01820 -0.01284 0.00781 0.01334 0.02020 67 4 Cu 1S 0.00044 0.00417 0.00769 -0.00183 0.00555 68 2S -0.01095 0.00328 0.03342 0.04533 -0.09157 69 3S -0.87492 -0.67517 -1.03605 3.20718 -6.66459 70 4PX 0.03754 -0.00502 -0.02721 0.03764 -0.07019 71 4PY -0.03816 0.00866 0.03063 0.01473 -0.04876 72 4PZ 0.04969 -0.01858 -0.01461 -0.02905 0.00548 73 5PX -0.54115 0.12696 0.55694 -0.80414 1.80457 74 5PY 0.61772 -0.04778 -0.38624 -0.48645 1.20748 75 5PZ -0.73313 0.28422 0.30033 0.95069 -0.01924 76 6PX 1.14823 0.66607 -0.38406 -0.02118 0.85533 77 6PY -0.58356 0.44170 0.64446 -0.93853 0.52435 78 6PZ 1.29172 -0.82325 -0.43291 -0.29938 -0.20552 79 7D 0 -0.02359 -0.04551 -0.00131 0.01522 0.01386 80 7D+1 0.02460 -0.09830 0.00733 -0.03725 -0.04741 81 7D-1 0.03602 0.06900 -0.01025 -0.07043 0.04010 82 7D+2 0.03781 -0.01601 -0.06357 0.02753 -0.03729 83 7D-2 0.01391 0.01706 0.00327 0.01229 -0.05146 84 8D 0 -0.00606 -0.01351 0.00796 0.00698 0.00450 85 8D+1 0.00923 -0.02829 0.00344 -0.01385 -0.02169 86 8D-1 0.01052 0.01574 -0.01464 -0.02929 0.01485 87 8D+2 0.01780 -0.00210 -0.00311 0.00194 -0.01318 88 8D-2 0.00508 0.00854 0.00442 0.00555 -0.01784 89 5 Cu 1S -0.00532 0.00198 0.00229 0.00499 -0.00229 90 2S -0.01565 0.00172 0.00945 -0.08813 0.05385 91 3S -0.46838 -0.25145 -1.39068 -6.22866 3.40440 92 4PX -0.02272 -0.04251 0.01126 -0.05298 0.02029 93 4PY -0.03461 -0.05850 0.00730 0.00605 -0.01120 94 4PZ 0.00008 0.03104 -0.01632 -0.06079 0.04145 95 5PX 0.33041 0.66250 -0.15282 1.39627 -0.29193 96 5PY 0.54371 0.88797 -0.01613 -0.00627 0.48468 97 5PZ 0.04537 -0.43846 0.55914 1.49013 -1.17081 98 6PX -0.89171 -0.68493 1.14604 0.85097 -0.36141 99 6PY -0.53014 -1.61038 -0.60163 -0.41851 0.37248 100 6PZ 0.11125 0.89591 -0.41414 0.38308 -0.23060 101 7D 0 -0.00615 0.04393 -0.01005 -0.01275 0.04414 102 7D+1 -0.01799 0.00561 0.01331 -0.04964 0.01913 103 7D-1 -0.07902 -0.00277 0.03786 0.02869 -0.04489 104 7D+2 -0.01839 -0.02870 0.01044 -0.02835 -0.01825 105 7D-2 0.06397 -0.07792 -0.03899 -0.05385 0.00935 106 8D 0 -0.00666 0.01393 -0.01955 -0.00066 0.01675 107 8D+1 -0.00958 0.00310 0.00234 -0.01751 0.00520 108 8D-1 -0.02878 -0.00493 -0.01316 0.01203 -0.02451 109 8D+2 -0.00590 -0.00987 0.01015 -0.01313 -0.01072 110 8D-2 0.01691 -0.02346 -0.00870 -0.02411 0.00174 111 6 Cu 1S -0.01864 0.00007 -0.04945 0.00036 -0.00645 112 2S -0.04925 -0.00035 -0.33752 0.00315 -0.05096 113 3S 4.35802 -0.03945 3.21646 0.01397 -0.11181 114 4PX -0.00748 0.04700 0.01357 -0.04419 0.00300 115 4PY 0.01541 0.02839 -0.01960 -0.02618 -0.01512 116 4PZ -0.04743 0.00172 -0.04888 -0.00244 0.02012 117 5PX 0.51035 -0.47831 0.60838 0.75627 0.01566 118 5PY -0.86145 -0.28314 -1.02420 0.45801 0.14905 119 5PZ 0.24715 -0.01653 0.32372 0.04434 -0.43676 120 6PX -1.10919 0.82504 -1.13671 -1.01177 0.03130 121 6PY 1.83623 0.48310 1.89219 -0.59020 -0.26852 122 6PZ 0.05406 0.01999 -0.50607 -0.05608 0.39916 123 7D 0 0.02149 -0.00084 0.03962 0.00705 -0.06225 124 7D+1 -0.02974 -0.01470 -0.01041 0.07440 -0.01384 125 7D-1 0.04542 -0.00998 0.01526 0.04143 0.04074 126 7D+2 -0.01016 0.01730 0.01281 0.03064 0.03286 127 7D-2 -0.02304 -0.00817 0.02313 -0.02232 0.05713 128 8D 0 -0.00778 -0.00001 -0.00312 0.00278 -0.02508 129 8D+1 -0.02067 -0.00147 -0.02276 0.02928 -0.00785 130 8D-1 0.03274 -0.00130 0.03589 0.01597 0.01976 131 8D+2 -0.01631 0.00236 -0.01563 0.01220 0.01122 132 8D-2 -0.03372 -0.00085 -0.03271 -0.00858 0.01876 133 7 Cu 1S 0.00594 0.00001 0.02186 -0.00026 0.00316 134 2S 0.01474 0.00027 0.11830 -0.00136 0.01880 135 3S 0.02283 0.00220 1.82351 0.00717 0.25801 136 4PX -0.01726 0.06252 0.01059 0.04122 -0.00441 137 4PY 0.03139 0.03774 -0.02108 0.02412 0.01658 138 4PZ -0.03922 0.00208 0.07180 0.00192 -0.01429 139 5PX 0.22771 -0.73185 -0.01770 -0.69841 0.07680 140 5PY -0.40886 -0.44178 0.08470 -0.41057 -0.28239 141 5PZ 0.42545 -0.02421 -1.12048 -0.03158 0.20219 142 6PX -0.63778 2.37483 0.95777 1.14552 -0.03626 143 6PY 1.16058 1.42842 -1.67982 0.67127 0.31235 144 6PZ -1.47879 0.08005 2.10720 0.06242 -0.49080 145 7D 0 -0.03333 0.00155 0.02710 0.00790 -0.06729 146 7D+1 -0.00177 0.02450 -0.00253 0.08174 -0.01567 147 7D-1 0.00452 0.01607 0.00332 0.04510 0.04442 148 7D+2 -0.01554 -0.04226 0.01322 0.02657 0.03042 149 7D-2 -0.02926 0.02131 0.02507 -0.02083 0.05525 150 8D 0 -0.00763 0.00038 0.01199 0.00418 -0.03216 151 8D+1 -0.00502 0.00586 -0.00930 0.04148 -0.00870 152 8D-1 0.00845 0.00379 0.01443 0.02270 0.02278 153 8D+2 -0.00634 -0.01033 0.00060 0.01368 0.01473 154 8D-2 -0.01250 0.00522 0.00022 -0.01091 0.02694 155 8 C 1S 0.03385 -0.00037 -0.01664 0.00023 -0.00453 156 2S -0.07749 0.00089 0.05618 -0.00121 0.01203 157 3S -0.57524 0.00564 0.07374 -0.00175 0.07817 158 4PX 0.03874 0.13502 0.03282 -0.03792 -0.00289 159 4PY -0.05691 0.08261 -0.05770 -0.02269 -0.00441 160 4PZ -0.09447 0.00473 0.08640 -0.00142 -0.00106 161 5PX 0.55703 0.06643 0.77933 -0.14353 0.07799 162 5PY -0.89171 0.04849 -1.25175 -0.07864 -0.16409 163 5PZ -0.49459 0.00592 -0.61439 -0.00436 0.04975 164 9 O 1S 0.02652 -0.00015 0.05963 -0.00052 0.00854 165 2S -0.02740 0.00014 -0.09244 0.00120 -0.01497 166 3S -0.50344 0.00292 -0.93473 0.00555 -0.12321 167 4PX 0.03275 -0.05545 0.07122 0.05530 0.00253 168 4PY -0.05514 -0.03337 -0.11620 0.03269 0.00198 169 4PZ 0.00390 -0.00149 -0.02106 0.00565 -0.03743 170 5PX 0.00284 -0.03992 0.07812 0.02287 0.01918 171 5PY -0.01000 -0.02441 -0.13290 0.01601 -0.02267 172 5PZ 0.09641 -0.00212 0.06758 -0.00004 -0.00399 116 117 118 119 120 V V V V V EIGENVALUES -- 0.25253 0.26105 0.27801 0.28658 0.31089 1 1 Cu 1S -0.00049 -0.00013 0.00104 0.00001 0.01511 2 2S 0.06408 -0.01231 -0.06208 0.00019 0.09514 3 3S 3.74253 -1.20454 -3.24603 -0.00695 0.46935 4 4PX -0.01192 -0.02621 0.01608 -0.06286 0.00351 5 4PY -0.05686 0.03797 0.03670 -0.00353 -0.00565 6 4PZ 0.00776 0.00904 -0.03659 -0.04195 0.02046 7 5PX 0.30374 0.75056 -0.54135 1.68085 -0.24351 8 5PY 1.46031 -1.06016 -0.91520 0.09286 -0.19730 9 5PZ -0.17156 -0.14075 1.18343 1.12630 -0.88494 10 6PX 0.65878 -0.68386 -0.34669 -4.90210 0.03075 11 6PY -0.24717 0.42836 -0.38417 -0.27149 0.22490 12 6PZ -1.06597 0.80312 0.36145 -3.27057 0.05246 13 7D 0 -0.05498 0.05968 -0.04099 -0.05118 0.06289 14 7D+1 0.05256 -0.09170 0.06225 -0.02567 0.01457 15 7D-1 -0.02584 0.01494 0.06633 0.03374 0.02319 16 7D+2 -0.03708 0.07876 0.00724 0.02367 0.05946 17 7D-2 0.02860 0.02260 -0.03264 0.05686 -0.04497 18 8D 0 -0.01563 0.00564 -0.00640 -0.01990 0.01220 19 8D+1 0.01577 -0.00854 0.02840 -0.01021 0.00437 20 8D-1 -0.01196 0.00326 0.01664 0.01341 -0.01319 21 8D+2 -0.00858 0.01916 0.01858 0.00913 0.00574 22 8D-2 0.01116 0.00917 -0.00613 0.02165 -0.00031 23 2 Cu 1S 0.00526 0.00783 0.00725 -0.00087 -0.00618 24 2S -0.01581 0.06442 -0.01796 -0.00474 -0.09510 25 3S -2.28620 1.18571 -2.71434 -0.02126 -2.92528 26 4PX 0.03957 -0.02123 0.04065 0.00685 0.03955 27 4PY -0.02852 0.00215 0.01176 0.05123 0.00241 28 4PZ -0.01029 -0.02164 0.00504 -0.05523 0.03318 29 5PX -1.00615 0.43283 -1.38894 -0.17678 -0.87375 30 5PY 0.79632 -0.03220 -0.16595 -1.36915 -0.06660 31 5PZ 0.17364 0.51696 0.01490 1.47731 -1.47868 32 6PX 0.43486 0.42809 -0.28887 0.47677 -0.52716 33 6PY -1.10119 -0.11876 -0.14924 3.98142 -0.15994 34 6PZ -0.94605 -0.36367 -0.37607 -4.30710 -0.08826 35 7D 0 0.03308 0.00665 0.06525 0.03966 -0.03158 36 7D+1 0.01297 0.01890 -0.00911 0.05761 -0.08003 37 7D-1 0.05162 -0.00855 -0.00423 -0.00404 -0.05358 38 7D+2 -0.07890 0.00779 -0.10353 0.00901 0.00246 39 7D-2 0.05604 -0.00875 -0.00938 -0.05689 0.00052 40 8D 0 0.00550 0.00585 0.01904 0.01558 -0.00489 41 8D+1 -0.00146 0.01067 -0.00302 0.02170 -0.02250 42 8D-1 0.01996 -0.00554 -0.02199 -0.00157 -0.01041 43 8D+2 -0.01967 -0.00168 -0.02688 0.00364 -0.00630 44 8D-2 0.01491 0.01089 0.00147 -0.02185 -0.00230 45 3 Cu 1S -0.00086 0.01475 0.01145 0.00008 -0.01945 46 2S 0.00934 0.05441 0.00845 0.00041 -0.20386 47 3S 0.75440 -1.13977 -2.46924 -0.00098 -4.68952 48 4PX -0.00820 0.01111 0.00985 0.06654 0.01766 49 4PY 0.00591 -0.01932 -0.02597 0.03527 -0.04353 50 4PZ -0.00528 -0.01957 0.02221 0.00788 0.06771 51 5PX 0.06947 -0.32492 -0.46171 -1.77615 -0.32152 52 5PY -0.22018 0.56462 1.07270 -0.94073 0.81773 53 5PZ 0.11900 0.40036 -0.56542 -0.21123 -2.05373 54 6PX -0.21686 0.52360 0.06887 5.15952 -0.17579 55 6PY -0.04518 -0.87407 -0.07335 2.73247 0.50895 56 6PZ 0.15395 -0.76106 -0.49854 0.61286 -0.71745 57 7D 0 -0.00874 0.04782 0.01524 -0.01348 -0.07449 58 7D+1 0.00240 -0.02017 -0.03739 -0.06710 0.01054 59 7D-1 -0.01122 0.02874 0.08860 -0.02909 -0.00297 60 7D+2 -0.00698 0.02277 0.05886 -0.04014 -0.00142 61 7D-2 0.00239 0.02612 0.06558 0.03676 0.00722 62 8D 0 -0.00341 0.02011 -0.00621 -0.00506 -0.02408 63 8D+1 -0.00336 -0.00544 -0.00161 -0.02517 -0.00595 64 8D-1 -0.00571 0.00444 0.01488 -0.01095 0.01842 65 8D+2 -0.00325 0.00683 0.02237 -0.01477 0.00306 66 8D-2 0.00397 0.00966 0.02977 0.01358 0.00282 67 4 Cu 1S -0.00430 0.00611 0.00587 0.00080 -0.00190 68 2S -0.00278 0.06129 -0.02773 0.00413 -0.05803 69 3S 0.95596 1.41481 -2.82655 0.01163 -2.27989 70 4PX -0.01763 0.01037 -0.03542 0.03527 -0.02006 71 4PY 0.03873 0.02769 -0.02811 -0.02893 -0.02677 72 4PZ 0.01872 -0.01444 -0.00344 0.06032 0.02460 73 5PX 0.51447 -0.20826 0.95818 -0.93920 0.54158 74 5PY -1.05139 -0.61530 1.04429 0.77780 0.65090 75 5PZ -0.35374 0.37537 0.27212 -1.61073 -1.29179 76 6PX -0.69155 -0.17684 0.34157 2.72257 0.32451 77 6PY 1.07290 -0.21224 0.25800 -2.28575 0.28144 78 6PZ 0.95381 -0.27968 -0.29101 4.68905 0.05739 79 7D 0 -0.01785 -0.00266 0.06085 -0.01810 0.00499 80 7D+1 0.04285 0.00050 -0.01631 0.04934 0.09401 81 7D-1 0.01462 -0.01632 -0.02612 0.05064 0.04279 82 7D+2 -0.10250 -0.03065 0.02581 0.05362 -0.01298 83 7D-2 0.04139 0.01650 -0.09556 -0.00112 -0.01664 84 8D 0 -0.00180 0.00330 0.02178 -0.00735 0.00205 85 8D+1 0.01101 0.00140 0.01278 0.01893 0.02062 86 8D-1 -0.00353 -0.01438 -0.01801 0.01908 0.01035 87 8D+2 -0.02945 0.00517 0.00535 0.02074 -0.00067 88 8D-2 0.00999 0.00667 -0.02371 -0.00042 -0.00743 89 5 Cu 1S 0.00078 -0.00027 0.00041 0.00005 0.01766 90 2S -0.05266 -0.02547 -0.06657 -0.00013 0.11708 91 3S -3.18341 -1.92484 -3.27945 -0.00469 0.81064 92 4PX -0.04562 -0.02830 -0.03363 -0.04499 0.00578 93 4PY 0.01453 0.04426 0.01061 -0.05353 -0.00649 94 4PZ -0.01208 0.00666 -0.04236 0.02902 0.02328 95 5PX 1.22331 0.75819 0.87423 1.20228 0.22565 96 5PY -0.32062 -1.26037 -0.17869 1.43121 0.07109 97 5PZ 0.25933 -0.10179 1.33207 -0.77942 -0.84641 98 6PX 0.00807 -0.10789 0.42603 -3.49309 -0.24723 99 6PY 0.43817 0.78673 0.03294 -4.17606 0.13406 100 6PZ 0.91179 1.06581 0.49159 2.27152 -0.03128 101 7D 0 0.05661 0.09651 -0.06612 0.04313 0.04386 102 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0.53930 0.05943 12 6PZ -0.01871 0.02802 0.25145 -0.51009 0.11569 13 7D 0 -0.17275 0.09234 -0.00982 -0.00518 0.15077 14 7D+1 0.00563 0.10235 -0.05929 0.01713 0.10204 15 7D-1 -0.06788 0.08720 -0.15200 0.00900 -0.07969 16 7D+2 0.00641 -0.15251 -0.01521 -0.03364 -0.00973 17 7D-2 -0.10628 0.13435 0.04125 -0.08833 -0.17425 18 8D 0 0.22883 -0.14785 0.03338 0.00807 -0.20767 19 8D+1 0.00322 -0.13709 0.09705 0.00913 -0.16197 20 8D-1 0.10182 -0.12255 0.22894 -0.06360 0.10766 21 8D+2 -0.03257 0.20465 0.04527 0.04604 -0.00397 22 8D-2 0.14948 -0.19594 -0.07668 0.14743 0.24000 23 2 Cu 1S -0.01276 -0.00564 0.06117 0.12219 -0.18360 24 2S -0.01994 -0.00758 0.10176 0.18705 -0.32535 25 3S 0.28367 0.15955 -1.47617 -3.20287 4.12642 26 4PX -0.00253 -0.00591 0.00746 0.00745 -0.00465 27 4PY 0.00211 0.00918 0.00664 0.00087 -0.00458 28 4PZ 0.00171 0.00749 0.00433 0.00818 0.00112 29 5PX 0.09937 0.12502 -0.48093 -0.69718 0.81362 30 5PY -0.03406 -0.16241 -0.08466 -0.13274 0.37857 31 5PZ 0.00408 -0.14271 -0.43117 -0.26478 0.21728 32 6PX -0.01065 -0.04048 -0.19382 -0.34289 0.78356 33 6PY 0.04957 0.12366 0.08498 -0.02156 0.38327 34 6PZ 0.10503 0.06073 -0.43557 -0.26241 0.14601 35 7D 0 0.19501 -0.11563 0.01828 0.16416 0.08282 36 7D+1 -0.13300 -0.01000 0.09476 0.08748 0.06872 37 7D-1 0.01668 -0.05731 0.00119 -0.04291 -0.00911 38 7D+2 0.17422 0.03682 0.00870 -0.03561 -0.00271 39 7D-2 0.06231 -0.08579 0.04602 -0.12462 -0.13917 40 8D 0 -0.28748 0.15303 -0.01960 -0.22467 -0.12673 41 8D+1 0.18953 -0.00056 -0.16292 -0.12953 -0.06081 42 8D-1 -0.02891 0.06352 -0.02173 0.08382 -0.00849 43 8D+2 -0.24194 -0.03122 -0.04201 0.03601 0.03128 44 8D-2 -0.09338 0.10538 -0.06607 0.15392 0.23364 45 3 Cu 1S -0.00786 0.01453 0.10678 -0.01442 0.13461 46 2S -0.01276 0.02387 0.16235 -0.02400 0.21888 47 3S 0.16577 -0.29532 -2.62803 0.32305 -3.29807 48 4PX -0.00171 0.00578 0.00042 0.00463 0.00073 49 4PY 0.00344 -0.00911 -0.00485 0.00288 -0.00151 50 4PZ 0.00205 -0.00670 0.01695 -0.00073 0.00192 51 5PX 0.06357 -0.10433 -0.18546 -0.30439 -0.12540 52 5PY -0.06728 0.19887 0.47058 -0.21926 0.36561 53 5PZ -0.00103 0.06391 -0.81333 0.04585 -0.44339 54 6PX 0.00778 0.10062 0.07888 -0.36623 -0.08092 55 6PY 0.06796 -0.10901 -0.11305 -0.20964 0.25768 56 6PZ 0.08486 -0.17837 -0.61469 0.02405 -0.40789 57 7D 0 -0.01092 0.11786 0.06367 0.03204 -0.07757 58 7D+1 0.12983 0.01334 0.02207 0.20519 -0.00302 59 7D-1 0.08460 0.06038 -0.01614 0.09270 0.06592 60 7D+2 -0.23167 -0.03517 0.04321 0.11528 0.05293 61 7D-2 0.10842 0.09678 0.06270 -0.10826 0.06743 62 8D 0 0.00604 -0.14103 -0.11316 -0.04439 0.12270 63 8D+1 -0.18415 -0.02974 -0.04408 -0.29739 -0.01803 64 8D-1 -0.12768 -0.07498 0.05927 -0.13967 -0.06316 65 8D+2 0.33005 0.06260 -0.04234 -0.16750 -0.09331 66 8D-2 -0.16196 -0.12553 -0.06778 0.15546 -0.13115 67 4 Cu 1S 0.01224 0.00311 0.04391 -0.13401 -0.18280 68 2S 0.01806 0.00595 0.07695 -0.20938 -0.32788 69 3S -0.30028 -0.02089 -1.03807 3.41479 4.03677 70 4PX 0.00431 -0.00382 -0.00825 0.00765 0.00467 71 4PY -0.00819 0.00557 -0.00214 0.00647 0.00063 72 4PZ -0.00617 0.00469 0.00106 -0.00725 0.00267 73 5PX -0.04657 0.08173 0.31447 -0.60500 -0.75934 74 5PY 0.18330 -0.08672 0.30718 -0.57151 -0.44294 75 5PZ 0.10905 -0.10485 -0.31547 0.17405 0.03723 76 6PX 0.09743 -0.03255 0.03969 -0.28126 -0.77847 77 6PY -0.08375 0.04244 0.28172 -0.34611 -0.43862 78 6PZ -0.09151 -0.01652 -0.33124 0.23825 -0.02126 79 7D 0 -0.11608 -0.21732 -0.03955 -0.11770 0.05751 80 7D+1 -0.04840 0.05013 -0.03577 0.10595 -0.07855 81 7D-1 -0.08984 -0.06495 -0.06576 0.12962 -0.06764 82 7D+2 0.06580 -0.08147 0.04704 0.09994 -0.11560 83 7D-2 -0.12572 -0.10294 0.04730 0.04060 -0.04429 84 8D 0 0.17313 0.31182 0.07192 0.15848 -0.09546 85 8D+1 0.04903 -0.05787 0.08060 -0.13341 0.11995 86 8D-1 0.12340 0.09898 0.09749 -0.19737 0.05961 87 8D+2 -0.07086 0.09971 -0.06053 -0.13054 0.18526 88 8D-2 0.17057 0.15260 -0.09513 -0.02939 0.10823 89 5 Cu 1S -0.01310 0.00067 0.03580 0.13572 0.00158 90 2S -0.02143 0.00140 0.09385 0.24795 0.00141 91 3S 0.38185 -0.03429 -0.45999 -2.95838 -0.10488 92 4PX -0.00561 -0.00026 0.00548 0.00183 0.00746 93 4PY 0.00987 -0.00002 -0.00217 -0.00396 0.00298 94 4PZ 0.00922 -0.00026 0.00322 0.00275 -0.00033 95 5PX 0.06087 0.01219 0.21208 0.25301 -0.16216 96 5PY -0.15246 -0.01248 -0.05620 -0.18544 -0.02820 97 5PZ -0.20553 0.00968 -0.06960 0.35681 -0.02297 98 6PX -0.08501 0.00080 0.16293 0.39274 -0.14632 99 6PY 0.09389 0.04561 0.28887 -0.22935 -0.10728 100 6PZ -0.02311 0.02795 0.40738 0.49433 0.08274 101 7D 0 0.09449 0.12714 0.05087 0.00185 0.10890 102 7D+1 0.00672 -0.15132 0.16294 0.00379 -0.07441 103 7D-1 0.06148 -0.05392 -0.04011 0.01844 -0.14595 104 7D+2 -0.03331 0.22869 0.02269 0.06443 -0.16809 105 7D-2 0.06924 -0.03131 0.00352 0.07345 -0.04102 106 8D 0 -0.10708 -0.18290 -0.05888 -0.00237 -0.14280 107 8D+1 -0.00345 0.21725 -0.25856 -0.02539 0.11312 108 8D-1 -0.07807 0.07782 0.06416 0.02822 0.21228 109 8D+2 0.04201 -0.32984 -0.05384 -0.09796 0.23544 110 8D-2 -0.07593 0.04766 0.01371 -0.12167 0.03458 111 6 Cu 1S -0.00172 0.00324 0.00587 0.00180 0.00138 112 2S -0.00654 0.01125 0.05987 -0.00069 -0.01504 113 3S -0.05546 0.08265 1.24834 -0.24623 -1.83037 114 4PX -0.00046 -0.00001 0.01752 0.01031 -0.00532 115 4PY 0.00027 0.00019 -0.02873 0.00857 0.00564 116 4PZ 0.00014 -0.00043 0.00057 0.00201 0.01102 117 5PX 0.04153 -0.01734 -0.60189 -0.41846 0.20608 118 5PY -0.01955 0.03825 0.98308 -0.33013 -0.21282 119 5PZ -0.00849 0.02734 0.00418 -0.08109 -0.37628 120 6PX -0.12308 -0.00102 0.49036 -0.17356 0.10525 121 6PY 0.02161 -0.15585 -0.83141 -0.04158 -0.10755 122 6PZ -0.08325 0.14428 0.43205 -0.04793 -0.08392 123 7D 0 0.05680 -0.08286 0.10228 -0.01886 -0.08201 124 7D+1 0.14459 0.02450 -0.11616 -0.06595 -0.00794 125 7D-1 0.01557 0.12126 0.17579 -0.03072 0.06739 126 7D+2 0.06886 0.10973 -0.02186 -0.14257 0.09703 127 7D-2 -0.11504 0.06339 -0.04811 0.10703 0.12077 128 8D 0 -0.08467 0.12264 -0.14937 0.03387 0.14258 129 8D+1 -0.21641 -0.03438 0.19685 0.12594 0.00162 130 8D-1 -0.02166 -0.18293 -0.29844 0.06456 -0.10044 131 8D+2 -0.10273 -0.16059 0.04609 0.22207 -0.17120 132 8D-2 0.16847 -0.09053 0.09902 -0.17403 -0.22226 133 7 Cu 1S 0.00548 -0.00859 -0.12227 0.01607 0.09037 134 2S 0.00701 -0.01118 -0.16256 0.02383 0.14067 135 3S -0.21650 0.33356 4.59974 -0.55326 -3.00390 136 4PX 0.00038 -0.00100 -0.01307 0.00314 0.00500 137 4PY -0.00110 0.00124 0.02062 -0.00053 -0.00858 138 4PZ -0.00113 0.00173 0.01962 -0.00143 -0.00652 139 5PX 0.00212 0.03493 0.30006 -0.32688 -0.22765 140 5PY 0.03677 -0.03751 -0.45575 -0.09662 0.42964 141 5PZ 0.03935 -0.05310 -0.86706 0.04580 0.23784 142 6PX 0.06830 0.02828 0.08834 -0.11227 -0.19222 143 6PY 0.01900 0.05745 -0.09665 -0.01275 0.30879 144 6PZ 0.07128 -0.10985 -0.93148 0.07295 0.18296 145 7D 0 -0.05148 0.08141 -0.01272 -0.02812 -0.11438 146 7D+1 -0.10871 -0.03205 -0.10324 -0.14574 0.01743 147 7D-1 -0.02467 -0.09108 0.15509 -0.07993 0.04314 148 7D+2 -0.04460 -0.10119 -0.03879 -0.08836 0.09757 149 7D-2 0.09927 -0.07343 -0.07208 0.08725 0.13921 150 8D 0 0.06884 -0.11019 0.04040 0.04669 0.19160 151 8D+1 0.14422 0.04378 0.15465 0.24628 -0.03191 152 8D-1 0.03344 0.12133 -0.23247 0.13667 -0.06759 153 8D+2 0.05943 0.13687 0.06729 0.12767 -0.15720 154 8D-2 -0.13407 0.10024 0.12546 -0.13398 -0.22744 155 8 C 1S 0.00038 0.00051 -0.04627 0.00227 -0.00428 156 2S 0.02093 -0.03641 -0.10113 -0.00462 -0.06270 157 3S 0.00797 -0.00893 0.04801 0.00003 -0.00209 158 4PX 0.00880 -0.01498 -0.01310 -0.04960 0.08848 159 4PY -0.01160 0.01890 0.01875 -0.03687 -0.12743 160 4PZ -0.00581 0.01406 0.02009 -0.00947 -0.04593 161 5PX -0.00317 -0.01993 -0.22224 0.34245 -0.01531 162 5PY -0.02754 0.03160 0.35676 0.15558 -0.05498 163 5PZ -0.00965 -0.00168 0.35296 0.02781 0.06774 164 9 O 1S 0.00236 -0.00379 -0.01645 0.00086 0.00300 165 2S -0.00582 0.01050 -0.00953 0.00012 -0.01569 166 3S -0.02365 0.03559 0.31142 -0.02170 -0.04138 167 4PX -0.05604 -0.01898 0.25961 0.23248 0.05774 168 4PY -0.01218 -0.03447 -0.43148 0.15497 -0.14935 169 4PZ -0.03586 0.05172 0.18744 0.03313 0.06557 170 5PX 0.09500 0.00088 -0.44282 -0.38450 -0.02613 171 5PY -0.00772 0.08886 0.73593 -0.26092 0.13397 172 5PZ 0.04713 -0.06485 -0.30818 -0.05272 -0.11033 131 132 133 134 135 V V V V V EIGENVALUES -- 0.68238 0.68615 0.68903 0.71667 0.73070 1 1 Cu 1S 0.11927 -0.12718 -0.05044 -0.00254 0.00646 2 2S 0.20115 -0.18095 -0.07695 -0.04867 -0.02445 3 3S -2.71816 3.47157 1.12985 -0.80750 -0.52424 4 4PX 0.00139 -0.00428 0.00325 0.00157 0.00885 5 4PY 0.00882 -0.01468 -0.00728 0.00662 -0.00018 6 4PZ -0.00883 0.00596 0.00136 -0.00812 -0.00323 7 5PX -0.14884 0.62135 -0.12214 0.13038 -0.34675 8 5PY -0.59587 0.71169 0.35145 -0.18223 -0.17903 9 5PZ 0.53886 -0.37029 -0.34070 0.39841 -0.03716 10 6PX 0.13177 0.41746 0.00284 0.10659 0.00885 11 6PY -0.64159 0.25817 -0.11186 0.21321 0.00710 12 6PZ 0.25010 -0.02893 -0.34400 0.03320 -0.03979 13 7D 0 0.04284 0.08963 -0.04147 0.00212 0.06661 14 7D+1 0.01497 -0.06424 0.01260 0.14696 0.02375 15 7D-1 -0.07167 -0.11831 -0.02246 0.12000 0.13489 16 7D+2 -0.08918 -0.03988 0.08581 0.14421 0.08088 17 7D-2 -0.07012 0.05292 0.05963 -0.08105 -0.01834 18 8D 0 -0.06152 -0.13998 0.06869 -0.01535 -0.08424 19 8D+1 -0.00398 0.08600 -0.02381 -0.22723 -0.03578 20 8D-1 0.13434 0.15615 0.01862 -0.17905 -0.21522 21 8D+2 0.14995 0.06937 -0.13660 -0.20958 -0.11910 22 8D-2 0.08426 -0.04431 -0.09030 0.14126 0.01711 23 2 Cu 1S 0.01905 -0.00913 -0.01494 -0.05525 0.03041 24 2S 0.04732 0.03664 -0.05383 -0.07007 0.00085 25 3S -0.41557 0.68508 -0.41110 1.24483 -1.42798 26 4PX 0.00435 -0.01204 0.00875 -0.00583 0.01183 27 4PY -0.00093 -0.00923 0.00215 0.00442 -0.00022 28 4PZ 0.00262 -0.00500 0.00056 -0.00566 -0.00087 29 5PX -0.21832 0.44192 -0.17249 0.30994 -0.44682 30 5PY -0.10070 0.29285 0.19461 -0.17816 -0.25036 31 5PZ -0.00548 -0.06411 -0.10120 0.52137 -0.07158 32 6PX -0.24903 -0.26071 0.13834 0.12898 -0.11283 33 6PY -0.11393 0.24722 0.08940 -0.09613 0.07142 34 6PZ 0.05014 -0.14129 -0.01189 0.16646 0.04631 35 7D 0 -0.01354 -0.04171 0.03277 -0.03199 0.01427 36 7D+1 0.10990 0.14076 -0.05621 0.03728 -0.14465 37 7D-1 0.06743 -0.01745 -0.08137 -0.09032 -0.05643 38 7D+2 0.09453 0.13788 -0.11012 0.00397 -0.09764 39 7D-2 0.03222 -0.04388 0.00968 0.11027 -0.17000 40 8D 0 0.03865 0.04884 -0.05540 0.06083 -0.02163 41 8D+1 -0.15701 -0.22006 0.08052 -0.02939 0.22052 42 8D-1 -0.12677 0.03960 0.12223 0.13683 0.08279 43 8D+2 -0.15437 -0.19376 0.15788 -0.00012 0.15830 44 8D-2 -0.05635 0.05895 0.01000 -0.17576 0.24200 45 3 Cu 1S 0.12651 -0.00361 -0.03267 -0.09710 -0.00294 46 2S 0.24529 -0.01759 -0.09694 -0.10152 0.00057 47 3S -3.01005 -0.14063 -0.20927 2.76091 0.14994 48 4PX 0.00150 0.00448 0.00215 -0.00526 0.00895 49 4PY -0.00306 -0.00015 -0.00830 0.01075 0.00593 50 4PZ 0.00264 0.00316 0.00776 -0.01190 0.00047 51 5PX -0.15633 0.29851 -0.17672 0.20379 -0.38325 52 5PY 0.38484 0.24649 0.17960 -0.44325 -0.23449 53 5PZ -0.51871 -0.00054 -0.02576 0.76492 -0.00211 54 6PX -0.32096 0.25479 -0.02833 0.13889 -0.03014 55 6PY 0.69032 0.11285 -0.10063 -0.23692 -0.03730 56 6PZ -0.42302 0.08552 0.28788 0.06851 -0.01139 57 7D 0 0.09690 0.00830 -0.06787 0.09886 0.03680 58 7D+1 0.05154 0.07514 -0.04071 0.09469 0.08763 59 7D-1 -0.13574 0.06394 0.07418 -0.22043 0.02724 60 7D+2 -0.04010 0.02556 0.07066 0.01236 -0.02573 61 7D-2 -0.03944 0.00024 0.10650 0.06956 0.00594 62 8D 0 -0.16060 -0.00361 0.11136 -0.13532 -0.05843 63 8D+1 -0.09149 -0.07581 0.05819 -0.13637 -0.15044 64 8D-1 0.23726 -0.08150 -0.12481 0.32140 -0.04899 65 8D+2 0.06551 -0.01521 -0.10121 -0.01543 0.03315 66 8D-2 0.05999 -0.01379 -0.13977 -0.10064 -0.00130 67 4 Cu 1S 0.01286 0.02305 -0.01521 -0.04365 -0.03021 68 2S 0.03847 -0.01939 -0.03114 -0.06192 0.00279 69 3S -0.18979 -1.24389 -0.12907 0.81717 1.45215 70 4PX -0.00145 -0.01777 0.00024 -0.00162 0.00498 71 4PY -0.00382 -0.00734 -0.00381 0.00574 0.01126 72 4PZ 0.00129 0.00121 -0.00116 -0.00462 0.00193 73 5PX 0.16614 0.48589 -0.22792 0.00191 -0.43236 74 5PY 0.07934 0.35693 0.16589 -0.32806 -0.27267 75 5PZ 0.05089 0.06844 -0.15142 0.46820 0.03149 76 6PX 0.23163 0.02627 -0.11602 -0.02853 0.01026 77 6PY 0.07160 -0.29565 0.05562 -0.14195 -0.11386 78 6PZ 0.08054 0.04587 -0.12387 0.17390 -0.04402 79 7D 0 -0.06240 0.09051 0.02819 -0.00203 -0.07825 80 7D+1 -0.08874 0.06834 0.04805 0.09262 -0.07586 81 7D-1 -0.01849 0.07012 -0.07097 -0.06708 -0.06500 82 7D+2 0.01483 0.10267 -0.01655 0.06352 0.14607 83 7D-2 0.11754 -0.16962 -0.04361 0.01176 0.17934 84 8D 0 0.11095 -0.12540 -0.05031 0.00672 0.12066 85 8D+1 0.14337 -0.09461 -0.06763 -0.16009 0.11325 86 8D-1 0.00201 -0.11769 0.11584 0.07949 0.09607 87 8D+2 -0.02964 -0.13448 0.04241 -0.10812 -0.20404 88 8D-2 -0.18615 0.24351 0.06846 -0.01078 -0.27620 89 5 Cu 1S 0.12781 0.09542 -0.10526 -0.00009 -0.00231 90 2S 0.21651 0.13905 -0.15789 -0.05102 0.02279 91 3S -2.89940 -2.60076 2.64951 -0.91548 0.31643 92 4PX -0.00632 -0.00973 0.00933 -0.00588 0.00371 93 4PY 0.00452 0.00122 -0.00797 0.00262 0.00663 94 4PZ -0.00973 -0.00580 0.00456 -0.00967 0.00283 95 5PX 0.49011 0.71922 -0.52746 0.08518 -0.31771 96 5PY -0.28598 0.21753 0.27782 -0.20216 -0.23050 97 5PZ 0.63209 0.30986 -0.55834 0.38977 0.02696 98 6PX 0.45064 0.50113 -0.04570 -0.23325 -0.00087 99 6PY -0.51525 0.17693 -0.12835 0.05320 -0.00340 100 6PZ 0.29582 -0.01120 -0.41011 -0.03137 0.04971 101 7D 0 0.04461 -0.12645 0.02067 -0.06860 -0.03520 102 7D+1 0.01800 -0.05230 0.07386 -0.20494 0.11780 103 7D-1 -0.07298 0.05413 -0.02328 -0.00529 -0.04416 104 7D+2 -0.04063 -0.01726 0.02820 -0.10407 -0.00667 105 7D-2 -0.09571 0.05794 0.08275 0.13772 -0.05227 106 8D 0 -0.07374 0.19335 -0.02115 0.09737 0.03652 107 8D+1 -0.06338 0.05491 -0.08610 0.31747 -0.17888 108 8D-1 0.11750 -0.08181 0.02467 0.01296 0.07807 109 8D+2 0.04156 0.00306 -0.03306 0.16852 0.02458 110 8D-2 0.15365 -0.10609 -0.12309 -0.19577 0.08178 111 6 Cu 1S 0.00970 0.01094 0.06292 0.02279 -0.00043 112 2S 0.03805 0.01632 0.09259 0.00173 -0.00050 113 3S 4.23068 0.08231 -0.42453 -0.86060 0.02450 114 4PX 0.01052 -0.01897 0.00454 0.00829 0.00746 115 4PY -0.01442 -0.01229 -0.00164 -0.01238 0.00432 116 4PZ -0.02221 0.00050 0.01072 -0.02300 0.00003 117 5PX -0.31534 0.77835 -0.14517 0.22390 -0.26251 118 5PY 0.41380 0.49274 0.01798 -0.38996 -0.15536 119 5PZ 0.55344 -0.07790 -0.71055 0.38584 -0.00308 120 6PX -0.56344 -0.09609 -0.47408 0.27643 -0.35559 121 6PY 0.94914 0.19567 0.79895 -0.47721 -0.21251 122 6PZ -0.26976 -0.08335 -0.35763 0.48186 -0.01047 123 7D 0 -0.08109 0.00243 0.12220 -0.08275 -0.00119 124 7D+1 -0.00227 -0.16689 0.03604 0.00556 -0.00971 125 7D-1 0.03809 -0.10776 -0.00288 -0.00641 -0.00503 126 7D+2 0.00424 0.11666 0.01187 -0.03480 -0.01115 127 7D-2 0.01053 -0.03900 0.05767 -0.06661 0.00723 128 8D 0 0.14956 0.00130 -0.17319 0.14420 0.00101 129 8D+1 0.02105 0.26516 -0.07157 -0.02676 -0.00230 130 8D-1 -0.09131 0.17347 0.02539 0.03834 -0.00417 131 8D+2 0.00482 -0.15885 -0.01355 0.05207 0.05685 132 8D-2 0.01133 0.05206 -0.07328 0.09781 -0.03158 133 7 Cu 1S -0.15530 0.00530 0.06783 0.04988 -0.00032 134 2S -0.25162 0.00520 0.09095 0.06184 -0.00075 135 3S 5.01687 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0.12212 155 8 C 1S 0.02861 0.00737 0.03275 -0.02891 -0.00015 156 2S 0.23554 0.00818 -0.00261 0.22299 0.00419 157 3S -0.13852 -0.00520 0.00914 -0.50986 -0.00378 158 4PX -0.27712 -0.00058 -0.18653 -0.03873 0.04701 159 4PY 0.45093 0.09496 0.29583 0.06222 0.02802 160 4PZ 0.04315 0.00204 0.00546 0.04181 0.00108 161 5PX 0.21321 -0.32865 0.40449 0.06077 -0.35726 162 5PY -0.31412 -0.36478 -0.56503 -0.10083 -0.21589 163 5PZ 0.08265 0.06015 0.40021 0.00710 -0.01156 164 9 O 1S -0.00413 0.00016 0.00120 0.00133 0.00005 165 2S 0.05749 0.00730 0.02679 -0.04741 0.00003 166 3S -0.03607 -0.03238 -0.15739 0.13767 0.00003 167 4PX -0.29624 -0.44759 -0.15348 0.09755 -0.38528 168 4PY 0.52775 -0.16161 0.34731 -0.16819 -0.23342 169 4PZ 0.08130 0.09647 0.62985 0.15139 -0.01302 170 5PX 0.25343 0.69233 0.07467 -0.18591 0.65600 171 5PY -0.48302 0.32962 -0.27977 0.31804 0.39555 172 5PZ -0.10914 -0.14783 -0.97746 -0.23909 0.02197 136 137 138 139 140 V V V V V EIGENVALUES -- 0.74730 0.79497 0.80285 0.85442 0.85962 1 1 Cu 1S 0.00714 0.01923 -0.01178 0.02824 0.05021 2 2S -0.02693 0.03774 -0.02759 0.02688 0.09059 3 3S -0.29487 -0.55796 0.14145 -1.48559 -1.11317 4 4PX 0.00402 0.00174 0.00117 0.01564 0.00879 5 4PY -0.00673 0.00341 -0.00214 -0.00135 0.00828 6 4PZ -0.00853 -0.00334 0.00317 -0.00716 0.00964 7 5PX 0.10498 -0.10114 0.15996 -0.07070 0.03048 8 5PY -0.23858 0.07885 -0.03729 -0.09265 -0.18517 9 5PZ 0.06290 0.25621 -0.06504 0.34543 0.18794 10 6PX -0.02953 0.12722 0.00626 -0.17524 -0.00713 11 6PY -0.15088 -0.07509 -0.00366 -0.07098 -0.26832 12 6PZ -0.06198 -0.06486 0.18312 0.26501 0.11487 13 7D 0 0.00988 0.05344 -0.13866 -0.05852 -0.16191 14 7D+1 -0.13272 -0.04381 0.01166 -0.02937 0.04463 15 7D-1 0.09175 -0.08625 -0.02009 -0.00316 -0.09199 16 7D+2 0.01404 0.17314 -0.05353 -0.00177 0.09734 17 7D-2 -0.09726 -0.00419 -0.07836 0.06359 0.04976 18 8D 0 -0.00393 -0.08995 0.22564 0.08587 0.26060 19 8D+1 0.18449 0.07709 -0.02591 0.03977 -0.08765 20 8D-1 -0.13011 0.14369 0.04643 0.01700 0.19816 21 8D+2 -0.00725 -0.28763 0.08506 0.01737 -0.17449 22 8D-2 0.15165 0.01727 0.14077 -0.08622 -0.07095 23 2 Cu 1S 0.01916 -0.01451 -0.03881 -0.03019 -0.09378 24 2S 0.02983 -0.02783 -0.06116 -0.07967 -0.14127 25 3S -0.02461 0.17921 1.21610 -0.14677 2.77481 26 4PX 0.00019 -0.00263 -0.01018 0.00945 -0.00876 27 4PY 0.00191 -0.00273 -0.00054 -0.00282 -0.00178 28 4PZ -0.00600 0.00449 0.00005 -0.01033 -0.00923 29 5PX 0.02271 0.07389 0.40241 -0.08384 0.53686 30 5PY -0.23287 -0.06969 -0.06013 0.04163 0.19321 31 5PZ 0.00837 0.12685 -0.05388 0.07076 0.17614 32 6PX -0.00935 -0.06719 -0.04446 -0.08056 0.51728 33 6PY 0.06762 -0.02658 0.22041 0.05327 0.20692 34 6PZ -0.06972 0.12472 0.15414 -0.03379 0.19899 35 7D 0 -0.07245 -0.07481 0.09790 -0.03049 -0.01262 36 7D+1 0.01573 0.09017 0.01027 -0.05076 -0.15027 37 7D-1 0.16002 0.00769 0.15714 0.13870 0.04023 38 7D+2 -0.01304 -0.11826 -0.08877 0.02007 0.05472 39 7D-2 -0.03873 -0.02044 0.02600 -0.01674 -0.10585 40 8D 0 0.11235 0.14323 -0.16819 0.04734 0.00606 41 8D+1 -0.02791 -0.13299 -0.01167 0.09057 0.26967 42 8D-1 -0.24641 -0.00651 -0.26019 -0.25630 -0.09200 43 8D+2 0.02783 0.20028 0.14960 -0.02738 -0.07998 44 8D-2 0.04693 0.02750 -0.03999 0.03764 0.20519 45 3 Cu 1S 0.02928 -0.04147 0.00452 0.04539 0.09555 46 2S 0.06300 -0.06049 0.00621 0.04382 0.16252 47 3S 0.00139 1.36870 -0.17288 -1.94806 -2.24051 48 4PX -0.00123 -0.00421 0.00792 0.00495 0.00095 49 4PY 0.00113 0.01114 0.00278 -0.01334 0.00594 50 4PZ -0.00252 -0.00472 0.00162 0.00106 0.01304 51 5PX 0.07570 0.18092 0.11586 -0.12012 -0.04945 52 5PY -0.09414 -0.35405 0.11782 0.28450 0.25125 53 5PZ -0.06765 0.22756 -0.00416 -0.28047 -0.40834 54 6PX -0.00692 -0.09068 0.10924 -0.06185 -0.05813 55 6PY -0.00459 0.13854 0.03964 0.20623 0.26507 56 6PZ -0.00032 0.24072 -0.01951 -0.46746 -0.34536 57 7D 0 0.15327 0.14759 -0.02414 0.07433 0.08777 58 7D+1 -0.04856 -0.07842 -0.02989 -0.00925 0.04910 59 7D-1 -0.00995 0.08933 -0.05195 -0.04880 -0.06482 60 7D+2 -0.06259 0.04790 0.12979 -0.03667 0.11974 61 7D-2 -0.09947 0.01635 -0.07945 -0.03715 0.12622 62 8D 0 -0.24319 -0.22985 0.04584 -0.13651 -0.13933 63 8D+1 0.07400 0.13398 0.07851 0.00894 -0.09731 64 8D-1 0.01839 -0.15258 0.10183 0.09563 0.14984 65 8D+2 0.09161 -0.07664 -0.20956 0.06259 -0.20577 66 8D-2 0.14599 -0.02433 0.12347 0.06428 -0.23143 67 4 Cu 1S 0.01728 -0.00713 0.03794 -0.03854 -0.05658 68 2S 0.02167 -0.01694 0.06252 -0.09283 -0.08361 69 3S -0.06733 -0.08608 -1.10479 0.04422 1.83050 70 4PX -0.00034 0.00133 -0.00647 0.00054 0.00110 71 4PY 0.00032 -0.00136 -0.00662 -0.00924 0.00927 72 4PZ -0.00631 0.00405 -0.00299 -0.00920 -0.01230 73 5PX 0.19874 0.02735 0.12481 -0.02251 -0.35482 74 5PY -0.14451 -0.03470 0.35645 0.05974 -0.19641 75 5PZ 0.02478 0.13483 0.10494 0.11478 -0.05865 76 6PX -0.02952 0.07419 0.15068 -0.05071 -0.35876 77 6PY 0.05996 0.00631 -0.15814 0.08184 -0.19980 78 6PZ -0.08501 0.10705 -0.15141 0.00682 0.05222 79 7D 0 -0.09798 -0.11084 -0.04024 -0.02239 0.04509 80 7D+1 -0.11229 -0.00059 0.16361 -0.09182 0.04537 81 7D-1 0.09130 -0.07984 -0.02901 0.11967 0.18826 82 7D+2 -0.01859 0.00940 -0.09434 -0.01101 -0.03369 83 7D-2 -0.04147 -0.08463 0.08714 -0.01001 0.01222 84 8D 0 0.15258 0.19573 0.07085 0.03653 -0.09773 85 8D+1 0.17172 -0.01753 -0.26650 0.16979 -0.04715 86 8D-1 -0.13586 0.12268 0.05188 -0.22381 -0.32020 87 8D+2 0.01190 -0.02052 0.15827 0.01684 0.08189 88 8D-2 0.06561 0.14502 -0.14891 0.03086 -0.01001 89 5 Cu 1S 0.00444 0.01969 0.00684 0.04976 -0.00643 90 2S -0.03472 0.04088 0.01782 0.06506 -0.00482 91 3S -0.26582 -0.49894 -0.04628 -1.96327 0.36695 92 4PX 0.00523 -0.00315 -0.00035 -0.00613 -0.01030 93 4PY -0.00740 0.00099 0.00197 -0.01200 -0.00827 94 4PZ -0.00890 -0.00374 -0.00202 -0.01134 0.01035 95 5PX 0.13567 -0.05784 0.04315 0.12533 -0.13955 96 5PY -0.20841 0.12709 0.13028 -0.02185 -0.13441 97 5PZ 0.05671 0.25883 0.04703 0.42075 0.00275 98 6PX 0.15204 -0.00418 0.02662 0.16532 -0.01281 99 6PY -0.09309 -0.12058 0.04750 0.05965 -0.04428 100 6PZ -0.04633 -0.11984 -0.15620 0.37184 -0.08516 101 7D 0 0.04394 0.10616 0.11447 -0.03558 -0.13534 102 7D+1 -0.03721 0.06376 -0.04814 0.06389 0.09216 103 7D-1 0.15767 0.02152 0.00667 -0.00695 0.09322 104 7D+2 -0.07402 -0.07263 0.07017 0.05573 -0.03815 105 7D-2 -0.04356 0.16263 0.05630 0.04044 0.07609 106 8D 0 -0.05062 -0.17756 -0.18647 0.05303 0.21134 107 8D+1 0.05543 -0.10456 0.08413 -0.10918 -0.16048 108 8D-1 -0.22000 -0.04070 -0.02232 0.03354 -0.13515 109 8D+2 0.11112 0.12845 -0.13059 -0.08345 0.10501 110 8D-2 0.07690 -0.26415 -0.09282 -0.05561 -0.11859 111 6 Cu 1S 0.05036 -0.03503 0.00041 -0.10442 0.02501 112 2S 0.15481 -0.05554 0.00094 -0.18023 0.04755 113 3S -1.86585 0.82593 -0.01844 4.44470 -1.13935 114 4PX -0.03520 -0.00132 -0.02248 0.01226 -0.00272 115 4PY 0.05622 0.00367 -0.01350 -0.01996 0.00497 116 4PZ 0.03906 -0.02877 -0.00080 -0.01040 0.00082 117 5PX 0.09152 0.31711 0.93650 0.43545 -0.14818 118 5PY -0.14420 -0.57440 0.56385 -0.68586 0.22604 119 5PZ -0.24968 0.87964 0.03106 -0.38777 0.17982 120 6PX 0.08715 -0.15793 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-0.27109 0.08362 160 4PZ -0.12158 -0.00256 0.00110 -0.11298 0.02441 161 5PX -0.08955 -0.09893 -0.78754 0.15957 -0.02886 162 5PY 0.11712 0.21070 -0.47768 -0.27514 0.11671 163 5PZ 0.60946 -0.75642 -0.02671 0.06327 -0.07409 164 9 O 1S -0.00992 -0.00574 -0.00002 0.01018 -0.00450 165 2S 0.02669 0.07935 -0.00008 0.02743 0.00770 166 3S -0.07945 0.00081 -0.00031 0.07801 -0.03345 167 4PX -0.01152 -0.06946 -0.38018 0.16207 -0.03848 168 4PY 0.00292 0.13483 -0.22933 -0.28240 0.11602 169 4PZ 0.32876 -0.29493 -0.01276 0.19555 -0.08599 170 5PX -0.06904 0.17547 0.79315 -0.04250 -0.00892 171 5PY 0.14257 -0.33250 0.48039 0.10056 -0.09455 172 5PZ -0.58788 0.64314 0.02693 -0.39513 0.18449 141 142 143 144 145 V V V V V EIGENVALUES -- 0.86169 0.86747 0.87056 0.87939 0.88075 1 1 Cu 1S -0.10118 0.10552 0.06370 -0.04978 0.04102 2 2S -0.16419 0.17836 0.10007 -0.06413 0.03321 3 3S 2.78445 -2.48131 -1.30875 0.92404 -1.19183 4 4PX 0.00477 0.00061 0.01526 0.00443 0.00597 5 4PY -0.00977 -0.00048 0.00383 -0.00833 0.00453 6 4PZ 0.00898 -0.01374 0.00409 0.00567 -0.00918 7 5PX 0.30881 -0.22192 -0.02731 0.10284 -0.25434 8 5PY 0.42652 -0.35837 -0.21935 0.20348 -0.21415 9 5PZ -0.26936 0.30704 0.27788 -0.23589 0.23863 10 6PX 0.15374 -0.34319 0.09233 0.39194 0.28711 11 6PY 0.45747 -0.31763 -0.08855 -0.10479 0.19276 12 6PZ -0.36170 0.22254 0.16949 0.31251 0.22794 13 7D 0 -0.04031 0.05972 0.06369 0.06817 0.04119 14 7D+1 -0.19556 -0.02273 -0.06799 0.14592 -0.15827 15 7D-1 0.13157 -0.12305 0.06059 -0.11826 -0.00368 16 7D+2 0.05593 0.13720 -0.01467 0.10969 -0.11989 17 7D-2 -0.07644 0.05767 0.11237 -0.02866 -0.19971 18 8D 0 0.05894 -0.08464 -0.13576 -0.10611 -0.04998 19 8D+1 0.34006 0.02594 0.09945 -0.25712 0.29016 20 8D-1 -0.24352 0.24002 -0.08468 0.20460 -0.00432 21 8D+2 -0.08214 -0.23510 0.04042 -0.19573 0.20473 22 8D-2 0.18077 -0.12273 -0.18978 0.04438 0.34478 23 2 Cu 1S 0.05432 -0.03420 -0.10015 -0.07366 -0.00746 24 2S 0.08884 -0.06967 -0.16583 -0.08728 -0.01260 25 3S -1.23609 0.83585 2.43391 1.75097 -0.33809 26 4PX 0.00320 -0.00267 -0.01062 -0.01419 0.00219 27 4PY 0.01479 -0.00504 0.00634 0.00172 -0.01127 28 4PZ -0.00895 0.01099 -0.00176 -0.00432 0.00238 29 5PX -0.21953 0.08174 0.48039 0.56880 0.02058 30 5PY 0.03028 -0.04967 0.20897 0.05350 -0.00768 31 5PZ -0.24612 0.14315 0.06726 0.13959 0.00528 32 6PX -0.20659 0.29478 0.45180 -0.00063 -0.26499 33 6PY -0.00573 -0.01942 -0.05738 0.03626 -0.45284 34 6PZ -0.08081 0.08727 0.30125 -0.27008 0.29498 35 7D 0 0.03454 0.14293 -0.06955 0.13707 -0.03351 36 7D+1 -0.09290 -0.00623 -0.07239 0.08064 -0.06440 37 7D-1 0.01890 0.17119 0.12096 -0.20663 -0.11842 38 7D+2 0.03456 0.02525 -0.15310 -0.04398 0.01525 39 7D-2 0.15328 -0.05034 0.04453 0.08927 0.11283 40 8D 0 -0.08842 -0.24134 0.11459 -0.24278 0.05034 41 8D+1 0.12427 0.05133 0.12536 -0.13000 0.10267 42 8D-1 -0.01866 -0.31034 -0.22261 0.36598 0.21269 43 8D+2 -0.08083 -0.04601 0.27355 0.07613 -0.02420 44 8D-2 -0.24434 0.07699 -0.02840 -0.15843 -0.20303 45 3 Cu 1S 0.02245 -0.00352 0.08341 0.01198 -0.11162 46 2S 0.03985 -0.01000 0.15990 0.01591 -0.15777 47 3S -0.46199 0.05061 -1.95048 -0.31388 2.45904 48 4PX -0.01749 0.00992 0.00335 0.00736 -0.00348 49 4PY -0.00674 0.00461 -0.00512 0.00156 0.01089 50 4PZ 0.00132 0.00133 -0.00079 0.00164 -0.01150 51 5PX -0.13592 0.14149 -0.04686 -0.06008 0.20809 52 5PY -0.01763 0.08279 0.17163 0.04006 -0.50762 53 5PZ -0.10300 0.01689 -0.25164 -0.06419 0.52956 54 6PX -0.12773 -0.09425 -0.18103 0.50892 0.14679 55 6PY -0.00416 -0.08399 0.36807 0.30105 -0.13545 56 6PZ -0.06918 0.00463 -0.41683 0.05541 -0.08457 57 7D 0 0.01465 0.05497 -0.15203 -0.02569 0.00008 58 7D+1 -0.02783 0.16758 0.16583 -0.10808 0.03078 59 7D-1 -0.01199 0.11792 -0.16975 -0.04404 -0.02429 60 7D+2 -0.10244 -0.06523 0.06595 -0.10097 0.10710 61 7D-2 0.12481 -0.01326 0.14564 0.05519 0.19195 62 8D 0 -0.02907 -0.09138 0.25629 0.04063 0.00663 63 8D+1 0.00663 -0.26657 -0.30449 0.17399 -0.04761 64 8D-1 0.01138 -0.19968 0.32603 0.07226 0.02565 65 8D+2 0.16620 0.14660 -0.12431 0.16982 -0.18773 66 8D-2 -0.20570 0.00009 -0.28016 -0.09143 -0.33343 67 4 Cu 1S -0.08711 0.04989 -0.10003 0.06857 0.00823 68 2S -0.13309 0.09166 -0.16242 0.07829 0.00617 69 3S 2.39636 -1.30648 2.39788 -1.56005 -0.73831 70 4PX 0.01443 -0.00415 0.00099 -0.00838 0.00597 71 4PY -0.00126 -0.00128 0.01296 -0.01076 -0.01136 72 4PZ 0.00699 -0.01249 -0.00247 0.00093 0.00288 73 5PX -0.35058 0.12513 -0.46034 0.35389 0.07612 74 5PY -0.36149 0.16902 -0.28843 0.42494 0.08022 75 5PZ 0.20450 -0.11236 -0.05711 -0.02595 -0.00630 76 6PX -0.35418 0.19134 -0.23254 -0.11747 0.44883 77 6PY -0.30604 0.34871 -0.37398 -0.04719 -0.05988 78 6PZ 0.06450 -0.09969 0.19816 0.19081 0.43072 79 7D 0 -0.04317 -0.09773 -0.07570 -0.14406 -0.02380 80 7D+1 -0.02750 0.16818 0.00379 -0.13413 0.14360 81 7D-1 -0.00901 -0.09338 0.07723 0.21505 0.02805 82 7D+2 -0.17345 -0.00429 0.11745 -0.06304 0.05354 83 7D-2 -0.06858 0.01745 -0.14312 -0.03450 0.03590 84 8D 0 0.08478 0.17510 0.13048 0.26013 0.03835 85 8D+1 0.03799 -0.28075 0.01664 0.24351 -0.24678 86 8D-1 -0.02316 0.20068 -0.13376 -0.37415 -0.03409 87 8D+2 0.28084 0.00935 -0.16398 0.11308 -0.09901 88 8D-2 0.14583 -0.03655 0.27302 0.06244 -0.06456 89 5 Cu 1S 0.10747 -0.11446 0.04429 0.04225 0.04832 90 2S 0.18175 -0.19314 0.06806 0.05612 0.04308 91 3S -2.76081 2.57442 -0.88727 -0.79205 -1.27258 92 4PX -0.00912 -0.00044 -0.01248 -0.00263 -0.00601 93 4PY 0.00911 0.00020 -0.01095 0.00781 0.00074 94 4PZ -0.00299 0.01210 0.00329 -0.00443 -0.01062 95 5PX 0.43385 -0.38004 0.08172 0.12973 0.28850 96 5PY -0.07695 0.06807 -0.11909 -0.07124 0.05308 97 5PZ 0.37178 -0.40247 0.22388 0.23048 0.33195 98 6PX 0.43402 -0.37032 -0.08218 0.25253 -0.32217 99 6PY -0.22315 -0.03075 -0.17468 0.43213 -0.06796 100 6PZ 0.39957 -0.30943 0.13310 -0.24632 0.08647 101 7D 0 -0.07077 -0.10354 0.05756 -0.04719 0.06400 102 7D+1 0.05631 -0.09923 -0.02787 -0.00254 0.02258 103 7D-1 -0.24039 0.01629 0.06127 0.15021 0.12151 104 7D+2 0.04780 0.01484 0.11855 0.12003 -0.11684 105 7D-2 0.07837 -0.13526 -0.00546 -0.08029 -0.23916 106 8D 0 0.11777 0.16547 -0.12235 0.06608 -0.09778 107 8D+1 -0.12764 0.19693 0.05435 0.00958 -0.04415 108 8D-1 0.43467 -0.05447 -0.07731 -0.25422 -0.23372 109 8D+2 -0.10279 -0.00984 -0.20114 -0.20529 0.20148 110 8D-2 -0.16688 0.24272 0.02069 0.14775 0.41660 111 6 Cu 1S 0.00975 -0.00389 0.00732 -0.00022 -0.01680 112 2S 0.01861 -0.00783 0.01918 -0.00066 -0.01896 113 3S -0.48136 0.21615 -0.40494 -0.00239 0.87889 114 4PX -0.00136 0.00500 -0.00181 -0.01919 -0.00720 115 4PY 0.00149 0.00078 0.00658 -0.01161 0.01231 116 4PZ -0.00002 0.00117 -0.00457 -0.00084 -0.01424 117 5PX -0.07506 -0.21419 -0.02595 0.94601 0.52635 118 5PY 0.10789 -0.13082 -0.14787 0.55701 -0.88747 119 5PZ 0.08046 -0.09944 0.34124 0.03360 0.58072 120 6PX -0.05121 0.08388 0.01021 0.31622 0.09190 121 6PY -0.01814 0.04102 0.01812 0.19281 -0.18023 122 6PZ -0.09904 0.05444 -0.09315 0.01067 0.48259 123 7D 0 -0.07686 -0.02661 0.07242 -0.00093 0.07596 124 7D+1 -0.20658 -0.08980 -0.02289 0.00862 -0.02402 125 7D-1 -0.04147 -0.04907 -0.01995 0.01270 0.03158 126 7D+2 -0.08701 -0.02733 -0.01878 -0.13471 0.05041 127 7D-2 0.13084 0.03542 -0.02397 0.07408 0.10104 128 8D 0 0.14670 0.03512 -0.08861 0.00411 -0.11860 129 8D+1 0.39720 0.12384 0.04343 0.00468 0.01267 130 8D-1 0.06389 0.07805 0.00605 -0.01033 -0.00511 131 8D+2 0.18098 0.03627 0.02709 0.21238 -0.09182 132 8D-2 -0.23974 -0.05723 0.03979 -0.12035 -0.19041 133 7 Cu 1S 0.00614 -0.00288 0.00770 -0.00006 -0.00242 134 2S 0.00188 -0.00110 0.00391 -0.00022 0.01207 135 3S -0.37338 0.16372 -0.38137 -0.00344 0.53472 136 4PX 0.00407 -0.00105 0.00087 0.00025 -0.00158 137 4PY -0.00033 0.00022 -0.00157 0.00003 0.00270 138 4PZ -0.00056 0.00076 -0.00197 0.00006 0.00204 139 5PX -0.15082 -0.09564 -0.02732 0.48912 0.25335 140 5PY 0.03670 -0.07099 -0.05868 0.29256 -0.43023 141 5PZ 0.04141 -0.07033 0.23714 0.01897 0.31658 142 6PX 0.09291 -0.03658 -0.03457 -0.19595 -0.03174 143 6PY 0.08333 -0.04142 0.04190 -0.11904 0.07439 144 6PZ 0.09224 -0.02694 0.03039 -0.00586 -0.30533 145 7D 0 0.01981 0.05322 -0.14695 -0.00141 0.04780 146 7D+1 0.01972 0.21136 -0.00381 0.04258 0.05084 147 7D-1 0.01937 0.07724 0.13957 0.02677 -0.10006 148 7D+2 -0.01892 0.11775 0.10586 0.06402 -0.03377 149 7D-2 -0.02225 -0.11513 0.10894 -0.02986 -0.05038 150 8D 0 -0.01897 -0.09077 0.24923 0.00178 -0.13045 151 8D+1 0.01043 -0.37236 0.01595 -0.09818 -0.08678 152 8D-1 -0.02299 -0.13080 -0.26081 -0.06386 0.17694 153 8D+2 0.04523 -0.21859 -0.20117 -0.06936 0.04618 154 8D-2 0.01950 0.21180 -0.20588 0.02884 0.06035 155 8 C 1S 0.00626 -0.00303 0.00811 0.00006 0.00062 156 2S -0.17982 0.07466 -0.14984 0.00370 0.38641 157 3S 0.37707 -0.15079 0.28231 -0.00968 -0.99768 158 4PX -0.02106 0.00535 -0.01146 0.00367 0.06105 159 4PY 0.03584 -0.01283 0.01925 0.00131 -0.09739 160 4PZ 0.01278 -0.00386 -0.00111 -0.00027 -0.06462 161 5PX -0.09175 0.12747 -0.01362 -0.45922 -0.04805 162 5PY 0.00524 0.04001 0.10988 -0.27907 0.08925 163 5PZ -0.04353 0.03990 -0.12993 -0.02165 -0.32666 164 9 O 1S -0.00203 0.00109 -0.00364 -0.00007 -0.00445 165 2S 0.00507 -0.00471 0.02141 0.00097 0.05525 166 3S -0.01782 0.00781 -0.01419 -0.00028 0.06842 167 4PX -0.07928 0.08131 -0.01142 -0.10299 0.02206 168 4PY 0.01496 0.02084 0.06246 -0.06188 -0.04149 169 4PZ -0.04599 0.03056 -0.07441 -0.00590 0.01781 170 5PX 0.12427 -0.15208 -0.00669 0.28807 0.01918 171 5PY 0.02896 -0.06507 -0.08323 0.17260 -0.02519 172 5PZ 0.09697 -0.06371 0.16453 0.01524 0.04745 146 147 148 149 150 V V V V V EIGENVALUES -- 0.97843 0.97913 0.98758 1.04296 1.04403 1 1 Cu 1S -0.01265 -0.00184 -0.00898 -0.04330 -0.13053 2 2S -0.02729 -0.01113 -0.03442 -0.10047 -0.28333 3 3S 0.14589 0.01488 0.08403 0.37034 1.42007 4 4PX -0.00673 0.00640 -0.00505 0.00668 -0.00586 5 4PY 0.01056 -0.01091 0.00891 -0.00311 -0.01128 6 4PZ 0.00889 -0.01072 0.00348 0.00551 0.00433 7 5PX 0.06088 -0.19309 -0.35933 -0.04644 0.08314 8 5PY -0.04928 0.22065 0.32468 0.05154 0.19254 9 5PZ -0.05830 0.24919 0.38388 -0.03662 -0.12809 10 6PX -0.00092 -0.02747 -0.19777 -0.03078 0.11499 11 6PY 0.04133 0.02035 0.13699 0.10531 0.23299 12 6PZ 0.03262 -0.00002 0.12220 -0.07993 -0.16547 13 7D 0 0.10044 0.19434 0.04687 -0.05031 0.02145 14 7D+1 0.08212 -0.03397 -0.12287 -0.01444 0.06246 15 7D-1 0.10138 0.09416 -0.00666 0.11901 0.18108 16 7D+2 -0.13343 0.02032 0.11568 0.05735 0.07947 17 7D-2 0.11813 0.09303 -0.04830 0.02316 -0.15059 18 8D 0 -0.22026 -0.39432 -0.13218 0.09663 -0.03979 19 8D+1 -0.15632 0.06924 0.29064 0.03380 -0.10302 20 8D-1 -0.20716 -0.18903 0.02022 -0.24553 -0.38502 21 8D+2 0.25846 -0.03959 -0.28051 -0.10854 -0.14580 22 8D-2 -0.24245 -0.19575 0.08408 -0.03874 0.31810 23 2 Cu 1S -0.00373 0.00084 0.02586 0.11450 0.08345 24 2S -0.00763 -0.01374 0.01778 0.24763 0.17766 25 3S 0.09129 -0.13242 -0.67489 -1.26839 -0.97873 26 4PX -0.01001 -0.00097 0.00858 0.00999 0.00691 27 4PY 0.01561 0.00798 0.00417 0.00742 -0.00225 28 4PZ 0.01350 0.00617 0.00230 0.00105 0.00847 29 5PX 0.08284 -0.20329 -0.63700 -0.20040 -0.15586 30 5PY -0.08915 0.11910 0.43934 -0.11206 -0.01017 31 5PZ -0.08981 0.08069 0.24023 -0.02348 -0.11140 32 6PX -0.04110 -0.03131 -0.09946 -0.25120 -0.18056 33 6PY 0.05230 0.05165 0.09576 -0.11689 0.03187 34 6PZ 0.03417 0.00457 -0.08792 -0.04716 -0.08687 35 7D 0 -0.06037 0.18178 -0.15533 -0.09379 0.00020 36 7D+1 0.08316 -0.12013 -0.03090 0.08143 0.14848 37 7D-1 0.02460 0.02568 -0.06832 0.01756 0.00503 38 7D+2 -0.10301 0.16258 0.08599 0.12231 0.09580 39 7D-2 0.01770 0.02724 -0.14475 0.15170 0.01250 40 8D 0 0.13477 -0.35916 0.34113 0.18693 -0.00231 41 8D+1 -0.15716 0.25455 0.07075 -0.17376 -0.30426 42 8D-1 -0.03778 -0.03887 0.16038 -0.00774 0.00827 43 8D+2 0.19143 -0.35790 -0.22081 -0.24871 -0.19325 44 8D-2 -0.01832 -0.04045 0.32309 -0.31786 -0.03784 45 3 Cu 1S -0.00006 0.00648 0.03555 -0.15196 0.00597 46 2S -0.00106 -0.00025 0.03350 -0.32279 0.01221 47 3S -0.01361 -0.09869 -0.80741 1.76428 -0.07529 48 4PX 0.00048 -0.00994 0.00428 -0.00222 0.00802 49 4PY -0.00135 0.01478 -0.01012 0.00781 0.00386 50 4PZ -0.00076 0.01703 0.00697 -0.01305 0.00147 51 5PX 0.00764 -0.07796 -0.43399 0.05388 -0.08489 52 5PY 0.03171 0.14733 0.77892 -0.17412 -0.03600 53 5PZ 0.00937 -0.02107 0.10623 0.27634 -0.02356 54 6PX 0.01479 -0.03245 0.00311 0.08868 -0.07580 55 6PY 0.00187 0.04487 -0.01421 -0.22794 -0.02702 56 6PZ -0.00078 0.02994 -0.10125 0.23570 -0.01382 57 7D 0 0.02423 0.01848 -0.17579 -0.12650 0.02220 58 7D+1 0.14657 0.00453 0.05113 -0.08116 0.09176 59 7D-1 0.10641 0.00420 -0.07303 0.21837 0.03154 60 7D+2 -0.22508 -0.02122 -0.08265 0.04463 0.04836 61 7D-2 0.12373 -0.00693 -0.12484 0.01675 -0.04607 62 8D 0 -0.05063 0.00540 0.39444 0.25037 -0.04439 63 8D+1 -0.29887 -0.02416 -0.12229 0.17891 -0.18324 64 8D-1 -0.21732 0.00842 0.17497 -0.46001 -0.06201 65 8D+2 0.46090 0.06154 0.18919 -0.07489 -0.09561 66 8D-2 -0.25417 0.03686 0.28025 -0.00698 0.08976 67 4 Cu 1S 0.00631 -0.00195 0.02068 0.10803 -0.08945 68 2S 0.01229 -0.01888 0.00962 0.23455 -0.19042 69 3S -0.11872 -0.09694 -0.57657 -1.17995 1.04959 70 4PX 0.01004 -0.00574 -0.00849 -0.01145 0.00419 71 4PY -0.01630 0.00314 -0.00286 -0.00323 0.00804 72 4PZ -0.01404 0.00368 0.00092 -0.00181 -0.00716 73 5PX -0.05160 -0.01827 -0.08079 0.19292 -0.12706 74 5PY 0.13847 0.23086 0.71255 0.08827 -0.13822 75 5PZ 0.10629 0.11390 0.29430 0.02817 0.06959 76 6PX 0.02699 -0.03011 -0.02980 0.23973 -0.10690 77 6PY -0.05519 0.05484 0.17577 0.12633 -0.17950 78 6PZ -0.04046 0.00568 -0.05978 0.00886 0.05239 79 7D 0 0.05436 0.21588 -0.12965 -0.10702 0.05024 80 7D+1 0.04844 -0.00360 0.08473 0.01238 0.07267 81 7D-1 0.05324 0.11989 0.02998 -0.01234 0.09207 82 7D+2 -0.06998 -0.03492 -0.17493 0.09948 0.01240 83 7D-2 0.05776 0.14172 0.00427 0.17011 -0.13278 84 8D 0 -0.11555 -0.43548 0.28075 0.21243 -0.09733 85 8D+1 -0.08254 -0.00685 -0.19633 -0.04293 -0.13067 86 8D-1 -0.09917 -0.25064 -0.06907 0.04694 -0.20105 87 8D+2 0.11753 0.09506 0.40571 -0.20430 -0.01697 88 8D-2 -0.11049 -0.30439 -0.03776 -0.35155 0.27460 89 5 Cu 1S 0.01033 -0.00114 -0.01527 -0.03577 0.13258 90 2S 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110 8D-2 -0.11439 -0.10967 -0.15325 -0.09343 0.03625 111 6 Cu 1S 0.00042 0.01211 0.01297 0.00500 -0.00141 112 2S 0.00794 0.18607 0.41749 0.01998 -0.00499 113 3S 0.09315 2.10233 5.91310 0.11228 -0.02302 114 4PX 0.01453 0.01338 0.02953 -0.00020 0.00070 115 4PY 0.00749 -0.02336 -0.04711 0.00079 0.00027 116 4PZ 0.00014 -0.00299 -0.05001 -0.00128 0.00010 117 5PX 0.04271 -0.56030 -1.48103 0.00710 -0.04124 118 5PY 0.07825 0.88389 2.36205 -0.04794 -0.01685 119 5PZ 0.03207 0.70102 1.60144 0.07701 -0.01457 120 6PX -0.04134 -0.05580 -0.09458 0.00525 -0.11083 121 6PY -0.01975 0.08947 0.13829 -0.07890 -0.04919 122 6PZ 0.00480 0.12818 0.51992 0.12464 -0.02893 123 7D 0 0.00949 0.14158 -0.04647 -0.10997 0.03368 124 7D+1 0.08987 -0.03853 0.02572 -0.01494 0.15740 125 7D-1 0.06162 0.04692 -0.03969 0.11544 0.06112 126 7D+2 -0.12596 0.03529 -0.00745 0.09925 0.10384 127 7D-2 0.06563 0.05383 -0.01180 0.11538 -0.09828 128 8D 0 -0.01834 -0.27503 0.08121 0.22078 -0.06814 129 8D+1 -0.17362 0.07613 -0.05605 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160 V V V V V EIGENVALUES -- 1.24953 1.24973 1.27945 1.28299 1.32907 1 1 Cu 1S -0.00083 -0.02824 -0.00135 -0.00029 0.02051 2 2S -0.00692 -0.07023 -0.00633 -0.00097 0.10239 3 3S -0.16193 -0.45005 0.00273 0.12442 0.74610 4 4PX -0.01410 0.01957 -0.00259 0.01333 0.01516 5 4PY 0.00069 0.00914 -0.00895 -0.02322 -0.00736 6 4PZ -0.01962 -0.01712 -0.01061 -0.01134 0.02110 7 5PX 0.02817 -0.28786 -0.03628 -0.23507 -0.19283 8 5PY -0.03954 -0.17230 0.15651 0.44988 0.46926 9 5PZ 0.19285 0.33292 0.13865 0.21703 -0.44719 10 6PX -0.05884 0.09950 0.02315 0.14435 0.56408 11 6PY -0.02655 -0.03540 -0.08980 -0.21899 -0.20711 12 6PZ -0.06586 -0.05885 -0.08245 -0.15580 0.25264 13 7D 0 0.05043 0.05905 0.06318 0.13272 -0.05797 14 7D+1 -0.06068 -0.26557 -0.01420 -0.03124 0.03597 15 7D-1 -0.03585 -0.05175 -0.01326 0.01106 0.07289 16 7D+2 -0.03355 -0.09664 0.07697 0.22090 0.12978 17 7D-2 -0.02317 0.03183 -0.01177 0.03170 0.07133 18 8D 0 -0.12127 -0.15028 -0.17398 -0.34690 0.15044 19 8D+1 0.15889 0.68259 0.03214 0.07974 -0.13796 20 8D-1 0.09246 0.12918 0.02574 -0.02784 -0.20000 21 8D+2 0.08398 0.25355 -0.19815 -0.59059 -0.40581 22 8D-2 0.05993 -0.07951 0.01842 -0.07982 -0.20872 23 2 Cu 1S -0.00254 0.02810 -0.00467 0.00006 0.03388 24 2S -0.01012 0.07003 -0.01225 -0.00755 0.15985 25 3S -0.18119 0.41064 -0.11388 -0.16398 1.21879 26 4PX 0.00788 -0.02622 -0.00711 -0.00173 -0.01699 27 4PY -0.01586 -0.00306 0.01577 0.01873 0.00513 28 4PZ 0.01620 0.00435 0.02138 0.00498 -0.01534 29 5PX -0.16369 0.46954 0.11932 0.02498 0.63143 30 5PY 0.08372 -0.00224 -0.36391 -0.28494 0.20255 31 5PZ -0.08985 -0.01542 -0.33892 -0.18720 0.51392 32 6PX 0.01244 -0.09179 -0.10702 -0.07032 0.07443 33 6PY -0.07527 0.03699 0.17632 0.12721 -0.08269 34 6PZ 0.05276 0.08971 0.17892 0.07927 -0.43373 35 7D 0 -0.02669 0.13269 0.06224 0.01282 0.00856 36 7D+1 0.03422 -0.00956 0.10364 0.05290 -0.09984 37 7D-1 0.06672 -0.17866 0.15035 0.10605 -0.12780 38 7D+2 0.06704 -0.18810 -0.08710 -0.05661 -0.05877 39 7D-2 -0.04555 0.03710 0.10396 0.08396 0.01008 40 8D 0 0.06636 -0.34403 -0.15326 -0.04686 -0.03643 41 8D+1 -0.08158 0.02503 -0.27435 -0.13790 0.28655 42 8D-1 -0.17474 0.46639 -0.39751 -0.28345 0.43239 43 8D+2 -0.17410 0.48220 0.23331 0.13918 0.17538 44 8D-2 0.10917 -0.09859 -0.27438 -0.22293 -0.02639 45 3 Cu 1S 0.02948 -0.01875 0.00381 0.00031 -0.00392 46 2S 0.07206 -0.04611 0.01671 -0.00073 -0.01819 47 3S 0.35581 -0.24263 0.20628 -0.02453 -0.14129 48 4PX 0.00415 0.02249 0.01136 -0.01024 0.02761 49 4PY 0.02256 -0.00225 -0.01692 -0.00437 0.01296 50 4PZ -0.01045 0.00981 -0.02472 0.00038 0.00481 51 5PX 0.06723 -0.19333 -0.22031 0.05028 -0.41025 52 5PY -0.32340 0.15278 0.29425 0.01034 -0.16900 53 5PZ 0.20867 -0.15273 0.47395 -0.02532 -0.12430 54 6PX -0.00641 0.08862 0.13764 -0.05741 0.60742 55 6PY 0.09976 -0.02560 -0.21559 -0.01562 0.34521 56 6PZ 0.02125 -0.00693 -0.19391 0.00249 0.09993 57 7D 0 -0.06890 0.05379 -0.26614 0.01073 0.03342 58 7D+1 0.01944 0.02966 0.06850 -0.02721 0.11138 59 7D-1 0.08724 -0.03975 -0.03538 -0.00977 0.04333 60 7D+2 0.14663 -0.07218 -0.03166 -0.00539 0.06935 61 7D-2 0.17248 -0.14500 -0.03593 0.00745 -0.07506 62 8D 0 0.17724 -0.13862 0.70143 -0.03151 -0.09784 63 8D+1 -0.05123 -0.07373 -0.18132 0.05731 -0.30718 64 8D-1 -0.22114 0.09981 0.09079 0.01711 -0.12128 65 8D+2 -0.37363 0.19372 0.08155 0.02433 -0.18660 66 8D-2 -0.44963 0.37063 0.09174 -0.02388 0.21139 67 4 Cu 1S -0.02445 -0.00699 -0.00434 0.00003 -0.03513 68 2S -0.06422 -0.01437 -0.00838 0.00714 -0.16690 69 3S -0.46489 0.01877 -0.06939 0.17124 -1.26266 70 4PX -0.01264 -0.01108 -0.01072 0.01635 -0.01104 71 4PY -0.02476 0.00825 0.01163 -0.01285 -0.01682 72 4PZ -0.00331 -0.01898 0.01989 -0.00583 0.00775 73 5PX 0.25110 0.05908 0.24997 -0.28505 0.68122 74 5PY 0.43060 -0.02545 -0.25314 0.19630 0.43188 75 5PZ 0.08139 0.11875 -0.29721 0.19272 -0.31407 76 6PX 0.01561 -0.04351 -0.10972 0.09288 -0.18742 77 6PY -0.09867 0.02047 0.15041 -0.13913 0.12296 78 6PZ -0.07308 -0.10019 0.16945 -0.10053 0.33338 79 7D 0 -0.16010 -0.01663 0.00457 0.02122 -0.06977 80 7D+1 -0.11974 0.02708 -0.15852 0.11735 -0.14076 81 7D-1 0.15563 0.03360 -0.02472 -0.00152 0.02972 82 7D+2 -0.08287 0.02044 0.14344 -0.13645 0.01713 83 7D-2 0.15830 0.01046 -0.02165 0.01492 0.07126 84 8D 0 0.41351 0.04842 0.00043 -0.04518 0.22316 85 8D+1 0.31191 -0.06586 0.41644 -0.31516 0.45690 86 8D-1 -0.40539 -0.08267 0.06448 0.00765 -0.12583 87 8D+2 0.20983 -0.04604 -0.37952 0.35941 -0.06221 88 8D-2 -0.40539 -0.02366 0.06131 -0.03000 -0.20944 89 5 Cu 1S 0.02917 0.01415 -0.00225 0.00185 -0.01465 90 2S 0.06827 0.03768 -0.00679 0.00604 -0.07512 91 3S 0.32628 0.30413 0.01151 -0.11327 -0.55555 92 4PX 0.01759 -0.00416 0.00923 -0.01469 0.01058 93 4PY 0.01366 -0.00951 0.00070 0.02281 0.02095 94 4PZ 0.01328 0.02301 -0.00734 0.01251 -0.01769 95 5PX -0.21332 -0.07859 -0.11466 0.29029 0.05820 96 5PY -0.12221 0.01105 0.05078 -0.43105 -0.47152 97 5PZ -0.29603 -0.30924 0.09912 -0.23391 0.38903 98 6PX 0.03555 -0.04856 0.05793 -0.13794 0.27375 99 6PY 0.10445 0.00565 -0.03576 0.23482 0.62622 100 6PZ 0.06000 0.07674 -0.05920 0.16713 -0.21155 101 7D 0 -0.11140 -0.11805 0.05045 -0.14527 0.07877 102 7D+1 -0.13335 -0.09508 -0.00222 0.02265 0.02078 103 7D-1 -0.13333 -0.06932 0.00086 -0.05269 -0.06591 104 7D+2 -0.05024 -0.00506 -0.03640 0.05020 -0.05089 105 7D-2 0.09949 0.09341 0.04216 -0.21585 -0.13293 106 8D 0 0.28733 0.29578 -0.13810 0.38049 -0.21767 107 8D+1 0.33797 0.24697 0.01577 -0.06081 -0.07158 108 8D-1 0.34300 0.18335 -0.00079 0.13836 0.16500 109 8D+2 0.12977 0.01225 0.08056 -0.13754 0.13716 110 8D-2 -0.26198 -0.24088 -0.11145 0.57609 0.41043 111 6 Cu 1S -0.00461 0.00198 0.00467 -0.00076 0.00013 112 2S -0.01617 0.00718 0.01128 -0.00191 -0.00013 113 3S 0.14268 -0.04199 -0.07946 0.01207 -0.01122 114 4PX 0.00051 -0.00074 -0.00065 -0.00056 -0.02098 115 4PY -0.00164 0.00011 0.00051 -0.00047 -0.01289 116 4PZ 0.00221 -0.00066 0.00029 0.00006 -0.00035 117 5PX -0.01655 0.02895 0.01643 -0.01625 0.95596 118 5PY 0.05145 0.00360 -0.02983 -0.00230 0.57650 119 5PZ -0.00748 0.00418 0.00381 -0.00912 0.01594 120 6PX -0.01409 -0.03357 0.00280 0.01600 0.22271 121 6PY -0.00628 -0.02468 -0.00945 0.00886 0.13110 122 6PZ 0.00729 0.00130 -0.00614 0.00634 0.01071 123 7D 0 0.13590 -0.04488 -0.09562 0.02911 -0.00375 124 7D+1 0.10534 0.14991 0.00106 0.11351 -0.09906 125 7D-1 -0.03636 0.12852 0.08080 0.04756 -0.06389 126 7D+2 -0.02933 0.16961 0.07485 0.05854 0.13671 127 7D-2 -0.19540 -0.00964 0.08773 -0.06195 -0.06788 128 8D 0 -0.37625 0.12493 0.27112 -0.08262 0.01081 129 8D+1 -0.29649 -0.41383 -0.00193 -0.32317 0.28607 130 8D-1 0.10832 -0.35932 -0.23106 -0.13503 0.18484 131 8D+2 0.07959 -0.46999 -0.21178 -0.16619 -0.39855 132 8D-2 0.53691 0.02848 -0.24743 0.17559 0.19755 133 7 Cu 1S 0.00630 -0.00179 -0.00719 0.00055 -0.00115 134 2S 0.01218 -0.00357 -0.01464 0.00097 -0.00243 135 3S -0.03501 0.00695 0.05161 -0.00637 0.00768 136 4PX -0.00056 0.00004 -0.00007 0.00069 -0.03628 137 4PY 0.00109 -0.00054 0.00059 0.00019 -0.02186 138 4PZ 0.00078 -0.00020 -0.00140 0.00022 -0.00127 139 5PX -0.00127 -0.00902 0.00162 -0.03140 1.51639 140 5PY -0.00905 -0.00125 -0.02377 -0.01243 0.91173 141 5PZ 0.01123 -0.00315 0.01885 -0.00577 0.05085 142 6PX -0.00266 0.01088 0.00477 -0.02465 -0.93307 143 6PY 0.01636 0.00239 -0.01874 -0.00819 -0.56199 144 6PZ 0.01680 -0.00589 -0.00235 -0.00548 -0.03512 145 7D 0 0.05647 -0.02406 0.17522 -0.05773 0.01046 146 7D+1 0.04922 0.04564 0.00407 -0.23286 0.17719 147 7D-1 -0.04419 0.05898 -0.15550 -0.09316 0.11655 148 7D+2 -0.01023 0.05527 -0.13425 -0.12586 -0.26586 149 7D-2 -0.05359 -0.00091 -0.15493 0.13203 0.13365 150 8D 0 -0.15423 0.06519 -0.48279 0.16083 -0.03005 151 8D+1 -0.13152 -0.12590 -0.01330 0.65185 -0.50566 152 8D-1 0.11499 -0.15906 0.43375 0.25991 -0.33265 153 8D+2 0.02912 -0.15334 0.37368 0.35435 0.76076 154 8D-2 0.15096 0.00218 0.43065 -0.37144 -0.38254 155 8 C 1S -0.00429 0.00161 0.00097 -0.00010 -0.00004 156 2S 0.04713 -0.01817 -0.02285 0.00540 0.00160 157 3S -0.03163 0.01367 -0.00494 -0.00224 -0.00626 158 4PX -0.01384 0.02818 0.00472 0.01312 0.06134 159 4PY 0.04052 -0.00026 0.00167 0.00636 0.03860 160 4PZ 0.03463 -0.01290 -0.01738 0.00362 0.00179 161 5PX 0.00358 0.00117 -0.00638 -0.02427 -0.17970 162 5PY -0.00328 0.00459 -0.00692 -0.01430 -0.11283 163 5PZ 0.01292 -0.00306 0.01612 -0.00494 -0.00543 164 9 O 1S 0.00042 -0.00021 0.00059 -0.00011 0.00003 165 2S -0.01094 0.00423 -0.01307 0.00283 -0.00074 166 3S 0.03134 -0.01110 0.01917 -0.00419 0.00145 167 4PX -0.00134 -0.00118 -0.00227 -0.00593 -0.01437 168 4PY 0.00225 -0.00163 -0.00303 -0.00368 -0.00873 169 4PZ -0.00403 0.00240 0.00818 -0.00097 -0.00024 170 5PX -0.01281 -0.00433 -0.00123 0.01609 0.04122 171 5PY 0.01159 -0.00938 0.01624 0.00577 0.02667 172 5PZ -0.00575 0.00018 -0.01258 0.00172 0.00115 161 162 163 164 165 V V V V V EIGENVALUES -- 1.33125 1.34158 1.34352 1.35271 1.64131 1 1 Cu 1S -0.00089 0.01221 0.00249 0.00466 -0.11268 2 2S -0.05997 0.04279 0.00755 -0.04395 -0.23277 3 3S -0.80430 0.10567 0.02016 -0.82171 -0.37988 4 4PX 0.01920 0.00320 -0.01264 0.01937 0.00620 5 4PY 0.00867 0.00045 -0.00112 0.00349 0.00478 6 4PZ 0.00303 0.00935 -0.00783 -0.00520 0.00014 7 5PX -0.23623 0.14602 1.36473 -0.64669 -0.25110 8 5PY -0.64371 -0.39440 0.06346 0.17826 -0.20691 9 5PZ -0.08261 -0.58980 0.86733 0.53881 0.05398 10 6PX 0.18645 0.00009 -2.33241 0.43718 0.25154 11 6PY 0.35712 0.28149 -0.11547 -0.20105 0.29456 12 6PZ 0.47269 0.50801 -1.52785 -0.09928 0.03131 13 7D 0 -0.11589 -0.11748 0.13609 0.07627 -0.01664 14 7D+1 -0.06003 0.10370 0.07778 -0.15834 -0.05542 15 7D-1 0.00812 0.03174 -0.09220 0.02889 0.00194 16 7D+2 -0.09159 -0.08482 -0.06898 0.07107 -0.01739 17 7D-2 0.05133 0.04100 -0.15471 0.05787 0.02204 18 8D 0 0.33850 0.36188 -0.42636 -0.23009 0.05845 19 8D+1 0.19292 -0.31256 -0.24407 0.48719 0.17652 20 8D-1 -0.02577 -0.08697 0.29008 -0.08057 -0.01210 21 8D+2 0.31423 0.25276 0.21532 -0.20355 0.06001 22 8D-2 -0.13547 -0.11558 0.48496 -0.15891 -0.06682 23 2 Cu 1S 0.02514 0.00578 -0.00488 0.01927 -0.31470 24 2S 0.08261 0.03963 -0.01113 0.05534 -0.64956 25 3S 0.37291 0.55693 0.02817 0.08936 0.40054 26 4PX -0.00736 -0.00934 0.00118 -0.00349 0.00464 27 4PY -0.01961 0.00573 0.01151 -0.01433 -0.00723 28 4PZ 0.01333 -0.00006 -0.01162 0.01098 0.00403 29 5PX 0.19619 0.61293 -0.10587 0.27066 -0.22862 30 5PY 0.49055 -0.56412 -1.14355 0.04686 0.01083 31 5PZ -0.00060 -0.47249 1.17031 -0.32133 -0.33248 32 6PX 0.00902 -0.30767 0.20922 -0.23252 0.12916 33 6PY -0.58347 0.34761 1.92424 -0.15930 -0.24289 34 6PZ 0.26178 0.41001 -2.03716 0.39428 0.22900 35 7D 0 0.03913 0.08013 -0.10660 0.10235 -0.00568 36 7D+1 0.03755 0.08834 -0.15515 0.06516 0.04585 37 7D-1 -0.07806 0.04454 0.00887 -0.00138 0.01947 38 7D+2 0.00308 -0.15381 -0.03703 -0.04407 0.03456 39 7D-2 -0.12358 0.12465 0.16878 -0.01875 -0.01961 40 8D 0 -0.11449 -0.25063 0.33302 -0.29573 0.00784 41 8D+1 -0.09443 -0.26781 0.48597 -0.19807 -0.15280 42 8D-1 0.24946 -0.13139 -0.02844 0.01506 -0.05406 43 8D+2 -0.01206 0.46177 0.11429 0.14362 -0.10140 44 8D-2 0.34357 -0.37678 -0.52613 0.03843 0.05696 45 3 Cu 1S 0.04952 0.00038 0.00074 0.01112 -0.38310 46 2S 0.18655 -0.00171 0.00157 0.07724 -0.78295 47 3S 1.02609 -0.08280 -0.00603 1.00692 0.93973 48 4PX -0.00030 0.00731 0.01546 -0.00215 0.00213 49 4PY 0.00910 0.00244 0.00814 0.01054 -0.00203 50 4PZ -0.01676 0.00077 0.00178 -0.00813 -0.00228 51 5PX -0.10032 -0.11602 -1.45912 0.41595 0.00798 52 5PY -0.07605 0.05958 -0.76383 -0.85223 0.00262 53 5PZ 0.92227 0.03686 -0.16803 -0.05161 -0.29994 54 6PX 0.27226 0.05323 2.47981 -0.18012 0.11828 55 6PY -0.31332 -0.03881 1.30752 0.41592 -0.14519 56 6PZ -0.42745 -0.04115 0.29055 0.19822 -0.06511 57 7D 0 -0.19339 -0.01151 0.03677 0.11167 0.02438 58 7D+1 0.03567 0.04733 0.19188 -0.02916 0.01262 59 7D-1 0.03236 0.01823 0.08320 0.07606 -0.03322 60 7D+2 0.02790 -0.02231 0.11166 0.11034 -0.01462 61 7D-2 0.02371 -0.01342 -0.10484 0.13939 -0.01985 62 8D 0 0.59908 0.03764 -0.11438 -0.33489 -0.07803 63 8D+1 -0.12302 -0.12887 -0.59667 0.08128 -0.04330 64 8D-1 -0.07847 -0.04625 -0.25847 -0.21840 0.10553 65 8D+2 -0.09830 0.05740 -0.34833 -0.34721 0.03475 66 8D-2 -0.10199 0.04541 0.32641 -0.44392 0.04604 67 4 Cu 1S 0.01925 -0.01210 0.00341 0.01897 -0.29129 68 2S 0.05578 -0.05486 0.00739 0.04136 -0.60190 69 3S 0.18959 -0.51281 -0.02745 -0.16134 0.27950 70 4PX 0.01572 -0.00137 0.00772 0.01058 0.00228 71 4PY -0.00866 -0.01085 -0.00677 -0.01012 -0.00872 72 4PZ 0.01835 -0.00256 0.01261 0.01339 0.00455 73 5PX -0.36487 -0.22487 -0.77625 -0.12919 0.16515 74 5PY 0.12481 0.81182 0.68103 0.04860 0.24643 75 5PZ -0.18543 0.58328 -1.27128 -0.30410 -0.29176 76 6PX 0.36941 0.18487 1.31152 0.23603 0.05620 77 6PY -0.29883 -0.45021 -1.12190 -0.03150 -0.26644 78 6PZ 0.40232 -0.47980 2.21414 0.41945 0.26579 79 7D 0 0.02688 -0.05352 0.04738 0.06011 -0.02185 80 7D+1 -0.02699 0.09421 -0.13580 -0.06283 -0.04350 81 7D-1 -0.08190 0.10113 -0.13214 -0.05850 -0.01699 82 7D+2 -0.10877 -0.19016 -0.16393 -0.03715 -0.02834 83 7D-2 -0.02509 0.07768 0.00846 -0.00912 0.03093 84 8D 0 -0.08511 0.16590 -0.14816 -0.16829 0.06163 85 8D+1 0.05859 -0.28467 0.42455 0.17671 0.13918 86 8D-1 0.23267 -0.30936 0.41416 0.18036 0.06590 87 8D+2 0.30410 0.57353 0.51072 0.09436 0.08353 88 8D-2 0.06695 -0.23238 -0.02580 0.03102 -0.09431 89 5 Cu 1S -0.00029 -0.01102 -0.00191 0.00046 -0.08040 90 2S -0.06548 -0.03634 -0.00554 -0.06005 -0.16464 91 3S -0.91021 -0.06273 -0.01225 -0.85188 -0.47108 92 4PX -0.01664 0.00439 -0.00921 -0.01136 -0.00677 93 4PY -0.00793 0.00460 -0.01046 -0.01087 -0.00086 94 4PZ -0.00374 -0.00745 0.00547 -0.01152 -0.00116 95 5PX 0.71242 -0.30143 0.95923 0.06925 0.25382 96 5PY -0.27855 0.14924 1.15493 0.60136 0.05451 97 5PZ 0.05186 0.44677 -0.60418 0.74022 0.11997 98 6PX -0.45288 0.28773 -1.64987 -0.00913 -0.36241 99 6PY 0.13830 -0.01238 -1.98335 -0.45726 0.01799 100 6PZ 0.39110 -0.38664 1.06097 -0.24952 -0.05921 101 7D 0 -0.08921 0.11318 -0.11536 0.14665 0.00542 102 7D+1 0.07009 0.02965 0.04184 0.05490 0.03252 103 7D-1 0.03524 0.03820 0.14429 0.14706 0.03974 104 7D+2 0.07570 -0.07234 0.13076 0.01720 0.02123 105 7D-2 -0.11107 0.02557 0.09436 0.05325 -0.02521 106 8D 0 0.26048 -0.34711 0.36092 -0.44608 -0.01212 107 8D+1 -0.21078 -0.08029 -0.13026 -0.17097 -0.09961 108 8D-1 -0.11270 -0.11698 -0.45269 -0.44956 -0.13155 109 8D+2 -0.22634 0.20558 -0.41034 -0.04299 -0.06663 110 8D-2 0.38166 -0.07704 -0.29500 -0.14257 0.08758 111 6 Cu 1S -0.01884 0.00069 -0.00004 0.00101 0.33541 112 2S -0.05330 0.00131 -0.00011 -0.00470 0.77436 113 3S 0.13743 -0.00648 -0.00331 0.97670 -1.01839 114 4PX 0.00103 -0.06292 -0.00350 -0.02071 0.00460 115 4PY -0.00020 -0.03895 -0.00231 0.03573 -0.00618 116 4PZ 0.00438 -0.00149 0.00010 -0.06254 -0.02035 117 5PX 0.10751 1.83907 0.09761 0.74037 0.15973 118 5PY -0.23675 1.12542 0.06507 -1.26726 -0.29849 119 5PZ 0.16149 0.03850 -0.00402 1.89080 0.35732 120 6PX 0.17410 -0.82592 -0.04095 -0.29594 0.28067 121 6PY -0.29391 -0.51059 -0.02832 0.50113 -0.47179 122 6PZ 0.50799 -0.01275 0.00213 -0.54358 0.28192 123 7D 0 -0.05349 -0.00657 0.00084 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0.67033 163 5PZ -0.05639 -0.01099 0.00043 -0.41448 -0.37432 164 9 O 1S -0.00184 0.00004 -0.00001 -0.00076 0.07282 165 2S 0.02694 -0.00110 0.00032 -0.00915 -1.71369 166 3S -0.01295 0.00180 -0.00102 0.17527 3.27247 167 4PX 0.00074 -0.02964 -0.00177 -0.00903 0.00240 168 4PY 0.00060 -0.01759 -0.00110 0.01476 -0.00099 169 4PZ -0.00435 -0.00132 -0.00014 -0.01852 -0.05313 170 5PX -0.00539 0.10141 0.00603 0.00301 -0.52054 171 5PY 0.00413 0.06348 0.00350 -0.00446 0.83952 172 5PZ 0.00428 0.00445 0.00032 0.05735 0.34255 166 167 168 169 170 V V V V V EIGENVALUES -- 1.80125 1.80529 1.82098 2.17805 2.24311 1 1 Cu 1S -0.50260 0.06878 -0.84699 0.74092 0.72229 2 2S -1.05118 0.15912 -1.79319 1.39801 1.36215 3 3S 0.14190 -0.01138 0.62306 -2.40569 -2.22414 4 4PX -0.00308 0.00242 0.01393 -0.00929 0.02357 5 4PY 0.01829 -0.00251 0.02600 0.01648 0.02045 6 4PZ -0.00839 0.01038 -0.01910 -0.02823 -0.00345 7 5PX -0.15263 -0.22044 -0.56799 0.36629 -0.20154 8 5PY -0.72966 0.08609 -1.05686 0.00746 -0.11052 9 5PZ 0.74654 -0.22445 0.76917 0.18052 -0.24430 10 6PX -0.14294 -0.01425 0.14421 -0.86814 0.96381 11 6PY 0.22286 -0.06820 0.40725 -0.11405 -0.03011 12 6PZ -0.14935 0.10641 -0.33434 -0.83909 0.24944 13 7D 0 0.00537 -0.04737 -0.01854 0.03930 -0.03376 14 7D+1 -0.00486 -0.04615 0.04545 0.02324 -0.01445 15 7D-1 -0.09138 0.03180 -0.08548 -0.03362 0.00342 16 7D+2 -0.07728 -0.01265 0.02757 -0.02039 0.00969 17 7D-2 0.01192 0.03666 0.08159 -0.04373 0.04971 18 8D 0 -0.02827 0.14488 0.06112 -0.13573 0.11512 19 8D+1 0.02732 0.15778 -0.16413 -0.06961 0.06218 20 8D-1 0.30767 -0.09844 0.28606 0.10385 -0.02149 21 8D+2 0.24621 0.04219 -0.09717 0.07689 -0.02506 22 8D-2 -0.04556 -0.11703 -0.27051 0.15962 -0.16430 23 2 Cu 1S 0.02812 -0.75849 0.56549 0.96893 -0.50906 24 2S 0.06703 -1.60330 1.18727 1.82661 -0.95778 25 3S -0.54738 0.40641 -0.57440 -2.95930 1.42463 26 4PX -0.00282 0.02821 -0.01735 0.02883 -0.01812 27 4PY 0.00812 0.01748 -0.00016 0.00185 -0.01834 28 4PZ 0.00592 0.00730 -0.01329 0.02130 0.01468 29 5PX -0.31742 -1.28963 0.75051 0.10139 -0.12132 30 5PY -0.02431 -0.52204 0.00403 0.06299 0.30480 31 5PZ 0.04775 -0.25467 0.54844 -0.18401 -0.31875 32 6PX 0.02169 0.46566 -0.29605 0.27284 -0.13164 33 6PY 0.14103 0.30101 0.01793 -0.47165 -0.78477 34 6PZ -0.07053 0.04017 -0.22566 0.30682 1.00510 35 7D 0 -0.01875 -0.03758 -0.02827 0.01800 0.02988 36 7D+1 0.02742 0.02883 -0.08523 0.03402 0.04770 37 7D-1 0.07237 -0.04400 0.05450 -0.00456 -0.00195 38 7D+2 0.02619 0.03713 -0.03070 0.00640 0.02165 39 7D-2 0.01912 0.10928 0.00293 -0.01279 -0.05119 40 8D 0 0.07826 0.12296 0.09374 -0.06005 -0.09914 41 8D+1 -0.07938 -0.09711 0.27806 -0.10588 -0.16869 42 8D-1 -0.24164 0.15564 -0.18967 -0.00621 0.01379 43 8D+2 -0.10669 -0.12673 0.09884 -0.01813 -0.08239 44 8D-2 -0.05538 -0.35467 -0.00333 0.05600 0.17307 45 3 Cu 1S -0.52117 0.80739 0.00077 -0.10000 -1.06924 46 2S -1.09391 1.69675 0.00138 -0.18816 -2.01029 47 3S -0.14979 -1.18407 0.00788 0.29783 2.77125 48 4PX 0.00051 -0.00705 -0.00981 -0.02628 -0.00504 49 4PY -0.00813 0.01707 -0.00531 -0.01184 0.02140 50 4PZ 0.02641 -0.01883 -0.00126 -0.00614 -0.02782 51 5PX -0.32258 0.18991 0.33584 0.42522 -0.18617 52 5PY 0.84029 -0.52773 0.17088 0.23812 0.26336 53 5PZ -0.83040 0.89225 0.04050 0.05637 -0.04434 54 6PX 0.07157 -0.11401 -0.12604 -1.24509 -0.07282 55 6PY -0.26616 0.26110 -0.06223 -0.61459 0.39131 56 6PZ 0.38131 -0.34173 -0.01192 -0.15551 0.06936 57 7D 0 0.05828 0.01994 -0.01367 -0.01506 -0.01318 58 7D+1 0.02692 -0.05512 -0.06564 -0.07007 0.00494 59 7D-1 -0.08166 0.07517 -0.02798 -0.02904 0.00548 60 7D+2 -0.01372 -0.03594 -0.03948 -0.04012 -0.00957 61 7D-2 -0.00048 -0.06799 0.03721 0.03597 -0.02283 62 8D 0 -0.17598 -0.06724 0.04336 0.05185 0.05007 63 8D+1 -0.09435 0.18409 0.20972 0.23841 -0.03002 64 8D-1 0.27779 -0.24600 0.08922 0.10097 0.00174 65 8D+2 0.05600 0.13111 0.12517 0.13659 0.02934 66 8D-2 0.01511 0.24225 -0.11868 -0.12512 0.06879 67 4 Cu 1S -0.01148 -0.77678 -0.54665 -1.04092 -0.31687 68 2S -0.01499 -1.64238 -1.14817 -1.96266 -0.59508 69 3S -0.44965 0.42797 0.57083 3.22526 0.92663 70 4PX -0.00633 -0.03143 -0.01146 0.02551 0.01788 71 4PY 0.00625 -0.01415 -0.01509 0.02421 -0.00114 72 4PZ 0.00541 0.00039 0.00964 -0.01107 0.02197 73 5PX 0.22290 1.20986 0.48952 0.02813 -0.13976 74 5PY 0.24239 0.78481 0.63815 0.06246 0.25968 75 5PZ 0.08725 0.02728 -0.39523 0.12500 -0.35560 76 6PX -0.11492 -0.52181 -0.18232 -0.05555 0.55401 77 6PY 0.08563 -0.19707 -0.26273 0.42320 -0.53456 78 6PZ -0.08138 -0.07798 0.16717 -0.06153 1.10026 79 7D 0 -0.03720 -0.03268 0.01099 -0.00220 0.01345 80 7D+1 -0.06049 0.05390 -0.00849 0.01151 -0.04451 81 7D-1 0.02447 -0.03844 -0.09507 0.02038 -0.04346 82 7D+2 0.02624 0.07955 -0.02295 0.00343 -0.05253 83 7D-2 0.03605 0.08005 0.04368 -0.00898 0.01383 84 8D 0 0.13449 0.10562 -0.03941 0.00519 -0.04279 85 8D+1 0.19200 -0.18361 0.01790 -0.05402 0.15064 86 8D-1 -0.09705 0.13361 0.31749 -0.04794 0.15127 87 8D+2 -0.07317 -0.25461 0.07049 -0.01775 0.18275 88 8D-2 -0.13186 -0.26644 -0.14344 0.01966 -0.05458 89 5 Cu 1S -0.50632 0.07845 0.85630 -0.56194 0.84832 90 2S -1.05802 0.17933 1.81203 -1.06022 1.59849 91 3S 0.17842 -0.01864 -0.62272 1.83725 -2.65994 92 4PX -0.01162 -0.00081 0.02568 -0.00298 -0.02906 93 4PY 0.01291 -0.00469 -0.00537 -0.02132 -0.00404 94 4PZ -0.00874 0.01022 0.02366 0.02447 -0.01521 95 5PX 0.56161 0.08580 -1.05334 0.27587 0.20313 96 5PY -0.34815 0.25185 0.21500 0.34452 0.06360 97 5PZ 0.79773 -0.20567 -0.96543 -0.14925 -0.16610 98 6PX -0.09879 0.05153 0.36218 -0.82685 -0.38784 99 6PY 0.22711 -0.03171 -0.15284 -0.87620 -0.68950 100 6PZ -0.10072 0.12686 0.38907 0.67373 -0.04797 101 7D 0 0.01668 -0.03506 0.01570 -0.03976 -0.01991 102 7D+1 0.07345 0.01950 -0.06938 0.00953 0.02417 103 7D-1 -0.06190 0.05970 0.07681 0.05192 0.01035 104 7D+2 0.02234 0.04242 -0.04903 0.04492 0.03396 105 7D-2 -0.06525 -0.01118 -0.06284 0.03172 0.01803 106 8D 0 -0.06868 0.10282 -0.05538 0.13796 0.06580 107 8D+1 -0.25143 -0.06798 0.22567 -0.03735 -0.07891 108 8D-1 0.19929 -0.19560 -0.26536 -0.16827 -0.05030 109 8D+2 -0.07564 -0.13551 0.16033 -0.15746 -0.11480 110 8D-2 0.20665 0.03956 0.21585 -0.11788 -0.04777 111 6 Cu 1S 0.06444 0.01511 -0.00352 -0.00326 0.14907 112 2S 0.24562 0.07387 -0.00908 -0.00716 0.26767 113 3S 2.91177 1.19051 -0.02504 -0.01111 -0.33225 114 4PX 0.03367 0.01300 -0.00050 -0.03361 0.02380 115 4PY -0.05367 -0.02022 0.00082 -0.01987 -0.04067 116 4PZ -0.03799 -0.01552 0.00051 -0.00060 0.02809 117 5PX -1.16829 -0.46328 -0.00598 0.47410 -0.54298 118 5PY 1.85749 0.73380 -0.03668 0.27492 0.91275 119 5PZ 1.27577 0.48243 -0.01481 0.00500 -0.38154 120 6PX -0.14070 -0.06561 -0.03150 0.38538 -0.23411 121 6PY 0.22248 0.13899 -0.01409 0.22733 0.40980 122 6PZ 0.21976 0.03102 -0.01228 0.01318 -0.57069 123 7D 0 -0.03887 0.01561 0.00695 -0.00110 0.02676 124 7D+1 -0.01084 0.00174 0.04064 -0.02289 -0.00938 125 7D-1 0.02782 -0.02237 0.01695 -0.01477 0.01312 126 7D+2 -0.00803 -0.03287 0.02737 0.02676 0.00057 127 7D-2 -0.02419 -0.04588 -0.02377 -0.01282 0.00055 128 8D 0 0.14581 -0.06482 -0.02757 0.00368 -0.08241 129 8D+1 0.06290 0.00275 -0.15875 0.07678 0.04199 130 8D-1 -0.14055 0.07195 -0.06618 0.04946 -0.06058 131 8D+2 0.04231 0.12928 -0.10471 -0.08692 0.00957 132 8D-2 0.11645 0.18426 0.09101 0.04143 0.02100 133 7 Cu 1S 1.05129 0.41868 -0.01455 -0.00121 0.00640 134 2S 2.15642 0.85832 -0.03052 -0.00186 0.01772 135 3S -2.28938 -0.89476 0.01890 0.01631 -0.04137 136 4PX -0.01099 -0.00442 0.00026 -0.02204 0.00472 137 4PY 0.01737 0.00681 -0.00053 -0.01324 -0.00879 138 4PZ 0.00986 0.00379 -0.00013 -0.00063 0.02259 139 5PX 0.35995 0.13483 -0.05198 0.13709 -0.04043 140 5PY -0.57902 -0.18085 -0.00537 0.07755 0.06811 141 5PZ -0.17919 -0.13713 -0.00450 0.00301 -0.11239 142 6PX -0.32792 -0.13021 0.02342 -0.67815 0.24432 143 6PY 0.51740 0.18412 -0.00297 -0.41082 -0.43165 144 6PZ 0.29171 0.13950 0.00904 -0.02604 0.71758 145 7D 0 0.01296 0.04143 0.00947 0.00168 -0.04404 146 7D+1 -0.01097 0.00359 0.05333 0.02861 0.00947 147 7D-1 0.02694 -0.02773 0.02192 0.01872 -0.01380 148 7D+2 0.01503 -0.02725 0.03565 -0.04605 -0.01450 149 7D-2 0.02158 -0.03298 -0.03258 0.02308 -0.02700 150 8D 0 -0.04623 -0.15427 -0.03581 -0.00556 0.14489 151 8D+1 0.05716 -0.00686 -0.20019 -0.09451 -0.02639 152 8D-1 -0.12647 0.09366 -0.08201 -0.06177 0.03810 153 8D+2 -0.04623 0.10574 -0.13376 0.15347 0.05115 154 8D-2 -0.05974 0.13165 0.12158 -0.07713 0.09591 155 8 C 1S -0.00297 -0.00114 0.00011 0.00001 -0.00037 156 2S -0.07037 -0.02237 0.00104 -0.00036 -0.17342 157 3S 1.73646 0.70597 -0.01010 -0.00855 1.49818 158 4PX 0.01912 0.00840 0.00272 0.07359 0.04366 159 4PY -0.03309 -0.01662 0.00023 0.04506 -0.06797 160 4PZ 0.04520 0.02247 -0.00012 0.00188 -0.08276 161 5PX 0.01349 0.01338 0.02086 -0.45569 0.33810 162 5PY -0.02642 -0.02957 0.00680 -0.27325 -0.58453 163 5PZ 0.10849 0.05928 0.00414 -0.01151 0.53090 164 9 O 1S -0.02501 -0.01082 -0.00008 0.00010 -0.01819 165 2S 0.63017 0.27479 0.00220 -0.00368 0.65803 166 3S -1.25480 -0.54661 -0.00382 0.00839 -1.53666 167 4PX -0.01680 -0.00620 0.00728 -0.07555 0.01614 168 4PY 0.02873 0.00847 0.00309 -0.04594 -0.02955 169 4PZ -0.00880 0.00161 0.00193 -0.00185 0.05273 170 5PX 0.22868 0.09747 -0.02162 0.25700 0.15152 171 5PY -0.37625 -0.15277 -0.01083 0.15906 -0.23475 172 5PZ -0.05358 -0.04193 -0.00608 0.00663 -0.27643 171 172 V V EIGENVALUES -- 2.56166 9.40094 1 1 Cu 1S -0.68333 -0.54282 2 2S -1.20170 -0.84187 3 3S 0.91679 -1.47969 4 4PX -0.01673 -0.01430 5 4PY -0.02913 -0.02201 6 4PZ 0.02045 0.02796 7 5PX 0.19933 -0.41500 8 5PY -0.03517 -0.11455 9 5PZ -0.23599 0.60239 10 6PX 0.18909 -0.36650 11 6PY -0.15887 0.44762 12 6PZ -0.49935 0.40623 13 7D 0 0.02298 0.00352 14 7D+1 -0.02362 -0.00661 15 7D-1 0.00274 -0.01265 16 7D+2 0.00975 -0.00333 17 7D-2 -0.00854 0.00942 18 8D 0 -0.07232 -0.03468 19 8D+1 0.07626 0.05460 20 8D-1 -0.00775 0.09778 21 8D+2 -0.02636 0.01537 22 8D-2 0.03045 -0.06857 23 2 Cu 1S -0.46261 -0.70958 24 2S -0.81138 -1.10327 25 3S 0.05846 -1.37751 26 4PX -0.02278 -0.04983 27 4PY -0.00822 -0.00121 28 4PZ -0.01657 -0.00289 29 5PX 0.20952 -0.87801 30 5PY -0.12246 0.14846 31 5PZ -0.05784 0.07842 32 6PX 0.39266 -0.19801 33 6PY 0.04932 0.14038 34 6PZ -0.13236 -0.01989 35 7D 0 -0.02031 -0.00270 36 7D+1 -0.02338 0.00482 37 7D-1 0.00736 -0.00021 38 7D+2 0.01879 0.01166 39 7D-2 -0.01957 0.00649 40 8D 0 0.06689 0.04252 41 8D+1 0.07532 -0.03287 42 8D-1 -0.03215 0.00472 43 8D+2 -0.05722 -0.10797 44 8D-2 0.06137 -0.03756 45 3 Cu 1S -0.35305 -0.80129 46 2S -0.62222 -1.24302 47 3S -0.56726 -0.94260 48 4PX -0.00139 -0.02101 49 4PY 0.00622 0.04681 50 4PZ -0.02139 -0.02916 51 5PX 0.09671 -0.38216 52 5PY -0.16446 0.78352 53 5PZ -0.08534 -0.20288 54 6PX 0.05784 0.05083 55 6PY -0.20718 -0.06805 56 6PZ 0.24727 -0.22597 57 7D 0 -0.02067 0.00287 58 7D+1 -0.00091 0.00263 59 7D-1 -0.00030 -0.00674 60 7D+2 -0.02027 -0.00340 61 7D-2 -0.02907 -0.00272 62 8D 0 0.05822 -0.00715 63 8D+1 0.00679 -0.03429 64 8D-1 -0.00213 0.08065 65 8D+2 0.06606 0.04317 66 8D-2 0.09573 0.04174 67 4 Cu 1S -0.50392 -0.67553 68 2S -0.88291 -1.05125 69 3S 0.26684 -1.48362 70 4PX 0.02358 0.02781 71 4PY 0.01792 0.03732 72 4PZ -0.01145 0.00600 73 5PX -0.01999 0.34768 74 5PY -0.25874 0.78791 75 5PZ -0.08100 0.20830 76 6PX -0.20760 -0.05631 77 6PY -0.30745 0.31952 78 6PZ -0.24653 0.06463 79 7D 0 -0.01263 -0.00409 80 7D+1 0.00924 0.00034 81 7D-1 0.02990 -0.00177 82 7D+2 -0.02280 0.00163 83 7D-2 0.00398 0.01512 84 8D 0 0.04343 0.04720 85 8D+1 -0.02440 -0.01122 86 8D-1 -0.10035 0.00377 87 8D+2 0.06892 0.00473 88 8D-2 -0.01003 -0.12238 89 5 Cu 1S -0.70722 -0.52454 90 2S -1.24350 -0.81253 91 3S 0.99085 -1.41141 92 4PX 0.02913 0.02124 93 4PY -0.00547 -0.00362 94 4PZ 0.02739 0.03096 95 5PX -0.03269 0.18622 96 5PY -0.16029 0.21776 97 5PZ -0.27215 0.64729 98 6PX 0.11099 -0.28397 99 6PY -0.23624 0.53656 100 6PZ -0.49335 0.43527 101 7D 0 0.02687 0.00764 102 7D+1 0.00120 0.01409 103 7D-1 0.01862 -0.00285 104 7D+2 -0.00943 0.00664 105 7D-2 0.00285 -0.00098 106 8D 0 -0.08465 -0.06577 107 8D+1 -0.00470 -0.10712 108 8D-1 -0.05837 0.02019 109 8D+2 0.03087 -0.04531 110 8D-2 -0.00410 -0.00144 111 6 Cu 1S 0.68929 -3.27915 112 2S 1.21109 -5.28619 113 3S -3.84544 10.44539 114 4PX 0.03156 0.04145 115 4PY -0.04997 -0.06540 116 4PZ -0.03734 -0.06384 117 5PX 0.70252 -3.68152 118 5PY -1.13213 5.87275 119 5PZ -0.82548 3.86514 120 6PX -0.65224 0.31065 121 6PY 1.07719 -0.55515 122 6PZ -0.07961 1.28670 123 7D 0 -0.00423 -0.02049 124 7D+1 -0.01976 -0.03716 125 7D-1 0.03206 0.05966 126 7D+2 -0.01420 -0.03042 127 7D-2 -0.02841 -0.06271 128 8D 0 -0.00229 0.14530 129 8D+1 0.04654 0.26720 130 8D-1 -0.07645 -0.42837 131 8D+2 0.02867 0.22089 132 8D-2 0.05593 0.45428 133 7 Cu 1S -1.10437 -0.74000 134 2S -1.89752 -1.24348 135 3S 4.48177 -0.16376 136 4PX -0.03567 -0.02333 137 4PY 0.05646 0.03692 138 4PZ 0.04410 0.03471 139 5PX 0.52799 -0.47539 140 5PY -0.83822 0.75686 141 5PZ -0.74605 0.64566 142 6PX 0.53729 0.16443 143 6PY -0.87293 -0.23195 144 6PZ -0.41252 -0.98175 145 7D 0 0.00438 0.00067 146 7D+1 0.00595 -0.01552 147 7D-1 -0.00943 0.02457 148 7D+2 0.00590 -0.00940 149 7D-2 0.01181 -0.01941 150 8D 0 -0.01294 -0.01003 151 8D+1 -0.02611 0.11505 152 8D-1 0.04127 -0.18214 153 8D+2 -0.02359 0.06629 154 8D-2 -0.04715 0.13772 155 8 C 1S 0.00655 -0.05253 156 2S 0.40960 -0.97200 157 3S -0.13616 4.59853 158 4PX -0.01750 -0.06777 159 4PY 0.02461 0.10599 160 4PZ 0.08055 0.11961 161 5PX 0.96008 -2.16427 162 5PY -1.53683 3.46899 163 5PZ -0.86754 1.83056 164 9 O 1S -0.01271 -0.00953 165 2S 0.70381 -0.46650 166 3S -1.76304 1.62449 167 4PX 0.00542 -0.09578 168 4PY -0.00498 0.15048 169 4PZ -0.07993 0.14457 170 5PX 0.14959 0.27056 171 5PY -0.26052 -0.40983 172 5PZ 0.27769 -0.69194 ALPHA DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.00537 2 2S 0.00718 0.17368 3 3S 0.00620 0.08028 0.20785 4 4PX -0.00129 -0.00804 0.01465 0.99727 5 4PY -0.00232 -0.01388 0.02684 -0.00034 0.99712 6 4PZ 0.00211 0.01338 -0.02382 -0.00002 0.00056 7 5PX 0.00094 0.01137 0.02365 0.01487 0.00331 8 5PY 0.00176 0.01807 0.04938 0.00399 0.01706 9 5PZ -0.00151 -0.01897 -0.03880 -0.00190 -0.00529 10 6PX 0.00044 -0.00157 0.00736 -0.01771 0.00324 11 6PY 0.00102 -0.01531 0.01297 0.00337 -0.00493 12 6PZ -0.00081 0.00353 -0.01148 -0.00842 -0.00621 13 7D 0 -0.00010 -0.00188 -0.00137 0.00007 -0.00109 14 7D+1 0.00026 -0.00316 -0.04469 -0.00051 0.00083 15 7D-1 0.00026 0.00510 0.07060 -0.00021 0.00015 16 7D+2 0.00011 -0.00508 -0.03187 0.00124 -0.00137 17 7D-2 -0.00020 -0.00391 -0.05369 0.00107 0.00002 18 8D 0 -0.00001 -0.00074 -0.00049 0.00013 -0.00038 19 8D+1 -0.00006 -0.00068 -0.01487 -0.00052 -0.00002 20 8D-1 0.00007 -0.00080 0.02143 -0.00037 -0.00056 21 8D+2 -0.00003 -0.00195 -0.01088 0.00034 -0.00077 22 8D-2 -0.00006 0.00031 -0.01657 0.00053 0.00037 23 2 Cu 1S -0.00118 -0.00332 -0.00005 0.00039 -0.00084 24 2S -0.00354 0.07812 0.00658 0.00734 -0.00504 25 3S -0.00012 0.00538 -0.06523 0.00742 -0.00129 26 4PX -0.00118 -0.00831 -0.00102 0.00046 -0.00024 27 4PY 0.00053 0.00790 0.00604 -0.00148 0.00087 28 4PZ -0.00125 -0.01293 -0.00978 0.00084 0.00076 29 5PX -0.00026 0.00676 -0.00860 -0.00170 0.00097 30 5PY 0.00045 -0.02055 -0.00191 0.00333 -0.00198 31 5PZ -0.00071 0.02373 -0.00808 0.00058 -0.00525 32 6PX 0.00021 -0.00650 -0.01226 0.00588 -0.00031 33 6PY 0.00067 0.00022 0.00881 0.00698 0.00269 34 6PZ -0.00065 -0.00982 -0.01795 -0.00708 0.00077 35 7D 0 0.00093 0.01561 0.06798 0.00850 -0.00668 36 7D+1 -0.00049 0.00625 0.09062 0.00252 -0.00606 37 7D-1 -0.00198 -0.02629 -0.13106 -0.00814 -0.00077 38 7D+2 -0.00123 -0.00956 0.00288 -0.00204 -0.00551 39 7D-2 0.00013 -0.00153 -0.00746 -0.00165 0.00049 40 8D 0 0.00049 0.00467 0.02307 0.00206 -0.00198 41 8D+1 0.00006 0.00215 0.03016 -0.00075 -0.00131 42 8D-1 -0.00083 -0.00918 -0.04375 -0.00175 -0.00104 43 8D+2 -0.00041 -0.00272 0.00096 -0.00098 -0.00190 44 8D-2 -0.00010 0.00054 -0.00296 0.00048 -0.00033 45 3 Cu 1S 0.00038 -0.00130 -0.00110 0.00047 0.00096 46 2S -0.00135 -0.05502 -0.01023 0.00602 0.00089 47 3S -0.00110 -0.00949 0.02923 -0.00431 0.00200 48 4PX 0.00026 0.00710 -0.00515 0.00140 -0.00045 49 4PY -0.00048 0.00489 -0.00549 -0.00008 0.00052 50 4PZ 0.00102 0.00037 0.00204 -0.00023 0.00133 51 5PX 0.00002 -0.01566 -0.00141 -0.00396 0.00106 52 5PY 0.00069 -0.01135 0.00092 0.00014 -0.00184 53 5PZ -0.00046 -0.00088 -0.00341 0.00055 -0.00240 54 6PX 0.00040 0.00117 0.00494 0.00431 0.00036 55 6PY -0.00028 -0.00224 -0.01208 0.00346 -0.00084 56 6PZ 0.00061 0.01643 0.01866 -0.00053 0.00084 57 7D 0 -0.00105 -0.00555 -0.03996 -0.00022 0.00198 58 7D+1 0.00075 0.00835 -0.01557 0.00160 0.00059 59 7D-1 0.00298 0.01657 0.07479 -0.00069 0.00243 60 7D+2 0.00160 0.01190 0.01806 0.00060 0.00075 61 7D-2 -0.00062 -0.00582 -0.01468 -0.00210 0.00043 62 8D 0 -0.00033 -0.00232 -0.01406 0.00000 0.00091 63 8D+1 0.00025 0.00275 -0.00457 0.00081 0.00012 64 8D-1 0.00104 0.00759 0.02695 -0.00031 0.00070 65 8D+2 0.00058 0.00448 0.00699 0.00013 0.00044 66 8D-2 -0.00017 -0.00243 -0.00507 -0.00082 0.00015 67 4 Cu 1S 0.00040 -0.00125 -0.00064 0.00027 0.00092 68 2S -0.00127 -0.05542 -0.01076 -0.00788 -0.00037 69 3S -0.00070 -0.00994 0.02990 0.00873 0.00344 70 4PX -0.00100 -0.00338 -0.00034 0.00068 -0.00103 71 4PY -0.00061 0.00415 -0.00739 -0.00150 0.00049 72 4PZ 0.00015 -0.00661 0.00574 0.00057 0.00110 73 5PX 0.00030 0.00756 0.00385 -0.00445 0.00135 74 5PY 0.00058 -0.00967 0.00175 0.00164 -0.00213 75 5PZ -0.00026 0.01461 0.00052 -0.00115 -0.00241 76 6PX -0.00070 -0.01341 -0.01657 -0.00023 -0.00036 77 6PY -0.00039 -0.00549 -0.01556 -0.00361 -0.00218 78 6PZ -0.00016 0.00461 0.00308 0.00541 0.00020 79 7D 0 0.00088 0.00500 0.03489 0.00113 -0.00005 80 7D+1 0.00169 0.01295 0.01660 0.00154 -0.00050 81 7D-1 0.00198 0.01307 0.04129 -0.00033 0.00044 82 7D+2 0.00070 0.00721 -0.00909 -0.00210 0.00242 83 7D-2 -0.00236 -0.01159 -0.06419 -0.00069 -0.00222 84 8D 0 0.00032 0.00204 0.01214 0.00028 0.00009 85 8D+1 0.00058 0.00481 0.00679 0.00038 -0.00032 86 8D-1 0.00066 0.00576 0.01490 -0.00003 0.00011 87 8D+2 0.00027 0.00243 -0.00258 -0.00095 0.00103 88 8D-2 -0.00084 -0.00549 -0.02309 -0.00030 -0.00059 89 5 Cu 1S -0.00116 -0.00344 0.00003 -0.00158 -0.00095 90 2S -0.00342 0.07637 0.00515 -0.01593 -0.00679 91 3S 0.00004 0.00490 -0.06722 -0.01005 -0.00278 92 4PX 0.00159 0.01444 0.00867 0.00136 -0.00058 93 4PY 0.00074 0.00938 0.00743 0.00060 0.00108 94 4PZ 0.00067 0.00252 -0.00289 -0.00121 0.00050 95 5PX 0.00071 -0.02219 0.01187 -0.00105 0.00458 96 5PY 0.00047 -0.02262 -0.00076 0.00281 -0.00217 97 5PZ -0.00014 0.00363 0.00603 0.00137 -0.00300 98 6PX 0.00050 0.01211 0.02150 -0.00210 -0.00070 99 6PY 0.00062 0.00075 0.00895 -0.00834 0.00139 100 6PZ -0.00045 0.00182 0.00303 0.00559 0.00081 101 7D 0 -0.00074 -0.01480 -0.07440 0.00953 0.00209 102 7D+1 -0.00137 -0.00912 0.02340 -0.00368 -0.00210 103 7D-1 -0.00096 -0.01063 -0.05007 -0.00293 -0.00157 104 7D+2 -0.00048 0.00465 0.06357 -0.00493 -0.01073 105 7D-2 0.00166 0.02558 0.13772 -0.01272 -0.00232 106 8D 0 -0.00042 -0.00444 -0.02502 0.00157 0.00000 107 8D+1 -0.00043 -0.00248 0.00747 -0.00062 -0.00036 108 8D-1 -0.00023 -0.00467 -0.01633 -0.00035 -0.00030 109 8D+2 0.00000 0.00144 0.02134 0.00027 -0.00317 110 8D-2 0.00079 0.00848 0.04614 -0.00209 0.00038 111 6 Cu 1S -0.00128 -0.00227 -0.00303 -0.00046 -0.00035 112 2S -0.00397 0.04808 0.00765 -0.00894 0.00258 113 3S -0.00413 -0.00979 -0.06466 -0.01401 -0.00700 114 4PX 0.00101 0.01329 0.00496 0.00136 -0.00038 115 4PY 0.00026 0.00745 0.00937 0.00058 0.00013 116 4PZ -0.00161 -0.02062 -0.01203 0.00120 0.00044 117 5PX 0.00146 -0.02267 0.01040 -0.00224 0.00201 118 5PY 0.00035 -0.02774 -0.01640 -0.00232 0.00199 119 5PZ -0.00257 0.03786 -0.01372 -0.00845 -0.00308 120 6PX 0.00002 0.00464 0.00219 0.00461 -0.00025 121 6PY 0.00024 0.01197 0.00347 -0.00093 0.00327 122 6PZ -0.00025 -0.01386 -0.00924 0.00110 -0.00157 123 7D 0 -0.00084 0.00609 0.03255 -0.00838 -0.00206 124 7D+1 0.00017 -0.02176 -0.09707 0.00419 0.00171 125 7D-1 -0.00141 -0.01033 -0.06630 0.00306 -0.00165 126 7D+2 -0.00103 -0.00832 -0.01899 0.00134 -0.00296 127 7D-2 0.00066 0.00732 0.03082 0.00115 0.00203 128 8D 0 -0.00029 0.00057 0.01034 -0.00211 -0.00091 129 8D+1 0.00019 -0.00613 -0.03145 0.00002 0.00083 130 8D-1 -0.00060 -0.00382 -0.02200 0.00090 -0.00098 131 8D+2 -0.00032 -0.00429 -0.00648 0.00116 -0.00106 132 8D-2 0.00037 0.00188 0.01018 0.00084 0.00091 133 7 Cu 1S -0.00122 -0.00424 -0.00228 -0.00010 -0.00181 134 2S -0.00414 0.04239 -0.00054 0.00424 -0.02018 135 3S -0.00234 -0.03775 -0.06177 0.00032 -0.02527 136 4PX -0.00012 0.00269 -0.00129 0.00154 0.00006 137 4PY 0.00198 0.02143 0.01513 -0.00089 0.00122 138 4PZ 0.00004 -0.00542 0.00102 0.00027 0.00012 139 5PX -0.00007 -0.01131 -0.00488 -0.00501 0.00115 140 5PY 0.00220 -0.02981 0.00859 0.00401 0.00221 141 5PZ -0.00005 0.01899 0.00714 -0.00042 -0.00281 142 6PX 0.00030 -0.00780 0.00142 0.00345 -0.00013 143 6PY -0.00001 0.00062 0.01304 0.00074 0.00237 144 6PZ -0.00034 0.01395 -0.00074 0.00191 0.00159 145 7D 0 0.00062 -0.00037 -0.05099 -0.00220 0.00712 146 7D+1 -0.00093 -0.01758 -0.03953 -0.00347 0.00062 147 7D-1 -0.00212 -0.02615 -0.08307 0.00122 0.00418 148 7D+2 0.00008 -0.01776 -0.12411 0.00290 0.01381 149 7D-2 0.00142 0.01490 0.04138 0.00748 -0.00098 150 8D 0 0.00019 0.00063 -0.01689 -0.00072 0.00067 151 8D+1 -0.00031 -0.00628 -0.01353 -0.00129 0.00053 152 8D-1 -0.00079 -0.00917 -0.02849 0.00052 0.00091 153 8D+2 -0.00002 -0.00491 -0.04147 0.00124 0.00186 154 8D-2 0.00053 0.00536 0.01432 0.00294 -0.00024 155 8 C 1S -0.00056 0.00452 -0.01034 -0.00068 0.00024 156 2S 0.00123 -0.01110 0.02104 0.00196 -0.00101 157 3S 0.00266 -0.02073 0.01490 0.00405 -0.00075 158 4PX -0.00035 -0.00592 -0.00740 -0.00244 0.00039 159 4PY 0.00076 -0.02249 -0.00082 0.00109 -0.00094 160 4PZ -0.00037 0.02335 -0.00031 -0.00481 0.00406 161 5PX -0.00014 -0.00067 -0.00088 0.00068 -0.00060 162 5PY 0.00023 -0.01112 -0.00155 -0.00045 -0.00090 163 5PZ -0.00001 0.00801 -0.00079 -0.00345 0.00353 164 9 O 1S -0.00028 -0.00087 0.00145 0.00009 -0.00006 165 2S 0.00058 0.00277 -0.00285 -0.00013 0.00037 166 3S -0.00001 -0.00051 -0.00944 -0.00131 -0.00008 167 4PX 0.00020 0.00976 -0.01345 0.00219 -0.00038 168 4PY 0.00007 0.01617 0.00765 0.00000 0.00065 169 4PZ -0.00016 -0.02676 -0.00364 0.00409 -0.00280 170 5PX 0.00022 0.00683 -0.00347 0.00097 0.00045 171 5PY -0.00035 0.00889 0.00030 -0.00036 0.00060 172 5PZ 0.00001 -0.01549 -0.00157 0.00348 -0.00284 6 7 8 9 10 6 4PZ 0.99730 7 5PX -0.00180 0.02717 8 5PY -0.00630 -0.00030 0.03421 9 5PZ 0.01697 -0.00098 0.00041 0.02815 10 6PX -0.00812 0.00493 -0.00122 0.00069 0.01079 11 6PY -0.00637 -0.00047 0.00445 0.00113 0.00093 12 6PZ -0.00993 0.00131 0.00173 0.00356 0.00145 13 7D 0 -0.00121 0.01154 0.02554 0.04171 0.02817 14 7D+1 0.00010 0.02950 -0.01326 -0.01173 0.02436 15 7D-1 0.00129 -0.00705 0.01744 -0.03280 -0.01006 16 7D+2 -0.00129 -0.02810 0.03211 0.01205 -0.02291 17 7D-2 -0.00023 -0.04107 -0.01220 -0.00637 -0.04994 18 8D 0 -0.00062 0.00403 0.00822 0.01365 0.00940 19 8D+1 0.00060 0.00963 -0.00453 -0.00363 0.00812 20 8D-1 0.00088 -0.00278 0.00496 -0.01019 -0.00320 21 8D+2 -0.00024 -0.00923 0.00997 0.00387 -0.00742 22 8D-2 -0.00037 -0.01339 -0.00357 -0.00258 -0.01669 23 2 Cu 1S 0.00167 0.00059 -0.00029 0.00057 0.00091 24 2S 0.01539 -0.02040 0.00085 -0.02566 0.00533 25 3S 0.00911 0.00019 -0.01103 0.00706 0.01146 26 4PX -0.00075 0.00151 0.00168 0.00366 0.00316 27 4PY -0.00010 0.00239 -0.00378 -0.00143 0.00745 28 4PZ 0.00149 0.00210 -0.00343 -0.00178 -0.00880 29 5PX 0.00204 0.00461 -0.00368 -0.00186 0.00651 30 5PY -0.00419 -0.00707 0.01072 0.00280 -0.00163 31 5PZ -0.00133 0.00063 0.00695 0.01179 0.00360 32 6PX 0.00170 -0.00017 -0.00304 0.00301 -0.00218 33 6PY 0.00541 0.00143 0.00477 -0.00295 -0.00365 34 6PZ -0.00214 0.00266 -0.00620 0.00788 0.00316 35 7D 0 0.00244 -0.02663 0.02856 -0.02015 -0.00732 36 7D+1 0.01159 0.00284 0.02390 -0.04996 -0.00235 37 7D-1 -0.00668 0.03224 -0.01344 0.03592 -0.01368 38 7D+2 0.00007 0.00528 0.02598 0.01217 -0.00570 39 7D-2 -0.00750 0.00888 -0.00943 0.02232 0.01842 40 8D 0 -0.00071 -0.00889 0.00959 -0.00685 -0.00237 41 8D+1 0.00193 0.00078 0.00804 -0.01676 -0.00045 42 8D-1 -0.00098 0.01073 -0.00447 0.01227 -0.00451 43 8D+2 -0.00023 0.00160 0.00880 0.00406 -0.00162 44 8D-2 -0.00158 0.00296 -0.00317 0.00738 0.00602 45 3 Cu 1S -0.00052 -0.00011 -0.00053 0.00070 0.00041 46 2S 0.00652 -0.01331 -0.00335 -0.01419 0.00671 47 3S -0.00619 -0.00196 -0.00343 0.00069 0.00970 48 4PX 0.00024 -0.00415 0.00055 -0.00010 0.00356 49 4PY 0.00174 -0.00071 -0.00357 -0.00294 0.00303 50 4PZ 0.00034 0.00090 -0.00195 -0.00188 0.00138 51 5PX -0.00114 0.01201 -0.00316 0.00103 0.00150 52 5PY -0.00257 0.00049 0.01286 0.00526 -0.00466 53 5PZ -0.00385 -0.00337 0.00705 0.01339 0.00290 54 6PX 0.00316 0.00016 0.00412 -0.00226 -0.00123 55 6PY 0.00293 0.00027 -0.00447 0.00069 0.00169 56 6PZ -0.00249 0.00365 0.00180 -0.00297 -0.00020 57 7D 0 0.00301 -0.00011 -0.01479 -0.00007 0.00637 58 7D+1 -0.00020 -0.01179 -0.00568 0.00709 0.00048 59 7D-1 0.00001 0.00259 0.00810 -0.01847 -0.00008 60 7D+2 -0.00059 -0.00224 -0.00172 -0.00602 0.00843 61 7D-2 0.00014 0.00481 0.00143 0.00166 0.00729 62 8D 0 0.00098 -0.00016 -0.00486 0.00046 0.00216 63 8D+1 -0.00003 -0.00430 -0.00166 0.00223 0.00036 64 8D-1 -0.00004 0.00108 0.00335 -0.00644 -0.00028 65 8D+2 0.00006 -0.00065 -0.00073 -0.00260 0.00278 66 8D-2 0.00014 0.00136 0.00041 0.00056 0.00239 67 4 Cu 1S -0.00069 -0.00051 -0.00046 0.00026 -0.00006 68 2S -0.00357 0.01735 -0.00004 0.00807 0.00384 69 3S 0.00020 0.00066 -0.00379 0.00243 0.00932 70 4PX 0.00012 -0.00232 0.00164 0.00020 0.00158 71 4PY 0.00083 0.00260 -0.00371 0.00010 -0.00245 72 4PZ 0.00126 -0.00102 -0.00169 -0.00413 0.00609 73 5PX 0.00079 0.01249 -0.00460 -0.00321 -0.00027 74 5PY -0.00104 -0.00511 0.01339 0.00170 -0.00157 75 5PZ -0.00359 0.00064 0.00668 0.01340 -0.00097 76 6PX 0.00173 -0.00067 -0.00407 0.00301 -0.00066 77 6PY -0.00189 -0.00266 -0.00253 0.00291 -0.00303 78 6PZ 0.00252 -0.00198 -0.00195 0.00017 0.00138 79 7D 0 0.00042 0.00595 0.00539 -0.00990 0.00502 80 7D+1 -0.00212 -0.00019 0.00501 0.00967 -0.00648 81 7D-1 -0.00184 0.00963 0.00259 0.00163 0.00356 82 7D+2 0.00042 0.00621 -0.01202 0.00122 0.00585 83 7D-2 -0.00137 -0.01172 -0.01018 0.01114 -0.00887 84 8D 0 0.00044 0.00232 0.00157 -0.00373 0.00170 85 8D+1 -0.00077 0.00053 0.00178 0.00314 -0.00211 86 8D-1 -0.00075 0.00327 0.00114 0.00016 0.00119 87 8D+2 0.00013 0.00221 -0.00385 0.00054 0.00190 88 8D-2 -0.00058 -0.00400 -0.00401 0.00393 -0.00297 89 5 Cu 1S 0.00027 -0.00075 -0.00029 -0.00031 -0.00070 90 2S -0.00118 0.02988 0.00527 0.00992 -0.00740 91 3S -0.00540 -0.00725 -0.01027 0.00397 -0.01957 92 4PX 0.00035 0.00052 0.00311 0.00246 -0.00372 93 4PY 0.00148 0.00117 -0.00427 -0.00300 -0.00650 94 4PZ 0.00057 0.00430 -0.00288 -0.00126 0.00255 95 5PX 0.00052 0.01068 -0.00503 -0.00253 0.00999 96 5PY -0.00479 -0.00060 0.01242 0.00836 -0.00020 97 5PZ -0.00172 -0.00466 0.00654 0.00595 0.00403 98 6PX -0.00317 0.00866 0.00631 -0.00261 0.00100 99 6PY -0.00399 0.00215 0.00593 -0.00116 0.00022 100 6PZ 0.00679 -0.00150 0.00099 0.00079 -0.00376 101 7D 0 0.00125 -0.04626 -0.00624 0.01091 -0.01196 102 7D+1 0.00636 0.00667 0.00713 -0.02711 -0.00468 103 7D-1 0.00341 0.00129 0.00576 -0.00617 0.00555 104 7D+2 -0.00236 0.01737 0.04282 0.00147 -0.00176 105 7D-2 -0.00419 0.05430 0.02818 0.01245 0.00764 106 8D 0 -0.00001 -0.01555 -0.00210 0.00366 -0.00398 107 8D+1 0.00254 0.00227 0.00242 -0.00891 -0.00209 108 8D-1 0.00144 0.00031 0.00192 -0.00200 0.00185 109 8D+2 -0.00044 0.00593 0.01442 0.00061 -0.00096 110 8D-2 -0.00077 0.01830 0.00947 0.00408 0.00257 111 6 Cu 1S 0.00085 -0.00111 -0.00073 0.00177 -0.00089 112 2S 0.01367 0.01795 -0.02254 -0.02582 -0.00100 113 3S 0.02138 -0.00635 -0.01181 0.00925 -0.01570 114 4PX 0.00111 -0.00105 -0.00082 -0.00518 0.00187 115 4PY -0.00079 0.00034 -0.00003 -0.00044 -0.00190 116 4PZ 0.00013 -0.00633 0.00154 0.00490 0.00314 117 5PX -0.00744 0.00717 0.00819 0.00560 0.00479 118 5PY 0.00249 0.00493 -0.00851 -0.00657 -0.00382 119 5PZ 0.00626 0.00708 -0.01316 0.00060 -0.00063 120 6PX 0.00180 -0.00368 0.00078 -0.00087 -0.00132 121 6PY 0.00147 0.00127 -0.00354 -0.00294 0.00319 122 6PZ 0.00441 -0.00538 0.00338 0.00396 -0.00260 123 7D 0 0.00348 0.01595 0.01193 -0.02028 -0.00949 124 7D+1 -0.01094 -0.02521 -0.01215 0.04173 -0.00705 125 7D-1 -0.00088 -0.01866 -0.00679 0.01442 -0.00575 126 7D+2 0.00292 -0.00089 0.01466 -0.00208 0.00308 127 7D-2 0.00379 -0.00135 0.00061 -0.01695 -0.00414 128 8D 0 -0.00051 0.00449 0.00426 -0.00653 -0.00337 129 8D+1 -0.00202 -0.00802 -0.00452 0.01308 -0.00245 130 8D-1 0.00018 -0.00656 -0.00162 0.00493 -0.00173 131 8D+2 0.00018 0.00007 0.00479 -0.00051 0.00093 132 8D-2 0.00092 -0.00067 0.00017 -0.00562 -0.00162 133 7 Cu 1S 0.00026 -0.00041 -0.00049 0.00066 -0.00013 134 2S -0.00534 -0.01666 0.04887 0.02285 -0.00307 135 3S 0.00110 -0.01419 0.01136 0.02140 -0.00450 136 4PX 0.00029 -0.00413 -0.00076 -0.00041 0.00436 137 4PY 0.00144 0.00083 0.00387 -0.00209 0.00363 138 4PZ 0.00134 -0.00036 0.00002 -0.00406 -0.00011 139 5PX -0.00034 0.00872 -0.00333 -0.00073 0.00259 140 5PY -0.00677 -0.00345 0.01420 0.00525 -0.00108 141 5PZ -0.00440 -0.00117 0.00630 0.00991 -0.00038 142 6PX 0.00168 0.00712 -0.00182 -0.00062 0.00190 143 6PY -0.00087 -0.00029 0.01369 0.00017 -0.00242 144 6PZ 0.00166 0.00133 -0.00038 0.00367 0.00446 145 7D 0 -0.00552 0.00412 -0.03109 0.02875 0.01026 146 7D+1 0.00078 0.01600 -0.00733 -0.00693 -0.00928 147 7D-1 0.00564 0.00139 -0.02738 -0.00396 -0.00097 148 7D+2 -0.00181 -0.01883 -0.06464 0.01535 0.00145 149 7D-2 0.00149 -0.00700 0.01147 0.00054 0.01771 150 8D 0 -0.00205 0.00157 -0.01035 0.00958 0.00336 151 8D+1 0.00028 0.00546 -0.00273 -0.00234 -0.00305 152 8D-1 0.00223 0.00043 -0.00895 -0.00075 -0.00032 153 8D+2 -0.00068 -0.00632 -0.02163 0.00492 0.00047 154 8D-2 0.00058 -0.00177 0.00368 0.00011 0.00606 155 8 C 1S 0.00101 -0.00002 -0.00292 0.00048 -0.00220 156 2S -0.00278 -0.00157 0.00888 0.00050 0.00645 157 3S -0.00608 -0.00271 0.00899 0.00329 -0.00070 158 4PX 0.00034 0.00377 -0.00371 0.00059 0.00590 159 4PY -0.00311 -0.00016 0.00633 0.00551 -0.00801 160 4PZ 0.00331 0.01051 -0.01657 -0.00725 -0.00098 161 5PX -0.00172 0.00261 0.00094 0.00104 0.00017 162 5PY 0.00050 -0.00011 0.00001 0.00102 0.00050 163 5PZ 0.00344 0.00593 -0.01019 -0.00409 0.00067 164 9 O 1S -0.00020 -0.00008 0.00019 0.00038 0.00326 165 2S 0.00032 0.00054 -0.00072 -0.00144 -0.00640 166 3S 0.00234 0.00045 -0.00289 -0.00061 -0.01095 167 4PX -0.00016 -0.00771 -0.00278 0.00392 -0.01089 168 4PY 0.00176 -0.00185 -0.00618 -0.00468 0.01522 169 4PZ -0.00239 -0.01223 0.01495 0.00404 -0.00298 170 5PX 0.00023 -0.00447 -0.00121 0.00083 -0.00311 171 5PY 0.00154 -0.00113 -0.00349 -0.00151 0.00345 172 5PZ -0.00253 -0.00742 0.01007 0.00288 -0.00195 11 12 13 14 15 11 6PY 0.00913 12 6PZ -0.00158 0.00901 13 7D 0 0.01439 0.03288 0.75057 14 7D+1 -0.01409 0.00705 0.00117 0.74344 15 7D-1 0.03088 -0.03889 0.00065 -0.00097 0.75373 16 7D+2 0.01085 -0.00303 0.00018 -0.00509 -0.00244 17 7D-2 -0.02249 -0.01047 0.00171 0.00101 -0.00207 18 8D 0 0.00470 0.01083 0.24811 0.00129 0.00009 19 8D+1 -0.00447 0.00224 0.00135 0.24551 0.00059 20 8D-1 0.01064 -0.01317 0.00014 0.00025 0.24928 21 8D+2 0.00368 -0.00125 -0.00084 -0.00101 0.00039 22 8D-2 -0.00768 -0.00332 -0.00006 -0.00036 0.00005 23 2 Cu 1S 0.00003 0.00049 -0.00027 0.00203 0.00059 24 2S -0.00909 0.00709 0.00238 0.02894 -0.00485 25 3S -0.00985 0.01910 0.04152 0.13639 -0.09380 26 4PX -0.00088 -0.00072 -0.00783 -0.00126 0.00585 27 4PY 0.00430 0.00359 0.00705 0.00856 0.00087 28 4PZ -0.00178 -0.00120 -0.00354 -0.00940 0.00998 29 5PX -0.00286 0.00685 0.02774 0.02742 -0.02897 30 5PY 0.00274 0.00118 -0.01668 -0.03670 -0.01025 31 5PZ -0.00258 0.00622 0.01882 0.03953 -0.03653 32 6PX -0.00055 -0.00134 -0.00286 0.02060 -0.00027 33 6PY 0.00007 0.00009 -0.01092 0.00284 -0.00593 34 6PZ 0.00134 0.00017 0.00030 0.00805 0.00006 35 7D 0 0.00622 -0.00209 0.01448 -0.01183 0.00831 36 7D+1 -0.00657 -0.00266 -0.01042 -0.00201 0.01768 37 7D-1 -0.01875 0.01285 0.00726 0.01607 0.00344 38 7D+2 0.00000 0.01087 -0.00527 0.01062 0.01281 39 7D-2 0.00670 0.00334 0.01850 0.00047 0.00264 40 8D 0 0.00226 -0.00080 0.00058 -0.00395 0.00086 41 8D+1 -0.00223 -0.00047 -0.00081 -0.00073 0.00357 42 8D-1 -0.00620 0.00433 0.00185 0.00335 -0.00018 43 8D+2 -0.00017 0.00395 -0.00228 0.00246 0.00126 44 8D-2 0.00191 0.00129 0.00338 0.00008 -0.00073 45 3 Cu 1S 0.00073 -0.00019 -0.00154 0.00027 0.00322 46 2S 0.01114 -0.00634 -0.01270 0.00009 0.01933 47 3S 0.01536 -0.01461 -0.00936 -0.00268 0.08389 48 4PX -0.00019 0.00501 -0.00071 -0.00231 -0.00058 49 4PY -0.00352 0.00202 -0.00078 0.00040 -0.00019 50 4PZ 0.00028 -0.00123 -0.00182 0.00085 0.00205 51 5PX 0.00103 -0.00114 0.00273 0.00514 -0.00151 52 5PY 0.00019 0.00330 0.00746 -0.00209 -0.01811 53 5PZ 0.00414 -0.00175 0.00839 0.00102 0.01141 54 6PX -0.00023 0.00166 -0.00532 0.00399 -0.00402 55 6PY -0.00229 0.00149 0.00747 -0.00031 -0.00564 56 6PZ -0.00155 -0.00209 0.00273 0.00174 0.00265 57 7D 0 -0.01085 -0.00585 0.00022 0.00352 0.00452 58 7D+1 0.00941 0.00417 -0.00186 0.00038 -0.00267 59 7D-1 -0.00159 -0.00920 -0.00002 -0.00123 -0.00601 60 7D+2 -0.00301 -0.00810 0.00612 -0.00119 -0.00138 61 7D-2 -0.00101 -0.00046 -0.00142 -0.00048 -0.00111 62 8D 0 -0.00352 -0.00190 0.00047 0.00133 0.00167 63 8D+1 0.00323 0.00132 -0.00070 0.00091 -0.00106 64 8D-1 -0.00068 -0.00296 0.00060 -0.00092 -0.00385 65 8D+2 -0.00103 -0.00271 0.00297 -0.00031 -0.00147 66 8D-2 -0.00024 -0.00014 -0.00077 -0.00012 -0.00077 67 4 Cu 1S 0.00058 -0.00069 0.00128 0.00154 0.00147 68 2S 0.01117 -0.00754 0.01055 0.01131 0.00617 69 3S 0.01483 -0.01549 0.01736 0.02001 0.06669 70 4PX 0.00062 0.00242 -0.00015 -0.00105 0.00058 71 4PY -0.00308 -0.00082 -0.00217 0.00009 -0.00067 72 4PZ 0.00116 0.00087 -0.00238 0.00147 0.00136 73 5PX -0.00348 0.00421 0.00262 0.00108 -0.01469 74 5PY -0.00001 0.00542 0.00286 -0.00673 -0.01723 75 5PZ 0.00077 -0.00025 0.00912 -0.00089 0.00074 76 6PX 0.00036 -0.00125 -0.00537 -0.00328 0.00558 77 6PY -0.00082 0.00050 0.00241 -0.00920 -0.00581 78 6PZ 0.00067 -0.00144 0.00269 -0.00690 0.00419 79 7D 0 -0.00467 -0.00705 -0.00136 -0.00469 -0.00472 80 7D+1 0.01251 0.00020 0.00057 -0.00256 -0.00100 81 7D-1 0.00191 0.00424 -0.00109 -0.00168 -0.00039 82 7D+2 -0.00713 -0.01299 -0.00331 -0.00067 -0.00059 83 7D-2 0.00009 0.00109 0.00171 0.00213 0.00295 84 8D 0 -0.00163 -0.00222 -0.00019 -0.00215 -0.00255 85 8D+1 0.00416 -0.00005 -0.00065 -0.00068 -0.00040 86 8D-1 0.00049 0.00148 -0.00063 -0.00120 -0.00014 87 8D+2 -0.00233 -0.00444 -0.00136 -0.00031 -0.00042 88 8D-2 0.00009 0.00004 0.00031 0.00137 0.00241 89 5 Cu 1S 0.00000 -0.00060 -0.00005 0.00200 0.00049 90 2S -0.00964 -0.00038 -0.00826 0.02275 0.00387 91 3S -0.01270 -0.00166 -0.06170 0.07913 -0.02469 92 4PX 0.00087 -0.00572 -0.00730 0.00140 0.00266 93 4PY 0.00360 -0.00579 -0.00660 0.00248 0.00026 94 4PZ 0.00008 0.00611 -0.00360 -0.00678 -0.00317 95 5PX 0.00439 0.00220 0.02580 -0.01528 -0.01140 96 5PY 0.00366 0.00218 0.02950 -0.01916 -0.00219 97 5PZ 0.00258 0.00187 0.02812 0.01321 0.01394 98 6PX -0.00184 0.00094 -0.00016 -0.01122 -0.00773 99 6PY 0.00113 0.00436 0.01272 0.00879 -0.00847 100 6PZ 0.00173 -0.00186 -0.00019 -0.02229 0.01577 101 7D 0 0.00175 0.00189 -0.00853 0.00677 0.00451 102 7D+1 -0.00922 -0.00231 0.00639 0.02048 0.01338 103 7D-1 -0.01232 0.02437 0.00462 0.01667 -0.00074 104 7D+2 0.00219 0.01152 0.00611 -0.00056 -0.00303 105 7D-2 0.01411 -0.01108 0.00504 -0.00590 -0.00050 106 8D 0 0.00043 0.00073 -0.00224 0.00232 0.00158 107 8D+1 -0.00340 -0.00087 -0.00076 0.00316 0.00162 108 8D-1 -0.00383 0.00794 0.00022 0.00317 -0.00023 109 8D+2 0.00070 0.00366 0.00288 0.00036 0.00067 110 8D-2 0.00477 -0.00377 0.00105 -0.00113 -0.00069 111 6 Cu 1S 0.00062 0.00085 -0.00010 -0.00031 0.00054 112 2S -0.00272 0.00230 0.00913 -0.02284 0.00062 113 3S -0.00397 0.01933 0.07314 -0.14595 -0.03869 114 4PX 0.00042 0.00345 0.00819 -0.00554 -0.00107 115 4PY 0.00293 0.00252 0.00339 -0.00464 0.00249 116 4PZ -0.00087 -0.00074 -0.00414 0.01187 0.00364 117 5PX 0.00405 -0.00162 -0.03681 0.04228 0.00323 118 5PY 0.00089 0.00627 -0.00192 0.01471 -0.04225 119 5PZ -0.00650 0.00492 0.04385 -0.06621 -0.01629 120 6PX 0.00093 0.00121 0.01108 -0.00205 -0.00256 121 6PY -0.00829 -0.00307 0.00056 -0.00271 -0.01513 122 6PZ 0.00456 0.00279 0.00350 -0.00606 0.01492 123 7D 0 -0.00328 -0.00587 0.00987 0.01276 0.00527 124 7D+1 -0.00640 0.00169 0.01371 -0.00856 -0.01209 125 7D-1 -0.01208 0.00300 0.00242 -0.00968 0.01446 126 7D+2 -0.00403 0.01323 -0.00893 -0.00795 0.00918 127 7D-2 0.00700 -0.00429 -0.01174 0.00190 -0.01219 128 8D 0 -0.00082 -0.00184 0.00120 0.00184 0.00009 129 8D+1 -0.00198 0.00057 0.00170 -0.00135 -0.00331 130 8D-1 -0.00416 0.00093 0.00077 -0.00133 0.00229 131 8D+2 -0.00099 0.00451 -0.00126 -0.00106 0.00170 132 8D-2 0.00262 -0.00128 -0.00112 0.00087 -0.00233 133 7 Cu 1S -0.00008 0.00014 -0.00015 -0.00045 -0.00007 134 2S -0.00348 0.00410 -0.00359 -0.01354 -0.00432 135 3S -0.01368 0.00655 -0.05519 -0.04857 -0.03976 136 4PX -0.00256 0.00026 -0.00194 -0.00074 -0.00082 137 4PY -0.00449 -0.00465 -0.00903 0.00034 -0.00472 138 4PZ 0.00472 0.00445 0.00081 0.00029 -0.00494 139 5PX -0.00192 0.00090 0.00782 0.00952 -0.01161 140 5PY 0.00868 0.00091 0.04704 -0.00372 0.00409 141 5PZ 0.00312 0.00183 0.01026 -0.00300 0.02361 142 6PX 0.00026 0.00241 -0.01296 -0.00145 -0.00844 143 6PY 0.00356 0.00338 -0.00225 0.00524 -0.00645 144 6PZ -0.00299 -0.00264 0.00468 0.00529 -0.00033 145 7D 0 -0.00520 -0.00902 -0.00694 0.00006 -0.01219 146 7D+1 -0.00080 0.01745 0.00037 -0.00873 0.00200 147 7D-1 -0.00923 0.01824 -0.01066 0.00228 0.02244 148 7D+2 -0.01201 -0.00732 -0.00495 -0.00364 -0.00814 149 7D-2 0.00530 -0.00117 -0.00208 -0.00715 0.00221 150 8D 0 -0.00177 -0.00298 -0.00148 -0.00001 -0.00234 151 8D+1 -0.00027 0.00573 0.00059 -0.00239 0.00096 152 8D-1 -0.00327 0.00618 -0.00374 0.00105 0.00311 153 8D+2 -0.00406 -0.00240 -0.00076 -0.00128 -0.00223 154 8D-2 0.00188 -0.00036 -0.00107 -0.00272 0.00070 155 8 C 1S -0.00094 0.00264 0.00039 -0.00206 0.00254 156 2S 0.00044 -0.00679 -0.00135 0.00347 -0.00347 157 3S 0.00612 -0.00121 0.00434 0.01487 -0.03449 158 4PX -0.01030 -0.00612 -0.00163 0.00288 0.00270 159 4PY 0.00878 0.00337 -0.00256 0.00853 -0.00403 160 4PZ 0.00008 0.00133 -0.00285 -0.00216 0.00103 161 5PX -0.00049 -0.00043 -0.00091 0.00503 0.00460 162 5PY 0.00067 -0.00043 0.01208 -0.01211 -0.00262 163 5PZ -0.00162 0.00014 -0.00156 0.00120 -0.00095 164 9 O 1S -0.00478 -0.00294 -0.00020 0.00046 -0.00054 165 2S 0.00909 0.00575 -0.00024 0.00031 0.00116 166 3S 0.01255 0.00939 0.00428 -0.00928 0.00548 167 4PX -0.00069 0.00146 0.00310 -0.00460 -0.00009 168 4PY -0.02230 -0.01579 0.00244 -0.00600 0.00454 169 4PZ 0.00766 0.00027 0.00192 0.00609 -0.00253 170 5PX -0.00175 -0.00074 0.00015 -0.00183 -0.00144 171 5PY -0.00712 -0.00433 -0.00042 -0.00329 0.00436 172 5PZ 0.00409 0.00029 0.00123 0.00317 -0.00211 16 17 18 19 20 16 7D+2 0.74856 17 7D-2 -0.00049 0.75178 18 8D 0 -0.00085 -0.00004 0.08211 19 8D+1 -0.00093 -0.00046 0.00077 0.08114 20 8D-1 0.00024 0.00002 0.00002 0.00041 0.08262 21 8D+2 0.24731 -0.00066 -0.00061 -0.00009 0.00049 22 8D-2 -0.00052 0.24905 -0.00020 -0.00038 0.00023 23 2 Cu 1S 0.00142 -0.00019 0.00008 0.00088 0.00006 24 2S 0.01300 -0.00485 0.00032 0.00968 -0.00217 25 3S 0.04039 -0.01274 0.01407 0.04566 -0.03114 26 4PX 0.00493 0.00117 -0.00213 0.00032 0.00132 27 4PY 0.00200 0.00054 0.00161 0.00198 0.00138 28 4PZ -0.00188 0.00810 0.00055 -0.00134 0.00167 29 5PX -0.01810 -0.00833 0.00927 0.00931 -0.00972 30 5PY -0.00270 -0.00276 -0.00556 -0.01237 -0.00332 31 5PZ 0.02250 -0.03029 0.00635 0.01325 -0.01243 32 6PX 0.01579 0.01461 -0.00084 0.00697 0.00013 33 6PY 0.01019 0.00832 -0.00342 0.00093 -0.00226 34 6PZ 0.00273 -0.01444 0.00002 0.00278 0.00052 35 7D 0 -0.00157 0.01569 0.00090 -0.00415 0.00033 36 7D+1 0.01177 0.00343 -0.00103 -0.00160 0.00337 37 7D-1 0.01299 0.00353 0.00149 0.00336 0.00016 38 7D+2 0.00799 -0.00054 -0.00284 0.00206 0.00164 39 7D-2 0.00008 -0.00150 0.00332 0.00011 0.00001 40 8D 0 0.00110 0.00169 -0.00111 -0.00140 -0.00052 41 8D+1 0.00180 0.00157 0.00054 -0.00055 0.00034 42 8D-1 0.00275 -0.00040 0.00031 0.00046 -0.00039 43 8D+2 0.00126 -0.00174 -0.00113 0.00033 -0.00048 44 8D-2 0.00059 -0.00092 0.00017 0.00001 -0.00056 45 3 Cu 1S 0.00141 -0.00006 -0.00056 0.00015 0.00113 46 2S 0.00908 0.00255 -0.00466 -0.00017 0.00854 47 3S 0.03103 -0.03669 -0.00377 -0.00055 0.02998 48 4PX 0.00076 0.00121 -0.00027 -0.00083 -0.00018 49 4PY -0.00274 0.00060 -0.00047 0.00023 -0.00018 50 4PZ -0.00105 0.00093 -0.00083 0.00026 0.00043 51 5PX -0.00514 -0.00873 0.00093 0.00147 -0.00046 52 5PY 0.00137 0.01033 0.00279 -0.00079 -0.00624 53 5PZ 0.00957 -0.01135 0.00276 0.00041 0.00455 54 6PX 0.00129 0.00332 -0.00181 0.00128 -0.00154 55 6PY 0.00049 0.00329 0.00250 -0.00012 -0.00178 56 6PZ 0.00753 0.00474 0.00094 0.00062 0.00066 57 7D 0 -0.00034 0.00049 0.00072 0.00143 0.00178 58 7D+1 0.00012 -0.00384 -0.00071 0.00077 -0.00078 59 7D-1 -0.00486 0.00015 0.00092 -0.00111 -0.00385 60 7D+2 -0.00228 0.00348 0.00281 -0.00030 -0.00116 61 7D-2 -0.00134 0.00099 -0.00081 0.00001 -0.00068 62 8D 0 0.00054 0.00003 0.00037 0.00053 0.00067 63 8D+1 -0.00027 -0.00208 -0.00029 0.00051 -0.00032 64 8D-1 -0.00200 0.00063 0.00049 -0.00054 -0.00193 65 8D+2 -0.00073 0.00155 0.00129 -0.00007 -0.00071 66 8D-2 -0.00029 0.00091 -0.00038 0.00003 -0.00036 67 4 Cu 1S 0.00023 -0.00283 0.00041 0.00057 0.00053 68 2S -0.00053 -0.01755 0.00418 0.00408 0.00330 69 3S 0.01062 -0.05457 0.00656 0.00775 0.02304 70 4PX 0.00167 0.00220 -0.00010 -0.00042 0.00041 71 4PY -0.00212 -0.00002 -0.00071 0.00035 -0.00024 72 4PZ 0.00007 -0.00079 -0.00089 0.00054 0.00063 73 5PX -0.01006 0.00084 0.00092 0.00039 -0.00521 74 5PY 0.00550 0.01081 0.00047 -0.00271 -0.00605 75 5PZ 0.00569 -0.00710 0.00295 -0.00006 -0.00004 76 6PX -0.00820 0.00131 -0.00176 -0.00111 0.00215 77 6PY 0.00905 0.00427 0.00076 -0.00309 -0.00176 78 6PZ 0.00641 -0.00484 0.00083 -0.00228 0.00158 79 7D 0 0.00205 -0.00143 -0.00041 -0.00207 -0.00253 80 7D+1 -0.00124 0.00497 -0.00039 -0.00067 -0.00008 81 7D-1 0.00066 0.00202 -0.00074 -0.00149 0.00013 82 7D+2 0.00099 -0.00077 -0.00142 -0.00052 -0.00041 83 7D-2 0.00474 -0.00486 0.00039 0.00156 0.00237 84 8D 0 0.00102 -0.00020 -0.00007 -0.00091 -0.00120 85 8D+1 -0.00073 0.00231 -0.00040 -0.00017 -0.00004 86 8D-1 0.00031 0.00125 -0.00033 -0.00073 0.00002 87 8D+2 0.00118 0.00048 -0.00057 -0.00021 -0.00021 88 8D-2 0.00183 -0.00282 0.00005 0.00073 0.00128 89 5 Cu 1S 0.00145 -0.00011 -0.00019 0.00069 0.00024 90 2S 0.01896 0.01152 -0.00227 0.00800 0.00010 91 3S 0.09164 0.11172 -0.02071 0.02638 -0.00771 92 4PX 0.00481 0.01450 -0.00079 0.00029 0.00060 93 4PY 0.00937 0.00179 -0.00119 0.00075 -0.00029 94 4PZ -0.00033 0.00048 -0.00135 -0.00251 -0.00117 95 5PX -0.03422 -0.06048 0.00867 -0.00515 -0.00376 96 5PY -0.02899 -0.00060 0.00990 -0.00651 -0.00067 97 5PZ 0.00003 -0.01081 0.00936 0.00425 0.00462 98 6PX -0.01086 -0.00543 -0.00010 -0.00391 -0.00310 99 6PY -0.00050 0.00247 0.00404 0.00270 -0.00285 100 6PZ -0.01133 0.00495 0.00006 -0.00734 0.00508 101 7D 0 0.00304 0.00674 -0.00198 0.00284 0.00206 102 7D+1 -0.00068 -0.00765 0.00003 0.00312 0.00114 103 7D-1 -0.00428 -0.00089 0.00022 0.00281 -0.00052 104 7D+2 0.01343 -0.02156 0.00305 0.00004 0.00008 105 7D-2 -0.02084 -0.00316 0.00077 -0.00157 -0.00082 106 8D 0 -0.00008 0.00263 -0.00045 0.00098 0.00070 107 8D+1 0.00092 -0.00176 -0.00095 -0.00017 -0.00060 108 8D-1 -0.00073 -0.00068 -0.00038 0.00014 -0.00012 109 8D+2 0.00096 -0.00241 0.00130 0.00019 0.00059 110 8D-2 -0.00443 -0.00214 0.00004 -0.00025 -0.00044 111 6 Cu 1S -0.00021 -0.00035 -0.00008 -0.00007 0.00029 112 2S -0.00580 -0.00091 0.00303 -0.00739 0.00019 113 3S 0.00495 0.02173 0.02403 -0.04903 -0.01322 114 4PX -0.00052 0.00283 0.00261 -0.00098 -0.00002 115 4PY 0.00151 -0.00167 0.00088 -0.00120 0.00159 116 4PZ -0.00345 -0.00105 -0.00042 0.00303 0.00076 117 5PX -0.01280 -0.02473 -0.01194 0.01400 0.00126 118 5PY 0.00259 0.02774 -0.00073 0.00476 -0.01383 119 5PZ 0.02480 -0.00096 0.01464 -0.02173 -0.00616 120 6PX 0.00538 0.01076 0.00365 -0.00071 -0.00077 121 6PY 0.00036 0.00918 0.00026 -0.00104 -0.00533 122 6PZ -0.00471 -0.00281 0.00113 -0.00196 0.00512 123 7D 0 -0.01197 -0.01271 0.00076 0.00331 0.00025 124 7D+1 -0.00464 0.00340 0.00312 -0.00299 -0.00231 125 7D-1 0.00665 -0.01281 0.00080 -0.00156 0.00287 126 7D+2 0.00030 -0.00100 -0.00211 -0.00119 0.00197 127 7D-2 -0.00149 0.00228 -0.00209 0.00074 -0.00225 128 8D 0 -0.00128 -0.00342 -0.00042 0.00030 -0.00045 129 8D+1 -0.00089 0.00046 0.00009 -0.00049 -0.00053 130 8D-1 0.00077 -0.00224 0.00027 0.00007 0.00014 131 8D+2 -0.00016 0.00073 -0.00013 0.00011 0.00025 132 8D-2 -0.00072 0.00042 0.00020 0.00033 -0.00016 133 7 Cu 1S -0.00066 -0.00015 -0.00006 -0.00021 -0.00013 134 2S -0.01538 -0.00085 -0.00126 -0.00489 -0.00223 135 3S -0.13889 0.00811 -0.01824 -0.01751 -0.01434 136 4PX -0.00022 -0.00625 -0.00050 -0.00020 -0.00023 137 4PY -0.01561 0.00138 -0.00189 0.00013 -0.00091 138 4PZ 0.00346 -0.00067 -0.00015 0.00002 -0.00227 139 5PX -0.01058 0.01261 0.00288 0.00312 -0.00401 140 5PY 0.07645 0.00474 0.01565 -0.00119 0.00180 141 5PZ -0.00245 -0.01238 0.00346 -0.00074 0.00780 142 6PX -0.01381 -0.00905 -0.00422 -0.00055 -0.00303 143 6PY 0.00015 0.00469 -0.00081 0.00173 -0.00248 144 6PZ 0.02147 -0.00673 0.00163 0.00193 -0.00007 145 7D 0 -0.00542 -0.00071 -0.00201 0.00038 -0.00099 146 7D+1 -0.00325 -0.00675 0.00071 -0.00279 0.00048 147 7D-1 -0.00444 0.00240 -0.00284 0.00072 0.00345 148 7D+2 -0.01841 0.00555 -0.00136 -0.00079 -0.00069 149 7D-2 0.00321 0.02652 -0.00121 -0.00226 0.00053 150 8D 0 -0.00153 0.00071 -0.00037 0.00014 0.00023 151 8D+1 -0.00055 -0.00117 0.00040 -0.00076 0.00029 152 8D-1 -0.00091 0.00082 -0.00102 0.00033 -0.00030 153 8D+2 -0.00408 0.00097 -0.00017 -0.00028 -0.00008 154 8D-2 0.00165 0.00433 -0.00053 -0.00087 0.00015 155 8 C 1S -0.00053 -0.00175 0.00011 -0.00055 0.00064 156 2S 0.00075 0.00248 -0.00044 0.00114 -0.00109 157 3S 0.01057 0.02533 0.00122 0.00486 -0.01102 158 4PX -0.00106 -0.00629 -0.00016 0.00107 0.00083 159 4PY 0.00202 0.00090 -0.00114 0.00281 -0.00089 160 4PZ -0.00998 -0.00594 -0.00080 -0.00035 0.00011 161 5PX -0.00382 -0.00376 -0.00021 0.00170 0.00150 162 5PY 0.00647 0.00262 0.00401 -0.00399 -0.00077 163 5PZ -0.00857 -0.00237 -0.00046 0.00048 -0.00036 164 9 O 1S -0.00006 0.00020 -0.00013 0.00010 0.00001 165 2S -0.00032 -0.00035 0.00007 0.00015 0.00001 166 3S 0.00195 -0.00294 0.00141 -0.00302 0.00154 167 4PX -0.00010 0.00443 0.00076 -0.00159 0.00026 168 4PY -0.00164 -0.00071 0.00108 -0.00197 0.00127 169 4PZ 0.00632 0.00772 0.00055 0.00220 -0.00053 170 5PX 0.00065 0.00355 -0.00005 -0.00065 -0.00040 171 5PY -0.00239 -0.00224 -0.00013 -0.00109 0.00141 172 5PZ 0.00600 0.00558 0.00032 0.00108 -0.00053 21 22 23 24 25 21 8D+2 0.08179 22 8D-2 -0.00038 0.08265 23 2 Cu 1S 0.00048 -0.00023 1.00535 24 2S 0.00459 -0.00053 0.00734 0.17689 25 3S 0.01358 -0.00484 0.00672 0.08060 0.21025 26 4PX 0.00177 -0.00016 -0.00308 -0.01964 0.03709 27 4PY 0.00079 0.00111 -0.00071 -0.00391 0.00937 28 4PZ -0.00066 0.00176 -0.00102 -0.00566 0.01281 29 5PX -0.00592 -0.00281 0.00243 0.02695 0.06076 30 5PY -0.00092 -0.00093 0.00063 0.00488 0.01758 31 5PZ 0.00746 -0.01013 0.00078 0.00652 0.02320 32 6PX 0.00529 0.00455 0.00134 -0.00976 0.01703 33 6PY 0.00322 0.00262 0.00019 -0.00930 0.00443 34 6PZ 0.00117 -0.00498 0.00043 -0.00836 0.00779 35 7D 0 0.00055 0.00161 0.00024 0.00127 0.00728 36 7D+1 0.00145 0.00224 -0.00012 -0.00167 -0.03864 37 7D-1 0.00290 0.00000 0.00009 0.01001 0.08038 38 7D+2 0.00140 -0.00130 -0.00056 -0.00393 -0.03575 39 7D-2 0.00106 -0.00103 -0.00001 -0.00246 -0.04174 40 8D 0 0.00073 -0.00067 0.00002 -0.00012 0.00187 41 8D+1 -0.00023 0.00090 -0.00002 0.00111 -0.01155 42 8D-1 0.00045 -0.00054 0.00015 0.00228 0.02619 43 8D+2 0.00000 -0.00094 -0.00013 0.00016 -0.01066 44 8D-2 0.00055 -0.00045 -0.00002 0.00089 -0.01263 45 3 Cu 1S 0.00048 -0.00003 -0.00122 -0.00334 -0.00034 46 2S 0.00373 0.00048 -0.00346 0.07968 0.00745 47 3S 0.01141 -0.01196 -0.00041 0.00600 -0.06085 48 4PX 0.00026 0.00068 0.00067 0.00968 0.00883 49 4PY -0.00081 0.00020 0.00148 0.01373 0.00741 50 4PZ -0.00048 0.00037 -0.00081 -0.00516 -0.00151 51 5PX -0.00172 -0.00333 0.00067 -0.02393 0.00270 52 5PY -0.00016 0.00352 0.00072 -0.02237 0.00457 53 5PZ 0.00314 -0.00364 -0.00033 0.00045 -0.01028 54 6PX 0.00038 0.00134 0.00075 0.00447 0.01266 55 6PY 0.00020 0.00099 0.00032 0.00940 0.01742 56 6PZ 0.00253 0.00173 0.00013 -0.00630 -0.00859 57 7D 0 0.00036 0.00027 -0.00105 -0.01268 -0.05058 58 7D+1 -0.00009 -0.00217 0.00008 -0.00417 -0.02719 59 7D-1 -0.00204 0.00045 0.00068 -0.00229 -0.08128 60 7D+2 -0.00108 0.00154 0.00142 0.01142 0.02363 61 7D-2 -0.00024 0.00113 0.00188 0.02630 0.13680 62 8D 0 0.00033 0.00005 -0.00043 -0.00401 -0.01727 63 8D+1 -0.00013 -0.00102 -0.00014 -0.00037 -0.00962 64 8D-1 -0.00083 0.00035 0.00012 -0.00141 -0.02698 65 8D+2 -0.00036 0.00067 0.00043 0.00418 0.00785 66 8D-2 -0.00002 0.00056 0.00087 0.00878 0.04566 67 4 Cu 1S 0.00009 -0.00099 0.00035 -0.00135 -0.00140 68 2S 0.00001 -0.00761 -0.00134 -0.05501 -0.00916 69 3S 0.00401 -0.02006 -0.00138 -0.00909 0.02960 70 4PX 0.00081 0.00063 -0.00094 0.00426 -0.00586 71 4PY -0.00079 0.00011 -0.00062 -0.00182 0.00134 72 4PZ -0.00007 -0.00009 0.00040 0.00752 -0.00450 73 5PX -0.00336 0.00091 0.00076 -0.00917 0.00266 74 5PY 0.00166 0.00377 0.00060 0.00410 0.00127 75 5PZ 0.00202 -0.00273 0.00020 -0.01706 -0.00249 76 6PX -0.00270 0.00030 -0.00057 -0.01209 -0.01696 77 6PY 0.00301 0.00133 -0.00039 -0.00640 -0.01530 78 6PZ 0.00222 -0.00166 0.00033 0.00754 0.00302 79 7D 0 0.00074 -0.00028 0.00172 0.00972 0.03437 80 7D+1 -0.00081 0.00216 -0.00090 -0.00776 -0.00693 81 7D-1 0.00026 0.00138 -0.00067 -0.00723 0.02589 82 7D+2 0.00118 0.00007 -0.00191 -0.01394 -0.04459 83 7D-2 0.00174 -0.00291 -0.00252 -0.01384 -0.07391 84 8D 0 0.00039 -0.00002 0.00063 0.00420 0.01286 85 8D+1 -0.00038 0.00096 -0.00031 -0.00314 -0.00264 86 8D-1 0.00011 0.00066 -0.00026 -0.00212 0.00818 87 8D+2 0.00068 0.00025 -0.00061 -0.00578 -0.01616 88 8D-2 0.00069 -0.00140 -0.00091 -0.00616 -0.02601 89 5 Cu 1S 0.00065 0.00019 0.00040 -0.00128 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0.01440 164 9 O 1S 0.00204 -0.00336 0.00025 1.05933 165 2S -0.00131 0.00215 -0.00027 -0.12965 0.30261 166 3S 0.00457 -0.00755 -0.00048 -0.12452 0.26258 167 4PX 0.03221 -0.00053 -0.00360 -0.00981 0.01703 168 4PY -0.00054 0.03242 0.00640 0.01602 -0.02777 169 4PZ -0.00292 0.00529 0.02196 0.00307 -0.00601 170 5PX 0.00889 0.00281 -0.00111 -0.00895 0.02144 171 5PY 0.00280 0.00585 0.00218 0.01463 -0.03504 172 5PZ -0.00094 0.00190 0.00334 0.00240 -0.00600 166 167 168 169 170 166 3S 0.26988 167 4PX 0.08036 0.41859 168 4PY -0.13124 -0.00718 0.42641 169 4PZ -0.02334 0.00285 -0.00569 0.43427 170 5PX 0.02975 0.14196 0.03540 0.00763 0.05370 171 5PY -0.04849 0.03547 0.10589 -0.01308 0.01956 172 5PZ -0.01024 0.00658 -0.01134 0.17371 0.00418 171 172 171 5PY 0.03383 172 5PZ -0.00720 0.07205 BETA DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.00537 2 2S 0.00759 0.17699 3 3S 0.00632 0.08792 0.20334 4 4PX -0.00131 -0.00744 0.01466 0.99683 5 4PY -0.00227 -0.01470 0.02670 0.00029 0.99621 6 4PZ 0.00214 0.01239 -0.02420 0.00063 -0.00033 7 5PX 0.00102 0.00990 0.02321 0.01604 0.00161 8 5PY 0.00179 0.02305 0.04912 0.00172 0.02050 9 5PZ -0.00163 -0.01645 -0.03726 -0.00367 -0.00294 10 6PX 0.00044 -0.00225 0.00670 -0.01734 0.00289 11 6PY 0.00095 -0.01622 0.01053 0.00306 -0.00440 12 6PZ -0.00080 0.00398 -0.01042 -0.00855 -0.00588 13 7D 0 -0.00009 0.00026 -0.00129 -0.00145 0.00118 14 7D+1 0.00022 -0.00573 -0.04643 0.00050 -0.00055 15 7D-1 0.00023 0.00505 0.06823 0.00033 -0.00101 16 7D+2 0.00008 -0.00331 -0.03307 -0.00053 0.00147 17 7D-2 -0.00020 -0.00414 -0.05270 0.00054 0.00089 18 8D 0 0.00000 -0.00016 -0.00056 -0.00030 0.00025 19 8D+1 -0.00015 -0.00122 -0.01522 -0.00026 -0.00051 20 8D-1 0.00004 -0.00140 0.02023 -0.00019 -0.00081 21 8D+2 -0.00008 -0.00138 -0.01133 -0.00014 -0.00007 22 8D-2 -0.00006 0.00065 -0.01596 0.00037 0.00056 23 2 Cu 1S -0.00120 -0.00321 -0.00006 0.00040 -0.00085 24 2S -0.00337 0.07922 0.00959 0.00826 -0.00644 25 3S -0.00011 0.01078 -0.05824 0.00821 -0.00194 26 4PX -0.00123 -0.00792 -0.00120 0.00005 0.00038 27 4PY 0.00056 0.00719 0.00626 -0.00091 0.00005 28 4PZ -0.00126 -0.01396 -0.01064 0.00138 0.00000 29 5PX -0.00019 0.00624 -0.00753 -0.00078 -0.00033 30 5PY 0.00036 -0.01786 -0.00210 0.00161 0.00071 31 5PZ -0.00074 0.02764 -0.00540 -0.00113 -0.00266 32 6PX 0.00018 -0.00575 -0.01138 0.00581 -0.00037 33 6PY 0.00067 0.00151 0.00938 0.00675 0.00288 34 6PZ -0.00066 -0.01152 -0.01792 -0.00699 0.00067 35 7D 0 0.00096 0.01466 0.06726 0.00931 -0.00780 36 7D+1 -0.00052 0.00488 0.08817 0.00303 -0.00685 37 7D-1 -0.00186 -0.02644 -0.12923 -0.00677 -0.00277 38 7D+2 -0.00129 -0.00873 0.00345 -0.00339 -0.00337 39 7D-2 0.00012 -0.00344 -0.00972 -0.00088 -0.00047 40 8D 0 0.00049 0.00446 0.02278 0.00232 -0.00236 41 8D+1 0.00004 0.00191 0.02931 -0.00058 -0.00157 42 8D-1 -0.00078 -0.00939 -0.04314 -0.00135 -0.00163 43 8D+2 -0.00043 -0.00233 0.00116 -0.00143 -0.00118 44 8D-2 -0.00011 0.00012 -0.00369 0.00074 -0.00065 45 3 Cu 1S 0.00037 -0.00151 -0.00126 0.00049 0.00096 46 2S -0.00147 -0.05683 -0.01619 0.00710 -0.00086 47 3S -0.00116 -0.01858 0.02446 -0.00333 0.00183 48 4PX 0.00026 0.00756 -0.00465 0.00106 0.00009 49 4PY -0.00045 0.00440 -0.00541 0.00050 -0.00035 50 4PZ 0.00103 -0.00049 0.00181 0.00025 0.00065 51 5PX 0.00003 -0.01711 -0.00244 -0.00300 -0.00041 52 5PY 0.00061 -0.00898 0.00147 -0.00142 0.00034 53 5PZ -0.00050 -0.00058 -0.00323 -0.00118 0.00047 54 6PX 0.00038 0.00234 0.00536 0.00421 0.00064 55 6PY -0.00025 -0.00230 -0.01168 0.00390 -0.00135 56 6PZ 0.00065 0.01648 0.01924 -0.00026 0.00050 57 7D 0 -0.00103 -0.00820 -0.04171 0.00154 -0.00059 58 7D+1 0.00075 0.00910 -0.01539 0.00088 0.00170 59 7D-1 0.00297 0.01599 0.07338 0.00026 0.00100 60 7D+2 0.00163 0.01114 0.01898 0.00094 0.00023 61 7D-2 -0.00059 -0.00611 -0.01369 -0.00167 -0.00016 62 8D 0 -0.00033 -0.00322 -0.01465 0.00055 0.00011 63 8D+1 0.00025 0.00291 -0.00456 0.00057 0.00047 64 8D-1 0.00105 0.00744 0.02657 0.00000 0.00023 65 8D+2 0.00059 0.00429 0.00733 0.00026 0.00024 66 8D-2 -0.00016 -0.00254 -0.00472 -0.00065 -0.00009 67 4 Cu 1S 0.00039 -0.00142 -0.00082 0.00025 0.00093 68 2S -0.00139 -0.05583 -0.01472 -0.00730 -0.00177 69 3S -0.00081 -0.01606 0.02479 0.00831 0.00295 70 4PX -0.00102 -0.00278 -0.00044 0.00034 -0.00055 71 4PY -0.00058 0.00364 -0.00717 -0.00088 -0.00044 72 4PZ 0.00015 -0.00756 0.00491 0.00114 0.00031 73 5PX 0.00035 0.00751 0.00453 -0.00295 -0.00067 74 5PY 0.00051 -0.00755 0.00214 0.00007 0.00024 75 5PZ -0.00029 0.01652 0.00213 -0.00305 0.00018 76 6PX -0.00070 -0.01472 -0.01697 0.00001 -0.00057 77 6PY -0.00039 -0.00486 -0.01498 -0.00381 -0.00189 78 6PZ -0.00014 0.00369 0.00278 0.00561 0.00023 79 7D 0 0.00091 0.00419 0.03566 0.00153 -0.00060 80 7D+1 0.00170 0.01492 0.01856 0.00024 0.00168 81 7D-1 0.00195 0.01341 0.04016 -0.00051 0.00052 82 7D+2 0.00075 0.00490 -0.00974 -0.00062 0.00029 83 7D-2 -0.00236 -0.01110 -0.06345 -0.00143 -0.00088 84 8D 0 0.00033 0.00188 0.01244 0.00042 -0.00011 85 8D+1 0.00058 0.00545 0.00746 -0.00003 0.00035 86 8D-1 0.00065 0.00591 0.01454 -0.00007 0.00017 87 8D+2 0.00028 0.00163 -0.00276 -0.00047 0.00033 88 8D-2 -0.00084 -0.00537 -0.02291 -0.00058 -0.00015 89 5 Cu 1S -0.00119 -0.00324 0.00001 -0.00164 -0.00095 90 2S -0.00323 0.07930 0.01170 -0.01560 -0.00785 91 3S 0.00001 0.01132 -0.05907 -0.01072 -0.00331 92 4PX 0.00162 0.01527 0.00956 0.00099 -0.00002 93 4PY 0.00078 0.00852 0.00757 0.00128 0.00015 94 4PZ 0.00071 0.00172 -0.00293 -0.00057 -0.00041 95 5PX 0.00072 -0.02562 0.00909 0.00059 0.00246 96 5PY 0.00038 -0.01987 -0.00079 0.00064 0.00086 97 5PZ -0.00020 0.00550 0.00590 -0.00021 -0.00067 98 6PX 0.00053 0.01307 0.02135 -0.00197 -0.00098 99 6PY 0.00061 0.00221 0.00943 -0.00867 0.00192 100 6PZ -0.00044 0.00126 0.00246 0.00528 0.00123 101 7D 0 -0.00079 -0.01262 -0.07225 0.00773 0.00468 102 7D+1 -0.00144 -0.00925 0.02147 -0.00414 -0.00132 103 7D-1 -0.00091 -0.00808 -0.04571 -0.00351 -0.00100 104 7D+2 -0.00047 0.00381 0.06284 -0.00478 -0.01092 105 7D-2 0.00154 0.02618 0.13558 -0.01416 -0.00006 106 8D 0 -0.00043 -0.00376 -0.02427 0.00099 0.00085 107 8D+1 -0.00046 -0.00235 0.00687 -0.00082 -0.00011 108 8D-1 -0.00021 -0.00409 -0.01492 -0.00051 -0.00008 109 8D+2 0.00000 0.00140 0.02109 0.00029 -0.00323 110 8D-2 0.00074 0.00883 0.04542 -0.00256 0.00107 111 6 Cu 1S -0.00128 -0.00268 -0.00311 -0.00034 -0.00048 112 2S -0.00355 0.04029 0.00806 -0.00375 -0.00458 113 3S -0.00382 -0.01516 -0.06430 -0.01266 -0.00784 114 4PX 0.00102 0.01324 0.00511 0.00155 -0.00071 115 4PY 0.00031 0.00719 0.01022 0.00029 0.00068 116 4PZ -0.00166 -0.02019 -0.01287 0.00071 0.00112 117 5PX 0.00135 -0.02095 0.01014 -0.00313 0.00378 118 5PY 0.00038 -0.02503 -0.01691 -0.00058 -0.00095 119 5PZ -0.00232 0.03276 -0.01186 -0.00587 -0.00619 120 6PX 0.00001 0.00588 0.00255 0.00428 0.00039 121 6PY 0.00032 0.01206 0.00412 -0.00015 0.00224 122 6PZ -0.00031 -0.01397 -0.00984 0.00040 -0.00043 123 7D 0 -0.00073 0.00412 0.03325 -0.00761 -0.00289 124 7D+1 -0.00003 -0.01987 -0.09783 0.00241 0.00424 125 7D-1 -0.00105 -0.01299 -0.06208 0.00572 -0.00548 126 7D+2 -0.00108 -0.00819 -0.01856 0.00073 -0.00201 127 7D-2 0.00047 0.00720 0.02759 -0.00016 0.00404 128 8D 0 -0.00027 -0.00010 0.01030 -0.00193 -0.00106 129 8D+1 0.00015 -0.00551 -0.03143 -0.00043 0.00152 130 8D-1 -0.00050 -0.00428 -0.02048 0.00161 -0.00203 131 8D+2 -0.00034 -0.00439 -0.00652 0.00097 -0.00076 132 8D-2 0.00031 0.00184 0.00903 0.00045 0.00154 133 7 Cu 1S -0.00123 -0.00441 -0.00241 -0.00032 -0.00141 134 2S -0.00412 0.05131 0.00338 -0.00319 -0.00896 135 3S -0.00256 -0.03432 -0.06188 -0.00441 -0.01818 136 4PX -0.00009 0.00246 -0.00097 0.00122 0.00056 137 4PY 0.00197 0.02112 0.01569 -0.00043 0.00044 138 4PZ -0.00001 -0.00536 -0.00007 0.00073 -0.00070 139 5PX -0.00018 -0.00760 -0.00492 -0.00354 -0.00067 140 5PY 0.00226 -0.02525 0.00709 0.00260 0.00508 141 5PZ 0.00013 0.01357 0.00873 -0.00149 0.00025 142 6PX 0.00032 -0.00946 0.00059 0.00423 -0.00106 143 6PY -0.00011 0.00376 0.01269 -0.00044 0.00380 144 6PZ -0.00032 0.01513 0.00062 0.00171 0.00179 145 7D 0 0.00082 0.00089 -0.04448 -0.00237 0.00748 146 7D+1 -0.00104 -0.01970 -0.03880 -0.00251 -0.00091 147 7D-1 -0.00228 -0.02345 -0.08159 -0.00022 0.00597 148 7D+2 0.00026 -0.01778 -0.11403 0.00339 0.01325 149 7D-2 0.00152 0.01314 0.04129 0.00840 -0.00232 150 8D 0 0.00026 0.00080 -0.01453 -0.00072 0.00075 151 8D+1 -0.00033 -0.00695 -0.01305 -0.00092 0.00002 152 8D-1 -0.00085 -0.00771 -0.02749 -0.00001 0.00152 153 8D+2 0.00006 -0.00517 -0.03756 0.00141 0.00164 154 8D-2 0.00057 0.00439 0.01404 0.00329 -0.00070 155 8 C 1S -0.00053 0.00361 -0.01043 0.00009 -0.00086 156 2S 0.00114 -0.00869 0.02110 -0.00004 0.00187 157 3S 0.00244 -0.01457 0.01515 0.00092 0.00328 158 4PX -0.00031 -0.00736 -0.00819 -0.00131 -0.00124 159 4PY 0.00063 -0.01990 -0.00128 -0.00098 0.00194 160 4PZ -0.00008 0.01595 0.00106 -0.00158 0.00005 161 5PX -0.00014 -0.00111 -0.00126 0.00065 -0.00071 162 5PY 0.00021 -0.01192 -0.00202 -0.00064 -0.00058 163 5PZ 0.00011 0.00477 -0.00048 -0.00166 0.00113 164 9 O 1S -0.00029 -0.00067 0.00144 -0.00007 0.00016 165 2S 0.00060 0.00237 -0.00286 0.00032 -0.00030 166 3S 0.00005 -0.00243 -0.00945 -0.00054 -0.00101 167 4PX 0.00019 0.01067 -0.01321 0.00145 0.00069 168 4PY 0.00018 0.01430 0.00785 0.00137 -0.00125 169 4PZ -0.00039 -0.02076 -0.00447 0.00134 0.00069 170 5PX 0.00022 0.00757 -0.00324 0.00068 0.00087 171 5PY -0.00028 0.00789 0.00058 0.00025 -0.00018 172 5PZ -0.00015 -0.01159 -0.00219 0.00164 -0.00049 6 7 8 9 10 6 4PZ 0.99638 7 5PX -0.00360 0.02409 8 5PY -0.00310 0.00601 0.02154 9 5PZ 0.01946 0.00375 -0.00836 0.02167 10 6PX -0.00843 0.00393 0.00012 0.00171 0.01078 11 6PY -0.00594 0.00038 0.00218 -0.00002 0.00108 12 6PZ -0.00956 0.00190 0.00055 0.00240 0.00173 13 7D 0 0.00087 0.01664 0.01609 0.03541 0.02849 14 7D+1 -0.00135 0.02637 -0.00776 -0.00687 0.02418 15 7D-1 0.00039 -0.00893 0.02137 -0.02934 -0.01116 16 7D+2 0.00128 -0.02276 0.02003 0.00403 -0.02228 17 7D-2 0.00039 -0.03897 -0.01521 -0.00851 -0.05049 18 8D 0 -0.00007 0.00567 0.00516 0.01166 0.00949 19 8D+1 0.00022 0.00862 -0.00261 -0.00203 0.00808 20 8D-1 0.00060 -0.00342 0.00614 -0.00899 -0.00355 21 8D+2 0.00047 -0.00758 0.00617 0.00137 -0.00725 22 8D-2 -0.00015 -0.01265 -0.00448 -0.00331 -0.01687 23 2 Cu 1S 0.00172 0.00058 -0.00029 0.00052 0.00092 24 2S 0.01428 -0.02307 0.00608 -0.02282 0.00604 25 3S 0.00944 -0.00168 -0.00851 0.00620 0.01166 26 4PX -0.00012 0.00261 -0.00054 0.00209 0.00341 27 4PY -0.00095 0.00087 -0.00069 0.00080 0.00704 28 4PZ 0.00074 0.00069 -0.00082 0.00022 -0.00910 29 5PX 0.00084 0.00227 0.00105 0.00125 0.00590 30 5PY -0.00143 -0.00241 0.00081 -0.00458 -0.00035 31 5PZ 0.00140 0.00521 -0.00219 0.00473 0.00470 32 6PX 0.00172 -0.00003 -0.00284 0.00298 -0.00228 33 6PY 0.00561 0.00204 0.00402 -0.00355 -0.00374 34 6PZ -0.00229 0.00250 -0.00571 0.00818 0.00310 35 7D 0 0.00139 -0.02870 0.03264 -0.01717 -0.00858 36 7D+1 0.01079 0.00142 0.02664 -0.04758 -0.00265 37 7D-1 -0.00852 0.02860 -0.00643 0.04075 -0.01415 38 7D+2 0.00210 0.00948 0.01876 0.00617 -0.00459 39 7D-2 -0.00856 0.00685 -0.00593 0.02553 0.01778 40 8D 0 -0.00107 -0.00957 0.01092 -0.00585 -0.00278 41 8D+1 0.00171 0.00030 0.00890 -0.01606 -0.00053 42 8D-1 -0.00156 0.00965 -0.00236 0.01375 -0.00464 43 8D+2 0.00047 0.00301 0.00635 0.00202 -0.00123 44 8D-2 -0.00191 0.00227 -0.00202 0.00839 0.00582 45 3 Cu 1S -0.00052 -0.00016 -0.00050 0.00071 0.00041 46 2S 0.00518 -0.01646 0.00085 -0.01040 0.00693 47 3S -0.00618 -0.00414 -0.00268 0.00112 0.00988 48 4PX 0.00076 -0.00325 -0.00123 -0.00151 0.00390 49 4PY 0.00089 -0.00227 -0.00044 -0.00072 0.00272 50 4PZ -0.00036 -0.00038 0.00056 -0.00007 0.00106 51 5PX -0.00264 0.00947 0.00191 0.00506 0.00060 52 5PY -0.00037 0.00477 0.00483 -0.00078 -0.00375 53 5PZ -0.00097 0.00137 -0.00310 0.00589 0.00420 54 6PX 0.00358 0.00051 0.00305 -0.00332 -0.00109 55 6PY 0.00241 -0.00084 -0.00252 0.00200 0.00145 56 6PZ -0.00286 0.00299 0.00324 -0.00190 -0.00052 57 7D 0 0.00061 -0.00495 -0.00600 0.00634 0.00529 58 7D+1 0.00074 -0.00986 -0.00944 0.00435 0.00101 59 7D-1 -0.00120 -0.00027 0.01255 -0.01476 -0.00084 60 7D+2 -0.00117 -0.00333 0.00064 -0.00438 0.00789 61 7D-2 -0.00048 0.00371 0.00380 0.00311 0.00665 62 8D 0 0.00024 -0.00167 -0.00214 0.00243 0.00184 63 8D+1 0.00028 -0.00367 -0.00288 0.00134 0.00055 64 8D-1 -0.00047 0.00016 0.00489 -0.00515 -0.00056 65 8D+2 -0.00015 -0.00108 0.00017 -0.00200 0.00260 66 8D-2 -0.00009 0.00095 0.00133 0.00109 0.00216 67 4 Cu 1S -0.00069 -0.00049 -0.00047 0.00027 -0.00006 68 2S -0.00463 0.01570 0.00288 0.01109 0.00258 69 3S -0.00071 0.00093 -0.00258 0.00488 0.00858 70 4PX 0.00063 -0.00142 -0.00023 -0.00111 0.00187 71 4PY -0.00007 0.00097 -0.00037 0.00244 -0.00292 72 4PZ 0.00049 -0.00254 0.00103 -0.00209 0.00584 73 5PX -0.00107 0.00867 0.00269 0.00175 -0.00126 74 5PY 0.00132 -0.00069 0.00478 -0.00473 -0.00029 75 5PZ -0.00115 0.00578 -0.00233 0.00690 -0.00002 76 6PX 0.00154 -0.00113 -0.00333 0.00348 -0.00079 77 6PY -0.00163 -0.00205 -0.00353 0.00216 -0.00281 78 6PZ 0.00252 -0.00248 -0.00184 0.00022 0.00138 79 7D 0 -0.00011 0.00472 0.00788 -0.00834 0.00496 80 7D+1 -0.00009 0.00351 -0.00211 0.00416 -0.00535 81 7D-1 -0.00168 0.00979 0.00178 0.00154 0.00331 82 7D+2 -0.00168 0.00231 -0.00432 0.00706 0.00471 83 7D-2 -0.00013 -0.00954 -0.01439 0.00748 -0.00795 84 8D 0 0.00024 0.00190 0.00247 -0.00315 0.00168 85 8D+1 -0.00014 0.00167 -0.00038 0.00145 -0.00177 86 8D-1 -0.00068 0.00330 0.00080 0.00008 0.00110 87 8D+2 -0.00056 0.00098 -0.00134 0.00243 0.00153 88 8D-2 -0.00016 -0.00322 -0.00546 0.00272 -0.00267 89 5 Cu 1S 0.00031 -0.00067 -0.00035 -0.00037 -0.00071 90 2S -0.00200 0.02932 0.00932 0.01204 -0.00910 91 3S -0.00552 -0.00543 -0.00839 0.00409 -0.01972 92 4PX 0.00091 0.00160 0.00123 0.00099 -0.00347 93 4PY 0.00053 -0.00062 -0.00077 -0.00051 -0.00693 94 4PZ -0.00032 0.00268 0.00033 0.00104 0.00213 95 5PX -0.00161 0.00634 0.00242 0.00311 0.00896 96 5PY -0.00189 0.00531 0.00135 0.00054 0.00125 97 5PZ 0.00048 -0.00050 -0.00172 0.00032 0.00508 98 6PX -0.00348 0.00828 0.00722 -0.00172 0.00074 99 6PY -0.00341 0.00310 0.00400 -0.00272 0.00070 100 6PZ 0.00708 -0.00070 -0.00051 -0.00007 -0.00367 101 7D 0 0.00371 -0.04112 -0.01519 0.00377 -0.01074 102 7D+1 0.00709 0.00778 0.00432 -0.02914 -0.00451 103 7D-1 0.00412 0.00332 0.00376 -0.00845 0.00594 104 7D+2 -0.00261 0.01692 0.04376 0.00175 -0.00126 105 7D-2 -0.00199 0.05812 0.02013 0.00660 0.00950 106 8D 0 0.00080 -0.01387 -0.00504 0.00128 -0.00359 107 8D+1 0.00280 0.00271 0.00147 -0.00961 -0.00206 108 8D-1 0.00170 0.00093 0.00120 -0.00281 0.00201 109 8D+2 -0.00051 0.00585 0.01467 0.00066 -0.00082 110 8D-2 -0.00007 0.01952 0.00696 0.00226 0.00316 111 6 Cu 1S 0.00069 -0.00141 -0.00025 0.00218 -0.00095 112 2S 0.00633 0.00466 0.00355 -0.00724 -0.00411 113 3S 0.01949 -0.00882 -0.00816 0.01254 -0.01561 114 4PX 0.00076 -0.00166 0.00039 -0.00421 0.00192 115 4PY -0.00034 0.00128 -0.00161 -0.00187 -0.00172 116 4PZ 0.00081 -0.00504 -0.00102 0.00307 0.00362 117 5PX -0.00533 0.00972 0.00184 0.00056 0.00499 118 5PY -0.00025 0.00055 0.00090 0.00016 -0.00478 119 5PZ 0.00289 0.00086 -0.00139 0.00893 -0.00219 120 6PX 0.00253 -0.00285 -0.00148 -0.00274 -0.00091 121 6PY 0.00036 -0.00086 0.00040 0.00004 0.00272 122 6PZ 0.00554 -0.00349 -0.00082 0.00092 -0.00194 123 7D 0 0.00256 0.01457 0.01504 -0.01882 -0.00958 124 7D+1 -0.00839 -0.02118 -0.02091 0.03619 -0.00649 125 7D-1 -0.00472 -0.02407 0.00674 0.02180 -0.00692 126 7D+2 0.00381 0.00082 0.01140 -0.00451 0.00336 127 7D-2 0.00572 0.00122 -0.00626 -0.02067 -0.00346 128 8D 0 -0.00068 0.00420 0.00475 -0.00631 -0.00328 129 8D+1 -0.00134 -0.00696 -0.00679 0.01159 -0.00230 130 8D-1 -0.00082 -0.00789 0.00200 0.00669 -0.00200 131 8D+2 0.00044 0.00060 0.00368 -0.00121 0.00101 132 8D-2 0.00151 0.00010 -0.00198 -0.00671 -0.00137 133 7 Cu 1S 0.00057 0.00016 -0.00180 -0.00015 0.00001 134 2S 0.00529 0.00319 0.00933 -0.00517 0.00160 135 3S 0.00804 -0.00207 -0.01347 0.00395 -0.00170 136 4PX 0.00068 -0.00329 -0.00216 -0.00148 0.00469 137 4PY 0.00076 -0.00034 0.00655 -0.00034 0.00327 138 4PZ 0.00064 -0.00164 0.00234 -0.00212 -0.00027 139 5PX -0.00116 0.00476 0.00194 0.00204 0.00140 140 5PY -0.00465 0.00046 0.00378 -0.00050 -0.00014 141 5PZ -0.00205 0.00232 -0.00248 0.00305 0.00039 142 6PX 0.00069 0.00509 0.00157 0.00194 0.00109 143 6PY 0.00081 0.00289 0.00765 -0.00424 -0.00170 144 6PZ 0.00202 0.00185 -0.00110 0.00277 0.00444 145 7D 0 -0.00533 0.00464 -0.03000 0.02872 0.00949 146 7D+1 -0.00061 0.01418 -0.00196 -0.00411 -0.01030 147 7D-1 0.00758 0.00474 -0.03418 -0.00845 -0.00107 148 7D+2 -0.00248 -0.02028 -0.05902 0.01679 0.00278 149 7D-2 0.00000 -0.00932 0.01668 0.00389 0.01587 150 8D 0 -0.00198 0.00165 -0.00974 0.00946 0.00306 151 8D+1 -0.00023 0.00468 -0.00084 -0.00126 -0.00335 152 8D-1 0.00296 0.00165 -0.01123 -0.00247 -0.00032 153 8D+2 -0.00094 -0.00674 -0.01938 0.00542 0.00088 154 8D-2 0.00001 -0.00267 0.00550 0.00138 0.00534 155 8 C 1S -0.00010 -0.00213 0.00099 0.00343 -0.00270 156 2S 0.00011 0.00384 -0.00139 -0.00709 0.00772 157 3S -0.00187 0.00549 -0.00580 -0.00755 0.00118 158 4PX -0.00130 0.00072 0.00186 0.00498 0.00491 159 4PY -0.00016 0.00542 -0.00421 -0.00227 -0.00672 160 4PZ -0.00095 0.00248 -0.00100 0.00308 -0.00314 161 5PX -0.00188 0.00259 0.00121 0.00151 -0.00001 162 5PY 0.00073 0.00051 -0.00116 0.00023 0.00070 163 5PZ 0.00093 0.00132 -0.00105 0.00220 -0.00060 164 9 O 1S 0.00002 0.00032 -0.00060 -0.00017 0.00337 165 2S -0.00033 -0.00066 0.00163 0.00024 -0.00673 166 3S 0.00135 -0.00139 0.00054 0.00166 -0.01130 167 4PX 0.00088 -0.00582 -0.00646 0.00121 -0.01027 168 4PY -0.00018 -0.00548 0.00080 0.00039 0.01436 169 4PZ 0.00130 -0.00529 0.00133 -0.00532 -0.00099 170 5PX 0.00066 -0.00377 -0.00261 -0.00022 -0.00286 171 5PY 0.00073 -0.00270 -0.00051 0.00054 0.00315 172 5PZ -0.00004 -0.00278 0.00094 -0.00340 -0.00066 11 12 13 14 15 11 6PY 0.00888 12 6PZ -0.00159 0.00891 13 7D 0 0.01394 0.03271 0.74665 14 7D+1 -0.01321 0.00699 0.00412 0.74219 15 7D-1 0.03001 -0.03887 0.00292 -0.00264 0.75419 16 7D+2 0.01071 -0.00321 -0.00534 -0.00147 -0.00085 17 7D-2 -0.02199 -0.01137 0.00084 0.00281 -0.00187 18 8D 0 0.00458 0.01080 0.24708 0.00195 0.00042 19 8D+1 -0.00418 0.00221 0.00207 0.24516 0.00035 20 8D-1 0.01038 -0.01318 0.00049 0.00009 0.24904 21 8D+2 0.00367 -0.00127 -0.00205 -0.00012 0.00090 22 8D-2 -0.00753 -0.00360 -0.00040 -0.00022 0.00024 23 2 Cu 1S 0.00001 0.00051 -0.00031 0.00199 0.00062 24 2S -0.00882 0.00835 0.00496 0.02649 -0.00480 25 3S -0.00929 0.01900 0.04228 0.13275 -0.09163 26 4PX -0.00124 -0.00094 -0.00914 -0.00031 0.00640 27 4PY 0.00469 0.00394 0.00873 0.00721 -0.00004 28 4PZ -0.00127 -0.00090 -0.00196 -0.01046 0.00909 29 5PX -0.00199 0.00727 0.03071 0.02471 -0.03038 30 5PY 0.00139 0.00002 -0.02228 -0.03241 -0.00757 31 5PZ -0.00421 0.00512 0.01337 0.04319 -0.03336 32 6PX -0.00045 -0.00145 -0.00250 0.02011 -0.00004 33 6PY -0.00012 -0.00019 -0.01159 0.00283 -0.00491 34 6PZ 0.00173 0.00009 0.00053 0.00840 -0.00015 35 7D 0 0.00652 -0.00202 0.01714 -0.01356 0.00735 36 7D+1 -0.00620 -0.00234 -0.00884 -0.00285 0.01679 37 7D-1 -0.01734 0.01403 0.01146 0.01325 0.00204 38 7D+2 -0.00147 0.00961 -0.00934 0.01329 0.01408 39 7D-2 0.00720 0.00420 0.02067 -0.00093 0.00138 40 8D 0 0.00235 -0.00077 0.00150 -0.00444 0.00058 41 8D+1 -0.00214 -0.00035 -0.00031 -0.00104 0.00330 42 8D-1 -0.00574 0.00469 0.00311 0.00249 -0.00066 43 8D+2 -0.00068 0.00355 -0.00364 0.00339 0.00170 44 8D-2 0.00204 0.00160 0.00415 -0.00034 -0.00113 45 3 Cu 1S 0.00076 -0.00017 -0.00152 0.00030 0.00314 46 2S 0.01252 -0.00536 -0.00908 -0.00172 0.01786 47 3S 0.01620 -0.01420 -0.00889 -0.00089 0.08114 48 4PX -0.00051 0.00489 -0.00183 -0.00157 -0.00002 49 4PY -0.00310 0.00240 0.00102 -0.00085 -0.00090 50 4PZ 0.00069 -0.00090 -0.00038 -0.00009 0.00129 51 5PX 0.00197 -0.00071 0.00610 0.00312 -0.00330 52 5PY -0.00085 0.00223 0.00263 0.00064 -0.01550 53 5PZ 0.00274 -0.00299 0.00237 0.00533 0.01350 54 6PX -0.00047 0.00154 -0.00596 0.00400 -0.00365 55 6PY -0.00198 0.00161 0.00831 -0.00104 -0.00579 56 6PZ -0.00152 -0.00194 0.00339 0.00125 0.00225 57 7D 0 -0.00923 -0.00448 0.00539 0.00014 0.00244 58 7D+1 0.00871 0.00386 -0.00386 0.00208 -0.00183 59 7D-1 -0.00091 -0.00815 0.00273 -0.00323 -0.00641 60 7D+2 -0.00270 -0.00790 0.00708 -0.00208 -0.00202 61 7D-2 -0.00051 -0.00012 -0.00014 -0.00120 -0.00161 62 8D 0 -0.00301 -0.00148 0.00210 0.00027 0.00098 63 8D+1 0.00302 0.00122 -0.00133 0.00146 -0.00075 64 8D-1 -0.00048 -0.00260 0.00156 -0.00159 -0.00401 65 8D+2 -0.00091 -0.00263 0.00334 -0.00068 -0.00166 66 8D-2 -0.00005 -0.00003 -0.00028 -0.00044 -0.00090 67 4 Cu 1S 0.00059 -0.00068 0.00129 0.00160 0.00143 68 2S 0.01235 -0.00800 0.01298 0.00954 0.00527 69 3S 0.01534 -0.01531 0.01868 0.02136 0.06499 70 4PX 0.00034 0.00222 -0.00124 -0.00039 0.00103 71 4PY -0.00262 -0.00055 -0.00023 -0.00123 -0.00130 72 4PZ 0.00163 0.00128 -0.00060 0.00047 0.00059 73 5PX -0.00251 0.00496 0.00661 -0.00210 -0.01604 74 5PY -0.00112 0.00456 -0.00203 -0.00349 -0.01486 75 5PZ -0.00071 -0.00146 0.00363 0.00294 0.00308 76 6PX 0.00077 -0.00132 -0.00473 -0.00339 0.00534 77 6PY -0.00095 0.00031 0.00161 -0.00873 -0.00542 78 6PZ 0.00069 -0.00135 0.00252 -0.00657 0.00389 79 7D 0 -0.00439 -0.00670 0.00013 -0.00534 -0.00492 80 7D+1 0.01116 -0.00054 -0.00398 0.00018 0.00059 81 7D-1 0.00167 0.00395 -0.00135 -0.00168 0.00016 82 7D+2 -0.00580 -0.01183 0.00114 -0.00348 -0.00230 83 7D-2 -0.00063 0.00031 -0.00073 0.00401 0.00368 84 8D 0 -0.00153 -0.00209 0.00034 -0.00239 -0.00261 85 8D+1 0.00374 -0.00028 -0.00206 0.00014 0.00013 86 8D-1 0.00037 0.00140 -0.00079 -0.00117 0.00001 87 8D+2 -0.00188 -0.00408 0.00013 -0.00123 -0.00097 88 8D-2 -0.00013 -0.00024 -0.00051 0.00203 0.00264 89 5 Cu 1S -0.00003 -0.00059 -0.00009 0.00198 0.00059 90 2S -0.00950 -0.00137 -0.00672 0.02033 0.00487 91 3S -0.01229 -0.00232 -0.06010 0.07577 -0.02118 92 4PX 0.00050 -0.00596 -0.00861 0.00208 0.00325 93 4PY 0.00405 -0.00536 -0.00436 0.00116 -0.00049 94 4PZ 0.00065 0.00639 -0.00158 -0.00806 -0.00386 95 5PX 0.00568 0.00311 0.03060 -0.01777 -0.01376 96 5PY 0.00214 0.00087 0.02240 -0.01476 0.00006 97 5PZ 0.00108 0.00108 0.02240 0.01707 0.01548 98 6PX -0.00198 0.00107 0.00060 -0.01176 -0.00817 99 6PY 0.00073 0.00424 0.01126 0.00924 -0.00820 100 6PZ 0.00148 -0.00206 -0.00126 -0.02102 0.01589 101 7D 0 0.00011 0.00049 -0.01352 0.01001 0.00651 102 7D+1 -0.00970 -0.00274 0.00478 0.02172 0.01386 103 7D-1 -0.01255 0.02342 0.00308 0.01731 0.00033 104 7D+2 0.00198 0.01181 0.00702 -0.00107 -0.00371 105 7D-2 0.01250 -0.01162 0.00036 -0.00272 0.00114 106 8D 0 -0.00011 0.00027 -0.00390 0.00340 0.00223 107 8D+1 -0.00358 -0.00102 -0.00122 0.00356 0.00182 108 8D-1 -0.00387 0.00762 -0.00029 0.00337 0.00011 109 8D+2 0.00059 0.00374 0.00306 0.00021 0.00047 110 8D-2 0.00425 -0.00392 -0.00039 -0.00009 -0.00013 111 6 Cu 1S 0.00074 0.00090 0.00012 -0.00036 0.00036 112 2S 0.00142 0.00468 0.02402 -0.03225 -0.00591 113 3S -0.00261 0.01914 0.07291 -0.14347 -0.03985 114 4PX 0.00051 0.00375 0.00884 -0.00618 -0.00139 115 4PY 0.00269 0.00239 0.00229 -0.00377 0.00266 116 4PZ -0.00119 -0.00091 -0.00567 0.01291 0.00402 117 5PX 0.00313 -0.00257 -0.03965 0.04460 0.00503 118 5PY 0.00225 0.00709 0.00427 0.00963 -0.04296 119 5PZ -0.00448 0.00570 0.05054 -0.06917 -0.01884 120 6PX 0.00043 0.00109 0.00920 -0.00137 -0.00201 121 6PY -0.00786 -0.00264 0.00265 -0.00420 -0.01597 122 6PZ 0.00406 0.00237 0.00106 -0.00438 0.01548 123 7D 0 -0.00239 -0.00584 0.01139 0.01182 0.00409 124 7D+1 -0.00764 0.00128 0.00815 -0.00478 -0.01004 125 7D-1 -0.00965 0.00347 0.01109 -0.01533 0.01079 126 7D+2 -0.00386 0.01306 -0.01081 -0.00623 0.00959 127 7D-2 0.00567 -0.00477 -0.01616 0.00548 -0.01048 128 8D 0 -0.00058 -0.00185 0.00158 0.00187 -0.00009 129 8D+1 -0.00232 0.00050 0.00032 -0.00041 -0.00281 130 8D-1 -0.00350 0.00102 0.00317 -0.00303 0.00147 131 8D+2 -0.00090 0.00441 -0.00194 -0.00053 0.00187 132 8D-2 0.00220 -0.00140 -0.00258 0.00201 -0.00185 133 7 Cu 1S -0.00019 0.00003 -0.00066 0.00001 0.00004 134 2S -0.00921 -0.00042 -0.02644 0.00161 0.00456 135 3S -0.01706 0.00417 -0.06843 -0.03903 -0.03504 136 4PX -0.00271 0.00027 -0.00259 0.00016 -0.00052 137 4PY -0.00429 -0.00431 -0.00762 -0.00070 -0.00478 138 4PZ 0.00497 0.00475 0.00251 -0.00079 -0.00516 139 5PX -0.00157 0.00109 0.00877 0.00561 -0.01229 140 5PY 0.00736 0.00003 0.04150 -0.00076 0.00378 141 5PZ 0.00253 0.00047 0.00468 0.00125 0.02238 142 6PX 0.00099 0.00264 -0.01022 -0.00320 -0.00923 143 6PY 0.00255 0.00271 -0.00585 0.00724 -0.00444 144 6PZ -0.00336 -0.00300 0.00293 0.00608 0.00111 145 7D 0 -0.00625 -0.01059 -0.00739 0.00016 -0.01140 146 7D+1 0.00117 0.01710 0.00363 -0.01023 0.00033 147 7D-1 -0.00991 0.01687 -0.01527 0.00528 0.02460 148 7D+2 -0.01192 -0.00762 -0.00378 -0.00462 -0.00908 149 7D-2 0.00584 -0.00148 0.00136 -0.00927 0.00083 150 8D 0 -0.00205 -0.00343 -0.00151 -0.00003 -0.00222 151 8D+1 0.00043 0.00555 0.00165 -0.00294 0.00042 152 8D-1 -0.00353 0.00562 -0.00538 0.00201 0.00393 153 8D+2 -0.00390 -0.00244 -0.00018 -0.00166 -0.00248 154 8D-2 0.00210 -0.00044 0.00024 -0.00339 0.00023 155 8 C 1S -0.00031 0.00306 0.00281 -0.00369 0.00151 156 2S -0.00117 -0.00783 -0.00758 0.00765 -0.00086 157 3S 0.00361 -0.00261 -0.00453 0.02025 -0.02969 158 4PX -0.00916 -0.00556 0.00192 0.00053 0.00114 159 4PY 0.00711 0.00220 -0.00877 0.01273 -0.00133 160 4PZ 0.00288 0.00253 0.00529 -0.00676 -0.00354 161 5PX -0.00036 -0.00044 -0.00076 0.00474 0.00416 162 5PY 0.00071 -0.00061 0.01113 -0.01109 -0.00251 163 5PZ -0.00007 0.00100 0.00324 -0.00194 -0.00346 164 9 O 1S -0.00492 -0.00302 -0.00070 0.00078 -0.00033 165 2S 0.00949 0.00602 0.00126 -0.00075 0.00057 166 3S 0.01320 0.00965 0.00626 -0.01021 0.00435 167 4PX -0.00159 0.00128 0.00078 -0.00311 0.00083 168 4PY -0.02119 -0.01489 0.00648 -0.00872 0.00270 169 4PZ 0.00520 -0.00105 -0.00530 0.01023 0.00131 170 5PX -0.00216 -0.00074 -0.00067 -0.00133 -0.00092 171 5PY -0.00674 -0.00400 0.00126 -0.00436 0.00355 172 5PZ 0.00250 -0.00054 -0.00354 0.00600 0.00049 16 17 18 19 20 16 7D+2 0.74247 17 7D-2 -0.00229 0.75242 18 8D 0 -0.00211 -0.00041 0.08185 19 8D+1 0.00004 -0.00030 0.00091 0.08105 20 8D-1 0.00080 0.00021 0.00000 0.00046 0.08243 21 8D+2 0.24590 -0.00099 -0.00083 0.00013 0.00067 22 8D-2 -0.00092 0.24895 -0.00034 -0.00047 0.00031 23 2 Cu 1S 0.00138 -0.00025 0.00007 0.00086 0.00008 24 2S 0.01540 -0.00518 0.00110 0.00898 -0.00249 25 3S 0.04059 -0.01484 0.01429 0.04443 -0.03043 26 4PX 0.00331 0.00091 -0.00256 0.00064 0.00153 27 4PY 0.00431 0.00095 0.00215 0.00152 0.00107 28 4PZ 0.00027 0.00861 0.00107 -0.00174 0.00142 29 5PX -0.01458 -0.00802 0.01022 0.00839 -0.01021 30 5PY -0.01002 -0.00410 -0.00736 -0.01092 -0.00238 31 5PZ 0.01521 -0.03212 0.00456 0.01457 -0.01143 32 6PX 0.01579 0.01423 -0.00073 0.00679 0.00023 33 6PY 0.00892 0.00863 -0.00363 0.00093 -0.00193 34 6PZ 0.00316 -0.01432 0.00012 0.00289 0.00051 35 7D 0 0.00166 0.01665 0.00178 -0.00476 -0.00001 36 7D+1 0.01381 0.00406 -0.00059 -0.00193 0.00309 37 7D-1 0.01801 0.00457 0.00288 0.00235 -0.00030 38 7D+2 0.00310 -0.00150 -0.00410 0.00296 0.00211 39 7D-2 0.00309 -0.00055 0.00405 -0.00040 -0.00036 40 8D 0 0.00211 0.00200 -0.00080 -0.00157 -0.00062 41 8D+1 0.00247 0.00173 0.00068 -0.00067 0.00025 42 8D-1 0.00421 -0.00008 0.00073 0.00015 -0.00054 43 8D+2 -0.00041 -0.00206 -0.00155 0.00064 -0.00032 44 8D-2 0.00158 -0.00062 0.00043 -0.00015 -0.00068 45 3 Cu 1S 0.00147 -0.00001 -0.00055 0.00016 0.00111 46 2S 0.01327 0.00369 -0.00345 -0.00087 0.00813 47 3S 0.03364 -0.03516 -0.00365 0.00005 0.02920 48 4PX -0.00069 0.00086 -0.00064 -0.00057 -0.00002 49 4PY -0.00057 0.00101 0.00012 -0.00019 -0.00043 50 4PZ 0.00085 0.00141 -0.00036 -0.00007 0.00019 51 5PX -0.00127 -0.00765 0.00204 0.00076 -0.00100 52 5PY -0.00425 0.00862 0.00123 0.00011 -0.00535 53 5PZ 0.00278 -0.01291 0.00079 0.00191 0.00527 54 6PX 0.00041 0.00291 -0.00203 0.00128 -0.00143 55 6PY 0.00154 0.00380 0.00277 -0.00038 -0.00182 56 6PZ 0.00820 0.00509 0.00114 0.00047 0.00049 57 7D 0 0.00620 0.00207 0.00243 0.00023 0.00109 58 7D+1 -0.00279 -0.00418 -0.00138 0.00136 -0.00051 59 7D-1 -0.00173 0.00072 0.00182 -0.00174 -0.00403 60 7D+2 -0.00073 0.00347 0.00312 -0.00060 -0.00139 61 7D-2 0.00015 0.00157 -0.00038 -0.00026 -0.00081 62 8D 0 0.00263 0.00054 0.00091 0.00015 0.00045 63 8D+1 -0.00121 -0.00219 -0.00050 0.00070 -0.00022 64 8D-1 -0.00092 0.00081 0.00081 -0.00075 -0.00201 65 8D+2 -0.00015 0.00155 0.00140 -0.00019 -0.00078 66 8D-2 0.00031 0.00108 -0.00021 -0.00009 -0.00039 67 4 Cu 1S 0.00025 -0.00278 0.00041 0.00059 0.00052 68 2S 0.00279 -0.01686 0.00502 0.00344 0.00312 69 3S 0.01325 -0.05257 0.00700 0.00824 0.02254 70 4PX 0.00037 0.00179 -0.00045 -0.00019 0.00055 71 4PY 0.00016 0.00058 -0.00009 -0.00010 -0.00047 72 4PZ 0.00216 -0.00009 -0.00031 0.00017 0.00039 73 5PX -0.00532 0.00165 0.00221 -0.00071 -0.00568 74 5PY -0.00079 0.00877 -0.00108 -0.00162 -0.00523 75 5PZ -0.00103 -0.00914 0.00118 0.00131 0.00071 76 6PX -0.00732 0.00162 -0.00155 -0.00117 0.00211 77 6PY 0.00799 0.00361 0.00051 -0.00295 -0.00162 78 6PZ 0.00661 -0.00464 0.00076 -0.00217 0.00148 79 7D 0 0.00335 -0.00072 0.00007 -0.00230 -0.00260 80 7D+1 -0.00651 0.00368 -0.00190 0.00030 0.00041 81 7D-1 0.00016 0.00167 -0.00082 -0.00143 0.00027 82 7D+2 0.00640 0.00072 0.00004 -0.00150 -0.00098 83 7D-2 0.00168 -0.00504 -0.00040 0.00217 0.00263 84 8D 0 0.00145 0.00002 0.00011 -0.00099 -0.00122 85 8D+1 -0.00237 0.00185 -0.00087 0.00013 0.00012 86 8D-1 0.00010 0.00118 -0.00039 -0.00069 0.00005 87 8D+2 0.00296 0.00096 -0.00008 -0.00053 -0.00039 88 8D-2 0.00076 -0.00290 -0.00021 0.00094 0.00137 89 5 Cu 1S 0.00134 -0.00016 -0.00020 0.00068 0.00028 90 2S 0.02029 0.01086 -0.00180 0.00737 0.00020 91 3S 0.09068 0.10974 -0.02015 0.02526 -0.00661 92 4PX 0.00332 0.01395 -0.00123 0.00055 0.00075 93 4PY 0.01174 0.00262 -0.00047 0.00030 -0.00055 94 4PZ 0.00200 0.00123 -0.00070 -0.00295 -0.00140 95 5PX -0.02852 -0.05846 0.01025 -0.00606 -0.00446 96 5PY -0.03668 -0.00302 0.00760 -0.00501 0.00011 97 5PZ -0.00590 -0.01312 0.00748 0.00560 0.00512 98 6PX -0.01033 -0.00532 0.00016 -0.00407 -0.00328 99 6PY -0.00244 0.00106 0.00356 0.00285 -0.00278 100 6PZ -0.01233 0.00476 -0.00030 -0.00691 0.00511 101 7D 0 -0.00329 0.00516 -0.00365 0.00390 0.00264 102 7D+1 -0.00273 -0.00788 -0.00048 0.00353 0.00134 103 7D-1 -0.00619 -0.00176 -0.00029 0.00304 -0.00019 104 7D+2 0.01458 -0.02115 0.00333 -0.00019 -0.00015 105 7D-2 -0.02656 -0.00444 -0.00076 -0.00042 -0.00033 106 8D 0 -0.00217 0.00211 -0.00101 0.00133 0.00089 107 8D+1 0.00021 -0.00181 -0.00109 -0.00004 -0.00052 108 8D-1 -0.00146 -0.00095 -0.00055 0.00021 -0.00001 109 8D+2 0.00131 -0.00231 0.00135 0.00012 0.00052 110 8D-2 -0.00621 -0.00258 -0.00042 0.00012 -0.00027 111 6 Cu 1S 0.00015 -0.00020 -0.00001 -0.00009 0.00024 112 2S 0.01281 0.00426 0.00784 -0.01060 -0.00213 113 3S 0.00658 0.02283 0.02408 -0.04839 -0.01352 114 4PX 0.00041 0.00273 0.00282 -0.00117 -0.00016 115 4PY 0.00032 -0.00176 0.00053 -0.00092 0.00162 116 4PZ -0.00513 -0.00153 -0.00091 0.00335 0.00092 117 5PX -0.01820 -0.02459 -0.01292 0.01482 0.00196 118 5PY 0.00959 0.02794 0.00135 0.00294 -0.01405 119 5PZ 0.03299 0.00168 0.01687 -0.02279 -0.00707 120 6PX 0.00369 0.00968 0.00302 -0.00047 -0.00061 121 6PY 0.00275 0.00983 0.00094 -0.00154 -0.00563 122 6PZ -0.00718 -0.00368 0.00034 -0.00141 0.00534 123 7D 0 -0.00946 -0.01161 0.00131 0.00298 -0.00013 124 7D+1 -0.01091 0.00174 0.00133 -0.00168 -0.00148 125 7D-1 0.01690 -0.00988 0.00378 -0.00380 0.00144 126 7D+2 -0.00191 -0.00123 -0.00276 -0.00065 0.00223 127 7D-2 -0.00689 0.00136 -0.00369 0.00210 -0.00159 128 8D 0 -0.00084 -0.00319 -0.00027 0.00030 -0.00049 129 8D+1 -0.00267 0.00006 -0.00035 -0.00016 -0.00032 130 8D-1 0.00357 -0.00155 0.00110 -0.00060 -0.00021 131 8D+2 -0.00078 0.00062 -0.00037 0.00027 0.00036 132 8D-2 -0.00237 0.00015 -0.00033 0.00077 0.00003 133 7 Cu 1S -0.00123 -0.00021 -0.00022 -0.00005 -0.00007 134 2S -0.04327 -0.00755 -0.00874 0.00053 0.00059 135 3S -0.15489 0.00476 -0.02261 -0.01422 -0.01264 136 4PX -0.00143 -0.00610 -0.00072 0.00010 -0.00015 137 4PY -0.01400 0.00145 -0.00146 -0.00019 -0.00100 138 4PZ 0.00508 -0.00026 0.00042 -0.00037 -0.00233 139 5PX -0.00703 0.01056 0.00316 0.00176 -0.00425 140 5PY 0.06952 0.00456 0.01391 -0.00022 0.00181 141 5PZ -0.00574 -0.01303 0.00159 0.00075 0.00754 142 6PX -0.01035 -0.00679 -0.00333 -0.00117 -0.00324 143 6PY -0.00445 0.00319 -0.00197 0.00243 -0.00187 144 6PZ 0.01929 -0.00675 0.00105 0.00223 0.00038 145 7D 0 -0.00654 -0.00060 -0.00226 0.00045 -0.00055 146 7D+1 0.00075 -0.00500 0.00180 -0.00336 -0.00005 147 7D-1 -0.01018 0.00086 -0.00433 0.00180 0.00429 148 7D+2 -0.01689 0.00580 -0.00101 -0.00105 -0.00083 149 7D-2 0.00720 0.02779 -0.00006 -0.00300 0.00005 150 8D 0 -0.00162 0.00067 -0.00042 0.00013 0.00031 151 8D+1 0.00081 -0.00071 0.00076 -0.00097 0.00013 152 8D-1 -0.00313 0.00029 -0.00156 0.00067 0.00003 153 8D+2 -0.00332 0.00113 0.00001 -0.00039 -0.00012 154 8D-2 0.00319 0.00487 -0.00009 -0.00110 -0.00001 155 8 C 1S 0.00237 -0.00095 0.00090 -0.00110 0.00030 156 2S -0.00684 0.00048 -0.00247 0.00255 -0.00023 157 3S -0.00011 0.02118 -0.00165 0.00668 -0.00938 158 4PX 0.00323 -0.00489 0.00101 0.00025 0.00037 159 4PY -0.00557 -0.00111 -0.00315 0.00421 0.00004 160 4PZ 0.00101 -0.00162 0.00181 -0.00196 -0.00139 161 5PX -0.00335 -0.00365 -0.00016 0.00161 0.00137 162 5PY 0.00582 0.00244 0.00372 -0.00369 -0.00069 163 5PZ -0.00198 -0.00029 0.00109 -0.00061 -0.00118 164 9 O 1S -0.00066 0.00004 -0.00029 0.00022 0.00008 165 2S 0.00147 0.00008 0.00056 -0.00022 -0.00019 166 3S 0.00451 -0.00192 0.00207 -0.00338 0.00116 167 4PX -0.00283 0.00346 0.00001 -0.00108 0.00053 168 4PY 0.00343 0.00058 0.00240 -0.00290 0.00063 169 4PZ -0.00315 0.00409 -0.00176 0.00363 0.00075 170 5PX -0.00048 0.00306 -0.00032 -0.00047 -0.00025 171 5PY -0.00032 -0.00159 0.00042 -0.00145 0.00111 172 5PZ -0.00039 0.00321 -0.00121 0.00206 0.00033 21 22 23 24 25 21 8D+2 0.08152 22 8D-2 -0.00042 0.08252 23 2 Cu 1S 0.00047 -0.00025 1.00535 24 2S 0.00537 -0.00054 0.00768 0.17789 25 3S 0.01364 -0.00548 0.00683 0.08833 0.20570 26 4PX 0.00125 -0.00025 -0.00308 -0.01860 0.03753 27 4PY 0.00152 0.00125 -0.00068 -0.00509 0.00913 28 4PZ 0.00002 0.00190 -0.00100 -0.00679 0.01236 29 5PX -0.00480 -0.00269 0.00253 0.02577 0.05858 30 5PY -0.00322 -0.00138 0.00065 0.01031 0.01832 31 5PZ 0.00517 -0.01067 0.00081 0.01222 0.02430 32 6PX 0.00530 0.00441 0.00130 -0.01000 0.01523 33 6PY 0.00281 0.00273 0.00015 -0.00959 0.00305 34 6PZ 0.00130 -0.00496 0.00040 -0.00931 0.00607 35 7D 0 0.00157 0.00193 0.00017 -0.00077 0.00576 36 7D+1 0.00209 0.00238 -0.00012 -0.00314 -0.03691 37 7D-1 0.00446 0.00030 0.00002 0.00793 0.08090 38 7D+2 -0.00021 -0.00157 -0.00044 -0.00092 -0.03329 39 7D-2 0.00200 -0.00074 -0.00003 -0.00449 -0.04061 40 8D 0 0.00104 -0.00056 -0.00003 -0.00083 0.00137 41 8D+1 -0.00002 0.00093 -0.00001 0.00106 -0.01067 42 8D-1 0.00090 -0.00045 0.00017 0.00137 0.02620 43 8D+2 -0.00055 -0.00103 -0.00003 0.00129 -0.00978 44 8D-2 0.00086 -0.00035 -0.00003 0.00064 -0.01192 45 3 Cu 1S 0.00050 -0.00002 -0.00124 -0.00324 -0.00032 46 2S 0.00509 0.00074 -0.00332 0.07909 0.00958 47 3S 0.01230 -0.01151 -0.00038 0.00954 -0.05518 48 4PX -0.00019 0.00057 0.00068 0.01060 0.00981 49 4PY -0.00013 0.00035 0.00152 0.01259 0.00759 50 4PZ 0.00011 0.00052 -0.00082 -0.00632 -0.00188 51 5PX -0.00053 -0.00298 0.00066 -0.02670 0.00019 52 5PY -0.00191 0.00293 0.00066 -0.01923 0.00396 53 5PZ 0.00105 -0.00417 -0.00034 0.00558 -0.00829 54 6PX 0.00010 0.00121 0.00075 0.00643 0.01305 55 6PY 0.00053 0.00116 0.00035 0.00911 0.01695 56 6PZ 0.00274 0.00188 0.00013 -0.00667 -0.00806 57 7D 0 0.00243 0.00077 -0.00102 -0.01565 -0.05192 58 7D+1 -0.00103 -0.00227 0.00004 -0.00364 -0.02714 59 7D-1 -0.00101 0.00068 0.00072 -0.00292 -0.08042 60 7D+2 -0.00059 0.00153 0.00140 0.01034 0.02254 61 7D-2 0.00021 0.00131 0.00182 0.02492 0.13419 62 8D 0 0.00099 0.00021 -0.00043 -0.00488 -0.01769 63 8D+1 -0.00043 -0.00105 -0.00015 -0.00019 -0.00954 64 8D-1 -0.00047 0.00043 0.00014 -0.00190 -0.02667 65 8D+2 -0.00017 0.00067 0.00042 0.00395 0.00750 66 8D-2 0.00016 0.00061 0.00084 0.00840 0.04474 67 4 Cu 1S 0.00009 -0.00098 0.00034 -0.00150 -0.00148 68 2S 0.00111 -0.00739 -0.00150 -0.05673 -0.01746 69 3S 0.00487 -0.01947 -0.00147 -0.01718 0.02540 70 4PX 0.00041 0.00050 -0.00093 0.00518 -0.00544 71 4PY -0.00007 0.00033 -0.00062 -0.00294 0.00066 72 4PZ 0.00058 0.00011 0.00041 0.00643 -0.00436 73 5PX -0.00188 0.00121 0.00074 -0.01030 0.00166 74 5PY -0.00032 0.00307 0.00060 0.00779 0.00305 75 5PZ -0.00008 -0.00336 0.00017 -0.01460 -0.00223 76 6PX -0.00242 0.00038 -0.00058 -0.01228 -0.01753 77 6PY 0.00267 0.00110 -0.00039 -0.00623 -0.01525 78 6PZ 0.00229 -0.00158 0.00036 0.00843 0.00392 79 7D 0 0.00114 -0.00004 0.00171 0.00908 0.03376 80 7D+1 -0.00250 0.00173 -0.00085 -0.00455 -0.00379 81 7D-1 0.00014 0.00131 -0.00071 -0.00676 0.02385 82 7D+2 0.00289 0.00059 -0.00190 -0.01684 -0.04500 83 7D-2 0.00073 -0.00299 -0.00249 -0.01223 -0.07271 84 8D 0 0.00053 0.00006 0.00063 0.00396 0.01270 85 8D+1 -0.00091 0.00081 -0.00030 -0.00211 -0.00163 86 8D-1 0.00006 0.00065 -0.00027 -0.00186 0.00754 87 8D+2 0.00125 0.00042 -0.00061 -0.00677 -0.01632 88 8D-2 0.00033 -0.00144 -0.00091 -0.00572 -0.02573 89 5 Cu 1S 0.00061 0.00017 0.00039 -0.00140 -0.00084 90 2S 0.00656 0.00398 -0.00144 -0.05597 -0.01669 91 3S 0.03045 0.03672 -0.00084 -0.01477 0.02449 92 4PX -0.00047 0.00250 -0.00076 0.00626 -0.00668 93 4PY 0.00323 -0.00081 0.00039 0.00544 -0.00503 94 4PZ 0.00079 0.00045 -0.00082 -0.00300 -0.00232 95 5PX -0.00968 -0.01979 0.00060 -0.01287 0.00079 96 5PY -0.01215 -0.00114 0.00011 -0.01230 -0.00271 97 5PZ -0.00196 -0.00433 0.00042 0.00765 0.00484 98 6PX -0.00364 -0.00138 -0.00034 -0.00974 -0.01438 99 6PY -0.00083 0.00070 0.00049 0.00548 0.00339 100 6PZ -0.00416 0.00148 -0.00070 -0.00981 -0.01817 101 7D 0 -0.00187 0.00160 0.00037 0.00776 -0.00107 102 7D+1 -0.00016 -0.00250 -0.00289 -0.01638 -0.07786 103 7D-1 -0.00165 -0.00075 -0.00055 -0.00566 0.02206 104 7D+2 0.00072 -0.00239 -0.00227 -0.01479 -0.03947 105 7D-2 -0.00640 -0.00189 -0.00045 -0.00139 -0.00361 106 8D 0 -0.00099 0.00066 0.00008 0.00290 -0.00018 107 8D+1 0.00031 -0.00055 -0.00103 -0.00724 -0.02781 108 8D-1 -0.00034 -0.00038 -0.00020 -0.00135 0.00699 109 8D+2 -0.00094 0.00080 -0.00080 -0.00632 -0.01489 110 8D-2 -0.00126 -0.00099 -0.00015 -0.00089 -0.00124 111 6 Cu 1S 0.00004 -0.00015 -0.00167 -0.00297 -0.00338 112 2S 0.00420 0.00155 -0.00390 0.04164 0.00930 113 3S 0.00158 0.00775 -0.00355 -0.01145 -0.07234 114 4PX -0.00030 0.00080 0.00180 0.02531 0.01737 115 4PY 0.00006 -0.00105 -0.00042 -0.00299 0.00584 116 4PZ -0.00157 -0.00019 -0.00020 0.00021 0.00288 117 5PX -0.00604 -0.00870 0.00252 -0.04564 0.01474 118 5PY 0.00296 0.00905 0.00009 -0.00467 -0.02092 119 5PZ 0.01082 0.00087 -0.00017 -0.00892 -0.01584 120 6PX 0.00123 0.00329 0.00086 0.01415 0.00825 121 6PY 0.00089 0.00341 0.00026 0.00478 -0.00210 122 6PZ -0.00246 -0.00123 0.00006 -0.00132 -0.00369 123 7D 0 -0.00200 -0.00296 -0.00016 -0.01199 -0.06326 124 7D+1 -0.00267 -0.00067 0.00126 0.00897 0.02948 125 7D-1 0.00447 -0.00161 0.00054 0.01178 0.03473 126 7D+2 -0.00149 0.00018 0.00040 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-0.00002 -0.00132 -0.00311 -0.00845 -0.00323 69 3S -0.01452 0.00050 -0.01560 -0.02403 -0.00029 70 4PX 0.00012 0.00020 0.00021 0.00020 0.00156 71 4PY -0.00058 -0.00027 0.00011 0.00041 0.00062 72 4PZ 0.00082 0.00015 0.00053 -0.00019 0.00096 73 5PX 0.00366 -0.00053 0.00446 0.00401 0.00075 74 5PY 0.00439 -0.00062 0.00360 0.00196 -0.00008 75 5PZ -0.00235 0.00001 -0.00028 0.00255 0.00054 76 6PX 0.00127 0.00131 -0.00130 0.00191 0.00045 77 6PY -0.00254 0.00042 0.00312 -0.00022 -0.00042 78 6PZ 0.00050 -0.00284 0.00228 0.00048 0.00071 79 7D 0 0.00141 0.00049 0.00054 0.00181 0.00127 80 7D+1 0.00207 0.00130 -0.00169 0.00014 0.00128 81 7D-1 0.00104 0.00033 -0.00092 -0.00103 -0.00119 82 7D+2 -0.00058 -0.00186 0.00172 -0.00196 0.00028 83 7D-2 -0.00006 -0.00002 -0.00511 -0.00139 -0.00143 84 8D 0 0.00069 0.00012 0.00031 0.00091 0.00042 85 8D+1 0.00086 0.00053 -0.00066 -0.00006 0.00067 86 8D-1 0.00052 0.00028 -0.00034 -0.00054 -0.00033 87 8D+2 -0.00012 -0.00078 0.00061 -0.00087 0.00028 88 8D-2 -0.00017 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8D+2 0.00122 0.00021 0.00042 0.00084 0.00019 110 8D-2 0.00005 0.00123 0.00035 0.00014 0.00022 111 6 Cu 1S -0.00041 -0.00006 -0.00019 0.00037 -0.00002 112 2S -0.02792 -0.00675 0.00255 -0.00469 -0.00677 113 3S -0.11874 -0.00834 0.00856 -0.02413 -0.03011 114 4PX -0.00214 -0.00072 0.00078 -0.00071 -0.00273 115 4PY 0.01183 0.00176 -0.00078 0.00196 0.00110 116 4PZ -0.00526 -0.00106 -0.00059 0.00126 -0.00102 117 5PX 0.02937 0.00861 -0.01137 0.00677 0.01140 118 5PY -0.06837 -0.01988 0.00624 -0.01778 -0.01607 119 5PZ 0.02402 0.00355 0.00559 -0.01169 0.00409 120 6PX 0.00291 -0.00123 0.00260 -0.00206 -0.00177 121 6PY 0.00099 0.00229 -0.00339 0.00700 0.00015 122 6PZ -0.00393 0.00024 0.00361 -0.00737 -0.00218 123 7D 0 0.00357 -0.00082 0.00143 -0.00260 -0.00012 124 7D+1 -0.00003 0.00375 -0.00087 0.00009 0.00244 125 7D-1 -0.01650 -0.00634 0.00021 -0.00023 -0.00238 126 7D+2 -0.01370 0.00140 0.00286 0.00041 0.00083 127 7D-2 0.00473 0.00223 -0.00203 -0.00190 -0.00252 128 8D 0 0.00072 -0.00029 0.00015 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-0.00080 165 2S -0.00235 -0.00499 -0.00017 0.00389 0.00054 166 3S -0.00298 -0.00640 -0.00003 -0.00085 0.00526 167 4PX -0.01594 0.01422 0.00004 -0.00586 0.01092 168 4PY -0.01552 -0.00340 -0.00010 0.00973 -0.01812 169 4PZ 0.00783 0.01600 0.00054 -0.00255 0.00178 170 5PX -0.01087 0.00843 0.00005 -0.00263 0.00167 171 5PY -0.00948 -0.00072 -0.00010 0.00428 -0.00283 172 5PZ 0.00455 0.00933 0.00014 0.00017 0.00143 136 137 138 139 140 136 4PX 0.99806 137 4PY 0.00061 0.99747 138 4PZ 0.00056 -0.00088 0.99766 139 5PX 0.01764 -0.00512 -0.00477 0.02763 140 5PY -0.00512 0.02254 0.00755 -0.00207 0.02961 141 5PZ -0.00447 0.00706 0.02100 -0.00186 0.00295 142 6PX -0.01856 -0.00957 -0.00834 0.00408 0.00065 143 6PY -0.00956 -0.00947 0.01320 0.00065 0.00346 144 6PZ -0.00815 0.01292 -0.01325 0.00112 -0.00169 145 7D 0 -0.00059 0.00095 -0.00122 0.01570 -0.02491 146 7D+1 -0.00033 -0.00125 -0.00020 0.02106 0.01949 147 7D-1 -0.00125 0.00085 0.00030 0.01948 0.00255 148 7D+2 0.00127 0.00070 -0.00055 -0.03168 -0.02949 149 7D-2 -0.00048 -0.00054 -0.00117 0.02607 -0.00325 150 8D 0 -0.00022 0.00037 -0.00062 0.00508 -0.00805 151 8D+1 -0.00053 0.00005 0.00047 0.00645 0.00675 152 8D-1 0.00005 -0.00058 -0.00075 0.00675 0.00004 153 8D+2 0.00037 0.00065 0.00005 -0.01038 -0.00925 154 8D-2 -0.00066 0.00044 0.00010 0.00807 -0.00050 155 8 C 1S -0.00039 0.00063 0.00046 -0.00021 0.00031 156 2S 0.00114 -0.00181 -0.00148 0.00157 -0.00242 157 3S -0.00056 0.00086 0.00088 -0.00042 0.00065 158 4PX -0.00295 -0.00056 0.00048 0.00350 0.00508 159 4PY -0.00050 -0.00243 -0.00082 0.00504 -0.00155 160 4PZ -0.00096 0.00155 -0.00249 0.00216 -0.00347 161 5PX -0.00100 -0.00059 -0.00044 0.00424 -0.00012 162 5PY -0.00060 -0.00043 0.00071 -0.00017 0.00437 163 5PZ -0.00017 0.00027 -0.00124 0.00017 -0.00031 164 9 O 1S 0.00005 -0.00007 -0.00012 -0.00035 0.00056 165 2S -0.00019 0.00030 0.00038 0.00073 -0.00116 166 3S 0.00010 -0.00019 0.00040 0.00044 -0.00068 167 4PX 0.00273 0.00113 -0.00026 -0.00493 -0.00498 168 4PY 0.00106 0.00165 0.00048 -0.00485 0.00002 169 4PZ 0.00128 -0.00206 0.00248 -0.00285 0.00464 170 5PX 0.00142 0.00093 -0.00008 -0.00405 -0.00237 171 5PY 0.00090 0.00050 0.00014 -0.00229 -0.00171 172 5PZ 0.00062 -0.00101 0.00174 -0.00147 0.00240 141 142 143 144 145 141 5PZ 0.02914 142 6PX 0.00047 0.01576 143 6PY -0.00066 0.00339 0.01249 144 6PZ 0.00146 0.00257 -0.00418 0.01716 145 7D 0 0.03695 0.02343 -0.03681 0.05899 0.75383 146 7D+1 -0.00814 0.03409 0.03009 -0.01289 -0.00182 147 7D-1 0.01302 0.03011 0.00547 0.02055 0.00284 148 7D+2 0.00911 -0.04996 -0.04566 0.01445 0.00250 149 7D-2 0.01921 0.04015 -0.00440 0.03049 0.00527 150 8D 0 0.01182 0.00764 -0.01200 0.01920 0.24260 151 8D+1 -0.00219 0.01109 0.00981 -0.00421 -0.00054 152 8D-1 0.00352 0.00982 0.00176 0.00671 0.00090 153 8D+2 0.00317 -0.01631 -0.01491 0.00472 0.00069 154 8D-2 0.00669 0.01311 -0.00145 0.00996 0.00144 155 8 C 1S 0.00106 -0.00168 0.00285 -0.00175 0.00013 156 2S -0.00447 0.00427 -0.00733 0.00644 -0.00010 157 3S 0.00060 0.00356 -0.00563 -0.00565 -0.00364 158 4PX 0.00133 -0.01065 -0.00495 0.01185 0.00056 159 4PY -0.00210 -0.00421 -0.00543 -0.01983 -0.00084 160 4PZ 0.00480 -0.00404 0.00633 -0.00700 0.00436 161 5PX -0.00070 -0.00209 0.00021 -0.00007 -0.00072 162 5PY 0.00113 0.00020 -0.00233 0.00009 0.00122 163 5PZ 0.00464 -0.00030 0.00045 -0.00147 -0.00120 164 9 O 1S 0.00020 0.00172 -0.00322 0.00880 0.00009 165 2S -0.00055 -0.00370 0.00685 -0.01702 -0.00054 166 3S -0.00007 -0.00388 0.00753 -0.02552 0.00090 167 4PX 0.00057 -0.02666 -0.01171 -0.02055 -0.00021 168 4PY -0.00096 -0.01225 -0.01569 0.03263 0.00031 169 4PZ -0.00704 -0.00913 0.01380 -0.00886 -0.00406 170 5PX 0.00011 -0.01083 -0.00530 -0.00530 -0.00032 171 5PY -0.00019 -0.00536 -0.00575 0.00824 0.00045 172 5PZ -0.00499 -0.00397 0.00605 -0.00394 -0.00182 146 147 148 149 150 146 7D+1 0.74777 147 7D-1 0.00175 0.74618 148 7D+2 -0.00579 -0.00279 0.75168 149 7D-2 0.00176 0.00290 -0.00224 0.74800 150 8D 0 -0.00052 0.00085 0.00069 0.00143 0.07814 151 8D+1 0.24107 0.00044 -0.00153 0.00031 -0.00015 152 8D-1 0.00044 0.24064 -0.00063 0.00094 0.00026 153 8D+2 -0.00156 -0.00066 0.24243 -0.00069 0.00018 154 8D-2 0.00035 0.00092 -0.00070 0.24132 0.00037 155 8 C 1S -0.00124 0.00195 -0.00066 -0.00140 -0.00004 156 2S 0.00442 -0.00700 0.00240 0.00509 0.00018 157 3S -0.00741 0.01204 -0.00502 -0.01049 -0.00114 158 4PX 0.00014 0.00554 -0.00508 -0.00066 0.00024 159 4PY 0.00559 -0.00529 -0.00043 0.00526 -0.00037 160 4PZ -0.00049 0.00075 0.00134 0.00279 0.00168 161 5PX 0.00033 -0.00265 0.00076 0.00138 -0.00025 162 5PY -0.00274 0.00283 -0.00106 -0.00240 0.00043 163 5PZ -0.00075 0.00133 -0.00005 -0.00035 -0.00036 164 9 O 1S 0.00013 -0.00020 0.00010 0.00022 0.00007 165 2S -0.00064 0.00105 -0.00052 -0.00108 -0.00025 166 3S 0.00141 -0.00238 0.00090 0.00188 0.00017 167 4PX -0.00114 -0.00309 0.00381 -0.00046 -0.00022 168 4PY -0.00311 0.00190 0.00111 -0.00285 0.00033 169 4PZ 0.00153 -0.00233 -0.00057 -0.00121 -0.00151 170 5PX -0.00117 -0.00036 0.00138 -0.00099 -0.00014 171 5PY -0.00034 -0.00083 0.00118 0.00008 0.00020 172 5PZ 0.00020 -0.00034 -0.00066 -0.00129 -0.00072 151 152 153 154 155 151 8D+1 0.07781 152 8D-1 0.00008 0.07772 153 8D+2 -0.00038 -0.00013 0.07827 154 8D-2 0.00004 0.00027 -0.00020 0.07795 155 8 C 1S -0.00052 0.00082 -0.00031 -0.00065 1.04630 156 2S 0.00150 -0.00237 0.00087 0.00184 -0.09692 157 3S -0.00244 0.00396 -0.00164 -0.00342 -0.09836 158 4PX 0.00023 0.00174 -0.00192 0.00011 0.01221 159 4PY 0.00175 -0.00148 -0.00048 0.00157 -0.01978 160 4PZ -0.00032 0.00050 0.00053 0.00109 -0.00669 161 5PX 0.00011 -0.00084 0.00017 0.00046 0.01211 162 5PY -0.00087 0.00089 -0.00037 -0.00073 -0.01975 163 5PZ -0.00021 0.00039 0.00004 0.00001 -0.00467 164 9 O 1S 0.00002 -0.00004 0.00001 0.00003 0.00616 165 2S -0.00017 0.00030 -0.00012 -0.00027 -0.01023 166 3S 0.00041 -0.00069 0.00026 0.00055 0.00908 167 4PX -0.00064 -0.00101 0.00119 -0.00029 0.02895 168 4PY -0.00101 0.00036 0.00049 -0.00070 -0.04752 169 4PZ 0.00040 -0.00060 -0.00021 -0.00045 -0.00381 170 5PX -0.00048 -0.00017 0.00049 -0.00035 0.00444 171 5PY -0.00016 -0.00032 0.00043 0.00003 -0.00739 172 5PZ 0.00001 -0.00002 -0.00026 -0.00052 0.00165 156 157 158 159 160 156 2S 0.24873 157 3S 0.19093 0.21443 158 4PX -0.01626 -0.07688 0.21358 159 4PY 0.02624 0.12520 -0.07151 0.28611 160 4PZ 0.01117 0.02926 -0.01712 0.02784 0.17693 161 5PX -0.02368 -0.01929 0.02039 0.01347 0.00121 162 5PY 0.03882 0.03149 0.01348 0.00650 -0.00205 163 5PZ 0.00520 0.00641 0.00118 -0.00200 0.02937 164 9 O 1S -0.00595 0.01879 -0.01848 0.03019 0.00518 165 2S 0.00630 -0.04314 0.04529 -0.07401 -0.01252 166 3S -0.04657 -0.04704 -0.00539 0.00887 0.00040 167 4PX -0.07487 0.00083 0.09621 0.23053 0.03622 168 4PY 0.12288 -0.00140 0.23050 -0.13968 -0.05918 169 4PZ 0.01016 -0.00025 0.03692 -0.06033 0.22717 170 5PX -0.01130 0.00064 0.05296 0.05786 0.00898 171 5PY 0.01873 -0.00094 0.05771 -0.00602 -0.01463 172 5PZ -0.00226 -0.00267 0.01189 -0.01942 0.08512 161 162 163 164 165 161 5PX 0.00824 162 5PY -0.00268 0.01098 163 5PZ -0.00053 0.00084 0.00710 164 9 O 1S 0.00200 -0.00333 0.00097 1.05922 165 2S -0.00124 0.00213 -0.00237 -0.12928 0.30133 166 3S 0.00459 -0.00742 -0.00350 -0.12418 0.26155 167 4PX 0.03212 -0.00126 0.00034 -0.01012 0.01800 168 4PY -0.00113 0.03332 -0.00068 0.01659 -0.02960 169 4PZ -0.00188 0.00298 0.03355 0.00167 -0.00131 170 5PX 0.00885 0.00250 0.00038 -0.00909 0.02184 171 5PY 0.00254 0.00624 -0.00067 0.01491 -0.03582 172 5PZ -0.00025 0.00038 0.01120 0.00160 -0.00335 166 167 168 169 170 166 3S 0.26834 167 4PX 0.08134 0.41835 168 4PY -0.13308 -0.00347 0.42156 169 4PZ -0.01902 -0.00346 0.00565 0.41707 170 5PX 0.03036 0.14249 0.03677 0.00567 0.05410 171 5PY -0.04965 0.03693 0.10460 -0.00932 0.02022 172 5PZ -0.00726 0.00270 -0.00442 0.16431 0.00285 171 172 171 5PY 0.03337 172 5PZ -0.00467 0.06599 Full Mulliken population analysis: 1 2 3 4 5 1 1 Cu 1S 2.01074 2 2S -0.00366 0.35068 3 3S 0.00253 0.12308 0.41119 4 4PX 0.00000 0.00000 0.00000 1.99410 5 4PY 0.00000 0.00000 0.00000 0.00000 1.99332 6 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 7 5PX 0.00000 0.00000 0.00000 0.00417 0.00000 8 5PY 0.00000 0.00000 0.00000 0.00000 0.00507 9 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 6PX 0.00000 0.00000 0.00000 -0.00108 0.00000 11 6PY 0.00000 0.00000 0.00000 0.00000 -0.00029 12 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 14 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 15 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 16 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 17 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 18 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 19 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 2 Cu 1S 0.00000 -0.00030 -0.00001 0.00000 0.00000 24 2S -0.00032 0.04197 0.00646 -0.00023 -0.00014 25 3S -0.00002 0.00646 -0.08035 -0.00016 -0.00003 26 4PX 0.00000 -0.00024 -0.00002 0.00000 0.00000 27 4PY 0.00000 -0.00019 -0.00011 0.00000 0.00000 28 4PZ 0.00000 -0.00068 -0.00037 0.00000 0.00000 29 5PX -0.00003 0.00277 -0.00321 -0.00001 0.00001 30 5PY -0.00005 0.00689 0.00067 0.00007 -0.00001 31 5PZ -0.00018 0.01872 -0.00459 0.00002 -0.00020 32 6PX 0.00002 -0.00263 -0.00682 0.00017 0.00000 33 6PY -0.00006 -0.00031 -0.00441 0.00005 0.00009 34 6PZ -0.00013 -0.00783 -0.01767 0.00010 0.00001 35 7D 0 0.00000 0.00017 0.00019 0.00000 0.00000 36 7D+1 0.00000 0.00009 0.00037 0.00000 0.00000 37 7D-1 0.00000 0.00036 0.00045 0.00000 0.00000 38 7D+2 0.00000 -0.00001 0.00000 0.00000 0.00000 39 7D-2 0.00000 0.00002 0.00002 0.00000 0.00000 40 8D 0 0.00001 0.00058 0.00096 -0.00006 -0.00005 41 8D+1 0.00000 0.00037 0.00178 0.00001 -0.00004 42 8D-1 0.00003 0.00142 0.00219 -0.00004 0.00001 43 8D+2 0.00000 -0.00004 0.00001 -0.00001 -0.00001 44 8D-2 0.00000 -0.00003 0.00010 0.00001 0.00000 45 3 Cu 1S 0.00000 0.00000 -0.00005 0.00000 0.00000 46 2S 0.00000 -0.00470 -0.00389 0.00000 0.00000 47 3S -0.00005 -0.00414 0.01738 -0.00001 0.00002 48 4PX 0.00000 0.00000 0.00001 0.00000 0.00000 49 4PY 0.00000 -0.00001 0.00007 0.00000 0.00000 50 4PZ 0.00000 0.00000 0.00003 0.00000 0.00000 51 5PX 0.00000 0.00040 0.00008 -0.00001 0.00000 52 5PY -0.00001 0.00209 -0.00043 0.00000 0.00001 53 5PZ -0.00001 -0.00016 -0.00130 0.00000 -0.00001 54 6PX -0.00001 -0.00011 -0.00049 0.00007 0.00000 55 6PY 0.00003 0.00117 0.00955 -0.00001 0.00000 56 6PZ 0.00008 0.00915 0.01644 0.00000 0.00001 57 7D 0 0.00000 0.00000 -0.00005 0.00000 0.00000 58 7D+1 0.00000 0.00000 0.00001 0.00000 0.00000 59 7D-1 0.00000 -0.00002 -0.00028 0.00000 0.00000 60 7D+2 0.00000 -0.00001 -0.00003 0.00000 0.00000 61 7D-2 0.00000 0.00000 -0.00001 0.00000 0.00000 62 8D 0 0.00000 -0.00004 -0.00031 0.00000 0.00000 63 8D+1 0.00000 -0.00001 0.00003 0.00000 0.00000 64 8D-1 0.00000 -0.00029 -0.00164 0.00000 0.00000 65 8D+2 0.00000 -0.00008 -0.00020 0.00000 0.00000 66 8D-2 0.00000 -0.00001 -0.00003 0.00000 0.00000 67 4 Cu 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 68 2S 0.00000 -0.00470 -0.00376 -0.00001 0.00000 69 3S -0.00003 -0.00384 0.01773 0.00010 0.00004 70 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 71 4PY 0.00000 -0.00001 0.00010 0.00000 0.00000 72 4PZ 0.00000 -0.00001 0.00004 0.00000 0.00000 73 5PX -0.00001 -0.00136 -0.00133 0.00002 0.00000 74 5PY -0.00001 0.00186 -0.00074 -0.00001 0.00001 75 5PZ 0.00000 0.00183 0.00027 -0.00001 -0.00001 76 6PX 0.00007 0.00634 0.01180 0.00000 0.00001 77 6PY 0.00005 0.00278 0.01282 0.00007 0.00001 78 6PZ -0.00001 0.00122 0.00134 0.00005 0.00000 79 7D 0 0.00000 0.00000 -0.00004 0.00000 0.00000 80 7D+1 0.00000 -0.00001 -0.00003 0.00000 0.00000 81 7D-1 0.00000 -0.00001 -0.00008 0.00000 0.00000 82 7D+2 0.00000 0.00000 0.00001 0.00000 0.00000 83 7D-2 0.00000 -0.00001 -0.00020 0.00000 0.00000 84 8D 0 0.00000 -0.00002 -0.00024 0.00000 0.00000 85 8D+1 0.00000 -0.00009 -0.00020 0.00000 0.00000 86 8D-1 0.00000 -0.00013 -0.00050 0.00000 0.00000 87 8D+2 0.00000 -0.00001 0.00002 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157 3S -0.00019 0.00022 0.00049 0.00133 0.00000 158 4PX -0.00001 -0.00009 -0.00030 0.00040 0.00000 159 4PY -0.00002 -0.00028 0.00009 0.00105 0.00000 160 4PZ 0.00000 -0.00006 -0.00013 0.00001 0.00000 161 5PX -0.00004 -0.00014 0.00000 -0.00003 0.00000 162 5PY -0.00012 -0.00002 0.00025 -0.00006 0.00000 163 5PZ -0.00006 0.00016 0.00044 -0.00003 0.00000 164 9 O 1S 0.00000 0.00001 0.00002 -0.00004 0.00000 165 2S 0.00000 -0.00010 -0.00032 0.00053 0.00000 166 3S 0.00000 -0.00026 -0.00083 0.00193 0.00000 167 4PX 0.00000 0.00005 -0.00013 -0.00016 0.00000 168 4PY 0.00000 -0.00014 0.00025 -0.00040 0.00000 169 4PZ 0.00000 -0.00009 -0.00021 0.00001 0.00000 170 5PX 0.00000 0.00008 -0.00037 -0.00024 0.00000 171 5PY 0.00000 -0.00036 0.00052 -0.00059 0.00000 172 5PZ 0.00000 -0.00024 -0.00060 0.00002 0.00000 146 147 148 149 150 146 7D+1 1.49296 147 7D-1 0.00000 1.49304 148 7D+2 0.00000 0.00000 1.49917 149 7D-2 0.00000 0.00000 0.00000 1.49410 150 8D 0 0.00000 0.00000 0.00000 0.00000 0.15839 151 8D+1 0.14445 0.00000 0.00000 0.00000 0.00000 152 8D-1 0.00000 0.14452 0.00000 0.00000 0.00000 153 8D+2 0.00000 0.00000 0.14515 0.00000 0.00000 154 8D-2 0.00000 0.00000 0.00000 0.14467 0.00000 155 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 156 2S 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S 0.00000 0.00000 0.00000 0.00000 0.00000 158 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 162 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 163 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 164 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 8D+1 0.15780 152 8D-1 0.00000 0.15798 153 8D+2 0.00000 0.00000 0.15862 154 8D-2 0.00000 0.00000 0.00000 0.15815 155 8 C 1S 0.00000 0.00000 0.00000 0.00000 2.09434 156 2S 0.00000 0.00000 0.00000 0.00000 -0.04985 157 3S 0.00000 0.00001 0.00000 0.00001 -0.03665 158 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 159 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 5PX 0.00000 0.00001 0.00000 0.00000 0.00000 162 5PY 0.00001 0.00001 0.00000 0.00001 0.00000 163 5PZ 0.00000 0.00000 0.00000 -0.00001 0.00000 164 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2S 0.00000 0.00000 0.00000 0.00000 -0.00027 166 3S 0.00000 0.00000 0.00000 0.00000 0.00147 167 4PX 0.00000 0.00000 0.00000 0.00000 -0.00142 168 4PY 0.00000 0.00000 0.00000 0.00000 -0.00379 169 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00008 170 5PX 0.00000 0.00000 0.00000 0.00000 -0.00069 171 5PY 0.00000 0.00000 0.00000 0.00000 -0.00185 172 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00003 156 157 158 159 160 156 2S 0.51130 157 3S 0.31876 0.45382 158 4PX 0.00000 0.00000 0.43383 159 4PY 0.00000 0.00000 0.00000 0.58737 160 4PZ 0.00000 0.00000 0.00000 0.00000 0.37772 161 5PX 0.00000 0.00000 0.02214 0.00000 0.00000 162 5PY 0.00000 0.00000 0.00000 0.00767 0.00000 163 5PZ 0.00000 0.00000 0.00000 0.00000 0.03843 164 9 O 1S -0.00032 0.00221 -0.00137 -0.00366 -0.00007 165 2S 0.00206 -0.02796 0.01753 0.04693 0.00092 166 3S -0.03892 -0.05716 -0.00197 -0.00519 -0.00038 167 4PX 0.02076 -0.00068 0.00670 0.09590 0.00193 168 4PY 0.05557 -0.00203 0.09590 0.05046 0.00510 169 4PZ 0.00118 0.00051 0.00191 0.00507 0.06734 170 5PX 0.00659 -0.00103 0.02506 0.02782 0.00052 171 5PY 0.01760 -0.00304 0.02779 0.00007 0.00134 172 5PZ 0.00048 0.00074 0.00059 0.00154 0.05883 161 162 163 164 165 161 5PX 0.01638 162 5PY 0.00000 0.02196 163 5PZ 0.00000 0.00000 0.02150 164 9 O 1S 0.00017 0.00046 -0.00001 2.11855 165 2S -0.00054 -0.00148 0.00013 -0.07068 0.60393 166 3S 0.00292 0.00781 0.00030 -0.04557 0.41442 167 4PX 0.00859 -0.00014 -0.00004 0.00000 0.00000 168 4PY -0.00013 0.00348 -0.00011 0.00000 0.00000 169 4PZ -0.00005 -0.00015 0.00993 0.00000 0.00000 170 5PX 0.00877 0.00105 -0.00002 0.00000 0.00000 171 5PY 0.00106 0.00353 -0.00007 0.00000 0.00000 172 5PZ -0.00003 -0.00011 0.00885 0.00000 0.00000 166 167 168 169 170 166 3S 0.53821 167 4PX 0.00000 0.83693 168 4PY 0.00000 0.00000 0.84798 169 4PZ 0.00000 0.00000 0.00000 0.85134 170 5PX 0.00000 0.14393 0.00000 0.00000 0.10780 171 5PY 0.00000 0.00000 0.10651 0.00000 0.00000 172 5PZ 0.00000 0.00000 0.00000 0.17104 0.00000 171 172 171 5PY 0.06720 172 5PZ 0.00000 0.13804 Gross orbital populations: TOTAL ALPHA BETA SPIN 1 1 Cu 1S 2.00513 1.00256 1.00257 -0.00001 2 2S 0.67270 0.33397 0.33873 -0.00476 3 3S 0.21265 0.09876 0.11389 -0.01512 4 4PX 1.99482 0.99744 0.99739 0.00005 5 4PY 1.99470 0.99740 0.99729 0.00011 6 4PZ 1.99472 0.99741 0.99730 0.00011 7 5PX 0.11690 0.06386 0.05304 0.01082 8 5PY 0.09622 0.06723 0.02900 0.03823 9 5PZ 0.09947 0.06105 0.03842 0.02264 10 6PX -0.00883 -0.00218 -0.00665 0.00447 11 6PY 0.00536 0.00561 -0.00025 0.00586 12 6PZ -0.00081 0.00148 -0.00229 0.00377 13 7D 0 1.64765 0.82580 0.82186 0.00394 14 7D+1 1.63608 0.81867 0.81742 0.00125 15 7D-1 1.65824 0.82893 0.82931 -0.00038 16 7D+2 1.64151 0.82380 0.81772 0.00608 17 7D-2 1.65469 0.82705 0.82764 -0.00059 18 8D 0 0.32186 0.16066 0.16121 -0.00055 19 8D+1 0.32367 0.16173 0.16195 -0.00022 20 8D-1 0.32153 0.16086 0.16066 0.00020 21 8D+2 0.32337 0.16121 0.16216 -0.00095 22 8D-2 0.32205 0.16112 0.16093 0.00019 23 2 Cu 1S 2.00510 1.00255 1.00255 -0.00001 24 2S 0.67902 0.33871 0.34031 -0.00160 25 3S 0.21434 0.09994 0.11441 -0.01447 26 4PX 1.99436 0.99721 0.99715 0.00006 27 4PY 1.99493 0.99751 0.99742 0.00009 28 4PZ 1.99491 0.99749 0.99742 0.00007 29 5PX 0.06737 0.03767 0.02970 0.00797 30 5PY 0.11319 0.07045 0.04274 0.02771 31 5PZ 0.12000 0.07276 0.04724 0.02552 32 6PX 0.00901 0.00417 0.00484 -0.00067 33 6PY -0.00610 -0.00124 -0.00487 0.00363 34 6PZ -0.00745 -0.00351 -0.00394 0.00044 35 7D 0 1.65073 0.82584 0.82489 0.00096 36 7D+1 1.65210 0.82618 0.82592 0.00026 37 7D-1 1.64006 0.82176 0.81830 0.00346 38 7D+2 1.64329 0.82350 0.81979 0.00372 39 7D-2 1.65145 0.82622 0.82523 0.00099 40 8D 0 0.32269 0.16132 0.16137 -0.00006 41 8D+1 0.32223 0.16116 0.16107 0.00008 42 8D-1 0.32336 0.16143 0.16192 -0.00049 43 8D+2 0.32227 0.16081 0.16146 -0.00065 44 8D-2 0.32158 0.16076 0.16081 -0.00005 45 3 Cu 1S 2.00507 1.00253 1.00254 -0.00001 46 2S 0.68311 0.34154 0.34157 -0.00003 47 3S 0.21166 0.09871 0.11295 -0.01425 48 4PX 1.99489 0.99746 0.99743 0.00004 49 4PY 1.99472 0.99741 0.99731 0.00010 50 4PZ 1.99458 0.99732 0.99726 0.00006 51 5PX 0.11915 0.06396 0.05519 0.00877 52 5PY 0.08216 0.05188 0.03027 0.02161 53 5PZ 0.09105 0.05901 0.03204 0.02697 54 6PX -0.01325 -0.00641 -0.00683 0.00042 55 6PY -0.00641 -0.00544 -0.00098 -0.00446 56 6PZ 0.01195 0.00373 0.00822 -0.00450 57 7D 0 1.63902 0.82310 0.81593 0.00717 58 7D+1 1.65233 0.82654 0.82579 0.00075 59 7D-1 1.65656 0.82875 0.82781 0.00094 60 7D+2 1.64821 0.82398 0.82423 -0.00026 61 7D-2 1.64111 0.82048 0.82063 -0.00015 62 8D 0 0.32264 0.16081 0.16184 -0.00103 63 8D+1 0.32166 0.16080 0.16086 -0.00007 64 8D-1 0.32113 0.16053 0.16060 -0.00007 65 8D+2 0.32304 0.16158 0.16146 0.00011 66 8D-2 0.32320 0.16164 0.16156 0.00008 67 4 Cu 1S 2.00512 1.00256 1.00256 -0.00001 68 2S 0.67764 0.33783 0.33981 -0.00197 69 3S 0.21524 0.10035 0.11490 -0.01455 70 4PX 1.99458 0.99730 0.99727 0.00003 71 4PY 1.99467 0.99739 0.99727 0.00012 72 4PZ 1.99496 0.99752 0.99744 0.00008 73 5PX 0.09452 0.05430 0.04022 0.01408 74 5PY 0.08380 0.05374 0.03006 0.02368 75 5PZ 0.12437 0.07460 0.04977 0.02483 76 6PX 0.00777 0.00491 0.00287 0.00204 77 6PY -0.00045 0.00107 -0.00153 0.00260 78 6PZ -0.01151 -0.00485 -0.00666 0.00181 79 7D 0 1.65142 0.82543 0.82599 -0.00056 80 7D+1 1.64120 0.82299 0.81821 0.00477 81 7D-1 1.64910 0.82415 0.82495 -0.00080 82 7D+2 1.64385 0.82456 0.81930 0.00526 83 7D-2 1.65226 0.82658 0.82568 0.00090 84 8D 0 0.32359 0.16190 0.16168 0.00022 85 8D+1 0.32286 0.16104 0.16181 -0.00077 86 8D-1 0.32201 0.16115 0.16086 0.00029 87 8D+2 0.32144 0.16032 0.16112 -0.00080 88 8D-2 0.32236 0.16112 0.16124 -0.00013 89 5 Cu 1S 2.00513 1.00256 1.00257 -0.00001 90 2S 0.67197 0.33340 0.33856 -0.00516 91 3S 0.21106 0.09795 0.11311 -0.01516 92 4PX 1.99466 0.99735 0.99731 0.00004 93 4PY 1.99497 0.99754 0.99743 0.00012 94 4PZ 1.99461 0.99736 0.99725 0.00012 95 5PX 0.10374 0.06008 0.04366 0.01642 96 5PY 0.12081 0.07771 0.04310 0.03461 97 5PZ 0.08893 0.05547 0.03346 0.02200 98 6PX 0.00145 0.00218 -0.00073 0.00290 99 6PY -0.01087 -0.00161 -0.00926 0.00764 100 6PZ 0.00383 0.00352 0.00032 0.00320 101 7D 0 1.64256 0.82459 0.81797 0.00662 102 7D+1 1.65262 0.82634 0.82628 0.00006 103 7D-1 1.64950 0.82453 0.82497 -0.00044 104 7D+2 1.65433 0.82676 0.82758 -0.00082 105 7D-2 1.63926 0.82209 0.81717 0.00492 106 8D 0 0.32160 0.16026 0.16134 -0.00108 107 8D+1 0.32323 0.16162 0.16160 0.00002 108 8D-1 0.32136 0.16079 0.16056 0.00023 109 8D+2 0.32289 0.16158 0.16131 0.00027 110 8D-2 0.32341 0.16131 0.16210 -0.00079 111 6 Cu 1S 1.99758 0.99878 0.99880 -0.00003 112 2S 0.59666 0.33854 0.25812 0.08043 113 3S -0.15533 -0.06517 -0.09016 0.02499 114 4PX 1.99530 0.99765 0.99765 0.00000 115 4PY 1.99546 0.99772 0.99774 -0.00002 116 4PZ 1.99525 0.99763 0.99762 0.00002 117 5PX 0.26423 0.13592 0.12831 0.00761 118 5PY 0.29138 0.14824 0.14314 0.00511 119 5PZ 0.25430 0.13224 0.12206 0.01018 120 6PX -0.01573 -0.00787 -0.00786 -0.00001 121 6PY 0.02358 0.00898 0.01460 -0.00563 122 6PZ -0.02287 -0.00725 -0.01562 0.00837 123 7D 0 1.63459 0.81603 0.81856 -0.00252 124 7D+1 1.65350 0.83013 0.82337 0.00676 125 7D-1 1.64913 0.83375 0.81538 0.01838 126 7D+2 1.61800 0.80873 0.80927 -0.00054 127 7D-2 1.62174 0.81195 0.80979 0.00217 128 8D 0 0.30703 0.15412 0.15291 0.00122 129 8D+1 0.30325 0.15115 0.15209 -0.00094 130 8D-1 0.30216 0.14931 0.15285 -0.00354 131 8D+2 0.31092 0.15577 0.15516 0.00061 132 8D-2 0.30696 0.15334 0.15362 -0.00027 133 7 Cu 1S 2.00417 1.00208 1.00209 -0.00001 134 2S 0.61570 0.40876 0.20694 0.20182 135 3S 0.03251 0.06917 -0.03665 0.10582 136 4PX 1.99498 0.99748 0.99751 -0.00003 137 4PY 1.99464 0.99730 0.99734 -0.00004 138 4PZ 1.99479 0.99739 0.99740 -0.00001 139 5PX 0.15113 0.08692 0.06421 0.02271 140 5PY 0.13314 0.08093 0.05222 0.02871 141 5PZ 0.15061 0.09261 0.05800 0.03461 142 6PX 0.03714 0.02273 0.01442 0.00831 143 6PY 0.02087 0.02033 0.00054 0.01979 144 6PZ 0.01231 0.00848 0.00383 0.00466 145 7D 0 1.65098 0.82335 0.82763 -0.00428 146 7D+1 1.64129 0.81976 0.82153 -0.00177 147 7D-1 1.64121 0.82138 0.81983 0.00155 148 7D+2 1.64773 0.82218 0.82555 -0.00337 149 7D-2 1.64249 0.82071 0.82179 -0.00108 150 8D 0 0.31397 0.15864 0.15533 0.00331 151 8D+1 0.31654 0.15964 0.15690 0.00273 152 8D-1 0.31632 0.15929 0.15704 0.00225 153 8D+2 0.31514 0.15910 0.15605 0.00305 154 8D-2 0.31635 0.15947 0.15688 0.00259 155 8 C 1S 1.99853 0.99928 0.99925 0.00003 156 2S 0.88607 0.45079 0.43528 0.01550 157 3S 0.69318 0.35078 0.34241 0.00837 158 4PX 0.65100 0.32865 0.32235 0.00630 159 4PY 0.83940 0.42631 0.41309 0.01322 160 4PZ 0.58211 0.30526 0.27685 0.02840 161 5PX 0.07206 0.03568 0.03638 -0.00070 162 5PY 0.05020 0.02440 0.02580 -0.00140 163 5PZ 0.10626 0.06225 0.04401 0.01823 164 9 O 1S 1.99922 0.99961 0.99961 0.00000 165 2S 0.99005 0.49560 0.49445 0.00115 166 3S 0.83694 0.41782 0.41912 -0.00129 167 4PX 1.11119 0.55546 0.55573 -0.00027 168 4PY 1.15459 0.57931 0.57528 0.00404 169 4PZ 1.10740 0.56220 0.54520 0.01700 170 5PX 0.31776 0.15816 0.15960 -0.00144 171 5PY 0.21734 0.10769 0.10964 -0.00195 172 5PZ 0.37399 0.18700 0.18700 0.00000 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.043029 -0.022657 0.069419 0.073991 -0.020818 -0.077625 2 Cu -0.022657 19.040694 -0.019872 0.071551 0.072744 -0.078652 3 Cu 0.069419 -0.019872 19.037543 -0.020634 0.069135 -0.080508 4 Cu 0.073991 0.071551 -0.020634 19.041506 -0.022654 -0.077250 5 Cu -0.020818 0.072744 0.069135 -0.022654 19.041081 -0.077373 6 Cu -0.077625 -0.078652 -0.080508 -0.077250 -0.077373 19.235097 7 Cu -0.035872 -0.041740 -0.048589 -0.041054 -0.035796 -0.100924 8 C 0.013629 0.008766 0.009746 0.008969 0.014639 0.150046 9 O -0.009400 -0.002391 0.001343 -0.003632 -0.009914 0.034280 7 8 9 1 Cu -0.035872 0.013629 -0.009400 2 Cu -0.041740 0.008766 -0.002391 3 Cu -0.048589 0.009746 0.001343 4 Cu -0.041054 0.008969 -0.003632 5 Cu -0.035796 0.014639 -0.009914 6 Cu -0.100924 0.150046 0.034280 7 Cu 19.246692 0.003108 -0.001783 8 C 0.003108 5.119225 0.550698 9 O -0.001783 0.550698 7.549282 Mulliken atomic charges: 1 1 Cu -0.033696 2 Cu -0.028444 3 Cu -0.017583 4 Cu -0.030794 5 Cu -0.031043 6 Cu 0.072910 7 Cu 0.055959 8 C 0.121174 9 O -0.108482 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.033696 2 Cu -0.028444 3 Cu -0.017583 4 Cu -0.030794 5 Cu -0.031043 6 Cu 0.072910 7 Cu 0.055959 8 C 0.121174 9 O -0.108482 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.031497 -0.002848 0.005002 0.006164 -0.003234 0.009334 2 Cu -0.002848 0.024964 -0.003792 0.005512 0.005932 0.010895 3 Cu 0.005002 -0.003792 0.020137 -0.003656 0.005006 0.009051 4 Cu 0.006164 0.005512 -0.003656 0.026739 -0.002795 0.011533 5 Cu -0.003234 0.005932 0.005006 -0.002795 0.031390 0.008335 6 Cu 0.009334 0.010895 0.009051 0.011533 0.008335 0.177661 7 Cu 0.030575 0.019080 0.011651 0.020626 0.031928 -0.064164 8 C -0.001133 -0.002871 -0.000997 -0.003150 -0.000504 -0.009820 9 O -0.000226 0.000104 -0.000193 0.000146 -0.000342 -0.000496 7 8 9 1 Cu 0.030575 -0.001133 -0.000226 2 Cu 0.019080 -0.002871 0.000104 3 Cu 0.011651 -0.000997 -0.000193 4 Cu 0.020626 -0.003150 0.000146 5 Cu 0.031928 -0.000504 -0.000342 6 Cu -0.064164 -0.009820 -0.000496 7 Cu 0.382950 -0.001414 0.000090 8 C -0.001414 0.132622 -0.024769 9 O 0.000090 -0.024769 0.042916 Mulliken atomic spin densities: 1 1 Cu 0.075132 2 Cu 0.056977 3 Cu 0.042210 4 Cu 0.061119 5 Cu 0.075717 6 Cu 0.152329 7 Cu 0.431322 8 C 0.087964 9 O 0.017230 Sum of Mulliken spin densities= 1.00000 APT atomic charges: 1 1 Cu 0.009443 2 Cu 0.002773 3 Cu -0.005506 4 Cu 0.004432 5 Cu 0.010247 6 Cu -0.098692 7 Cu -0.064947 8 C 1.180104 9 O -1.037854 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.009443 2 Cu 0.002773 3 Cu -0.005506 4 Cu 0.004432 5 Cu 0.010247 6 Cu -0.098692 7 Cu -0.064947 8 C 1.180104 9 O -1.037854 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 2868.7263 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0112 Y= 0.0051 Z= -0.4590 Tot= 0.4591 Quadrupole moment (field-independent basis, Debye-Ang): XX= -100.8796 YY= -105.7484 ZZ= -102.3840 XY= 5.0269 XZ= 3.4894 YZ= -5.5292 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.1244 YY= -2.7444 ZZ= 0.6200 XY= 5.0269 XZ= 3.4894 YZ= -5.5292 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 63.2426 YYY= -98.7430 ZZZ= -67.9253 XYY= 19.2860 XXY= -32.9564 XXZ= -22.4347 XZZ= 25.7688 YZZ= -41.1694 YYZ= -25.1884 XYZ= 3.0981 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1126.8540 YYYY= -1417.1818 ZZZZ= -1051.9906 XXXY= 135.5440 XXXZ= 65.2230 YYYX= 156.9263 YYYZ= -118.4461 ZZZX= 60.3335 ZZZY= -97.7173 XXYY= -434.7535 XXZZ= -364.5883 YYZZ= -408.4948 XXYZ= -40.3755 YYXZ= 33.1954 ZZXY= 44.3049 N-N= 1.707327387782D+03 E-N=-7.043669017760D+03 KE= 1.004842313152D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.26389 29.12397 2 O -10.34592 15.96875 3 O -4.34458 2.68611 4 O -4.29805 2.68655 5 O -4.29614 2.68621 6 O -4.29580 2.68767 7 O -4.29563 2.68798 8 O -4.29495 2.68654 9 O -4.29473 2.68928 10 O -2.85547 5.08032 11 O -2.84886 5.08673 12 O -2.84823 5.08634 13 O -2.80601 5.07423 14 O -2.80598 5.07390 15 O -2.80531 5.07278 16 O -2.80456 5.08633 17 O -2.80446 5.08413 18 O -2.80394 5.07562 19 O -2.80389 5.08434 20 O -2.80338 5.08818 21 O -2.80319 5.08267 22 O -2.80306 5.09501 23 O -2.80229 5.09802 24 O -2.80212 5.09109 25 O -2.80205 5.09500 26 O -2.80178 5.09149 27 O -2.80161 5.09120 28 O -2.80138 5.10055 29 O -2.80084 5.08976 30 O -2.80065 5.09206 31 O -1.18009 2.85391 32 O -0.58225 2.51286 33 O -0.48270 2.12064 34 O -0.47639 2.02644 35 O -0.46380 2.32103 36 O -0.36104 2.02830 37 O -0.33859 7.82165 38 O -0.33821 7.74940 39 O -0.32763 8.72257 40 O -0.32755 8.72274 41 O -0.32435 7.23913 42 O -0.30844 7.55288 43 O -0.30818 8.35299 44 O -0.30770 7.98703 45 O -0.30754 8.47738 46 O -0.30733 8.51298 47 O -0.30145 8.42294 48 O -0.29199 8.65713 49 O -0.29180 8.68144 50 O -0.29149 8.93077 51 O -0.29118 8.92122 52 O -0.27969 9.17850 53 O -0.27916 9.06921 54 O -0.27908 9.08059 55 O -0.27879 9.17666 56 O -0.27315 8.63969 57 O -0.27269 8.64342 58 O -0.27143 8.78612 59 O -0.26812 9.48758 60 O -0.26729 9.48226 61 O -0.26693 9.32987 62 O -0.26679 9.31639 63 O -0.26538 9.27022 64 O -0.26151 9.57959 65 O -0.26106 9.57409 66 O -0.25947 9.64035 67 O -0.25930 9.52569 68 O -0.25926 9.59717 69 O -0.25303 9.68490 70 O -0.25290 9.71768 71 O -0.25212 9.69097 72 O -0.20693 2.73840 73 O -0.20685 2.73591 74 O -0.14715 1.78759 75 V -0.08374 1.79180 76 V -0.08110 1.52050 77 V -0.08051 0.79532 78 V -0.07983 1.21390 79 V -0.07387 1.05825 80 V -0.02619 0.81863 81 V -0.02215 0.86370 82 V -0.00470 0.63186 83 V -0.00330 0.72044 84 V 0.00387 0.60051 85 V 0.01112 0.50939 86 V 0.01124 0.50993 87 V 0.02061 0.51045 88 V 0.03300 0.42667 89 V 0.04210 0.31517 90 V 0.04222 0.31637 91 V 0.04522 0.31600 92 V 0.04638 0.33216 93 V 0.04647 0.32958 94 V 0.05115 0.35130 95 V 0.05199 0.35666 96 V 0.06311 0.41339 97 V 0.06329 0.44387 98 V 0.07218 0.35124 99 V 0.07266 0.35935 100 V 0.07979 0.36154 101 V 0.07996 0.37931 102 V 0.08530 0.70240 103 V 0.09069 0.45385 104 V 0.09072 0.45624 105 V 0.09473 0.23301 106 V 0.09686 0.26320 107 V 0.11159 0.16890 108 V 0.14448 0.84927 109 V 0.14474 0.85377 110 V 0.17295 1.15394 111 V 0.18594 1.08441 112 V 0.18841 1.27452 113 V 0.21218 1.09354 114 V 0.24382 1.21083 115 V 0.24592 1.18937 116 V 0.24813 1.22208 117 V 0.25590 1.38552 118 V 0.27493 1.66685 119 V 0.28642 1.06799 120 V 0.30664 1.60476 121 V 0.31601 1.58878 122 V 0.33586 1.65238 123 V 0.40082 1.38639 124 V 0.41375 1.36985 125 V 0.54083 2.74192 126 V 0.63708 4.56656 127 V 0.63723 4.57227 128 V 0.65197 3.50773 129 V 0.67266 3.94144 130 V 0.67640 3.92978 131 V 0.68034 3.64820 132 V 0.68492 3.81360 133 V 0.68798 3.39630 134 V 0.71525 4.23569 135 V 0.72920 4.06581 136 V 0.74498 3.76373 137 V 0.79120 4.06268 138 V 0.79970 3.93462 139 V 0.85142 3.19727 140 V 0.85710 4.34341 141 V 0.85926 4.36262 142 V 0.86382 4.33835 143 V 0.86766 4.30889 144 V 0.87814 4.42108 145 V 0.87923 4.38190 146 V 0.97618 4.48214 147 V 0.97692 4.43903 148 V 0.98494 4.19641 149 V 1.04035 4.43930 150 V 1.04141 4.44605 151 V 1.06165 4.48713 152 V 1.09665 4.37011 153 V 1.15576 4.20892 154 V 1.16172 4.21748 155 V 1.21976 4.66128 156 V 1.24819 4.65206 157 V 1.24850 4.65124 158 V 1.27510 4.66160 159 V 1.27870 4.66072 160 V 1.32532 4.69011 161 V 1.32683 4.68052 162 V 1.33927 4.71496 163 V 1.34344 4.64868 164 V 1.35089 4.74287 165 V 1.64009 3.49985 166 V 1.79807 2.10583 167 V 1.80481 2.02884 168 V 1.82086 2.02511 169 V 2.17677 1.30305 170 V 2.24174 1.55824 171 V 2.55829 1.39801 172 V 9.39938 2.85827 Orbital energies and kinetic energies (beta): 1 2 1 O -19.26306 29.12461 2 O -10.34411 15.96959 3 O -4.34241 2.68604 4 O -4.29724 2.68663 5 O -4.29551 2.68634 6 O -4.29513 2.68764 7 O -4.29495 2.68786 8 O -4.29422 2.68649 9 O -4.29400 2.68924 10 O -2.85318 5.08096 11 O -2.84699 5.08667 12 O -2.84598 5.08626 13 O -2.80518 5.07524 14 O -2.80518 5.07552 15 O -2.80455 5.07068 16 O -2.80391 5.07533 17 O -2.80377 5.08166 18 O -2.80346 5.08357 19 O -2.80332 5.08168 20 O -2.80287 5.08986 21 O -2.80271 5.08831 22 O -2.80231 5.09717 23 O -2.80189 5.09735 24 O -2.80178 5.09704 25 O -2.80131 5.10046 26 O -2.80117 5.09041 27 O -2.80074 5.09120 28 O -2.80055 5.09100 29 O -2.79968 5.08956 30 O -2.79949 5.09194 31 O -1.17814 2.85199 32 O -0.57903 2.51802 33 O -0.47889 2.12978 34 O -0.47530 2.02960 35 O -0.45699 2.28125 36 O -0.35569 2.25398 37 O -0.33746 7.84498 38 O -0.33675 7.73256 39 O -0.32580 8.72779 40 O -0.32570 8.73542 41 O -0.31965 7.20429 42 O -0.30707 8.37337 43 O -0.30687 8.37750 44 O -0.30653 8.53080 45 O -0.30640 8.55087 46 O -0.30553 7.26286 47 O -0.29963 8.33783 48 O -0.29135 8.62142 49 O -0.29117 8.63781 50 O -0.29062 8.99753 51 O -0.29031 8.97981 52 O -0.27837 9.19111 53 O -0.27789 9.09371 54 O -0.27783 9.09580 55 O -0.27754 9.17396 56 O -0.27191 8.70731 57 O -0.27183 8.71740 58 O -0.26805 9.46008 59 O -0.26748 8.89466 60 O -0.26719 9.48633 61 O -0.26594 9.37243 62 O -0.26548 9.22237 63 O -0.26142 9.31243 64 O -0.25961 9.58122 65 O -0.25929 9.71254 66 O -0.25881 9.57612 67 O -0.25767 9.54195 68 O -0.25764 9.53757 69 O -0.25257 9.71700 70 O -0.25161 9.69784 71 O -0.25078 9.70295 72 O -0.20394 2.63987 73 O -0.20358 2.63081 74 V -0.09998 1.73020 75 V -0.07970 0.79744 76 V -0.07952 0.88431 77 V -0.07709 1.84887 78 V -0.07696 1.20318 79 V -0.07038 1.51456 80 V -0.01750 0.73564 81 V -0.01529 0.73958 82 V -0.00317 0.67989 83 V -0.00255 0.74796 84 V 0.00984 0.44850 85 V 0.01143 0.50306 86 V 0.01149 0.50393 87 V 0.02329 0.55533 88 V 0.03422 0.42221 89 V 0.04218 0.31487 90 V 0.04231 0.31581 91 V 0.04724 0.31234 92 V 0.04735 0.31331 93 V 0.04844 0.34788 94 V 0.05344 0.35067 95 V 0.05404 0.35474 96 V 0.06512 0.46436 97 V 0.06527 0.44347 98 V 0.07256 0.34625 99 V 0.07304 0.34979 100 V 0.07977 0.37741 101 V 0.07998 0.39829 102 V 0.09089 0.45725 103 V 0.09091 0.46087 104 V 0.09176 0.70668 105 V 0.09547 0.23506 106 V 0.09801 0.31361 107 V 0.11133 0.16899 108 V 0.14735 0.84723 109 V 0.14806 0.85235 110 V 0.17600 1.13900 111 V 0.18817 1.06418 112 V 0.19149 1.27859 113 V 0.21495 1.12101 114 V 0.24683 1.17335 115 V 0.24777 1.17421 116 V 0.25253 1.24393 117 V 0.26105 1.38196 118 V 0.27801 1.65988 119 V 0.28658 1.06786 120 V 0.31089 1.61512 121 V 0.31887 1.56541 122 V 0.33982 1.64848 123 V 0.40375 1.39589 124 V 0.41472 1.37173 125 V 0.54357 2.71468 126 V 0.63997 4.55693 127 V 0.64018 4.56163 128 V 0.65547 3.52202 129 V 0.67425 3.94008 130 V 0.67812 3.95712 131 V 0.68238 3.62726 132 V 0.68615 3.80609 133 V 0.68903 3.41180 134 V 0.71667 4.23382 135 V 0.73070 4.03772 136 V 0.74730 3.73403 137 V 0.79497 4.07617 138 V 0.80285 3.95601 139 V 0.85442 3.24942 140 V 0.85962 4.27162 141 V 0.86169 4.30278 142 V 0.86747 4.36762 143 V 0.87056 4.33243 144 V 0.87939 4.42404 145 V 0.88075 4.36669 146 V 0.97843 4.47717 147 V 0.97913 4.43526 148 V 0.98758 4.19654 149 V 1.04296 4.44101 150 V 1.04403 4.44739 151 V 1.06309 4.48378 152 V 1.10086 4.36787 153 V 1.15783 4.20517 154 V 1.16329 4.21482 155 V 1.22613 4.66692 156 V 1.24953 4.65175 157 V 1.24973 4.65161 158 V 1.27945 4.65992 159 V 1.28299 4.65928 160 V 1.32907 4.68693 161 V 1.33125 4.67372 162 V 1.34158 4.70969 163 V 1.34352 4.64977 164 V 1.35271 4.73981 165 V 1.64131 3.50369 166 V 1.80125 2.09260 167 V 1.80529 2.03904 168 V 1.82098 2.02542 169 V 2.17805 1.30266 170 V 2.24311 1.55808 171 V 2.56166 1.39612 172 V 9.40094 2.85820 Total kinetic energy from orbitals= 1.004842313152D+03 Exact polarizability: 267.736 -8.118 276.572 0.651 -0.593 254.947 Approx polarizability: 628.584 -3.348 634.413 20.495 -31.431 578.984 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00056 0.00020 0.00019 2 Cu(63) 0.00000 0.00043 0.00015 0.00014 3 Cu(63) 0.00000 0.00038 0.00014 0.00013 4 Cu(63) 0.00000 0.00044 0.00016 0.00015 5 Cu(63) 0.00000 0.00056 0.00020 0.00019 6 Cu(63) 0.00000 0.00053 0.00019 0.00018 7 Cu(63) 0.00001 0.01082 0.00386 0.00361 8 C(13) 0.08991 101.08012 36.06790 33.71670 9 O(17) 0.01357 -8.22869 -2.93620 -2.74479 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.043502 0.041095 0.002406 2 Atom 0.036580 -0.018611 -0.017969 3 Atom -0.040022 0.011499 0.028523 4 Atom 0.010462 0.019735 -0.030197 5 Atom 0.000549 -0.024623 0.024074 6 Atom -0.010155 -0.012248 0.022403 7 Atom 0.025885 -0.018063 -0.007821 8 Atom -0.027216 0.000290 0.026926 9 Atom -0.065229 -0.019519 0.084749 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.000171 -0.058648 -0.006230 2 Atom -0.005085 0.009835 0.049375 3 Atom -0.036970 -0.005213 -0.009030 4 Atom 0.024168 -0.040501 0.029477 5 Atom -0.051277 0.033257 0.033566 6 Atom 0.002972 0.003767 -0.008111 7 Atom 0.045978 0.041316 -0.064526 8 Atom -0.021840 0.041579 -0.071770 9 Atom -0.037658 0.055104 -0.099230 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0836 -11.839 -4.224 -3.949 0.8250 0.0271 0.5644 1 Cu(63) Bbb 0.0365 5.172 1.846 1.725 -0.3917 0.7474 0.5367 Bcc 0.0471 6.667 2.379 2.224 0.4073 0.6638 -0.6272 Baa -0.0687 -9.730 -3.472 -3.246 -0.0997 -0.7035 0.7037 2 Cu(63) Bbb 0.0297 4.199 1.498 1.401 -0.3876 0.6788 0.6237 Bcc 0.0391 5.531 1.974 1.845 0.9164 0.2106 0.3403 Baa -0.0602 -8.523 -3.041 -2.843 0.8793 0.4659 0.0991 3 Cu(63) Bbb 0.0245 3.467 1.237 1.157 -0.3755 0.5500 0.7460 Bcc 0.0357 5.056 1.804 1.686 -0.2930 0.6932 -0.6585 Baa -0.0710 -10.047 -3.585 -3.351 0.5001 -0.3853 0.7755 4 Cu(63) Bbb 0.0308 4.358 1.555 1.454 -0.4519 0.6478 0.6133 Bcc 0.0402 5.689 2.030 1.898 0.7387 0.6572 -0.1498 Baa -0.0851 -12.044 -4.297 -4.017 0.5801 0.7119 -0.3957 5 Cu(63) Bbb 0.0372 5.271 1.881 1.758 -0.4912 0.6933 0.5272 Bcc 0.0478 6.772 2.417 2.259 0.6497 -0.1114 0.7520 Baa -0.0164 -2.317 -0.827 -0.773 -0.5275 0.8198 0.2228 6 Cu(63) Bbb -0.0081 -1.148 -0.410 -0.383 0.8449 0.5335 0.0375 Bcc 0.0245 3.465 1.236 1.156 0.0881 -0.2080 0.9741 Baa -0.1065 -15.082 -5.382 -5.031 -0.4230 0.6671 0.6132 7 Cu(63) Bbb 0.0516 7.305 2.607 2.437 0.2151 -0.5835 0.7831 Bcc 0.0549 7.777 2.775 2.594 0.8802 0.4632 0.1033 Baa -0.0637 -8.543 -3.048 -2.850 -0.3974 0.6217 0.6749 8 C(13) Bbb -0.0392 -5.264 -1.878 -1.756 0.8546 0.5186 0.0255 Bcc 0.1029 13.807 4.927 4.606 0.3342 -0.5870 0.7374 Baa -0.0864 6.255 2.232 2.086 0.8542 0.5193 0.0260 9 O(17) Bbb -0.0776 5.618 2.004 1.874 -0.4387 0.6929 0.5723 Bcc 0.1641 -11.872 -4.236 -3.960 0.2791 -0.5003 0.8197 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sun Apr 13 00:04:27 2008, MaxMem= 1258291200 cpu: 4.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l701.exe) Compute integral second derivatives. ... and contract with generalized density number 0. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2212 LenP2D= 12189. LDataN: DoStor=F MaxTD1= 6 Len= 172 LDataN: DoStor=T MaxTD1= 6 Len= 172 Leave Link 701 at Sun Apr 13 00:04:43 2008, MaxMem= 1258291200 cpu: 51.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l702.exe) L702 exits ... SP integral derivatives will be done elsewhere. Leave Link 702 at Sun Apr 13 00:04:43 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l703.exe) Compute integral second derivatives, UseDBF=F. Integral derivatives from FoFDir, PRISM(SPDF). Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Leave Link 703 at Sun Apr 13 00:07:16 2008, MaxMem= 1258291200 cpu: 603.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole = 4.38681617D-03 2.00717107D-03-1.80564934D-01 Polarizability= 2.67736359D+02-8.11767614D+00 2.76571938D+02 6.51380440D-01-5.92816529D-01 2.54946614D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000024674 -0.000111294 0.000162613 2 29 -0.000071207 0.000207082 -0.000253985 3 29 -0.000060851 -0.000036276 0.000011415 4 29 -0.000042959 0.000136507 -0.000230640 5 29 0.000077516 -0.000056456 0.000153714 6 29 -0.000018366 0.000127677 0.000161299 7 29 0.000046440 -0.000127988 0.000070184 8 6 0.000028801 -0.000049812 0.000032647 9 8 0.000065300 -0.000089440 -0.000107249 ------------------------------------------------------------------- Cartesian Forces: Max 0.000253985 RMS 0.000115118 Force constants in Cartesian coordinates: 1 2 3 4 5 1 0.327287D-01 2 0.121165D-01 0.330844D-01 3 0.403505D-02 -0.173878D-01 0.318060D-01 4 -0.467002D-02 0.722002D-02 -0.131855D-01 0.432234D-01 5 0.403994D-02 -0.262575D-02 0.840131D-02 0.106696D-01 0.243452D-01 6 -0.992687D-02 0.107851D-01 -0.176406D-01 0.113757D-01 -0.917838D-02 7 -0.851460D-03 -0.987929D-03 0.176763D-02 -0.850088D-02 -0.109966D-01 8 0.105638D-02 -0.190396D-02 0.186852D-02 -0.136520D-01 -0.133385D-01 9 -0.104968D-02 -0.908299D-04 -0.216080D-02 0.857205D-02 0.957726D-02 10 -0.159024D-02 0.323799D-03 -0.692480D-03 -0.252396D-02 -0.181121D-02 11 -0.199442D-02 -0.208490D-02 -0.401435D-03 0.318828D-03 -0.145898D-02 12 0.210347D-02 0.116499D-02 -0.134275D-02 -0.148841D-02 -0.126893D-02 13 -0.218432D-01 -0.146151D-01 -0.115788D-02 -0.237430D-02 0.120798D-02 14 -0.113711D-01 -0.482175D-02 -0.294725D-03 -0.107811D-02 -0.899640D-03 15 -0.461050D-02 -0.251607D-02 0.198143D-02 0.397505D-03 0.645135D-03 16 -0.467958D-02 -0.335591D-02 0.816561D-02 -0.180649D-01 0.191030D-02 17 -0.125671D-02 0.426626D-03 0.190422D-02 0.479350D-02 0.543730D-03 18 0.826616D-02 0.489789D-02 -0.123669D-01 0.296608D-02 -0.384722D-03 19 0.126044D-02 -0.847980D-03 0.156494D-03 -0.505433D-02 -0.585060D-02 20 -0.236529D-02 -0.215790D-01 0.551503D-02 -0.820510D-02 -0.655948D-02 21 0.481295D-03 0.329164D-02 0.536223D-03 -0.813693D-02 -0.788712D-02 22 -0.617413D-03 0.824382D-04 0.178102D-02 -0.369872D-02 0.721164D-03 23 -0.134537D-03 -0.121834D-02 0.136796D-03 0.380805D-03 0.447441D-03 24 0.775649D-03 0.148358D-03 -0.896750D-03 -0.103434D-02 0.402422D-03 25 0.262763D-03 0.642060D-04 -0.869994D-03 0.166366D-02 0.109421D-03 26 -0.907425D-04 0.722665D-03 0.258087D-03 -0.447553D-03 -0.454017D-03 27 -0.745732D-04 -0.293299D-03 0.841809D-04 0.533792D-03 -0.306963D-03 6 7 8 9 10 6 0.286565D-01 7 0.516930D-02 0.312388D-01 8 0.707631D-02 0.531304D-02 0.294423D-01 9 -0.258328D-02 0.935549D-02 -0.170936D-01 0.349060D-01 10 0.137182D-02 -0.189945D-01 0.431996D-05 -0.159480D-01 0.399972D-01 11 0.525596D-03 -0.267188D-02 0.164486D-02 -0.188363D-02 0.151487D-01 12 -0.882343D-03 -0.122423D-01 0.469856D-05 -0.745000D-02 0.496279D-02 13 -0.221559D-02 -0.121711D-02 -0.512289D-03 0.783869D-03 0.193920D-02 14 -0.126636D-02 0.155198D-02 -0.128328D-02 0.120938D-02 -0.318371D-02 15 -0.172627D-02 -0.221719D-02 -0.406595D-03 -0.241424D-02 0.332493D-02 16 0.164471D-03 -0.245264D-02 0.728628D-02 -0.359533D-02 -0.175473D-02 17 0.240154D-03 0.681159D-02 -0.138277D-01 0.715027D-02 -0.820608D-02 18 0.782538D-03 -0.155630D-02 0.336322D-02 -0.707652D-03 -0.252732D-02 19 -0.628530D-02 0.105759D-02 -0.281921D-03 0.194364D-02 -0.167644D-01 20 -0.806517D-02 0.246570D-04 0.925726D-03 0.965629D-03 -0.199358D-02 21 -0.681406D-02 0.555005D-03 0.361066D-02 -0.197049D-01 0.938949D-02 22 -0.102358D-03 -0.288937D-03 0.100450D-02 -0.108093D-02 -0.375866D-03 23 0.873979D-04 0.108500D-02 -0.232113D-02 0.198288D-02 -0.135829D-02 24 0.371226D-03 -0.152083D-02 0.282602D-02 0.169334D-03 0.828355D-04 25 0.448821D-03 0.913763D-05 -0.218300D-03 0.101890D-02 0.672816D-04 26 -0.204673D-03 -0.129848D-03 0.661698D-03 -0.181740D-02 0.107610D-02 27 -0.163791D-03 0.689179D-03 -0.124929D-02 -0.545228D-04 0.359422D-04 11 12 13 14 15 11 0.295983D-01 12 -0.120760D-01 0.275742D-01 13 0.461310D-04 -0.147929D-03 0.393735D-01 14 -0.123188D-01 0.146956D-01 0.511844D-02 0.250438D-01 15 0.166419D-01 -0.147294D-01 0.143788D-01 -0.134417D-01 0.341704D-01 16 -0.518825D-02 -0.126487D-02 -0.819592D-03 -0.107703D-02 -0.394896D-02 17 -0.144429D-01 -0.295860D-02 -0.258020D-02 -0.100179D-03 -0.503722D-02 18 -0.497589D-02 -0.273450D-03 -0.666507D-02 -0.311776D-02 -0.155663D-01 19 -0.447986D-02 0.832477D-02 -0.147487D-01 0.988964D-02 -0.668584D-02 20 0.711681D-03 0.102691D-02 0.109388D-01 -0.533533D-02 0.454548D-02 21 0.213241D-02 -0.302696D-02 -0.485977D-02 0.278743D-02 -0.670146D-03 22 -0.173157D-02 -0.165601D-03 -0.776990D-03 0.588637D-03 -0.809703D-03 23 -0.291070D-02 -0.612690D-03 0.786620D-03 -0.636389D-03 -0.116604D-02 24 0.375713D-03 0.315538D-03 -0.443052D-03 -0.394917D-03 -0.120899D-02 25 0.552354D-03 -0.819212D-04 0.467148D-03 -0.438753D-03 0.170958D-03 26 0.126143D-02 0.240496D-04 -0.390385D-03 0.351600D-03 0.735136D-03 27 -0.338631D-03 -0.184883D-03 0.326627D-03 -0.176927D-03 0.163441D-03 16 17 18 19 20 16 0.509453D-01 17 -0.302845D-01 0.810716D-01 18 -0.157913D-01 0.248561D-01 0.447557D-01 19 -0.183102D-02 0.184514D-02 0.106103D-02 0.354471D-01 20 0.183918D-02 -0.375396D-02 -0.170371D-02 -0.114669D-02 0.357567D-01 21 0.176711D-02 -0.277820D-02 -0.168484D-02 -0.829163D-04 0.160089D-03 22 -0.199015D-01 0.227796D-01 0.152506D-01 0.382352D-02 -0.133854D-02 23 0.230542D-01 -0.424925D-01 -0.247051D-01 -0.144464D-02 0.545712D-02 24 0.981826D-02 -0.157689D-01 -0.151492D-01 0.279493D-02 -0.431400D-02 25 -0.144141D-02 0.609759D-02 -0.100384D-02 -0.319020D-02 0.224654D-02 26 0.581564D-02 -0.742480D-02 0.176999D-02 0.231692D-02 -0.562346D-02 27 0.468501D-02 -0.760785D-02 0.210093D-03 -0.122680D-02 0.186975D-02 21 22 23 24 25 21 0.330457D-01 22 0.737410D-03 0.283348D+00 23 -0.910290D-03 -0.441908D+00 0.734500D+00 24 -0.305762D-02 -0.798276D-01 0.129930D+00 0.452352D-01 25 0.149306D-03 -0.261512D+00 0.419539D+00 0.693542D-01 0.263673D+00 26 -0.406610D-03 0.419802D+00 -0.690825D+00 -0.113205D+00 -0.427952D+00 27 0.137663D-02 0.642172D-01 -0.104743D+00 -0.257788D-01 -0.691864D-01 26 27 26 0.701330D+00 27 0.112847D+00 0.243476D-01 Leave Link 716 at Sun Apr 13 00:07:17 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 D2Numr ... symmetry will not be used. Leave Link 106 at Sun Apr 13 00:07:17 2008, MaxMem= 1258291200 cpu: 0.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0019 0.0000 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1707.3273877824 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sun Apr 13 00:07:17 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 551 NPtTot= 95194 NUsed= 99088 NTot= 99120 NSgBfM= 186 186 186 186. Leave Link 302 at Sun Apr 13 00:07:19 2008, MaxMem= 1258291200 cpu: 7.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 1707.2063720496 hartrees. Leave Link 303 at Sun Apr 13 00:07:20 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. of initial guess= 0.7536 Leave Link 401 at Sun Apr 13 00:07:20 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 99087 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306793046. IEnd= 239252 IEndB= 239252 NGot=1258291200 MDV= 955639085 LenX= 955639085 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1486.54105804633 DIIS: error= 1.40D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1486.54105804633 IErMin= 1 ErrMin= 1.40D-03 ErrMax= 1.40D-03 EMaxC= 1.00D-01 BMatC= 3.64D-04 BMatP= 3.64D-04 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.40D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 GapD= 0.060 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.47D-04 MaxDP=8.41D-03 OVMax= 4.86D-02 Cycle 2 Pass 1 IDiag 1: E= -1486.54110091877 Delta-E= -0.000042872445 Rises=F Damp=T DIIS: error= 6.57D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1486.54110091877 IErMin= 2 ErrMin= 6.57D-04 ErrMax= 6.57D-04 EMaxC= 1.00D-01 BMatC= 3.58D-04 BMatP= 3.64D-04 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.57D-03 Coeff-Com: 0.497D+00 0.503D+00 Coeff-En: 0.459D+00 0.541D+00 Coeff: 0.497D+00 0.503D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.16D-04 MaxDP=3.39D-03 DE=-4.29D-05 OVMax= 2.06D-02 Cycle 3 Pass 1 IDiag 1: E= -1486.54146234746 Delta-E= -0.000361428692 Rises=F Damp=F DIIS: error= 4.68D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1486.54146234746 IErMin= 3 ErrMin= 4.68D-04 ErrMax= 4.68D-04 EMaxC= 1.00D-01 BMatC= 2.09D-04 BMatP= 3.58D-04 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.68D-03 Coeff-Com: 0.324D+00 0.292D+00 0.384D+00 Coeff-En: 0.523D-02 0.000D+00 0.995D+00 Coeff: 0.322D+00 0.290D+00 0.387D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=6.31D-05 MaxDP=9.38D-04 DE=-3.61D-04 OVMax= 3.98D-03 Cycle 4 Pass 1 IDiag 1: E= -1486.54153154298 Delta-E= -0.000069195514 Rises=F Damp=F DIIS: error= 1.05D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1486.54153154298 IErMin= 4 ErrMin= 1.05D-04 ErrMax= 1.05D-04 EMaxC= 1.00D-01 BMatC= 7.85D-06 BMatP= 2.09D-04 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.05D-03 Coeff-Com: 0.948D-01-0.110D-01 0.104D+00 0.812D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.947D-01-0.110D-01 0.104D+00 0.812D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=3.12D-05 MaxDP=5.10D-04 DE=-6.92D-05 OVMax= 2.12D-03 Cycle 5 Pass 1 IDiag 1: E= -1486.54153413110 Delta-E= -0.000002588127 Rises=F Damp=F DIIS: error= 7.77D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1486.54153413110 IErMin= 5 ErrMin= 7.77D-05 ErrMax= 7.77D-05 EMaxC= 1.00D-01 BMatC= 7.69D-06 BMatP= 7.85D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.508D-01-0.286D-01 0.392D-01 0.600D+00 0.339D+00 Coeff: 0.508D-01-0.286D-01 0.392D-01 0.600D+00 0.339D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.19D-05 MaxDP=3.85D-04 DE=-2.59D-06 OVMax= 5.06D-04 Cycle 6 Pass 1 IDiag 1: E= -1486.54153561225 Delta-E= -0.000001481144 Rises=F Damp=F DIIS: error= 3.97D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1486.54153561225 IErMin= 6 ErrMin= 3.97D-05 ErrMax= 3.97D-05 EMaxC= 1.00D-01 BMatC= 1.04D-06 BMatP= 7.69D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.627D-02-0.257D-01-0.194D-01 0.194D+00 0.255D+00 0.590D+00 Coeff: 0.627D-02-0.257D-01-0.194D-01 0.194D+00 0.255D+00 0.590D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=6.94D-06 MaxDP=1.28D-04 DE=-1.48D-06 OVMax= 6.83D-04 Cycle 7 Pass 1 IDiag 1: E= -1486.54153590889 Delta-E= -0.000000296640 Rises=F Damp=F DIIS: error= 1.99D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1486.54153590889 IErMin= 7 ErrMin= 1.99D-05 ErrMax= 1.99D-05 EMaxC= 1.00D-01 BMatC= 4.39D-07 BMatP= 1.04D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.369D-03-0.128D-01-0.168D-01 0.317D-01 0.988D-01 0.464D+00 Coeff-Com: 0.436D+00 Coeff: -0.369D-03-0.128D-01-0.168D-01 0.317D-01 0.988D-01 0.464D+00 Coeff: 0.436D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=4.52D-06 MaxDP=1.30D-04 DE=-2.97D-07 OVMax= 6.09D-04 Cycle 8 Pass 1 IDiag 1: E= -1486.54153608291 Delta-E= -0.000000174026 Rises=F Damp=F DIIS: error= 8.02D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1486.54153608291 IErMin= 8 ErrMin= 8.02D-06 ErrMax= 8.02D-06 EMaxC= 1.00D-01 BMatC= 8.04D-08 BMatP= 4.39D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.605D-03-0.449D-02-0.449D-02-0.234D-01-0.228D-01 0.141D+00 Coeff-Com: 0.307D+00 0.607D+00 Coeff: -0.605D-03-0.449D-02-0.449D-02-0.234D-01-0.228D-01 0.141D+00 Coeff: 0.307D+00 0.607D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.99D-06 MaxDP=1.05D-04 DE=-1.74D-07 OVMax= 5.02D-04 Cycle 9 Pass 1 IDiag 1: E= -1486.54153613036 Delta-E= -0.000000047448 Rises=F Damp=F DIIS: error= 7.16D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1486.54153613036 IErMin= 9 ErrMin= 7.16D-06 ErrMax= 7.16D-06 EMaxC= 1.00D-01 BMatC= 3.16D-08 BMatP= 8.04D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.622D-03 0.111D-02 0.701D-02-0.304D-01-0.832D-01-0.163D+00 Coeff-Com: 0.529D-01 0.475D+00 0.740D+00 Coeff: 0.622D-03 0.111D-02 0.701D-02-0.304D-01-0.832D-01-0.163D+00 Coeff: 0.529D-01 0.475D+00 0.740D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.84D-06 MaxDP=4.90D-05 DE=-4.74D-08 OVMax= 4.31D-04 Cycle 10 Pass 1 IDiag 1: E= -1486.54153616189 Delta-E= -0.000000031532 Rises=F Damp=F DIIS: error= 2.32D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1486.54153616189 IErMin=10 ErrMin= 2.32D-06 ErrMax= 2.32D-06 EMaxC= 1.00D-01 BMatC= 8.74D-09 BMatP= 3.16D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.867D-03 0.115D-02 0.610D-02-0.163D-01-0.550D-01-0.143D+00 Coeff-Com: 0.160D-01 0.210D+00 0.483D+00 0.497D+00 Coeff: 0.867D-03 0.115D-02 0.610D-02-0.163D-01-0.550D-01-0.143D+00 Coeff: 0.160D-01 0.210D+00 0.483D+00 0.497D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.06D-06 MaxDP=2.53D-05 DE=-3.15D-08 OVMax= 1.52D-04 Cycle 11 Pass 1 IDiag 1: E= -1486.54153616646 Delta-E= -0.000000004565 Rises=F Damp=F DIIS: error= 1.90D-06 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1486.54153616646 IErMin=11 ErrMin= 1.90D-06 ErrMax= 1.90D-06 EMaxC= 1.00D-01 BMatC= 3.85D-09 BMatP= 8.74D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.550D-03 0.609D-03 0.319D-02-0.365D-02-0.217D-01-0.833D-01 Coeff-Com: -0.671D-02 0.177D-01 0.183D+00 0.452D+00 0.458D+00 Coeff: 0.550D-03 0.609D-03 0.319D-02-0.365D-02-0.217D-01-0.833D-01 Coeff: -0.671D-02 0.177D-01 0.183D+00 0.452D+00 0.458D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=5.63D-07 MaxDP=9.65D-06 DE=-4.56D-09 OVMax= 7.69D-05 Cycle 12 Pass 1 IDiag 1: E= -1486.54153616807 Delta-E= -0.000000001610 Rises=F Damp=F DIIS: error= 7.09D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1486.54153616807 IErMin=12 ErrMin= 7.09D-07 ErrMax= 7.09D-07 EMaxC= 1.00D-01 BMatC= 3.31D-10 BMatP= 3.85D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.672D-04-0.932D-04-0.453D-03 0.466D-02 0.732D-02 0.668D-02 Coeff-Com: -0.474D-02-0.595D-01-0.977D-01 0.135D+00 0.235D+00 0.773D+00 Coeff: 0.672D-04-0.932D-04-0.453D-03 0.466D-02 0.732D-02 0.668D-02 Coeff: -0.474D-02-0.595D-01-0.977D-01 0.135D+00 0.235D+00 0.773D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.67D-07 MaxDP=4.57D-06 DE=-1.61D-09 OVMax= 3.77D-05 Cycle 13 Pass 1 IDiag 1: E= -1486.54153616835 Delta-E= -0.000000000285 Rises=F Damp=F DIIS: error= 2.63D-07 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1486.54153616835 IErMin=13 ErrMin= 2.63D-07 ErrMax= 2.63D-07 EMaxC= 1.00D-01 BMatC= 4.95D-11 BMatP= 3.31D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.203D-04-0.124D-03-0.551D-03 0.272D-02 0.595D-02 0.116D-01 Coeff-Com: -0.298D-02-0.299D-01-0.655D-01 0.266D-01 0.900D-01 0.392D+00 Coeff-Com: 0.570D+00 Coeff: -0.203D-04-0.124D-03-0.551D-03 0.272D-02 0.595D-02 0.116D-01 Coeff: -0.298D-02-0.299D-01-0.655D-01 0.266D-01 0.900D-01 0.392D+00 Coeff: 0.570D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=5.82D-08 MaxDP=1.76D-06 DE=-2.85D-10 OVMax= 8.28D-06 Cycle 14 Pass 1 IDiag 1: E= -1486.54153616837 Delta-E= -0.000000000012 Rises=F Damp=F DIIS: error= 2.74D-07 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1486.54153616837 IErMin=13 ErrMin= 2.63D-07 ErrMax= 2.74D-07 EMaxC= 1.00D-01 BMatC= 3.20D-11 BMatP= 4.95D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.528D-04-0.512D-04-0.230D-03-0.108D-03 0.155D-02 0.645D-02 Coeff-Com: -0.130D-02 0.338D-02-0.496D-02-0.442D-01-0.296D-01-0.625D-01 Coeff-Com: 0.510D+00 0.622D+00 Coeff: -0.528D-04-0.512D-04-0.230D-03-0.108D-03 0.155D-02 0.645D-02 Coeff: -0.130D-02 0.338D-02-0.496D-02-0.442D-01-0.296D-01-0.625D-01 Coeff: 0.510D+00 0.622D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=5.00D-08 MaxDP=1.18D-06 DE=-1.23D-11 OVMax= 7.93D-06 Cycle 15 Pass 1 IDiag 1: E= -1486.54153616838 Delta-E= -0.000000000017 Rises=F Damp=F DIIS: error= 3.92D-08 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1486.54153616838 IErMin=15 ErrMin= 3.92D-08 ErrMax= 3.92D-08 EMaxC= 1.00D-01 BMatC= 1.15D-12 BMatP= 3.20D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.114D-04-0.627D-05 0.175D-05-0.263D-03-0.279D-03 0.234D-03 Coeff-Com: 0.611D-03 0.327D-02 0.561D-02-0.123D-01-0.164D-01-0.636D-01 Coeff-Com: 0.363D-01 0.157D+00 0.890D+00 Coeff: -0.114D-04-0.627D-05 0.175D-05-0.263D-03-0.279D-03 0.234D-03 Coeff: 0.611D-03 0.327D-02 0.561D-02-0.123D-01-0.164D-01-0.636D-01 Coeff: 0.363D-01 0.157D+00 0.890D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.10D-08 MaxDP=6.64D-07 DE=-1.68D-11 OVMax= 3.03D-06 Cycle 16 Pass 1 IDiag 1: E= -1486.54153616838 Delta-E= -0.000000000001 Rises=F Damp=F DIIS: error= 2.56D-08 at cycle 16 NSaved= 16. NSaved=16 IEnMin=16 EnMin= -1486.54153616838 IErMin=16 ErrMin= 2.56D-08 ErrMax= 2.56D-08 EMaxC= 1.00D-01 BMatC= 8.11D-13 BMatP= 1.15D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.204D-05 0.278D-05 0.388D-04-0.166D-03-0.400D-03-0.860D-03 Coeff-Com: 0.675D-03 0.171D-02 0.461D-02-0.135D-02-0.766D-02-0.335D-01 Coeff-Com: -0.440D-01 0.194D-01 0.584D+00 0.478D+00 Coeff: 0.204D-05 0.278D-05 0.388D-04-0.166D-03-0.400D-03-0.860D-03 Coeff: 0.675D-03 0.171D-02 0.461D-02-0.135D-02-0.766D-02-0.335D-01 Coeff: -0.440D-01 0.194D-01 0.584D+00 0.478D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=8.29D-09 MaxDP=1.59D-07 DE=-9.09D-13 OVMax= 7.66D-07 SCF Done: E(UB+HF-LYP) = -1486.54153617 A.U. after 16 cycles Convg = 0.8288D-08 -V/T = 2.4794 S**2 = 0.7538 KE= 1.004852638347D+03 PE=-7.043553999299D+03 EE= 2.844953452733D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7538, after 0.7500 Leave Link 502 at Sun Apr 13 00:08:10 2008, MaxMem= 1258291200 cpu: 173.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 172 NBasis= 172 NAE= 74 NBE= 73 NFC= 0 NFV= 0 NROrb= 172 NOA= 74 NOB= 73 NVA= 98 NVB= 99 **** Warning!!: The largest alpha MO coefficient is 0.12902714D+02 **** Warning!!: The smallest alpha delta epsilon is 0.62054387D-01 **** Warning!!: The largest beta MO coefficient is 0.12900156D+02 Leave Link 801 at Sun Apr 13 00:08:10 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 9. Will process 10 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Sun Apr 13 00:08:16 2008, MaxMem= 1258291200 cpu: 18.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 9. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sun Apr 13 00:08:16 2008, MaxMem= 1258291200 cpu: 0.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 9. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291126. G2DrvN: will do 10 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Sun Apr 13 00:09:28 2008, MaxMem= 1258291200 cpu: 284.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: UHF wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291126 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 303287223. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. CalDSu exits because no D1Ps are significant. There are 3 degrees of freedom in the 1st order CPHF. 3 vectors were produced by pass 0. AX will form 3 AO Fock derivatives at one time. 3 vectors were produced by pass 1. 3 vectors were produced by pass 2. 3 vectors were produced by pass 3. 3 vectors were produced by pass 4. 3 vectors were produced by pass 5. 3 vectors were produced by pass 6. 3 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. 3 vectors were produced by pass 11. 3 vectors were produced by pass 12. 3 vectors were produced by pass 13. 3 vectors were produced by pass 14. 3 vectors were produced by pass 15. 3 vectors were produced by pass 16. 3 vectors were produced by pass 17. 1 vectors were produced by pass 18. 1 vectors were produced by pass 19. Inv2: IOpt= 1 Iter= 1 AM= 9.99D-16 Conv= 1.00D-12. Inverted reduced A of dimension 56 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.267480D+03 2 -0.835446D+01 0.278158D+03 3 0.338238D+00 0.690171D+00 0.255385D+03 Isotropic polarizability for W= 0.000000 267.01 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sun Apr 13 00:10:53 2008, MaxMem= 1258291200 cpu: 303.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26342 -10.34551 -4.34398 -4.29706 -4.29527 Alpha occ. eigenvalues -- -4.29487 -4.29477 -4.29398 -4.29376 -2.85490 Alpha occ. eigenvalues -- -2.84825 -2.84759 -2.80505 -2.80504 -2.80439 Alpha occ. eigenvalues -- -2.80362 -2.80358 -2.80305 -2.80295 -2.80241 Alpha occ. eigenvalues -- -2.80227 -2.80213 -2.80140 -2.80127 -2.80113 Alpha occ. eigenvalues -- -2.80090 -2.80070 -2.80042 -2.79987 -2.79965 Alpha occ. eigenvalues -- -1.18016 -0.58289 -0.48314 -0.47682 -0.46388 Alpha occ. eigenvalues -- -0.36014 -0.33787 -0.33751 -0.32692 -0.32682 Alpha occ. eigenvalues -- -0.32365 -0.30753 -0.30730 -0.30680 -0.30661 Alpha occ. eigenvalues -- -0.30645 -0.30055 -0.29110 -0.29092 -0.29058 Alpha occ. eigenvalues -- -0.29025 -0.27880 -0.27828 -0.27819 -0.27785 Alpha occ. eigenvalues -- -0.27227 -0.27179 -0.27056 -0.26723 -0.26635 Alpha occ. eigenvalues -- -0.26601 -0.26587 -0.26441 -0.26059 -0.26011 Alpha occ. eigenvalues -- -0.25855 -0.25836 -0.25832 -0.25215 -0.25198 Alpha occ. eigenvalues -- -0.25118 -0.20602 -0.20594 -0.14591 Alpha virt. eigenvalues -- -0.08386 -0.08081 -0.07952 -0.07909 -0.07272 Alpha virt. eigenvalues -- -0.02558 -0.02169 -0.00438 -0.00296 0.00442 Alpha virt. eigenvalues -- 0.01090 0.01273 0.02239 0.03443 0.04059 Alpha virt. eigenvalues -- 0.04239 0.04378 0.04555 0.04952 0.05180 Alpha virt. eigenvalues -- 0.05273 0.06651 0.06842 0.07335 0.07454 Alpha virt. eigenvalues -- 0.07860 0.07935 0.08888 0.09385 0.09535 Alpha virt. eigenvalues -- 0.09835 0.09909 0.11448 0.14434 0.14749 Alpha virt. eigenvalues -- 0.17338 0.18596 0.18979 0.21211 0.24446 Alpha virt. eigenvalues -- 0.24736 0.24961 0.25678 0.27600 0.28758 Alpha virt. eigenvalues -- 0.30845 0.31728 0.33674 0.39999 0.41276 Alpha virt. eigenvalues -- 0.53956 0.63794 0.63818 0.65186 0.67335 Alpha virt. eigenvalues -- 0.67746 0.68051 0.68511 0.68725 0.71611 Alpha virt. eigenvalues -- 0.72955 0.74537 0.79160 0.79984 0.85141 Alpha virt. eigenvalues -- 0.85811 0.86011 0.86463 0.86865 0.87899 Alpha virt. eigenvalues -- 0.88012 0.97711 0.97788 0.98608 1.04129 Alpha virt. eigenvalues -- 1.04235 1.06261 1.09757 1.15669 1.16266 Alpha virt. eigenvalues -- 1.22066 1.24897 1.24960 1.27609 1.27959 Alpha virt. eigenvalues -- 1.32642 1.32798 1.34021 1.34445 1.35178 Alpha virt. eigenvalues -- 1.63982 1.79919 1.80602 1.82178 2.17798 Alpha virt. eigenvalues -- 2.24294 2.56027 9.39878 Beta occ. eigenvalues -- -19.26250 -10.34361 -4.34184 -4.29624 -4.29466 Beta occ. eigenvalues -- -4.29420 -4.29410 -4.29325 -4.29304 -2.85268 Beta occ. eigenvalues -- -2.84641 -2.84535 -2.80423 -2.80421 -2.80362 Beta occ. eigenvalues -- -2.80304 -2.80286 -2.80253 -2.80239 -2.80196 Beta occ. eigenvalues -- -2.80176 -2.80143 -2.80095 -2.80085 -2.80036 Beta occ. eigenvalues -- -2.80035 -2.79988 -2.79966 -2.79870 -2.79849 Beta occ. eigenvalues -- -1.17801 -0.57944 -0.47891 -0.47563 -0.45671 Beta occ. eigenvalues -- -0.35480 -0.33677 -0.33604 -0.32510 -0.32498 Beta occ. eigenvalues -- -0.31897 -0.30619 -0.30599 -0.30559 -0.30552 Beta occ. eigenvalues -- -0.30460 -0.29874 -0.29046 -0.29028 -0.28973 Beta occ. eigenvalues -- -0.28938 -0.27748 -0.27704 -0.27695 -0.27663 Beta occ. eigenvalues -- -0.27103 -0.27094 -0.26717 -0.26663 -0.26625 Beta occ. eigenvalues -- -0.26503 -0.26459 -0.26048 -0.25871 -0.25837 Beta occ. eigenvalues -- -0.25786 -0.25672 -0.25671 -0.25165 -0.25072 Beta occ. eigenvalues -- -0.24985 -0.20303 -0.20263 Beta virt. eigenvalues -- -0.09881 -0.07902 -0.07840 -0.07701 -0.07625 Beta virt. eigenvalues -- -0.06918 -0.01710 -0.01510 -0.00286 -0.00184 Beta virt. eigenvalues -- 0.00934 0.01115 0.01304 0.02627 0.03562 Beta virt. eigenvalues -- 0.04112 0.04278 0.04625 0.04679 0.05068 Beta virt. eigenvalues -- 0.05394 0.05456 0.06845 0.07019 0.07354 Beta virt. eigenvalues -- 0.07477 0.07881 0.07947 0.09396 0.09428 Beta virt. eigenvalues -- 0.09571 0.09937 0.10074 0.11425 0.14757 Beta virt. eigenvalues -- 0.15043 0.17645 0.18809 0.19281 0.21488 Beta virt. eigenvalues -- 0.24694 0.24991 0.25376 0.26190 0.27908 Beta virt. eigenvalues -- 0.28775 0.31265 0.32015 0.34071 0.40318 Beta virt. eigenvalues -- 0.41378 0.54235 0.64078 0.64120 0.65539 Beta virt. eigenvalues -- 0.67493 0.67921 0.68257 0.68634 0.68844 Beta virt. eigenvalues -- 0.71752 0.73103 0.74774 0.79540 0.80300 Beta virt. eigenvalues -- 0.85460 0.86062 0.86252 0.86831 0.87150 Beta virt. eigenvalues -- 0.88024 0.88164 0.97935 0.98010 0.98872 Beta virt. eigenvalues -- 1.04391 1.04496 1.06405 1.10174 1.15876 Beta virt. eigenvalues -- 1.16421 1.22697 1.25027 1.25087 1.28043 Beta virt. eigenvalues -- 1.28386 1.33011 1.33234 1.34251 1.34454 Beta virt. eigenvalues -- 1.35358 1.64110 1.80234 1.80649 1.82189 Beta virt. eigenvalues -- 2.17925 2.24432 2.56358 9.40037 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.032007 -0.020144 0.067774 0.074837 -0.020590 -0.078609 2 Cu -0.020144 19.016828 -0.017433 0.071037 0.071863 -0.077633 3 Cu 0.067774 -0.017433 19.032456 -0.021419 0.069414 -0.080366 4 Cu 0.074837 0.071037 -0.021419 19.063011 -0.023916 -0.079574 5 Cu -0.020590 0.071863 0.069414 -0.023916 19.058091 -0.079005 6 Cu -0.078609 -0.077633 -0.080366 -0.079574 -0.079005 19.235022 7 Cu -0.035877 -0.044840 -0.049195 -0.036872 -0.031701 -0.103104 8 C 0.013840 0.008765 0.009757 0.008807 0.014821 0.152271 9 O -0.009513 -0.002360 0.001300 -0.003832 -0.010201 0.034755 7 8 9 1 Cu -0.035877 0.013840 -0.009513 2 Cu -0.044840 0.008765 -0.002360 3 Cu -0.049195 0.009757 0.001300 4 Cu -0.036872 0.008807 -0.003832 5 Cu -0.031701 0.014821 -0.010201 6 Cu -0.103104 0.152271 0.034755 7 Cu 19.234545 0.003332 -0.001868 8 C 0.003332 5.122695 0.547982 9 O -0.001868 0.547982 7.560340 Mulliken atomic charges: 1 1 Cu -0.023725 2 Cu -0.006084 3 Cu -0.012287 4 Cu -0.052080 5 Cu -0.048776 6 Cu 0.076244 7 Cu 0.065580 8 C 0.117730 9 O -0.116602 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.023725 2 Cu -0.006084 3 Cu -0.012287 4 Cu -0.052080 5 Cu -0.048776 6 Cu 0.076244 7 Cu 0.065580 8 C 0.117730 9 O -0.116602 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.030049 -0.003174 0.004860 0.006467 -0.002966 0.009127 2 Cu -0.003174 0.022034 -0.003692 0.005498 0.005831 0.010967 3 Cu 0.004860 -0.003692 0.019621 -0.003235 0.005111 0.009342 4 Cu 0.006467 0.005498 -0.003235 0.030612 -0.001646 0.012224 5 Cu -0.002966 0.005831 0.005111 -0.001646 0.035075 0.008791 6 Cu 0.009127 0.010967 0.009342 0.012224 0.008791 0.176270 7 Cu 0.029066 0.015789 0.009666 0.021965 0.033799 -0.065717 8 C -0.000811 -0.002532 -0.000868 -0.003658 -0.000417 -0.009774 9 O -0.000254 0.000063 -0.000221 0.000194 -0.000429 -0.000486 7 8 9 1 Cu 0.029066 -0.000811 -0.000254 2 Cu 0.015789 -0.002532 0.000063 3 Cu 0.009666 -0.000868 -0.000221 4 Cu 0.021965 -0.003658 0.000194 5 Cu 0.033799 -0.000417 -0.000429 6 Cu -0.065717 -0.009774 -0.000486 7 Cu 0.375112 -0.001100 0.000064 8 C -0.001100 0.142593 -0.027763 9 O 0.000064 -0.027763 0.048470 Mulliken atomic spin densities: 1 1 Cu 0.072364 2 Cu 0.050783 3 Cu 0.040584 4 Cu 0.068421 5 Cu 0.083149 6 Cu 0.150744 7 Cu 0.418645 8 C 0.095672 9 O 0.019638 Sum of Mulliken spin densities= 1.00000 APT atomic charges: 1 1 Cu 0.021139 2 Cu 0.026333 3 Cu 0.000428 4 Cu -0.013362 5 Cu -0.002900 6 Cu -0.097182 7 Cu -0.062769 8 C 1.212040 9 O -1.083727 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.021139 2 Cu 0.026333 3 Cu 0.000428 4 Cu -0.013362 5 Cu -0.002900 6 Cu -0.097182 7 Cu -0.062769 8 C 1.212040 9 O -1.083727 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 2868.3184 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -1.2746 Y= 0.0460 Z= -0.4605 Tot= 1.3560 Quadrupole moment (field-independent basis, Debye-Ang): XX= -99.9681 YY= -106.0308 ZZ= -102.4644 XY= 4.4239 XZ= 3.1182 YZ= -5.7695 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.8530 YY= -3.2097 ZZ= 0.3567 XY= 4.4239 XZ= 3.1182 YZ= -5.7695 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 52.1659 YYY= -98.1551 ZZZ= -68.3022 XYY= 14.6665 XXY= -32.7354 XXZ= -22.5028 XZZ= 21.9319 YZZ= -40.8543 YYZ= -24.4583 XYZ= 2.5960 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1110.8122 YYYY= -1420.3955 ZZZZ= -1052.9553 XXXY= 130.1381 XXXZ= 62.4158 YYYX= 151.4902 YYYZ= -119.9119 ZZZX= 56.2220 ZZZY= -98.9940 XXYY= -434.2210 XXZZ= -362.5866 YYZZ= -408.7146 XXYZ= -41.1767 YYXZ= 32.6822 ZZXY= 42.6852 N-N= 1.707206372050D+03 E-N=-7.043554009347D+03 KE= 1.004852638347D+03 Exact polarizability: 267.480 -8.354 278.158 0.338 0.690 255.385 Approx polarizability: 629.078 -6.508 641.179 17.942 -25.973 581.183 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00054 0.00019 0.00018 2 Cu(63) 0.00000 0.00038 0.00014 0.00013 3 Cu(63) 0.00000 0.00036 0.00013 0.00012 4 Cu(63) 0.00000 0.00047 0.00017 0.00016 5 Cu(63) 0.00000 0.00060 0.00022 0.00020 6 Cu(63) 0.00000 0.00054 0.00019 0.00018 7 Cu(63) 0.00001 0.01101 0.00393 0.00367 8 C(13) 0.09092 102.21276 36.47205 34.09451 9 O(17) 0.01452 -8.80422 -3.14156 -2.93677 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.042803 0.041401 0.001402 2 Atom 0.035431 -0.018161 -0.017270 3 Atom -0.038319 0.010260 0.028060 4 Atom 0.009417 0.019864 -0.029281 5 Atom -0.000414 -0.023804 0.024218 6 Atom -0.011139 -0.013130 0.024269 7 Atom 0.026294 -0.018071 -0.008223 8 Atom -0.029512 -0.004436 0.033948 9 Atom -0.070258 -0.028294 0.098553 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.001809 -0.059272 -0.004979 2 Atom -0.005090 0.009703 0.048245 3 Atom -0.036337 -0.003662 -0.007995 4 Atom 0.024150 -0.041224 0.028722 5 Atom -0.052868 0.033488 0.033074 6 Atom 0.003606 0.004641 -0.008709 7 Atom 0.045300 0.041600 -0.064312 8 Atom -0.023266 0.046286 -0.076660 9 Atom -0.039504 0.062281 -0.104257 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0840 -11.889 -4.242 -3.966 0.8211 0.0108 0.5707 1 Cu(63) Bbb 0.0368 5.215 1.861 1.740 -0.3871 0.7452 0.5429 Bcc 0.0471 6.674 2.382 2.226 0.4194 0.6667 -0.6161 Baa -0.0670 -9.490 -3.386 -3.166 0.1015 0.7043 -0.7026 2 Cu(63) Bbb 0.0291 4.116 1.469 1.373 -0.4030 0.6748 0.6182 Bcc 0.0380 5.374 1.918 1.793 0.9095 0.2204 0.3524 Baa -0.0583 -8.255 -2.946 -2.754 0.8767 0.4741 0.0811 3 Cu(63) Bbb 0.0238 3.372 1.203 1.125 -0.3723 0.5622 0.7385 Bcc 0.0345 4.883 1.742 1.629 -0.3045 0.6776 -0.6694 Baa -0.0708 -10.020 -3.575 -3.342 0.5109 -0.3804 0.7709 4 Cu(63) Bbb 0.0308 4.357 1.555 1.453 -0.4258 0.6670 0.6113 Bcc 0.0400 5.664 2.021 1.889 0.7468 0.6406 -0.1788 Baa -0.0861 -12.192 -4.350 -4.067 0.5891 0.7073 -0.3908 5 Cu(63) Bbb 0.0380 5.378 1.919 1.794 -0.4397 0.6863 0.5794 Bcc 0.0481 6.814 2.431 2.273 0.6780 -0.1695 0.7153 Baa -0.0181 -2.566 -0.916 -0.856 -0.5607 0.7969 0.2251 6 Cu(63) Bbb -0.0084 -1.196 -0.427 -0.399 0.8220 0.5685 0.0347 Bcc 0.0266 3.763 1.343 1.255 0.1003 -0.2045 0.9737 Baa -0.1062 -15.035 -5.365 -5.015 -0.4210 0.6659 0.6159 7 Cu(63) Bbb 0.0513 7.268 2.594 2.424 0.0623 -0.6562 0.7520 Bcc 0.0549 7.767 2.772 2.591 0.9049 0.3550 0.2348 Baa -0.0687 -9.217 -3.289 -3.074 -0.3961 0.6410 0.6574 8 C(13) Bbb -0.0434 -5.824 -2.078 -1.943 0.8534 0.5213 0.0059 Bcc 0.1121 15.041 5.367 5.017 0.3389 -0.5634 0.7535 Baa -0.0940 6.803 2.427 2.269 0.8483 0.5293 0.0122 9 O(17) Bbb -0.0849 6.145 2.193 2.050 -0.4471 0.7040 0.5518 Bcc 0.1789 -12.948 -4.620 -4.319 0.2835 -0.4736 0.8339 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sun Apr 13 00:10:55 2008, MaxMem= 1258291200 cpu: 2.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-5.01447656D-01 1.80827277D-02-1.81186392D-01 Polarizability= 2.67480260D+02-8.35446320D+00 2.78158343D+02 3.38237649D-01 6.90171323D-01 2.55384667D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000113853 -0.000215011 0.000313427 2 29 -0.000379304 0.000087430 -0.000427123 3 29 0.000101701 0.000076101 -0.000107097 4 29 -0.000139640 -0.000071037 -0.000123121 5 29 -0.000021933 0.000100725 -0.000056192 6 29 0.000245959 0.000019475 0.000326987 7 29 0.000270124 -0.000083493 0.000247613 8 6 -0.002030005 0.002514583 -0.000117863 9 8 0.001839245 -0.002428775 -0.000056630 ------------------------------------------------------------------- Cartesian Forces: Max 0.002514583 RMS 0.000873995 Leave Link 716 at Sun Apr 13 00:10:55 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=1 IStep= 1. Leave Link 106 at Sun Apr 13 00:10:55 2008, MaxMem= 1258291200 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of -0.0019 0.0000 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1707.3273877824 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sun Apr 13 00:10:55 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 551 NPtTot= 95194 NUsed= 99088 NTot= 99120 NSgBfM= 186 186 186 186. Leave Link 302 at Sun Apr 13 00:10:58 2008, MaxMem= 1258291200 cpu: 7.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 1707.4484035152 hartrees. Leave Link 303 at Sun Apr 13 00:10:59 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. of initial guess= 0.7536 Leave Link 401 at Sun Apr 13 00:10:59 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 99087 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306793046. IEnd= 239252 IEndB= 239252 NGot=1258291200 MDV= 955639085 LenX= 955639085 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1486.54107462609 DIIS: error= 1.40D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1486.54107462609 IErMin= 1 ErrMin= 1.40D-03 ErrMax= 1.40D-03 EMaxC= 1.00D-01 BMatC= 3.64D-04 BMatP= 3.64D-04 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.40D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.067 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 GapD= 0.067 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.43D-04 MaxDP=8.14D-03 OVMax= 4.70D-02 Cycle 2 Pass 1 IDiag 1: E= -1486.54112334407 Delta-E= -0.000048717988 Rises=F Damp=T DIIS: error= 6.67D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1486.54112334407 IErMin= 2 ErrMin= 6.67D-04 ErrMax= 6.67D-04 EMaxC= 1.00D-01 BMatC= 3.46D-04 BMatP= 3.64D-04 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.67D-03 Coeff-Com: 0.491D+00 0.509D+00 Coeff-En: 0.452D+00 0.548D+00 Coeff: 0.491D+00 0.509D+00 Gap= 0.066 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.19D-04 MaxDP=3.37D-03 DE=-4.87D-05 OVMax= 1.89D-02 Cycle 3 Pass 1 IDiag 1: E= -1486.54148154640 Delta-E= -0.000358202321 Rises=F Damp=F DIIS: error= 4.83D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1486.54148154640 IErMin= 3 ErrMin= 4.83D-04 ErrMax= 4.83D-04 EMaxC= 1.00D-01 BMatC= 2.12D-04 BMatP= 3.46D-04 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.83D-03 Coeff-Com: 0.322D+00 0.299D+00 0.379D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.320D+00 0.298D+00 0.382D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.33D-05 MaxDP=8.72D-04 DE=-3.58D-04 OVMax= 3.87D-03 Cycle 4 Pass 1 IDiag 1: E= -1486.54154977611 Delta-E= -0.000068229712 Rises=F Damp=F DIIS: error= 1.11D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1486.54154977611 IErMin= 4 ErrMin= 1.11D-04 ErrMax= 1.11D-04 EMaxC= 1.00D-01 BMatC= 7.11D-06 BMatP= 2.12D-04 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.11D-03 Coeff-Com: 0.893D-01-0.182D-01 0.953D-01 0.834D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.892D-01-0.182D-01 0.952D-01 0.834D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.04D-05 MaxDP=5.31D-04 DE=-6.82D-05 OVMax= 2.19D-03 Cycle 5 Pass 1 IDiag 1: E= -1486.54155307804 Delta-E= -0.000003301932 Rises=F Damp=F DIIS: error= 4.63D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1486.54155307804 IErMin= 5 ErrMin= 4.63D-05 ErrMax= 4.63D-05 EMaxC= 1.00D-01 BMatC= 3.42D-06 BMatP= 7.11D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.417D-01-0.290D-01 0.239D-01 0.533D+00 0.430D+00 Coeff: 0.417D-01-0.290D-01 0.239D-01 0.533D+00 0.430D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.05D-05 MaxDP=3.64D-04 DE=-3.30D-06 OVMax= 6.14D-04 Cycle 6 Pass 1 IDiag 1: E= -1486.54155387258 Delta-E= -0.000000794536 Rises=F Damp=F DIIS: error= 3.71D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1486.54155387258 IErMin= 6 ErrMin= 3.71D-05 ErrMax= 3.71D-05 EMaxC= 1.00D-01 BMatC= 1.12D-06 BMatP= 3.42D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.279D-02-0.232D-01-0.239D-01 0.150D+00 0.364D+00 0.531D+00 Coeff: 0.279D-02-0.232D-01-0.239D-01 0.150D+00 0.364D+00 0.531D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.47D-06 MaxDP=1.11D-04 DE=-7.95D-07 OVMax= 6.93D-04 Cycle 7 Pass 1 IDiag 1: E= -1486.54155416344 Delta-E= -0.000000290860 Rises=F Damp=F DIIS: error= 1.94D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1486.54155416344 IErMin= 7 ErrMin= 1.94D-05 ErrMax= 1.94D-05 EMaxC= 1.00D-01 BMatC= 3.54D-07 BMatP= 1.12D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.110D-02-0.115D-01-0.170D-01 0.208D-01 0.179D+00 0.418D+00 Coeff-Com: 0.412D+00 Coeff: -0.110D-02-0.115D-01-0.170D-01 0.208D-01 0.179D+00 0.418D+00 Coeff: 0.412D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.83D-06 MaxDP=1.09D-04 DE=-2.91D-07 OVMax= 5.06D-04 Cycle 8 Pass 1 IDiag 1: E= -1486.54155429334 Delta-E= -0.000000129908 Rises=F Damp=F DIIS: error= 9.44D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1486.54155429334 IErMin= 8 ErrMin= 9.44D-06 ErrMax= 9.44D-06 EMaxC= 1.00D-01 BMatC= 6.96D-08 BMatP= 3.54D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.544D-03-0.349D-02-0.310D-02-0.261D-01-0.105D-01 0.126D+00 Coeff-Com: 0.312D+00 0.606D+00 Coeff: -0.544D-03-0.349D-02-0.310D-02-0.261D-01-0.105D-01 0.126D+00 Coeff: 0.312D+00 0.606D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.61D-06 MaxDP=8.67D-05 DE=-1.30D-07 OVMax= 4.49D-04 Cycle 9 Pass 1 IDiag 1: E= -1486.54155433459 Delta-E= -0.000000041243 Rises=F Damp=F DIIS: error= 5.78D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1486.54155433459 IErMin= 9 ErrMin= 5.78D-06 ErrMax= 5.78D-06 EMaxC= 1.00D-01 BMatC= 2.52D-08 BMatP= 6.96D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.646D-03 0.163D-02 0.728D-02-0.299D-01-0.119D+00-0.120D+00 Coeff-Com: 0.862D-01 0.469D+00 0.704D+00 Coeff: 0.646D-03 0.163D-02 0.728D-02-0.299D-01-0.119D+00-0.120D+00 Coeff: 0.862D-01 0.469D+00 0.704D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.37D-06 MaxDP=4.62D-05 DE=-4.12D-08 OVMax= 3.78D-04 Cycle 10 Pass 1 IDiag 1: E= -1486.54155435914 Delta-E= -0.000000024555 Rises=F Damp=F DIIS: error= 2.71D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1486.54155435914 IErMin=10 ErrMin= 2.71D-06 ErrMax= 2.71D-06 EMaxC= 1.00D-01 BMatC= 3.80D-09 BMatP= 2.52D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.628D-03 0.105D-02 0.477D-02-0.105D-01-0.666D-01-0.952D-01 Coeff-Com: 0.206D-01 0.132D+00 0.357D+00 0.656D+00 Coeff: 0.628D-03 0.105D-02 0.477D-02-0.105D-01-0.666D-01-0.952D-01 Coeff: 0.206D-01 0.132D+00 0.357D+00 0.656D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.85D-07 MaxDP=2.13D-05 DE=-2.46D-08 OVMax= 1.36D-04 Cycle 11 Pass 1 IDiag 1: E= -1486.54155436183 Delta-E= -0.000000002688 Rises=F Damp=F DIIS: error= 1.21D-06 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1486.54155436183 IErMin=11 ErrMin= 1.21D-06 ErrMax= 1.21D-06 EMaxC= 1.00D-01 BMatC= 1.55D-09 BMatP= 3.80D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.383D-03 0.533D-03 0.223D-02-0.150D-02-0.278D-01-0.512D-01 Coeff-Com: -0.384D-02 0.283D-02 0.127D+00 0.494D+00 0.457D+00 Coeff: 0.383D-03 0.533D-03 0.223D-02-0.150D-02-0.278D-01-0.512D-01 Coeff: -0.384D-02 0.283D-02 0.127D+00 0.494D+00 0.457D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.46D-07 MaxDP=6.51D-06 DE=-2.69D-09 OVMax= 3.73D-05 Cycle 12 Pass 1 IDiag 1: E= -1486.54155436246 Delta-E= -0.000000000631 Rises=F Damp=F DIIS: error= 6.49D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1486.54155436246 IErMin=12 ErrMin= 6.49D-07 ErrMax= 6.49D-07 EMaxC= 1.00D-01 BMatC= 4.23D-10 BMatP= 1.55D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.705D-04-0.703D-04-0.366D-03 0.398D-02 0.751D-02 0.278D-02 Coeff-Com: -0.820D-02-0.562D-01-0.698D-01 0.160D+00 0.364D+00 0.596D+00 Coeff: 0.705D-04-0.703D-04-0.366D-03 0.398D-02 0.751D-02 0.278D-02 Coeff: -0.820D-02-0.562D-01-0.698D-01 0.160D+00 0.364D+00 0.596D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.74D-07 MaxDP=3.71D-06 DE=-6.31D-10 OVMax= 2.25D-05 Cycle 13 Pass 1 IDiag 1: E= -1486.54155436259 Delta-E= -0.000000000134 Rises=F Damp=F DIIS: error= 2.16D-07 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1486.54155436259 IErMin=13 ErrMin= 2.16D-07 ErrMax= 2.16D-07 EMaxC= 1.00D-01 BMatC= 5.87D-11 BMatP= 4.23D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.132D-04-0.108D-03-0.497D-03 0.255D-02 0.800D-02 0.739D-02 Coeff-Com: -0.618D-02-0.317D-01-0.546D-01 0.358D-01 0.171D+00 0.370D+00 Coeff-Com: 0.498D+00 Coeff: -0.132D-04-0.108D-03-0.497D-03 0.255D-02 0.800D-02 0.739D-02 Coeff: -0.618D-02-0.317D-01-0.546D-01 0.358D-01 0.171D+00 0.370D+00 Coeff: 0.498D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=5.96D-08 MaxDP=1.36D-06 DE=-1.34D-10 OVMax= 5.42D-06 Cycle 14 Pass 1 IDiag 1: E= -1486.54155436261 Delta-E= -0.000000000019 Rises=F Damp=F DIIS: error= 1.93D-07 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1486.54155436261 IErMin=14 ErrMin= 1.93D-07 ErrMax= 1.93D-07 EMaxC= 1.00D-01 BMatC= 2.45D-11 BMatP= 5.87D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.423D-04-0.468D-04-0.193D-03-0.266D-04 0.283D-02 0.416D-02 Coeff-Com: -0.147D-02 0.206D-02-0.796D-02-0.382D-01-0.353D-01-0.185D-01 Coeff-Com: 0.442D+00 0.650D+00 Coeff: -0.423D-04-0.468D-04-0.193D-03-0.266D-04 0.283D-02 0.416D-02 Coeff: -0.147D-02 0.206D-02-0.796D-02-0.382D-01-0.353D-01-0.185D-01 Coeff: 0.442D+00 0.650D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.15D-08 MaxDP=1.01D-06 DE=-1.91D-11 OVMax= 6.03D-06 Cycle 15 Pass 1 IDiag 1: E= -1486.54155436262 Delta-E= -0.000000000007 Rises=F Damp=F DIIS: error= 3.43D-08 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1486.54155436262 IErMin=15 ErrMin= 3.43D-08 ErrMax= 3.43D-08 EMaxC= 1.00D-01 BMatC= 8.14D-13 BMatP= 2.45D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.130D-04-0.696D-05-0.108D-04-0.250D-03-0.189D-04 0.625D-03 Coeff-Com: 0.638D-03 0.400D-02 0.294D-02-0.156D-01-0.292D-01-0.484D-01 Coeff-Com: 0.658D-01 0.205D+00 0.814D+00 Coeff: -0.130D-04-0.696D-05-0.108D-04-0.250D-03-0.189D-04 0.625D-03 Coeff: 0.638D-03 0.400D-02 0.294D-02-0.156D-01-0.292D-01-0.484D-01 Coeff: 0.658D-01 0.205D+00 0.814D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.62D-08 MaxDP=4.53D-07 DE=-6.82D-12 OVMax= 2.07D-06 Cycle 16 Pass 1 IDiag 1: E= -1486.54155436262 Delta-E= 0.000000000003 Rises=F Damp=F DIIS: error= 1.97D-08 at cycle 16 NSaved= 16. NSaved=16 IEnMin=15 EnMin= -1486.54155436262 IErMin=16 ErrMin= 1.97D-08 ErrMax= 1.97D-08 EMaxC= 1.00D-01 BMatC= 3.96D-13 BMatP= 8.14D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.329D-05 0.519D-05 0.358D-04-0.104D-03-0.551D-03-0.624D-03 Coeff-Com: 0.814D-03 0.882D-03 0.295D-02 0.603D-03-0.757D-02-0.180D-01 Coeff-Com: -0.549D-01-0.196D-01 0.399D+00 0.697D+00 Coeff: 0.329D-05 0.519D-05 0.358D-04-0.104D-03-0.551D-03-0.624D-03 Coeff: 0.814D-03 0.882D-03 0.295D-02 0.603D-03-0.757D-02-0.180D-01 Coeff: -0.549D-01-0.196D-01 0.399D+00 0.697D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.35D-09 MaxDP=1.64D-07 DE= 3.18D-12 OVMax= 8.42D-07 SCF Done: E(UB+HF-LYP) = -1486.54155436 A.U. after 16 cycles Convg = 0.6353D-08 -V/T = 2.4794 S**2 = 0.7534 KE= 1.004833740771D+03 PE=-7.043752536182D+03 EE= 2.844928837533D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7534, after 0.7500 Leave Link 502 at Sun Apr 13 00:11:49 2008, MaxMem= 1258291200 cpu: 173.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 172 NBasis= 172 NAE= 74 NBE= 73 NFC= 0 NFV= 0 NROrb= 172 NOA= 74 NOB= 73 NVA= 98 NVB= 99 **** Warning!!: The largest alpha MO coefficient is 0.12341256D+02 **** Warning!!: The smallest alpha delta epsilon is 0.64698773D-01 **** Warning!!: The largest beta MO coefficient is 0.12338357D+02 Leave Link 801 at Sun Apr 13 00:11:49 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 9. Will process 10 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Sun Apr 13 00:11:55 2008, MaxMem= 1258291200 cpu: 18.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 9. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sun Apr 13 00:11:56 2008, MaxMem= 1258291200 cpu: 1.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 9. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291126. G2DrvN: will do 10 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Sun Apr 13 00:13:10 2008, MaxMem= 1258291200 cpu: 287.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: UHF wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291126 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 303287223. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. CalDSu exits because no D1Ps are significant. There are 3 degrees of freedom in the 1st order CPHF. 3 vectors were produced by pass 0. AX will form 3 AO Fock derivatives at one time. 3 vectors were produced by pass 1. 3 vectors were produced by pass 2. 3 vectors were produced by pass 3. 3 vectors were produced by pass 4. 3 vectors were produced by pass 5. 3 vectors were produced by pass 6. 3 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. 3 vectors were produced by pass 11. 3 vectors were produced by pass 12. 3 vectors were produced by pass 13. 3 vectors were produced by pass 14. 3 vectors were produced by pass 15. 3 vectors were produced by pass 16. 3 vectors were produced by pass 17. 2 vectors were produced by pass 18. Inv2: IOpt= 1 Iter= 1 AM= 1.01D-15 Conv= 1.00D-12. Inverted reduced A of dimension 56 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.270202D+03 2 -0.868898D+01 0.276685D+03 3 0.369488D+00 -0.104412D+01 0.255628D+03 Isotropic polarizability for W= 0.000000 267.51 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sun Apr 13 00:14:34 2008, MaxMem= 1258291200 cpu: 303.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26443 -10.34638 -4.34538 -4.29934 -4.29727 Alpha occ. eigenvalues -- -4.29698 -4.29675 -4.29619 -4.29594 -2.85624 Alpha occ. eigenvalues -- -2.84968 -2.84908 -2.80727 -2.80723 -2.80650 Alpha occ. eigenvalues -- -2.80575 -2.80562 -2.80512 -2.80509 -2.80464 Alpha occ. eigenvalues -- -2.80436 -2.80424 -2.80344 -2.80327 -2.80321 Alpha occ. eigenvalues -- -2.80291 -2.80277 -2.80260 -2.80207 -2.80190 Alpha occ. eigenvalues -- -1.18010 -0.58170 -0.48237 -0.47605 -0.46382 Alpha occ. eigenvalues -- -0.36220 -0.33955 -0.33914 -0.32857 -0.32850 Alpha occ. eigenvalues -- -0.32526 -0.30963 -0.30932 -0.30887 -0.30873 Alpha occ. eigenvalues -- -0.30849 -0.30261 -0.29313 -0.29295 -0.29266 Alpha occ. eigenvalues -- -0.29238 -0.28084 -0.28030 -0.28021 -0.27999 Alpha occ. eigenvalues -- -0.27428 -0.27385 -0.27254 -0.26927 -0.26849 Alpha occ. eigenvalues -- -0.26811 -0.26796 -0.26663 -0.26270 -0.26226 Alpha occ. eigenvalues -- -0.26065 -0.26051 -0.26046 -0.25419 -0.25407 Alpha occ. eigenvalues -- -0.25334 -0.20811 -0.20801 -0.14867 Alpha virt. eigenvalues -- -0.08397 -0.08248 -0.08141 -0.08049 -0.07539 Alpha virt. eigenvalues -- -0.02723 -0.02335 -0.00681 -0.00670 0.00171 Alpha virt. eigenvalues -- 0.00842 0.01031 0.01817 0.03092 0.03887 Alpha virt. eigenvalues -- 0.04032 0.04187 0.04476 0.04615 0.05129 Alpha virt. eigenvalues -- 0.05283 0.06145 0.06252 0.07134 0.07235 Alpha virt. eigenvalues -- 0.07576 0.07764 0.08119 0.09170 0.09271 Alpha virt. eigenvalues -- 0.09343 0.09623 0.11182 0.14186 0.14501 Alpha virt. eigenvalues -- 0.17230 0.18578 0.18711 0.21232 0.24172 Alpha virt. eigenvalues -- 0.24522 0.24675 0.25521 0.27364 0.28522 Alpha virt. eigenvalues -- 0.30460 0.31493 0.33490 0.40157 0.41472 Alpha virt. eigenvalues -- 0.54199 0.63594 0.63610 0.65183 0.67169 Alpha virt. eigenvalues -- 0.67516 0.67996 0.68470 0.68873 0.71419 Alpha virt. eigenvalues -- 0.72870 0.74442 0.79063 0.79942 0.85127 Alpha virt. eigenvalues -- 0.85586 0.85822 0.86278 0.86651 0.87709 Alpha virt. eigenvalues -- 0.87815 0.97502 0.97573 0.98360 1.03912 Alpha virt. eigenvalues -- 1.04030 1.06048 1.09551 1.15466 1.16060 Alpha virt. eigenvalues -- 1.21865 1.24701 1.24738 1.27385 1.27761 Alpha virt. eigenvalues -- 1.32399 1.32543 1.33815 1.34225 1.34982 Alpha virt. eigenvalues -- 1.64026 1.79677 1.80334 1.81988 2.17546 Alpha virt. eigenvalues -- 2.24043 2.55624 9.39988 Beta occ. eigenvalues -- -19.26369 -10.34467 -4.34318 -4.29855 -4.29663 Beta occ. eigenvalues -- -4.29631 -4.29605 -4.29546 -4.29521 -2.85390 Beta occ. eigenvalues -- -2.84778 -2.84682 -2.80647 -2.80644 -2.80577 Beta occ. eigenvalues -- -2.80505 -2.80496 -2.80467 -2.80452 -2.80405 Beta occ. eigenvalues -- -2.80390 -2.80345 -2.80308 -2.80297 -2.80253 Beta occ. eigenvalues -- -2.80226 -2.80186 -2.80169 -2.80091 -2.80074 Beta occ. eigenvalues -- -1.17833 -0.57869 -0.47895 -0.47505 -0.45735 Beta occ. eigenvalues -- -0.35684 -0.33840 -0.33770 -0.32673 -0.32664 Beta occ. eigenvalues -- -0.32057 -0.30822 -0.30803 -0.30773 -0.30755 Beta occ. eigenvalues -- -0.30672 -0.30078 -0.29250 -0.29233 -0.29177 Beta occ. eigenvalues -- -0.29149 -0.27954 -0.27900 -0.27897 -0.27871 Beta occ. eigenvalues -- -0.27305 -0.27297 -0.26919 -0.26858 -0.26839 Beta occ. eigenvalues -- -0.26710 -0.26662 -0.26264 -0.26076 -0.26046 Beta occ. eigenvalues -- -0.26002 -0.25889 -0.25886 -0.25373 -0.25277 Beta occ. eigenvalues -- -0.25198 -0.20511 -0.20477 Beta virt. eigenvalues -- -0.10143 -0.08137 -0.08060 -0.07809 -0.07727 Beta virt. eigenvalues -- -0.07174 -0.01851 -0.01648 -0.00613 -0.00540 Beta virt. eigenvalues -- 0.00834 0.00872 0.01056 0.02049 0.03202 Beta virt. eigenvalues -- 0.03910 0.04054 0.04289 0.04732 0.04774 Beta virt. eigenvalues -- 0.05320 0.05459 0.06399 0.06466 0.07155 Beta virt. eigenvalues -- 0.07253 0.07604 0.07795 0.08721 0.09181 Beta virt. eigenvalues -- 0.09290 0.09414 0.09753 0.11156 0.14497 Beta virt. eigenvalues -- 0.14809 0.17532 0.18815 0.19020 0.21507 Beta virt. eigenvalues -- 0.24441 0.24753 0.25116 0.26028 0.27669 Beta virt. eigenvalues -- 0.28538 0.30888 0.31779 0.33883 0.40425 Beta virt. eigenvalues -- 0.41565 0.54469 0.63888 0.63898 0.65531 Beta virt. eigenvalues -- 0.67329 0.67685 0.68193 0.68596 0.68967 Beta virt. eigenvalues -- 0.71562 0.73021 0.74670 0.79436 0.80253 Beta virt. eigenvalues -- 0.85409 0.85839 0.86068 0.86639 0.86942 Beta virt. eigenvalues -- 0.87833 0.87965 0.97727 0.97793 0.98624 Beta virt. eigenvalues -- 1.04175 1.04291 1.06191 1.09974 1.15673 Beta virt. eigenvalues -- 1.16218 1.22505 1.24834 1.24860 1.27820 Beta virt. eigenvalues -- 1.28192 1.32781 1.32989 1.34044 1.34233 Beta virt. eigenvalues -- 1.35165 1.64141 1.79996 1.80384 1.82001 Beta virt. eigenvalues -- 2.17673 2.24178 2.55965 9.40141 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.053768 -0.025236 0.070837 0.073253 -0.021306 -0.076632 2 Cu -0.025236 19.065408 -0.022409 0.072602 0.074077 -0.080060 3 Cu 0.070837 -0.022409 19.042388 -0.020092 0.068770 -0.080625 4 Cu 0.073253 0.072602 -0.020092 19.021029 -0.021104 -0.075688 5 Cu -0.021306 0.074077 0.068770 -0.021104 19.024777 -0.076263 6 Cu -0.076632 -0.080060 -0.080625 -0.075688 -0.076263 19.235181 7 Cu -0.036112 -0.038552 -0.048208 -0.044657 -0.039664 -0.098239 8 C 0.013453 0.008764 0.009792 0.009109 0.014470 0.147860 9 O -0.009280 -0.002424 0.001379 -0.003435 -0.009646 0.033832 7 8 9 1 Cu -0.036112 0.013453 -0.009280 2 Cu -0.038552 0.008764 -0.002424 3 Cu -0.048208 0.009792 0.001379 4 Cu -0.044657 0.009109 -0.003435 5 Cu -0.039664 0.014470 -0.009646 6 Cu -0.098239 0.147860 0.033832 7 Cu 19.257184 0.002830 -0.001694 8 C 0.002830 5.116002 0.553313 9 O -0.001694 0.553313 7.538235 Mulliken atomic charges: 1 1 Cu -0.042745 2 Cu -0.052170 3 Cu -0.021831 4 Cu -0.011017 5 Cu -0.014110 6 Cu 0.070634 7 Cu 0.047113 8 C 0.124407 9 O -0.100280 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.042745 2 Cu -0.052170 3 Cu -0.021831 4 Cu -0.011017 5 Cu -0.014110 6 Cu 0.070634 7 Cu 0.047113 8 C 0.124407 9 O -0.100280 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.032630 -0.002427 0.005094 0.005828 -0.003531 0.009450 2 Cu -0.002427 0.028401 -0.003852 0.005427 0.005950 0.010893 3 Cu 0.005094 -0.003852 0.020509 -0.004099 0.004822 0.008669 4 Cu 0.005828 0.005427 -0.004099 0.023406 -0.003605 0.010375 5 Cu -0.003531 0.005950 0.004822 -0.003605 0.028122 0.007539 6 Cu 0.009450 0.010893 0.008669 0.010375 0.007539 0.178436 7 Cu 0.031688 0.022600 0.013254 0.020073 0.030493 -0.061924 8 C -0.001413 -0.003269 -0.001052 -0.002684 -0.000558 -0.009725 9 O -0.000198 0.000151 -0.000176 0.000104 -0.000270 -0.000520 7 8 9 1 Cu 0.031688 -0.001413 -0.000198 2 Cu 0.022600 -0.003269 0.000151 3 Cu 0.013254 -0.001052 -0.000176 4 Cu 0.020073 -0.002684 0.000104 5 Cu 0.030493 -0.000558 -0.000270 6 Cu -0.061924 -0.009725 -0.000520 7 Cu 0.388450 -0.001767 0.000119 8 C -0.001767 0.123360 -0.022002 9 O 0.000119 -0.022002 0.037772 Mulliken atomic spin densities: 1 1 Cu 0.077121 2 Cu 0.063875 3 Cu 0.043168 4 Cu 0.054826 5 Cu 0.068962 6 Cu 0.153193 7 Cu 0.442985 8 C 0.080890 9 O 0.014981 Sum of Mulliken spin densities= 1.00000 APT atomic charges: 1 1 Cu -0.001074 2 Cu -0.021256 3 Cu -0.010748 4 Cu 0.021939 5 Cu 0.022844 6 Cu -0.101583 7 Cu -0.064632 8 C 1.150017 9 O -0.995508 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.001074 2 Cu -0.021256 3 Cu -0.010748 4 Cu 0.021939 5 Cu 0.022844 6 Cu -0.101583 7 Cu -0.064632 8 C 1.150017 9 O -0.995508 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 2869.3145 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 1.3034 Y= -0.0365 Z= -0.4573 Tot= 1.3817 Quadrupole moment (field-independent basis, Debye-Ang): XX= -101.9818 YY= -105.4919 ZZ= -102.3293 XY= 5.6190 XZ= 3.8530 YZ= -5.2934 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.2858 YY= -2.2242 ZZ= 0.9384 XY= 5.6190 XZ= 3.8530 YZ= -5.2934 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 74.6852 YYY= -99.4115 ZZZ= -67.6106 XYY= 23.9325 XXY= -33.3350 XXZ= -22.4467 XZZ= 29.6360 YZZ= -41.5020 YYZ= -25.9280 XYZ= 3.6122 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1147.3993 YYYY= -1414.5895 ZZZZ= -1051.6215 XXXY= 140.8968 XXXZ= 67.9573 YYYX= 162.2821 YYYZ= -117.0187 ZZZX= 64.3681 ZZZY= -96.5160 XXYY= -436.2157 XXZZ= -367.4262 YYZZ= -408.4617 XXYZ= -39.6489 YYXZ= 33.7385 ZZXY= 45.9160 N-N= 1.707448403515D+03 E-N=-7.043752527467D+03 KE= 1.004833740771D+03 Exact polarizability: 270.202 -8.689 276.685 0.369 -1.044 255.628 Approx polarizability: 629.943 0.180 628.389 23.233 -36.628 577.509 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00058 0.00021 0.00019 2 Cu(63) 0.00000 0.00048 0.00017 0.00016 3 Cu(63) 0.00000 0.00040 0.00014 0.00013 4 Cu(63) 0.00000 0.00041 0.00015 0.00014 5 Cu(63) 0.00000 0.00051 0.00018 0.00017 6 Cu(63) 0.00000 0.00051 0.00018 0.00017 7 Cu(63) 0.00001 0.01069 0.00381 0.00357 8 C(13) 0.08884 99.87432 35.63764 33.31449 9 O(17) 0.01267 -7.67861 -2.73992 -2.56131 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.044193 0.040613 0.003580 2 Atom 0.037659 -0.019003 -0.018656 3 Atom -0.041674 0.012810 0.028864 4 Atom 0.011455 0.019527 -0.030982 5 Atom 0.001486 -0.025236 0.023750 6 Atom -0.009165 -0.011404 0.020569 7 Atom 0.025690 -0.018195 -0.007496 8 Atom -0.025121 0.004521 0.020600 9 Atom -0.060488 -0.011431 0.071920 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.001427 -0.057891 -0.007432 2 Atom -0.005103 0.009943 0.050259 3 Atom -0.037423 -0.006821 -0.010053 4 Atom 0.024157 -0.039699 0.030189 5 Atom -0.049673 0.032993 0.033958 6 Atom 0.002307 0.002920 -0.007418 7 Atom 0.046386 0.040940 -0.064535 8 Atom -0.020447 0.037251 -0.066867 9 Atom -0.035807 0.048524 -0.094015 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0832 -11.774 -4.201 -3.927 0.8293 0.0430 0.5572 1 Cu(63) Bbb 0.0362 5.118 1.826 1.707 -0.3935 0.7529 0.5275 Bcc 0.0470 6.656 2.375 2.220 0.3968 0.6567 -0.6413 Baa -0.0701 -9.930 -3.543 -3.312 -0.0983 -0.7025 0.7048 2 Cu(63) Bbb 0.0301 4.258 1.519 1.420 -0.3665 0.6840 0.6307 Bcc 0.0401 5.673 2.024 1.892 0.9252 0.1963 0.3247 Baa -0.0620 -8.774 -3.131 -2.927 0.8818 0.4570 0.1168 3 Cu(63) Bbb 0.0251 3.553 1.268 1.185 -0.3790 0.5391 0.7521 Bcc 0.0369 5.221 1.863 1.742 -0.2807 0.7075 -0.6486 Baa -0.0710 -10.057 -3.589 -3.355 0.4896 -0.3905 0.7796 4 Cu(63) Bbb 0.0307 4.350 1.552 1.451 -0.4755 0.6299 0.6141 Bcc 0.0403 5.707 2.036 1.904 0.7309 0.6713 -0.1227 Baa -0.0839 -11.879 -4.239 -3.962 0.5715 0.7160 -0.4010 5 Cu(63) Bbb 0.0364 5.149 1.837 1.718 -0.5290 0.6950 0.4870 Bcc 0.0475 6.729 2.401 2.245 0.6273 -0.0661 0.7759 Baa -0.0146 -2.069 -0.738 -0.690 -0.4780 0.8506 0.2190 6 Cu(63) Bbb -0.0078 -1.101 -0.393 -0.367 0.8752 0.4825 0.0361 Bcc 0.0224 3.169 1.131 1.057 0.0750 -0.2089 0.9751 Baa -0.1065 -15.084 -5.382 -5.031 -0.4237 0.6688 0.6109 7 Cu(63) Bbb 0.0515 7.288 2.601 2.431 0.3147 -0.5238 0.7916 Bcc 0.0551 7.796 2.782 2.600 0.8494 0.5277 0.0115 Baa -0.0589 -7.908 -2.822 -2.638 -0.3994 0.6009 0.6923 8 C(13) Bbb -0.0354 -4.754 -1.696 -1.586 0.8557 0.5155 0.0463 Bcc 0.0944 12.661 4.518 4.223 0.3291 -0.6109 0.7201 Baa -0.0794 5.745 2.050 1.916 0.8597 0.5091 0.0406 9 O(17) Bbb -0.0709 5.129 1.830 1.711 -0.4306 0.6797 0.5938 Bcc 0.1503 -10.874 -3.880 -3.627 0.2747 -0.5280 0.8036 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sun Apr 13 00:14:35 2008, MaxMem= 1258291200 cpu: 2.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 5.12778174D-01-1.43611394D-02-1.79912925D-01 Polarizability= 2.70202311D+02-8.68897863D+00 2.76685476D+02 3.69488391D-01-1.04411697D+00 2.55627857D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000188869 -0.000030674 0.000035017 2 29 0.000140509 0.000318758 -0.000096490 3 29 -0.000238910 -0.000129790 0.000108776 4 29 0.000117404 0.000371105 -0.000347875 5 29 0.000222008 -0.000216178 0.000396918 6 29 -0.000277391 0.000240195 -0.000003592 7 29 -0.000189397 -0.000172422 -0.000105777 8 6 0.002072937 -0.002592813 0.000180542 9 8 -0.001658292 0.002211819 -0.000167520 ------------------------------------------------------------------- Cartesian Forces: Max 0.002592813 RMS 0.000854493 Leave Link 716 at Sun Apr 13 00:14:35 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=1 IStep= 2. Leave Link 106 at Sun Apr 13 00:14:36 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0000 0.0019 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1707.3273877824 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sun Apr 13 00:14:36 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 551 NPtTot= 95194 NUsed= 99088 NTot= 99120 NSgBfM= 186 186 186 186. Leave Link 302 at Sun Apr 13 00:14:39 2008, MaxMem= 1258291200 cpu: 7.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 1707.5211004488 hartrees. Leave Link 303 at Sun Apr 13 00:14:39 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. of initial guess= 0.7536 Leave Link 401 at Sun Apr 13 00:14:40 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 99087 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306793046. IEnd= 239252 IEndB= 239252 NGot=1258291200 MDV= 955639085 LenX= 955639085 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1486.54106254321 DIIS: error= 9.95D-04 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1486.54106254321 IErMin= 1 ErrMin= 9.95D-04 ErrMax= 9.95D-04 EMaxC= 1.00D-01 BMatC= 3.75D-04 BMatP= 3.75D-04 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.95D-03 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.069 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.55D-04 MaxDP=8.69D-03 OVMax= 5.65D-02 Cycle 2 Pass 1 IDiag 1: E= -1486.54020941957 Delta-E= 0.000853123634 Rises=F Damp=F DIIS: error= 2.05D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1486.54106254321 IErMin= 1 ErrMin= 9.95D-04 ErrMax= 2.05D-03 EMaxC= 1.00D-01 BMatC= 2.41D-03 BMatP= 3.75D-04 IDIUse=3 WtCom= 1.81D-01 WtEn= 8.19D-01 Coeff-Com: 0.744D+00 0.256D+00 Coeff-En: 0.716D+00 0.284D+00 Coeff: 0.721D+00 0.279D+00 Gap= 0.066 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.03D-04 MaxDP=4.57D-03 DE= 8.53D-04 OVMax= 2.28D-02 Cycle 3 Pass 1 IDiag 1: E= -1486.54149802432 Delta-E= -0.001288604750 Rises=F Damp=F DIIS: error= 3.70D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1486.54149802432 IErMin= 3 ErrMin= 3.70D-04 ErrMax= 3.70D-04 EMaxC= 1.00D-01 BMatC= 2.38D-04 BMatP= 3.75D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.70D-03 Coeff-Com: 0.461D+00 0.169D+00 0.370D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.460D+00 0.168D+00 0.372D+00 Gap= 0.066 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=7.09D-05 MaxDP=1.15D-03 DE=-1.29D-03 OVMax= 2.22D-03 Cycle 4 Pass 1 IDiag 1: E= -1486.54154872362 Delta-E= -0.000050699300 Rises=F Damp=F DIIS: error= 1.38D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1486.54154872362 IErMin= 4 ErrMin= 1.38D-04 ErrMax= 1.38D-04 EMaxC= 1.00D-01 BMatC= 2.24D-05 BMatP= 2.38D-04 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.38D-03 Coeff-Com: 0.894D-01-0.149D-01 0.176D+00 0.750D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.892D-01-0.149D-01 0.176D+00 0.750D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.38D-05 MaxDP=5.31D-04 DE=-5.07D-05 OVMax= 2.43D-03 Cycle 5 Pass 1 IDiag 1: E= -1486.54155584807 Delta-E= -0.000007124451 Rises=F Damp=F DIIS: error= 6.66D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1486.54155584807 IErMin= 5 ErrMin= 6.66D-05 ErrMax= 6.66D-05 EMaxC= 1.00D-01 BMatC= 6.31D-06 BMatP= 2.24D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.410D-01-0.213D-01 0.898D-01 0.525D+00 0.365D+00 Coeff: 0.410D-01-0.213D-01 0.898D-01 0.525D+00 0.365D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.16D-05 MaxDP=4.12D-04 DE=-7.12D-06 OVMax= 6.84D-04 Cycle 6 Pass 1 IDiag 1: E= -1486.54155722481 Delta-E= -0.000001376737 Rises=F Damp=F DIIS: error= 4.23D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1486.54155722481 IErMin= 6 ErrMin= 4.23D-05 ErrMax= 4.23D-05 EMaxC= 1.00D-01 BMatC= 1.24D-06 BMatP= 6.31D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.965D-02-0.181D-01-0.150D-01 0.125D+00 0.286D+00 0.631D+00 Coeff: -0.965D-02-0.181D-01-0.150D-01 0.125D+00 0.286D+00 0.631D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.94D-06 MaxDP=1.61D-04 DE=-1.38D-06 OVMax= 1.11D-03 Cycle 7 Pass 1 IDiag 1: E= -1486.54155770958 Delta-E= -0.000000484775 Rises=F Damp=F DIIS: error= 2.26D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1486.54155770958 IErMin= 7 ErrMin= 2.26D-05 ErrMax= 2.26D-05 EMaxC= 1.00D-01 BMatC= 5.85D-07 BMatP= 1.24D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.941D-02-0.813D-02-0.227D-01-0.149D-01 0.106D+00 0.503D+00 Coeff-Com: 0.446D+00 Coeff: -0.941D-02-0.813D-02-0.227D-01-0.149D-01 0.106D+00 0.503D+00 Coeff: 0.446D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=5.44D-06 MaxDP=1.42D-04 DE=-4.85D-07 OVMax= 6.67D-04 Cycle 8 Pass 1 IDiag 1: E= -1486.54155794756 Delta-E= -0.000000237971 Rises=F Damp=F DIIS: error= 1.44D-05 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1486.54155794756 IErMin= 8 ErrMin= 1.44D-05 ErrMax= 1.44D-05 EMaxC= 1.00D-01 BMatC= 1.44D-07 BMatP= 5.85D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.355D-02-0.141D-02-0.945D-02-0.500D-01-0.422D-01 0.154D+00 Coeff-Com: 0.365D+00 0.587D+00 Coeff: -0.355D-02-0.141D-02-0.945D-02-0.500D-01-0.422D-01 0.154D+00 Coeff: 0.365D+00 0.587D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.63D-06 MaxDP=1.32D-04 DE=-2.38D-07 OVMax= 6.27D-04 Cycle 9 Pass 1 IDiag 1: E= -1486.54155802326 Delta-E= -0.000000075706 Rises=F Damp=F DIIS: error= 8.03D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1486.54155802326 IErMin= 9 ErrMin= 8.03D-06 ErrMax= 8.03D-06 EMaxC= 1.00D-01 BMatC= 3.29D-08 BMatP= 1.44D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.110D-02 0.133D-02 0.457D-02-0.239D-01-0.861D-01-0.129D+00 Coeff-Com: 0.115D+00 0.355D+00 0.761D+00 Coeff: 0.110D-02 0.133D-02 0.457D-02-0.239D-01-0.861D-01-0.129D+00 Coeff: 0.115D+00 0.355D+00 0.761D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.76D-06 MaxDP=6.00D-05 DE=-7.57D-08 OVMax= 4.15D-04 Cycle 10 Pass 1 IDiag 1: E= -1486.54155805624 Delta-E= -0.000000032981 Rises=F Damp=F DIIS: error= 3.84D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1486.54155805624 IErMin=10 ErrMin= 3.84D-06 ErrMax= 3.84D-06 EMaxC= 1.00D-01 BMatC= 7.89D-09 BMatP= 3.29D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.119D-02 0.792D-03 0.481D-02-0.640D-02-0.489D-01-0.116D+00 Coeff-Com: 0.339D-01 0.124D+00 0.458D+00 0.548D+00 Coeff: 0.119D-02 0.792D-03 0.481D-02-0.640D-02-0.489D-01-0.116D+00 Coeff: 0.339D-01 0.124D+00 0.458D+00 0.548D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=9.78D-07 MaxDP=2.52D-05 DE=-3.30D-08 OVMax= 1.31D-04 Cycle 11 Pass 1 IDiag 1: E= -1486.54155806028 Delta-E= -0.000000004041 Rises=F Damp=F DIIS: error= 1.64D-06 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1486.54155806028 IErMin=11 ErrMin= 1.64D-06 ErrMax= 1.64D-06 EMaxC= 1.00D-01 BMatC= 3.05D-09 BMatP= 7.89D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.829D-03 0.389D-03 0.308D-02 0.777D-03-0.206D-01-0.706D-01 Coeff-Com: -0.210D-02 0.182D-01 0.207D+00 0.433D+00 0.430D+00 Coeff: 0.829D-03 0.389D-03 0.308D-02 0.777D-03-0.206D-01-0.706D-01 Coeff: -0.210D-02 0.182D-01 0.207D+00 0.433D+00 0.430D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.86D-07 MaxDP=6.74D-06 DE=-4.04D-09 OVMax= 3.66D-05 Cycle 12 Pass 1 IDiag 1: E= -1486.54155806117 Delta-E= -0.000000000887 Rises=F Damp=F DIIS: error= 6.58D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1486.54155806117 IErMin=12 ErrMin= 6.58D-07 ErrMax= 6.58D-07 EMaxC= 1.00D-01 BMatC= 4.45D-10 BMatP= 3.05D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.139D-03-0.495D-04 0.202D-03 0.328D-02 0.479D-02-0.285D-02 Coeff-Com: -0.121D-01-0.308D-01-0.433D-01 0.132D+00 0.289D+00 0.660D+00 Coeff: 0.139D-03-0.495D-04 0.202D-03 0.328D-02 0.479D-02-0.285D-02 Coeff: -0.121D-01-0.308D-01-0.433D-01 0.132D+00 0.289D+00 0.660D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.89D-07 MaxDP=5.40D-06 DE=-8.87D-10 OVMax= 2.41D-05 Cycle 13 Pass 1 IDiag 1: E= -1486.54155806133 Delta-E= -0.000000000157 Rises=F Damp=F DIIS: error= 2.92D-07 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1486.54155806133 IErMin=13 ErrMin= 2.92D-07 ErrMax= 2.92D-07 EMaxC= 1.00D-01 BMatC= 1.17D-10 BMatP= 4.45D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.403D-04-0.956D-04-0.340D-03 0.208D-02 0.634D-02 0.816D-02 Coeff-Com: -0.877D-02-0.207D-01-0.547D-01 0.222D-01 0.126D+00 0.454D+00 Coeff-Com: 0.465D+00 Coeff: -0.403D-04-0.956D-04-0.340D-03 0.208D-02 0.634D-02 0.816D-02 Coeff: -0.877D-02-0.207D-01-0.547D-01 0.222D-01 0.126D+00 0.454D+00 Coeff: 0.465D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.34D-08 MaxDP=1.51D-06 DE=-1.57D-10 OVMax= 8.35D-06 Cycle 14 Pass 1 IDiag 1: E= -1486.54155806136 Delta-E= -0.000000000031 Rises=F Damp=F DIIS: error= 1.75D-07 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1486.54155806136 IErMin=14 ErrMin= 1.75D-07 ErrMax= 1.75D-07 EMaxC= 1.00D-01 BMatC= 2.74D-11 BMatP= 1.17D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.789D-04-0.388D-04-0.274D-03-0.887D-04 0.234D-02 0.590D-02 Coeff-Com: -0.153D-02-0.120D-02-0.160D-01-0.313D-01-0.242D-01 0.547D-02 Coeff-Com: 0.355D+00 0.706D+00 Coeff: -0.789D-04-0.388D-04-0.274D-03-0.887D-04 0.234D-02 0.590D-02 Coeff: -0.153D-02-0.120D-02-0.160D-01-0.313D-01-0.242D-01 0.547D-02 Coeff: 0.355D+00 0.706D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=5.19D-08 MaxDP=1.25D-06 DE=-3.09D-11 OVMax= 8.29D-06 Cycle 15 Pass 1 IDiag 1: E= -1486.54155806138 Delta-E= -0.000000000017 Rises=F Damp=F DIIS: error= 4.81D-08 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1486.54155806138 IErMin=15 ErrMin= 4.81D-08 ErrMax= 4.81D-08 EMaxC= 1.00D-01 BMatC= 1.08D-12 BMatP= 2.74D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.279D-04-0.820D-05-0.610D-04-0.201D-03 0.716D-04 0.122D-02 Coeff-Com: 0.693D-03 0.167D-02-0.184D-03-0.119D-01-0.206D-01-0.486D-01 Coeff-Com: 0.494D-01 0.219D+00 0.810D+00 Coeff: -0.279D-04-0.820D-05-0.610D-04-0.201D-03 0.716D-04 0.122D-02 Coeff: 0.693D-03 0.167D-02-0.184D-03-0.119D-01-0.206D-01-0.486D-01 Coeff: 0.494D-01 0.219D+00 0.810D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.01D-08 MaxDP=6.87D-07 DE=-1.73D-11 OVMax= 2.74D-06 Cycle 16 Pass 1 IDiag 1: E= -1486.54155806138 Delta-E= -0.000000000004 Rises=F Damp=F DIIS: error= 2.50D-08 at cycle 16 NSaved= 16. NSaved=16 IEnMin=16 EnMin= -1486.54155806138 IErMin=16 ErrMin= 2.50D-08 ErrMax= 2.50D-08 EMaxC= 1.00D-01 BMatC= 3.90D-13 BMatP= 1.08D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.846D-05 0.474D-05 0.440D-04-0.415D-04-0.444D-03-0.952D-03 Coeff-Com: 0.743D-03 0.437D-03 0.309D-02 0.315D-02-0.356D-02-0.153D-01 Coeff-Com: -0.577D-01-0.558D-01 0.302D+00 0.825D+00 Coeff: 0.846D-05 0.474D-05 0.440D-04-0.415D-04-0.444D-03-0.952D-03 Coeff: 0.743D-03 0.437D-03 0.309D-02 0.315D-02-0.356D-02-0.153D-01 Coeff: -0.577D-01-0.558D-01 0.302D+00 0.825D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.60D-09 MaxDP=2.46D-07 DE=-3.64D-12 OVMax= 1.19D-06 SCF Done: E(UB+HF-LYP) = -1486.54155806 A.U. after 16 cycles Convg = 0.8601D-08 -V/T = 2.4794 S**2 = 0.7533 KE= 1.004828531060D+03 PE=-7.043813695640D+03 EE= 2.844922506070D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7533, after 0.7500 Leave Link 502 at Sun Apr 13 00:15:30 2008, MaxMem= 1258291200 cpu: 174.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 172 NBasis= 172 NAE= 74 NBE= 73 NFC= 0 NFV= 0 NROrb= 172 NOA= 74 NOB= 73 NVA= 98 NVB= 99 **** Warning!!: The largest alpha MO coefficient is 0.12827272D+02 **** Warning!!: The smallest alpha delta epsilon is 0.65431478D-01 **** Warning!!: The largest beta MO coefficient is 0.12830994D+02 Leave Link 801 at Sun Apr 13 00:15:31 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 9. Will process 10 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Sun Apr 13 00:15:38 2008, MaxMem= 1258291200 cpu: 18.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 9. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sun Apr 13 00:15:39 2008, MaxMem= 1258291200 cpu: 0.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 9. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291126. G2DrvN: will do 10 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Sun Apr 13 00:16:56 2008, MaxMem= 1258291200 cpu: 292.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: UHF wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291126 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 303287223. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. CalDSu exits because no D1Ps are significant. There are 3 degrees of freedom in the 1st order CPHF. 3 vectors were produced by pass 0. AX will form 3 AO Fock derivatives at one time. 3 vectors were produced by pass 1. 3 vectors were produced by pass 2. 3 vectors were produced by pass 3. 3 vectors were produced by pass 4. 3 vectors were produced by pass 5. 3 vectors were produced by pass 6. 3 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. 3 vectors were produced by pass 11. 3 vectors were produced by pass 12. 3 vectors were produced by pass 13. 3 vectors were produced by pass 14. 3 vectors were produced by pass 15. 3 vectors were produced by pass 16. 3 vectors were produced by pass 17. 1 vectors were produced by pass 18. 1 vectors were produced by pass 19. Inv2: IOpt= 1 Iter= 1 AM= 9.76D-16 Conv= 1.00D-12. Inverted reduced A of dimension 56 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.268535D+03 2 -0.787153D+01 0.278695D+03 3 0.112453D+01 -0.100386D+01 0.255738D+03 Isotropic polarizability for W= 0.000000 267.66 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sun Apr 13 00:18:25 2008, MaxMem= 1258291200 cpu: 315.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26463 -10.34651 -4.34579 -4.30003 -4.29788 Alpha occ. eigenvalues -- -4.29755 -4.29743 -4.29682 -4.29661 -2.85662 Alpha occ. eigenvalues -- -2.85010 -2.84952 -2.80794 -2.80791 -2.80714 Alpha occ. eigenvalues -- -2.80635 -2.80629 -2.80576 -2.80573 -2.80531 Alpha occ. eigenvalues -- -2.80500 -2.80488 -2.80406 -2.80390 -2.80380 Alpha occ. eigenvalues -- -2.80353 -2.80337 -2.80326 -2.80275 -2.80257 Alpha occ. eigenvalues -- -1.17998 -0.58125 -0.48205 -0.47572 -0.46373 Alpha occ. eigenvalues -- -0.36281 -0.34006 -0.33963 -0.32906 -0.32899 Alpha occ. eigenvalues -- -0.32572 -0.31027 -0.30992 -0.30950 -0.30937 Alpha occ. eigenvalues -- -0.30911 -0.30323 -0.29374 -0.29357 -0.29329 Alpha occ. eigenvalues -- -0.29302 -0.28146 -0.28090 -0.28082 -0.28062 Alpha occ. eigenvalues -- -0.27489 -0.27447 -0.27313 -0.26989 -0.26913 Alpha occ. eigenvalues -- -0.26874 -0.26860 -0.26730 -0.26334 -0.26290 Alpha occ. eigenvalues -- -0.26129 -0.26117 -0.26110 -0.25481 -0.25471 Alpha occ. eigenvalues -- -0.25399 -0.20873 -0.20863 -0.14951 Alpha virt. eigenvalues -- -0.08408 -0.08269 -0.08237 -0.08058 -0.07622 Alpha virt. eigenvalues -- -0.02776 -0.02377 -0.00763 -0.00690 -0.00013 Alpha virt. eigenvalues -- 0.00798 0.00962 0.01729 0.03003 0.03763 Alpha virt. eigenvalues -- 0.03915 0.04256 0.04550 0.04622 0.05039 Alpha virt. eigenvalues -- 0.05175 0.06028 0.06064 0.07025 0.07156 Alpha virt. eigenvalues -- 0.07586 0.07662 0.07918 0.09001 0.09125 Alpha virt. eigenvalues -- 0.09245 0.09582 0.11047 0.14132 0.14406 Alpha virt. eigenvalues -- 0.17188 0.18573 0.18626 0.21244 0.24176 Alpha virt. eigenvalues -- 0.24292 0.24688 0.25464 0.27297 0.28449 Alpha virt. eigenvalues -- 0.30345 0.31415 0.33439 0.40200 0.41534 Alpha virt. eigenvalues -- 0.54278 0.63526 0.63554 0.65179 0.67106 Alpha virt. eigenvalues -- 0.67448 0.67995 0.68457 0.68930 0.71362 Alpha virt. eigenvalues -- 0.72846 0.74416 0.79037 0.79933 0.85118 Alpha virt. eigenvalues -- 0.85537 0.85758 0.86225 0.86581 0.87654 Alpha virt. eigenvalues -- 0.87754 0.97439 0.97508 0.98286 1.03846 Alpha virt. eigenvalues -- 1.03969 1.05983 1.09488 1.15406 1.15997 Alpha virt. eigenvalues -- 1.21806 1.24626 1.24686 1.27318 1.27701 Alpha virt. eigenvalues -- 1.32325 1.32468 1.33752 1.34158 1.34923 Alpha virt. eigenvalues -- 1.64043 1.79612 1.80222 1.81952 2.17472 Alpha virt. eigenvalues -- 2.23969 2.55509 9.40021 Beta occ. eigenvalues -- -19.26394 -10.34486 -4.34357 -4.29926 -4.29723 Beta occ. eigenvalues -- -4.29686 -4.29674 -4.29608 -4.29588 -2.85425 Beta occ. eigenvalues -- -2.84818 -2.84725 -2.80715 -2.80714 -2.80642 Beta occ. eigenvalues -- -2.80566 -2.80559 -2.80529 -2.80519 -2.80471 Beta occ. eigenvalues -- -2.80452 -2.80407 -2.80370 -2.80362 -2.80318 Beta occ. eigenvalues -- -2.80284 -2.80248 -2.80230 -2.80159 -2.80141 Beta occ. eigenvalues -- -1.17831 -0.57836 -0.47883 -0.47477 -0.45746 Beta occ. eigenvalues -- -0.35745 -0.33888 -0.33820 -0.32721 -0.32713 Beta occ. eigenvalues -- -0.32104 -0.30884 -0.30864 -0.30838 -0.30817 Beta occ. eigenvalues -- -0.30736 -0.30140 -0.29313 -0.29295 -0.29238 Beta occ. eigenvalues -- -0.29213 -0.28017 -0.27962 -0.27955 -0.27934 Beta occ. eigenvalues -- -0.27366 -0.27359 -0.26980 -0.26916 -0.26904 Beta occ. eigenvalues -- -0.26773 -0.26724 -0.26330 -0.26138 -0.26109 Beta occ. eigenvalues -- -0.26067 -0.25954 -0.25952 -0.25436 -0.25340 Beta occ. eigenvalues -- -0.25262 -0.20573 -0.20542 Beta virt. eigenvalues -- -0.10222 -0.08193 -0.08137 -0.07832 -0.07752 Beta virt. eigenvalues -- -0.07250 -0.01899 -0.01680 -0.00650 -0.00623 Beta virt. eigenvalues -- 0.00666 0.00823 0.00987 0.01971 0.03098 Beta virt. eigenvalues -- 0.03787 0.03928 0.04351 0.04708 0.04883 Beta virt. eigenvalues -- 0.05232 0.05347 0.06279 0.06292 0.07059 Beta virt. eigenvalues -- 0.07190 0.07608 0.07685 0.08538 0.09014 Beta virt. eigenvalues -- 0.09143 0.09302 0.09698 0.11020 0.14435 Beta virt. eigenvalues -- 0.14721 0.17488 0.18818 0.18938 0.21519 Beta virt. eigenvalues -- 0.24441 0.24574 0.25081 0.25976 0.27601 Beta virt. eigenvalues -- 0.28464 0.30777 0.31699 0.33830 0.40455 Beta virt. eigenvalues -- 0.41625 0.54546 0.63820 0.63842 0.65527 Beta virt. eigenvalues -- 0.67266 0.67616 0.68189 0.68583 0.69018 Beta virt. eigenvalues -- 0.71506 0.72998 0.74642 0.79408 0.80243 Beta virt. eigenvalues -- 0.85389 0.85797 0.86000 0.86581 0.86877 Beta virt. eigenvalues -- 0.87777 0.87904 0.97664 0.97728 0.98549 Beta virt. eigenvalues -- 1.04108 1.04230 1.06126 1.09913 1.15613 Beta virt. eigenvalues -- 1.16156 1.22449 1.24760 1.24808 1.27752 Beta virt. eigenvalues -- 1.28132 1.32710 1.32917 1.33981 1.34165 Beta virt. eigenvalues -- 1.35107 1.64154 1.79932 1.80273 1.81966 Beta virt. eigenvalues -- 2.17599 2.24103 2.55852 9.40173 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.025806 -0.022144 0.070182 0.074538 -0.020824 -0.075872 2 Cu -0.022144 19.033232 -0.021123 0.073001 0.072132 -0.077304 3 Cu 0.070182 -0.021123 19.051839 -0.023489 0.070753 -0.081286 4 Cu 0.074538 0.073001 -0.023489 19.058320 -0.024501 -0.077314 5 Cu -0.020824 0.072132 0.070753 -0.024501 19.038492 -0.075381 6 Cu -0.075872 -0.077304 -0.081286 -0.077314 -0.075381 19.234813 7 Cu -0.040504 -0.043753 -0.046909 -0.039711 -0.038875 -0.096458 8 C 0.013409 0.008929 0.009758 0.009035 0.014331 0.146668 9 O -0.009036 -0.002223 0.001380 -0.003566 -0.009609 0.033552 7 8 9 1 Cu -0.040504 0.013409 -0.009036 2 Cu -0.043753 0.008929 -0.002223 3 Cu -0.046909 0.009758 0.001380 4 Cu -0.039711 0.009035 -0.003566 5 Cu -0.038875 0.014331 -0.009609 6 Cu -0.096458 0.146668 0.033552 7 Cu 19.264193 0.002660 -0.001642 8 C 0.002660 5.114439 0.554771 9 O -0.001642 0.554771 7.531711 Mulliken atomic charges: 1 1 Cu -0.015556 2 Cu -0.020748 3 Cu -0.031105 4 Cu -0.046315 5 Cu -0.026518 6 Cu 0.068582 7 Cu 0.040999 8 C 0.126000 9 O -0.095339 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.015556 2 Cu -0.020748 3 Cu -0.031105 4 Cu -0.046315 5 Cu -0.026518 6 Cu 0.068582 7 Cu 0.040999 8 C 0.126000 9 O -0.095339 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.027808 -0.003635 0.004900 0.005938 -0.003810 0.008250 2 Cu -0.003635 0.023334 -0.004212 0.005431 0.005576 0.009805 3 Cu 0.004900 -0.004212 0.021692 -0.003805 0.005068 0.008656 4 Cu 0.005938 0.005431 -0.003805 0.028635 -0.002955 0.011130 5 Cu -0.003810 0.005576 0.005068 -0.002955 0.029916 0.007985 6 Cu 0.008250 0.009805 0.008656 0.011130 0.007985 0.178593 7 Cu 0.029612 0.020240 0.014906 0.023794 0.031762 -0.060458 8 C -0.001192 -0.002553 -0.001259 -0.003305 -0.000804 -0.009682 9 O -0.000151 0.000076 -0.000144 0.000164 -0.000263 -0.000534 7 8 9 1 Cu 0.029612 -0.001192 -0.000151 2 Cu 0.020240 -0.002553 0.000076 3 Cu 0.014906 -0.001259 -0.000144 4 Cu 0.023794 -0.003305 0.000164 5 Cu 0.031762 -0.000804 -0.000263 6 Cu -0.060458 -0.009682 -0.000534 7 Cu 0.392420 -0.001998 0.000137 8 C -0.001998 0.118315 -0.020504 9 O 0.000137 -0.020504 0.034951 Mulliken atomic spin densities: 1 1 Cu 0.067721 2 Cu 0.054064 3 Cu 0.045800 4 Cu 0.065028 5 Cu 0.072475 6 Cu 0.153745 7 Cu 0.450416 8 C 0.077020 9 O 0.013733 Sum of Mulliken spin densities= 1.00000 APT atomic charges: 1 1 Cu 0.022342 2 Cu 0.007749 3 Cu -0.020444 4 Cu -0.013062 5 Cu 0.009925 6 Cu -0.102594 7 Cu -0.065449 8 C 1.132734 9 O -0.971202 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.022342 2 Cu 0.007749 3 Cu -0.020444 4 Cu -0.013062 5 Cu 0.009925 6 Cu -0.102594 7 Cu -0.065449 8 C 1.132734 9 O -0.971202 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 2869.6148 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0507 Y= -1.3291 Z= -0.4560 Tot= 1.4061 Quadrupole moment (field-independent basis, Debye-Ang): XX= -100.8312 YY= -107.0804 ZZ= -102.2954 XY= 5.1714 XZ= 3.2572 YZ= -5.6697 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.5711 YY= -3.6781 ZZ= 1.1069 XY= 5.1714 XZ= 3.2572 YZ= -5.6697 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 62.9122 YYY= -111.5411 ZZZ= -67.4083 XYY= 20.6057 XXY= -37.2951 XXZ= -22.6435 XZZ= 26.1053 YZZ= -45.3684 YYZ= -26.1686 XYZ= 4.0087 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1126.6586 YYYY= -1441.3544 ZZZZ= -1051.7738 XXXY= 137.8896 XXXZ= 64.5529 YYYX= 157.6726 YYYZ= -119.5377 ZZZX= 59.1705 ZZZY= -100.2153 XXYY= -438.6344 XXZZ= -364.2856 YYZZ= -412.5717 XXYZ= -40.9476 YYXZ= 31.7634 ZZXY= 45.4651 N-N= 1.707521100449D+03 E-N=-7.043813679931D+03 KE= 1.004828531060D+03 Exact polarizability: 268.535 -7.872 278.695 1.125 -1.004 255.738 Approx polarizability: 626.476 3.451 628.356 25.496 -38.992 576.621 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00051 0.00018 0.00017 2 Cu(63) 0.00000 0.00043 0.00015 0.00014 3 Cu(63) 0.00000 0.00042 0.00015 0.00014 4 Cu(63) 0.00000 0.00048 0.00017 0.00016 5 Cu(63) 0.00000 0.00054 0.00019 0.00018 6 Cu(63) 0.00000 0.00051 0.00018 0.00017 7 Cu(63) 0.00001 0.01060 0.00378 0.00354 8 C(13) 0.08817 99.11931 35.36823 33.06264 9 O(17) 0.01216 -7.37158 -2.63036 -2.45889 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.042623 0.039660 0.002963 2 Atom 0.037790 -0.017905 -0.019885 3 Atom -0.041625 0.011862 0.029763 4 Atom 0.011766 0.019823 -0.031589 5 Atom -0.001510 -0.023569 0.025079 6 Atom -0.009333 -0.010255 0.019588 7 Atom 0.025908 -0.018630 -0.007278 8 Atom -0.020813 0.003394 0.017418 9 Atom -0.053379 -0.011931 0.065311 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.000304 -0.057988 -0.006445 2 Atom -0.004054 0.008870 0.050152 3 Atom -0.039201 -0.004607 -0.009330 4 Atom 0.024703 -0.040284 0.030726 5 Atom -0.050822 0.032953 0.032066 6 Atom 0.002199 0.003215 -0.006578 7 Atom 0.046350 0.041343 -0.064239 8 Atom -0.021474 0.037416 -0.062606 9 Atom -0.037511 0.051132 -0.087379 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0822 -11.642 -4.154 -3.883 0.8254 0.0278 0.5639 1 Cu(63) Bbb 0.0355 5.020 1.791 1.674 -0.3657 0.7873 0.4965 Bcc 0.0468 6.623 2.363 2.209 -0.4302 -0.6160 0.6599 Baa -0.0698 -9.888 -3.528 -3.298 -0.0850 -0.6956 0.7134 2 Cu(63) Bbb 0.0300 4.247 1.515 1.417 -0.3579 0.6895 0.6297 Bcc 0.0398 5.641 2.013 1.882 0.9299 0.2018 0.3075 Baa -0.0631 -8.934 -3.188 -2.980 0.8778 0.4703 0.0908 3 Cu(63) Bbb 0.0254 3.595 1.283 1.199 -0.3662 0.5367 0.7601 Bcc 0.0377 5.339 1.905 1.781 -0.3088 0.7005 -0.6434 Baa -0.0723 -10.231 -3.651 -3.413 0.4888 -0.3913 0.7797 4 Cu(63) Bbb 0.0311 4.405 1.572 1.469 -0.4771 0.6283 0.6144 Bcc 0.0412 5.826 2.079 1.943 0.7303 0.6724 -0.1204 Baa -0.0837 -11.856 -4.230 -3.955 0.5920 0.7066 -0.3875 5 Cu(63) Bbb 0.0363 5.132 1.831 1.712 -0.5167 0.7018 0.4903 Bcc 0.0475 6.723 2.399 2.243 0.6184 -0.0900 0.7807 Baa -0.0136 -1.925 -0.687 -0.642 -0.5699 0.7938 0.2126 6 Cu(63) Bbb -0.0076 -1.078 -0.385 -0.360 0.8170 0.5751 0.0425 Bcc 0.0212 3.003 1.072 1.002 0.0885 -0.1979 0.9762 Baa -0.1066 -15.087 -5.383 -5.032 -0.4245 0.6693 0.6098 7 Cu(63) Bbb 0.0514 7.276 2.596 2.427 0.1773 -0.5990 0.7809 Bcc 0.0552 7.811 2.787 2.605 0.8879 0.4396 0.1356 Baa -0.0563 -7.550 -2.694 -2.519 -0.3776 0.6022 0.7034 8 C(13) Bbb -0.0334 -4.475 -1.597 -1.493 0.8538 0.5205 0.0126 Bcc 0.0896 12.026 4.291 4.011 0.3585 -0.6053 0.7107 Baa -0.0755 5.464 1.950 1.823 0.8507 0.5253 0.0171 9 O(17) Bbb -0.0672 4.860 1.734 1.621 -0.4263 0.6707 0.6070 Bcc 0.1427 -10.324 -3.684 -3.444 0.3074 -0.5236 0.7946 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sun Apr 13 00:18:27 2008, MaxMem= 1258291200 cpu: 2.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 1.99625899D-02-5.22916153D-01-1.79400375D-01 Polarizability= 2.68535417D+02-7.87153255D+00 2.78695389D+02 1.12453057D+00-1.00386280D+00 2.55737618D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000142755 -0.000359471 0.000343281 2 29 -0.000162136 0.000341355 -0.000349970 3 29 0.000025054 -0.000032952 0.000268697 4 29 -0.000279414 0.000122765 -0.000215963 5 29 0.000259508 0.000060443 0.000192584 6 29 -0.000121533 0.000502533 -0.000087333 7 29 0.000100534 0.000067695 -0.000206820 8 6 0.002445272 -0.004546797 0.000247721 9 8 -0.002124530 0.003844429 -0.000192198 ------------------------------------------------------------------- Cartesian Forces: Max 0.004546797 RMS 0.001322612 Leave Link 716 at Sun Apr 13 00:18:27 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=2 IStep= 1. Leave Link 106 at Sun Apr 13 00:18:27 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0000 -0.0019 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1707.3273877824 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sun Apr 13 00:18:28 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 551 NPtTot= 95194 NUsed= 99088 NTot= 99120 NSgBfM= 186 186 186 186. Leave Link 302 at Sun Apr 13 00:18:30 2008, MaxMem= 1258291200 cpu: 7.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 1707.1336751160 hartrees. Leave Link 303 at Sun Apr 13 00:18:30 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. of initial guess= 0.7536 Leave Link 401 at Sun Apr 13 00:18:31 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 99087 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306793046. IEnd= 239252 IEndB= 239252 NGot=1258291200 MDV= 955639085 LenX= 955639085 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1486.54107012921 DIIS: error= 9.95D-04 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1486.54107012921 IErMin= 1 ErrMin= 9.95D-04 ErrMax= 9.95D-04 EMaxC= 1.00D-01 BMatC= 3.75D-04 BMatP= 3.75D-04 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.95D-03 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.058 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=4.77D-04 MaxDP=9.95D-03 OVMax= 6.26D-02 Cycle 2 Pass 1 IDiag 1: E= -1486.54008042032 Delta-E= 0.000989708892 Rises=F Damp=F DIIS: error= 2.00D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1486.54107012921 IErMin= 1 ErrMin= 9.95D-04 ErrMax= 2.00D-03 EMaxC= 1.00D-01 BMatC= 2.68D-03 BMatP= 3.75D-04 IDIUse=3 WtCom= 1.83D-01 WtEn= 8.17D-01 Coeff-Com: 0.756D+00 0.244D+00 Coeff-En: 0.732D+00 0.268D+00 Coeff: 0.736D+00 0.264D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=3.11D-04 MaxDP=5.83D-03 DE= 9.90D-04 OVMax= 2.84D-02 Cycle 3 Pass 1 IDiag 1: E= -1486.54150253760 Delta-E= -0.001422117281 Rises=F Damp=F DIIS: error= 3.62D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1486.54150253760 IErMin= 3 ErrMin= 3.62D-04 ErrMax= 3.62D-04 EMaxC= 1.00D-01 BMatC= 2.15D-04 BMatP= 3.75D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.62D-03 Coeff-Com: 0.459D+00 0.149D+00 0.391D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.458D+00 0.149D+00 0.393D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=6.87D-05 MaxDP=1.08D-03 DE=-1.42D-03 OVMax= 2.58D-03 Cycle 4 Pass 1 IDiag 1: E= -1486.54155409542 Delta-E= -0.000051557827 Rises=F Damp=F DIIS: error= 1.28D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1486.54155409542 IErMin= 4 ErrMin= 1.28D-04 ErrMax= 1.28D-04 EMaxC= 1.00D-01 BMatC= 2.87D-05 BMatP= 2.15D-04 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.28D-03 Coeff-Com: 0.114D+00-0.942D-02 0.207D+00 0.688D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.114D+00-0.941D-02 0.207D+00 0.689D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=3.60D-05 MaxDP=6.55D-04 DE=-5.16D-05 OVMax= 2.39D-03 Cycle 5 Pass 1 IDiag 1: E= -1486.54156059271 Delta-E= -0.000006497284 Rises=F Damp=F DIIS: error= 1.00D-04 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1486.54156059271 IErMin= 5 ErrMin= 1.00D-04 ErrMax= 1.00D-04 EMaxC= 1.00D-01 BMatC= 1.49D-05 BMatP= 2.87D-05 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.00D-03 Coeff-Com: 0.494D-01-0.236D-01 0.113D+00 0.536D+00 0.326D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.122D+00 0.878D+00 Coeff: 0.493D-01-0.235D-01 0.113D+00 0.535D+00 0.326D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.50D-05 MaxDP=5.00D-04 DE=-6.50D-06 OVMax= 6.63D-04 Cycle 6 Pass 1 IDiag 1: E= -1486.54156355111 Delta-E= -0.000002958404 Rises=F Damp=F DIIS: error= 4.60D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1486.54156355111 IErMin= 6 ErrMin= 4.60D-05 ErrMax= 4.60D-05 EMaxC= 1.00D-01 BMatC= 1.46D-06 BMatP= 1.49D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.359D-02-0.223D-01 0.672D-02 0.208D+00 0.215D+00 0.596D+00 Coeff: -0.359D-02-0.223D-01 0.672D-02 0.208D+00 0.215D+00 0.596D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=9.23D-06 MaxDP=1.80D-04 DE=-2.96D-06 OVMax= 9.48D-04 Cycle 7 Pass 1 IDiag 1: E= -1486.54156412563 Delta-E= -0.000000574518 Rises=F Damp=F DIIS: error= 2.41D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1486.54156412563 IErMin= 7 ErrMin= 2.41D-05 ErrMax= 2.41D-05 EMaxC= 1.00D-01 BMatC= 7.54D-07 BMatP= 1.46D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.832D-02-0.100D-01-0.177D-01 0.149D-01 0.320D-01 0.482D+00 Coeff-Com: 0.507D+00 Coeff: -0.832D-02-0.100D-01-0.177D-01 0.149D-01 0.320D-01 0.482D+00 Coeff: 0.507D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=7.06D-06 MaxDP=1.82D-04 DE=-5.75D-07 OVMax= 9.26D-04 Cycle 8 Pass 1 IDiag 1: E= -1486.54156447920 Delta-E= -0.000000353571 Rises=F Damp=F DIIS: error= 1.46D-05 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1486.54156447920 IErMin= 8 ErrMin= 1.46D-05 ErrMax= 1.46D-05 EMaxC= 1.00D-01 BMatC= 2.21D-07 BMatP= 7.54D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.533D-02-0.260D-02-0.140D-01-0.489D-01-0.639D-01 0.172D+00 Coeff-Com: 0.404D+00 0.559D+00 Coeff: -0.533D-02-0.260D-02-0.140D-01-0.489D-01-0.639D-01 0.172D+00 Coeff: 0.404D+00 0.559D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=4.68D-06 MaxDP=1.80D-04 DE=-3.54D-07 OVMax= 7.68D-04 Cycle 9 Pass 1 IDiag 1: E= -1486.54156459431 Delta-E= -0.000000115107 Rises=F Damp=F DIIS: error= 1.05D-05 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1486.54156459431 IErMin= 9 ErrMin= 1.05D-05 ErrMax= 1.05D-05 EMaxC= 1.00D-01 BMatC= 5.66D-08 BMatP= 2.21D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.446D-03 0.797D-03 0.293D-02-0.289D-01-0.647D-01-0.145D+00 Coeff-Com: 0.824D-01 0.346D+00 0.806D+00 Coeff: 0.446D-03 0.797D-03 0.293D-02-0.289D-01-0.647D-01-0.145D+00 Coeff: 0.824D-01 0.346D+00 0.806D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=3.81D-06 MaxDP=7.98D-05 DE=-1.15D-07 OVMax= 5.55D-04 Cycle 10 Pass 1 IDiag 1: E= -1486.54156465004 Delta-E= -0.000000055734 Rises=F Damp=F DIIS: error= 4.47D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1486.54156465004 IErMin=10 ErrMin= 4.47D-06 ErrMax= 4.47D-06 EMaxC= 1.00D-01 BMatC= 1.87D-08 BMatP= 5.66D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.149D-02 0.727D-03 0.560D-02-0.112D-01-0.357D-01-0.145D+00 Coeff-Com: 0.137D-01 0.125D+00 0.536D+00 0.509D+00 Coeff: 0.149D-02 0.727D-03 0.560D-02-0.112D-01-0.357D-01-0.145D+00 Coeff: 0.137D-01 0.125D+00 0.536D+00 0.509D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.58D-06 MaxDP=4.29D-05 DE=-5.57D-08 OVMax= 2.11D-04 Cycle 11 Pass 1 IDiag 1: E= -1486.54156465997 Delta-E= -0.000000009929 Rises=F Damp=F DIIS: error= 2.46D-06 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1486.54156465997 IErMin=11 ErrMin= 2.46D-06 ErrMax= 2.46D-06 EMaxC= 1.00D-01 BMatC= 8.32D-09 BMatP= 1.87D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.114D-02 0.363D-03 0.444D-02-0.119D-02-0.133D-01-0.103D+00 Coeff-Com: -0.183D-01 0.122D-01 0.279D+00 0.447D+00 0.391D+00 Coeff: 0.114D-02 0.363D-03 0.444D-02-0.119D-02-0.133D-01-0.103D+00 Coeff: -0.183D-01 0.122D-01 0.279D+00 0.447D+00 0.391D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=6.70D-07 MaxDP=1.22D-05 DE=-9.93D-09 OVMax= 7.87D-05 Cycle 12 Pass 1 IDiag 1: E= -1486.54156466290 Delta-E= -0.000000002931 Rises=F Damp=F DIIS: error= 6.10D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1486.54156466290 IErMin=12 ErrMin= 6.10D-07 ErrMax= 6.10D-07 EMaxC= 1.00D-01 BMatC= 3.86D-10 BMatP= 8.32D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.104D-03-0.114D-03 0.115D-03 0.391D-02 0.549D-02 0.245D-02 Coeff-Com: -0.730D-02-0.299D-01-0.766D-01 0.882D-01 0.149D+00 0.865D+00 Coeff: 0.104D-03-0.114D-03 0.115D-03 0.391D-02 0.549D-02 0.245D-02 Coeff: -0.730D-02-0.299D-01-0.766D-01 0.882D-01 0.149D+00 0.865D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=3.08D-07 MaxDP=7.13D-06 DE=-2.93D-09 OVMax= 4.73D-05 Cycle 13 Pass 1 IDiag 1: E= -1486.54156466329 Delta-E= -0.000000000390 Rises=F Damp=F DIIS: error= 4.00D-07 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1486.54156466329 IErMin=13 ErrMin= 4.00D-07 ErrMax= 4.00D-07 EMaxC= 1.00D-01 BMatC= 9.45D-11 BMatP= 3.86D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.694D-04-0.118D-03-0.416D-03 0.235D-02 0.464D-02 0.123D-01 Coeff-Com: -0.286D-02-0.161D-01-0.705D-01 0.381D-02 0.506D-01 0.489D+00 Coeff-Com: 0.528D+00 Coeff: -0.694D-04-0.118D-03-0.416D-03 0.235D-02 0.464D-02 0.123D-01 Coeff: -0.286D-02-0.161D-01-0.705D-01 0.381D-02 0.506D-01 0.489D+00 Coeff: 0.528D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=8.21D-08 MaxDP=2.21D-06 DE=-3.90D-10 OVMax= 1.28D-05 Cycle 14 Pass 1 IDiag 1: E= -1486.54156466334 Delta-E= -0.000000000044 Rises=F Damp=F DIIS: error= 3.16D-07 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1486.54156466334 IErMin=14 ErrMin= 3.16D-07 ErrMax= 3.16D-07 EMaxC= 1.00D-01 BMatC= 4.58D-11 BMatP= 9.45D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.102D-03-0.347D-04-0.373D-03-0.682D-04 0.124D-02 0.848D-02 Coeff-Com: 0.900D-04 0.460D-03-0.193D-01-0.368D-01-0.183D-01-0.202D-01 Coeff-Com: 0.445D+00 0.640D+00 Coeff: -0.102D-03-0.347D-04-0.373D-03-0.682D-04 0.124D-02 0.848D-02 Coeff: 0.900D-04 0.460D-03-0.193D-01-0.368D-01-0.183D-01-0.202D-01 Coeff: 0.445D+00 0.640D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=6.96D-08 MaxDP=1.66D-06 DE=-4.41D-11 OVMax= 1.17D-05 Cycle 15 Pass 1 IDiag 1: E= -1486.54156466336 Delta-E= -0.000000000027 Rises=F Damp=F DIIS: error= 7.29D-08 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1486.54156466336 IErMin=15 ErrMin= 7.29D-08 ErrMax= 7.29D-08 EMaxC= 1.00D-01 BMatC= 2.23D-12 BMatP= 4.58D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.397D-04-0.641D-05-0.934D-04-0.256D-03-0.154D-03 0.165D-02 Coeff-Com: 0.754D-03 0.191D-02 0.141D-02-0.136D-01-0.129D-01-0.751D-01 Coeff-Com: 0.762D-01 0.228D+00 0.792D+00 Coeff: -0.397D-04-0.641D-05-0.934D-04-0.256D-03-0.154D-03 0.165D-02 Coeff: 0.754D-03 0.191D-02 0.141D-02-0.136D-01-0.129D-01-0.751D-01 Coeff: 0.762D-01 0.228D+00 0.792D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.91D-08 MaxDP=1.04D-06 DE=-2.73D-11 OVMax= 4.22D-06 Cycle 16 Pass 1 IDiag 1: E= -1486.54156466336 Delta-E= 0.000000000005 Rises=F Damp=F DIIS: error= 3.05D-08 at cycle 16 NSaved= 16. NSaved=16 IEnMin=15 EnMin= -1486.54156466336 IErMin=16 ErrMin= 3.05D-08 ErrMax= 3.05D-08 EMaxC= 1.00D-01 BMatC= 9.03D-13 BMatP= 2.23D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.612D-06 0.168D-05 0.231D-04-0.115D-03-0.253D-03-0.667D-03 Coeff-Com: 0.488D-03 0.742D-03 0.381D-02-0.117D-03-0.489D-02-0.334D-01 Coeff-Com: -0.274D-01 0.182D-01 0.404D+00 0.640D+00 Coeff: -0.612D-06 0.168D-05 0.231D-04-0.115D-03-0.253D-03-0.667D-03 Coeff: 0.488D-03 0.742D-03 0.381D-02-0.117D-03-0.489D-02-0.334D-01 Coeff: -0.274D-01 0.182D-01 0.404D+00 0.640D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.15D-08 MaxDP=2.54D-07 DE= 4.55D-12 OVMax= 1.24D-06 Cycle 17 Pass 1 IDiag 1: E= -1486.54156466336 Delta-E= -0.000000000007 Rises=F Damp=F DIIS: error= 2.38D-08 at cycle 17 NSaved= 17. NSaved=17 IEnMin=17 EnMin= -1486.54156466336 IErMin=17 ErrMin= 2.38D-08 ErrMax= 2.38D-08 EMaxC= 1.00D-01 BMatC= 9.78D-13 BMatP= 9.03D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.109D-04 0.353D-05 0.501D-04-0.358D-04-0.194D-03-0.115D-02 Coeff-Com: 0.217D-03 0.110D-03 0.327D-02 0.391D-02-0.914D-03-0.105D-01 Coeff-Com: -0.482D-01-0.472D-01 0.164D+00 0.582D+00 0.355D+00 Coeff: 0.109D-04 0.353D-05 0.501D-04-0.358D-04-0.194D-03-0.115D-02 Coeff: 0.217D-03 0.110D-03 0.327D-02 0.391D-02-0.914D-03-0.105D-01 Coeff: -0.482D-01-0.472D-01 0.164D+00 0.582D+00 0.355D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=5.48D-09 MaxDP=9.01D-08 DE=-6.82D-12 OVMax= 5.79D-07 SCF Done: E(UB+HF-LYP) = -1486.54156466 A.U. after 17 cycles Convg = 0.5484D-08 -V/T = 2.4794 S**2 = 0.7540 KE= 1.004858915240D+03 PE=-7.043496536574D+03 EE= 2.844962381555D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7540, after 0.7500 Leave Link 502 at Sun Apr 13 00:19:23 2008, MaxMem= 1258291200 cpu: 183.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 172 NBasis= 172 NAE= 74 NBE= 73 NFC= 0 NFV= 0 NROrb= 172 NOA= 74 NOB= 73 NVA= 98 NVB= 99 **** Warning!!: The largest alpha MO coefficient is 0.13187002D+02 **** Warning!!: The smallest alpha delta epsilon is 0.61320058D-01 **** Warning!!: The largest beta MO coefficient is 0.13190214D+02 Leave Link 801 at Sun Apr 13 00:19:24 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 9. Will process 10 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Sun Apr 13 00:19:32 2008, MaxMem= 1258291200 cpu: 18.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 9. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sun Apr 13 00:19:33 2008, MaxMem= 1258291200 cpu: 0.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 9. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291126. G2DrvN: will do 10 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Sun Apr 13 00:20:51 2008, MaxMem= 1258291200 cpu: 286.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: UHF wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291126 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 303287223. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. CalDSu exits because no D1Ps are significant. There are 3 degrees of freedom in the 1st order CPHF. 3 vectors were produced by pass 0. AX will form 3 AO Fock derivatives at one time. 3 vectors were produced by pass 1. 3 vectors were produced by pass 2. 3 vectors were produced by pass 3. 3 vectors were produced by pass 4. 3 vectors were produced by pass 5. 3 vectors were produced by pass 6. 3 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. 3 vectors were produced by pass 11. 3 vectors were produced by pass 12. 3 vectors were produced by pass 13. 3 vectors were produced by pass 14. 3 vectors were produced by pass 15. 3 vectors were produced by pass 16. 3 vectors were produced by pass 17. 1 vectors were produced by pass 18. 1 vectors were produced by pass 19. Inv2: IOpt= 1 Iter= 1 AM= 1.60D-15 Conv= 1.00D-12. Inverted reduced A of dimension 56 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.268205D+03 2 -0.932669D+01 0.276952D+03 3 -0.620488D+00 0.700339D+00 0.255332D+03 Isotropic polarizability for W= 0.000000 266.83 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sun Apr 13 00:22:19 2008, MaxMem= 1258291200 cpu: 309.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26298 -10.34510 -4.34352 -4.29641 -4.29467 Alpha occ. eigenvalues -- -4.29433 -4.29409 -4.29334 -4.29310 -2.85445 Alpha occ. eigenvalues -- -2.84778 -2.84710 -2.80442 -2.80440 -2.80377 Alpha occ. eigenvalues -- -2.80305 -2.80291 -2.80243 -2.80231 -2.80177 Alpha occ. eigenvalues -- -2.80164 -2.80150 -2.80080 -2.80068 -2.80048 Alpha occ. eigenvalues -- -2.80030 -2.80011 -2.79977 -2.79918 -2.79899 Alpha occ. eigenvalues -- -1.18004 -0.58316 -0.48330 -0.47694 -0.46378 Alpha occ. eigenvalues -- -0.35952 -0.33734 -0.33700 -0.32639 -0.32629 Alpha occ. eigenvalues -- -0.32314 -0.30690 -0.30671 -0.30618 -0.30598 Alpha occ. eigenvalues -- -0.30585 -0.29993 -0.29050 -0.29030 -0.28996 Alpha occ. eigenvalues -- -0.28961 -0.27819 -0.27768 -0.27758 -0.27722 Alpha occ. eigenvalues -- -0.27167 -0.27117 -0.26997 -0.26662 -0.26571 Alpha occ. eigenvalues -- -0.26538 -0.26525 -0.26376 -0.25995 -0.25947 Alpha occ. eigenvalues -- -0.25792 -0.25773 -0.25769 -0.25154 -0.25135 Alpha occ. eigenvalues -- -0.25054 -0.20538 -0.20532 -0.14511 Alpha virt. eigenvalues -- -0.08379 -0.08033 -0.07880 -0.07863 -0.07186 Alpha virt. eigenvalues -- -0.02513 -0.02109 -0.00349 -0.00130 0.00445 Alpha virt. eigenvalues -- 0.01195 0.01347 0.02395 0.03553 0.04104 Alpha virt. eigenvalues -- 0.04254 0.04467 0.04806 0.05071 0.05112 Alpha virt. eigenvalues -- 0.05224 0.06841 0.06944 0.07373 0.07442 Alpha virt. eigenvalues -- 0.07968 0.08067 0.09188 0.09406 0.09492 Alpha virt. eigenvalues -- 0.09968 0.10033 0.11473 0.14549 0.14781 Alpha virt. eigenvalues -- 0.17369 0.18597 0.19058 0.21225 0.24523 Alpha virt. eigenvalues -- 0.24896 0.24954 0.25721 0.27673 0.28827 Alpha virt. eigenvalues -- 0.30969 0.31790 0.33727 0.39968 0.41223 Alpha virt. eigenvalues -- 0.53886 0.63864 0.63871 0.65182 0.67399 Alpha virt. eigenvalues -- 0.67808 0.68067 0.68506 0.68706 0.71670 Alpha virt. eigenvalues -- 0.72983 0.74568 0.79194 0.80000 0.85153 Alpha virt. eigenvalues -- 0.85868 0.86076 0.86516 0.86931 0.87954 Alpha virt. eigenvalues -- 0.88073 0.97774 0.97852 0.98682 1.04198 Alpha virt. eigenvalues -- 1.04292 1.06324 1.09820 1.15729 1.16329 Alpha virt. eigenvalues -- 1.22129 1.24989 1.24995 1.27677 1.28016 Alpha virt. eigenvalues -- 1.32713 1.32873 1.34083 1.34512 1.35238 Alpha virt. eigenvalues -- 1.63976 1.79987 1.80719 1.82204 2.17870 Alpha virt. eigenvalues -- 2.24370 2.56144 9.39852 Beta occ. eigenvalues -- -19.26200 -10.34313 -4.34140 -4.29558 -4.29406 Beta occ. eigenvalues -- -4.29367 -4.29341 -4.29263 -4.29237 -2.85227 Beta occ. eigenvalues -- -2.84596 -2.84486 -2.80359 -2.80357 -2.80299 Beta occ. eigenvalues -- -2.80244 -2.80224 -2.80191 -2.80173 -2.80135 Beta occ. eigenvalues -- -2.80113 -2.80082 -2.80034 -2.80020 -2.79978 Beta occ. eigenvalues -- -2.79970 -2.79929 -2.79906 -2.79803 -2.79783 Beta occ. eigenvalues -- -1.17777 -0.57955 -0.47877 -0.47568 -0.45638 Beta occ. eigenvalues -- -0.35419 -0.33626 -0.33551 -0.32458 -0.32446 Beta occ. eigenvalues -- -0.31847 -0.30559 -0.30539 -0.30495 -0.30492 Beta occ. eigenvalues -- -0.30397 -0.29814 -0.28985 -0.28966 -0.28912 Beta occ. eigenvalues -- -0.28875 -0.27687 -0.27642 -0.27637 -0.27600 Beta occ. eigenvalues -- -0.27043 -0.27034 -0.26656 -0.26603 -0.26561 Beta occ. eigenvalues -- -0.26442 -0.26397 -0.25986 -0.25809 -0.25775 Beta occ. eigenvalues -- -0.25722 -0.25610 -0.25607 -0.25103 -0.25012 Beta occ. eigenvalues -- -0.24923 -0.20240 -0.20200 Beta virt. eigenvalues -- -0.09803 -0.07815 -0.07772 -0.07662 -0.07599 Beta virt. eigenvalues -- -0.06829 -0.01676 -0.01452 -0.00175 -0.00020 Beta virt. eigenvalues -- 0.00879 0.01219 0.01379 0.02852 0.03668 Beta virt. eigenvalues -- 0.04159 0.04291 0.04741 0.04905 0.05184 Beta virt. eigenvalues -- 0.05348 0.05389 0.07013 0.07111 0.07406 Beta virt. eigenvalues -- 0.07472 0.07972 0.08075 0.09420 0.09512 Beta virt. eigenvalues -- 0.09757 0.10123 0.10133 0.11450 0.14880 Beta virt. eigenvalues -- 0.15065 0.17677 0.18806 0.19358 0.21503 Beta virt. eigenvalues -- 0.24777 0.25082 0.25425 0.26235 0.27983 Beta virt. eigenvalues -- 0.28844 0.31387 0.32077 0.34126 0.40305 Beta virt. eigenvalues -- 0.41328 0.54169 0.64141 0.64178 0.65537 Beta virt. eigenvalues -- 0.67557 0.67987 0.68275 0.68629 0.68834 Beta virt. eigenvalues -- 0.71810 0.73130 0.74809 0.79575 0.80317 Beta virt. eigenvalues -- 0.85484 0.86114 0.86319 0.86887 0.87212 Beta virt. eigenvalues -- 0.88080 0.88226 0.97998 0.98073 0.98947 Beta virt. eigenvalues -- 1.04458 1.04553 1.06468 1.10235 1.15936 Beta virt. eigenvalues -- 1.16483 1.22756 1.25114 1.25126 1.28110 Beta virt. eigenvalues -- 1.28440 1.33077 1.33306 1.34313 1.34520 Beta virt. eigenvalues -- 1.35417 1.64110 1.80300 1.80766 1.82214 Beta virt. eigenvalues -- 2.17998 2.24508 2.56473 9.40013 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.061073 -0.023108 0.068815 0.073692 -0.020716 -0.080113 2 Cu -0.023108 19.048032 -0.018848 0.070091 0.073096 -0.080227 3 Cu 0.068815 -0.018848 19.023229 -0.017801 0.067435 -0.079725 4 Cu 0.073692 0.070091 -0.017801 19.024642 -0.021092 -0.077213 5 Cu -0.020716 0.073096 0.067435 -0.021092 19.043170 -0.079487 6 Cu -0.080113 -0.080227 -0.079725 -0.077213 -0.079487 19.234693 7 Cu -0.030598 -0.039533 -0.050464 -0.042506 -0.032635 -0.104241 8 C 0.013878 0.008627 0.009764 0.008937 0.015003 0.153640 9 O -0.009802 -0.002563 0.001299 -0.003703 -0.010233 0.035069 7 8 9 1 Cu -0.030598 0.013878 -0.009802 2 Cu -0.039533 0.008627 -0.002563 3 Cu -0.050464 0.009764 0.001299 4 Cu -0.042506 0.008937 -0.003703 5 Cu -0.032635 0.015003 -0.010233 6 Cu -0.104241 0.153640 0.035069 7 Cu 19.227900 0.003451 -0.001920 8 C 0.003451 5.124913 0.546224 9 O -0.001920 0.546224 7.567361 Mulliken atomic charges: 1 1 Cu -0.053119 2 Cu -0.035568 3 Cu -0.003703 4 Cu -0.015047 5 Cu -0.034539 6 Cu 0.077603 7 Cu 0.070545 8 C 0.115562 9 O -0.121733 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.053119 2 Cu -0.035568 3 Cu -0.003703 4 Cu -0.015047 5 Cu -0.034539 6 Cu 0.077603 7 Cu 0.070545 8 C 0.115562 9 O -0.121733 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.035743 -0.001916 0.004975 0.006294 -0.002524 0.009883 2 Cu -0.001916 0.026452 -0.003391 0.005509 0.006238 0.011621 3 Cu 0.004975 -0.003391 0.018625 -0.003431 0.004858 0.009514 4 Cu 0.006294 0.005509 -0.003431 0.024813 -0.002731 0.011999 5 Cu -0.002524 0.006238 0.004858 -0.002731 0.032494 0.008367 6 Cu 0.009883 0.011621 0.009514 0.011999 0.008367 0.175213 7 Cu 0.032482 0.018008 0.008123 0.017260 0.032073 -0.066423 8 C -0.001015 -0.003147 -0.000700 -0.002987 -0.000097 -0.009763 9 O -0.000323 0.000128 -0.000249 0.000125 -0.000433 -0.000475 7 8 9 1 Cu 0.032482 -0.001015 -0.000323 2 Cu 0.018008 -0.003147 0.000128 3 Cu 0.008123 -0.000700 -0.000249 4 Cu 0.017260 -0.002987 0.000125 5 Cu 0.032073 -0.000097 -0.000433 6 Cu -0.066423 -0.009763 -0.000475 7 Cu 0.370833 -0.000941 0.000049 8 C -0.000941 0.149260 -0.029759 9 O 0.000049 -0.029759 0.052166 Mulliken atomic spin densities: 1 1 Cu 0.083599 2 Cu 0.059502 3 Cu 0.038322 4 Cu 0.056850 5 Cu 0.078245 6 Cu 0.149935 7 Cu 0.411465 8 C 0.100851 9 O 0.021231 Sum of Mulliken spin densities= 1.00000 APT atomic charges: 1 1 Cu -0.002898 2 Cu -0.001678 3 Cu 0.009878 4 Cu 0.022458 5 Cu 0.010922 6 Cu -0.095632 7 Cu -0.062276 8 C 1.230939 9 O -1.111714 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.002898 2 Cu -0.001678 3 Cu 0.009878 4 Cu 0.022458 5 Cu 0.010922 6 Cu -0.095632 7 Cu -0.062276 8 C 1.230939 9 O -1.111714 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 2868.0141 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.0320 Y= 1.3353 Z= -0.4578 Tot= 1.4119 Quadrupole moment (field-independent basis, Debye-Ang): XX= -100.9494 YY= -104.5996 ZZ= -102.5050 XY= 4.8901 XZ= 3.7382 YZ= -5.3980 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.7353 YY= -1.9149 ZZ= 0.1796 XY= 4.8901 XZ= 3.7382 YZ= -5.3980 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 63.6189 YYY= -86.4800 ZZZ= -68.4945 XYY= 18.0322 XXY= -28.6694 XXZ= -22.2311 XZZ= 25.4515 YZZ= -37.0164 YYZ= -24.2788 XYZ= 2.1568 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1127.5545 YYYY= -1397.5130 ZZZZ= -1052.8824 XXXY= 133.2043 XXXZ= 66.0064 YYYX= 156.4270 YYYZ= -117.5928 ZZZX= 61.6676 ZZZY= -95.2758 XXYY= -431.7518 XXZZ= -365.1023 YYZZ= -405.3166 XXYZ= -39.8366 YYXZ= 34.7862 ZZXY= 43.1990 N-N= 1.707133675116D+03 E-N=-7.043496542423D+03 KE= 1.004858915240D+03 Exact polarizability: 268.205 -9.327 276.952 -0.620 0.700 255.332 Approx polarizability: 631.473 -10.430 642.258 14.809 -23.345 582.479 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00061 0.00022 0.00020 2 Cu(63) 0.00000 0.00043 0.00015 0.00014 3 Cu(63) 0.00000 0.00035 0.00012 0.00012 4 Cu(63) 0.00000 0.00041 0.00014 0.00014 5 Cu(63) 0.00000 0.00058 0.00021 0.00019 6 Cu(63) 0.00000 0.00054 0.00019 0.00018 7 Cu(63) 0.00001 0.01109 0.00396 0.00370 8 C(13) 0.09154 102.90628 36.71952 34.32584 9 O(17) 0.01515 -9.18212 -3.27641 -3.06283 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.044358 0.042622 0.001736 2 Atom 0.035294 -0.019354 -0.015940 3 Atom -0.038056 0.011021 0.027035 4 Atom 0.009043 0.019617 -0.028661 5 Atom 0.002707 -0.025839 0.023131 6 Atom -0.011158 -0.014271 0.025429 7 Atom 0.025476 -0.016973 -0.008502 8 Atom -0.034834 -0.003748 0.038582 9 Atom -0.078857 -0.028565 0.107423 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.000020 -0.059145 -0.005991 2 Atom -0.006068 0.010658 0.048377 3 Atom -0.034559 -0.005672 -0.008700 4 Atom 0.023589 -0.040400 0.028130 5 Atom -0.051671 0.033402 0.034997 6 Atom 0.003687 0.004307 -0.009790 7 Atom 0.045303 0.041093 -0.064577 8 Atom -0.022115 0.045800 -0.081858 9 Atom -0.037688 0.058883 -0.112212 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0849 -12.017 -4.288 -4.008 0.8247 0.0264 0.5650 1 Cu(63) Bbb 0.0375 5.306 1.893 1.770 -0.4255 0.6871 0.5889 Bcc 0.0474 6.711 2.395 2.239 0.3727 0.7261 -0.5779 Baa -0.0674 -9.543 -3.405 -3.183 0.1140 0.7120 -0.6929 2 Cu(63) Bbb 0.0292 4.132 1.474 1.378 -0.4148 0.6678 0.6180 Bcc 0.0382 5.411 1.931 1.805 0.9027 0.2170 0.3714 Baa -0.0569 -8.053 -2.873 -2.686 0.8804 0.4619 0.1074 3 Cu(63) Bbb 0.0233 3.302 1.178 1.101 -0.3846 0.5629 0.7316 Bcc 0.0336 4.751 1.695 1.585 -0.2774 0.6854 -0.6732 Baa -0.0693 -9.815 -3.502 -3.274 0.5116 -0.3795 0.7709 4 Cu(63) Bbb 0.0302 4.280 1.527 1.428 -0.4341 0.6601 0.6131 Bcc 0.0391 5.535 1.975 1.846 0.7415 0.6483 -0.1730 Baa -0.0863 -12.223 -4.362 -4.077 0.5677 0.7179 -0.4028 5 Cu(63) Bbb 0.0381 5.397 1.926 1.800 -0.4602 0.6825 0.5678 Bcc 0.0482 6.826 2.436 2.277 0.6825 -0.1370 0.7179 Baa -0.0192 -2.721 -0.971 -0.908 -0.5039 0.8323 0.2311 6 Cu(63) Bbb -0.0088 -1.243 -0.444 -0.415 0.8594 0.5099 0.0377 Bcc 0.0280 3.965 1.415 1.323 0.0864 -0.2176 0.9722 Baa -0.1059 -14.996 -5.351 -5.002 -0.4220 0.6635 0.6178 7 Cu(63) Bbb 0.0516 7.311 2.609 2.439 0.3242 -0.5260 0.7863 Bcc 0.0543 7.685 2.742 2.563 0.8467 0.5321 0.0069 Baa -0.0720 -9.661 -3.447 -3.222 -0.4152 0.6404 0.6461 8 C(13) Bbb -0.0462 -6.201 -2.213 -2.069 0.8552 0.5170 0.0371 Bcc 0.1182 15.862 5.660 5.291 0.3102 -0.5680 0.7623 Baa -0.0991 7.167 2.558 2.391 0.8576 0.5132 0.0343 9 O(17) Bbb -0.0898 6.497 2.318 2.167 -0.4482 0.7128 0.5394 Bcc 0.1888 -13.664 -4.876 -4.558 0.2524 -0.4780 0.8413 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sun Apr 13 00:22:20 2008, MaxMem= 1258291200 cpu: 2.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-1.25765429D-02 5.25338223D-01-1.80103337D-01 Polarizability= 2.68205231D+02-9.32668707D+00 2.76951797D+02 -6.20487506D-01 7.00338850D-01 2.55332345D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000074581 0.000094121 0.000016145 2 29 -0.000009492 0.000054817 -0.000172601 3 29 -0.000163538 0.000018920 -0.000278665 4 29 0.000229742 0.000215342 -0.000245618 5 29 -0.000092709 -0.000175653 0.000142021 6 29 0.000078271 -0.000250479 0.000430681 7 29 0.000006421 -0.000326707 0.000342913 8 6 -0.002511393 0.004654300 -0.000199593 9 8 0.002388117 -0.004284661 -0.000035284 ------------------------------------------------------------------- Cartesian Forces: Max 0.004654300 RMS 0.001400030 Leave Link 716 at Sun Apr 13 00:22:20 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=2 IStep= 2. Leave Link 106 at Sun Apr 13 00:22:21 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0000 0.0000 0.0019 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1707.3273877824 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sun Apr 13 00:22:21 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 551 NPtTot= 95194 NUsed= 99088 NTot= 99120 NSgBfM= 186 186 186 186. Leave Link 302 at Sun Apr 13 00:22:24 2008, MaxMem= 1258291200 cpu: 7.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 1707.4454538950 hartrees. Leave Link 303 at Sun Apr 13 00:22:24 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. of initial guess= 0.7536 Leave Link 401 at Sun Apr 13 00:22:24 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 99087 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306793046. IEnd= 239252 IEndB= 239252 NGot=1258291200 MDV= 955639085 LenX= 955639085 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1486.54140755448 DIIS: error= 1.24D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1486.54140755448 IErMin= 1 ErrMin= 1.24D-03 ErrMax= 1.24D-03 EMaxC= 1.00D-01 BMatC= 3.45D-04 BMatP= 3.45D-04 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.24D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.067 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 GapD= 0.067 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.27D-04 MaxDP=6.96D-03 OVMax= 4.04D-02 Cycle 2 Pass 1 IDiag 1: E= -1486.54148012541 Delta-E= -0.000072570928 Rises=F Damp=T DIIS: error= 5.34D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1486.54148012541 IErMin= 2 ErrMin= 5.34D-04 ErrMax= 5.34D-04 EMaxC= 1.00D-01 BMatC= 2.72D-04 BMatP= 3.45D-04 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.34D-03 Coeff-Com: 0.459D+00 0.541D+00 Coeff-En: 0.418D+00 0.582D+00 Coeff: 0.459D+00 0.541D+00 Gap= 0.066 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.14D-04 MaxDP=3.43D-03 DE=-7.26D-05 OVMax= 1.81D-02 Cycle 3 Pass 1 IDiag 1: E= -1486.54180298088 Delta-E= -0.000322855474 Rises=F Damp=F DIIS: error= 5.06D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1486.54180298088 IErMin= 3 ErrMin= 5.06D-04 ErrMax= 5.06D-04 EMaxC= 1.00D-01 BMatC= 2.18D-04 BMatP= 2.72D-04 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.06D-03 Coeff-Com: 0.296D+00 0.346D+00 0.357D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.295D+00 0.344D+00 0.361D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.09D-05 MaxDP=9.58D-04 DE=-3.23D-04 OVMax= 3.14D-03 Cycle 4 Pass 1 IDiag 1: E= -1486.54186084818 Delta-E= -0.000057867294 Rises=F Damp=F DIIS: error= 8.32D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1486.54186084818 IErMin= 4 ErrMin= 8.32D-05 ErrMax= 8.32D-05 EMaxC= 1.00D-01 BMatC= 5.41D-06 BMatP= 2.18D-04 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.832D-01 0.105D-01 0.885D-01 0.818D+00 Coeff: 0.832D-01 0.105D-01 0.885D-01 0.818D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.70D-05 MaxDP=5.62D-04 DE=-5.79D-05 OVMax= 1.94D-03 Cycle 5 Pass 1 IDiag 1: E= -1486.54186287018 Delta-E= -0.000002021996 Rises=F Damp=F DIIS: error= 7.71D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1486.54186287018 IErMin= 5 ErrMin= 7.71D-05 ErrMax= 7.71D-05 EMaxC= 1.00D-01 BMatC= 4.62D-06 BMatP= 5.41D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.355D-01-0.190D-01 0.172D-01 0.559D+00 0.407D+00 Coeff: 0.355D-01-0.190D-01 0.172D-01 0.559D+00 0.407D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.12D-05 MaxDP=2.35D-04 DE=-2.02D-06 OVMax= 6.37D-04 Cycle 6 Pass 1 IDiag 1: E= -1486.54186375605 Delta-E= -0.000000885878 Rises=F Damp=F DIIS: error= 4.42D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1486.54186375605 IErMin= 6 ErrMin= 4.42D-05 ErrMax= 4.42D-05 EMaxC= 1.00D-01 BMatC= 1.71D-06 BMatP= 4.62D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.292D-02-0.159D-01-0.216D-01 0.165D+00 0.387D+00 0.483D+00 Coeff: 0.292D-02-0.159D-01-0.216D-01 0.165D+00 0.387D+00 0.483D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=5.90D-06 MaxDP=1.56D-04 DE=-8.86D-07 OVMax= 4.91D-04 Cycle 7 Pass 1 IDiag 1: E= -1486.54186407006 Delta-E= -0.000000314006 Rises=F Damp=F DIIS: error= 1.26D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1486.54186407006 IErMin= 7 ErrMin= 1.26D-05 ErrMax= 1.26D-05 EMaxC= 1.00D-01 BMatC= 2.32D-07 BMatP= 1.71D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.276D-02-0.798D-02-0.166D-01 0.168D-01 0.222D+00 0.328D+00 Coeff-Com: 0.461D+00 Coeff: -0.276D-02-0.798D-02-0.166D-01 0.168D-01 0.222D+00 0.328D+00 Coeff: 0.461D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.82D-06 MaxDP=9.77D-05 DE=-3.14D-07 OVMax= 4.60D-04 Cycle 8 Pass 1 IDiag 1: E= -1486.54186416834 Delta-E= -0.000000098283 Rises=F Damp=F DIIS: error= 7.88D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1486.54186416834 IErMin= 8 ErrMin= 7.88D-06 ErrMax= 7.88D-06 EMaxC= 1.00D-01 BMatC= 4.95D-08 BMatP= 2.32D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.166D-02-0.140D-02-0.474D-02-0.253D-01 0.637D-01 0.979D-01 Coeff-Com: 0.333D+00 0.539D+00 Coeff: -0.166D-02-0.140D-02-0.474D-02-0.253D-01 0.637D-01 0.979D-01 Coeff: 0.333D+00 0.539D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.61D-06 MaxDP=5.19D-05 DE=-9.83D-08 OVMax= 2.22D-04 Cycle 9 Pass 1 IDiag 1: E= -1486.54186418553 Delta-E= -0.000000017188 Rises=F Damp=F DIIS: error= 3.64D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1486.54186418553 IErMin= 9 ErrMin= 3.64D-06 ErrMax= 3.64D-06 EMaxC= 1.00D-01 BMatC= 1.21D-08 BMatP= 4.95D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.321D-03 0.154D-02 0.279D-02-0.239D-01-0.468D-01-0.556D-01 Coeff-Com: 0.106D+00 0.380D+00 0.636D+00 Coeff: -0.321D-03 0.154D-02 0.279D-02-0.239D-01-0.468D-01-0.556D-01 Coeff: 0.106D+00 0.380D+00 0.636D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.16D-06 MaxDP=2.56D-05 DE=-1.72D-08 OVMax= 1.55D-04 Cycle 10 Pass 1 IDiag 1: E= -1486.54186419378 Delta-E= -0.000000008248 Rises=F Damp=F DIIS: error= 2.03D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1486.54186419378 IErMin=10 ErrMin= 2.03D-06 ErrMax= 2.03D-06 EMaxC= 1.00D-01 BMatC= 2.88D-09 BMatP= 1.21D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.248D-03 0.145D-02 0.339D-02-0.108D-01-0.562D-01-0.653D-01 Coeff-Com: -0.601D-02 0.145D+00 0.390D+00 0.597D+00 Coeff: 0.248D-03 0.145D-02 0.339D-02-0.108D-01-0.562D-01-0.653D-01 Coeff: -0.601D-02 0.145D+00 0.390D+00 0.597D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=5.57D-07 MaxDP=1.16D-05 DE=-8.25D-09 OVMax= 7.52D-05 Cycle 11 Pass 1 IDiag 1: E= -1486.54186419545 Delta-E= -0.000000001673 Rises=F Damp=F DIIS: error= 1.05D-06 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1486.54186419545 IErMin=11 ErrMin= 1.05D-06 ErrMax= 1.05D-06 EMaxC= 1.00D-01 BMatC= 9.55D-10 BMatP= 2.88D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.238D-03 0.546D-03 0.137D-02-0.130D-02-0.250D-01-0.258D-01 Coeff-Com: -0.188D-01 0.735D-02 0.606D-01 0.429D+00 0.572D+00 Coeff: 0.238D-03 0.546D-03 0.137D-02-0.130D-02-0.250D-01-0.258D-01 Coeff: -0.188D-01 0.735D-02 0.606D-01 0.429D+00 0.572D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.23D-07 MaxDP=9.12D-06 DE=-1.67D-09 OVMax= 4.10D-05 Cycle 12 Pass 1 IDiag 1: E= -1486.54186419570 Delta-E= -0.000000000250 Rises=F Damp=F DIIS: error= 7.29D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1486.54186419570 IErMin=12 ErrMin= 7.29D-07 ErrMax= 7.29D-07 EMaxC= 1.00D-01 BMatC= 3.48D-10 BMatP= 9.55D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.715D-04-0.792D-04-0.361D-03 0.306D-02 0.292D-02 0.448D-02 Coeff-Com: -0.570D-02-0.421D-01-0.967D-01 0.382D-01 0.478D+00 0.618D+00 Coeff: 0.715D-04-0.792D-04-0.361D-03 0.306D-02 0.292D-02 0.448D-02 Coeff: -0.570D-02-0.421D-01-0.967D-01 0.382D-01 0.478D+00 0.618D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.65D-07 MaxDP=2.83D-06 DE=-2.50D-10 OVMax= 1.24D-05 Cycle 13 Pass 1 IDiag 1: E= -1486.54186419591 Delta-E= -0.000000000206 Rises=F Damp=F DIIS: error= 2.61D-07 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1486.54186419591 IErMin=13 ErrMin= 2.61D-07 ErrMax= 2.61D-07 EMaxC= 1.00D-01 BMatC= 2.83D-11 BMatP= 3.48D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.219D-04-0.115D-03-0.356D-03 0.202D-02 0.432D-02 0.543D-02 Coeff-Com: -0.161D-02-0.264D-01-0.690D-01-0.168D-01 0.249D+00 0.372D+00 Coeff-Com: 0.482D+00 Coeff: 0.219D-04-0.115D-03-0.356D-03 0.202D-02 0.432D-02 0.543D-02 Coeff: -0.161D-02-0.264D-01-0.690D-01-0.168D-01 0.249D+00 0.372D+00 Coeff: 0.482D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.72D-08 MaxDP=1.58D-06 DE=-2.06D-10 OVMax= 6.15D-06 Cycle 14 Pass 1 IDiag 1: E= -1486.54186419592 Delta-E= -0.000000000010 Rises=F Damp=F DIIS: error= 1.71D-07 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1486.54186419592 IErMin=14 ErrMin= 1.71D-07 ErrMax= 1.71D-07 EMaxC= 1.00D-01 BMatC= 1.15D-11 BMatP= 2.83D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.215D-04-0.552D-04-0.121D-03-0.572D-05 0.230D-02 0.238D-02 Coeff-Com: 0.205D-02 0.623D-03-0.843D-02-0.386D-01-0.392D-01-0.488D-02 Coeff-Com: 0.414D+00 0.670D+00 Coeff: -0.215D-04-0.552D-04-0.121D-03-0.572D-05 0.230D-02 0.238D-02 Coeff: 0.205D-02 0.623D-03-0.843D-02-0.386D-01-0.392D-01-0.488D-02 Coeff: 0.414D+00 0.670D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.73D-08 MaxDP=8.75D-07 DE=-1.00D-11 OVMax= 6.65D-06 Cycle 15 Pass 1 IDiag 1: E= -1486.54186419592 Delta-E= -0.000000000006 Rises=F Damp=F DIIS: error= 3.61D-08 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1486.54186419592 IErMin=15 ErrMin= 3.61D-08 ErrMax= 3.61D-08 EMaxC= 1.00D-01 BMatC= 1.07D-12 BMatP= 1.15D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.114D-04-0.102D-04-0.225D-05-0.245D-03 0.197D-03 0.829D-04 Coeff-Com: 0.173D-02 0.408D-02 0.412D-02-0.108D-01-0.433D-01-0.588D-01 Coeff-Com: 0.627D-01 0.231D+00 0.810D+00 Coeff: -0.114D-04-0.102D-04-0.225D-05-0.245D-03 0.197D-03 0.829D-04 Coeff: 0.173D-02 0.408D-02 0.412D-02-0.108D-01-0.433D-01-0.588D-01 Coeff: 0.627D-01 0.231D+00 0.810D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.80D-08 MaxDP=6.50D-07 DE=-6.37D-12 OVMax= 2.68D-06 Cycle 16 Pass 1 IDiag 1: E= -1486.54186419592 Delta-E= 0.000000000001 Rises=F Damp=F DIIS: error= 2.01D-08 at cycle 16 NSaved= 16. NSaved=16 IEnMin=15 EnMin= -1486.54186419592 IErMin=16 ErrMin= 2.01D-08 ErrMax= 2.01D-08 EMaxC= 1.00D-01 BMatC= 3.18D-13 BMatP= 1.07D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.357D-05 0.721D-05 0.281D-04-0.550D-04-0.566D-03-0.406D-03 Coeff-Com: 0.200D-03 0.922D-03 0.204D-02 0.426D-02-0.688D-03-0.198D-01 Coeff-Com: -0.657D-01-0.846D-01 0.245D+00 0.919D+00 Coeff: 0.357D-05 0.721D-05 0.281D-04-0.550D-04-0.566D-03-0.406D-03 Coeff: 0.200D-03 0.922D-03 0.204D-02 0.426D-02-0.688D-03-0.198D-01 Coeff: -0.657D-01-0.846D-01 0.245D+00 0.919D+00 Gap= 0.065 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.94D-09 MaxDP=1.79D-07 DE= 9.09D-13 OVMax= 1.35D-06 SCF Done: E(UB+HF-LYP) = -1486.54186420 A.U. after 16 cycles Convg = 0.8937D-08 -V/T = 2.4794 S**2 = 0.7535 KE= 1.004834865886D+03 PE=-7.043749010703D+03 EE= 2.844926826726D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7535, after 0.7500 Leave Link 502 at Sun Apr 13 00:23:16 2008, MaxMem= 1258291200 cpu: 172.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 172 NBasis= 172 NAE= 74 NBE= 73 NFC= 0 NFV= 0 NROrb= 172 NOA= 74 NOB= 73 NVA= 98 NVB= 99 **** Warning!!: The largest alpha MO coefficient is 0.13485725D+02 **** Warning!!: The smallest alpha delta epsilon is 0.64872266D-01 **** Warning!!: The largest beta MO coefficient is 0.13489712D+02 Leave Link 801 at Sun Apr 13 00:23:17 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 9. Will process 10 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Sun Apr 13 00:23:24 2008, MaxMem= 1258291200 cpu: 18.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 9. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sun Apr 13 00:23:24 2008, MaxMem= 1258291200 cpu: 0.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 9. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291126. G2DrvN: will do 10 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Sun Apr 13 00:24:36 2008, MaxMem= 1258291200 cpu: 284.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: UHF wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291126 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 303287223. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. CalDSu exits because no D1Ps are significant. There are 3 degrees of freedom in the 1st order CPHF. 3 vectors were produced by pass 0. AX will form 3 AO Fock derivatives at one time. 3 vectors were produced by pass 1. 3 vectors were produced by pass 2. 3 vectors were produced by pass 3. 3 vectors were produced by pass 4. 3 vectors were produced by pass 5. 3 vectors were produced by pass 6. 3 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. 3 vectors were produced by pass 11. 3 vectors were produced by pass 12. 3 vectors were produced by pass 13. 3 vectors were produced by pass 14. 3 vectors were produced by pass 15. 3 vectors were produced by pass 16. 3 vectors were produced by pass 17. 2 vectors were produced by pass 18. 1 vectors were produced by pass 19. Inv2: IOpt= 1 Iter= 1 AM= 1.78D-15 Conv= 1.00D-12. Inverted reduced A of dimension 57 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.268372D+03 2 -0.775356D+01 0.276604D+03 3 0.215188D+00 -0.148734D-01 0.257252D+03 Isotropic polarizability for W= 0.000000 267.41 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sun Apr 13 00:26:11 2008, MaxMem= 1258291200 cpu: 337.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26422 -10.34637 -4.34516 -4.29954 -4.29720 Alpha occ. eigenvalues -- -4.29693 -4.29678 -4.29623 -4.29601 -2.85600 Alpha occ. eigenvalues -- -2.84948 -2.84885 -2.80744 -2.80739 -2.80650 Alpha occ. eigenvalues -- -2.80573 -2.80565 -2.80516 -2.80513 -2.80479 Alpha occ. eigenvalues -- -2.80436 -2.80430 -2.80345 -2.80327 -2.80321 Alpha occ. eigenvalues -- -2.80293 -2.80277 -2.80260 -2.80209 -2.80191 Alpha occ. eigenvalues -- -1.17998 -0.58177 -0.48252 -0.47599 -0.46342 Alpha occ. eigenvalues -- -0.36222 -0.33944 -0.33900 -0.32843 -0.32834 Alpha occ. eigenvalues -- -0.32512 -0.30973 -0.30936 -0.30887 -0.30877 Alpha occ. eigenvalues -- -0.30853 -0.30260 -0.29314 -0.29296 -0.29265 Alpha occ. eigenvalues -- -0.29238 -0.28091 -0.28029 -0.28019 -0.27998 Alpha occ. eigenvalues -- -0.27423 -0.27385 -0.27253 -0.26923 -0.26855 Alpha occ. eigenvalues -- -0.26811 -0.26798 -0.26675 -0.26266 -0.26233 Alpha occ. eigenvalues -- -0.26070 -0.26060 -0.26050 -0.25424 -0.25408 Alpha occ. eigenvalues -- -0.25337 -0.20809 -0.20799 -0.14889 Alpha virt. eigenvalues -- -0.08402 -0.08192 -0.08160 -0.08069 -0.07457 Alpha virt. eigenvalues -- -0.02777 -0.02319 -0.00834 -0.00556 0.00214 Alpha virt. eigenvalues -- 0.00867 0.01031 0.01953 0.03032 0.03841 Alpha virt. eigenvalues -- 0.03998 0.04310 0.04409 0.04700 0.05231 Alpha virt. eigenvalues -- 0.05241 0.06131 0.06328 0.07099 0.07236 Alpha virt. eigenvalues -- 0.07652 0.07751 0.08156 0.09093 0.09226 Alpha virt. eigenvalues -- 0.09333 0.09506 0.11144 0.14202 0.14472 Alpha virt. eigenvalues -- 0.17335 0.18565 0.18699 0.21363 0.24192 Alpha virt. eigenvalues -- 0.24531 0.24639 0.25364 0.27326 0.28523 Alpha virt. eigenvalues -- 0.30600 0.31503 0.33431 0.40322 0.41558 Alpha virt. eigenvalues -- 0.54155 0.63597 0.63609 0.65197 0.67185 Alpha virt. eigenvalues -- 0.67538 0.67940 0.68412 0.68884 0.71440 Alpha virt. eigenvalues -- 0.72869 0.74444 0.79073 0.79941 0.85147 Alpha virt. eigenvalues -- 0.85617 0.85785 0.86242 0.86686 0.87712 Alpha virt. eigenvalues -- 0.87820 0.97504 0.97568 0.98364 1.03939 Alpha virt. eigenvalues -- 1.04006 1.06047 1.09565 1.15471 1.16062 Alpha virt. eigenvalues -- 1.21865 1.24707 1.24737 1.27416 1.27725 Alpha virt. eigenvalues -- 1.32384 1.32530 1.33817 1.34231 1.34988 Alpha virt. eigenvalues -- 1.64051 1.79612 1.80463 1.81883 2.17530 Alpha virt. eigenvalues -- 2.24080 2.55485 9.40050 Beta occ. eigenvalues -- -19.26346 -10.34464 -4.34297 -4.29877 -4.29656 Beta occ. eigenvalues -- -4.29624 -4.29609 -4.29551 -4.29529 -2.85368 Beta occ. eigenvalues -- -2.84759 -2.84660 -2.80665 -2.80663 -2.80585 Beta occ. eigenvalues -- -2.80506 -2.80496 -2.80467 -2.80456 -2.80410 Beta occ. eigenvalues -- -2.80391 -2.80347 -2.80311 -2.80302 -2.80254 Beta occ. eigenvalues -- -2.80225 -2.80188 -2.80170 -2.80094 -2.80076 Beta occ. eigenvalues -- -1.17818 -0.57873 -0.47906 -0.47498 -0.45685 Beta occ. eigenvalues -- -0.35686 -0.33829 -0.33756 -0.32660 -0.32649 Beta occ. eigenvalues -- -0.32044 -0.30828 -0.30808 -0.30778 -0.30761 Beta occ. eigenvalues -- -0.30675 -0.30081 -0.29252 -0.29234 -0.29177 Beta occ. eigenvalues -- -0.29151 -0.27960 -0.27903 -0.27894 -0.27871 Beta occ. eigenvalues -- -0.27304 -0.27298 -0.26915 -0.26853 -0.26845 Beta occ. eigenvalues -- -0.26711 -0.26665 -0.26277 -0.26072 -0.26047 Beta occ. eigenvalues -- -0.26008 -0.25898 -0.25896 -0.25374 -0.25283 Beta occ. eigenvalues -- -0.25205 -0.20511 -0.20476 Beta virt. eigenvalues -- -0.10162 -0.08090 -0.08069 -0.07838 -0.07747 Beta virt. eigenvalues -- -0.07048 -0.01919 -0.01622 -0.00690 -0.00501 Beta virt. eigenvalues -- 0.00871 0.00892 0.01059 0.02227 0.03149 Beta virt. eigenvalues -- 0.03864 0.04012 0.04408 0.04655 0.04834 Beta virt. eigenvalues -- 0.05414 0.05429 0.06350 0.06570 0.07129 Beta virt. eigenvalues -- 0.07265 0.07673 0.07774 0.08838 0.09105 Beta virt. eigenvalues -- 0.09242 0.09388 0.09575 0.11118 0.14539 Beta virt. eigenvalues -- 0.14749 0.17635 0.18801 0.19011 0.21625 Beta virt. eigenvalues -- 0.24438 0.24781 0.25070 0.25886 0.27640 Beta virt. eigenvalues -- 0.28537 0.31025 0.31786 0.33824 0.40593 Beta virt. eigenvalues -- 0.41651 0.54425 0.63879 0.63907 0.65547 Beta virt. eigenvalues -- 0.67345 0.67707 0.68141 0.68539 0.68981 Beta virt. eigenvalues -- 0.71579 0.73017 0.74673 0.79446 0.80251 Beta virt. eigenvalues -- 0.85433 0.85872 0.86025 0.86611 0.86965 Beta virt. eigenvalues -- 0.87836 0.87972 0.97728 0.97787 0.98627 Beta virt. eigenvalues -- 1.04197 1.04268 1.06189 1.09985 1.15677 Beta virt. eigenvalues -- 1.16219 1.22507 1.24830 1.24870 1.27847 Beta virt. eigenvalues -- 1.28152 1.32765 1.32974 1.34043 1.34239 Beta virt. eigenvalues -- 1.35172 1.64167 1.79938 1.80503 1.81895 Beta virt. eigenvalues -- 2.17657 2.24216 2.55829 9.40205 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.060953 -0.024208 0.069345 0.075279 -0.023705 -0.077618 2 Cu -0.024208 19.031572 -0.018460 0.070870 0.073883 -0.078674 3 Cu 0.069345 -0.018460 19.016329 -0.019691 0.069323 -0.079615 4 Cu 0.075279 0.070870 -0.019691 19.037785 -0.024690 -0.077550 5 Cu -0.023705 0.073883 0.069323 -0.024690 19.062663 -0.077107 6 Cu -0.077618 -0.078674 -0.079615 -0.077550 -0.077107 19.234251 7 Cu -0.035206 -0.043357 -0.051274 -0.042067 -0.034942 -0.097737 8 C 0.013638 0.009205 0.010122 0.009380 0.014580 0.146730 9 O -0.009364 -0.002328 0.001445 -0.003587 -0.009876 0.034275 7 8 9 1 Cu -0.035206 0.013638 -0.009364 2 Cu -0.043357 0.009205 -0.002328 3 Cu -0.051274 0.010122 0.001445 4 Cu -0.042067 0.009380 -0.003587 5 Cu -0.034942 0.014580 -0.009876 6 Cu -0.097737 0.146730 0.034275 7 Cu 19.259538 0.002646 -0.001687 8 C 0.002646 5.113532 0.553197 9 O -0.001687 0.553197 7.541026 Mulliken atomic charges: 1 1 Cu -0.049115 2 Cu -0.018503 3 Cu 0.002475 4 Cu -0.025727 5 Cu -0.050129 6 Cu 0.073045 7 Cu 0.044086 8 C 0.126969 9 O -0.103101 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.049115 2 Cu -0.018503 3 Cu 0.002475 4 Cu -0.025727 5 Cu -0.050129 6 Cu 0.073045 7 Cu 0.044086 8 C 0.126969 9 O -0.103101 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.033113 -0.003254 0.004671 0.006097 -0.002769 0.009295 2 Cu -0.003254 0.022727 -0.004542 0.005117 0.005829 0.009489 3 Cu 0.004671 -0.004542 0.017050 -0.004416 0.004706 0.007467 4 Cu 0.006097 0.005117 -0.004416 0.025037 -0.002982 0.010281 5 Cu -0.002769 0.005829 0.004706 -0.002982 0.033694 0.008588 6 Cu 0.009295 0.009489 0.007467 0.010281 0.008588 0.179006 7 Cu 0.032374 0.019763 0.012333 0.021543 0.033924 -0.060295 8 C -0.001472 -0.002451 -0.000498 -0.002831 -0.000947 -0.009796 9 O -0.000212 0.000060 -0.000234 0.000111 -0.000329 -0.000444 7 8 9 1 Cu 0.032374 -0.001472 -0.000212 2 Cu 0.019763 -0.002451 0.000060 3 Cu 0.012333 -0.000498 -0.000234 4 Cu 0.021543 -0.002831 0.000111 5 Cu 0.033924 -0.000947 -0.000329 6 Cu -0.060295 -0.009796 -0.000444 7 Cu 0.386384 -0.001989 0.000141 8 C -0.001989 0.124221 -0.022177 9 O 0.000141 -0.022177 0.038466 Mulliken atomic spin densities: 1 1 Cu 0.077842 2 Cu 0.052739 3 Cu 0.036536 4 Cu 0.057957 5 Cu 0.079714 6 Cu 0.153591 7 Cu 0.444178 8 C 0.082061 9 O 0.015382 Sum of Mulliken spin densities= 1.00000 APT atomic charges: 1 1 Cu -0.007057 2 Cu 0.010204 3 Cu 0.014737 4 Cu 0.006736 5 Cu -0.009865 6 Cu -0.100781 7 Cu -0.064899 8 C 1.140804 9 O -0.989879 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.007057 2 Cu 0.010204 3 Cu 0.014737 4 Cu 0.006736 5 Cu -0.009865 6 Cu -0.100781 7 Cu -0.064899 8 C 1.140804 9 O -0.989879 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 2869.2682 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0099 Y= 0.0056 Z= -1.6890 Tot= 1.6890 Quadrupole moment (field-independent basis, Debye-Ang): XX= -100.8406 YY= -105.4973 ZZ= -103.4029 XY= 4.8092 XZ= 3.8610 YZ= -6.1282 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.4063 YY= -2.2503 ZZ= -0.1560 XY= 4.8092 XZ= 3.8610 YZ= -6.1282 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 62.8262 YYY= -99.0598 ZZZ= -78.4585 XYY= 20.0176 XXY= -33.1510 XXZ= -26.3119 XZZ= 25.8124 YZZ= -41.2540 YYZ= -29.6872 XYZ= 3.7335 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1126.1577 YYYY= -1414.9534 ZZZZ= -1070.1040 XXXY= 134.8812 XXXZ= 68.8606 YYYX= 155.6388 YYYZ= -124.1617 ZZZX= 63.5735 ZZZY= -103.4219 XXYY= -434.2395 XXZZ= -367.8102 YYZZ= -410.2660 XXYZ= -42.0336 YYXZ= 34.4426 ZZXY= 43.2230 N-N= 1.707445453895D+03 E-N=-7.043748996608D+03 KE= 1.004834865886D+03 Exact polarizability: 268.372 -7.754 276.604 0.215 -0.015 257.252 Approx polarizability: 627.075 1.445 628.253 22.776 -35.053 579.549 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00059 0.00021 0.00020 2 Cu(63) 0.00000 0.00043 0.00015 0.00014 3 Cu(63) 0.00000 0.00036 0.00013 0.00012 4 Cu(63) 0.00000 0.00045 0.00016 0.00015 5 Cu(63) 0.00000 0.00060 0.00021 0.00020 6 Cu(63) 0.00000 0.00049 0.00017 0.00016 7 Cu(63) 0.00001 0.01060 0.00378 0.00353 8 C(13) 0.08913 100.19425 35.75180 33.42121 9 O(17) 0.01276 -7.73684 -2.76069 -2.58073 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.042703 0.040470 0.002233 2 Atom 0.037494 -0.019696 -0.017798 3 Atom -0.040870 0.011803 0.029067 4 Atom 0.009105 0.021068 -0.030173 5 Atom 0.001170 -0.025123 0.023953 6 Atom -0.009417 -0.011493 0.020910 7 Atom 0.025221 -0.018341 -0.006880 8 Atom -0.024175 0.002559 0.021617 9 Atom -0.059656 -0.015201 0.074856 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.001267 -0.058701 -0.005850 2 Atom -0.006107 0.010514 0.049591 3 Atom -0.037964 -0.005178 -0.009234 4 Atom 0.024868 -0.041209 0.029132 5 Atom -0.050341 0.033195 0.033693 6 Atom 0.002899 0.003414 -0.007377 7 Atom 0.045608 0.041091 -0.064251 8 Atom -0.021504 0.039115 -0.067208 9 Atom -0.036985 0.052155 -0.093382 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0831 -11.770 -4.200 -3.926 0.8233 0.0184 0.5674 1 Cu(63) Bbb 0.0359 5.087 1.815 1.697 -0.3735 0.7702 0.5169 Bcc 0.0472 6.683 2.385 2.229 -0.4275 -0.6375 0.6410 Baa -0.0696 -9.858 -3.518 -3.288 0.1089 0.7071 -0.6986 2 Cu(63) Bbb 0.0297 4.207 1.501 1.403 -0.3316 0.6884 0.6451 Bcc 0.0399 5.651 2.016 1.885 0.9371 0.1614 0.3094 Baa -0.0616 -8.723 -3.112 -2.910 0.8789 0.4668 0.0977 3 Cu(63) Bbb 0.0250 3.538 1.262 1.180 -0.3715 0.5416 0.7541 Bcc 0.0366 5.185 1.850 1.730 -0.2991 0.6991 -0.6494 Baa -0.0717 -10.154 -3.623 -3.387 0.5102 -0.3791 0.7720 4 Cu(63) Bbb 0.0307 4.352 1.553 1.452 -0.4974 0.6021 0.6245 Bcc 0.0410 5.802 2.070 1.935 0.7016 0.7026 -0.1187 Baa -0.0844 -11.950 -4.264 -3.986 0.5749 0.7147 -0.3984 5 Cu(63) Bbb 0.0366 5.180 1.848 1.728 -0.5116 0.6940 0.5067 Bcc 0.0478 6.770 2.416 2.258 0.6385 -0.0875 0.7646 Baa -0.0153 -2.168 -0.774 -0.723 -0.5290 0.8204 0.2170 6 Cu(63) Bbb -0.0074 -1.052 -0.375 -0.351 0.8443 0.5345 0.0374 Bcc 0.0227 3.220 1.149 1.074 0.0853 -0.2030 0.9755 Baa -0.1059 -14.988 -5.348 -5.000 -0.4241 0.6691 0.6103 7 Cu(63) Bbb 0.0518 7.336 2.618 2.447 0.1732 -0.6016 0.7798 Bcc 0.0541 7.653 2.731 2.553 0.8889 0.4364 0.1392 Baa -0.0598 -8.026 -2.864 -2.677 -0.3900 0.6094 0.6903 8 C(13) Bbb -0.0361 -4.843 -1.728 -1.615 0.8546 0.5187 0.0249 Bcc 0.0959 12.869 4.592 4.293 0.3429 -0.5996 0.7231 Baa -0.0806 5.832 2.081 1.945 0.8541 0.5195 0.0255 9 O(17) Bbb -0.0721 5.217 1.862 1.740 -0.4331 0.6832 0.5879 Bcc 0.1527 -11.049 -3.943 -3.686 0.2880 -0.5131 0.8086 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sun Apr 13 00:26:12 2008, MaxMem= 1258291200 cpu: 2.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 3.87650979D-03 2.21623795D-03-6.64494939D-01 Polarizability= 2.68371520D+02-7.75356224D+00 2.76604100D+02 2.15188341D-01-1.48734372D-02 2.57251505D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000088465 0.000036473 0.000207164 2 29 -0.000217724 0.000109972 -0.000163018 3 29 -0.000130237 0.000173516 -0.000140853 4 29 0.000061577 0.000147729 -0.000084770 5 29 -0.000116382 -0.000030223 0.000133201 6 29 -0.000067543 0.000221399 0.000092165 7 29 0.000152607 -0.000287932 0.000016956 8 6 0.001468569 -0.002443724 -0.000031108 9 8 -0.001239332 0.002072789 -0.000029737 ------------------------------------------------------------------- Cartesian Forces: Max 0.002443724 RMS 0.000730331 Leave Link 716 at Sun Apr 13 00:26:12 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=3 IStep= 1. Leave Link 106 at Sun Apr 13 00:26:13 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0000 0.0000 -0.0019 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1707.3273877824 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sun Apr 13 00:26:13 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 551 NPtTot= 95194 NUsed= 99088 NTot= 99120 NSgBfM= 186 186 186 186. Leave Link 302 at Sun Apr 13 00:26:16 2008, MaxMem= 1258291200 cpu: 7.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 1707.2093216697 hartrees. Leave Link 303 at Sun Apr 13 00:26:16 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. of initial guess= 0.7536 Leave Link 401 at Sun Apr 13 00:26:16 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 99087 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306793046. IEnd= 239252 IEndB= 239252 NGot=1258291200 MDV= 955639085 LenX= 955639085 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1486.54072511793 DIIS: error= 1.24D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1486.54072511793 IErMin= 1 ErrMin= 1.24D-03 ErrMax= 1.24D-03 EMaxC= 1.00D-01 BMatC= 3.45D-04 BMatP= 3.45D-04 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.24D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 GapD= 0.059 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.28D-04 MaxDP=7.03D-03 OVMax= 4.07D-02 Cycle 2 Pass 1 IDiag 1: E= -1486.54079155079 Delta-E= -0.000066432854 Rises=F Damp=T DIIS: error= 5.27D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1486.54079155079 IErMin= 2 ErrMin= 5.27D-04 ErrMax= 5.27D-04 EMaxC= 1.00D-01 BMatC= 2.83D-04 BMatP= 3.45D-04 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.27D-03 Coeff-Com: 0.466D+00 0.534D+00 Coeff-En: 0.426D+00 0.574D+00 Coeff: 0.465D+00 0.535D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.11D-04 MaxDP=3.43D-03 DE=-6.64D-05 OVMax= 1.80D-02 Cycle 3 Pass 1 IDiag 1: E= -1486.54111947268 Delta-E= -0.000327921895 Rises=F Damp=F DIIS: error= 4.89D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1486.54111947268 IErMin= 3 ErrMin= 4.89D-04 ErrMax= 4.89D-04 EMaxC= 1.00D-01 BMatC= 2.10D-04 BMatP= 2.83D-04 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.89D-03 Coeff-Com: 0.299D+00 0.335D+00 0.365D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.298D+00 0.334D+00 0.368D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=6.01D-05 MaxDP=9.04D-04 DE=-3.28D-04 OVMax= 3.23D-03 Cycle 4 Pass 1 IDiag 1: E= -1486.54117701678 Delta-E= -0.000057544100 Rises=F Damp=F DIIS: error= 8.01D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1486.54117701678 IErMin= 4 ErrMin= 8.01D-05 ErrMax= 8.01D-05 EMaxC= 1.00D-01 BMatC= 5.31D-06 BMatP= 2.10D-04 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.823D-01 0.734D-02 0.911D-01 0.819D+00 Coeff: 0.823D-01 0.734D-02 0.911D-01 0.819D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.77D-05 MaxDP=5.93D-04 DE=-5.75D-05 OVMax= 2.12D-03 Cycle 5 Pass 1 IDiag 1: E= -1486.54117918936 Delta-E= -0.000002172576 Rises=F Damp=F DIIS: error= 5.72D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1486.54117918936 IErMin= 5 ErrMin= 5.72D-05 ErrMax= 5.72D-05 EMaxC= 1.00D-01 BMatC= 3.03D-06 BMatP= 5.31D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.289D-01-0.206D-01 0.902D-02 0.502D+00 0.481D+00 Coeff: 0.289D-01-0.206D-01 0.902D-02 0.502D+00 0.481D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.18D-05 MaxDP=2.09D-04 DE=-2.17D-06 OVMax= 8.68D-04 Cycle 6 Pass 1 IDiag 1: E= -1486.54117999339 Delta-E= -0.000000804032 Rises=F Damp=F DIIS: error= 3.57D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1486.54117999339 IErMin= 6 ErrMin= 3.57D-05 ErrMax= 3.57D-05 EMaxC= 1.00D-01 BMatC= 1.05D-06 BMatP= 3.03D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.437D-02-0.147D-01-0.177D-01 0.163D+00 0.390D+00 0.475D+00 Coeff: 0.437D-02-0.147D-01-0.177D-01 0.163D+00 0.390D+00 0.475D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=5.21D-06 MaxDP=1.02D-04 DE=-8.04D-07 OVMax= 5.32D-04 Cycle 7 Pass 1 IDiag 1: E= -1486.54118022153 Delta-E= -0.000000228138 Rises=F Damp=F DIIS: error= 1.61D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1486.54118022153 IErMin= 7 ErrMin= 1.61D-05 ErrMax= 1.61D-05 EMaxC= 1.00D-01 BMatC= 2.70D-07 BMatP= 1.05D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.234D-02-0.807D-02-0.157D-01 0.194D-01 0.210D+00 0.357D+00 Coeff-Com: 0.440D+00 Coeff: -0.234D-02-0.807D-02-0.157D-01 0.194D-01 0.210D+00 0.357D+00 Coeff: 0.440D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=3.38D-06 MaxDP=9.85D-05 DE=-2.28D-07 OVMax= 4.42D-04 Cycle 8 Pass 1 IDiag 1: E= -1486.54118030199 Delta-E= -0.000000080463 Rises=F Damp=F DIIS: error= 8.63D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1486.54118030199 IErMin= 8 ErrMin= 8.63D-06 ErrMax= 8.63D-06 EMaxC= 1.00D-01 BMatC= 8.10D-08 BMatP= 2.70D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.171D-02-0.173D-02-0.563D-02-0.254D-01 0.537D-01 0.142D+00 Coeff-Com: 0.369D+00 0.470D+00 Coeff: -0.171D-02-0.173D-02-0.563D-02-0.254D-01 0.537D-01 0.142D+00 Coeff: 0.369D+00 0.470D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.87D-06 MaxDP=6.93D-05 DE=-8.05D-08 OVMax= 2.48D-04 Cycle 9 Pass 1 IDiag 1: E= -1486.54118032727 Delta-E= -0.000000025274 Rises=F Damp=F DIIS: error= 4.54D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1486.54118032727 IErMin= 9 ErrMin= 4.54D-06 ErrMax= 4.54D-06 EMaxC= 1.00D-01 BMatC= 1.54D-08 BMatP= 8.10D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.210D-03 0.153D-02 0.317D-02-0.254D-01-0.704D-01-0.484D-01 Coeff-Com: 0.104D+00 0.361D+00 0.674D+00 Coeff: -0.210D-03 0.153D-02 0.317D-02-0.254D-01-0.704D-01-0.484D-01 Coeff: 0.104D+00 0.361D+00 0.674D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.45D-06 MaxDP=3.24D-05 DE=-2.53D-08 OVMax= 1.99D-04 Cycle 10 Pass 1 IDiag 1: E= -1486.54118033890 Delta-E= -0.000000011633 Rises=F Damp=F DIIS: error= 2.10D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1486.54118033890 IErMin=10 ErrMin= 2.10D-06 ErrMax= 2.10D-06 EMaxC= 1.00D-01 BMatC= 3.02D-09 BMatP= 1.54D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.404D-03 0.127D-02 0.367D-02-0.995D-02-0.656D-01-0.568D-01 Coeff-Com: -0.302D-01 0.128D+00 0.318D+00 0.712D+00 Coeff: 0.404D-03 0.127D-02 0.367D-02-0.995D-02-0.656D-01-0.568D-01 Coeff: -0.302D-01 0.128D+00 0.318D+00 0.712D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=8.09D-07 MaxDP=2.16D-05 DE=-1.16D-08 OVMax= 1.26D-04 Cycle 11 Pass 1 IDiag 1: E= -1486.54118034142 Delta-E= -0.000000002515 Rises=F Damp=F DIIS: error= 1.25D-06 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1486.54118034142 IErMin=11 ErrMin= 1.25D-06 ErrMax= 1.25D-06 EMaxC= 1.00D-01 BMatC= 8.33D-10 BMatP= 3.02D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.291D-03 0.667D-03 0.186D-02-0.269D-02-0.348D-01-0.306D-01 Coeff-Com: -0.311D-01 0.342D-01 0.975D-01 0.468D+00 0.497D+00 Coeff: 0.291D-03 0.667D-03 0.186D-02-0.269D-02-0.348D-01-0.306D-01 Coeff: -0.311D-01 0.342D-01 0.975D-01 0.468D+00 0.497D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.55D-07 MaxDP=4.36D-06 DE=-2.52D-09 OVMax= 2.13D-05 Cycle 12 Pass 1 IDiag 1: E= -1486.54118034189 Delta-E= -0.000000000479 Rises=F Damp=F DIIS: error= 7.41D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1486.54118034189 IErMin=12 ErrMin= 7.41D-07 ErrMax= 7.41D-07 EMaxC= 1.00D-01 BMatC= 4.69D-10 BMatP= 8.33D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.706D-04-0.128D-03-0.444D-03 0.375D-02 0.490D-02 0.690D-02 Coeff-Com: -0.537D-02-0.426D-01-0.125D+00 0.845D-01 0.477D+00 0.596D+00 Coeff: 0.706D-04-0.128D-03-0.444D-03 0.375D-02 0.490D-02 0.690D-02 Coeff: -0.537D-02-0.426D-01-0.125D+00 0.845D-01 0.477D+00 0.596D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.16D-07 MaxDP=6.54D-06 DE=-4.79D-10 OVMax= 3.25D-05 Cycle 13 Pass 1 IDiag 1: E= -1486.54118034208 Delta-E= -0.000000000186 Rises=F Damp=F DIIS: error= 1.88D-07 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1486.54118034208 IErMin=13 ErrMin= 1.88D-07 ErrMax= 1.88D-07 EMaxC= 1.00D-01 BMatC= 3.05D-11 BMatP= 4.69D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.196D-05-0.134D-03-0.401D-03 0.202D-02 0.584D-02 0.587D-02 Coeff-Com: 0.132D-02-0.232D-01-0.710D-01-0.142D-01 0.174D+00 0.322D+00 Coeff-Com: 0.599D+00 Coeff: 0.196D-05-0.134D-03-0.401D-03 0.202D-02 0.584D-02 0.587D-02 Coeff: 0.132D-02-0.232D-01-0.710D-01-0.142D-01 0.174D+00 0.322D+00 Coeff: 0.599D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=6.50D-08 MaxDP=1.61D-06 DE=-1.86D-10 OVMax= 8.36D-06 Cycle 14 Pass 1 IDiag 1: E= -1486.54118034210 Delta-E= -0.000000000020 Rises=F Damp=F DIIS: error= 2.17D-07 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1486.54118034210 IErMin=13 ErrMin= 1.88D-07 ErrMax= 2.17D-07 EMaxC= 1.00D-01 BMatC= 2.07D-11 BMatP= 3.05D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.305D-04-0.602D-04-0.135D-03-0.157D-03 0.272D-02 0.226D-02 Coeff-Com: 0.480D-02 0.784D-03-0.502D-02-0.473D-01-0.812D-01 0.308D-03 Coeff-Com: 0.558D+00 0.566D+00 Coeff: -0.305D-04-0.602D-04-0.135D-03-0.157D-03 0.272D-02 0.226D-02 Coeff: 0.480D-02 0.784D-03-0.502D-02-0.473D-01-0.812D-01 0.308D-03 Coeff: 0.558D+00 0.566D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=4.95D-08 MaxDP=1.39D-06 DE=-2.00D-11 OVMax= 9.70D-06 Cycle 15 Pass 1 IDiag 1: E= -1486.54118034212 Delta-E= -0.000000000015 Rises=F Damp=F DIIS: error= 6.46D-08 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1486.54118034212 IErMin=15 ErrMin= 6.46D-08 ErrMax= 6.46D-08 EMaxC= 1.00D-01 BMatC= 2.22D-12 BMatP= 2.07D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.135D-04-0.119D-04-0.167D-06-0.302D-03-0.378D-04 0.226D-03 Coeff-Com: 0.224D-02 0.379D-02 0.647D-02-0.146D-01-0.584D-01-0.501D-01 Coeff-Com: 0.634D-01 0.229D+00 0.818D+00 Coeff: -0.135D-04-0.119D-04-0.167D-06-0.302D-03-0.378D-04 0.226D-03 Coeff: 0.224D-02 0.379D-02 0.647D-02-0.146D-01-0.584D-01-0.501D-01 Coeff: 0.634D-01 0.229D+00 0.818D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.45D-08 MaxDP=7.94D-07 DE=-1.50D-11 OVMax= 3.81D-06 Cycle 16 Pass 1 IDiag 1: E= -1486.54118034212 Delta-E= -0.000000000003 Rises=F Damp=F DIIS: error= 2.44D-08 at cycle 16 NSaved= 16. NSaved=16 IEnMin=16 EnMin= -1486.54118034212 IErMin=16 ErrMin= 2.44D-08 ErrMax= 2.44D-08 EMaxC= 1.00D-01 BMatC= 4.26D-13 BMatP= 2.22D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.559D-05 0.843D-05 0.366D-04-0.650D-04-0.763D-03-0.327D-03 Coeff-Com: -0.390D-03 0.140D-02 0.217D-02 0.661D-02-0.518D-02-0.912D-02 Coeff-Com: -0.113D+00-0.212D-01 0.242D+00 0.898D+00 Coeff: 0.559D-05 0.843D-05 0.366D-04-0.650D-04-0.763D-03-0.327D-03 Coeff: -0.390D-03 0.140D-02 0.217D-02 0.661D-02-0.518D-02-0.912D-02 Coeff: -0.113D+00-0.212D-01 0.242D+00 0.898D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.11D-08 MaxDP=2.25D-07 DE=-2.73D-12 OVMax= 1.63D-06 Cycle 17 Pass 1 IDiag 1: E= -1486.54118034212 Delta-E= -0.000000000003 Rises=F Damp=F DIIS: error= 4.68D-09 at cycle 17 NSaved= 17. NSaved=17 IEnMin=17 EnMin= -1486.54118034212 IErMin=17 ErrMin= 4.68D-09 ErrMax= 4.68D-09 EMaxC= 1.00D-01 BMatC= 2.04D-14 BMatP= 4.26D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.135D-05 0.743D-06 0.114D-05 0.164D-04-0.493D-04-0.667D-04 Coeff-Com: -0.131D-03-0.220D-03-0.392D-03 0.188D-02 0.465D-02 0.251D-02 Coeff-Com: -0.110D-01-0.266D-01-0.399D-01 0.106D+00 0.963D+00 Coeff: 0.135D-05 0.743D-06 0.114D-05 0.164D-04-0.493D-04-0.667D-04 Coeff: -0.131D-03-0.220D-03-0.392D-03 0.188D-02 0.465D-02 0.251D-02 Coeff: -0.110D-01-0.266D-01-0.399D-01 0.106D+00 0.963D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.10D-09 MaxDP=5.72D-08 DE=-3.18D-12 OVMax= 3.14D-07 SCF Done: E(UB+HF-LYP) = -1486.54118034 A.U. after 17 cycles Convg = 0.2098D-08 -V/T = 2.4794 S**2 = 0.7537 KE= 1.004851419499D+03 PE=-7.043557321800D+03 EE= 2.844955400289D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7537, after 0.7500 Leave Link 502 at Sun Apr 13 00:27:12 2008, MaxMem= 1258291200 cpu: 184.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 172 NBasis= 172 NAE= 74 NBE= 73 NFC= 0 NFV= 0 NROrb= 172 NOA= 74 NOB= 73 NVA= 98 NVB= 99 **** Warning!!: The largest alpha MO coefficient is 0.12457365D+02 **** Warning!!: The smallest alpha delta epsilon is 0.61790841D-01 **** Warning!!: The largest beta MO coefficient is 0.12456592D+02 Leave Link 801 at Sun Apr 13 00:27:13 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 9. Will process 10 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2189 LenP2D= 9483. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Sun Apr 13 00:27:18 2008, MaxMem= 1258291200 cpu: 19.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 9. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sun Apr 13 00:27:18 2008, MaxMem= 1258291200 cpu: 1.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 9. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291126. G2DrvN: will do 10 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Sun Apr 13 00:28:33 2008, MaxMem= 1258291200 cpu: 288.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: UHF wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291126 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 303287223. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. CalDSu exits because no D1Ps are significant. There are 3 degrees of freedom in the 1st order CPHF. 3 vectors were produced by pass 0. AX will form 3 AO Fock derivatives at one time. 3 vectors were produced by pass 1. 3 vectors were produced by pass 2. 3 vectors were produced by pass 3. 3 vectors were produced by pass 4. 3 vectors were produced by pass 5. 3 vectors were produced by pass 6. 3 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. 3 vectors were produced by pass 11. 3 vectors were produced by pass 12. 3 vectors were produced by pass 13. 3 vectors were produced by pass 14. 3 vectors were produced by pass 15. 3 vectors were produced by pass 16. 3 vectors were produced by pass 17. 1 vectors were produced by pass 18. 1 vectors were produced by pass 19. Inv2: IOpt= 1 Iter= 1 AM= 1.40D-15 Conv= 1.00D-12. Inverted reduced A of dimension 56 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.268401D+03 2 -0.949472D+01 0.278329D+03 3 0.466413D+00 -0.435997D+00 0.254860D+03 Isotropic polarizability for W= 0.000000 267.20 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sun Apr 13 00:30:02 2008, MaxMem= 1258291200 cpu: 319.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26364 -10.34554 -4.34423 -4.29685 -4.29534 Alpha occ. eigenvalues -- -4.29494 -4.29475 -4.29392 -4.29369 -2.85516 Alpha occ. eigenvalues -- -2.84847 -2.84783 -2.80493 -2.80489 -2.80437 Alpha occ. eigenvalues -- -2.80364 -2.80354 -2.80302 -2.80286 -2.80229 Alpha occ. eigenvalues -- -2.80223 -2.80207 -2.80140 -2.80126 -2.80111 Alpha occ. eigenvalues -- -2.80089 -2.80070 -2.80042 -2.79983 -2.79964 Alpha occ. eigenvalues -- -1.18028 -0.58282 -0.48300 -0.47687 -0.46427 Alpha occ. eigenvalues -- -0.36012 -0.33799 -0.33767 -0.32707 -0.32699 Alpha occ. eigenvalues -- -0.32380 -0.30741 -0.30726 -0.30682 -0.30656 Alpha occ. eigenvalues -- -0.30640 -0.30055 -0.29110 -0.29090 -0.29059 Alpha occ. eigenvalues -- -0.29024 -0.27873 -0.27829 -0.27821 -0.27785 Alpha occ. eigenvalues -- -0.27233 -0.27179 -0.27057 -0.26727 -0.26628 Alpha occ. eigenvalues -- -0.26600 -0.26585 -0.26427 -0.26062 -0.26004 Alpha occ. eigenvalues -- -0.25853 -0.25827 -0.25824 -0.25209 -0.25197 Alpha occ. eigenvalues -- -0.25114 -0.20601 -0.20597 -0.14569 Alpha virt. eigenvalues -- -0.08390 -0.08107 -0.07976 -0.07869 -0.07343 Alpha virt. eigenvalues -- -0.02541 -0.02156 -0.00389 -0.00218 0.00309 Alpha virt. eigenvalues -- 0.01094 0.01276 0.02127 0.03491 0.03979 Alpha virt. eigenvalues -- 0.04193 0.04405 0.04657 0.04915 0.05170 Alpha virt. eigenvalues -- 0.05238 0.06698 0.06749 0.07278 0.07466 Alpha virt. eigenvalues -- 0.07803 0.07986 0.08923 0.09394 0.09476 Alpha virt. eigenvalues -- 0.09779 0.10163 0.11429 0.14438 0.14759 Alpha virt. eigenvalues -- 0.17225 0.18624 0.18981 0.21085 0.24512 Alpha virt. eigenvalues -- 0.24602 0.25060 0.25809 0.27640 0.28754 Alpha virt. eigenvalues -- 0.30715 0.31696 0.33743 0.39841 0.41186 Alpha virt. eigenvalues -- 0.54002 0.63796 0.63814 0.65180 0.67319 Alpha virt. eigenvalues -- 0.67725 0.68079 0.68555 0.68745 0.71591 Alpha virt. eigenvalues -- 0.72954 0.74535 0.79151 0.79984 0.85121 Alpha virt. eigenvalues -- 0.85782 0.86044 0.86505 0.86826 0.87895 Alpha virt. eigenvalues -- 0.88007 0.97710 0.97792 0.98604 1.04108 Alpha virt. eigenvalues -- 1.04253 1.06262 1.09744 1.15664 1.16264 Alpha virt. eigenvalues -- 1.22066 1.24892 1.24958 1.27581 1.27992 Alpha virt. eigenvalues -- 1.32654 1.32814 1.34016 1.34444 1.35170 Alpha virt. eigenvalues -- 1.63957 1.79985 1.80483 1.82272 2.17812 Alpha virt. eigenvalues -- 2.24256 2.56167 9.39815 Beta occ. eigenvalues -- -19.26273 -10.34366 -4.34207 -4.29601 -4.29473 Beta occ. eigenvalues -- -4.29428 -4.29407 -4.29319 -4.29295 -2.85291 Beta occ. eigenvalues -- -2.84662 -2.84559 -2.80410 -2.80402 -2.80356 Beta occ. eigenvalues -- -2.80303 -2.80285 -2.80251 -2.80230 -2.80196 Beta occ. eigenvalues -- -2.80169 -2.80142 -2.80091 -2.80077 -2.80035 Beta occ. eigenvalues -- -2.80034 -2.79987 -2.79966 -2.79867 -2.79846 Beta occ. eigenvalues -- -1.17816 -0.57940 -0.47880 -0.47569 -0.45722 Beta occ. eigenvalues -- -0.35478 -0.33689 -0.33619 -0.32524 -0.32515 Beta occ. eigenvalues -- -0.31911 -0.30612 -0.30594 -0.30554 -0.30546 Beta occ. eigenvalues -- -0.30456 -0.29871 -0.29045 -0.29026 -0.28973 Beta occ. eigenvalues -- -0.28937 -0.27741 -0.27704 -0.27698 -0.27660 Beta occ. eigenvalues -- -0.27104 -0.27094 -0.26721 -0.26668 -0.26619 Beta occ. eigenvalues -- -0.26502 -0.26455 -0.26034 -0.25875 -0.25836 Beta occ. eigenvalues -- -0.25780 -0.25663 -0.25660 -0.25164 -0.25065 Beta occ. eigenvalues -- -0.24977 -0.20300 -0.20266 Beta virt. eigenvalues -- -0.09865 -0.07912 -0.07877 -0.07655 -0.07602 Beta virt. eigenvalues -- -0.07044 -0.01689 -0.01493 -0.00248 -0.00117 Beta virt. eigenvalues -- 0.00804 0.01127 0.01304 0.02487 0.03628 Beta virt. eigenvalues -- 0.04039 0.04242 0.04699 0.04749 0.05047 Beta virt. eigenvalues -- 0.05371 0.05405 0.06897 0.06929 0.07309 Beta virt. eigenvalues -- 0.07486 0.07808 0.08004 0.09408 0.09456 Beta virt. eigenvalues -- 0.09498 0.09867 0.10358 0.11405 0.14734 Beta virt. eigenvalues -- 0.15085 0.17537 0.18833 0.19283 0.21377 Beta virt. eigenvalues -- 0.24748 0.24905 0.25442 0.26316 0.27942 Beta virt. eigenvalues -- 0.28772 0.31141 0.31983 0.34140 0.40157 Beta virt. eigenvalues -- 0.41286 0.54281 0.64091 0.64105 0.65530 Beta virt. eigenvalues -- 0.67477 0.67898 0.68282 0.68676 0.68864 Beta virt. eigenvalues -- 0.71736 0.73104 0.74771 0.79531 0.80302 Beta virt. eigenvalues -- 0.85437 0.86030 0.86292 0.86862 0.87125 Beta virt. eigenvalues -- 0.88021 0.88157 0.97935 0.98015 0.98869 Beta virt. eigenvalues -- 1.04372 1.04515 1.06407 1.10164 1.15871 Beta virt. eigenvalues -- 1.16420 1.22695 1.25029 1.25078 1.28018 Beta virt. eigenvalues -- 1.28422 1.33022 1.33254 1.34249 1.34452 Beta virt. eigenvalues -- 1.35349 1.64084 1.80282 1.80551 1.82284 Beta virt. eigenvalues -- 2.17941 2.24394 2.56495 9.39973 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.024901 -0.021370 0.069835 0.072630 -0.018056 -0.077632 2 Cu -0.021370 19.049793 -0.021158 0.072007 0.071693 -0.078852 3 Cu 0.069835 -0.021158 19.059738 -0.021519 0.069392 -0.082309 4 Cu 0.072630 0.072007 -0.021519 19.044920 -0.020897 -0.077001 5 Cu -0.018056 0.071693 0.069392 -0.020897 19.019546 -0.077710 6 Cu -0.077632 -0.078852 -0.082309 -0.077001 -0.077710 19.235577 7 Cu -0.036704 -0.040008 -0.045013 -0.040117 -0.036752 -0.103166 8 C 0.013665 0.008332 0.009295 0.008585 0.014736 0.153511 9 O -0.009433 -0.002454 0.001252 -0.003681 -0.009945 0.034278 7 8 9 1 Cu -0.036704 0.013665 -0.009433 2 Cu -0.040008 0.008332 -0.002454 3 Cu -0.045013 0.009295 0.001252 4 Cu -0.040117 0.008585 -0.003681 5 Cu -0.036752 0.014736 -0.009945 6 Cu -0.103166 0.153511 0.034278 7 Cu 19.232571 0.003457 -0.001872 8 C 0.003457 5.125190 0.548081 9 O -0.001872 0.548081 7.557558 Mulliken atomic charges: 1 1 Cu -0.017838 2 Cu -0.037982 3 Cu -0.039513 4 Cu -0.034927 5 Cu -0.012008 6 Cu 0.073303 7 Cu 0.067602 8 C 0.115148 9 O -0.113785 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.017838 2 Cu -0.037982 3 Cu -0.039513 4 Cu -0.034927 5 Cu -0.012008 6 Cu 0.073303 7 Cu 0.067602 8 C 0.115148 9 O -0.113785 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.029821 -0.002487 0.005319 0.006164 -0.003667 0.009353 2 Cu -0.002487 0.027284 -0.002811 0.005905 0.005971 0.011937 3 Cu 0.005319 -0.002811 0.023874 -0.002710 0.005280 0.009947 4 Cu 0.006164 0.005905 -0.002710 0.028344 -0.002667 0.012524 5 Cu -0.003667 0.005971 0.005280 -0.002667 0.029177 0.008085 6 Cu 0.009353 0.011937 0.009947 0.012524 0.008085 0.175171 7 Cu 0.028562 0.018504 0.012122 0.019553 0.029839 -0.066871 8 C -0.000771 -0.003265 -0.001580 -0.003418 -0.000065 -0.009606 9 O -0.000242 0.000148 -0.000133 0.000177 -0.000356 -0.000579 7 8 9 1 Cu 0.028562 -0.000771 -0.000242 2 Cu 0.018504 -0.003265 0.000148 3 Cu 0.012122 -0.001580 -0.000133 4 Cu 0.019553 -0.003418 0.000177 5 Cu 0.029839 -0.000065 -0.000356 6 Cu -0.066871 -0.009606 -0.000579 7 Cu 0.377523 -0.000955 0.000049 8 C -0.000955 0.141691 -0.027611 9 O 0.000049 -0.027611 0.047818 Mulliken atomic spin densities: 1 1 Cu 0.072053 2 Cu 0.061186 3 Cu 0.049309 4 Cu 0.063872 5 Cu 0.071598 6 Cu 0.149961 7 Cu 0.418327 8 C 0.094421 9 O 0.019273 Sum of Mulliken spin densities= 1.00000 APT atomic charges: 1 1 Cu 0.026822 2 Cu -0.004166 3 Cu -0.026536 4 Cu 0.003058 5 Cu 0.029822 6 Cu -0.097649 7 Cu -0.063740 8 C 1.224141 9 O -1.091752 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.026822 2 Cu -0.004166 3 Cu -0.026536 4 Cu 0.003058 5 Cu 0.029822 6 Cu -0.097649 7 Cu -0.063740 8 C 1.224141 9 O -1.091752 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 2868.3637 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0130 Y= 0.0036 Z= 0.7654 Tot= 0.7655 Quadrupole moment (field-independent basis, Debye-Ang): XX= -100.9428 YY= -106.0285 ZZ= -101.5529 XY= 5.2493 XZ= 3.1103 YZ= -4.9178 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.8986 YY= -3.1871 ZZ= 1.2885 XY= 5.2493 XZ= 3.1103 YZ= -4.9178 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 63.7042 YYY= -98.5021 ZZZ= -57.7137 XYY= 18.5780 XXY= -32.7799 XXZ= -18.6057 XZZ= 25.8292 YZZ= -41.2683 YYZ= -20.7233 XYZ= 2.4625 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1128.0895 YYYY= -1420.0573 ZZZZ= -1038.1132 XXXY= 136.2513 XXXZ= 61.5157 YYYX= 158.2833 YYYZ= -112.6588 ZZZX= 57.0518 ZZZY= -91.9567 XXYY= -435.4633 XXZZ= -362.2325 YYZZ= -407.7307 XXYZ= -38.7088 YYXZ= 31.9800 ZZXY= 45.5210 N-N= 1.707209321670D+03 E-N=-7.043557319454D+03 KE= 1.004851419499D+03 Exact polarizability: 268.401 -9.495 278.329 0.466 -0.436 254.860 Approx polarizability: 630.764 -8.450 641.528 18.254 -27.880 580.536 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00053 0.00019 0.00018 2 Cu(63) 0.00000 0.00043 0.00015 0.00014 3 Cu(63) 0.00000 0.00040 0.00014 0.00013 4 Cu(63) 0.00000 0.00044 0.00016 0.00015 5 Cu(63) 0.00000 0.00052 0.00019 0.00017 6 Cu(63) 0.00000 0.00057 0.00020 0.00019 7 Cu(63) 0.00001 0.01111 0.00397 0.00371 8 C(13) 0.09056 101.81074 36.32860 33.96041 9 O(17) 0.01443 -8.74584 -3.12073 -2.91730 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.044014 0.041546 0.002468 2 Atom 0.035440 -0.017326 -0.018114 3 Atom -0.039029 0.011121 0.027908 4 Atom 0.011832 0.018422 -0.030254 5 Atom -0.000171 -0.024002 0.024173 6 Atom -0.011016 -0.013057 0.024074 7 Atom 0.026462 -0.017928 -0.008534 8 Atom -0.030600 -0.002309 0.032910 9 Atom -0.071381 -0.024390 0.095772 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.000960 -0.058598 -0.006669 2 Atom -0.004109 0.009270 0.049066 3 Atom -0.035855 -0.005238 -0.008782 4 Atom 0.023278 -0.039797 0.029623 5 Atom -0.052001 0.033375 0.033460 6 Atom 0.002971 0.004104 -0.008834 7 Atom 0.046400 0.041386 -0.064544 8 Atom -0.022163 0.044136 -0.076558 9 Atom -0.038316 0.058203 -0.105447 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0840 -11.890 -4.242 -3.966 0.8259 0.0362 0.5626 1 Cu(63) Bbb 0.0370 5.239 1.870 1.748 -0.4086 0.7260 0.5531 Bcc 0.0470 6.650 2.373 2.218 0.3885 0.6867 -0.6144 Baa -0.0677 -9.579 -3.418 -3.195 -0.0916 -0.6989 0.7093 2 Cu(63) Bbb 0.0295 4.171 1.488 1.391 -0.4626 0.6607 0.5912 Bcc 0.0382 5.408 1.930 1.804 0.8818 0.2739 0.3838 Baa -0.0586 -8.295 -2.960 -2.767 0.8796 0.4651 0.1005 3 Cu(63) Bbb 0.0239 3.388 1.209 1.130 -0.3804 0.5604 0.7358 Bcc 0.0347 4.907 1.751 1.637 -0.2859 0.6854 -0.6698 Baa -0.0701 -9.919 -3.540 -3.309 0.4898 -0.3899 0.7798 4 Cu(63) Bbb 0.0307 4.342 1.549 1.448 -0.3866 0.7046 0.5951 Bcc 0.0394 5.577 1.990 1.860 0.7815 0.5929 -0.1944 Baa -0.0856 -12.116 -4.323 -4.041 0.5854 0.7085 -0.3940 5 Cu(63) Bbb 0.0377 5.343 1.906 1.782 -0.4760 0.6938 0.5404 Bcc 0.0478 6.773 2.417 2.259 0.6563 -0.1288 0.7434 Baa -0.0174 -2.465 -0.879 -0.822 -0.5264 0.8195 0.2266 6 Cu(63) Bbb -0.0090 -1.269 -0.453 -0.423 0.8455 0.5327 0.0374 Bcc 0.0264 3.734 1.332 1.245 0.0901 -0.2113 0.9733 Baa -0.1069 -15.138 -5.401 -5.049 -0.4224 0.6661 0.6147 7 Cu(63) Bbb 0.0512 7.244 2.585 2.416 0.2379 -0.5729 0.7843 Bcc 0.0558 7.894 2.817 2.633 0.8746 0.4776 0.0836 Baa -0.0678 -9.097 -3.246 -3.034 -0.4047 0.6338 0.6592 8 C(13) Bbb -0.0427 -5.730 -2.044 -1.911 0.8547 0.5185 0.0261 Bcc 0.1105 14.826 5.290 4.945 0.3253 -0.5740 0.7515 Baa -0.0929 6.719 2.397 2.241 0.8543 0.5190 0.0265 9 O(17) Bbb -0.0837 6.058 2.162 2.021 -0.4439 0.7023 0.5565 Bcc 0.1766 -12.777 -4.559 -4.262 0.2702 -0.4872 0.8304 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sun Apr 13 00:30:04 2008, MaxMem= 1258291200 cpu: 2.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 5.13283287D-03 1.42174224D-03 3.01112635D-01 Polarizability= 2.68401180D+02-9.49471573D+00 2.78329418D+02 4.66413356D-01-4.35996813D-01 2.54859556D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000157183 -0.000287487 0.000167252 2 29 0.000048501 0.000294334 -0.000364744 3 29 0.000003235 -0.000223133 0.000085363 4 29 -0.000127696 0.000142476 -0.000382063 5 29 0.000305441 -0.000087592 0.000239111 6 29 0.000029463 0.000034876 0.000241219 7 29 -0.000065453 0.000040463 0.000147966 8 6 -0.001429137 0.002376875 0.000056026 9 8 0.001392828 -0.002290813 -0.000190130 ------------------------------------------------------------------- Cartesian Forces: Max 0.002376875 RMS 0.000764061 Leave Link 716 at Sun Apr 13 00:30:04 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=3 IStep= 2. Max difference between analytic and numerical Dipole moment IMax= 1 EMax= 4.27D-04 Max difference between off-diagonal Polarizability IMax= 1 JMax= 2 EMax= 2.52D-02 Max difference between analytic and numerical Polarizability IMax= 3 EMax= 7.84D-01 Max difference between off-diagonal HyperPolarizability IMax= 2 JMax= 2 KMax= 3 EMax= 5.59D+00 Final packed hyperpolarizability: K= 1 block: 1 1 -0.720224D+03 K= 2 block: 1 2 1 0.881271D+02 2 0.386579D+03 0.461334D+03 K= 3 block: 1 2 3 1 -0.812826D+01 2 0.460425D+03 -0.452775D+03 3 -0.657626D+02 0.110027D+03 0.632883D+03 Max difference between off-diagonal Polar Derivs IMax= 2 JMax= 3 KMax= 24 EMax= 7.27D-02 Leave Link 106 at Sun Apr 13 00:30:04 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole = 4.38681617D-03 2.00717107D-03-1.80564934D-01 Polarizability= 2.67736359D+02-8.11767614D+00 2.76571938D+02 6.51380440D-01-5.92816529D-01 2.54946614D+02 HyperPolar =-7.20223708D+02 8.81271048D+01 3.86579472D+02 4.61334494D+02-8.12826008D+00 4.60424729D+02 -4.52774734D+02-6.57625941D+01 1.10026528D+02 6.32882565D+02 Full mass-weighted force constant matrix: Low frequencies --- -5.1597 -1.2741 0.0004 0.0005 0.0006 4.3915 Low frequencies --- 8.1678 36.8608 46.2548 Diagonal vibrational polarizability: 203.2206016 103.0966526 6.5218890 Diagonal vibrational hyperpolarizability: -14295.5969200 9012.0438607 -18.2434229 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering activities (A**4/AMU), depolarization ratios for plane and unpolarized incident light, reduced masses (AMU), force constants (mDyne/A), and normal coordinates: 1 2 3 A A A Frequencies -- 8.1338 36.8606 46.2547 Red. masses -- 20.6246 20.7169 62.6483 Frc consts -- 0.0008 0.0166 0.0790 IR Inten -- 0.6045 0.6819 0.0220 Raman Activ -- 7.2923 3.7392 0.3170 Depolar (P) -- 0.7500 0.7396 0.7468 Depolar (U) -- 0.8571 0.8503 0.8551 Atom AN X Y Z X Y Z X Y Z 1 29 -0.10 0.05 0.05 -0.04 0.08 0.11 -0.27 0.39 0.35 2 29 -0.09 0.09 0.06 0.04 -0.07 0.00 0.15 -0.22 -0.18 3 29 -0.01 -0.02 -0.01 0.07 -0.11 -0.04 0.02 -0.05 -0.04 4 29 0.04 -0.13 -0.07 0.03 -0.06 0.01 -0.18 0.29 0.24 5 29 -0.01 -0.09 -0.04 -0.07 0.10 0.12 0.25 -0.41 -0.37 6 29 -0.13 -0.08 -0.01 0.05 -0.09 0.12 0.02 0.00 0.01 7 29 0.08 0.04 0.00 -0.04 0.07 -0.04 0.01 0.01 0.01 8 6 0.16 0.10 0.01 -0.06 0.12 -0.32 0.04 0.02 -0.01 9 8 0.79 0.48 0.03 -0.08 0.19 -0.85 -0.02 -0.01 -0.06 4 5 6 A A A Frequencies -- 49.9229 89.3001 105.5202 Red. masses -- 62.2547 43.0293 62.5346 Frc consts -- 0.0914 0.2022 0.4102 IR Inten -- 0.0380 1.2370 0.0591 Raman Activ -- 0.3482 9.7355 5.9635 Depolar (P) -- 0.7174 0.0433 0.7173 Depolar (U) -- 0.8354 0.0830 0.8354 Atom AN X Y Z X Y Z X Y Z 1 29 0.10 -0.17 -0.13 -0.03 -0.11 0.13 0.11 0.13 -0.08 2 29 -0.20 0.38 0.32 -0.15 -0.10 -0.04 -0.39 -0.29 0.10 3 29 0.28 -0.41 -0.40 0.00 0.06 -0.18 0.18 -0.26 0.38 4 29 -0.23 0.31 0.27 0.15 0.07 0.01 0.42 0.15 0.24 5 29 0.05 -0.08 -0.07 0.11 -0.04 0.15 -0.10 0.07 -0.15 6 29 0.00 -0.03 0.03 -0.18 0.29 0.24 -0.11 0.07 -0.27 7 29 -0.01 0.00 0.02 0.20 -0.33 -0.33 -0.11 0.13 -0.23 8 6 -0.01 -0.01 0.00 -0.23 0.39 -0.08 -0.04 0.00 -0.06 9 8 0.02 0.02 -0.12 -0.23 0.36 0.13 0.00 0.01 0.05 7 8 9 A A A Frequencies -- 105.9311 106.4288 106.6641 Red. masses -- 62.0833 60.5971 61.7242 Frc consts -- 0.4105 0.4044 0.4138 IR Inten -- 0.0464 0.1390 0.0607 Raman Activ -- 4.4482 0.9953 6.5923 Depolar (P) -- 0.6768 0.5403 0.7350 Depolar (U) -- 0.8072 0.7015 0.8473 Atom AN X Y Z X Y Z X Y Z 1 29 0.16 -0.22 0.41 0.04 -0.09 0.11 0.39 0.36 -0.09 2 29 0.36 -0.05 0.28 -0.03 0.14 -0.25 -0.14 -0.01 -0.18 3 29 0.19 0.28 -0.21 0.35 0.12 0.17 0.01 0.08 -0.11 4 29 0.01 -0.12 0.15 0.05 0.17 -0.11 -0.24 -0.34 0.29 5 29 -0.24 -0.02 -0.12 0.17 0.33 -0.26 0.39 0.00 0.31 6 29 -0.23 0.04 -0.32 -0.32 -0.33 0.22 -0.22 -0.07 -0.16 7 29 -0.24 0.07 -0.19 -0.24 -0.32 0.13 -0.17 -0.01 -0.06 8 6 -0.06 0.01 -0.08 -0.14 -0.13 0.04 -0.12 -0.07 -0.04 9 8 0.01 0.03 0.08 0.08 0.02 -0.06 0.04 0.02 0.03 10 11 12 A A A Frequencies -- 118.6344 133.1637 134.4544 Red. masses -- 43.0976 51.5417 59.8580 Frc consts -- 0.3574 0.5385 0.6376 IR Inten -- 0.1275 0.4332 0.3958 Raman Activ -- 11.2662 1.7683 4.5149 Depolar (P) -- 0.2941 0.7436 0.6787 Depolar (U) -- 0.4546 0.8530 0.8086 Atom AN X Y Z X Y Z X Y Z 1 29 -0.08 0.10 0.11 0.06 -0.15 -0.14 0.19 -0.15 -0.14 2 29 -0.10 0.17 0.13 0.17 -0.20 -0.13 -0.05 0.05 0.07 3 29 -0.13 0.20 0.11 -0.06 0.03 0.01 -0.13 0.24 0.11 4 29 -0.09 0.15 0.11 -0.12 0.25 0.15 0.00 -0.03 0.06 5 29 -0.06 0.10 0.12 -0.10 0.06 0.11 0.10 -0.25 -0.19 6 29 0.20 -0.30 -0.16 -0.38 -0.25 0.01 0.11 -0.18 0.51 7 29 0.17 -0.28 -0.34 0.47 0.29 -0.01 -0.23 0.34 -0.43 8 6 0.21 -0.30 -0.32 -0.39 -0.25 -0.01 0.04 -0.06 0.22 9 8 0.21 -0.34 -0.08 0.07 0.03 0.00 0.02 -0.03 -0.08 13 14 15 A A A Frequencies -- 166.1079 167.9420 178.4568 Red. masses -- 61.7539 62.7814 16.7326 Frc consts -- 1.0039 1.0433 0.3140 IR Inten -- 0.0436 0.0111 8.8523 Raman Activ -- 0.0687 0.1191 1.6166 Depolar (P) -- 0.7396 0.7461 0.7498 Depolar (U) -- 0.8503 0.8546 0.8570 Atom AN X Y Z X Y Z X Y Z 1 29 -0.19 0.10 -0.25 -0.46 -0.10 -0.25 0.01 -0.05 0.07 2 29 -0.12 -0.39 0.37 0.13 -0.13 0.24 -0.09 -0.03 -0.05 3 29 0.50 0.31 0.02 -0.15 0.05 -0.15 0.07 0.03 0.02 4 29 -0.29 0.07 -0.30 0.12 -0.24 0.37 -0.09 -0.06 0.02 5 29 0.08 -0.09 0.14 0.37 0.42 -0.22 -0.01 0.04 -0.06 6 29 0.00 -0.01 0.01 0.00 -0.01 0.01 0.18 0.11 0.00 7 29 0.01 0.01 0.00 -0.01 0.01 -0.01 0.03 0.01 0.00 8 6 0.13 0.07 0.01 -0.04 -0.03 0.01 -0.79 -0.48 -0.03 9 8 -0.02 -0.03 -0.01 0.01 0.00 -0.01 0.22 0.13 0.01 16 17 18 A A A Frequencies -- 192.6478 197.8134 203.0731 Red. masses -- 61.2115 33.2714 42.2624 Frc consts -- 1.3385 0.7671 1.0269 IR Inten -- 3.0668 0.0160 5.8359 Raman Activ -- 7.7544 0.3028 58.9931 Depolar (P) -- 0.1821 0.2550 0.1809 Depolar (U) -- 0.3082 0.4064 0.3064 Atom AN X Y Z X Y Z X Y Z 1 29 -0.24 -0.24 0.07 -0.02 0.18 -0.20 0.13 0.25 -0.18 2 29 0.25 0.22 -0.05 0.27 0.03 0.16 0.24 0.05 0.11 3 29 0.10 -0.31 0.44 -0.12 -0.05 -0.03 0.07 -0.15 0.20 4 29 -0.25 -0.01 -0.16 0.22 0.20 -0.09 -0.23 -0.20 0.07 5 29 0.33 0.01 0.20 0.02 -0.14 0.16 -0.26 0.08 -0.25 6 29 -0.08 0.16 -0.19 -0.07 -0.04 0.01 -0.03 0.04 0.17 7 29 -0.08 0.13 -0.33 -0.23 -0.15 -0.01 0.14 -0.19 -0.11 8 6 -0.07 0.08 0.10 -0.64 -0.36 -0.03 -0.14 0.34 -0.36 9 8 -0.06 0.10 0.01 0.18 0.13 0.02 -0.16 0.23 0.28 19 20 21 A A A Frequencies -- 228.2121 344.6004 1952.4971 Red. masses -- 14.5727 18.5945 13.3843 Frc consts -- 0.4472 1.3010 30.0627 IR Inten -- 41.3969 0.1372 1608.0700 Raman Activ -- 124.0792 48.1188 3069.8814 Depolar (P) -- 0.4603 0.3731 0.5584 Depolar (U) -- 0.6304 0.5435 0.7166 Atom AN X Y Z X Y Z X Y Z 1 29 0.03 0.05 -0.03 -0.01 -0.01 0.01 0.00 0.00 0.00 2 29 0.02 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 3 29 -0.01 0.01 0.02 -0.01 0.02 -0.01 0.00 0.00 0.00 4 29 -0.03 -0.02 0.02 0.01 0.01 0.00 0.00 0.00 0.00 5 29 -0.05 0.01 -0.04 0.01 0.00 0.01 0.00 0.00 0.00 6 29 -0.05 0.09 -0.01 0.15 -0.24 -0.13 0.00 0.00 0.00 7 29 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 8 6 0.10 -0.21 0.87 -0.29 0.46 0.46 0.42 -0.68 -0.12 9 8 0.04 -0.04 -0.38 -0.32 0.53 0.13 -0.30 0.50 0.08 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 29 and mass 62.92960 Atom 2 has atomic number 29 and mass 62.92960 Atom 3 has atomic number 29 and mass 62.92960 Atom 4 has atomic number 29 and mass 62.92960 Atom 5 has atomic number 29 and mass 62.92960 Atom 6 has atomic number 29 and mass 62.92960 Atom 7 has atomic number 29 and mass 62.92960 Atom 8 has atomic number 6 and mass 12.00000 Atom 9 has atomic number 8 and mass 15.99491 Molecular mass: 468.50211 amu. Principal axes and moments of inertia in atomic units: 1 2 3 EIGENVALUES -- 4689.043504933.727305198.11826 X -0.49242 0.85573 -0.15891 Y 0.82928 0.51672 0.21281 Z -0.26422 0.02699 0.96408 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.01847 0.01756 0.01666 Rotational constants (GHZ): 0.38488 0.36580 0.34719 Zero-point vibrational energy 27948.5 (Joules/Mol) 6.67984 (Kcal/Mol) Warning -- explicit consideration of 20 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 11.70 53.03 66.55 71.83 128.48 (Kelvin) 151.82 152.41 153.13 153.47 170.69 191.59 193.45 238.99 241.63 256.76 277.18 284.61 292.18 328.35 495.80 2809.20 Zero-point correction= 0.010645 (Hartree/Particle) Thermal correction to Energy= 0.027036 Thermal correction to Enthalpy= 0.027981 Thermal correction to Gibbs Free Energy= -0.041031 Sum of electronic and zero-point Energies= -1486.530421 Sum of electronic and thermal Energies= -1486.514030 Sum of electronic and thermal Enthalpies= -1486.513086 Sum of electronic and thermal Free Energies= -1486.582097 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 16.966 43.956 145.247 Electronic 0.000 0.000 1.377 Translational 0.889 2.981 44.322 Rotational 0.889 2.981 33.153 Vibrational 15.188 37.994 66.395 Vibration 1 0.593 1.987 8.421 Vibration 2 0.594 1.982 5.421 Vibration 3 0.595 1.979 4.971 Vibration 4 0.595 1.978 4.820 Vibration 5 0.602 1.957 3.675 Vibration 6 0.605 1.945 3.350 Vibration 7 0.605 1.944 3.342 Vibration 8 0.605 1.944 3.333 Vibration 9 0.606 1.944 3.329 Vibration 10 0.609 1.934 3.123 Vibration 11 0.613 1.920 2.900 Vibration 12 0.613 1.919 2.881 Vibration 13 0.624 1.884 2.479 Vibration 14 0.625 1.882 2.458 Vibration 15 0.629 1.869 2.344 Vibration 16 0.635 1.850 2.202 Vibration 17 0.637 1.843 2.153 Vibration 18 0.639 1.836 2.105 Vibration 19 0.651 1.798 1.893 Vibration 20 0.723 1.586 1.191 Q Log10(Q) Ln(Q) Total Bot 0.746153D+19 18.872828 43.456292 Total V=0 0.587736D+24 23.769182 54.730565 Vib (Bot) 0.238438D+04 3.377376 7.776696 Vib (Bot) 1 0.254754D+02 1.406121 3.237713 Vib (Bot) 2 0.561445D+01 0.749307 1.725344 Vib (Bot) 3 0.447079D+01 0.650384 1.497566 Vib (Bot) 4 0.414088D+01 0.617093 1.420908 Vib (Bot) 5 0.230268D+01 0.362235 0.834076 Vib (Bot) 6 0.194278D+01 0.288424 0.664122 Vib (Bot) 7 0.193509D+01 0.286700 0.660152 Vib (Bot) 8 0.192584D+01 0.284620 0.655362 Vib (Bot) 9 0.192150D+01 0.283640 0.653105 Vib (Bot) 10 0.172312D+01 0.236317 0.544139 Vib (Bot) 11 0.152971D+01 0.184609 0.425079 Vib (Bot) 12 0.151452D+01 0.180275 0.415099 Vib (Bot) 13 0.121475D+01 0.084486 0.194536 Vib (Bot) 14 0.120078D+01 0.079462 0.182967 Vib (Bot) 15 0.112608D+01 0.051571 0.118746 Vib (Bot) 16 0.103789D+01 0.016150 0.037186 Vib (Bot) 17 0.100884D+01 0.003820 0.008796 Vib (Bot) 18 0.980728D+00 -0.008451 -0.019460 Vib (Bot) 19 0.863723D+00 -0.063626 -0.146504 Vib (Bot) 20 0.537268D+00 -0.269809 -0.621259 Vib (V=0) 0.187815D+09 8.273731 19.050969 Vib (V=0) 1 0.259803D+02 1.414644 3.257339 Vib (V=0) 2 0.613667D+01 0.787933 1.814283 Vib (V=0) 3 0.499866D+01 0.698854 1.609171 Vib (V=0) 4 0.467096D+01 0.669406 1.541364 Vib (V=0) 5 0.285634D+01 0.455811 1.049543 Vib (V=0) 6 0.250609D+01 0.398997 0.918725 Vib (V=0) 7 0.249864D+01 0.397703 0.915746 Vib (V=0) 8 0.248969D+01 0.396145 0.912157 Vib (V=0) 9 0.248549D+01 0.395411 0.910468 Vib (V=0) 10 0.229420D+01 0.360632 0.830385 Vib (V=0) 11 0.210935D+01 0.324149 0.746381 Vib (V=0) 12 0.209492D+01 0.321168 0.739516 Vib (V=0) 13 0.181363D+01 0.258548 0.595328 Vib (V=0) 14 0.180072D+01 0.255445 0.588184 Vib (V=0) 15 0.173210D+01 0.238572 0.549333 Vib (V=0) 16 0.165204D+01 0.218022 0.502014 Vib (V=0) 17 0.162594D+01 0.211105 0.486088 Vib (V=0) 18 0.160083D+01 0.204345 0.470523 Vib (V=0) 19 0.149801D+01 0.175514 0.404135 Vib (V=0) 20 0.123393D+01 0.091291 0.210206 Electronic 0.200000D+01 0.301030 0.693147 Translational 0.398586D+09 8.600522 19.803435 Rotational 0.392554D+07 6.593899 15.183014 Cu7CO05 IR Spectrum 1 9 3 2211111111111 5 4 20997663310008543 2 5 83838864397669067 8 X X XX XX XXXXXXX X X X X X X X X X X X X X X X X X X X X X Cu7CO05 Raman Spectrum 1 9 3 22111111111111 5 4 209976633100008543 2 5 838388643976669067 8 X X XXXXXXXXXXXXXXXXXX X X X X X X X X X X X X X X X X X X X X ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000024674 -0.000111294 0.000162613 2 29 -0.000071207 0.000207082 -0.000253985 3 29 -0.000060851 -0.000036276 0.000011415 4 29 -0.000042959 0.000136507 -0.000230640 5 29 0.000077516 -0.000056456 0.000153714 6 29 -0.000018366 0.000127677 0.000161299 7 29 0.000046440 -0.000127988 0.000070184 8 6 0.000028801 -0.000049812 0.000032647 9 8 0.000065300 -0.000089440 -0.000107249 ------------------------------------------------------------------- Cartesian Forces: Max 0.000253985 RMS 0.000115118 Force constants in Cartesian coordinates: 1 2 3 4 5 1 0.327287D-01 2 0.121165D-01 0.330844D-01 3 0.403505D-02 -0.173878D-01 0.318060D-01 4 -0.467002D-02 0.722002D-02 -0.131855D-01 0.432234D-01 5 0.403994D-02 -0.262575D-02 0.840131D-02 0.106696D-01 0.243452D-01 6 -0.992687D-02 0.107851D-01 -0.176406D-01 0.113757D-01 -0.917838D-02 7 -0.851460D-03 -0.987929D-03 0.176763D-02 -0.850088D-02 -0.109966D-01 8 0.105638D-02 -0.190396D-02 0.186852D-02 -0.136520D-01 -0.133385D-01 9 -0.104968D-02 -0.908299D-04 -0.216080D-02 0.857205D-02 0.957726D-02 10 -0.159024D-02 0.323799D-03 -0.692480D-03 -0.252396D-02 -0.181121D-02 11 -0.199442D-02 -0.208490D-02 -0.401435D-03 0.318828D-03 -0.145898D-02 12 0.210347D-02 0.116499D-02 -0.134275D-02 -0.148841D-02 -0.126893D-02 13 -0.218432D-01 -0.146151D-01 -0.115788D-02 -0.237430D-02 0.120798D-02 14 -0.113711D-01 -0.482175D-02 -0.294725D-03 -0.107811D-02 -0.899640D-03 15 -0.461050D-02 -0.251607D-02 0.198143D-02 0.397505D-03 0.645135D-03 16 -0.467958D-02 -0.335591D-02 0.816561D-02 -0.180649D-01 0.191030D-02 17 -0.125671D-02 0.426626D-03 0.190422D-02 0.479350D-02 0.543730D-03 18 0.826616D-02 0.489789D-02 -0.123669D-01 0.296608D-02 -0.384722D-03 19 0.126044D-02 -0.847980D-03 0.156494D-03 -0.505433D-02 -0.585060D-02 20 -0.236529D-02 -0.215790D-01 0.551503D-02 -0.820510D-02 -0.655948D-02 21 0.481295D-03 0.329164D-02 0.536223D-03 -0.813693D-02 -0.788712D-02 22 -0.617413D-03 0.824382D-04 0.178102D-02 -0.369872D-02 0.721164D-03 23 -0.134537D-03 -0.121834D-02 0.136796D-03 0.380805D-03 0.447441D-03 24 0.775649D-03 0.148358D-03 -0.896750D-03 -0.103434D-02 0.402422D-03 25 0.262763D-03 0.642060D-04 -0.869994D-03 0.166366D-02 0.109421D-03 26 -0.907425D-04 0.722665D-03 0.258087D-03 -0.447553D-03 -0.454017D-03 27 -0.745732D-04 -0.293299D-03 0.841809D-04 0.533792D-03 -0.306963D-03 6 7 8 9 10 6 0.286565D-01 7 0.516930D-02 0.312388D-01 8 0.707631D-02 0.531304D-02 0.294423D-01 9 -0.258328D-02 0.935549D-02 -0.170936D-01 0.349060D-01 10 0.137182D-02 -0.189945D-01 0.431996D-05 -0.159480D-01 0.399972D-01 11 0.525596D-03 -0.267188D-02 0.164486D-02 -0.188363D-02 0.151487D-01 12 -0.882343D-03 -0.122423D-01 0.469856D-05 -0.745000D-02 0.496279D-02 13 -0.221559D-02 -0.121711D-02 -0.512289D-03 0.783869D-03 0.193920D-02 14 -0.126636D-02 0.155198D-02 -0.128328D-02 0.120938D-02 -0.318371D-02 15 -0.172627D-02 -0.221719D-02 -0.406595D-03 -0.241424D-02 0.332493D-02 16 0.164471D-03 -0.245264D-02 0.728628D-02 -0.359533D-02 -0.175473D-02 17 0.240154D-03 0.681159D-02 -0.138277D-01 0.715027D-02 -0.820608D-02 18 0.782538D-03 -0.155630D-02 0.336322D-02 -0.707652D-03 -0.252732D-02 19 -0.628530D-02 0.105759D-02 -0.281921D-03 0.194364D-02 -0.167644D-01 20 -0.806517D-02 0.246570D-04 0.925726D-03 0.965629D-03 -0.199358D-02 21 -0.681406D-02 0.555005D-03 0.361066D-02 -0.197049D-01 0.938949D-02 22 -0.102358D-03 -0.288937D-03 0.100450D-02 -0.108093D-02 -0.375866D-03 23 0.873979D-04 0.108500D-02 -0.232113D-02 0.198288D-02 -0.135829D-02 24 0.371226D-03 -0.152083D-02 0.282602D-02 0.169334D-03 0.828355D-04 25 0.448821D-03 0.913763D-05 -0.218300D-03 0.101890D-02 0.672816D-04 26 -0.204673D-03 -0.129848D-03 0.661698D-03 -0.181740D-02 0.107610D-02 27 -0.163791D-03 0.689179D-03 -0.124929D-02 -0.545228D-04 0.359422D-04 11 12 13 14 15 11 0.295983D-01 12 -0.120760D-01 0.275742D-01 13 0.461310D-04 -0.147929D-03 0.393735D-01 14 -0.123188D-01 0.146956D-01 0.511844D-02 0.250438D-01 15 0.166419D-01 -0.147294D-01 0.143788D-01 -0.134417D-01 0.341704D-01 16 -0.518825D-02 -0.126487D-02 -0.819592D-03 -0.107703D-02 -0.394896D-02 17 -0.144429D-01 -0.295860D-02 -0.258020D-02 -0.100179D-03 -0.503722D-02 18 -0.497589D-02 -0.273450D-03 -0.666507D-02 -0.311776D-02 -0.155663D-01 19 -0.447986D-02 0.832477D-02 -0.147487D-01 0.988964D-02 -0.668584D-02 20 0.711681D-03 0.102691D-02 0.109388D-01 -0.533533D-02 0.454548D-02 21 0.213241D-02 -0.302696D-02 -0.485977D-02 0.278743D-02 -0.670146D-03 22 -0.173157D-02 -0.165601D-03 -0.776990D-03 0.588637D-03 -0.809703D-03 23 -0.291070D-02 -0.612690D-03 0.786620D-03 -0.636389D-03 -0.116604D-02 24 0.375713D-03 0.315538D-03 -0.443052D-03 -0.394917D-03 -0.120899D-02 25 0.552354D-03 -0.819212D-04 0.467148D-03 -0.438753D-03 0.170958D-03 26 0.126143D-02 0.240496D-04 -0.390385D-03 0.351600D-03 0.735136D-03 27 -0.338631D-03 -0.184883D-03 0.326627D-03 -0.176927D-03 0.163441D-03 16 17 18 19 20 16 0.509453D-01 17 -0.302845D-01 0.810716D-01 18 -0.157913D-01 0.248561D-01 0.447557D-01 19 -0.183102D-02 0.184514D-02 0.106103D-02 0.354471D-01 20 0.183918D-02 -0.375396D-02 -0.170371D-02 -0.114669D-02 0.357567D-01 21 0.176711D-02 -0.277820D-02 -0.168484D-02 -0.829163D-04 0.160089D-03 22 -0.199015D-01 0.227796D-01 0.152506D-01 0.382352D-02 -0.133854D-02 23 0.230542D-01 -0.424925D-01 -0.247051D-01 -0.144464D-02 0.545712D-02 24 0.981826D-02 -0.157689D-01 -0.151492D-01 0.279493D-02 -0.431400D-02 25 -0.144141D-02 0.609759D-02 -0.100384D-02 -0.319020D-02 0.224654D-02 26 0.581564D-02 -0.742480D-02 0.176999D-02 0.231692D-02 -0.562346D-02 27 0.468501D-02 -0.760785D-02 0.210093D-03 -0.122680D-02 0.186975D-02 21 22 23 24 25 21 0.330457D-01 22 0.737410D-03 0.283348D+00 23 -0.910290D-03 -0.441908D+00 0.734500D+00 24 -0.305762D-02 -0.798276D-01 0.129930D+00 0.452352D-01 25 0.149306D-03 -0.261512D+00 0.419539D+00 0.693542D-01 0.263673D+00 26 -0.406610D-03 0.419802D+00 -0.690825D+00 -0.113205D+00 -0.427952D+00 27 0.137663D-02 0.642172D-01 -0.104743D+00 -0.257788D-01 -0.691864D-01 26 27 26 0.701330D+00 27 0.112847D+00 0.243476D-01 Leave Link 716 at Sun Apr 13 00:30:05 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000200086 RMS 0.000069586 Search for a local minimum. Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. Eigenvalues --- 0.00002 0.00080 0.00306 0.00347 0.00548 Eigenvalues --- 0.00726 0.01298 0.01514 0.01541 0.01665 Eigenvalues --- 0.01761 0.01909 0.01931 0.02543 0.02595 Eigenvalues --- 0.02625 0.02648 0.02868 0.02992 0.08847 Eigenvalues --- 0.982701000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.00000 Angle between quadratic step and forces= 76.78 degrees. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00636418 RMS(Int)= 0.00009323 Iteration 2 RMS(Cart)= 0.00009319 RMS(Int)= 0.00004098 Iteration 3 RMS(Cart)= 0.00000003 RMS(Int)= 0.00004098 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.65752 0.00020 0.00000 0.00844 0.00845 4.66597 R2 4.66065 0.00010 0.00000 0.00545 0.00544 4.66609 R3 4.84163 0.00002 0.00000 -0.00184 -0.00184 4.83980 R4 4.75630 -0.00004 0.00000 -0.00267 -0.00269 4.75362 R5 4.67061 -0.00015 0.00000 -0.00607 -0.00605 4.66455 R6 4.83261 0.00006 0.00000 0.00256 0.00256 4.83517 R7 4.78129 0.00002 0.00000 0.00158 0.00154 4.78284 R8 4.66941 -0.00008 0.00000 -0.00277 -0.00279 4.66662 R9 4.82400 0.00007 0.00000 0.00437 0.00438 4.82838 R10 4.80320 0.00008 0.00000 0.00322 0.00322 4.80643 R11 4.65890 0.00019 0.00000 0.00802 0.00800 4.66690 R12 4.83929 -0.00001 0.00000 -0.00141 -0.00140 4.83789 R13 4.77441 0.00003 0.00000 0.00044 0.00048 4.77489 R14 4.84584 0.00000 0.00000 -0.00284 -0.00283 4.84301 R15 4.75100 -0.00003 0.00000 -0.00384 -0.00382 4.74718 R16 5.42183 -0.00006 0.00000 -0.00670 -0.00670 5.41512 R17 3.64556 0.00018 0.00000 0.00167 0.00167 3.64723 R18 2.21592 0.00012 0.00000 -0.00002 -0.00002 2.21590 A1 1.88602 -0.00003 0.00000 -0.00129 -0.00130 1.88472 A2 1.88524 0.00001 0.00000 0.00055 0.00055 1.88579 A3 1.88238 0.00004 0.00000 0.00197 0.00196 1.88434 A4 1.88506 0.00001 0.00000 0.00026 0.00027 1.88533 A5 1.88605 -0.00003 0.00000 -0.00148 -0.00148 1.88458 A6 1.79205 0.00000 0.00000 0.00048 0.00048 1.79253 A7 1.78655 0.00004 0.00000 0.00309 0.00309 1.78963 A8 2.04387 0.00000 0.00000 0.00701 0.00695 2.05082 A9 1.79101 -0.00003 0.00000 -0.00087 -0.00088 1.79013 A10 1.78678 0.00004 0.00000 0.00261 0.00261 1.78939 A11 2.24231 0.00001 0.00000 0.00358 0.00343 2.24573 A12 1.79084 0.00002 0.00000 0.00125 0.00124 1.79208 A13 2.35414 -0.00002 0.00000 -0.00664 -0.00664 2.34750 A14 2.20578 0.00000 0.00000 -0.00638 -0.00629 2.19950 A15 2.02422 0.00000 0.00000 0.00160 0.00165 2.02587 A16 2.95840 0.00000 0.00000 0.00479 0.00472 2.96313 A17 1.82003 0.00002 0.00000 0.00101 0.00102 1.82105 A18 1.82621 0.00005 0.00000 0.00295 0.00295 1.82916 A19 1.82167 -0.00003 0.00000 -0.00114 -0.00115 1.82052 A20 1.82537 0.00006 0.00000 0.00325 0.00325 1.82862 A21 1.82133 0.00002 0.00000 0.00185 0.00184 1.82318 A22 2.81020 0.00019 0.00000 0.00433 0.00433 2.81453 D1 0.00378 0.00000 0.00000 0.00005 0.00005 0.00383 D2 -0.00036 0.00000 0.00000 -0.00062 -0.00062 -0.00097 D3 -0.00575 0.00000 0.00000 0.00053 0.00053 -0.00522 D4 0.00553 -0.00001 0.00000 -0.00091 -0.00091 0.00462 D5 -0.00321 0.00001 0.00000 0.00095 0.00095 -0.00225 D6 -0.65489 -0.00002 0.00000 -0.03541 -0.03548 -0.69037 D7 -1.85421 -0.00007 0.00000 -0.04333 -0.04337 -1.89758 D8 3.02680 0.00001 0.00000 -0.03879 -0.03866 2.98814 D9 1.65800 0.00006 0.00000 -0.02813 -0.02819 1.62981 D10 0.48052 0.00001 0.00000 -0.03066 -0.03072 0.44980 D11 0.01098 0.00000 0.00000 -0.00458 -0.00450 0.00648 Item Value Threshold Converged? Maximum Force 0.000200 0.000450 YES RMS Force 0.000070 0.000300 YES Maximum Displacement 0.021336 0.001800 NO RMS Displacement 0.006376 0.001200 NO Predicted change in Energy=-4.740954D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Sun Apr 13 00:30:05 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l9999.exe) 1\1\GINC-CO-COMPUTE2\Freq\UB3LYP\LANL2DZ\C1Cu7O1(2)\ZNAMESKI\13-Apr-20 08\0\\#P Geom=AllCheck Guess=Read SCRF=Check GenChk UB3LYP/LANL2DZ Fre q\\Cu7CO05\\0,2\Cu,-1.1553951155,-0.8642612835,1.6312777032\Cu,-2.3016 388368,0.0991926209,-0.3263744017\Cu,-0.8371489937,1.8423143752,-1.288 4014744\Cu,1.2093603587,1.9585250706,0.0914054162\Cu,1.0120612433,0.28 37602069,1.8898389908\Cu,0.2147292894,-0.3340654973,-0.4677506806\Cu,- 1.0165371989,1.6177174058,1.2370385095\C,1.1337970487,-1.8050294818,-1 .3122518766\O,1.7407721548,-2.7981534167,-1.4547821764\\Version=IA64L- 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File lengths (MBytes): RWF= 113 Int= 0 D2E= 0 Chk= 16 Scr= 1 Normal termination of Gaussian 03 at Sun Apr 13 00:30:05 2008.