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/332485/Gau-16442.inp -scrdir=/scratch/batch/332485/ Entering Link 1 = /usr/apps/chemistry/gaussian/G03/e01/g03/l1.exe PID= 16446. 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=Cu8CO01_001.chk %nproc=4 Will use up to 4 processors via shared memory. %mem=12MW -------------------------------------------------------------- #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 10:07:19 2008, MaxMem= 12582912 cpu: 0.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l101.exe) ----------- Cu8CO01_001 ----------- Redundant internal coordinates taken from checkpoint file: Cu8CO01_001.chk Charge = 0 Multiplicity = 1 Cu,0,0.5144007418,0.2804319464,0.2564183014 Cu,0,0.5013656001,-2.2596860948,-0.0294685213 Cu,0,1.3001327203,-0.6097477296,-1.8338108703 Cu,0,-1.2067965547,-0.7270661678,-1.2625311239 Cu,0,0.7010948147,-1.129823787,2.2750740593 Cu,0,-1.885905846,1.1519018733,0.3104074709 Cu,0,-1.4785106419,-1.209781714,1.1256022406 Cu,0,-0.37582647,1.2613248315,2.2600769698 C,0,1.0286004288,-4.0480973889,-0.4314001864 O,0,1.2770552068,-5.1787297693,-0.5990923399 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 10 IAtWgt= 63 63 63 63 63 63 63 63 12 16 AtmWgt= 62.9295992 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 3 0 0 AtZEff= -17.6900000 -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 -22.0000000 0.0000000 0.0000000 NMagM= 2.2233000 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 10:07:20 2008, MaxMem= 12582912 cpu: 0.5 (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) 2.5562 estimate D2E/DX2 ! ! R2 R(1,3) 2.4039 estimate D2E/DX2 ! ! R3 R(1,4) 2.5069 estimate D2E/DX2 ! ! R4 R(1,5) 2.4695 estimate D2E/DX2 ! ! R5 R(1,6) 2.5542 estimate D2E/DX2 ! ! R6 R(1,7) 2.6359 estimate D2E/DX2 ! ! R7 R(1,8) 2.4019 estimate D2E/DX2 ! ! R8 R(2,3) 2.5722 estimate D2E/DX2 ! ! R9 R(2,7) 2.5212 estimate D2E/DX2 ! ! R10 R(2,9) 1.9073 estimate D2E/DX2 ! ! R11 R(4,6) 2.5428 estimate D2E/DX2 ! ! R12 R(4,7) 2.4515 estimate D2E/DX2 ! ! R13 R(5,7) 2.4654 estimate D2E/DX2 ! ! R14 R(5,8) 2.6225 estimate D2E/DX2 ! ! R15 R(6,8) 2.4685 estimate D2E/DX2 ! ! R16 R(9,10) 1.1697 estimate D2E/DX2 ! ! A1 A(2,1,4) 61.9254 estimate D2E/DX2 ! ! A2 A(2,1,5) 61.5975 estimate D2E/DX2 ! ! A3 A(2,1,6) 109.6711 estimate D2E/DX2 ! ! A4 A(2,1,8) 119.8159 estimate D2E/DX2 ! ! A5 A(3,1,4) 63.1767 estimate D2E/DX2 ! ! A6 A(3,1,5) 118.3319 estimate D2E/DX2 ! ! A7 A(3,1,6) 116.8648 estimate D2E/DX2 ! ! A8 A(3,1,7) 108.9347 estimate D2E/DX2 ! ! A9 A(3,1,8) 176.1076 estimate D2E/DX2 ! ! A10 A(4,1,5) 108.5225 estimate D2E/DX2 ! ! A11 A(4,1,8) 114.5247 estimate D2E/DX2 ! ! A12 A(5,1,6) 104.3951 estimate D2E/DX2 ! ! A13 A(6,1,7) 58.3591 estimate D2E/DX2 ! ! A14 A(7,1,8) 71.0698 estimate D2E/DX2 ! ! A15 A(3,2,7) 107.3452 estimate D2E/DX2 ! ! A16 A(3,2,9) 111.5799 estimate D2E/DX2 ! ! A17 A(7,2,9) 134.7557 estimate D2E/DX2 ! ! A18 A(6,4,7) 60.8768 estimate D2E/DX2 ! ! A19 A(7,5,8) 70.3586 estimate D2E/DX2 ! ! A20 A(4,6,8) 110.9741 estimate D2E/DX2 ! ! A21 A(2,7,4) 63.1705 estimate D2E/DX2 ! ! A22 A(2,7,5) 62.151 estimate D2E/DX2 ! ! A23 A(4,7,5) 110.4755 estimate D2E/DX2 ! ! A24 A(5,8,6) 102.4335 estimate D2E/DX2 ! ! A25 A(2,9,10) 174.4208 estimate D2E/DX2 ! ! A26 L(1,2,9,5,-1) 182.905 estimate D2E/DX2 ! ! A27 L(1,2,9,5,-2) 200.7892 estimate D2E/DX2 ! ! D1 D(4,1,9,10) 150.0307 estimate D2E/DX2 ! ! D2 D(5,1,9,10) -82.5056 estimate D2E/DX2 ! ! D3 D(6,1,9,10) -176.152 estimate D2E/DX2 ! ! D4 D(8,1,9,10) -105.9866 estimate D2E/DX2 ! ! D5 D(3,2,7,4) 33.5931 estimate D2E/DX2 ! ! D6 D(3,2,7,5) -101.6886 estimate D2E/DX2 ! ! D7 D(9,2,7,4) -114.8691 estimate D2E/DX2 ! ! D8 D(9,2,7,5) 109.8491 estimate D2E/DX2 ! ! D9 D(3,2,9,10) -165.315 estimate D2E/DX2 ! ! D10 D(7,2,9,10) -17.7884 estimate D2E/DX2 ! ! D11 D(7,4,6,8) 50.5175 estimate D2E/DX2 ! ! D12 D(6,4,7,2) -138.2066 estimate D2E/DX2 ! ! D13 D(6,4,7,5) -96.5945 estimate D2E/DX2 ! ! D14 D(8,5,7,2) 130.6549 estimate D2E/DX2 ! ! D15 D(8,5,7,4) 88.5707 estimate D2E/DX2 ! ! D16 D(7,5,8,6) -24.3178 estimate D2E/DX2 ! ! D17 D(4,6,8,5) -19.9824 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 Number of steps in this run= 70 maximum allowed number of steps= 100. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Sat Apr 12 10:07:20 2008, MaxMem= 12582912 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 0.514401 0.280432 0.256418 2 29 0 0.501366 -2.259686 -0.029469 3 29 0 1.300133 -0.609748 -1.833811 4 29 0 -1.206797 -0.727066 -1.262531 5 29 0 0.701095 -1.129824 2.275074 6 29 0 -1.885906 1.151902 0.310407 7 29 0 -1.478511 -1.209782 1.125602 8 29 0 -0.375826 1.261325 2.260077 9 6 0 1.028600 -4.048097 -0.431400 10 8 0 1.277055 -5.178730 -0.599092 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.556189 0.000000 3 Cu 2.403924 2.572154 0.000000 4 Cu 2.506946 2.605223 2.573872 0.000000 5 Cu 2.469544 2.574373 4.184765 4.039420 0.000000 6 Cu 2.554182 4.177740 4.225154 2.542803 3.969730 7 Cu 2.635889 2.521190 4.103538 2.451535 2.465433 8 Cu 2.401937 4.290571 4.803090 4.129525 2.622513 9 C 4.412897 1.907339 3.723269 4.088646 3.993568 10 O 5.578171 3.073594 4.732933 5.140718 4.998620 6 7 8 9 10 6 Cu 0.000000 7 Cu 2.531415 0.000000 8 Cu 2.468506 2.934163 0.000000 9 C 6.007047 4.094618 6.116080 0.000000 10 O 7.135013 5.130328 7.237484 1.169692 0.000000 Symmetry turned off by external request. Stoichiometry CCu8O Framework group C1[X(CCu8O)] Deg. of freedom 24 Full point group C1 Rotational constants (GHZ): 0.3954345 0.2549648 0.2151957 Leave Link 202 at Sat Apr 12 10:07:20 2008, MaxMem= 12582912 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. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2111.9060346546 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= 10 NActive= 10 NUniq= 10 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sat Apr 12 10:07:21 2008, MaxMem= 12582912 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= 2775 NPrTT= 15425 LenC2= 2735 LenP2D= 11351. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 194 RedAO= T NBF= 194 NBsUse= 194 1.00D-06 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 616 NPtTot= 106390 NUsed= 110743 NTot= 110775 NSgBfM= 210 210 210 210. Leave Link 302 at Sat Apr 12 10:07:25 2008, MaxMem= 12582912 cpu: 9.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Sat Apr 12 10:07:25 2008, MaxMem= 12582912 cpu: 0.1 (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= -1515.52682519408 Leave Link 401 at Sat Apr 12 10:07:27 2008, MaxMem= 12582912 cpu: 7.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed 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. 110742 words used for storage of precomputed grid. IEnd= 284425 IEndB= 284425 NGot= 12582912 MDV= 12359438 LenX= 12359438 Fock matrices will be formed incrementally for 20 cycles. Cycle 1 Pass 1 IDiag 1: 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. E= -1679.68556934653 DIIS: error= 1.28D-01 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1679.68556934653 IErMin= 1 ErrMin= 1.28D-01 ErrMax= 1.28D-01 EMaxC= 1.00D-01 BMatC= 3.96D+00 BMatP= 3.96D+00 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= -0.028 Goal= None Shift= 0.000 GapD= -0.028 DampG=0.250 DampE=0.125 DampFc=0.1250 IDamp=-1. Damping current iteration by 1.25D-01 RMSDP=6.54D+00 MaxDP=5.32D+02 OVMax= 9.76D-01 Cycle 2 Pass 1 IDiag 1: RMSU= 8.18D-01 CP: 1.47D+00 E= -1677.06377173510 Delta-E= 2.621797611425 Rises=F Damp=T DIIS: error= 3.32D-02 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1679.68556934653 IErMin= 2 ErrMin= 3.32D-02 ErrMax= 3.32D-02 EMaxC= 1.00D-01 BMatC= 4.46D-01 BMatP= 3.96D+00 IDIUse=3 WtCom= 6.68D-01 WtEn= 3.32D-01 Coeff-Com: -0.586D-01 0.106D+01 Coeff-En: 0.732D+00 0.268D+00 Coeff: 0.204D+00 0.796D+00 Gap= -0.055 Goal= None Shift= 0.000 RMSDP=8.05D-01 MaxDP=6.52D+01 DE= 2.62D+00 OVMax= 8.27D-01 Cycle 3 Pass 1 IDiag 1: RMSU= 4.51D-02 CP: 9.97D-01 1.78D-02 E= -1668.47577087490 Delta-E= 8.588000860198 Rises=F Damp=F DIIS: error= 1.47D-01 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 1 EnMin= -1679.68556934653 IErMin= 2 ErrMin= 3.32D-02 ErrMax= 1.47D-01 EMaxC= 1.00D-01 BMatC= 4.95D+00 BMatP= 4.46D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 3 forward-backward iterations Coeff-En: 0.702D+00 0.272D+00 0.256D-01 Coeff: 0.702D+00 0.272D+00 0.256D-01 Gap= -0.211 Goal= None Shift= 0.000 RMSDP=6.07D-02 MaxDP=2.57D+00 DE= 8.59D+00 OVMax= 9.62D-01 Cycle 4 Pass 1 IDiag 1: RMSU= 5.51D-02 CP: 9.81D-01 2.57D-02 4.54D-01 E= -1643.98434961084 Delta-E= 24.491421264066 Rises=F Damp=F DIIS: error= 5.32D-01 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 1 EnMin= -1679.68556934653 IErMin= 2 ErrMin= 3.32D-02 ErrMax= 5.32D-01 EMaxC= 1.00D-01 BMatC= 6.03D+01 BMatP= 4.46D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 100 forward-backward iterations Coeff-En: 0.831D+00 0.958D-02 0.137D-01 0.145D+00 Coeff: 0.831D+00 0.958D-02 0.137D-01 0.145D+00 Gap= 0.000 Goal= None Shift= 0.000 RMSDP=4.94D-02 MaxDP=3.29D+00 DE= 2.45D+01 OVMax= 5.85D-01 Cycle 5 Pass 1 IDiag 1: RMSU= 1.48D-02 CP: 9.52D-01 6.53D-03 1.86D-01 2.25D-01 E= -1664.60289893321 Delta-E= -20.618549322374 Rises=F Damp=F DIIS: error= 2.30D-01 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 1 EnMin= -1679.68556934653 IErMin= 2 ErrMin= 3.32D-02 ErrMax= 2.30D-01 EMaxC= 1.00D-01 BMatC= 2.64D+01 BMatP= 4.46D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 100 forward-backward iterations Coeff-En: 0.789D+00 0.373D-02 0.505D-02 0.114D+00 0.883D-01 Coeff: 0.789D+00 0.373D-02 0.505D-02 0.114D+00 0.883D-01 Gap= -0.080 Goal= None Shift= 0.000 RMSDP=1.64D-02 MaxDP=6.26D-01 DE=-2.06D+01 OVMax= 9.32D-01 Cycle 6 Pass 1 IDiag 1: RMSU= 1.31D-02 CP: 9.76D-01 6.74D-03 1.50D-01 2.37D-01 3.42D-01 E= -1679.66359318987 Delta-E= -15.060694256657 Rises=F Damp=F DIIS: error= 1.32D-01 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 1 EnMin= -1679.68556934653 IErMin= 2 ErrMin= 3.32D-02 ErrMax= 1.32D-01 EMaxC= 1.00D-01 BMatC= 4.84D+00 BMatP= 4.46D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 100 forward-backward iterations Coeff-En: 0.479D+00 0.000D+00 0.353D-02 0.000D+00 0.771D-01 0.440D+00 Coeff: 0.479D+00 0.000D+00 0.353D-02 0.000D+00 0.771D-01 0.440D+00 Gap= 0.201 Goal= None Shift= 0.000 RMSDP=1.82D-02 MaxDP=6.97D-01 DE=-1.51D+01 OVMax= 3.99D-01 Cycle 7 Pass 1 IDiag 1: RMSU= 8.94D-03 CP: 9.72D-01 1.82D-03 5.53D-02 8.59D-02 2.04D-01 CP: 8.57D-02 E= -1682.04358598658 Delta-E= -2.379992796708 Rises=F Damp=F DIIS: error= 5.14D-02 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.04358598658 IErMin= 2 ErrMin= 3.32D-02 ErrMax= 5.14D-02 EMaxC= 1.00D-01 BMatC= 9.31D-01 BMatP= 4.46D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 5 forward-backward iterations Coeff-En: 0.126D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.204D+00 Coeff-En: 0.670D+00 Coeff: 0.126D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.204D+00 Coeff: 0.670D+00 Gap= 0.365 Goal= None Shift= 0.000 RMSDP=1.66D-02 MaxDP=6.36D-01 DE=-2.38D+00 OVMax= 6.82D-01 Cycle 8 Pass 1 IDiag 1: RMSU= 9.51D-03 CP: 9.72D-01 3.03D-03 1.17D-01 8.20D-02 3.11D-01 CP: 4.09D-01 -3.97D-01 E= -1679.35317738898 Delta-E= 2.690408597601 Rises=F Damp=F DIIS: error= 1.02D-01 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 7 EnMin= -1682.04358598658 IErMin= 2 ErrMin= 3.32D-02 ErrMax= 1.02D-01 EMaxC= 1.00D-01 BMatC= 5.47D+00 BMatP= 4.46D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.752D+00 0.248D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.752D+00 0.248D+00 Gap= 0.155 Goal= None Shift= 0.000 RMSDP=1.27D-02 MaxDP=4.32D-01 DE= 2.69D+00 OVMax= 6.17D-01 Cycle 9 Pass 1 IDiag 1: RMSU= 7.08D-03 CP: 9.73D-01 2.23D-03 5.26D-02 8.16D-02 2.13D-01 CP: 4.92D-01 4.63D-02 4.24D-02 E= -1681.88485938251 Delta-E= -2.531681993536 Rises=F Damp=F DIIS: error= 5.47D-02 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 7 EnMin= -1682.04358598658 IErMin= 2 ErrMin= 3.32D-02 ErrMax= 5.47D-02 EMaxC= 1.00D-01 BMatC= 1.13D+00 BMatP= 4.46D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 2 forward-backward iterations Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.546D+00 0.138D+00 0.317D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.546D+00 0.138D+00 0.317D+00 Gap= 0.201 Goal= None Shift= 0.000 RMSDP=9.11D-03 MaxDP=2.24D-01 DE=-2.53D+00 OVMax= 1.51D-01 Cycle 10 Pass 1 IDiag 1: RMSU= 3.66D-03 CP: 9.71D-01 8.55D-04 3.31D-02 6.04D-02 2.45D-01 CP: 2.80D-01 2.23D-01 3.01D-01 3.83D-03 E= -1682.59205256209 Delta-E= -0.707193179576 Rises=F Damp=F DIIS: error= 1.68D-02 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.59205256209 IErMin=10 ErrMin= 1.68D-02 ErrMax= 1.68D-02 EMaxC= 1.00D-01 BMatC= 1.97D-01 BMatP= 4.46D-01 IDIUse=3 WtCom= 8.32D-01 WtEn= 1.68D-01 EnCoef did 2 forward-backward iterations Coeff-Com: -0.734D-01 0.466D-01 0.467D-02 0.109D-02-0.472D-02-0.391D-01 Coeff-Com: 0.246D+00-0.155D-01 0.217D+00 0.618D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.217D+00 0.000D+00 0.812D-01 0.702D+00 Coeff: -0.610D-01 0.388D-01 0.389D-02 0.909D-03-0.393D-02-0.325D-01 Coeff: 0.241D+00-0.129D-01 0.194D+00 0.632D+00 Gap= 0.112 Goal= None Shift= 0.000 RMSDP=4.42D-03 MaxDP=8.34D-02 DE=-7.07D-01 OVMax= 1.48D-01 Cycle 11 Pass 1 IDiag 1: RMSU= 3.02D-03 CP: 9.72D-01 9.75D-04 3.15D-02 6.97D-02 2.19D-01 CP: 2.20D-01 4.03D-01 1.75D-01 1.83D-01 4.76D-01 E= -1682.68825537760 Delta-E= -0.096202815509 Rises=F Damp=F DIIS: error= 9.72D-03 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.68825537760 IErMin=11 ErrMin= 9.72D-03 ErrMax= 9.72D-03 EMaxC= 1.00D-01 BMatC= 6.97D-02 BMatP= 1.97D-01 IDIUse=3 WtCom= 9.03D-01 WtEn= 9.72D-02 Coeff-Com: -0.571D-01 0.515D-01 0.179D-03-0.286D-03-0.312D-02-0.992D-02 Coeff-Com: 0.126D+00-0.328D-01 0.106D+00 0.476D+00 0.344D+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 0.261D+00 0.739D+00 Coeff: -0.516D-01 0.465D-01 0.161D-03-0.258D-03-0.282D-02-0.895D-02 Coeff: 0.113D+00-0.296D-01 0.953D-01 0.455D+00 0.382D+00 Gap= 0.086 Goal= None Shift= 0.000 RMSDP=2.50D-03 MaxDP=5.89D-02 DE=-9.62D-02 OVMax= 8.78D-02 Cycle 12 Pass 1 IDiag 1: RMSU= 9.39D-04 CP: 9.71D-01 7.22D-04 2.68D-02 6.05D-02 2.31D-01 CP: 2.17D-01 4.18D-01 1.51D-01 1.39D-01 6.82D-01 CP: 3.17D-01 E= -1682.73271146648 Delta-E= -0.044456088887 Rises=F Damp=F DIIS: error= 7.12D-03 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.73271146648 IErMin=12 ErrMin= 7.12D-03 ErrMax= 7.12D-03 EMaxC= 1.00D-01 BMatC= 1.54D-02 BMatP= 6.97D-02 IDIUse=3 WtCom= 9.29D-01 WtEn= 7.12D-02 Coeff-Com: -0.383D-01 0.481D-01-0.708D-03-0.183D-03-0.172D-02 0.123D-01 Coeff-Com: 0.208D-01-0.110D-01 0.903D-02 0.135D+00 0.272D+00 0.555D+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 0.151D+00 0.849D+00 Coeff: -0.356D-01 0.447D-01-0.657D-03-0.170D-03-0.160D-02 0.114D-01 Coeff: 0.193D-01-0.102D-01 0.838D-02 0.126D+00 0.263D+00 0.576D+00 Gap= 0.080 Goal= None Shift= 0.000 RMSDP=8.99D-04 MaxDP=1.84D-02 DE=-4.45D-02 OVMax= 2.73D-02 Cycle 13 Pass 1 IDiag 1: RMSU= 4.25D-04 CP: 9.71D-01 7.18D-04 2.64D-02 6.34D-02 2.19D-01 CP: 2.31D-01 4.13D-01 1.54D-01 1.31D-01 6.48D-01 CP: 5.08D-01 5.45D-01 E= -1682.73650582664 Delta-E= -0.003794360154 Rises=F Damp=F DIIS: error= 5.77D-03 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.73650582664 IErMin=13 ErrMin= 5.77D-03 ErrMax= 5.77D-03 EMaxC= 1.00D-01 BMatC= 1.16D-02 BMatP= 1.54D-02 IDIUse=3 WtCom= 9.42D-01 WtEn= 5.77D-02 Coeff-Com: -0.429D-01 0.490D-01-0.224D-03 0.321D-03-0.173D-03 0.763D-02 Coeff-Com: 0.173D-02-0.246D-02-0.207D-02 0.398D-01 0.142D+00 0.418D+00 Coeff-Com: 0.389D+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 0.276D+00 Coeff-En: 0.724D+00 Coeff: -0.404D-01 0.462D-01-0.211D-03 0.303D-03-0.163D-03 0.719D-02 Coeff: 0.163D-02-0.231D-02-0.195D-02 0.375D-01 0.134D+00 0.409D+00 Coeff: 0.409D+00 Gap= 0.080 Goal= None Shift= 0.000 RMSDP=3.70D-04 MaxDP=9.70D-03 DE=-3.79D-03 OVMax= 6.07D-03 Cycle 14 Pass 1 IDiag 1: RMSU= 2.13D-04 CP: 9.71D-01 7.03D-04 2.54D-02 6.15D-02 2.22D-01 CP: 2.26D-01 4.04D-01 1.58D-01 1.42D-01 6.45D-01 CP: 5.04D-01 6.46D-01 4.73D-01 E= -1682.73615360684 Delta-E= 0.000352219804 Rises=F Damp=F DIIS: error= 6.48D-03 at cycle 14 NSaved= 14. NSaved=14 IEnMin=13 EnMin= -1682.73650582664 IErMin=13 ErrMin= 5.77D-03 ErrMax= 6.48D-03 EMaxC= 1.00D-01 BMatC= 1.19D-02 BMatP= 1.16D-02 IDIUse=3 WtCom= 9.42D-01 WtEn= 5.77D-02 Rare condition: small coef for last iteration: 0.000D+00 Coeff-Com: -0.468D-01 0.485D-01-0.968D-04 0.534D-03 0.167D-03 0.554D-02 Coeff-Com: 0.373D-02-0.971D-03-0.134D-02 0.206D-01 0.703D-01 0.240D+00 Coeff-Com: 0.317D+00 0.342D+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 0.210D+00 Coeff-En: 0.484D+00 0.307D+00 Coeff: -0.468D-01 0.485D-01-0.968D-04 0.534D-03 0.167D-03 0.554D-02 Coeff: 0.373D-02-0.971D-03-0.134D-02 0.206D-01 0.703D-01 0.240D+00 Coeff: 0.317D+00 0.342D+00 Gap= 0.081 Goal= None Shift= 0.000 RMSDP=2.34D-04 MaxDP=4.34D-03 DE= 3.52D-04 OVMax= 6.47D-03 Cycle 15 Pass 1 IDiag 1: RMSU= 1.30D-04 CP: 9.71D-01 6.69D-04 2.55D-02 5.90D-02 2.20D-01 CP: 2.21D-01 3.98D-01 1.61D-01 1.45D-01 6.51D-01 CP: 4.95D-01 6.70D-01 4.56D-01 5.75D-01 E= -1682.73169585261 Delta-E= 0.004457754227 Rises=F Damp=F DIIS: error= 8.47D-03 at cycle 15 NSaved= 15. NSaved=15 IEnMin=13 EnMin= -1682.73650582664 IErMin=13 ErrMin= 5.77D-03 ErrMax= 8.47D-03 EMaxC= 1.00D-01 BMatC= 1.73D-02 BMatP= 1.16D-02 IDIUse=3 WtCom= 9.42D-01 WtEn= 5.77D-02 EnCoef did 100 forward-backward iterations Rare condition: small coef for last iteration: 0.000D+00 Coeff-Com: -0.366D-01 0.408D-01-0.131D-03 0.506D-03 0.222D-03 0.208D-02 Coeff-Com: -0.295D-02-0.971D-03 0.544D-03 0.391D-01 0.143D+00 0.461D+00 Coeff-Com: 0.553D+00 0.588D+00-0.787D+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 0.541D-01 0.551D+00 Coeff-En: 0.000D+00 0.000D+00 0.395D+00 Coeff: -0.366D-01 0.408D-01-0.131D-03 0.506D-03 0.222D-03 0.208D-02 Coeff: -0.295D-02-0.971D-03 0.544D-03 0.391D-01 0.143D+00 0.461D+00 Coeff: 0.553D+00 0.588D+00-0.787D+00 Gap= 0.080 Goal= None Shift= 0.000 RMSDP=2.55D-04 MaxDP=7.45D-03 DE= 4.46D-03 OVMax= 8.51D-03 Cycle 16 Pass 1 IDiag 1: RMSU= 9.20D-05 CP: 9.71D-01 7.20D-04 2.57D-02 6.22D-02 2.22D-01 CP: 2.25D-01 4.04D-01 1.58D-01 1.43D-01 6.44D-01 CP: 5.06D-01 6.52D-01 5.34D-01 4.85D-01 9.27D-02 E= -1682.73626516901 Delta-E= -0.004569316397 Rises=F Damp=F DIIS: error= 7.19D-03 at cycle 16 NSaved= 16. NSaved=16 IEnMin=13 EnMin= -1682.73650582664 IErMin=13 ErrMin= 5.77D-03 ErrMax= 7.19D-03 EMaxC= 1.00D-01 BMatC= 1.22D-02 BMatP= 1.16D-02 IDIUse=3 WtCom= 9.42D-01 WtEn= 5.77D-02 EnCoef did 100 forward-backward iterations Coeff-Com: -0.137D-01 0.196D-01 0.108D-03 0.458D-03 0.391D-03-0.380D-02 Coeff-Com: -0.967D-02-0.175D-03 0.105D-02 0.503D-01 0.174D+00 0.573D+00 Coeff-Com: 0.708D+00 0.960D+00-0.302D+01 0.156D+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 0.271D+00 Coeff-En: 0.706D+00 0.655D-02 0.000D+00 0.171D-01 Coeff: -0.129D-01 0.185D-01 0.102D-03 0.432D-03 0.369D-03-0.358D-02 Coeff: -0.912D-02-0.165D-03 0.987D-03 0.474D-01 0.164D+00 0.556D+00 Coeff: 0.708D+00 0.905D+00-0.284D+01 0.147D+01 Gap= 0.078 Goal= None Shift= 0.000 RMSDP=7.53D-04 MaxDP=2.11D-02 DE=-4.57D-03 OVMax= 1.83D-02 Cycle 17 Pass 1 IDiag 1: RMSU= 1.99D-04 CP: 9.72D-01 9.08D-04 2.67D-02 7.20D-02 2.32D-01 CP: 2.33D-01 4.14D-01 1.59D-01 1.33D-01 6.40D-01 CP: 5.28D-01 6.35D-01 6.15D-01 4.00D-01 -2.82D+00 CP: 2.27D+00 E= -1682.74524217437 Delta-E= -0.008977005362 Rises=F Damp=F DIIS: error= 2.47D-03 at cycle 17 NSaved= 17. NSaved=17 IEnMin=17 EnMin= -1682.74524217437 IErMin=17 ErrMin= 2.47D-03 ErrMax= 2.47D-03 EMaxC= 1.00D-01 BMatC= 1.43D-03 BMatP= 1.16D-02 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.47D-02 Coeff-Com: 0.316D-03 0.106D-02 0.338D-03 0.169D-03 0.947D-04 0.767D-03 Coeff-Com: -0.859D-03-0.313D-03-0.428D-02 0.114D-01 0.354D-01 0.140D+00 Coeff-Com: 0.312D+00 0.416D+00-0.219D+01 0.158D+01 0.700D+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 0.100D+01 Coeff: 0.309D-03 0.104D-02 0.329D-03 0.165D-03 0.923D-04 0.748D-03 Coeff: -0.838D-03-0.306D-03-0.418D-02 0.111D-01 0.345D-01 0.137D+00 Coeff: 0.304D+00 0.406D+00-0.214D+01 0.154D+01 0.707D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=4.59D-04 MaxDP=1.44D-02 DE=-8.98D-03 OVMax= 1.10D-02 Cycle 18 Pass 1 IDiag 1: RMSU= 2.21D-04 CP: 9.72D-01 1.03D-03 2.78D-02 7.77D-02 2.37D-01 CP: 2.38D-01 4.24D-01 1.55D-01 1.19D-01 6.38D-01 CP: 5.35D-01 6.35D-01 7.19D-01 2.10D-01 -3.00D+00 CP: 3.00D+00 1.09D+00 E= -1682.74641807591 Delta-E= -0.001175901542 Rises=F Damp=F DIIS: error= 4.31D-04 at cycle 18 NSaved= 18. NSaved=18 IEnMin=18 EnMin= -1682.74641807591 IErMin=18 ErrMin= 4.31D-04 ErrMax= 4.31D-04 EMaxC= 1.00D-01 BMatC= 4.28D-05 BMatP= 1.43D-03 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.31D-03 Coeff-Com: 0.114D-02-0.585D-03 0.135D-03 0.661D-04-0.162D-04 0.110D-02 Coeff-Com: 0.522D-03-0.237D-03-0.282D-02 0.156D-02 0.840D-02 0.328D-01 Coeff-Com: 0.147D+00 0.136D+00-0.106D+01 0.833D+00 0.448D+00 0.454D+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: 0.114D-02-0.583D-03 0.135D-03 0.658D-04-0.162D-04 0.109D-02 Coeff: 0.520D-03-0.236D-03-0.280D-02 0.156D-02 0.836D-02 0.326D-01 Coeff: 0.146D+00 0.135D+00-0.106D+01 0.829D+00 0.446D+00 0.456D+00 Gap= 0.076 Goal= None Shift= 0.000 RMSDP=1.02D-04 MaxDP=2.06D-03 DE=-1.18D-03 OVMax= 5.63D-03 Cycle 19 Pass 1 IDiag 1: RMSU= 6.12D-05 CP: 9.72D-01 1.04D-03 2.79D-02 7.82D-02 2.36D-01 CP: 2.40D-01 4.24D-01 1.54D-01 1.19D-01 6.33D-01 CP: 5.48D-01 5.99D-01 7.98D-01 2.03D-01 -3.00D+00 CP: 3.00D+00 1.11D+00 8.70D-01 E= -1682.74647683291 Delta-E= -0.000058756996 Rises=F Damp=F DIIS: error= 1.54D-04 at cycle 19 NSaved= 19. NSaved=19 IEnMin=19 EnMin= -1682.74647683291 IErMin=19 ErrMin= 1.54D-04 ErrMax= 1.54D-04 EMaxC= 1.00D-01 BMatC= 1.31D-05 BMatP= 4.28D-05 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.54D-03 Coeff-Com: 0.372D-03-0.410D-03 0.551D-04 0.332D-04-0.777D-05 0.306D-03 Coeff-Com: 0.568D-03-0.763D-04-0.109D-02-0.771D-03-0.665D-03-0.221D-02 Coeff-Com: 0.491D-01 0.277D-01-0.370D+00 0.331D+00 0.179D+00 0.313D+00 Coeff-Com: 0.474D+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 0.114D+00 Coeff-En: 0.886D+00 Coeff: 0.371D-03-0.409D-03 0.551D-04 0.332D-04-0.775D-05 0.306D-03 Coeff: 0.567D-03-0.762D-04-0.108D-02-0.770D-03-0.664D-03-0.221D-02 Coeff: 0.490D-01 0.276D-01-0.370D+00 0.331D+00 0.179D+00 0.313D+00 Coeff: 0.474D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=2.73D-05 MaxDP=4.53D-04 DE=-5.88D-05 OVMax= 9.47D-04 Cycle 20 Pass 1 IDiag 1: Restarting incremental Fock formation. E= -1682.74648626930 Delta-E= -0.000009436394 Rises=F Damp=F DIIS: error= 7.89D-05 at cycle 20 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74648626930 IErMin=20 ErrMin= 7.89D-05 ErrMax= 7.89D-05 EMaxC= 1.00D-01 BMatC= 2.75D-06 BMatP= 1.31D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.753D-04-0.582D-04 0.156D-04 0.536D-05-0.128D-05 0.288D-04 Coeff-Com: 0.163D-03-0.315D-05-0.310D-03-0.803D-03-0.568D-03-0.372D-02 Coeff-Com: 0.226D-02-0.108D-01-0.214D-01 0.466D-01 0.210D-01 0.124D+00 Coeff-Com: 0.344D+00 0.499D+00 Coeff: -0.753D-04-0.582D-04 0.156D-04 0.536D-05-0.128D-05 0.288D-04 Coeff: 0.163D-03-0.315D-05-0.310D-03-0.803D-03-0.568D-03-0.372D-02 Coeff: 0.226D-02-0.108D-01-0.214D-01 0.466D-01 0.210D-01 0.124D+00 Coeff: 0.344D+00 0.499D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=2.09D-05 MaxDP=7.47D-04 DE=-9.44D-06 OVMax= 7.81D-04 Cycle 21 Pass 1 IDiag 1: RMSU= 2.06D-05 CP: 1.00D+00 E= -1682.74648886453 Delta-E= -0.000002595228 Rises=F Damp=F DIIS: error= 1.48D-05 at cycle 21 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74648886453 IErMin=20 ErrMin= 1.48D-05 ErrMax= 1.48D-05 EMaxC= 1.00D-01 BMatC= 1.15D-07 BMatP= 2.75D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.280D-04-0.216D-04-0.205D-05-0.100D-06 0.143D-04 0.158D-04 Coeff-Com: -0.228D-05-0.135D-03-0.212D-03 0.287D-03-0.151D-02-0.219D-02 Coeff-Com: -0.568D-02 0.623D-02 0.680D-02 0.249D-02 0.377D-01 0.116D+00 Coeff-Com: 0.250D+00 0.591D+00 Coeff: -0.280D-04-0.216D-04-0.205D-05-0.100D-06 0.143D-04 0.158D-04 Coeff: -0.228D-05-0.135D-03-0.212D-03 0.287D-03-0.151D-02-0.219D-02 Coeff: -0.568D-02 0.623D-02 0.680D-02 0.249D-02 0.377D-01 0.116D+00 Coeff: 0.250D+00 0.591D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=4.80D-06 MaxDP=8.57D-05 DE=-2.60D-06 OVMax= 3.17D-04 Cycle 22 Pass 1 IDiag 1: RMSU= 4.17D-06 CP: 1.00D+00 8.85D-01 E= -1682.74648900048 Delta-E= -0.000000135957 Rises=F Damp=F DIIS: error= 9.29D-06 at cycle 22 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74648900048 IErMin=20 ErrMin= 9.29D-06 ErrMax= 9.29D-06 EMaxC= 1.00D-01 BMatC= 5.46D-08 BMatP= 1.15D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.104D-05-0.192D-05-0.409D-05-0.233D-05-0.295D-04 0.128D-05 Coeff-Com: -0.579D-04 0.239D-04 0.405D-03-0.440D-03-0.246D-02-0.139D-02 Coeff-Com: 0.875D-02-0.427D-02-0.211D-02 0.182D-02 0.188D-01 0.109D+00 Coeff-Com: 0.458D+00 0.414D+00 Coeff: -0.104D-05-0.192D-05-0.409D-05-0.233D-05-0.295D-04 0.128D-05 Coeff: -0.579D-04 0.239D-04 0.405D-03-0.440D-03-0.246D-02-0.139D-02 Coeff: 0.875D-02-0.427D-02-0.211D-02 0.182D-02 0.188D-01 0.109D+00 Coeff: 0.458D+00 0.414D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=2.18D-06 MaxDP=4.88D-05 DE=-1.36D-07 OVMax= 9.92D-05 Cycle 23 Pass 1 IDiag 1: RMSU= 2.06D-06 CP: 1.00D+00 9.18D-01 9.60D-01 E= -1682.74648904579 Delta-E= -0.000000045308 Rises=F Damp=F DIIS: error= 2.26D-06 at cycle 23 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74648904579 IErMin=20 ErrMin= 2.26D-06 ErrMax= 2.26D-06 EMaxC= 1.00D-01 BMatC= 4.34D-09 BMatP= 5.46D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.717D-05 0.748D-05-0.163D-05-0.593D-05 0.117D-05-0.102D-04 Coeff-Com: -0.155D-05-0.106D-04-0.597D-03-0.143D-02-0.635D-04 0.730D-02 Coeff-Com: -0.631D-02-0.143D-02-0.626D-02-0.114D-01 0.190D-01 0.142D+00 Coeff-Com: 0.244D+00 0.615D+00 Coeff: -0.717D-05 0.748D-05-0.163D-05-0.593D-05 0.117D-05-0.102D-04 Coeff: -0.155D-05-0.106D-04-0.597D-03-0.143D-02-0.635D-04 0.730D-02 Coeff: -0.631D-02-0.143D-02-0.626D-02-0.114D-01 0.190D-01 0.142D+00 Coeff: 0.244D+00 0.615D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=9.33D-07 MaxDP=1.58D-05 DE=-4.53D-08 OVMax= 4.89D-05 Cycle 24 Pass 1 IDiag 1: RMSU= 8.72D-07 CP: 1.00D+00 9.13D-01 9.68D-01 8.52D-01 E= -1682.74648905071 Delta-E= -0.000000004921 Rises=F Damp=F DIIS: error= 1.83D-06 at cycle 24 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74648905071 IErMin=20 ErrMin= 1.83D-06 ErrMax= 1.83D-06 EMaxC= 1.00D-01 BMatC= 9.14D-10 BMatP= 4.34D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.626D-06-0.638D-06 0.341D-06 0.285D-06 0.505D-06-0.250D-05 Coeff-Com: -0.155D-04-0.205D-03-0.438D-03-0.285D-03 0.224D-02-0.213D-02 Coeff-Com: -0.187D-03-0.313D-02-0.850D-02-0.518D-02 0.290D-01 0.635D-01 Coeff-Com: 0.244D+00 0.681D+00 Coeff: -0.626D-06-0.638D-06 0.341D-06 0.285D-06 0.505D-06-0.250D-05 Coeff: -0.155D-04-0.205D-03-0.438D-03-0.285D-03 0.224D-02-0.213D-02 Coeff: -0.187D-03-0.313D-02-0.850D-02-0.518D-02 0.290D-01 0.635D-01 Coeff: 0.244D+00 0.681D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=4.79D-07 MaxDP=1.09D-05 DE=-4.92D-09 OVMax= 2.68D-05 Cycle 25 Pass 1 IDiag 1: RMSU= 4.03D-07 CP: 1.00D+00 9.07D-01 9.73D-01 8.31D-01 7.43D-01 E= -1682.74648905177 Delta-E= -0.000000001055 Rises=F Damp=F DIIS: error= 8.51D-07 at cycle 25 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74648905177 IErMin=20 ErrMin= 8.51D-07 ErrMax= 8.51D-07 EMaxC= 1.00D-01 BMatC= 7.56D-11 BMatP= 9.14D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.635D-06 0.324D-06 0.104D-05 0.156D-05 0.180D-05-0.238D-05 Coeff-Com: -0.318D-04-0.347D-04-0.837D-04 0.166D-03-0.266D-03 0.173D-04 Coeff-Com: -0.725D-03-0.284D-02-0.679D-02-0.876D-03-0.475D-02 0.338D-01 Coeff-Com: 0.373D+00 0.610D+00 Coeff: -0.635D-06 0.324D-06 0.104D-05 0.156D-05 0.180D-05-0.238D-05 Coeff: -0.318D-04-0.347D-04-0.837D-04 0.166D-03-0.266D-03 0.173D-04 Coeff: -0.725D-03-0.284D-02-0.679D-02-0.876D-03-0.475D-02 0.338D-01 Coeff: 0.373D+00 0.610D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=1.52D-07 MaxDP=2.68D-06 DE=-1.06D-09 OVMax= 1.11D-05 Cycle 26 Pass 1 IDiag 1: RMSU= 1.06D-07 CP: 1.00D+00 9.09D-01 9.67D-01 8.56D-01 8.35D-01 CP: 9.41D-01 E= -1682.74648905196 Delta-E= -0.000000000191 Rises=F Damp=F DIIS: error= 1.54D-07 at cycle 26 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74648905196 IErMin=20 ErrMin= 1.54D-07 ErrMax= 1.54D-07 EMaxC= 1.00D-01 BMatC= 3.66D-12 BMatP= 7.56D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.573D-07-0.299D-07 0.961D-06 0.321D-06-0.170D-05 0.946D-05 Coeff-Com: 0.322D-04-0.943D-05-0.175D-03 0.135D-03 0.894D-05 0.392D-04 Coeff-Com: -0.297D-03-0.179D-02-0.253D-02-0.657D-02-0.105D-01 0.649D-01 Coeff-Com: 0.203D+00 0.753D+00 Coeff: 0.573D-07-0.299D-07 0.961D-06 0.321D-06-0.170D-05 0.946D-05 Coeff: 0.322D-04-0.943D-05-0.175D-03 0.135D-03 0.894D-05 0.392D-04 Coeff: -0.297D-03-0.179D-02-0.253D-02-0.657D-02-0.105D-01 0.649D-01 Coeff: 0.203D+00 0.753D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=3.84D-08 MaxDP=7.62D-07 DE=-1.91D-10 OVMax= 2.58D-06 Cycle 27 Pass 1 IDiag 1: RMSU= 3.47D-08 CP: 1.00D+00 9.09D-01 9.66D-01 8.55D-01 8.37D-01 CP: 9.46D-01 8.58D-01 E= -1682.74648905196 Delta-E= 0.000000000000 Rises=F Damp=F DIIS: error= 7.31D-08 at cycle 27 NSaved= 20. NSaved=20 IEnMin=19 EnMin= -1682.74648905196 IErMin=20 ErrMin= 7.31D-08 ErrMax= 7.31D-08 EMaxC= 1.00D-01 BMatC= 4.99D-13 BMatP= 3.66D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.414D-07 0.282D-06-0.278D-06-0.190D-05 0.325D-05 0.161D-04 Coeff-Com: 0.110D-05-0.933D-04 0.890D-04 0.221D-04 0.881D-04 0.166D-03 Coeff-Com: -0.153D-03-0.116D-02-0.241D-02-0.743D-02-0.430D-02 0.434D-01 Coeff-Com: 0.351D+00 0.621D+00 Coeff: 0.414D-07 0.282D-06-0.278D-06-0.190D-05 0.325D-05 0.161D-04 Coeff: 0.110D-05-0.933D-04 0.890D-04 0.221D-04 0.881D-04 0.166D-03 Coeff: -0.153D-03-0.116D-02-0.241D-02-0.743D-02-0.430D-02 0.434D-01 Coeff: 0.351D+00 0.621D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=1.42D-08 MaxDP=1.94D-07 DE= 4.55D-13 OVMax= 1.31D-06 Cycle 28 Pass 1 IDiag 1: RMSU= 1.21D-08 CP: 1.00D+00 9.09D-01 9.66D-01 8.55D-01 8.41D-01 CP: 9.58D-01 8.79D-01 8.81D-01 E= -1682.74648905193 Delta-E= 0.000000000028 Rises=F Damp=F DIIS: error= 3.42D-08 at cycle 28 NSaved= 20. NSaved=20 IEnMin=18 EnMin= -1682.74648905196 IErMin=20 ErrMin= 3.42D-08 ErrMax= 3.42D-08 EMaxC= 1.00D-01 BMatC= 1.11D-13 BMatP= 4.99D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.719D-07-0.173D-06-0.492D-06 0.799D-06 0.671D-06 0.654D-05 Coeff-Com: -0.129D-04 0.139D-04 0.692D-05 0.250D-04 0.904D-04 0.245D-03 Coeff-Com: -0.229D-03 0.215D-03-0.174D-02-0.146D-01-0.164D-01 0.279D-01 Coeff-Com: 0.312D+00 0.692D+00 Coeff: 0.719D-07-0.173D-06-0.492D-06 0.799D-06 0.671D-06 0.654D-05 Coeff: -0.129D-04 0.139D-04 0.692D-05 0.250D-04 0.904D-04 0.245D-03 Coeff: -0.229D-03 0.215D-03-0.174D-02-0.146D-01-0.164D-01 0.279D-01 Coeff: 0.312D+00 0.692D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=5.90D-09 MaxDP=1.03D-07 DE= 2.82D-11 OVMax= 5.58D-07 SCF Done: E(RB+HF-LYP) = -1682.74648905 A.U. after 28 cycles Convg = 0.5905D-08 -V/T = 2.4864 S**2 = 0.0000 KE= 1.132122224167D+03 PE=-8.333472499668D+03 EE= 3.406697751794D+03 Leave Link 502 at Sat Apr 12 10:10:05 2008, MaxMem= 12582912 cpu: 623.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27411 -10.35428 -4.34375 -4.30933 -4.29639 Alpha occ. eigenvalues -- -4.29430 -4.28933 -4.28802 -4.28738 -4.28696 Alpha occ. eigenvalues -- -2.85534 -2.84780 -2.84672 -2.81851 -2.81607 Alpha occ. eigenvalues -- -2.81433 -2.80478 -2.80381 -2.80280 -2.80196 Alpha occ. eigenvalues -- -2.80165 -2.80006 -2.79781 -2.79745 -2.79690 Alpha occ. eigenvalues -- -2.79654 -2.79549 -2.79528 -2.79473 -2.79464 Alpha occ. eigenvalues -- -2.79388 -2.79379 -2.79307 -2.79276 -1.19046 Alpha occ. eigenvalues -- -0.58944 -0.48623 -0.48596 -0.47709 -0.36396 Alpha occ. eigenvalues -- -0.34078 -0.33414 -0.32671 -0.32393 -0.32241 Alpha occ. eigenvalues -- -0.32174 -0.31518 -0.31325 -0.30804 -0.30140 Alpha occ. eigenvalues -- -0.29755 -0.29453 -0.29217 -0.29103 -0.28803 Alpha occ. eigenvalues -- -0.28540 -0.28353 -0.28121 -0.27848 -0.27663 Alpha occ. eigenvalues -- -0.27540 -0.27123 -0.26982 -0.26740 -0.26529 Alpha occ. eigenvalues -- -0.26513 -0.26357 -0.26311 -0.26220 -0.26061 Alpha occ. eigenvalues -- -0.25952 -0.25859 -0.25749 -0.25666 -0.25440 Alpha occ. eigenvalues -- -0.25340 -0.25156 -0.25068 -0.24940 -0.24696 Alpha occ. eigenvalues -- -0.22022 -0.19551 -0.17704 Alpha virt. eigenvalues -- -0.10042 -0.08849 -0.08178 -0.07484 -0.05765 Alpha virt. eigenvalues -- -0.04991 -0.03818 -0.02482 -0.01851 -0.00348 Alpha virt. eigenvalues -- 0.00349 0.01709 0.01819 0.02573 0.02993 Alpha virt. eigenvalues -- 0.03391 0.03596 0.04058 0.04143 0.04411 Alpha virt. eigenvalues -- 0.04890 0.05361 0.05578 0.05684 0.06340 Alpha virt. eigenvalues -- 0.07223 0.07683 0.07830 0.08196 0.08368 Alpha virt. eigenvalues -- 0.08453 0.08762 0.08988 0.09490 0.10253 Alpha virt. eigenvalues -- 0.10380 0.10641 0.12663 0.14263 0.15113 Alpha virt. eigenvalues -- 0.17472 0.18474 0.19840 0.20503 0.22147 Alpha virt. eigenvalues -- 0.24202 0.25582 0.26913 0.26988 0.27995 Alpha virt. eigenvalues -- 0.29351 0.30303 0.31203 0.33141 0.33637 Alpha virt. eigenvalues -- 0.38706 0.41188 0.53429 0.62043 0.64335 Alpha virt. eigenvalues -- 0.64668 0.65533 0.66973 0.67933 0.71014 Alpha virt. eigenvalues -- 0.72095 0.73992 0.74648 0.75095 0.77018 Alpha virt. eigenvalues -- 0.78431 0.78707 0.80472 0.83430 0.84999 Alpha virt. eigenvalues -- 0.85916 0.86797 0.88100 0.89653 0.92902 Alpha virt. eigenvalues -- 0.96227 0.97733 0.99882 1.03462 1.03965 Alpha virt. eigenvalues -- 1.04651 1.06222 1.08739 1.11117 1.13641 Alpha virt. eigenvalues -- 1.18587 1.23475 1.24434 1.26938 1.27359 Alpha virt. eigenvalues -- 1.29437 1.30052 1.30809 1.32597 1.33153 Alpha virt. eigenvalues -- 1.34633 1.37914 1.61211 1.62791 1.85521 Alpha virt. eigenvalues -- 1.87851 1.99217 2.05914 3.09999 4.17435 Alpha virt. eigenvalues -- 10.44262 Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.27411 -10.35428 -4.34375 -4.30933 -4.29639 1 1 Cu 1S -0.00005 0.00047 0.00090 1.00111 -0.00769 2 2S -0.00007 0.00074 -0.00128 0.00747 -0.00139 3 3S -0.00077 0.00457 -0.00428 0.01636 0.00078 4 4PX 0.00000 0.00001 -0.00001 0.00048 0.00010 5 4PY 0.00000 -0.00001 0.00013 0.00136 0.00006 6 4PZ 0.00000 0.00000 0.00001 -0.00041 0.00009 7 5PX 0.00002 -0.00019 -0.00012 -0.00395 0.00087 8 5PY 0.00012 -0.00202 0.00331 -0.00346 0.00038 9 5PZ -0.00001 -0.00028 0.00064 0.00058 0.00045 10 6PX -0.00046 -0.00175 0.00317 -0.00367 -0.00010 11 6PY 0.00078 0.00084 -0.00172 -0.00298 0.00012 12 6PZ -0.00030 0.00117 0.00051 0.00174 -0.00043 13 7D 0 0.00000 0.00001 0.00001 0.00061 -0.00001 14 7D+1 0.00000 0.00000 0.00000 -0.00003 -0.00004 15 7D-1 0.00000 0.00000 -0.00001 0.00038 -0.00004 16 7D+2 0.00000 0.00002 0.00004 -0.00015 -0.00002 17 7D-2 0.00000 0.00001 -0.00001 -0.00041 -0.00002 18 8D 0 0.00000 -0.00012 0.00015 -0.00042 0.00005 19 8D+1 0.00000 0.00000 0.00000 0.00008 0.00002 20 8D-1 -0.00001 0.00004 -0.00002 -0.00021 0.00007 21 8D+2 -0.00001 -0.00015 0.00009 0.00005 0.00002 22 8D-2 0.00002 -0.00003 0.00006 0.00033 -0.00003 23 2 Cu 1S 0.00034 0.00186 0.99882 -0.00293 -0.00199 24 2S 0.00043 0.00281 0.00350 -0.00143 -0.00128 25 3S 0.00079 0.00046 0.01352 -0.00191 -0.00208 26 4PX 0.00001 0.00002 0.00151 0.00000 0.00006 27 4PY -0.00003 -0.00010 -0.00190 -0.00010 -0.00008 28 4PZ 0.00000 -0.00001 -0.00125 -0.00001 0.00001 29 5PX -0.00005 0.00241 -0.00470 -0.00083 0.00102 30 5PY 0.00029 -0.00767 0.01343 -0.00162 0.00034 31 5PZ -0.00001 -0.00202 0.00238 0.00038 0.00163 32 6PX -0.00038 -0.00041 -0.00020 -0.00043 0.00072 33 6PY 0.00153 0.00093 -0.00183 -0.00082 -0.00040 34 6PZ 0.00024 0.00007 -0.00121 -0.00023 0.00043 35 7D 0 -0.00002 0.00000 -0.00065 0.00002 -0.00001 36 7D+1 0.00000 0.00001 -0.00011 0.00000 -0.00001 37 7D-1 0.00001 -0.00001 0.00046 -0.00002 0.00002 38 7D+2 -0.00003 0.00001 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-0.00473 27 4PY 0.00849 -0.00334 -0.00537 0.00198 0.00217 28 4PZ 0.00129 0.00082 0.00471 0.00075 0.00398 29 5PX -0.00349 0.00551 0.00203 -0.00051 -0.00256 30 5PY 0.01663 -0.00466 0.00340 -0.00669 0.00107 31 5PZ 0.00321 0.00161 0.00589 -0.00042 0.00109 32 6PX 0.00139 -0.00018 -0.00360 0.00336 -0.00031 33 6PY 0.00209 -0.00081 -0.00380 0.00315 0.00110 34 6PZ -0.00365 0.00917 -0.00118 0.00290 0.00277 35 7D 0 -0.00014 -0.00001 0.00008 -0.00002 -0.00004 36 7D+1 0.00000 -0.00001 -0.00011 -0.00005 -0.00021 37 7D-1 0.00005 0.00004 0.00020 -0.00003 0.00021 38 7D+2 -0.00025 -0.00002 -0.00006 0.00003 0.00011 39 7D-2 -0.00001 0.00010 0.00023 -0.00018 -0.00012 40 8D 0 0.00084 0.00027 -0.00057 0.00000 0.00016 41 8D+1 0.00004 0.00000 0.00039 0.00047 0.00129 42 8D-1 -0.00030 -0.00019 -0.00091 0.00022 -0.00137 43 8D+2 0.00152 0.00009 0.00038 0.00003 -0.00069 44 8D-2 -0.00003 -0.00036 -0.00116 0.00094 0.00077 45 3 Cu 1S 0.00055 -0.00048 -0.00144 -0.00109 0.00031 46 2S 0.00142 -0.00099 -0.00096 -0.00099 0.00005 47 3S 0.00671 -0.00479 -0.00786 -0.01414 -0.00063 48 4PX 0.00067 0.00516 -0.04955 -0.03320 0.02433 49 4PY 0.00623 0.00080 -0.00728 0.00114 -0.00068 50 4PZ 0.00790 0.00258 0.02231 0.01540 -0.00888 51 5PX -0.00220 0.00282 0.00284 0.00317 0.00006 52 5PY 0.00085 -0.00121 -0.00014 -0.00160 0.00116 53 5PZ 0.00250 -0.00125 0.00222 -0.00076 -0.00067 54 6PX 0.00060 0.00142 -0.00596 -0.00079 0.00292 55 6PY 0.00396 -0.00434 -0.00807 0.00062 -0.00160 56 6PZ 0.00195 0.00408 -0.00756 -0.00643 0.00183 57 7D 0 -0.00011 -0.00004 0.00011 0.00004 -0.00007 58 7D+1 0.00009 -0.00011 0.00031 0.00016 -0.00018 59 7D-1 -0.00009 0.00001 0.00005 0.00000 -0.00003 60 7D+2 0.00001 0.00006 -0.00030 -0.00020 0.00018 61 7D-2 0.00009 -0.00004 -0.00001 -0.00008 0.00006 62 8D 0 0.00058 0.00001 -0.00060 -0.00027 0.00038 63 8D+1 -0.00081 0.00087 -0.00079 -0.00024 0.00068 64 8D-1 0.00034 -0.00013 -0.00010 -0.00018 0.00023 65 8D+2 0.00014 -0.00028 0.00114 0.00077 -0.00077 66 8D-2 -0.00052 0.00032 -0.00019 0.00071 -0.00051 67 4 Cu 1S 0.00222 0.00114 -0.00019 0.00058 0.00244 68 2S 0.00177 -0.00428 -0.00143 -0.00148 -0.00066 69 3S 0.00603 0.04595 0.02730 0.02548 0.01044 70 4PX -0.02646 0.15163 0.83960 0.43951 -0.24164 71 4PY -0.01468 0.18775 -0.53022 0.70535 -0.41664 72 4PZ -0.03417 0.91926 -0.02648 -0.04652 0.35883 73 5PX 0.00109 0.00982 0.02439 0.01058 -0.00613 74 5PY 0.00259 0.00548 -0.01283 0.01428 -0.00990 75 5PZ 0.00119 0.02763 0.00307 0.00174 0.00849 76 6PX 0.00181 0.00605 -0.02228 -0.00079 0.00883 77 6PY 0.00046 -0.00431 0.01526 -0.00706 0.00918 78 6PZ 0.00095 -0.00363 0.01521 0.00914 -0.00449 79 7D 0 0.00008 -0.00237 0.00035 0.00061 -0.00058 80 7D+1 0.00030 -0.00104 -0.00186 -0.00094 0.00024 81 7D-1 0.00014 -0.00050 0.00119 -0.00161 0.00075 82 7D+2 0.00013 -0.00012 -0.00065 -0.00024 0.00006 83 7D-2 0.00011 -0.00012 0.00032 -0.00056 0.00033 84 8D 0 0.00017 0.00098 -0.00010 -0.00177 -0.00282 85 8D+1 -0.00106 0.00035 0.00015 -0.00009 0.00053 86 8D-1 -0.00049 -0.00004 -0.00016 0.00037 0.00073 87 8D+2 -0.00068 0.00018 0.00054 0.00031 0.00014 88 8D-2 -0.00057 -0.00041 -0.00026 -0.00012 -0.00008 89 5 Cu 1S 0.00191 0.00079 -0.00004 0.00061 0.00032 90 2S 0.00189 0.00078 -0.00005 0.00147 0.00075 91 3S 0.01181 0.00416 0.00532 -0.00021 0.00414 92 4PX 0.00629 0.01310 -0.00247 -0.02438 -0.01589 93 4PY -0.00897 -0.00152 -0.00007 0.00348 0.00448 94 4PZ 0.01627 0.00670 -0.00065 -0.00849 0.00264 95 5PX -0.00059 0.00112 -0.00015 -0.00126 -0.00220 96 5PY 0.00314 -0.00019 0.00111 0.00088 -0.00008 97 5PZ -0.00262 -0.00033 0.00011 -0.00216 -0.00092 98 6PX -0.00002 0.00102 0.00040 -0.00379 -0.00221 99 6PY 0.00060 0.00564 0.00018 -0.00195 0.00189 100 6PZ -0.00274 -0.00185 -0.00316 0.00328 0.00256 101 7D 0 0.00013 -0.00003 -0.00001 -0.00002 0.00005 102 7D+1 0.00005 0.00008 -0.00001 -0.00018 -0.00015 103 7D-1 -0.00012 0.00003 0.00002 0.00005 -0.00001 104 7D+2 -0.00004 0.00006 -0.00001 -0.00010 -0.00008 105 7D-2 -0.00001 -0.00001 0.00000 0.00004 0.00002 106 8D 0 -0.00055 0.00020 0.00003 0.00027 -0.00001 107 8D+1 0.00013 -0.00028 0.00005 0.00086 0.00087 108 8D-1 0.00059 -0.00024 -0.00017 -0.00027 0.00018 109 8D+2 0.00040 -0.00025 0.00007 0.00038 0.00032 110 8D-2 -0.00019 0.00005 0.00001 -0.00015 0.00002 111 6 Cu 1S 0.00234 -0.00202 0.00100 -0.00011 0.00050 112 2S 0.00253 -0.00152 0.00001 0.00018 0.00066 113 3S 0.01570 -0.00990 0.00199 -0.00947 0.00362 114 4PX -0.01293 0.01476 -0.00988 0.00634 -0.00434 115 4PY 0.00852 -0.03547 0.03006 -0.00492 0.00409 116 4PZ -0.00031 -0.01806 0.02441 -0.01535 0.00804 117 5PX 0.00560 0.00022 -0.00259 -0.00233 0.00087 118 5PY -0.00220 0.00210 0.00047 -0.00052 -0.00092 119 5PZ 0.00017 0.00179 -0.00098 0.00156 0.00042 120 6PX 0.00171 -0.00516 0.00811 0.00026 -0.00162 121 6PY -0.00136 -0.00022 0.00379 0.00509 -0.00332 122 6PZ 0.00094 0.00072 0.01256 -0.00131 0.00312 123 7D 0 -0.00010 0.00006 -0.00008 0.00006 -0.00001 124 7D+1 0.00001 0.00010 -0.00017 0.00005 -0.00004 125 7D-1 0.00002 -0.00018 0.00026 -0.00020 0.00004 126 7D+2 0.00012 0.00018 -0.00016 0.00007 -0.00001 127 7D-2 -0.00008 0.00019 -0.00025 0.00005 0.00000 128 8D 0 0.00033 0.00019 0.00031 -0.00037 0.00000 129 8D+1 0.00001 -0.00037 0.00085 -0.00002 0.00005 130 8D-1 -0.00018 0.00091 -0.00130 0.00114 0.00007 131 8D+2 -0.00070 -0.00073 0.00065 -0.00064 0.00013 132 8D-2 -0.00011 -0.00049 0.00123 -0.00010 -0.00024 133 7 Cu 1S 0.00248 -0.00132 -0.00009 -0.00087 -0.00227 134 2S 0.00205 -0.00094 -0.00050 0.00093 0.00320 135 3S 0.00243 -0.00191 -0.00764 -0.01669 -0.03161 136 4PX -0.02282 0.03044 0.03249 -0.06955 -0.28448 137 4PY -0.01656 0.03746 -0.02848 0.02164 0.14099 138 4PZ 0.01298 -0.28651 0.00852 0.54087 0.73007 139 5PX 0.00206 0.00373 -0.00125 -0.00499 -0.01004 140 5PY 0.00282 0.00113 -0.00070 -0.00185 0.00235 141 5PZ -0.00087 -0.00463 0.00206 0.01427 0.01800 142 6PX 0.00120 0.00088 0.00549 -0.00284 -0.00436 143 6PY -0.00138 -0.00011 0.00050 0.00141 -0.01097 144 6PZ 0.00047 0.00889 0.00594 -0.00845 -0.01043 145 7D 0 -0.00009 -0.00082 0.00008 0.00100 0.00064 146 7D+1 -0.00016 0.00063 0.00000 -0.00096 -0.00142 147 7D-1 -0.00011 0.00023 -0.00005 -0.00001 0.00036 148 7D+2 0.00011 -0.00005 -0.00004 0.00013 0.00048 149 7D-2 0.00019 -0.00007 0.00003 0.00001 -0.00018 150 8D 0 0.00032 0.00234 -0.00024 -0.00079 0.00214 151 8D+1 0.00034 -0.00097 0.00056 0.00057 -0.00050 152 8D-1 0.00030 -0.00120 -0.00019 0.00093 -0.00055 153 8D+2 -0.00035 -0.00004 -0.00011 0.00001 -0.00044 154 8D-2 -0.00041 0.00002 0.00005 -0.00021 -0.00007 155 8 Cu 1S 0.00177 0.00072 0.00016 0.00019 -0.00009 156 2S 0.00211 0.00101 0.00037 0.00038 -0.00004 157 3S 0.00351 0.01061 0.00655 0.00743 -0.00561 158 4PX 0.00018 0.00183 -0.00049 0.00032 -0.00276 159 4PY 0.00785 0.00227 -0.00007 -0.00442 -0.00646 160 4PZ 0.00857 0.00194 -0.00323 -0.00169 -0.00365 161 5PX 0.00070 0.00017 -0.00055 0.00064 0.00009 162 5PY -0.00150 -0.00112 -0.00016 0.00003 0.00033 163 5PZ -0.00145 -0.00151 -0.00126 -0.00271 0.00074 164 6PX 0.00262 0.00156 0.00630 -0.00234 -0.00361 165 6PY 0.00049 0.00042 -0.00117 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-0.00120 -0.00141 -0.00065 0.00010 186 10 O 1S 0.00000 0.00001 0.00002 -0.00001 -0.00001 187 2S -0.00009 0.00023 0.00053 -0.00030 -0.00020 188 3S 0.00042 -0.00102 -0.00219 0.00131 0.00091 189 4PX -0.00007 -0.00004 0.00005 0.00001 0.00001 190 4PY 0.00016 -0.00002 -0.00005 0.00007 0.00007 191 4PZ 0.00004 -0.00002 -0.00004 -0.00002 0.00005 192 5PX 0.00054 0.00031 0.00011 -0.00032 -0.00020 193 5PY -0.00111 -0.00001 -0.00045 0.00023 -0.00012 194 5PZ -0.00035 0.00020 0.00032 0.00022 -0.00011 21 22 23 24 25 O O O O O EIGENVALUES -- -2.80165 -2.80006 -2.79781 -2.79745 -2.79690 1 1 Cu 1S -0.00062 -0.00147 0.00117 -0.00089 0.00096 2 2S -0.00054 -0.00025 -0.00078 0.00194 -0.00160 3 3S -0.01458 -0.00947 0.03500 -0.03945 0.01537 4 4PX 0.00342 0.02238 0.00153 -0.01157 -0.02658 5 4PY 0.00969 0.01571 -0.02061 0.01275 0.02424 6 4PZ -0.00874 -0.01499 0.03101 0.03196 0.03997 7 5PX 0.00010 0.00390 0.00109 0.00007 -0.00276 8 5PY 0.00556 0.00021 -0.00503 0.00391 0.00489 9 5PZ -0.00225 -0.00192 -0.00001 0.00347 0.00477 10 6PX 0.00818 -0.00435 0.00526 -0.01073 -0.02287 11 6PY -0.00508 0.01541 -0.01400 0.01820 0.01891 12 6PZ 0.00946 0.01370 -0.00419 0.03432 0.04704 13 7D 0 0.00001 0.00009 0.00030 -0.00043 0.00020 14 7D+1 0.00001 0.00008 -0.00003 0.00033 -0.00031 15 7D-1 0.00001 0.00012 -0.00034 -0.00046 0.00029 16 7D+2 -0.00011 0.00001 -0.00018 0.00004 0.00010 17 7D-2 -0.00003 -0.00014 -0.00006 0.00014 -0.00021 18 8D 0 0.00001 -0.00041 -0.00190 0.00313 -0.00162 19 8D+1 0.00009 -0.00016 0.00016 -0.00253 0.00217 20 8D-1 0.00009 -0.00044 0.00216 0.00327 -0.00206 21 8D+2 0.00092 -0.00046 0.00105 -0.00020 -0.00043 22 8D-2 -0.00001 0.00048 0.00037 -0.00102 0.00126 23 2 Cu 1S -0.00133 0.00043 0.00059 -0.00076 -0.00140 24 2S 0.00001 0.00038 -0.00005 0.00003 -0.00132 25 3S -0.00705 -0.01444 0.00919 -0.00989 -0.00303 26 4PX 0.00750 -0.00098 0.00066 -0.00212 -0.00068 27 4PY -0.00393 -0.00086 0.00266 -0.00490 -0.00214 28 4PZ -0.00621 -0.00066 0.00478 0.00576 -0.00197 29 5PX 0.00183 0.00632 0.00261 -0.00274 -0.00282 30 5PY 0.00414 -0.01324 0.00036 -0.00023 0.00042 31 5PZ -0.00306 -0.00578 0.00267 0.00170 0.00145 32 6PX -0.00148 0.00579 0.00114 0.00188 0.00993 33 6PY -0.00383 0.00472 0.00027 0.00080 -0.00172 34 6PZ 0.00079 -0.00367 0.00139 -0.00408 -0.00579 35 7D 0 0.00005 0.00001 0.00015 -0.00004 -0.00013 36 7D+1 0.00016 -0.00006 0.00005 0.00011 -0.00001 37 7D-1 -0.00015 0.00001 0.00016 0.00027 -0.00003 38 7D+2 -0.00014 0.00006 -0.00004 0.00007 -0.00002 39 7D-2 0.00024 -0.00005 0.00003 -0.00011 -0.00006 40 8D 0 -0.00047 -0.00016 -0.00086 0.00021 0.00068 41 8D+1 -0.00079 0.00038 -0.00036 -0.00058 0.00002 42 8D-1 0.00076 -0.00019 -0.00078 -0.00136 0.00025 43 8D+2 0.00083 -0.00029 0.00016 -0.00024 0.00019 44 8D-2 -0.00149 0.00039 -0.00021 0.00056 0.00031 45 3 Cu 1S 0.00014 0.00047 -0.00072 0.00189 0.00082 46 2S 0.00003 0.00067 -0.00091 -0.00601 0.00025 47 3S 0.00495 0.00836 -0.01424 0.05824 0.02543 48 4PX 0.00994 0.00127 0.01527 -0.58031 -0.10184 49 4PY 0.00072 0.00202 -0.00441 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8D+2 0.00185 0.00057 0.00059 -0.00002 0.00018 110 8D-2 -0.00026 0.00009 0.00054 -0.00009 0.00036 111 6 Cu 1S 0.00101 -0.00183 -0.00102 0.00064 0.00126 112 2S 0.00029 -0.00159 -0.00158 0.00120 0.00189 113 3S 0.00241 -0.00443 -0.00318 0.00578 -0.00537 114 4PX -0.01239 0.03591 0.00447 0.01925 -0.16027 115 4PY 0.04816 -0.06941 -0.00693 -0.00700 0.07154 116 4PZ -0.01928 0.03374 -0.00008 0.01863 -0.14877 117 5PX -0.00191 0.00262 -0.00026 0.00300 -0.00279 118 5PY 0.00088 0.00211 0.00081 -0.00093 0.00451 119 5PZ 0.00000 -0.00109 0.00000 -0.00057 -0.00182 120 6PX 0.00758 -0.00312 0.00061 0.00024 -0.00227 121 6PY 0.00228 -0.00077 0.00511 -0.00402 -0.00536 122 6PZ -0.00215 0.00022 -0.00045 -0.00579 -0.00255 123 7D 0 -0.00017 0.00014 0.00000 0.00001 0.00001 124 7D+1 0.00011 -0.00014 -0.00003 -0.00002 0.00056 125 7D-1 -0.00023 0.00025 -0.00001 0.00001 -0.00025 126 7D+2 -0.00028 0.00023 0.00000 -0.00007 0.00025 127 7D-2 -0.00025 0.00026 -0.00002 0.00010 -0.00033 128 8D 0 0.00080 -0.00041 0.00003 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12 6PZ 0.01600 0.03728 0.00935 0.02713 0.00852 13 7D 0 0.00011 0.00030 -0.00004 -0.00024 -0.00004 14 7D+1 -0.00010 -0.00011 -0.00005 0.00018 -0.00010 15 7D-1 0.00005 0.00000 0.00031 -0.00026 0.00010 16 7D+2 0.00007 -0.00028 0.00005 0.00002 0.00015 17 7D-2 -0.00007 0.00012 0.00004 0.00008 -0.00013 18 8D 0 -0.00116 -0.00175 0.00009 0.00162 0.00019 19 8D+1 0.00080 0.00099 0.00016 -0.00114 0.00097 20 8D-1 -0.00045 -0.00024 -0.00203 0.00207 -0.00074 21 8D+2 -0.00054 0.00145 -0.00048 -0.00031 -0.00084 22 8D-2 0.00027 -0.00048 -0.00008 -0.00056 0.00086 23 2 Cu 1S 0.00033 0.00064 0.00062 -0.00010 -0.00021 24 2S -0.00082 0.00114 0.00051 -0.00087 -0.00064 25 3S 0.01099 0.00410 0.00208 0.00759 -0.00704 26 4PX 0.00085 0.00011 -0.00018 0.00089 0.00014 27 4PY 0.00243 0.00022 0.00066 0.00209 0.00036 28 4PZ 0.00630 -0.00013 0.00242 -0.00354 0.00026 29 5PX 0.00443 0.00006 -0.00079 -0.00090 0.00045 30 5PY -0.00675 0.00145 -0.00102 -0.00013 -0.00376 31 5PZ -0.00036 -0.00026 0.00188 0.00070 0.00043 32 6PX 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0.00626 0.07284 18 8D 0 0.00051 -0.00073 0.00041 -0.00261 0.00915 19 8D+1 0.00009 -0.00008 0.00010 -0.00055 -0.02404 20 8D-1 -0.00047 0.00137 0.00013 0.00131 0.02189 21 8D+2 0.00174 -0.00150 0.00081 -0.00476 0.00659 22 8D-2 -0.00006 0.00035 0.00039 0.00245 0.02620 23 2 Cu 1S -0.01235 -0.00418 0.00175 -0.01010 -0.00439 24 2S 0.08130 0.04331 -0.01633 0.17651 0.12365 25 3S -0.16730 -0.03108 0.00612 -0.14335 0.04768 26 4PX -0.00988 -0.00135 -0.00658 -0.01800 0.01921 27 4PY 0.03376 0.01779 -0.00716 0.05342 -0.05287 28 4PZ 0.00755 -0.00468 -0.00537 0.01522 -0.00760 29 5PX 0.00605 0.00278 0.00307 0.03072 -0.01954 30 5PY -0.02430 -0.01555 0.00380 -0.08083 0.05395 31 5PZ 0.00028 0.00204 0.00523 -0.02702 0.00357 32 6PX -0.00089 -0.01818 0.06046 0.04232 -0.01688 33 6PY 0.03884 -0.04942 0.01325 -0.08613 0.02528 34 6PZ 0.00530 0.12064 0.04070 -0.04007 0.03284 35 7D 0 -0.03570 -0.04896 -0.00027 -0.10122 0.01097 36 7D+1 -0.00838 0.01383 -0.00180 -0.03458 -0.01095 37 7D-1 0.02776 -0.02901 -0.03826 0.09825 -0.06083 38 7D+2 -0.05807 -0.06958 0.04411 -0.16355 -0.01711 39 7D-2 -0.03730 -0.01483 -0.04253 -0.12771 -0.06739 40 8D 0 -0.01664 -0.01217 -0.00003 -0.02998 0.00055 41 8D+1 -0.00386 0.00329 -0.00034 -0.00997 -0.00409 42 8D-1 0.01284 -0.00770 -0.00950 0.02823 -0.01895 43 8D+2 -0.02637 -0.01770 0.01106 -0.04942 -0.01167 44 8D-2 -0.01673 -0.00391 -0.01045 -0.03791 -0.02563 45 3 Cu 1S 0.00100 -0.00043 0.00027 -0.00197 -0.00768 46 2S 0.00609 0.00094 -0.00101 0.01886 0.11566 47 3S 0.02897 0.00029 0.00999 0.02332 0.06451 48 4PX 0.00037 0.00064 -0.00039 0.00225 0.01691 49 4PY 0.00103 -0.00018 -0.00023 0.00363 -0.00099 50 4PZ -0.00103 -0.00098 0.00025 -0.00407 -0.02146 51 5PX -0.00078 0.00231 0.00018 -0.00095 -0.01887 52 5PY -0.00486 -0.00227 -0.00024 -0.00896 0.01195 53 5PZ 0.00946 -0.00223 0.00144 0.00651 0.03412 54 6PX 0.00125 0.00518 -0.00274 -0.00680 -0.02757 55 6PY -0.02171 -0.02830 0.00566 0.02956 -0.05272 56 6PZ 0.01265 -0.00549 -0.00309 0.00106 -0.00894 57 7D 0 0.00003 0.00289 -0.00039 0.00189 0.05036 58 7D+1 -0.00104 -0.00281 0.00070 -0.00662 -0.09636 59 7D-1 -0.00187 -0.00121 0.00010 -0.00644 0.01006 60 7D+2 -0.00137 0.00203 0.00030 -0.00313 0.03754 61 7D-2 0.00068 0.00101 -0.00114 0.00231 0.00401 62 8D 0 0.00057 0.00109 -0.00024 0.00112 0.01644 63 8D+1 -0.00062 -0.00065 0.00006 -0.00253 -0.03257 64 8D-1 -0.00077 0.00027 -0.00022 -0.00123 0.00311 65 8D+2 -0.00024 0.00129 -0.00009 -0.00077 0.01257 66 8D-2 0.00001 0.00015 -0.00021 0.00061 0.00283 67 4 Cu 1S 0.00121 -0.00047 0.00015 -0.00230 -0.01283 68 2S 0.00555 0.00478 -0.00166 0.02001 0.19417 69 3S 0.02780 0.01825 0.01892 0.02764 -0.02191 70 4PX -0.00090 -0.00116 0.00023 -0.00463 -0.02281 71 4PY 0.00062 0.00041 -0.00035 0.00206 -0.00552 72 4PZ -0.00075 -0.00125 0.00003 -0.00425 -0.03291 73 5PX 0.00681 0.00306 0.00092 0.00779 0.02816 74 5PY -0.00393 -0.00165 0.00027 -0.00728 0.00677 75 5PZ 0.00663 0.00225 0.00228 0.00467 0.03646 76 6PX 0.01751 0.02503 0.01957 -0.00669 -0.04398 77 6PY -0.02000 -0.03913 -0.03130 0.01109 0.01196 78 6PZ -0.00083 -0.01028 -0.00961 0.00292 -0.00621 79 7D 0 -0.00012 0.00022 0.00057 0.00220 0.07546 80 7D+1 0.00179 0.00341 0.00023 0.01096 0.09201 81 7D-1 -0.00111 -0.00155 -0.00053 -0.00457 0.03968 82 7D+2 0.00046 0.00168 0.00052 0.00442 0.05460 83 7D-2 -0.00170 -0.00144 0.00012 -0.00653 -0.00195 84 8D 0 0.00010 0.00010 0.00016 0.00152 0.02643 85 8D+1 0.00081 0.00102 0.00018 0.00382 0.03315 86 8D-1 -0.00003 -0.00016 -0.00034 -0.00095 0.01444 87 8D+2 -0.00001 0.00093 -0.00001 0.00198 0.02065 88 8D-2 -0.00008 -0.00043 -0.00019 -0.00148 -0.00165 89 5 Cu 1S 0.00073 -0.00048 0.00032 -0.00183 -0.01114 90 2S 0.00493 0.00463 -0.00117 0.01823 0.14157 91 3S 0.04680 -0.00595 -0.01746 0.03148 -0.02434 92 4PX 0.00016 0.00023 -0.00029 0.00162 0.01606 93 4PY 0.00033 0.00058 0.00015 0.00100 -0.01182 94 4PZ 0.00122 0.00119 -0.00065 0.00578 0.02403 95 5PX -0.00036 -0.00017 0.00076 0.00005 -0.00835 96 5PY 0.00205 -0.00109 -0.00057 -0.00718 0.00737 97 5PZ -0.00979 -0.00148 0.00160 -0.01283 -0.01526 98 6PX 0.01411 -0.01179 -0.01763 -0.01418 0.01535 99 6PY -0.02899 0.06092 0.02416 0.01553 -0.01328 100 6PZ -0.03655 0.02154 0.00985 0.01367 0.00485 101 7D 0 0.00199 0.00109 -0.00235 0.01152 0.03997 102 7D+1 0.00066 0.00043 -0.00076 0.00582 0.08543 103 7D-1 0.00150 0.00092 -0.00017 0.00364 -0.05030 104 7D+2 -0.00052 -0.00108 -0.00016 -0.00042 -0.00098 105 7D-2 -0.00001 -0.00036 -0.00054 -0.00032 -0.04478 106 8D 0 0.00046 0.00032 -0.00082 0.00402 0.01379 107 8D+1 0.00015 0.00018 -0.00011 0.00233 0.02943 108 8D-1 -0.00033 -0.00024 0.00022 0.00026 -0.01644 109 8D+2 -0.00005 -0.00024 -0.00013 -0.00001 -0.00084 110 8D-2 -0.00035 -0.00019 -0.00006 -0.00035 -0.01563 111 6 Cu 1S -0.00103 -0.00027 0.00005 -0.00149 -0.01061 112 2S -0.00030 0.00101 -0.00052 0.00482 0.15052 113 3S 0.02027 -0.01027 -0.00250 -0.03630 -0.00204 114 4PX -0.00031 -0.00024 0.00008 -0.00124 -0.02317 115 4PY 0.00047 0.00030 -0.00014 0.00142 0.02327 116 4PZ -0.00002 -0.00003 -0.00004 0.00002 -0.00440 117 5PX 0.00343 -0.00176 0.00014 -0.00536 0.01716 118 5PY -0.00379 0.00163 0.00115 0.00623 -0.01987 119 5PZ -0.00054 0.00043 0.00110 0.00096 0.00187 120 6PX -0.01862 0.00011 -0.01365 0.00527 -0.00240 121 6PY 0.00405 -0.00708 -0.01186 0.00285 0.01466 122 6PZ 0.00111 -0.03439 -0.01446 -0.00343 0.00556 123 7D 0 -0.00010 -0.00036 0.00009 -0.00169 -0.04984 124 7D+1 0.00005 0.00004 -0.00006 0.00022 0.03285 125 7D-1 0.00001 0.00009 -0.00001 0.00023 -0.00299 126 7D+2 -0.00005 -0.00002 -0.00006 -0.00041 -0.00375 127 7D-2 -0.00017 -0.00061 0.00018 -0.00294 -0.10589 128 8D 0 -0.00025 -0.00005 0.00008 0.00019 -0.01661 129 8D+1 -0.00019 0.00010 0.00006 0.00025 0.01260 130 8D-1 0.00008 -0.00005 -0.00006 0.00000 -0.00127 131 8D+2 0.00000 -0.00002 0.00010 -0.00017 -0.00122 132 8D-2 -0.00051 0.00001 0.00003 0.00015 -0.03679 133 7 Cu 1S 0.00038 -0.00046 0.00019 -0.00215 -0.01425 134 2S 0.00436 0.00520 -0.00175 0.02317 0.21617 135 3S 0.01552 -0.00592 0.00283 0.07028 0.02176 136 4PX -0.00114 -0.00127 0.00037 -0.00691 -0.03274 137 4PY 0.00036 0.00024 -0.00015 0.00028 -0.02394 138 4PZ 0.00072 0.00079 -0.00016 0.00381 0.01927 139 5PX 0.00177 0.00055 0.00009 0.01845 0.05006 140 5PY -0.00108 -0.00018 0.00039 -0.00305 0.03913 141 5PZ -0.00145 -0.00100 0.00094 -0.01122 -0.02170 142 6PX 0.01494 -0.01574 0.00265 -0.00189 -0.01699 143 6PY -0.03219 0.04789 -0.02276 0.00708 -0.02903 144 6PZ -0.00614 0.00384 -0.01907 -0.00628 0.00211 145 7D 0 -0.00065 -0.00033 0.00074 -0.00272 -0.01966 146 7D+1 -0.00239 -0.00222 -0.00009 -0.01297 -0.06283 147 7D-1 0.00072 0.00000 -0.00023 0.00145 -0.05667 148 7D+2 0.00167 0.00085 -0.00016 0.01094 0.02509 149 7D-2 -0.00127 -0.00030 -0.00023 -0.00299 0.07890 150 8D 0 -0.00018 0.00014 0.00030 -0.00076 -0.00704 151 8D+1 0.00010 -0.00067 -0.00023 -0.00404 -0.02261 152 8D-1 -0.00022 -0.00031 0.00016 -0.00030 -0.02078 153 8D+2 -0.00052 0.00021 -0.00018 0.00368 0.01013 154 8D-2 0.00073 0.00036 -0.00021 -0.00014 0.02673 155 8 Cu 1S -0.00114 -0.00019 0.00037 -0.00091 -0.00911 156 2S -0.00060 0.00109 0.00003 0.00444 0.13646 157 3S 0.02227 0.01423 -0.01081 -0.04531 0.04801 158 4PX -0.00007 -0.00011 0.00003 -0.00026 -0.00131 159 4PY 0.00029 0.00029 -0.00009 0.00118 0.02024 160 4PZ 0.00041 0.00031 -0.00014 0.00105 0.02338 161 5PX 0.00023 0.00102 0.00005 -0.00102 0.00847 162 5PY -0.00053 -0.00055 -0.00058 0.00630 -0.01946 163 5PZ -0.00525 -0.00247 0.00117 0.00530 -0.02435 164 6PX 0.00368 -0.01396 -0.01489 -0.01018 -0.02037 165 6PY -0.01518 0.02548 0.00042 0.01282 -0.02395 166 6PZ 0.03073 -0.02394 -0.00634 -0.01250 0.01876 167 7D 0 0.00003 0.00026 -0.00008 0.00076 0.04250 168 7D+1 -0.00002 -0.00017 0.00009 -0.00050 0.00009 169 7D-1 0.00016 0.00048 -0.00020 0.00249 0.10253 170 7D+2 -0.00008 -0.00022 0.00009 -0.00130 -0.04287 171 7D-2 -0.00007 -0.00017 0.00009 -0.00059 -0.01534 172 8D 0 0.00045 0.00013 -0.00016 0.00019 0.01411 173 8D+1 -0.00015 -0.00010 -0.00001 -0.00007 0.00099 174 8D-1 0.00028 0.00007 -0.00001 -0.00051 0.03383 175 8D+2 -0.00006 -0.00002 -0.00002 0.00003 -0.01408 176 8D-2 -0.00001 -0.00003 -0.00007 0.00000 -0.00553 177 9 C 1S -0.16308 -0.01786 0.00675 -0.08635 0.02758 178 2S 0.38898 0.03136 -0.01216 0.16151 -0.05747 179 3S 0.28504 0.06021 -0.02213 0.25422 -0.10014 180 4PX -0.00065 -0.16872 0.37257 -0.04249 0.02183 181 4PY -0.02254 0.02437 0.01376 0.49193 -0.09198 182 4PZ 0.00285 0.37536 0.16129 0.00589 -0.01257 183 5PX -0.01768 -0.02331 0.05900 0.00686 0.00999 184 5PY 0.07356 -0.00968 0.00807 0.01523 -0.03603 185 5PZ 0.01066 0.05494 0.02587 -0.00759 -0.00105 186 10 O 1S 0.12613 -0.00850 0.00319 -0.02930 -0.00170 187 2S -0.28559 0.01561 -0.00590 0.04868 0.01009 188 3S -0.37698 0.04274 -0.01594 0.16523 -0.01532 189 4PX -0.09663 -0.20042 0.55213 0.18844 -0.01750 190 4PY 0.42140 -0.22405 0.11985 -0.34203 0.05502 191 4PZ 0.06671 0.53694 0.26391 -0.16657 -0.00042 192 5PX -0.02414 -0.07900 0.20983 0.05614 -0.00684 193 5PY 0.10459 -0.06738 0.03877 -0.05334 0.01489 194 5PZ 0.01706 0.20507 0.09923 -0.05358 -0.00333 41 42 43 44 45 O O O O O EIGENVALUES -- -0.34078 -0.33414 -0.32671 -0.32393 -0.32241 1 1 Cu 1S -0.00041 0.00066 -0.00226 0.00089 -0.00113 2 2S -0.00262 0.07847 -0.02141 0.03648 -0.01738 3 3S 0.04117 0.02625 -0.15589 0.15869 -0.05196 4 4PX 0.00681 -0.00767 -0.01228 -0.00015 0.00710 5 4PY -0.00140 0.00270 0.01398 0.01962 -0.01160 6 4PZ -0.02480 -0.00920 0.00669 0.00622 -0.00188 7 5PX -0.01650 -0.01159 0.00091 -0.00672 0.00628 8 5PY 0.01597 -0.04516 0.04470 -0.03812 0.00420 9 5PZ 0.03015 -0.00032 -0.01467 -0.01137 0.00661 10 6PX -0.02917 -0.06182 -0.01533 -0.00025 0.03008 11 6PY 0.02928 0.04883 0.05142 0.02635 -0.05153 12 6PZ 0.00665 0.05410 0.00251 -0.04761 -0.03886 13 7D 0 -0.05557 0.11967 0.07112 -0.22451 0.00900 14 7D+1 -0.07278 -0.14818 0.12922 0.18694 0.05442 15 7D-1 -0.30758 0.01510 -0.02595 -0.06607 -0.06961 16 7D+2 0.05191 -0.07733 -0.26869 -0.20531 0.23017 17 7D-2 0.04574 -0.23315 0.12703 0.09240 -0.04549 18 8D 0 -0.01936 0.03957 0.02494 -0.07614 0.00241 19 8D+1 -0.02517 -0.04993 0.04474 0.06322 0.01730 20 8D-1 -0.10513 0.00534 -0.00751 -0.02274 -0.02475 21 8D+2 0.01798 -0.02517 -0.08811 -0.06722 0.07510 22 8D-2 0.01483 -0.07779 0.04367 0.03071 -0.01517 23 2 Cu 1S 0.00033 0.00012 -0.00133 0.00038 -0.00018 24 2S -0.01857 0.00665 0.09073 -0.02611 0.01963 25 3S -0.04656 -0.02321 0.15499 0.15211 -0.14379 26 4PX 0.00322 -0.01158 0.00772 0.00933 -0.00670 27 4PY 0.00335 0.00204 -0.02397 -0.02996 0.02434 28 4PZ -0.01702 -0.00016 -0.00369 -0.00902 0.00670 29 5PX 0.01128 0.00044 -0.07992 -0.03395 0.04323 30 5PY -0.03111 -0.03111 0.15353 0.11536 -0.11918 31 5PZ -0.00612 -0.01667 0.02509 0.03526 -0.03230 32 6PX 0.01467 0.00993 -0.03925 0.01889 0.01331 33 6PY -0.00380 0.01581 -0.02999 0.02793 -0.01147 34 6PZ 0.01636 0.00671 0.00664 0.01504 -0.01612 35 7D 0 0.14127 0.14826 0.51199 -0.22679 0.42363 36 7D+1 -0.15160 -0.02289 -0.11604 0.40003 0.56431 37 7D-1 0.57190 0.09798 -0.03096 0.26906 -0.02447 38 7D+2 0.16815 -0.31985 -0.14161 -0.33477 0.06117 39 7D-2 -0.04127 0.54761 -0.15078 0.07406 -0.04468 40 8D 0 0.04659 0.04752 0.16332 -0.07446 0.13650 41 8D+1 -0.05033 -0.00549 -0.03803 0.12549 0.17823 42 8D-1 0.18881 0.03201 -0.00854 0.08788 -0.00927 43 8D+2 0.05466 -0.10293 -0.04512 -0.11283 0.02252 44 8D-2 -0.01294 0.17972 -0.05150 0.02245 -0.00953 45 3 Cu 1S 0.00343 0.00132 -0.00162 -0.00459 0.00121 46 2S -0.08571 0.05524 0.05248 -0.04648 -0.00363 47 3S 0.00209 0.12789 0.06882 -0.21052 -0.03376 48 4PX -0.01471 0.00203 0.01101 -0.00047 0.00323 49 4PY -0.00433 -0.00092 0.00898 -0.00412 0.00101 50 4PZ 0.01643 -0.01251 -0.00431 0.00520 0.00678 51 5PX 0.02970 -0.03288 -0.03462 0.02624 -0.00176 52 5PY 0.01365 0.00019 -0.02319 0.01882 -0.00320 53 5PZ -0.03309 0.04201 0.00689 -0.04935 -0.01162 54 6PX -0.00126 0.00438 0.02520 0.02137 -0.00837 55 6PY -0.00672 0.01127 -0.00655 -0.01520 0.00867 56 6PZ 0.04586 0.00981 0.00559 -0.02533 0.00272 57 7D 0 -0.06424 0.09875 -0.06530 0.01432 -0.11081 58 7D+1 0.14069 -0.02608 -0.10774 -0.01256 0.03124 59 7D-1 0.05642 0.00472 -0.08228 0.00488 0.03754 60 7D+2 -0.06253 -0.02787 0.01997 0.08781 0.01378 61 7D-2 -0.03910 -0.01056 0.06482 -0.00044 0.05626 62 8D 0 -0.02400 0.03425 -0.02526 0.00684 -0.03896 63 8D+1 0.05283 -0.00991 -0.04055 -0.00482 0.01108 64 8D-1 0.02035 0.00083 -0.02703 0.00345 0.01406 65 8D+2 -0.02492 -0.00787 0.00580 0.02980 0.00458 66 8D-2 -0.01470 -0.00359 0.02354 -0.00006 0.02271 67 4 Cu 1S -0.00061 -0.00077 0.00023 -0.00163 0.00282 68 2S -0.05886 -0.07761 0.01311 0.03068 0.06477 69 3S -0.14541 -0.19000 -0.01198 0.09300 0.15078 70 4PX 0.01833 0.00446 -0.01299 -0.00511 -0.00159 71 4PY -0.00256 -0.00538 0.00732 -0.00087 -0.00080 72 4PZ 0.00101 0.01748 0.00669 -0.00816 -0.00352 73 5PX -0.03877 -0.05319 -0.00338 0.01536 0.04359 74 5PY 0.00332 -0.00527 0.01465 0.01149 -0.03036 75 5PZ -0.04853 -0.06116 -0.01029 0.02074 0.02786 76 6PX 0.07126 0.03194 -0.02448 0.00587 0.00350 77 6PY -0.02451 -0.03965 0.03287 -0.00944 -0.00641 78 6PZ -0.05663 -0.00589 0.00391 -0.01232 0.03091 79 7D 0 0.10299 -0.11892 -0.13127 0.07444 -0.03627 80 7D+1 -0.06562 -0.09361 0.04314 0.10877 -0.08976 81 7D-1 0.02368 0.07558 -0.06539 0.00641 0.10466 82 7D+2 -0.12105 0.02987 0.13543 0.02987 -0.07796 83 7D-2 0.03656 0.05640 -0.05844 0.00817 -0.08517 84 8D 0 0.03257 -0.04317 -0.04537 0.02647 -0.01347 85 8D+1 -0.02424 -0.03416 0.01265 0.03747 -0.03058 86 8D-1 0.00726 0.02435 -0.01926 0.00398 0.03635 87 8D+2 -0.04347 0.00850 0.04666 0.01065 -0.02645 88 8D-2 0.01302 0.01888 -0.01985 0.00269 -0.03112 89 5 Cu 1S -0.00310 0.00018 0.00075 -0.00171 0.00418 90 2S 0.09491 0.06692 0.06618 -0.00661 0.02535 91 3S 0.09144 0.09381 0.13947 -0.04227 0.12723 92 4PX 0.01209 0.00267 0.00469 -0.00638 -0.00343 93 4PY -0.00312 -0.00649 0.00823 0.00146 0.00343 94 4PZ 0.01822 0.01087 0.01433 0.00651 0.00048 95 5PX -0.02722 -0.02464 -0.03130 0.00945 0.00635 96 5PY 0.02147 0.00275 0.00108 0.01133 -0.02635 97 5PZ -0.05402 -0.04763 -0.04358 0.01395 -0.03260 98 6PX -0.00477 -0.00259 0.00369 -0.00954 -0.03310 99 6PY 0.02410 0.00389 0.01072 0.01820 0.01020 100 6PZ 0.03796 0.00690 -0.00239 0.02923 -0.02430 101 7D 0 0.09341 0.04625 0.10802 0.17567 -0.03135 102 7D+1 0.10288 -0.00433 0.08694 -0.04738 -0.08992 103 7D-1 0.00245 -0.02850 0.09941 -0.01177 0.08080 104 7D+2 0.02602 -0.02832 -0.01933 0.03744 -0.05219 105 7D-2 -0.01597 -0.03295 0.06560 0.01373 -0.03547 106 8D 0 0.03511 0.01775 0.03470 0.06057 -0.01122 107 8D+1 0.03835 0.00039 0.03325 -0.01814 -0.03354 108 8D-1 -0.00051 -0.01031 0.03286 -0.00576 0.02969 109 8D+2 0.00986 -0.00850 -0.00899 0.01356 -0.01800 110 8D-2 -0.00723 -0.01177 0.02263 0.00355 -0.01248 111 6 Cu 1S -0.00142 0.00184 0.00387 -0.00008 0.00028 112 2S 0.02565 0.01493 -0.08758 -0.03020 0.06722 113 3S 0.01778 0.06973 -0.06243 -0.06247 0.08831 114 4PX -0.00290 -0.00528 0.01583 0.00269 -0.00695 115 4PY 0.00494 -0.00392 -0.01139 -0.00332 0.01010 116 4PZ -0.00379 -0.00522 0.00574 0.00688 0.00264 117 5PX 0.00775 0.01580 -0.05040 -0.01494 0.02777 118 5PY -0.00141 -0.01743 0.03700 0.03026 -0.03796 119 5PZ 0.00025 -0.00752 -0.00924 -0.01003 -0.00837 120 6PX -0.01174 -0.01455 0.03699 -0.01874 -0.00142 121 6PY -0.01697 -0.04793 -0.02165 -0.00004 0.01728 122 6PZ -0.02143 -0.04389 0.02123 0.01743 0.02166 123 7D 0 -0.01047 0.00492 0.05238 -0.02115 -0.01418 124 7D+1 0.01396 0.05274 -0.06143 -0.06977 -0.00601 125 7D-1 -0.02827 -0.02944 0.02361 0.05563 0.04797 126 7D+2 -0.01559 0.06542 -0.03038 -0.00626 -0.03113 127 7D-2 -0.02977 0.01931 0.12028 0.00258 -0.07336 128 8D 0 -0.00296 0.00042 0.01957 -0.00788 -0.00554 129 8D+1 0.00328 0.01685 -0.02227 -0.02451 -0.00135 130 8D-1 -0.00900 -0.00986 0.00865 0.01980 0.01722 131 8D+2 -0.00514 0.02142 -0.00978 -0.00144 -0.01163 132 8D-2 -0.01103 0.00650 0.04611 0.00257 -0.02774 133 7 Cu 1S -0.00145 -0.00044 -0.00195 -0.00420 -0.00031 134 2S 0.09270 -0.05038 -0.01290 -0.02948 -0.00775 135 3S 0.18406 -0.12283 -0.13951 -0.09900 -0.09402 136 4PX -0.01895 0.00446 -0.00960 0.00070 0.00973 137 4PY -0.00622 -0.00331 0.01600 -0.00133 -0.01010 138 4PZ -0.00085 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0.00218 158 4PX 0.00323 -0.00303 -0.00598 -0.00065 0.00269 159 4PY 0.00694 0.00894 -0.00545 -0.00949 0.00299 160 4PZ -0.00023 0.01214 -0.01161 -0.00887 0.00060 161 5PX -0.01299 -0.00093 0.00774 -0.00322 -0.00322 162 5PY 0.01925 -0.02907 0.02356 0.03450 -0.01419 163 5PZ 0.02542 -0.03962 0.01689 0.01848 0.00523 164 6PX -0.01697 -0.03657 -0.00824 -0.00201 0.02450 165 6PY 0.03251 0.01094 -0.01981 -0.00902 0.01155 166 6PZ 0.00982 0.01170 -0.02153 -0.01364 -0.00175 167 7D 0 -0.03529 0.05641 -0.08052 -0.02568 -0.01103 168 7D+1 0.04758 -0.02198 -0.06107 -0.01249 0.05712 169 7D-1 0.03154 0.06394 -0.08250 -0.09388 0.00506 170 7D+2 -0.04855 -0.02560 0.02368 0.03237 -0.01478 171 7D-2 0.00967 -0.03569 -0.03810 0.02067 -0.00272 172 8D 0 -0.00973 0.02094 -0.02861 -0.00724 -0.00365 173 8D+1 0.01594 -0.00555 -0.02021 -0.00594 0.01989 174 8D-1 0.01134 0.02359 -0.03081 -0.03474 0.00222 175 8D+2 -0.01536 -0.01012 0.01074 0.01251 -0.00590 176 8D-2 0.00278 -0.01144 -0.01315 0.00728 -0.00223 177 9 C 1S 0.00290 -0.00347 0.00883 0.02205 -0.01733 178 2S -0.00348 0.00883 -0.02910 -0.04860 0.04004 179 3S -0.03101 0.00521 0.03161 -0.06782 0.03956 180 4PX 0.00620 -0.03595 0.01011 -0.00822 -0.01397 181 4PY -0.00379 0.00604 -0.02864 -0.07729 0.05631 182 4PZ -0.03003 -0.00658 -0.01483 -0.00691 0.00735 183 5PX 0.00502 -0.02779 0.00695 -0.01724 -0.00423 184 5PY 0.00044 -0.01139 0.02681 -0.01041 -0.00278 185 5PZ -0.03070 -0.00396 -0.00070 -0.00422 -0.00021 186 10 O 1S -0.00053 0.00060 -0.00096 -0.00340 0.00281 187 2S 0.00135 -0.00195 0.00376 0.01177 -0.00963 188 3S 0.00434 -0.00241 -0.00139 0.00513 -0.00491 189 4PX -0.01456 0.09332 -0.01355 0.04431 0.01343 190 4PY -0.00613 0.00622 0.01020 0.06450 -0.04110 191 4PZ 0.08952 0.02052 0.02621 0.00107 -0.00374 192 5PX -0.00843 0.05522 -0.00824 0.02913 0.00670 193 5PY -0.00461 0.00738 -0.00543 0.02232 -0.00974 194 5PZ 0.05407 0.01139 0.01325 0.00081 -0.00051 46 47 48 49 50 O O O O O EIGENVALUES -- -0.32174 -0.31518 -0.31325 -0.30804 -0.30140 1 1 Cu 1S 0.00073 -0.00429 0.00018 0.00278 0.00183 2 2S 0.02753 0.02463 0.05042 0.03313 0.05863 3 3S -0.01405 -0.29399 0.09591 0.04920 0.21810 4 4PX -0.00923 -0.01023 0.00113 0.00689 0.00945 5 4PY 0.00019 0.00632 0.00154 -0.01192 0.00087 6 4PZ -0.01341 0.00613 0.00986 0.00956 -0.00105 7 5PX -0.01621 0.05958 -0.00313 -0.02477 -0.06033 8 5PY 0.00655 0.05335 -0.03153 0.00940 -0.03003 9 5PZ 0.00979 -0.01354 -0.02023 -0.01327 -0.00367 10 6PX 0.02240 0.08375 -0.05118 0.06106 0.05615 11 6PY -0.02619 -0.03905 0.02506 -0.06602 -0.07301 12 6PZ -0.15255 -0.12358 0.05670 0.01014 -0.08222 13 7D 0 0.39618 -0.09247 0.35035 0.01570 -0.10486 14 7D+1 -0.16509 0.09021 0.42515 -0.01178 0.19541 15 7D-1 -0.04126 0.06211 -0.02173 0.44977 -0.22277 16 7D+2 -0.15202 -0.15834 0.11396 0.08755 0.11742 17 7D-2 -0.00286 -0.19937 0.06816 -0.18402 -0.15080 18 8D 0 0.13325 -0.02982 0.11678 0.00432 -0.03573 19 8D+1 -0.05590 0.03102 0.14268 -0.00375 0.06408 20 8D-1 -0.01359 0.02054 -0.00770 0.14723 -0.07490 21 8D+2 -0.04890 -0.05196 0.03516 0.02744 0.03897 22 8D-2 0.00013 -0.06949 0.02214 -0.05934 -0.04709 23 2 Cu 1S -0.00054 -0.00279 -0.00165 0.00127 0.00070 24 2S -0.02603 0.18712 -0.02700 -0.05828 0.01383 25 3S 0.01671 0.29681 -0.18054 0.00213 0.09463 26 4PX 0.00106 0.00530 -0.00307 -0.00239 -0.00315 27 4PY -0.00048 -0.01582 0.01129 -0.00346 -0.00281 28 4PZ -0.00226 0.00127 0.00383 0.00267 -0.00130 29 5PX -0.02164 -0.04258 0.03667 -0.00031 -0.00984 30 5PY 0.01209 0.16124 -0.13181 0.02453 0.01453 31 5PZ -0.00942 0.01382 -0.00592 0.02337 -0.00373 32 6PX -0.06728 0.00129 0.00519 -0.00594 -0.02685 33 6PY 0.00401 -0.00723 -0.00511 -0.01287 -0.00198 34 6PZ -0.00502 0.04764 -0.02635 0.04485 -0.01375 35 7D 0 -0.15459 -0.07721 -0.07571 0.13000 0.01570 36 7D+1 0.32620 0.11741 -0.11077 -0.02199 -0.03830 37 7D-1 0.09527 0.09461 0.11643 0.35065 -0.13501 38 7D+2 0.11432 0.48583 0.09069 -0.01961 -0.00193 39 7D-2 -0.20616 0.29090 0.14000 -0.24318 -0.07396 40 8D 0 -0.05112 -0.02122 -0.02269 0.04112 0.00354 41 8D+1 0.10245 0.03635 -0.03561 -0.00908 -0.01121 42 8D-1 0.02828 0.02978 0.03914 0.11239 -0.04130 43 8D+2 0.03661 0.15479 0.02826 -0.00452 -0.00009 44 8D-2 -0.06785 0.09242 0.04457 -0.07612 -0.02287 45 3 Cu 1S 0.00069 -0.00349 -0.00168 -0.00106 -0.00165 46 2S -0.00138 0.06363 0.03197 0.00454 -0.02076 47 3S -0.04404 -0.07243 0.00019 -0.01549 -0.14174 48 4PX 0.00214 0.00353 0.00797 0.00200 -0.00497 49 4PY -0.01079 0.00759 -0.00497 -0.00486 0.00109 50 4PZ -0.00194 -0.00843 -0.00082 -0.00398 -0.00014 51 5PX -0.00427 0.00797 -0.00656 0.00043 0.03206 52 5PY 0.03732 0.00123 -0.00689 -0.00461 0.00353 53 5PZ 0.00336 -0.00592 0.00462 0.00745 -0.00924 54 6PX -0.00031 -0.02363 0.03661 -0.00821 -0.01099 55 6PY -0.06307 -0.01109 0.00836 -0.00290 -0.00447 56 6PZ -0.00659 -0.01447 -0.00095 -0.03421 -0.03351 57 7D 0 0.01627 0.04950 -0.09040 0.08536 -0.01525 58 7D+1 -0.05815 -0.00326 -0.07926 -0.08206 -0.00587 59 7D-1 0.15583 -0.09735 0.05690 0.14876 -0.07735 60 7D+2 0.02972 0.00257 0.06279 0.06561 -0.08789 61 7D-2 -0.06888 0.01547 -0.13624 -0.07218 0.00145 62 8D 0 0.00390 0.01678 -0.03006 0.02899 -0.00452 63 8D+1 -0.02104 0.00076 -0.02849 -0.02933 -0.00319 64 8D-1 0.05225 -0.03366 0.01784 0.04819 -0.02452 65 8D+2 0.01051 0.00111 0.02090 0.02196 -0.03104 66 8D-2 -0.02471 0.00240 -0.04867 -0.02348 -0.00046 67 4 Cu 1S 0.00252 -0.00171 0.00163 -0.00041 -0.00169 68 2S -0.04864 0.07100 0.08063 -0.01017 -0.04512 69 3S -0.00078 0.02045 0.23841 0.06126 -0.04869 70 4PX -0.00347 -0.00607 -0.00862 -0.00453 -0.00593 71 4PY 0.00909 0.01028 -0.01519 -0.00527 -0.00533 72 4PZ 0.01219 -0.00466 -0.00676 0.00135 0.00842 73 5PX -0.00121 0.00309 0.04862 0.01376 0.00887 74 5PY -0.01247 -0.00268 0.03485 0.00088 0.00802 75 5PZ -0.02518 0.00821 0.06072 0.01689 -0.03224 76 6PX -0.03999 -0.01860 0.00031 -0.00746 -0.03304 77 6PY 0.05480 -0.00072 -0.00312 -0.03492 0.01285 78 6PZ 0.06096 0.02091 0.00667 0.02787 0.02853 79 7D 0 -0.16233 -0.06119 -0.04368 -0.04869 -0.26257 80 7D+1 0.03554 -0.00692 -0.00282 0.09597 0.30717 81 7D-1 -0.19973 -0.15659 0.18126 0.06532 0.09273 82 7D+2 0.03258 -0.05244 0.01369 0.06245 -0.15146 83 7D-2 -0.00204 -0.08050 0.23658 0.11333 0.05364 84 8D 0 -0.05806 -0.02092 -0.01435 -0.01454 -0.08874 85 8D+1 0.01041 -0.00397 0.00063 0.03413 0.10295 86 8D-1 -0.06990 -0.05269 0.06037 0.02110 0.03023 87 8D+2 0.00975 -0.02039 0.00330 0.02181 -0.05311 88 8D-2 0.00107 -0.02517 0.08022 0.03707 0.01976 89 5 Cu 1S -0.00061 -0.00052 0.00336 0.00063 -0.00089 90 2S 0.05561 0.04321 0.02219 -0.07521 -0.00657 91 3S 0.10747 0.02110 0.10699 -0.10113 -0.04332 92 4PX 0.00400 -0.00446 -0.00380 -0.00891 -0.00826 93 4PY -0.01445 0.00735 -0.00951 0.00629 -0.00317 94 4PZ 0.00678 0.00824 0.00079 -0.00800 0.00398 95 5PX -0.02362 0.01086 0.00014 0.02706 0.02975 96 5PY 0.02986 0.00139 0.03150 -0.02408 -0.00106 97 5PZ -0.04079 -0.00279 -0.02355 0.02825 -0.00134 98 6PX 0.03645 -0.02381 -0.00825 -0.02886 -0.01574 99 6PY -0.03729 0.06669 -0.03358 0.02074 -0.02016 100 6PZ -0.00634 0.02693 -0.04153 0.00732 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-0.00057 179 3S -0.00725 0.07886 -0.01794 -0.01828 -0.01155 180 4PX 0.01074 -0.00241 -0.00823 0.01637 0.00808 181 4PY -0.00524 0.01928 0.01999 -0.01204 -0.00183 182 4PZ 0.00368 -0.01107 -0.00727 -0.02838 0.00919 183 5PX 0.01508 -0.01267 0.00565 0.00505 0.00825 184 5PY 0.00145 0.03122 -0.02015 0.01175 0.00857 185 5PZ 0.00825 0.00123 -0.02065 -0.02254 0.00842 186 10 O 1S -0.00047 0.00184 0.00103 -0.00159 -0.00013 187 2S 0.00161 -0.00555 -0.00251 0.00430 -0.00077 188 3S 0.00137 -0.00749 -0.00559 0.00903 0.00584 189 4PX -0.02492 0.00556 0.01062 -0.02889 -0.01461 190 4PY 0.00353 -0.02797 -0.01334 0.00658 -0.00022 191 4PZ -0.01023 0.02457 0.02075 0.05375 -0.01696 192 5PX -0.01662 0.00464 0.00360 -0.01526 -0.01017 193 5PY -0.00071 -0.01545 -0.00118 -0.00194 0.00115 194 5PZ -0.00766 0.01272 0.01661 0.03312 -0.01003 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29755 -0.29453 -0.29217 -0.29103 -0.28803 1 1 Cu 1S 0.00198 0.00352 -0.00042 0.00222 -0.00258 2 2S -0.03759 0.03199 0.00488 0.00105 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23 2 Cu 1S -0.00121 -0.00087 -0.00150 -0.00075 0.00174 24 2S 0.04589 0.01720 0.00349 0.01381 -0.02145 25 3S 0.05091 0.02203 -0.09811 0.03196 0.03250 26 4PX 0.00313 -0.00360 -0.00242 -0.00229 0.00369 27 4PY 0.00767 -0.00184 0.00436 0.00019 -0.00146 28 4PZ 0.00469 0.00014 0.00030 0.00110 0.00452 29 5PX -0.02005 0.00530 0.03749 -0.00301 -0.01153 30 5PY -0.01253 0.03129 -0.03265 0.01269 0.00445 31 5PZ -0.01005 -0.00133 -0.01542 -0.01275 -0.02171 32 6PX 0.00726 -0.01540 0.00326 0.00555 -0.03443 33 6PY -0.00845 -0.01782 -0.02660 0.00081 0.00696 34 6PZ 0.01490 0.02281 0.00895 -0.01593 0.03483 35 7D 0 0.10240 0.15504 0.08560 -0.13364 0.00126 36 7D+1 0.06497 -0.04515 0.01023 0.07791 -0.11363 37 7D-1 0.08524 -0.09050 -0.02238 -0.00848 0.09561 38 7D+2 0.10820 -0.04613 0.00657 0.14280 -0.10048 39 7D-2 0.28515 -0.01794 0.04936 0.02204 0.02836 40 8D 0 0.03363 0.04641 0.02410 -0.03771 0.00095 41 8D+1 0.01932 -0.01331 0.00360 0.02355 -0.03301 42 8D-1 0.02516 -0.02755 -0.00645 -0.00317 0.02989 43 8D+2 0.03313 -0.01270 0.00365 0.04256 -0.03104 44 8D-2 0.08809 -0.00532 0.01585 0.00538 0.00780 45 3 Cu 1S -0.00075 -0.00104 -0.00089 -0.00055 0.00028 46 2S -0.01419 -0.00430 -0.00426 -0.00489 -0.01808 47 3S -0.08812 -0.00690 -0.05569 -0.01738 -0.09149 48 4PX -0.00469 -0.00513 -0.00129 -0.00339 -0.00149 49 4PY 0.00193 0.00063 -0.00026 0.00106 0.00073 50 4PZ -0.00179 -0.00284 0.00020 -0.00281 0.00196 51 5PX 0.02695 0.00655 0.01875 0.01028 0.01083 52 5PY -0.00433 0.00461 -0.00129 -0.00613 -0.00101 53 5PZ -0.00831 0.00606 -0.00442 0.00319 -0.01342 54 6PX -0.00818 -0.00640 -0.00659 0.00100 -0.02220 55 6PY -0.01015 -0.01428 -0.00740 0.02214 -0.03001 56 6PZ -0.02281 0.00446 -0.01047 -0.00751 -0.01351 57 7D 0 0.05951 0.16012 0.00212 0.13595 0.02621 58 7D+1 -0.05088 0.08568 0.00727 -0.00150 0.01395 59 7D-1 -0.01995 0.01158 -0.04876 0.05358 -0.01293 60 7D+2 -0.09974 -0.23511 -0.00655 -0.08001 -0.04757 61 7D-2 0.01023 0.01378 -0.06616 0.07314 0.01910 62 8D 0 0.02010 0.05347 0.00255 0.04671 0.00810 63 8D+1 -0.01781 0.03076 0.00338 -0.00039 0.00557 64 8D-1 -0.00650 0.00531 -0.01678 0.01839 -0.00497 65 8D+2 -0.03455 -0.07984 -0.00134 -0.02703 -0.01591 66 8D-2 0.00357 0.00464 -0.02383 0.02744 0.00779 67 4 Cu 1S -0.00073 0.00027 0.00047 0.00032 0.00304 68 2S -0.05383 -0.03218 0.00780 -0.01178 0.03341 69 3S -0.01660 -0.01373 0.11001 -0.03765 0.13415 70 4PX -0.00346 0.00396 -0.00210 0.00358 0.00574 71 4PY 0.00742 0.00371 0.00272 -0.00298 -0.00567 72 4PZ 0.00321 -0.00244 -0.00177 -0.00013 -0.00442 73 5PX 0.00846 -0.00993 0.01005 -0.02059 -0.01360 74 5PY -0.00709 0.00227 -0.00865 -0.00097 0.03190 75 5PZ -0.01034 0.00926 0.01929 0.00062 0.03253 76 6PX -0.01609 0.00462 0.02663 0.02712 -0.00417 77 6PY 0.00734 -0.00784 0.01773 -0.01545 0.00433 78 6PZ 0.00360 -0.02311 0.02113 -0.01965 0.05095 79 7D 0 0.05608 0.30865 0.02590 -0.18677 0.00917 80 7D+1 0.31299 0.07811 0.10384 0.05967 -0.00959 81 7D-1 -0.04431 -0.09186 -0.14913 0.34985 0.06746 82 7D+2 0.04647 -0.22093 -0.02872 -0.16478 -0.17255 83 7D-2 0.04490 -0.05508 0.28099 -0.21976 -0.12576 84 8D 0 0.01983 0.10403 0.00733 -0.06084 0.00171 85 8D+1 0.10618 0.02701 0.03423 0.01864 -0.00229 86 8D-1 -0.01495 -0.02797 -0.04998 0.11743 0.02079 87 8D+2 0.01494 -0.07407 -0.00999 -0.05413 -0.05636 88 8D-2 0.01359 -0.01725 0.09429 -0.07294 -0.04395 89 5 Cu 1S -0.00201 -0.00068 0.00013 0.00142 0.00153 90 2S -0.03830 0.00612 0.04732 -0.00793 0.02512 91 3S -0.17979 0.01783 0.10272 0.01970 0.03231 92 4PX -0.00378 -0.00462 0.01022 0.00156 0.00275 93 4PY 0.00387 -0.00239 -0.00002 0.00321 -0.01011 94 4PZ -0.00362 0.00319 0.00099 0.00099 -0.00583 95 5PX 0.03326 -0.00606 -0.02491 -0.00586 -0.00603 96 5PY -0.02692 0.00119 0.01387 0.00169 0.02430 97 5PZ 0.02734 -0.00232 -0.02501 -0.00702 0.01211 98 6PX 0.02352 0.01076 -0.00513 -0.00380 0.00074 99 6PY 0.00718 0.01939 -0.00127 -0.01298 0.00061 100 6PZ 0.03084 0.00768 0.00579 0.00956 -0.01351 101 7D 0 -0.03242 0.07167 -0.19044 -0.04029 -0.19460 102 7D+1 -0.01351 -0.10334 0.08617 0.21080 -0.05574 103 7D-1 0.14888 -0.08528 0.11146 0.04983 0.09882 104 7D+2 -0.08976 -0.21601 0.27095 0.12283 -0.13346 105 7D-2 -0.09430 -0.01081 -0.10928 0.01676 -0.15939 106 8D 0 -0.01266 0.02297 -0.06351 -0.01246 -0.06542 107 8D+1 -0.00402 -0.03418 0.02740 0.07213 -0.01872 108 8D-1 0.04860 -0.02915 0.03592 0.01618 0.03436 109 8D+2 -0.03053 -0.07248 0.09244 0.03978 -0.04500 110 8D-2 -0.03198 -0.00376 -0.03946 0.00458 -0.05299 111 6 Cu 1S -0.00035 0.00040 -0.00241 0.00164 -0.00026 112 2S -0.09045 -0.06873 -0.06126 -0.01268 0.05641 113 3S -0.13769 -0.05121 -0.18175 0.03228 -0.02047 114 4PX 0.00965 0.00135 -0.00051 0.00315 -0.00527 115 4PY -0.00484 -0.00745 -0.00927 0.00220 -0.00380 116 4PZ -0.00459 0.00793 0.00428 0.01181 -0.00511 117 5PX -0.03671 -0.00407 -0.02331 -0.01141 0.00532 118 5PY 0.02837 0.03076 0.05081 -0.01767 0.01381 119 5PZ 0.01343 -0.01490 -0.01334 -0.02858 0.01199 120 6PX -0.01513 -0.01896 -0.00411 0.01253 -0.00483 121 6PY 0.01180 -0.01393 0.01551 0.00340 0.00887 122 6PZ -0.01885 0.02284 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142 6PX 0.02025 0.01161 -0.04515 -0.03920 -0.02056 143 6PY -0.00213 0.01864 0.04511 0.00276 0.03493 144 6PZ 0.01674 0.05373 -0.04294 -0.03989 0.04796 145 7D 0 -0.11484 0.24505 0.21252 -0.24213 0.18349 146 7D+1 -0.20508 -0.23418 0.23212 0.10444 -0.05383 147 7D-1 0.04408 -0.10713 0.17645 -0.10315 0.14651 148 7D+2 -0.12093 0.07023 0.26899 0.26599 0.04307 149 7D-2 0.10242 0.05878 0.17794 0.00705 0.11289 150 8D 0 -0.03953 0.08083 0.07069 -0.07965 0.06131 151 8D+1 -0.06928 -0.07867 0.07617 0.03414 -0.01874 152 8D-1 0.01532 -0.03747 0.06049 -0.03598 0.04719 153 8D+2 -0.04139 0.02282 0.08747 0.08775 0.01553 154 8D-2 0.03556 0.01945 0.05891 0.00273 0.03569 155 8 Cu 1S 0.00232 -0.00127 0.00024 -0.00012 0.00138 156 2S -0.02466 -0.02873 -0.00670 -0.04424 0.11445 157 3S 0.10096 -0.04935 0.02945 -0.05998 0.22702 158 4PX -0.00287 -0.01021 -0.00265 -0.00370 0.00479 159 4PY 0.00330 -0.00053 0.00403 -0.00551 0.00674 160 4PZ -0.00634 -0.00244 -0.00441 -0.00256 0.00824 161 5PX 0.01509 0.01010 -0.00473 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4PY 0.02963 0.00472 0.01418 0.00882 -0.01558 182 4PZ -0.01038 0.00182 0.00049 0.00443 -0.01302 183 5PX -0.00627 -0.00190 -0.00492 0.00192 -0.00210 184 5PY 0.01103 0.00797 -0.01144 0.00350 0.00165 185 5PZ -0.00658 0.00343 -0.00286 0.00689 -0.00031 186 10 O 1S 0.00217 0.00042 0.00110 0.00060 -0.00123 187 2S -0.00707 -0.00118 -0.00202 -0.00178 0.00247 188 3S -0.00575 -0.00196 -0.00964 -0.00237 0.01024 189 4PX 0.03710 -0.00397 0.00549 -0.00693 0.01051 190 4PY -0.02310 -0.00533 -0.01010 -0.00797 0.01250 191 4PZ 0.02141 -0.00283 0.00079 -0.00550 0.01866 192 5PX 0.01858 -0.00171 0.00400 -0.00418 0.00622 193 5PY -0.00743 -0.00317 -0.00209 -0.00324 0.00551 194 5PZ 0.01338 -0.00212 0.00131 -0.00430 0.00880 56 57 58 59 60 O O O O O EIGENVALUES -- -0.28540 -0.28353 -0.28121 -0.27848 -0.27663 1 1 Cu 1S 0.00262 0.00133 -0.00042 -0.00043 -0.00083 2 2S -0.00234 0.00069 -0.00826 0.00797 -0.00646 3 3S 0.13205 0.03235 0.00110 -0.05888 -0.05324 4 4PX 0.00414 -0.00423 -0.00125 -0.00778 -0.01100 5 4PY -0.00220 0.00154 0.00301 0.01050 0.01215 6 4PZ 0.00023 0.01515 0.00960 0.03840 -0.00475 7 5PX -0.06318 0.02212 0.02317 0.03892 0.05201 8 5PY 0.00241 -0.00465 -0.00671 -0.03570 -0.03911 9 5PZ 0.04588 -0.03830 -0.01267 -0.15817 0.03983 10 6PX 0.00931 -0.02350 0.01634 0.02379 0.04974 11 6PY -0.03896 0.01383 -0.01808 -0.02058 -0.04463 12 6PZ -0.02105 0.05096 -0.05595 -0.04759 0.03666 13 7D 0 -0.02203 0.17413 0.01766 -0.01982 -0.05864 14 7D+1 -0.10173 -0.07903 -0.09258 -0.25457 0.00009 15 7D-1 -0.07029 -0.07889 0.07543 -0.15047 0.00778 16 7D+2 0.10156 0.12186 -0.02008 0.12235 0.36199 17 7D-2 0.13353 0.15757 -0.00171 -0.00354 -0.11567 18 8D 0 -0.00886 0.05646 0.00592 -0.00567 -0.01720 19 8D+1 -0.03480 -0.02496 -0.02924 -0.08061 -0.00028 20 8D-1 -0.02368 -0.02597 0.02302 -0.04844 0.00243 21 8D+2 0.03329 0.03941 -0.00593 0.03840 0.11668 22 8D-2 0.04385 0.05000 -0.00103 -0.00204 -0.03605 23 2 Cu 1S -0.00183 -0.00100 -0.00038 -0.00058 0.00020 24 2S 0.00519 0.00940 -0.00550 0.01586 0.00524 25 3S -0.10194 -0.09982 0.00516 0.02759 -0.02686 26 4PX -0.00750 0.00545 0.00497 0.00247 0.01099 27 4PY 0.00652 0.00839 -0.00733 -0.00436 -0.00640 28 4PZ 0.01407 -0.00030 0.01845 -0.01432 -0.00345 29 5PX 0.03143 -0.02007 -0.01141 -0.01294 -0.05294 30 5PY -0.01888 -0.03891 0.01769 -0.00203 0.00922 31 5PZ -0.03513 -0.00092 -0.07638 0.09651 0.02350 32 6PX 0.00404 0.01506 -0.00821 -0.00110 -0.01791 33 6PY -0.03797 -0.01966 0.00999 0.01159 -0.00580 34 6PZ 0.02768 -0.04572 0.00412 0.01032 -0.00303 35 7D 0 -0.00753 0.03441 0.07748 -0.04040 -0.05311 36 7D+1 -0.06729 0.07785 -0.12687 -0.02554 0.00626 37 7D-1 0.01119 -0.11408 0.10296 -0.10333 0.06967 38 7D+2 0.17609 -0.01292 -0.05937 -0.06430 -0.11500 39 7D-2 0.13072 0.13349 -0.02078 -0.01609 0.04150 40 8D 0 0.00093 0.01039 0.02271 -0.01369 -0.01639 41 8D+1 -0.02035 0.02252 -0.03697 -0.00600 0.00236 42 8D-1 0.00455 -0.03340 0.03514 -0.03038 0.02091 43 8D+2 0.05410 -0.00472 -0.01717 -0.02007 -0.03809 44 8D-2 0.03803 0.04111 -0.00489 -0.00503 0.01285 45 3 Cu 1S 0.00059 -0.00098 -0.00296 -0.00200 0.00018 46 2S 0.06018 0.02411 0.05116 0.06889 0.01633 47 3S 0.10879 0.01579 -0.07705 -0.04247 0.04838 48 4PX 0.00718 0.00121 0.00597 0.00474 0.00172 49 4PY 0.00322 -0.00356 0.00213 -0.00497 -0.00042 50 4PZ -0.00298 -0.00283 -0.00328 -0.00673 -0.00147 51 5PX -0.02687 0.00061 0.00478 -0.00172 -0.00234 52 5PY -0.00301 -0.00108 -0.00036 -0.01793 -0.00323 53 5PZ 0.03178 0.00507 -0.01446 -0.01031 0.01593 54 6PX -0.00197 0.00240 0.00830 0.00038 -0.01101 55 6PY -0.00642 0.00974 -0.00724 -0.01590 0.00827 56 6PZ 0.00211 0.00737 -0.00658 -0.00551 -0.00439 57 7D 0 -0.24996 0.00289 -0.04361 0.12787 0.12625 58 7D+1 0.00009 -0.03420 -0.07675 -0.06866 0.14390 59 7D-1 -0.04071 0.16457 0.02768 0.31402 0.03489 60 7D+2 0.17068 -0.13925 0.07044 0.08396 0.25570 61 7D-2 0.06532 -0.13222 0.10724 -0.17623 0.24315 62 8D 0 -0.08321 0.00057 -0.01499 0.04235 0.04343 63 8D+1 0.00004 -0.01127 -0.02486 -0.02263 0.04864 64 8D-1 -0.01189 0.05618 0.00928 0.10473 0.01098 65 8D+2 0.05697 -0.04705 0.02360 0.02726 0.08454 66 8D-2 0.02296 -0.04602 0.03663 -0.05936 0.08211 67 4 Cu 1S 0.00056 -0.00165 -0.00073 -0.00167 0.00072 68 2S 0.01881 0.02966 0.06737 0.03433 0.00893 69 3S -0.00658 0.07443 0.08160 -0.00424 0.02697 70 4PX -0.00936 0.00020 -0.00846 -0.00523 -0.00465 71 4PY 0.00207 -0.00280 -0.00072 -0.00409 0.00144 72 4PZ 0.00498 -0.00382 -0.00411 -0.00242 0.00289 73 5PX 0.01242 -0.00284 0.03297 0.00666 0.02495 74 5PY -0.00940 0.01999 0.01327 0.00378 0.00509 75 5PZ -0.00671 0.02403 0.02073 0.00733 -0.00868 76 6PX -0.04054 0.01875 0.00194 0.00955 -0.01358 77 6PY -0.01602 0.01782 0.00204 -0.01166 0.02287 78 6PZ 0.02012 -0.00236 0.00365 0.00367 0.00383 79 7D 0 -0.06518 0.05657 -0.13146 -0.12891 -0.01088 80 7D+1 -0.16031 0.03549 -0.19838 -0.13234 -0.04228 81 7D-1 0.03317 -0.12924 0.02318 -0.02437 -0.17980 82 7D+2 0.35205 -0.13580 -0.14125 0.00162 0.15354 83 7D-2 -0.01846 0.10517 -0.12849 0.19646 -0.16408 84 8D 0 -0.01973 0.01816 -0.04323 -0.04097 -0.00334 85 8D+1 -0.05249 0.01209 -0.06349 -0.04283 -0.01385 86 8D-1 0.01144 -0.04199 0.00720 -0.00711 -0.05832 87 8D+2 0.11665 -0.04507 -0.04765 -0.00069 0.04950 88 8D-2 -0.00807 0.03473 -0.04161 0.06507 -0.05436 89 5 Cu 1S 0.00140 -0.00032 0.00031 0.00246 -0.00076 90 2S -0.06299 -0.03677 -0.07972 -0.01598 0.02088 91 3S -0.02233 0.01188 -0.10663 0.01036 -0.00836 92 4PX -0.00681 -0.00297 -0.00369 -0.00038 -0.00102 93 4PY 0.00089 0.00763 0.00530 0.00244 -0.00237 94 4PZ -0.00422 0.00010 -0.00480 -0.00343 0.00393 95 5PX 0.00989 0.01938 0.02448 -0.00978 0.00754 96 5PY -0.00783 -0.01191 -0.03439 0.02818 0.01049 97 5PZ 0.01252 -0.00685 0.00989 0.01599 -0.00243 98 6PX -0.01909 -0.00339 0.01118 -0.01016 -0.01130 99 6PY 0.01094 -0.00970 -0.00725 0.00755 -0.02049 100 6PZ 0.01062 -0.01789 0.00841 0.01464 -0.01030 101 7D 0 0.11909 0.14151 0.14968 0.15791 -0.11255 102 7D+1 -0.00738 0.16499 -0.10618 -0.07056 0.09752 103 7D-1 -0.08210 -0.03822 -0.12796 0.32462 0.00448 104 7D+2 -0.08199 0.17009 0.20468 -0.06833 -0.13431 105 7D-2 -0.07271 0.34359 -0.07926 -0.12133 0.19362 106 8D 0 0.04011 0.04739 0.04922 0.05210 -0.03830 107 8D+1 -0.00267 0.05522 -0.03578 -0.02334 0.03302 108 8D-1 -0.02705 -0.01228 -0.04402 0.10803 -0.00036 109 8D+2 -0.02686 0.05468 0.06976 -0.02197 -0.04606 110 8D-2 -0.02539 0.11576 -0.02784 -0.04133 0.06525 111 6 Cu 1S -0.00001 0.00068 -0.00101 0.00086 0.00189 112 2S -0.05929 -0.00519 -0.01499 0.00523 -0.02111 113 3S -0.09880 -0.00709 -0.10161 0.02321 0.09006 114 4PX 0.00136 0.00033 0.00299 0.00043 0.00588 115 4PY -0.00683 -0.00061 0.00382 0.00008 0.00022 116 4PZ 0.00461 -0.00105 0.00903 0.00118 -0.00047 117 5PX -0.02794 0.00053 -0.01702 0.01352 -0.00121 118 5PY 0.02054 -0.00034 0.00006 0.00781 -0.01549 119 5PZ -0.01446 0.02400 -0.03436 0.01081 0.01030 120 6PX -0.00432 -0.01042 -0.01756 0.00689 0.02825 121 6PY 0.01255 0.01280 0.03053 -0.00259 0.00252 122 6PZ -0.00723 0.00520 0.01662 -0.00380 0.01790 123 7D 0 -0.12861 0.20365 0.18168 -0.01888 0.08057 124 7D+1 0.14372 0.10245 -0.21661 -0.19068 -0.11564 125 7D-1 0.20717 0.06189 0.07270 0.05810 -0.06357 126 7D+2 0.17461 0.05361 -0.04038 -0.06235 0.08491 127 7D-2 0.00140 -0.01106 -0.19887 0.02687 -0.07674 128 8D 0 -0.04533 0.06884 0.06242 -0.00659 0.02922 129 8D+1 0.04997 0.03436 -0.07147 -0.06204 -0.03866 130 8D-1 0.07060 0.01856 0.02169 0.01912 -0.02085 131 8D+2 0.05659 0.01811 -0.01222 -0.02035 0.02674 132 8D-2 0.00131 -0.00512 -0.06720 0.00960 -0.02538 133 7 Cu 1S 0.00121 0.00040 0.00118 0.00007 -0.00041 134 2S -0.07729 0.00443 -0.00372 0.00290 0.00836 135 3S 0.01377 0.03815 0.07975 -0.02572 -0.03628 136 4PX 0.00486 -0.00249 0.00250 0.00417 -0.00178 137 4PY 0.00896 0.00625 -0.00167 0.00080 0.00241 138 4PZ 0.00572 0.00290 0.00120 0.00433 0.00022 139 5PX -0.01323 0.02869 0.01469 -0.01996 -0.00144 140 5PY -0.03403 -0.01853 0.01935 0.01799 0.00077 141 5PZ -0.02611 0.00619 0.02054 -0.00781 0.00857 142 6PX 0.00795 -0.00348 0.01006 -0.01753 -0.01473 143 6PY 0.03982 -0.01045 0.00935 0.00760 0.02014 144 6PZ 0.00770 -0.00774 0.01014 -0.00328 0.00049 145 7D 0 0.04217 0.12070 0.20126 -0.02443 0.00628 146 7D+1 -0.19184 -0.00033 -0.12957 -0.17782 -0.07792 147 7D-1 -0.09034 -0.11361 0.22735 0.01132 0.07343 148 7D+2 0.15364 0.18241 -0.11891 0.01594 0.17205 149 7D-2 0.27203 -0.01779 0.14162 -0.11194 -0.13896 150 8D 0 0.01290 0.03718 0.06534 -0.00882 0.00106 151 8D+1 -0.06119 -0.00178 -0.04089 -0.05616 -0.02524 152 8D-1 -0.03155 -0.03637 0.07723 0.00530 0.02362 153 8D+2 0.05060 0.05972 -0.04051 0.00568 0.05521 154 8D-2 0.08973 -0.00643 0.04859 -0.03523 -0.04536 155 8 Cu 1S 0.00047 0.00044 0.00108 0.00289 0.00039 156 2S -0.04815 -0.05273 -0.04271 -0.04542 -0.02406 157 3S -0.04322 -0.06386 0.10984 0.07986 -0.05560 158 4PX -0.00247 0.00483 0.00559 0.00232 -0.00156 159 4PY -0.00638 -0.00919 -0.00287 -0.00154 0.00035 160 4PZ -0.00039 -0.00005 -0.00298 -0.00853 -0.00374 161 5PX -0.00700 -0.00205 -0.02941 0.01136 0.00614 162 5PY 0.02046 0.02775 -0.01413 -0.00965 0.00810 163 5PZ 0.00334 0.00741 -0.00773 -0.00403 0.01563 164 6PX 0.00306 0.02097 0.01764 0.00476 0.01063 165 6PY 0.01674 -0.03008 -0.01823 0.00081 0.00743 166 6PZ -0.00229 0.02862 -0.01341 -0.02815 0.00298 167 7D 0 0.19990 0.15111 -0.05793 -0.11695 -0.27987 168 7D+1 0.02519 0.16478 -0.18071 0.15683 0.02286 169 7D-1 -0.00470 0.09505 0.16339 -0.23139 0.20022 170 7D+2 -0.04228 0.32275 0.02478 -0.16284 0.08054 171 7D-2 -0.10485 0.10590 0.31397 0.02306 -0.15289 172 8D 0 0.06865 0.04868 -0.02198 -0.03903 -0.09429 173 8D+1 0.00903 0.05438 -0.06005 0.05354 0.00821 174 8D-1 -0.00122 0.03219 0.05550 -0.07941 0.06713 175 8D+2 -0.01635 0.10919 0.00689 -0.05411 0.02895 176 8D-2 -0.03587 0.03404 0.10706 0.00821 -0.05139 177 9 C 1S -0.01112 -0.00743 0.00422 0.00420 0.00648 178 2S 0.02139 0.01388 -0.00783 -0.00860 -0.01480 179 3S 0.05953 0.03877 -0.02166 -0.01675 -0.01912 180 4PX -0.00289 -0.01853 0.00026 0.00137 -0.01176 181 4PY 0.03457 0.01608 -0.00866 -0.01503 -0.02246 182 4PZ -0.00947 0.01183 -0.02450 0.01647 -0.00284 183 5PX -0.00496 -0.00134 0.00348 0.00116 -0.00106 184 5PY -0.00002 -0.00001 -0.00772 -0.00097 -0.00459 185 5PZ -0.00292 0.00349 -0.00096 -0.00771 -0.00049 186 10 O 1S 0.00227 0.00165 -0.00085 -0.00065 -0.00138 187 2S -0.00559 -0.00433 0.00320 0.00205 0.00453 188 3S -0.01375 -0.00922 0.00064 0.00183 0.00298 189 4PX -0.00161 0.02549 0.00226 0.00009 0.02105 190 4PY -0.02826 -0.01030 0.00540 0.01170 0.01996 191 4PZ 0.02033 -0.01407 0.03905 -0.02608 0.00063 192 5PX -0.00005 0.01220 0.00084 -0.00002 0.01199 193 5PY -0.01108 -0.00238 0.00122 0.00403 0.00743 194 5PZ 0.01085 -0.00645 0.01958 -0.01065 -0.00075 61 62 63 64 65 O O O O O EIGENVALUES -- -0.27540 -0.27123 -0.26982 -0.26740 -0.26529 1 1 Cu 1S 0.00069 0.00083 0.00006 0.00060 -0.00068 2 2S -0.00936 -0.03514 0.05798 -0.05554 -0.01000 3 3S 0.04361 0.07077 -0.01613 0.02498 -0.04234 4 4PX -0.01147 -0.00442 -0.00988 0.01066 -0.00387 5 4PY 0.01549 0.01429 -0.00504 -0.00245 0.00527 6 4PZ 0.01539 -0.00034 -0.00413 0.00148 -0.00856 7 5PX 0.04075 0.00012 0.05216 -0.04784 0.02954 8 5PY -0.06759 -0.06879 0.01098 0.00619 -0.01593 9 5PZ -0.08929 0.01784 -0.00128 -0.01143 0.04885 10 6PX 0.01449 -0.03456 0.02636 -0.02200 0.04584 11 6PY -0.02567 -0.00238 0.01752 -0.02428 -0.04599 12 6PZ -0.05803 0.07063 0.03311 -0.00899 -0.03013 13 7D 0 0.13091 0.02798 -0.03367 0.14099 0.12592 14 7D+1 0.02532 0.01685 0.00175 0.08916 0.13404 15 7D-1 -0.12716 0.04177 0.02894 0.03147 0.10132 16 7D+2 0.14551 -0.07493 -0.04203 -0.04377 0.26609 17 7D-2 -0.12117 -0.12740 0.08063 -0.13377 0.15378 18 8D 0 0.03965 0.00789 -0.01250 0.04456 0.03896 19 8D+1 0.00770 0.00469 0.00099 0.02614 0.04068 20 8D-1 -0.03903 0.01415 0.00963 0.00935 0.03145 21 8D+2 0.04560 -0.02417 -0.01475 -0.01356 0.08439 22 8D-2 -0.03761 -0.04007 0.02472 -0.04122 0.04645 23 2 Cu 1S -0.00040 -0.00075 -0.00064 0.00015 0.00005 24 2S -0.00036 0.00907 0.00555 -0.00639 0.00025 25 3S -0.02376 -0.01284 -0.05954 0.02986 0.05140 26 4PX -0.00609 -0.02014 -0.00895 0.00488 0.00776 27 4PY -0.00390 -0.00053 0.00414 0.00872 -0.00185 28 4PZ 0.00861 -0.00404 -0.00610 -0.00626 -0.00070 29 5PX 0.01328 0.08967 0.03355 -0.03367 -0.03083 30 5PY 0.01491 0.01172 -0.02410 0.00273 0.01866 31 5PZ -0.05545 0.02650 0.03934 0.04893 0.00799 32 6PX 0.00670 0.02366 0.00532 -0.00769 0.01988 33 6PY -0.00028 0.00058 -0.00431 -0.01177 0.00621 34 6PZ 0.02077 -0.00066 0.01642 0.00419 0.04486 35 7D 0 0.01474 0.07341 0.05474 -0.02004 0.04380 36 7D+1 -0.06371 0.03344 0.02512 0.08321 0.00806 37 7D-1 0.08281 -0.04552 -0.11444 -0.06481 -0.01262 38 7D+2 0.05952 0.15458 0.06212 0.00197 -0.13475 39 7D-2 -0.01040 -0.12028 -0.02146 0.06909 0.01995 40 8D 0 0.00499 0.01959 0.01567 -0.00470 0.01002 41 8D+1 -0.01861 0.00886 0.00783 0.02571 0.00332 42 8D-1 0.02581 -0.01411 -0.03469 -0.02147 -0.00300 43 8D+2 0.01726 0.04938 0.01978 0.00005 -0.04059 44 8D-2 -0.00403 -0.03602 -0.00715 0.02127 0.00850 45 3 Cu 1S -0.00170 -0.00043 -0.00027 0.00079 -0.00009 46 2S 0.01079 -0.00428 0.04153 -0.03857 -0.00259 47 3S -0.09329 -0.03037 0.08054 -0.01089 0.00349 48 4PX -0.00224 -0.00056 0.00510 -0.00179 0.00256 49 4PY 0.00153 0.00106 0.00108 0.00065 -0.00108 50 4PZ -0.00310 0.00205 -0.00383 0.00406 0.00007 51 5PX 0.00394 -0.00158 -0.03134 0.01029 -0.01304 52 5PY -0.01247 0.00375 -0.01755 -0.01105 0.01318 53 5PZ -0.03006 -0.02165 0.01616 -0.00192 0.00346 54 6PX 0.00167 0.01566 -0.01580 0.00992 -0.02204 55 6PY -0.00927 0.02393 -0.00628 0.01057 -0.00624 56 6PZ -0.02315 -0.00710 0.01479 0.01272 0.00081 57 7D 0 0.20404 0.41395 0.08088 -0.11923 0.13524 58 7D+1 -0.22223 0.04905 0.44553 -0.12072 0.31778 59 7D-1 0.13802 -0.30957 0.24438 0.03809 -0.14826 60 7D+2 -0.15866 0.19362 -0.02341 0.04382 0.12147 61 7D-2 0.14608 -0.22531 0.13205 0.11483 -0.08592 62 8D 0 0.06762 0.13699 0.02608 -0.03964 0.04306 63 8D+1 -0.07616 0.01586 0.14734 -0.03871 0.10506 64 8D-1 0.04628 -0.10239 0.08105 0.01198 -0.04812 65 8D+2 -0.05214 0.06428 -0.00760 0.01440 0.04034 66 8D-2 0.05012 -0.07509 0.04433 0.03873 -0.02938 67 4 Cu 1S 0.00046 0.00019 0.00027 0.00002 -0.00040 68 2S -0.02950 -0.03616 -0.01443 -0.01355 0.03040 69 3S -0.06927 0.04894 -0.05020 -0.05923 -0.01008 70 4PX 0.00708 0.00190 -0.00063 -0.00196 0.00057 71 4PY 0.00167 -0.00063 0.00412 0.00504 -0.00212 72 4PZ -0.00110 0.00310 0.00942 0.00550 -0.00171 73 5PX -0.05456 -0.00341 0.00104 0.01523 -0.00165 74 5PY -0.01015 0.00640 -0.03220 -0.02876 0.01279 75 5PZ 0.00419 0.00306 -0.03822 -0.03796 -0.00521 76 6PX -0.00177 0.04153 0.02646 0.01450 0.00659 77 6PY -0.02896 -0.00764 -0.02757 -0.01899 -0.02244 78 6PZ -0.00112 -0.01622 -0.01299 -0.02208 0.00225 79 7D 0 0.06804 0.11603 0.16638 0.36804 -0.08296 80 7D+1 0.27542 -0.08206 -0.02710 0.01268 0.03588 81 7D-1 0.10739 0.09739 0.23199 0.29777 -0.07619 82 7D+2 0.29873 0.08862 0.19513 0.03872 -0.14366 83 7D-2 -0.22779 0.14874 0.13247 0.01509 -0.04962 84 8D 0 0.02200 0.03809 0.05498 0.11813 -0.02657 85 8D+1 0.09079 -0.02764 -0.01068 0.00378 0.00941 86 8D-1 0.03593 0.03160 0.07505 0.09643 -0.02592 87 8D+2 0.09755 0.02748 0.06230 0.01235 -0.04534 88 8D-2 -0.07544 0.05062 0.04241 0.00516 -0.01645 89 5 Cu 1S 0.00035 -0.00114 -0.00125 0.00066 -0.00031 90 2S 0.02245 -0.00078 0.03232 -0.04352 -0.00827 91 3S 0.09247 -0.09035 -0.03793 -0.07623 -0.02117 92 4PX 0.00330 -0.00259 0.00036 -0.00478 0.00002 93 4PY -0.00087 0.00160 -0.00146 0.00386 0.00137 94 4PZ 0.00170 0.00147 0.00213 -0.00394 -0.00175 95 5PX -0.02140 0.00449 0.00107 0.02870 -0.01168 96 5PY 0.01253 -0.00336 -0.00673 -0.01031 -0.00289 97 5PZ -0.01842 0.02434 0.00125 0.01858 0.02179 98 6PX -0.01326 0.00445 -0.00698 0.01061 -0.02652 99 6PY 0.02335 0.00151 -0.00952 -0.00630 0.03080 100 6PZ -0.00117 0.01903 0.01090 0.01866 0.03484 101 7D 0 0.03707 0.19959 0.05260 0.11007 0.20604 102 7D+1 -0.25471 0.01754 -0.14278 0.35369 -0.08208 103 7D-1 -0.11576 0.02735 -0.08146 0.09177 -0.12938 104 7D+2 0.24939 0.01678 0.03946 -0.06601 0.12270 105 7D-2 0.00468 -0.08303 -0.04555 -0.24183 -0.10917 106 8D 0 0.01057 0.06437 0.01830 0.03635 0.06669 107 8D+1 -0.08489 0.00751 -0.04614 0.11528 -0.02636 108 8D-1 -0.03824 0.00843 -0.02674 0.02953 -0.04335 109 8D+2 0.08253 0.00461 0.01292 -0.02108 0.04076 110 8D-2 0.00019 -0.02713 -0.01503 -0.07922 -0.03701 111 6 Cu 1S 0.00172 0.00094 -0.00038 -0.00026 -0.00028 112 2S -0.02696 -0.04849 0.01390 -0.00162 0.00333 113 3S 0.02481 -0.05266 0.02057 0.00736 0.01558 114 4PX 0.00356 0.00347 -0.00128 -0.00062 -0.00050 115 4PY -0.00121 -0.00394 0.00012 0.00303 0.00309 116 4PZ 0.00010 -0.00174 -0.00608 -0.00278 0.00407 117 5PX 0.00197 -0.00519 0.00869 -0.00047 0.01428 118 5PY -0.00383 0.01715 -0.01470 -0.01513 -0.00387 119 5PZ -0.00521 0.01294 0.00097 0.00461 -0.02445 120 6PX -0.00869 -0.01934 -0.00265 -0.00315 0.01777 121 6PY -0.01933 0.00460 -0.01275 -0.00345 0.00418 122 6PZ -0.02474 -0.01395 -0.03393 -0.00995 -0.02484 123 7D 0 -0.02706 0.13342 0.11653 0.04167 -0.07366 124 7D+1 0.10308 0.07568 -0.03971 -0.04198 0.14612 125 7D-1 0.05073 0.06142 -0.08154 -0.03128 0.07358 126 7D+2 -0.04824 -0.10544 0.09179 0.07808 -0.20350 127 7D-2 0.05864 -0.17445 0.18516 0.04789 0.24246 128 8D 0 -0.01050 0.04380 0.03790 0.01255 -0.02442 129 8D+1 0.03501 0.02449 -0.01429 -0.01386 0.04743 130 8D-1 0.01771 0.01972 -0.02663 -0.01165 0.02430 131 8D+2 -0.01630 -0.03489 0.02997 0.02548 -0.06641 132 8D-2 0.01979 -0.05796 0.06057 0.01584 0.07998 133 7 Cu 1S 0.00014 0.00091 0.00061 0.00071 0.00001 134 2S -0.01444 -0.03646 0.00694 -0.01206 0.01081 135 3S -0.01792 0.03355 0.05290 0.02918 0.00556 136 4PX -0.00196 0.00094 0.00332 0.00193 0.00347 137 4PY -0.00059 0.00237 -0.00442 -0.00652 -0.00499 138 4PZ -0.00813 0.00095 -0.00404 0.00217 0.00403 139 5PX 0.00916 0.00131 -0.00996 -0.00263 -0.02068 140 5PY 0.01085 -0.01021 0.01060 0.04249 0.03371 141 5PZ 0.02939 -0.00921 -0.00731 -0.00210 -0.01486 142 6PX 0.00874 0.00111 -0.00461 -0.01299 -0.02412 143 6PY 0.00422 -0.02852 0.01693 0.03308 0.02119 144 6PZ 0.01733 -0.02399 -0.01978 0.00502 -0.00757 145 7D 0 0.12351 -0.02921 -0.07387 0.06588 -0.03938 146 7D+1 0.07807 0.06895 0.01356 -0.10714 -0.07604 147 7D-1 -0.04110 -0.08718 0.13851 0.20286 0.14096 148 7D+2 0.03038 0.06704 0.04840 0.08442 0.06468 149 7D-2 -0.01862 0.20247 0.06095 -0.23334 -0.19120 150 8D 0 0.04109 -0.01021 -0.02304 0.01811 -0.01237 151 8D+1 0.02658 0.02340 0.00305 -0.03549 -0.02492 152 8D-1 -0.01428 -0.02789 0.04450 0.06629 0.04581 153 8D+2 0.00754 0.01935 0.01647 0.02747 0.02108 154 8D-2 -0.00448 0.06766 0.01799 -0.07423 -0.06138 155 8 Cu 1S 0.00143 0.00059 -0.00123 0.00063 0.00003 156 2S -0.03566 -0.03245 0.06159 -0.01221 -0.01131 157 3S 0.02552 -0.00190 0.07477 0.00747 -0.00777 158 4PX 0.00267 0.00072 0.00166 0.00086 0.00153 159 4PY -0.00120 -0.00223 0.00540 -0.00115 -0.00325 160 4PZ -0.00355 -0.00211 0.00583 -0.00141 -0.00149 161 5PX -0.00253 -0.00350 -0.00735 0.00788 -0.01352 162 5PY 0.00938 0.00473 -0.02757 -0.00243 0.02277 163 5PZ -0.01882 0.00069 -0.02517 0.01255 0.00690 164 6PX 0.00037 -0.01008 -0.02156 0.01693 -0.01031 165 6PY 0.02771 -0.00301 -0.00955 0.01093 0.02465 166 6PZ -0.01558 -0.00633 -0.00527 -0.00219 -0.01531 167 7D 0 -0.09522 -0.16602 -0.04960 0.07711 0.23608 168 7D+1 0.18286 0.11852 -0.17812 0.14017 0.00971 169 7D-1 -0.08190 0.12583 -0.17960 0.16869 0.06019 170 7D+2 -0.13345 0.09393 0.26082 -0.08895 -0.24463 171 7D-2 0.10426 -0.01270 0.12000 0.11882 0.00427 172 8D 0 -0.03083 -0.05591 -0.01605 0.02474 0.07813 173 8D+1 0.06036 0.03982 -0.05951 0.04586 0.00269 174 8D-1 -0.02860 0.04169 -0.05929 0.05494 0.01890 175 8D+2 -0.04492 0.03069 0.08591 -0.02933 -0.08152 176 8D-2 0.03509 -0.00369 0.03981 0.03911 0.00206 177 9 C 1S -0.00165 -0.00773 -0.00539 -0.00566 0.00328 178 2S 0.00285 0.01639 0.01099 0.00956 -0.00614 179 3S 0.01248 0.04005 0.02835 0.04082 -0.01451 180 4PX 0.00688 0.02472 0.00762 -0.01336 -0.01202 181 4PY 0.00844 0.02818 0.01603 0.01093 -0.01235 182 4PZ -0.01459 0.00585 0.01233 0.01396 0.00194 183 5PX 0.00191 0.00159 0.00068 -0.00426 -0.00869 184 5PY -0.00067 0.00000 -0.00442 0.01445 -0.00228 185 5PZ -0.00196 -0.00018 -0.00096 0.00259 0.00138 186 10 O 1S 0.00020 0.00149 0.00137 0.00099 -0.00078 187 2S -0.00001 -0.00364 -0.00309 -0.00362 0.00209 188 3S -0.00315 -0.00908 -0.00990 -0.00129 0.00387 189 4PX -0.01155 -0.03991 -0.01318 0.01657 0.01809 190 4PY -0.00775 -0.02329 -0.01384 -0.00570 0.01190 191 4PZ 0.02258 -0.00812 -0.01619 -0.01804 -0.00308 192 5PX -0.00626 -0.02118 -0.00678 0.00890 0.01183 193 5PY -0.00460 -0.01022 -0.00575 -0.00272 0.00555 194 5PZ 0.01194 -0.00440 -0.00820 -0.00939 -0.00242 66 67 68 69 70 O O O O O EIGENVALUES -- -0.26513 -0.26357 -0.26311 -0.26220 -0.26061 1 1 Cu 1S 0.00143 0.00043 0.00041 0.00060 -0.00028 2 2S -0.00293 0.00556 0.00312 -0.00368 -0.02420 3 3S 0.05340 0.05730 0.05921 0.04718 -0.01792 4 4PX -0.00469 -0.00018 0.00276 0.00172 0.00368 5 4PY 0.00242 0.00171 -0.00299 -0.00246 -0.00128 6 4PZ -0.00015 -0.00068 0.00522 0.00231 -0.00359 7 5PX 0.02400 -0.00296 0.00126 -0.01083 -0.01010 8 5PY -0.02223 -0.01347 -0.00799 0.00039 0.00445 9 5PZ -0.00205 -0.00770 -0.01156 -0.01357 0.01392 10 6PX -0.00226 0.03476 -0.02917 0.00943 0.02633 11 6PY 0.00163 -0.05006 0.02414 -0.02341 -0.02263 12 6PZ 0.04457 -0.08505 0.02157 0.01041 -0.01090 13 7D 0 -0.00435 -0.03161 -0.08478 0.03801 0.18131 14 7D+1 0.07384 -0.08795 -0.08588 -0.01189 0.12289 15 7D-1 -0.00389 -0.02929 -0.02378 -0.09141 -0.02825 16 7D+2 0.02978 -0.17136 0.05006 -0.23493 -0.04304 17 7D-2 0.08379 0.14246 0.03660 0.08352 -0.09780 18 8D 0 -0.00309 -0.01013 -0.02749 0.01053 0.05594 19 8D+1 0.02301 -0.02744 -0.02554 -0.00300 0.03782 20 8D-1 -0.00053 -0.01042 -0.00707 -0.02808 -0.00821 21 8D+2 0.00925 -0.05285 0.01337 -0.07286 -0.01275 22 8D-2 0.02674 0.04380 0.01033 0.02557 -0.03039 23 2 Cu 1S -0.00044 -0.00017 0.00000 -0.00115 -0.00049 24 2S -0.00415 0.01229 -0.01569 0.00835 -0.00600 25 3S -0.02971 -0.04156 -0.01202 -0.06403 -0.02558 26 4PX 0.00469 -0.00394 -0.00193 0.00568 0.00063 27 4PY 0.00425 -0.00389 0.00738 0.00745 0.00653 28 4PZ 0.00232 -0.00298 0.01333 -0.00597 -0.00407 29 5PX -0.02134 0.02470 0.00345 -0.02223 0.00024 30 5PY -0.01082 -0.00365 -0.01821 -0.03852 -0.00626 31 5PZ -0.00385 0.00158 -0.05852 0.03107 0.01761 32 6PX 0.00359 -0.01274 -0.00311 0.01581 0.00733 33 6PY -0.00754 -0.00470 -0.00733 -0.00335 -0.00225 34 6PZ 0.01962 0.01376 0.01335 0.02387 0.01428 35 7D 0 0.02269 -0.03157 0.12229 0.09151 -0.00266 36 7D+1 -0.01331 0.02634 0.02864 -0.00121 -0.10674 37 7D-1 0.01095 -0.01177 0.07159 -0.03455 -0.05406 38 7D+2 0.05037 0.04380 0.06804 0.03819 0.03652 39 7D-2 -0.01439 -0.04899 0.03487 0.06449 0.06173 40 8D 0 0.00743 -0.00871 0.03712 0.02742 -0.00013 41 8D+1 -0.00356 0.00953 0.00825 -0.00044 -0.02959 42 8D-1 0.00337 -0.00466 0.02275 -0.01147 -0.01638 43 8D+2 0.01559 0.01328 0.02097 0.01269 0.01120 44 8D-2 -0.00471 -0.01603 0.01078 0.02058 0.01894 45 3 Cu 1S 0.00023 -0.00042 -0.00054 -0.00024 -0.00017 46 2S -0.02587 0.00055 -0.00131 -0.01675 -0.02439 47 3S -0.02383 -0.06880 -0.04785 -0.01300 -0.06446 48 4PX -0.00237 0.00021 -0.00247 -0.00115 -0.00331 49 4PY -0.00191 -0.00321 -0.00073 0.00299 0.00066 50 4PZ 0.00531 0.00056 0.00361 0.00246 0.00177 51 5PX 0.00560 0.00284 0.02242 0.01082 0.03123 52 5PY 0.00663 0.01632 0.00575 -0.02568 -0.00411 53 5PZ -0.02207 -0.01458 -0.02315 0.00063 -0.00336 54 6PX 0.01209 -0.00932 0.02344 -0.00033 0.00487 55 6PY 0.01079 -0.00187 -0.00071 -0.00506 -0.00348 56 6PZ -0.01212 -0.01187 -0.01030 -0.00519 -0.00006 57 7D 0 0.27492 0.03731 0.18674 0.12590 -0.04432 58 7D+1 -0.16655 -0.01463 -0.20263 0.12578 0.03725 59 7D-1 0.09713 -0.04549 -0.12042 0.13259 0.15415 60 7D+2 0.09156 -0.00672 0.15399 0.33427 0.33576 61 7D-2 0.42620 0.37394 -0.01816 -0.17925 0.20203 62 8D 0 0.09085 0.01120 0.06299 0.04166 -0.01570 63 8D+1 -0.05552 -0.00504 -0.06687 0.04077 0.01263 64 8D-1 0.03214 -0.01524 -0.03967 0.04383 0.05079 65 8D+2 0.03015 -0.00245 0.05056 0.10940 0.11008 66 8D-2 0.13893 0.12233 -0.00621 -0.05889 0.06599 67 4 Cu 1S -0.00019 -0.00012 -0.00092 0.00165 0.00169 68 2S -0.00257 -0.00625 0.01168 -0.00458 -0.00533 69 3S 0.00983 0.00190 -0.01287 0.04897 0.05776 70 4PX 0.00080 -0.00243 -0.00106 -0.00310 -0.00671 71 4PY 0.00820 0.00939 -0.00239 0.00133 -0.00415 72 4PZ -0.00474 -0.00056 -0.00128 0.00588 0.00792 73 5PX -0.00211 0.01314 0.01462 0.02080 0.05293 74 5PY -0.03165 -0.05308 -0.00013 -0.01117 0.01570 75 5PZ 0.01647 0.00224 -0.00591 -0.01713 -0.03423 76 6PX 0.03044 -0.00526 0.01501 0.01679 0.02506 77 6PY -0.03271 -0.03342 -0.00846 -0.01961 -0.01390 78 6PZ -0.00798 0.02203 -0.02289 0.00022 0.00080 79 7D 0 -0.04152 -0.08403 -0.01049 0.05679 0.08756 80 7D+1 -0.06586 -0.07760 -0.03315 0.09218 0.09754 81 7D-1 -0.07339 0.18975 -0.01062 0.14722 -0.14635 82 7D+2 -0.15414 -0.12177 -0.07604 -0.04321 -0.18392 83 7D-2 0.20127 0.35931 0.04593 -0.11787 -0.09877 84 8D 0 -0.01233 -0.02760 -0.00430 0.01845 0.02800 85 8D+1 -0.02165 -0.02486 -0.00877 0.03019 0.03192 86 8D-1 -0.02230 0.06244 -0.00398 0.04672 -0.04597 87 8D+2 -0.04850 -0.03893 -0.02417 -0.01379 -0.05905 88 8D-2 0.06307 0.11420 0.01419 -0.03742 -0.03268 89 5 Cu 1S -0.00017 0.00015 0.00084 -0.00180 -0.00043 90 2S -0.01346 0.02286 -0.04384 0.01637 0.02279 91 3S -0.04623 0.08195 -0.00189 -0.01768 -0.00169 92 4PX -0.00117 0.00452 -0.00430 0.00422 0.00053 93 4PY -0.00048 0.00003 0.00760 0.00218 -0.00214 94 4PZ -0.00497 0.00495 -0.00230 0.00438 0.00040 95 5PX 0.00133 -0.02894 0.01400 -0.01134 0.00596 96 5PY -0.00616 0.00663 -0.04142 -0.00810 0.00736 97 5PZ 0.02583 -0.02197 -0.00653 -0.01137 0.00357 98 6PX -0.00779 -0.01005 0.00786 -0.01385 -0.00612 99 6PY 0.00078 0.01341 -0.01116 0.00371 0.01176 100 6PZ 0.01659 -0.00910 -0.01866 0.00165 0.00892 101 7D 0 0.14188 -0.06524 -0.22579 -0.27471 0.01553 102 7D+1 0.24704 -0.32905 0.08865 -0.01189 -0.03162 103 7D-1 -0.13365 0.04403 -0.32164 -0.05395 0.11359 104 7D+2 -0.16285 0.07027 -0.02351 -0.12457 0.19471 105 7D-2 0.08444 0.11111 -0.12178 0.35819 -0.20092 106 8D 0 0.04612 -0.02114 -0.07492 -0.09049 0.00532 107 8D+1 0.08045 -0.10633 0.02951 -0.00395 -0.01047 108 8D-1 -0.04370 0.01495 -0.10573 -0.01715 0.03840 109 8D+2 -0.05303 0.02242 -0.00766 -0.03855 0.06349 110 8D-2 0.02678 0.03632 -0.03985 0.11469 -0.06489 111 6 Cu 1S 0.00029 0.00181 -0.00192 0.00046 0.00069 112 2S -0.02142 -0.02216 0.05080 -0.03375 -0.01030 113 3S -0.02452 0.07551 0.08938 -0.02152 0.00476 114 4PX -0.00009 0.00028 -0.00691 0.00216 -0.00113 115 4PY -0.00453 -0.00093 0.00716 -0.00176 -0.00414 116 4PZ -0.00123 0.00035 -0.00182 0.00431 0.00407 117 5PX 0.00749 0.01259 0.03408 -0.01050 0.00674 118 5PY 0.02063 -0.00939 -0.03338 -0.00419 0.01269 119 5PZ -0.00351 -0.00264 0.00910 -0.01742 -0.02427 120 6PX -0.01589 0.00633 0.01306 -0.01027 -0.00022 121 6PY -0.00449 -0.00151 -0.01840 0.00480 0.00425 122 6PZ -0.03340 -0.00503 -0.00453 -0.01649 -0.02382 123 7D 0 -0.22047 0.08345 0.10778 -0.02236 0.21732 124 7D+1 0.16472 -0.01171 -0.24943 0.06700 0.03011 125 7D-1 0.07837 -0.09120 -0.14615 0.08890 -0.21426 126 7D+2 -0.07954 0.02099 0.09161 0.11251 -0.02195 127 7D-2 -0.03290 0.00324 0.43922 -0.13261 -0.20466 128 8D 0 -0.07198 0.02620 0.03545 -0.00887 0.06981 129 8D+1 0.05234 -0.00519 -0.08126 0.02264 0.00943 130 8D-1 0.02589 -0.03031 -0.04725 0.02811 -0.06811 131 8D+2 -0.02476 0.00783 0.02980 0.03803 -0.00661 132 8D-2 -0.01120 0.00015 0.14365 -0.04327 -0.06633 133 7 Cu 1S -0.00041 -0.00086 -0.00007 -0.00011 0.00069 134 2S 0.00088 -0.00324 0.00758 -0.00191 -0.00426 135 3S 0.01031 -0.05479 -0.00082 -0.00252 0.02906 136 4PX -0.00157 0.00005 0.00764 -0.00705 -0.00358 137 4PY 0.00397 0.00183 -0.00456 0.00643 0.00358 138 4PZ 0.00869 -0.00334 -0.00208 -0.00783 -0.00438 139 5PX 0.00341 -0.01008 -0.01922 0.02502 0.01015 140 5PY -0.01195 -0.00533 0.00333 -0.01393 -0.01115 141 5PZ -0.03499 0.01404 0.01852 0.03185 0.00471 142 6PX 0.00145 -0.00296 -0.01059 -0.00473 -0.00596 143 6PY 0.00620 0.02109 0.00813 0.00132 0.00774 144 6PZ -0.01474 0.03184 0.00067 0.00214 0.00335 145 7D 0 0.02728 0.07570 0.00396 0.02968 -0.10089 146 7D+1 0.12144 -0.01644 -0.15511 -0.06611 -0.02204 147 7D-1 0.16417 -0.06446 -0.24941 0.07931 -0.29871 148 7D+2 -0.15982 0.11387 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0.01058 0.15737 0.07841 0.03545 -0.06205 169 7D-1 -0.25135 0.31024 -0.06969 -0.02810 -0.21489 170 7D+2 0.04303 -0.16216 0.04026 -0.30162 -0.02063 171 7D-2 0.03159 -0.18234 0.11864 0.25180 -0.10073 172 8D 0 0.00835 0.03124 0.01191 0.02384 0.05984 173 8D+1 0.00369 0.05071 0.02469 0.01107 -0.01987 174 8D-1 -0.08109 0.10125 -0.02274 -0.00865 -0.06986 175 8D+2 0.01352 -0.05227 0.01377 -0.09724 -0.00707 176 8D-2 0.01007 -0.05965 0.03824 0.08175 -0.03249 177 9 C 1S -0.00448 0.00144 -0.00877 -0.00685 -0.00609 178 2S 0.00885 -0.00326 0.01955 0.01508 0.01264 179 3S 0.02729 -0.00766 0.03667 0.03469 0.03594 180 4PX -0.00288 0.00940 -0.00555 -0.01109 -0.00522 181 4PY 0.01288 -0.00290 0.02770 0.01773 0.01603 182 4PZ -0.00163 0.00400 -0.01567 0.00462 0.00649 183 5PX 0.00368 0.00205 -0.00039 -0.00031 -0.00395 184 5PY 0.00227 -0.00378 0.00092 -0.00676 -0.00093 185 5PZ 0.00024 0.00004 -0.00358 -0.00358 0.00219 186 10 O 1S 0.00076 -0.00023 0.00172 0.00169 0.00123 187 2S -0.00190 0.00097 -0.00484 -0.00382 -0.00301 188 3S -0.00467 -0.00050 -0.00780 -0.01223 -0.00784 189 4PX 0.00427 -0.01141 0.00418 0.01341 0.00536 190 4PY -0.00757 0.00108 -0.02037 -0.01204 -0.00998 191 4PZ 0.00272 -0.00617 0.02310 -0.00663 -0.00842 192 5PX 0.00113 -0.00577 0.00191 0.00682 0.00371 193 5PY -0.00366 0.00016 -0.00754 -0.00420 -0.00397 194 5PZ 0.00082 -0.00328 0.01277 -0.00306 -0.00512 71 72 73 74 75 O O O O O EIGENVALUES -- -0.25952 -0.25859 -0.25749 -0.25666 -0.25440 1 1 Cu 1S -0.00072 -0.00009 -0.00129 0.00079 0.00121 2 2S -0.00247 -0.00052 0.00560 -0.00223 0.01719 3 3S -0.05635 0.00909 -0.09427 0.05546 0.07085 4 4PX -0.00270 0.00213 -0.00146 -0.00167 0.00086 5 4PY -0.00020 -0.00428 0.00274 0.00129 -0.00775 6 4PZ -0.00923 -0.01109 -0.00091 -0.00107 -0.00304 7 5PX 0.00512 -0.00564 0.01140 0.00467 -0.00998 8 5PY 0.01459 0.02224 -0.01283 -0.01541 0.02641 9 5PZ 0.02819 0.02739 -0.00360 -0.01043 0.00657 10 6PX -0.01785 -0.03262 0.01695 0.01508 0.01175 11 6PY 0.02934 0.03872 -0.00308 -0.02570 -0.02410 12 6PZ 0.09270 0.09865 -0.04878 -0.04735 -0.01583 13 7D 0 0.07163 0.07962 0.16158 -0.11842 0.03001 14 7D+1 -0.00133 -0.06902 0.19411 0.19137 0.05670 15 7D-1 -0.02184 -0.09108 0.13575 0.16036 -0.07058 16 7D+2 0.11360 0.15120 0.05417 -0.11313 -0.01787 17 7D-2 -0.00413 0.13306 -0.04693 -0.07082 0.28961 18 8D 0 0.02355 0.02473 0.05140 -0.03756 0.00841 19 8D+1 0.00094 -0.01977 0.05979 0.06077 0.01882 20 8D-1 -0.00532 -0.02883 0.04328 0.04982 -0.02257 21 8D+2 0.03558 0.04720 0.01607 -0.03538 -0.00603 22 8D-2 -0.00087 0.04040 -0.01507 -0.02165 0.09095 23 2 Cu 1S 0.00046 0.00086 0.00108 -0.00075 0.00051 24 2S 0.00165 -0.01080 -0.00297 0.01006 -0.00621 25 3S 0.04928 0.06051 0.02657 -0.06784 0.03745 26 4PX 0.00206 0.00022 -0.00604 0.00185 -0.00194 27 4PY -0.00059 0.00295 -0.00668 0.00526 0.00167 28 4PZ -0.00541 -0.00970 0.00099 -0.00342 -0.00560 29 5PX -0.00937 0.00248 0.02566 -0.01019 0.00798 30 5PY 0.01607 0.01037 0.01408 -0.02987 0.00543 31 5PZ 0.01078 0.03601 -0.00431 0.01058 0.02401 32 6PX 0.01351 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5PY 0.01942 0.01304 0.00833 -0.03760 -0.00156 53 5PZ -0.00817 -0.01755 -0.00232 -0.01078 -0.01404 54 6PX 0.00371 0.02432 -0.01120 -0.00069 -0.00262 55 6PY 0.02716 0.02424 -0.00936 -0.01770 -0.00154 56 6PZ -0.00239 -0.00071 0.01070 0.00192 -0.01426 57 7D 0 0.00002 -0.00808 0.01817 -0.07182 0.16319 58 7D+1 -0.22199 -0.27401 0.09478 -0.08429 -0.00646 59 7D-1 -0.15290 -0.16980 -0.05853 0.35995 0.02692 60 7D+2 -0.04761 0.18896 -0.24853 0.08913 0.06918 61 7D-2 -0.02808 -0.03801 0.13429 -0.05631 -0.03044 62 8D 0 -0.00071 -0.00357 0.00495 -0.02384 0.05342 63 8D+1 -0.07176 -0.08914 0.03148 -0.02725 -0.00261 64 8D-1 -0.04954 -0.05549 -0.02078 0.11837 0.00981 65 8D+2 -0.01513 0.06205 -0.08081 0.03000 0.02200 66 8D-2 -0.00983 -0.01129 0.04449 -0.01946 -0.00940 67 4 Cu 1S 0.00071 0.00110 -0.00107 -0.00040 -0.00008 68 2S -0.04260 -0.02628 0.01087 -0.00835 -0.00982 69 3S -0.00524 0.00479 -0.07625 -0.02172 0.01073 70 4PX -0.00378 -0.00071 -0.00193 -0.00407 0.00200 71 4PY 0.00469 -0.00057 -0.00248 -0.00022 -0.00171 72 4PZ 0.00127 0.00574 -0.00241 0.00249 -0.00405 73 5PX 0.02278 0.02669 -0.00184 0.02344 0.00050 74 5PY -0.01401 -0.00074 -0.00057 -0.00095 -0.00633 75 5PZ 0.00012 -0.03113 -0.00072 -0.01743 0.01498 76 6PX 0.00569 0.02354 0.00752 0.00700 0.00175 77 6PY -0.00628 0.00497 -0.00487 0.00696 -0.00904 78 6PZ 0.00451 -0.02509 -0.00403 0.00188 0.01464 79 7D 0 0.05188 0.28124 -0.04038 0.10624 -0.12108 80 7D+1 -0.26592 -0.04753 -0.18786 -0.07352 -0.03324 81 7D-1 0.08940 0.06067 -0.04141 -0.10337 0.00585 82 7D+2 -0.11348 -0.06716 -0.01261 -0.20827 -0.08476 83 7D-2 0.02231 -0.13948 -0.07082 -0.05138 -0.17601 84 8D 0 0.01717 0.08996 -0.01382 0.03528 -0.03986 85 8D+1 -0.08542 -0.01552 -0.06174 -0.02484 -0.01144 86 8D-1 0.02932 0.01848 -0.01318 -0.03341 0.00227 87 8D+2 -0.03631 -0.02219 -0.00439 -0.06602 -0.02690 88 8D-2 0.00728 -0.04400 -0.02404 -0.01728 -0.05690 89 5 Cu 1S -0.00191 -0.00098 0.00045 0.00048 -0.00035 90 2S 0.03332 0.03581 0.00983 -0.00987 0.01216 91 3S -0.01363 0.03451 0.01019 0.05061 -0.03622 92 4PX 0.00203 0.00599 0.00335 -0.00292 0.00404 93 4PY -0.00120 -0.00902 -0.00579 0.00133 0.00286 94 4PZ 0.00615 0.00132 -0.00111 0.00319 0.00004 95 5PX -0.00108 -0.02723 -0.01802 0.00479 -0.01611 96 5PY -0.00957 0.04453 0.01702 0.00709 -0.02413 97 5PZ -0.02323 0.00277 0.00251 -0.02279 0.00782 98 6PX 0.00150 -0.01675 -0.00035 -0.00281 -0.00268 99 6PY -0.02187 0.01646 0.01723 -0.00739 0.00234 100 6PZ -0.00921 0.00560 0.01511 -0.00226 0.01220 101 7D 0 -0.17413 0.15572 0.09755 0.01461 0.14063 102 7D+1 -0.18965 -0.21602 0.04332 -0.11916 -0.09150 103 7D-1 -0.03882 0.22407 0.23459 -0.02066 0.10382 104 7D+2 0.01333 0.03464 -0.23148 0.11001 -0.13173 105 7D-2 -0.01851 0.24239 0.16491 -0.03713 -0.25957 106 8D 0 -0.05568 0.05111 0.03280 0.00561 0.04514 107 8D+1 -0.06201 -0.07037 0.01383 -0.03815 -0.02964 108 8D-1 -0.01179 0.07330 0.07671 -0.00851 0.03378 109 8D+2 0.00391 0.01066 -0.07454 0.03464 -0.04254 110 8D-2 -0.00576 0.07820 0.05244 -0.01231 -0.08258 111 6 Cu 1S -0.00039 0.00002 0.00041 -0.00022 0.00006 112 2S -0.00952 0.01177 0.00100 -0.00461 0.01124 113 3S -0.06951 0.05418 0.03357 0.00654 0.01256 114 4PX 0.00452 -0.00205 -0.00133 0.00000 0.00787 115 4PY -0.00163 0.00315 0.00438 0.00079 0.00829 116 4PZ 0.00080 -0.00320 0.00703 -0.00071 0.00435 117 5PX -0.02570 0.01020 0.01508 0.00039 -0.04427 118 5PY 0.01226 -0.02166 -0.02205 -0.00535 -0.04511 119 5PZ -0.02372 0.01172 -0.03429 0.00250 -0.01983 120 6PX -0.00270 0.01022 0.00052 -0.00295 -0.01191 121 6PY 0.00412 -0.01986 -0.02112 0.00294 -0.01400 122 6PZ -0.02985 -0.00156 -0.01243 0.00392 -0.01349 123 7D 0 -0.11948 0.02502 0.11906 -0.25360 -0.14827 124 7D+1 0.30209 -0.16392 -0.01157 0.11520 0.09057 125 7D-1 -0.10373 -0.02358 -0.13117 0.08589 -0.02104 126 7D+2 -0.01727 0.12490 0.04142 -0.02255 0.44181 127 7D-2 -0.16091 0.22032 0.16528 0.22257 -0.02902 128 8D 0 -0.03905 0.00805 0.03869 -0.08109 -0.04793 129 8D+1 0.09793 -0.05245 -0.00312 0.03768 0.02888 130 8D-1 -0.03505 -0.00806 -0.04284 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0.30460 0.14528 170 7D+2 0.11609 0.05174 -0.27942 0.04402 0.13605 171 7D-2 0.18989 -0.13315 0.32876 -0.01825 0.14654 172 8D 0 -0.03133 0.03854 -0.01193 -0.08318 -0.02385 173 8D+1 -0.05050 -0.03690 0.01223 0.04173 -0.02163 174 8D-1 -0.06493 -0.00836 0.00159 0.09860 0.04740 175 8D+2 0.03760 0.01662 -0.08992 0.01309 0.04312 176 8D-2 0.06158 -0.04318 0.10556 -0.00617 0.04709 177 9 C 1S 0.00234 0.00080 0.00704 -0.00654 0.00028 178 2S -0.00552 -0.00138 -0.01467 0.01391 -0.00018 179 3S -0.00916 -0.00515 -0.04027 0.03344 -0.00317 180 4PX -0.00564 0.00048 0.01239 -0.00417 0.00342 181 4PY -0.00990 -0.00393 -0.01794 0.01750 -0.00065 182 4PZ 0.00908 0.01197 -0.00140 0.00589 0.00517 183 5PX -0.00495 -0.00470 0.00203 0.00327 -0.00327 184 5PY 0.00328 0.00537 0.00136 -0.00403 0.00347 185 5PZ 0.00719 0.00344 0.00012 -0.00084 0.00261 186 10 O 1S -0.00056 -0.00046 -0.00162 0.00169 -0.00021 187 2S 0.00103 0.00048 0.00394 -0.00403 0.00000 188 3S 0.00488 0.00584 0.01046 -0.01136 0.00361 189 4PX 0.00771 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0.17140 0.15073 14 7D+1 -0.09910 0.19299 -0.03255 -0.13423 -0.21382 15 7D-1 -0.21273 -0.04712 -0.05959 0.17673 0.20492 16 7D+2 -0.02527 -0.11419 -0.01174 -0.03561 -0.04064 17 7D-2 -0.13895 0.12771 -0.01829 0.02452 -0.01317 18 8D 0 0.07301 0.06142 0.01677 0.05587 0.04947 19 8D+1 -0.03197 0.06095 -0.01049 -0.04361 -0.06898 20 8D-1 -0.06635 -0.01585 -0.01851 0.05764 0.06619 21 8D+2 -0.00780 -0.03559 -0.00369 -0.01099 -0.01303 22 8D-2 -0.04447 0.04001 -0.00564 0.00666 -0.00566 23 2 Cu 1S 0.00090 -0.00009 0.00029 0.00032 0.00020 24 2S -0.00305 0.00441 -0.00087 -0.00043 -0.00020 25 3S 0.03718 0.00160 0.00593 0.00900 -0.00845 26 4PX 0.00258 0.00350 -0.00018 0.00166 -0.00150 27 4PY -0.00187 -0.00437 0.00002 -0.00182 -0.00442 28 4PZ -0.00080 0.00661 -0.00402 0.00339 0.01101 29 5PX -0.00265 -0.00623 0.00080 -0.00190 0.01121 30 5PY 0.01431 0.00869 -0.00043 0.00597 0.00326 31 5PZ 0.00710 -0.02354 0.00857 -0.01717 -0.03755 32 6PX 0.01684 0.01607 -0.00396 0.00984 0.00423 33 6PY 0.00492 0.01041 0.00256 0.00252 0.00147 34 6PZ 0.00475 0.00744 -0.00935 0.00433 0.00956 35 7D 0 -0.04585 0.00864 -0.01796 -0.00658 -0.01835 36 7D+1 -0.01964 0.03489 -0.00781 0.08497 -0.03858 37 7D-1 0.02943 0.05516 0.03068 0.03280 0.03358 38 7D+2 -0.05208 -0.04020 -0.01157 -0.02186 -0.00200 39 7D-2 -0.00858 -0.00697 0.00606 -0.02758 -0.00132 40 8D 0 -0.01427 0.00260 -0.00423 -0.00251 -0.00498 41 8D+1 -0.00536 0.00981 -0.00220 0.02347 -0.01148 42 8D-1 0.00909 0.01786 0.00965 0.01024 0.01107 43 8D+2 -0.01606 -0.01175 -0.00403 -0.00631 -0.00082 44 8D-2 -0.00263 -0.00157 0.00206 -0.00815 -0.00070 45 3 Cu 1S 0.00024 -0.00055 0.00038 -0.00076 -0.00174 46 2S 0.00041 0.03748 -0.00919 0.02859 0.04256 47 3S 0.05248 0.01473 -0.00360 0.01055 0.00060 48 4PX -0.00015 0.01099 -0.00103 0.00364 0.00083 49 4PY -0.00624 -0.00011 -0.00433 -0.00563 -0.00062 50 4PZ -0.00292 0.00326 0.00021 -0.00459 -0.01013 51 5PX 0.00195 -0.03964 0.00365 -0.00457 0.01327 52 5PY 0.03018 -0.00225 0.01429 0.02284 0.00698 53 5PZ 0.02067 -0.02375 0.00171 0.00917 0.02375 54 6PX -0.00569 -0.01756 -0.00057 -0.00805 0.00502 55 6PY 0.01712 0.00389 0.00539 0.00776 -0.00089 56 6PZ 0.00108 -0.00257 -0.00140 0.00546 0.01110 57 7D 0 -0.03245 0.24774 -0.02205 -0.12525 -0.21270 58 7D+1 0.13298 0.10942 0.00081 0.07838 0.13275 59 7D-1 -0.18757 -0.02125 -0.04318 -0.16906 -0.11365 60 7D+2 0.13606 -0.18228 0.01708 -0.02144 0.11417 61 7D-2 0.13479 0.00767 0.13343 0.11365 -0.01148 62 8D 0 -0.01133 0.08136 -0.00733 -0.04245 -0.07094 63 8D+1 0.04330 0.03573 0.00031 0.02652 0.04328 64 8D-1 -0.06201 -0.00732 -0.01499 -0.05722 -0.03869 65 8D+2 0.04393 -0.05957 0.00541 -0.00612 0.03760 66 8D-2 0.04335 0.00309 0.04333 0.03771 -0.00250 67 4 Cu 1S 0.00097 -0.00263 0.00103 0.00033 0.00013 68 2S 0.01866 0.00126 0.01347 -0.00033 0.01816 69 3S 0.05112 -0.10861 0.04448 -0.01406 0.00605 70 4PX 0.00274 -0.00849 0.00520 -0.00630 -0.00701 71 4PY 0.00319 -0.00070 -0.00930 -0.00326 0.00762 72 4PZ -0.00116 -0.00171 0.00144 0.00833 0.00399 73 5PX -0.00845 0.01459 -0.01622 0.01908 0.02906 74 5PY -0.01762 0.00024 0.04238 0.01878 -0.02892 75 5PZ 0.00860 0.00088 -0.00328 -0.03319 -0.01870 76 6PX -0.00548 -0.00108 -0.01090 0.00192 0.01035 77 6PY -0.00957 -0.00802 0.01607 -0.00460 0.00289 78 6PZ 0.00480 -0.02048 0.00314 -0.00104 -0.01748 79 7D 0 -0.14081 0.00347 0.12770 0.16796 -0.03493 80 7D+1 0.21449 -0.25791 0.12576 -0.02664 0.15165 81 7D-1 0.08081 -0.05797 -0.26675 -0.12510 0.11263 82 7D+2 -0.05153 0.09803 0.07029 -0.03225 -0.16995 83 7D-2 0.08657 -0.14696 0.09741 0.12011 -0.08865 84 8D 0 -0.04552 0.00192 0.04203 0.05434 -0.00990 85 8D+1 0.06968 -0.08256 0.04070 -0.00875 0.04817 86 8D-1 0.02692 -0.01949 -0.08649 -0.03958 0.03580 87 8D+2 -0.01487 0.03115 0.02362 -0.01022 -0.05399 88 8D-2 0.02738 -0.04654 0.03102 0.03801 -0.02735 89 5 Cu 1S -0.00075 0.00001 -0.00028 0.00050 0.00108 90 2S -0.00328 -0.02233 -0.00693 -0.00382 -0.00453 91 3S -0.04552 -0.00839 -0.00886 0.01474 0.04517 92 4PX -0.00419 -0.00819 0.00244 -0.00020 0.00618 93 4PY -0.00554 -0.00279 0.00762 -0.00151 -0.00139 94 4PZ 0.00319 0.00219 0.00740 -0.00477 -0.00662 95 5PX 0.03169 0.03620 -0.01223 0.00011 -0.02686 96 5PY 0.02360 0.01583 -0.04360 0.01533 0.00048 97 5PZ -0.00930 -0.01253 -0.02985 0.01788 0.01744 98 6PX 0.00297 -0.00431 -0.00901 -0.00575 -0.01949 99 6PY 0.01609 0.00835 -0.02392 0.01725 0.00467 100 6PZ -0.00293 -0.00255 -0.01486 0.01001 -0.00423 101 7D 0 -0.14607 -0.20565 -0.15961 0.10103 0.12584 102 7D+1 0.09102 0.04683 -0.20702 0.01299 -0.09482 103 7D-1 0.33307 0.08431 0.02963 -0.13193 -0.12137 104 7D+2 0.16547 0.21230 -0.23131 0.21860 -0.11963 105 7D-2 0.01043 -0.04721 -0.15374 0.08219 0.04202 106 8D 0 -0.04914 -0.06855 -0.05220 0.03236 0.04071 107 8D+1 0.02988 0.01597 -0.06801 0.00503 -0.03171 108 8D-1 0.10935 0.02823 0.00964 -0.04202 -0.03830 109 8D+2 0.05500 0.06832 -0.07567 0.07121 -0.04014 110 8D-2 0.00372 -0.01525 -0.05038 0.02634 0.01326 111 6 Cu 1S -0.00029 0.00156 -0.00021 0.00040 0.00138 112 2S 0.01059 0.01108 0.00436 0.00408 0.00865 113 3S 0.00766 0.10585 -0.01671 0.01319 0.08028 114 4PX -0.00242 0.00209 -0.00178 0.00469 0.00004 115 4PY 0.00108 -0.00153 -0.00032 0.00271 -0.00615 116 4PZ -0.00107 -0.00452 -0.00936 -0.00891 -0.00412 117 5PX 0.00972 0.00454 0.00674 -0.02419 0.01059 118 5PY -0.00611 0.00510 0.01127 -0.02346 0.02502 119 5PZ 0.00055 0.02866 0.04987 0.03133 0.02075 120 6PX 0.00434 0.00443 0.00545 -0.00943 0.01153 121 6PY -0.00095 -0.00650 0.02480 -0.01497 0.00126 122 6PZ -0.00672 0.00775 0.03003 0.00041 0.01965 123 7D 0 -0.22260 -0.24031 -0.01115 0.02328 -0.28840 124 7D+1 0.11548 -0.23034 -0.20708 -0.02148 -0.18051 125 7D-1 0.11858 -0.08185 0.35756 0.27510 -0.23716 126 7D+2 -0.05661 0.11224 -0.15980 0.32332 -0.05563 127 7D-2 0.22507 -0.14355 -0.08097 -0.04795 -0.06449 128 8D 0 -0.07067 -0.07957 -0.00439 0.00812 -0.09361 129 8D+1 0.03637 -0.07535 -0.06914 -0.00661 -0.05891 130 8D-1 0.03847 -0.02652 0.11576 0.08981 -0.07749 131 8D+2 -0.01738 0.03703 -0.05234 0.10538 -0.01884 132 8D-2 0.07148 -0.04756 -0.02674 -0.01546 -0.02146 133 7 Cu 1S 0.00050 0.00123 -0.00073 0.00038 0.00056 134 2S 0.02234 0.01047 -0.00231 -0.00562 -0.01108 135 3S 0.01682 0.07785 -0.03513 0.01312 0.00651 136 4PX -0.00349 0.00086 0.00511 -0.00523 0.00522 137 4PY 0.00112 0.00050 0.00005 0.00566 -0.00573 138 4PZ -0.00878 0.00229 0.01107 -0.00173 0.00135 139 5PX 0.02121 0.01038 -0.02359 0.02910 -0.01705 140 5PY -0.00627 -0.00360 -0.00232 -0.03083 0.02672 141 5PZ 0.04569 -0.00615 -0.04267 0.00246 -0.01212 142 6PX 0.00870 0.01012 -0.01499 0.01104 -0.00866 143 6PY -0.00783 -0.01120 0.00486 -0.00730 0.00046 144 6PZ 0.00854 -0.02115 -0.00906 0.00234 -0.02003 145 7D 0 0.13173 -0.11520 -0.24743 -0.26345 0.12249 146 7D+1 -0.20993 -0.16562 0.17129 -0.06887 0.15126 147 7D-1 -0.06387 0.12303 0.00124 -0.14741 0.04901 148 7D+2 -0.12886 -0.10186 0.12943 -0.20924 0.19656 149 7D-2 0.11004 0.07334 -0.04663 -0.17642 0.07186 150 8D 0 0.04335 -0.03738 -0.07967 -0.08444 0.03825 151 8D+1 -0.06746 -0.05331 0.05583 -0.02180 0.04856 152 8D-1 -0.02074 0.03844 0.00109 -0.04631 0.01594 153 8D+2 -0.04108 -0.03207 0.04174 -0.06747 0.06312 154 8D-2 0.03496 0.02364 -0.01467 -0.05572 0.02281 155 8 Cu 1S -0.00033 0.00006 0.00052 -0.00067 -0.00121 156 2S 0.02372 -0.04145 0.01065 0.01875 -0.01106 157 3S 0.00716 -0.07602 0.02427 0.02649 -0.04676 158 4PX 0.00065 -0.00617 -0.00483 0.00178 -0.01128 159 4PY 0.00140 0.00171 0.00195 -0.00374 0.00543 160 4PZ 0.00210 -0.00768 -0.00551 0.01194 0.00162 161 5PX 0.00121 0.03647 0.02900 -0.00751 0.05342 162 5PY -0.00092 -0.01478 -0.02282 0.02507 -0.01469 163 5PZ 0.00097 0.03192 0.02850 -0.04575 0.00189 164 6PX -0.00948 0.00318 0.02600 -0.00200 0.01861 165 6PY -0.01053 0.00247 -0.02316 0.01371 -0.00408 166 6PZ -0.01297 0.01939 0.00978 -0.01996 0.00533 167 7D 0 -0.11949 0.19633 0.21018 -0.28996 -0.10475 168 7D+1 -0.09568 0.27678 0.07726 0.07508 0.36703 169 7D-1 0.08724 -0.01779 0.10919 -0.16470 -0.17597 170 7D+2 0.21904 0.12147 0.14735 -0.16394 0.13101 171 7D-2 0.12785 -0.11599 0.32123 0.02464 0.03557 172 8D 0 -0.03883 0.06426 0.06897 -0.09507 -0.03505 173 8D+1 -0.02968 0.09034 0.02669 0.02548 0.12150 174 8D-1 0.02607 -0.00556 0.03509 -0.05439 -0.05912 175 8D+2 0.06968 0.03928 0.04804 -0.05301 0.04256 176 8D-2 0.04102 -0.03621 0.10305 0.00808 0.01219 177 9 C 1S 0.00422 0.00386 0.00153 0.00228 0.00244 178 2S -0.00869 -0.00822 -0.00327 -0.00466 -0.00458 179 3S -0.02191 -0.01921 -0.00879 -0.01344 -0.01696 180 4PX -0.00237 -0.00280 -0.00101 -0.00072 0.00345 181 4PY -0.01266 -0.01034 -0.00480 -0.00628 -0.00407 182 4PZ -0.00053 -0.01029 0.00066 -0.00283 -0.01339 183 5PX -0.00527 -0.00282 -0.00174 -0.00137 0.00071 184 5PY 0.00080 -0.00224 0.00085 -0.00007 -0.00303 185 5PZ 0.00171 -0.00373 0.00029 -0.00070 -0.00421 186 10 O 1S -0.00110 -0.00082 -0.00040 -0.00057 -0.00052 187 2S 0.00259 0.00240 0.00084 0.00142 0.00155 188 3S 0.00731 0.00353 0.00308 0.00352 0.00214 189 4PX 0.00465 0.00495 0.00133 0.00182 -0.00388 190 4PY 0.01088 0.00726 0.00416 0.00488 0.00170 191 4PZ 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0.06630 0.00905 16 7D+2 0.02961 -0.14832 0.01108 -0.01487 -0.01882 17 7D-2 -0.03273 0.01223 -0.11692 0.04712 0.02052 18 8D 0 -0.00169 0.01915 0.03140 0.02207 -0.00059 19 8D+1 -0.01386 -0.00679 -0.01840 -0.01112 0.01327 20 8D-1 -0.04464 -0.02583 0.02641 0.02365 0.00140 21 8D+2 0.01002 -0.05011 0.00555 -0.00596 -0.00769 22 8D-2 -0.00996 0.00314 -0.03868 0.01332 0.00723 23 2 Cu 1S -0.00079 -0.00023 0.00083 0.00085 -0.00130 24 2S 0.06464 -0.13424 0.10920 0.02180 -0.04316 25 3S -0.01897 -0.01789 0.03885 -0.01041 0.00803 26 4PX 0.00073 0.01020 0.04501 -0.03796 -0.04436 27 4PY -0.03000 0.03121 -0.00278 -0.00289 -0.01507 28 4PZ 0.03274 0.02684 -0.02781 -0.05294 0.01136 29 5PX -0.00033 -0.02746 -0.14637 0.14403 0.18376 30 5PY 0.06707 -0.09156 0.01254 -0.00542 0.03751 31 5PZ -0.09872 -0.08172 0.09433 0.20474 -0.06294 32 6PX -0.01791 0.01346 0.03922 -0.00747 -0.04309 33 6PY 0.01393 -0.03193 0.03211 0.02868 -0.03116 34 6PZ 0.07205 0.02667 -0.05361 -0.21763 0.08548 35 7D 0 -0.04101 0.08139 -0.00709 0.06791 -0.05345 36 7D+1 -0.00592 -0.00221 -0.01870 -0.02336 0.06504 37 7D-1 0.12695 -0.01618 0.01165 0.08831 -0.01879 38 7D+2 -0.05054 0.04105 -0.06047 0.01161 -0.12610 39 7D-2 -0.06447 0.08014 0.00171 0.07115 0.09427 40 8D 0 -0.01178 0.02685 -0.00447 0.01572 -0.01243 41 8D+1 -0.00529 0.00010 -0.00333 -0.00519 0.01318 42 8D-1 0.04378 -0.00377 0.00273 0.01866 -0.00527 43 8D+2 -0.01563 0.01456 -0.02354 0.00547 -0.02794 44 8D-2 -0.02175 0.02923 0.00219 0.01361 0.01779 45 3 Cu 1S -0.00117 -0.00008 -0.00355 -0.00194 0.00297 46 2S 0.28790 -0.09224 -0.19296 -0.07040 0.10302 47 3S 0.04806 -0.03678 -0.09501 -0.00851 -0.02001 48 4PX 0.01682 0.00905 0.00982 -0.00888 -0.02083 49 4PY 0.00173 -0.00536 0.00708 -0.02533 0.02517 50 4PZ -0.01053 0.01481 0.00266 -0.02339 0.01436 51 5PX -0.02294 -0.03512 -0.04326 0.01885 0.08840 52 5PY -0.00170 0.01480 -0.02896 0.07423 -0.09770 53 5PZ -0.00935 -0.03072 0.00554 0.09251 -0.10772 54 6PX -0.00046 0.00600 -0.02125 0.01229 0.09561 55 6PY -0.03955 0.00971 0.03241 0.09437 -0.09809 56 6PZ -0.00525 -0.00179 0.01916 0.05665 -0.02587 57 7D 0 0.00852 0.11282 0.00575 -0.04908 0.00122 58 7D+1 0.02844 0.01870 0.04091 0.00843 -0.01829 59 7D-1 -0.02383 -0.02595 0.03107 -0.02394 0.04413 60 7D+2 -0.02989 -0.02713 -0.05454 0.00555 0.01801 61 7D-2 -0.01772 0.03427 -0.03439 0.05792 0.00701 62 8D 0 0.00551 0.03586 0.00006 -0.01706 -0.00014 63 8D+1 0.00488 0.00634 0.01644 0.00384 -0.00723 64 8D-1 -0.00677 -0.00850 0.00898 -0.01086 0.01414 65 8D+2 -0.00807 -0.00962 -0.01816 0.00150 0.00676 66 8D-2 -0.00582 0.01040 -0.01172 0.01814 0.00129 67 4 Cu 1S -0.00226 0.00118 0.00045 -0.00097 0.00023 68 2S 0.18950 0.15549 0.14018 -0.03708 -0.04065 69 3S -0.07396 0.04193 0.02629 0.01218 -0.00278 70 4PX -0.02748 0.02554 0.02199 0.01249 0.01691 71 4PY 0.00451 -0.02018 0.02280 -0.04183 -0.00153 72 4PZ 0.01564 -0.00838 -0.02444 -0.01621 0.00363 73 5PX 0.05261 -0.07129 -0.07438 -0.02668 -0.05763 74 5PY -0.01364 0.04945 -0.06732 0.12055 0.00369 75 5PZ -0.06732 0.01496 0.05168 0.05884 -0.00851 76 6PX 0.00911 -0.00004 -0.02320 -0.04437 0.02598 77 6PY -0.02503 -0.01065 -0.00197 0.15600 0.00824 78 6PZ -0.03509 -0.03054 -0.01349 0.02367 -0.04295 79 7D 0 0.16632 -0.00369 -0.07660 0.00440 -0.01362 80 7D+1 0.03324 0.09010 -0.00129 -0.02203 0.05635 81 7D-1 0.05400 -0.08668 0.09179 -0.03470 -0.01434 82 7D+2 -0.14354 0.09101 0.04603 0.00587 -0.03922 83 7D-2 -0.00018 0.01249 0.04316 -0.03051 0.02941 84 8D 0 0.05919 0.00008 -0.02449 0.00048 -0.00457 85 8D+1 0.01074 0.03265 0.00142 -0.00745 0.01484 86 8D-1 0.01854 -0.02875 0.03113 -0.01104 -0.00475 87 8D+2 -0.04568 0.03074 0.01561 -0.00043 -0.01212 88 8D-2 0.00028 0.00269 0.01434 -0.01061 0.00855 89 5 Cu 1S 0.00124 -0.00050 -0.00141 -0.00105 0.00294 90 2S -0.16059 -0.27878 0.03985 0.00948 0.06351 91 3S -0.00606 -0.06918 0.00547 -0.03254 0.05392 92 4PX -0.01148 0.00588 0.01837 -0.02131 0.00805 93 4PY 0.01205 -0.00772 0.03228 0.02672 0.01094 94 4PZ 0.00803 -0.01467 0.00984 0.02980 -0.01682 95 5PX 0.02373 -0.03327 -0.04883 0.07907 -0.03730 96 5PY -0.02886 0.02825 -0.09290 -0.07758 -0.04773 97 5PZ -0.04503 0.01275 -0.01320 -0.08819 0.06890 98 6PX -0.01297 -0.03471 -0.00413 0.05373 0.05014 99 6PY 0.02641 0.03284 -0.02579 -0.18539 0.03192 100 6PZ -0.00269 -0.00725 -0.00589 -0.08183 0.04076 101 7D 0 -0.16050 0.07139 -0.01997 -0.04842 0.01038 102 7D+1 -0.00390 -0.05119 -0.08725 0.00845 0.02684 103 7D-1 0.02954 0.04205 -0.06985 0.00146 -0.01586 104 7D+2 -0.06360 -0.00827 -0.08412 0.00906 -0.05499 105 7D-2 -0.06711 0.06078 -0.05388 -0.00248 0.02325 106 8D 0 -0.05472 0.02087 -0.00638 -0.01377 0.00362 107 8D+1 -0.00338 -0.02039 -0.02807 0.00337 0.00940 108 8D-1 0.00945 0.01685 -0.02478 -0.00138 -0.00508 109 8D+2 -0.02055 -0.00396 -0.02756 0.00366 -0.01619 110 8D-2 -0.02070 0.02066 -0.01774 -0.00035 0.00649 111 6 Cu 1S 0.00171 -0.00032 -0.00107 0.00366 0.00247 112 2S -0.07495 0.30756 -0.05266 0.16252 0.07312 113 3S 0.01958 0.02620 0.01265 0.04339 0.00275 114 4PX 0.00495 0.00082 0.01978 -0.00067 0.03526 115 4PY 0.00548 0.00750 0.02886 -0.00116 0.01350 116 4PZ 0.02714 0.00510 0.01471 0.02711 -0.01276 117 5PX -0.00028 -0.03436 -0.05398 -0.01929 -0.13432 118 5PY -0.02858 0.00646 -0.08717 0.02800 -0.03431 119 5PZ -0.08091 -0.01980 -0.04246 -0.10390 0.04651 120 6PX -0.00472 -0.01867 0.00421 -0.00643 -0.04260 121 6PY -0.01798 0.03128 -0.00223 0.05850 0.00272 122 6PZ -0.01634 -0.01910 0.02017 0.07004 -0.00547 123 7D 0 0.05579 -0.02533 0.04220 0.02176 -0.02892 124 7D+1 0.20960 0.02447 0.03412 0.02852 0.00684 125 7D-1 -0.10105 -0.05894 0.00427 -0.01481 0.03955 126 7D+2 0.04590 0.03299 0.13516 -0.01643 0.05318 127 7D-2 0.05700 -0.05747 0.02327 0.01256 -0.01535 128 8D 0 0.01840 -0.00872 0.01382 0.00613 -0.00873 129 8D+1 0.06865 0.01086 0.01195 0.00950 0.00315 130 8D-1 -0.03464 -0.01889 0.00160 -0.00473 0.01108 131 8D+2 0.01635 0.01089 0.04441 -0.00423 0.01625 132 8D-2 0.01956 -0.02209 0.00828 0.00162 -0.00513 133 7 Cu 1S 0.00101 0.00104 0.00066 -0.00248 0.00646 134 2S -0.08485 0.02827 0.27381 -0.05963 0.12735 135 3S 0.03658 0.02415 -0.01659 0.01337 0.16204 136 4PX 0.00398 0.03768 -0.00376 -0.00554 0.02837 137 4PY 0.01024 -0.02828 0.02648 -0.00902 -0.01449 138 4PZ 0.02805 0.02334 0.01931 0.01115 -0.02532 139 5PX -0.00170 -0.08691 -0.02447 0.02601 -0.09647 140 5PY -0.01855 0.06437 -0.07608 0.03702 0.02814 141 5PZ -0.07469 -0.06007 -0.02773 -0.04320 0.08126 142 6PX 0.00997 -0.03210 -0.03541 0.03177 -0.05995 143 6PY 0.01404 0.03278 -0.07711 -0.04087 0.06704 144 6PZ -0.03252 -0.01125 0.01804 -0.03232 0.06009 145 7D 0 -0.14133 -0.04364 -0.05673 0.05449 -0.01322 146 7D+1 0.18693 0.01610 0.00709 -0.00378 -0.04620 147 7D-1 0.06405 0.06848 -0.00171 0.08490 0.01285 148 7D+2 -0.04485 0.19451 -0.04533 -0.01553 -0.00459 149 7D-2 0.00533 0.01721 0.09501 0.02546 0.01901 150 8D 0 -0.04938 -0.01602 -0.01718 0.01650 -0.00347 151 8D+1 0.06388 0.00469 0.00065 -0.00118 -0.01383 152 8D-1 0.02172 0.02477 -0.00417 0.02555 0.00270 153 8D+2 -0.01534 0.06625 -0.01151 -0.00499 -0.00243 154 8D-2 0.00373 0.00381 0.03150 0.00753 0.00489 155 8 Cu 1S 0.00254 -0.00035 -0.00258 -0.00590 -0.00077 156 2S -0.21771 0.05278 -0.23228 -0.19927 -0.04937 157 3S 0.06630 -0.02807 -0.09540 -0.11182 0.00058 158 4PX 0.00200 0.02645 0.00814 0.00082 0.02726 159 4PY -0.01178 -0.01769 0.01184 -0.00487 0.01377 160 4PZ -0.00427 0.01877 -0.00857 0.03281 -0.02140 161 5PX -0.00127 -0.08092 -0.02968 -0.00044 -0.08882 162 5PY 0.00182 0.06151 -0.05337 -0.00598 -0.05328 163 5PZ -0.02996 -0.04197 0.00792 -0.14967 0.05627 164 6PX 0.00027 -0.00419 0.00956 0.04044 -0.00865 165 6PY 0.00097 0.01640 -0.02445 -0.10630 0.01288 166 6PZ -0.02222 -0.00668 -0.00934 0.00438 0.00730 167 7D 0 -0.03197 -0.10574 0.03825 -0.03590 0.05266 168 7D+1 -0.04791 -0.10252 -0.02400 0.00401 -0.04408 169 7D-1 -0.00517 -0.00178 -0.04261 -0.02581 0.01814 170 7D+2 -0.01216 -0.08871 0.05679 -0.01887 0.00269 171 7D-2 -0.04119 -0.08820 -0.04104 0.00975 -0.02565 172 8D 0 -0.01399 -0.03401 0.00872 -0.01401 0.01638 173 8D+1 -0.01539 -0.03538 -0.00744 0.00139 -0.01522 174 8D-1 -0.00363 0.00012 -0.01508 -0.01041 0.00556 175 8D+2 -0.00512 -0.02943 0.01678 -0.00508 0.00137 176 8D-2 -0.01122 -0.02937 -0.01041 0.00359 -0.00844 177 9 C 1S 0.01793 -0.02207 0.01349 -0.00301 0.00423 178 2S -0.04134 0.05402 -0.03377 0.00820 -0.01018 179 3S -0.07461 0.07881 -0.04620 0.01115 -0.03355 180 4PX 0.01790 -0.04215 -0.08321 0.21580 0.40971 181 4PY -0.03854 0.05752 -0.06395 0.00859 0.10041 182 4PZ -0.05749 -0.03022 0.05255 0.31240 -0.14098 183 5PX 0.00963 -0.01823 -0.04260 0.12070 0.23990 184 5PY -0.01124 0.01341 -0.02027 0.00706 0.05200 185 5PZ -0.02478 -0.01672 0.02575 0.17288 -0.08276 186 10 O 1S -0.00360 0.00433 -0.00257 0.00025 0.00007 187 2S 0.01221 -0.01482 0.00877 -0.00156 0.00053 188 3S 0.00809 -0.00917 0.00570 0.00234 -0.00338 189 4PX -0.01536 0.03899 0.08321 -0.16574 -0.29882 190 4PY 0.02151 -0.03585 0.04852 -0.00544 -0.07525 191 4PZ 0.06472 0.03574 -0.05300 -0.24024 0.10239 192 5PX -0.00880 0.02384 0.05618 -0.12057 -0.22105 193 5PY 0.00371 -0.01066 0.02451 -0.00258 -0.05445 194 5PZ 0.03937 0.02448 -0.03475 -0.17030 0.07480 86 87 88 89 90 V V V V V EIGENVALUES -- -0.08178 -0.07484 -0.05765 -0.04991 -0.03818 1 1 Cu 1S -0.00271 0.00040 -0.00281 -0.00521 0.00456 2 2S -0.18250 -0.00071 -0.04290 -0.13584 0.03123 3 3S 0.27551 0.07304 -0.13131 -0.04781 0.09155 4 4PX -0.01122 0.00385 0.01199 -0.01695 -0.05858 5 4PY -0.02012 -0.00419 0.01108 0.03360 -0.01265 6 4PZ 0.01535 -0.01654 -0.00655 0.00151 -0.01814 7 5PX 0.01968 -0.03948 -0.06219 0.01249 0.21779 8 5PY 0.00301 0.00570 0.00679 -0.07203 0.06528 9 5PZ -0.06722 0.10345 0.06796 0.03740 0.06335 10 6PX -0.09301 0.06016 0.01750 0.03931 -0.04426 11 6PY -0.02339 -0.11372 -0.07144 -0.08586 0.18890 12 6PZ 0.29574 -0.21067 -0.03889 -0.28090 -0.00818 13 7D 0 -0.06726 -0.04013 -0.00194 0.06902 0.02364 14 7D+1 -0.00724 -0.11144 0.00092 -0.02237 -0.00460 15 7D-1 0.02508 0.01052 -0.06423 -0.03151 -0.01518 16 7D+2 -0.02041 -0.00753 0.04248 0.07528 -0.02455 17 7D-2 0.00901 -0.00320 -0.02412 0.05101 -0.01199 18 8D 0 -0.02200 -0.01103 -0.00089 0.01921 0.00862 19 8D+1 0.00069 -0.03214 0.00068 -0.00439 -0.00343 20 8D-1 0.00561 0.00205 -0.01938 -0.01164 -0.00471 21 8D+2 -0.00511 -0.00295 0.01282 0.02384 -0.00808 22 8D-2 0.00240 -0.00239 -0.00520 0.01254 -0.00374 23 2 Cu 1S -0.00234 -0.00230 0.00242 0.00753 -0.00126 24 2S -0.10270 -0.07413 0.09069 0.24102 -0.03491 25 3S -0.02742 -0.01171 0.03703 0.11266 0.08364 26 4PX 0.00283 -0.01078 0.00227 -0.00062 -0.00507 27 4PY 0.03651 0.00125 -0.01252 -0.02962 0.00627 28 4PZ -0.02475 0.01159 0.00033 -0.00025 0.00283 29 5PX -0.01609 0.04810 0.01094 -0.01672 -0.00621 30 5PY -0.11530 0.00103 0.06057 0.13622 0.01989 31 5PZ 0.12504 -0.04079 0.04014 0.01015 -0.00264 32 6PX 0.04569 -0.04124 -0.06306 -0.04070 0.02613 33 6PY 0.01410 -0.05380 0.05298 0.07430 -0.03131 34 6PZ -0.25499 0.09128 -0.10202 0.13736 -0.01624 35 7D 0 -0.00787 -0.01890 0.04205 -0.06216 0.05690 36 7D+1 -0.03949 -0.04223 -0.02612 -0.03709 -0.01221 37 7D-1 0.11451 -0.05444 0.11576 0.01705 -0.00275 38 7D+2 0.03076 -0.02044 -0.04991 -0.05270 -0.03574 39 7D-2 -0.03701 0.05598 0.09579 -0.07554 -0.04715 40 8D 0 -0.00176 -0.00219 0.00676 -0.01609 0.01208 41 8D+1 -0.00697 -0.00847 -0.00614 -0.00854 -0.00330 42 8D-1 0.02467 -0.01124 0.02453 0.00679 -0.00189 43 8D+2 0.00869 -0.00238 -0.01296 -0.01749 -0.00718 44 8D-2 -0.00633 0.01218 0.01756 -0.02119 -0.00998 45 3 Cu 1S 0.01115 -0.00843 -0.00169 -0.00301 0.00271 46 2S 0.17767 -0.19778 -0.03584 -0.03678 -0.00548 47 3S 0.22411 -0.25607 -0.01751 -0.17255 0.12178 48 4PX -0.00325 0.03297 0.02702 0.00300 -0.05363 49 4PY -0.01992 0.00487 0.02089 0.04250 -0.00674 50 4PZ 0.04831 -0.00229 -0.00048 -0.02136 -0.01764 51 5PX 0.01978 -0.16253 -0.11598 -0.00932 0.19799 52 5PY 0.05002 -0.00400 -0.06518 -0.17025 0.03605 53 5PZ -0.19849 0.04411 0.03070 0.08576 0.08783 54 6PX 0.04435 -0.06382 -0.08285 -0.04237 0.20569 55 6PY 0.17560 -0.07307 -0.03530 -0.13129 0.04470 56 6PZ -0.08590 0.03023 -0.00399 0.05147 0.07299 57 7D 0 0.03639 0.02423 0.01420 -0.01283 -0.02291 58 7D+1 -0.04968 -0.02035 0.00063 -0.00064 -0.02278 59 7D-1 -0.01970 0.00292 0.02307 0.04299 -0.01580 60 7D+2 -0.03276 -0.03162 -0.02696 0.00614 0.02435 61 7D-2 0.01181 0.00362 -0.02355 -0.02827 -0.01824 62 8D 0 0.01253 0.00600 0.00555 -0.00327 -0.00740 63 8D+1 -0.01617 -0.00458 -0.00031 0.00055 -0.00618 64 8D-1 -0.00756 0.00276 0.00812 0.01399 -0.00364 65 8D+2 -0.00909 -0.00822 -0.00739 0.00138 0.00884 66 8D-2 0.00479 0.00032 -0.00693 -0.00840 -0.00525 67 4 Cu 1S 0.00645 0.01077 0.00624 -0.00169 0.00172 68 2S 0.07183 0.26929 0.14593 -0.02902 -0.00789 69 3S 0.15515 0.16673 0.15486 -0.02175 0.16011 70 4PX 0.01340 0.02599 -0.01204 -0.00790 0.05938 71 4PY -0.01180 -0.01190 0.03515 0.03167 0.02695 72 4PZ 0.04787 0.02806 0.00972 0.00460 -0.01994 73 5PX -0.03299 -0.12589 0.03276 0.00435 -0.20317 74 5PY 0.02219 0.02887 -0.14219 -0.07926 -0.09377 75 5PZ -0.18189 -0.14476 -0.06062 -0.00790 0.09082 76 6PX -0.07083 -0.09710 -0.18519 0.01085 -0.11410 77 6PY 0.08271 -0.02171 0.09189 -0.12873 -0.13187 78 6PZ -0.05525 -0.07041 0.05085 0.02245 -0.04170 79 7D 0 0.01610 0.01642 -0.02406 0.03740 0.00554 80 7D+1 0.06492 -0.01718 -0.00899 -0.02965 0.02661 81 7D-1 0.01102 -0.01888 0.01764 0.02111 0.02477 82 7D+2 0.00420 0.02478 -0.01391 -0.00219 -0.01172 83 7D-2 -0.01593 0.01593 -0.01133 0.07119 -0.00495 84 8D 0 0.00376 0.00705 -0.00646 0.01003 0.00257 85 8D+1 0.01784 -0.00145 -0.00119 -0.01002 0.00833 86 8D-1 0.00211 -0.00465 0.00571 0.00937 0.00811 87 8D+2 0.00216 0.00664 -0.00302 -0.00279 -0.00357 88 8D-2 -0.00653 0.00377 -0.00262 0.01947 0.00079 89 5 Cu 1S 0.00600 0.00858 -0.00949 0.00260 -0.00248 90 2S 0.11529 0.19244 -0.17695 0.03638 -0.08828 91 3S 0.04977 0.16835 -0.28441 0.09879 -0.00196 92 4PX -0.00399 -0.03376 0.01189 -0.03627 -0.04216 93 4PY 0.02052 -0.01935 -0.01404 0.03588 -0.02817 94 4PZ -0.04162 -0.02784 0.01760 0.01678 0.00881 95 5PX 0.01932 0.14781 -0.07074 0.14948 0.13395 96 5PY -0.07083 0.04227 0.07600 -0.13091 0.12236 97 5PZ 0.17929 0.14486 -0.06678 -0.03853 -0.06512 98 6PX 0.04373 0.05383 0.00925 0.09561 0.18672 99 6PY -0.22343 0.06444 -0.09907 0.02917 0.12212 100 6PZ 0.00767 0.10063 -0.15623 0.02054 -0.06685 101 7D 0 0.03915 -0.00462 -0.01132 -0.04901 0.00445 102 7D+1 0.02108 0.01101 -0.00559 0.01119 0.02701 103 7D-1 -0.05110 0.00899 -0.04040 -0.03528 0.00521 104 7D+2 0.00341 0.04235 0.03139 0.01107 0.02676 105 7D-2 -0.00787 0.00911 0.01610 -0.00771 -0.03313 106 8D 0 0.01175 -0.00033 -0.00576 -0.01604 -0.00038 107 8D+1 0.00788 0.00454 -0.00238 0.00257 0.00820 108 8D-1 -0.01636 0.00433 -0.01019 -0.00960 0.00132 109 8D+2 0.00080 0.01272 0.00806 0.00185 0.00931 110 8D-2 -0.00320 0.00212 0.00373 -0.00364 -0.00810 111 6 Cu 1S 0.00323 -0.00118 -0.00656 0.01192 -0.00122 112 2S 0.01878 -0.04161 -0.16688 0.15338 -0.06252 113 3S 0.05473 -0.02852 -0.16267 0.31720 0.05593 114 4PX 0.02055 -0.00044 -0.01758 0.03795 0.03475 115 4PY -0.01661 0.01052 0.00584 -0.05731 0.02196 116 4PZ 0.01216 0.04709 -0.02360 -0.01087 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0.00966 0.00542 0.00279 156 2S 0.03502 -0.01372 0.22424 0.02675 0.01341 157 3S 0.06700 0.00158 0.25843 0.25800 0.08065 158 4PX 0.00395 -0.04315 0.00219 0.02559 -0.03952 159 4PY -0.00894 0.01281 -0.02285 -0.05017 -0.01694 160 4PZ -0.03089 -0.01418 -0.02302 -0.01249 -0.01225 161 5PX -0.01463 0.13987 -0.01219 -0.10638 0.14877 162 5PY 0.01459 -0.03744 0.11688 0.17251 0.06216 163 5PZ 0.09558 0.06605 0.14614 0.04277 0.03818 164 6PX 0.02636 0.08902 0.10567 -0.01953 0.07563 165 6PY -0.04044 0.03031 0.00491 0.16236 0.06634 166 6PZ 0.10447 -0.01592 0.13836 0.03395 0.05053 167 7D 0 0.01990 -0.01018 -0.00423 0.02052 0.01963 168 7D+1 -0.01847 0.01297 0.01364 -0.03450 0.03064 169 7D-1 0.06042 0.00918 -0.02475 0.01932 -0.01339 170 7D+2 0.00174 0.01227 0.00435 -0.02740 -0.04713 171 7D-2 -0.00055 0.04575 -0.01720 0.04281 0.00230 172 8D 0 0.00799 -0.00404 -0.00046 0.00463 0.00420 173 8D+1 -0.00705 0.00635 0.00427 -0.00729 0.00890 174 8D-1 0.01902 0.00023 -0.00457 0.00670 -0.00124 175 8D+2 0.00000 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92 93 94 95 V V V V V EIGENVALUES -- -0.02482 -0.01851 -0.00348 0.00349 0.01709 1 1 Cu 1S 0.00362 0.00106 -0.00246 -0.00396 0.00018 2 2S 0.02378 0.03288 -0.05989 -0.10592 0.00369 3 3S 0.07013 -0.02932 -0.04621 -0.52470 0.26678 4 4PX -0.01145 -0.01793 0.04522 0.01670 -0.00470 5 4PY -0.03944 0.02364 -0.01471 0.02420 0.01500 6 4PZ 0.03622 0.06868 0.01763 -0.00140 0.01056 7 5PX 0.03400 0.05580 -0.09860 -0.05415 0.04393 8 5PY 0.20323 -0.06834 0.00905 -0.02338 -0.07512 9 5PZ -0.08537 -0.16128 -0.01834 -0.00920 -0.03648 10 6PX 0.25566 -0.14239 -0.04419 -0.12437 -0.23686 11 6PY -0.02659 0.11266 -0.05365 -0.05600 0.45418 12 6PZ -0.13186 0.18099 -0.28055 0.03662 1.19434 13 7D 0 0.02053 -0.02649 0.04806 0.01173 0.02353 14 7D+1 -0.00910 -0.00731 -0.01752 -0.01636 0.01661 15 7D-1 0.00032 -0.02116 -0.03268 0.03905 0.04260 16 7D+2 0.05004 -0.03124 -0.03389 0.00461 -0.02062 17 7D-2 -0.00983 -0.01102 -0.00405 -0.03770 0.00417 18 8D 0 0.00595 -0.00722 0.01481 0.00437 0.00877 19 8D+1 -0.00343 -0.00103 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-0.00535 0.03141 0.01240 60 7D+2 0.01650 -0.00017 -0.00811 -0.00465 -0.01590 61 7D-2 0.00435 0.01084 0.01077 0.00933 0.00678 62 8D 0 0.00325 -0.00094 0.00449 -0.00202 -0.00412 63 8D+1 0.00038 0.00256 0.00912 0.00765 -0.00118 64 8D-1 -0.00628 -0.00211 -0.00054 0.00690 -0.00008 65 8D+2 0.00218 0.00115 -0.00407 -0.00037 -0.00265 66 8D-2 0.00046 0.00374 0.00138 0.00135 0.00155 67 4 Cu 1S -0.00041 -0.00240 -0.00322 -0.00262 0.00476 68 2S -0.01798 0.04711 0.06340 0.00805 0.06093 69 3S 0.16311 0.04298 0.26698 -0.11343 0.38487 70 4PX -0.01023 -0.02735 -0.00409 0.01981 0.02030 71 4PY 0.00377 -0.02509 -0.00136 -0.02399 -0.01496 72 4PZ 0.00574 -0.01830 -0.05436 -0.03772 0.01580 73 5PX 0.02980 0.07877 0.08423 -0.06524 -0.08088 74 5PY -0.00658 0.10429 -0.02694 0.16244 0.05383 75 5PZ 0.03560 0.12541 0.24705 0.12542 -0.13002 76 6PX -0.00156 0.24463 0.17442 0.00682 0.19780 77 6PY -0.02834 0.07786 -0.01679 0.24468 -0.16940 78 6PZ 0.02635 0.10733 0.39469 0.24459 -0.75480 79 7D 0 0.02824 0.04542 -0.01277 -0.01216 -0.04065 80 7D+1 -0.01188 -0.00207 0.02267 -0.01354 -0.02799 81 7D-1 0.04470 0.00234 -0.02355 0.04166 0.00549 82 7D+2 0.02929 -0.04410 0.02624 0.02100 -0.01103 83 7D-2 -0.04914 -0.01214 -0.00501 0.02844 -0.03927 84 8D 0 0.01003 0.01558 -0.00397 -0.00521 -0.01105 85 8D+1 -0.00298 0.00003 0.00679 -0.00438 -0.00545 86 8D-1 0.01158 -0.00038 -0.00631 0.01184 -0.00106 87 8D+2 0.00656 -0.01244 0.00942 0.00720 -0.00190 88 8D-2 -0.01104 -0.00382 -0.00235 0.00671 -0.00934 89 5 Cu 1S 0.00040 0.00203 0.00526 -0.00246 0.00050 90 2S -0.05091 -0.05555 -0.04231 0.02389 0.00299 91 3S 0.15663 -0.12487 -0.13478 -0.09941 -0.02209 92 4PX 0.01392 -0.00675 -0.02943 0.02474 -0.01614 93 4PY 0.04649 -0.00094 0.02535 -0.00281 0.03823 94 4PZ -0.01141 -0.03633 -0.03824 0.01337 0.03516 95 5PX -0.08005 0.02037 0.17301 -0.10188 0.08546 96 5PY -0.14685 0.02307 -0.13397 0.05845 -0.17050 97 5PZ 0.02391 0.15947 0.20907 -0.03467 -0.15613 98 6PX -0.10192 -0.00557 0.35212 -0.22908 0.26043 99 6PY -0.10859 0.00182 -0.16880 0.19030 -0.38178 100 6PZ 0.11920 0.21783 0.45881 -0.13034 -0.30945 101 7D 0 0.01688 -0.03077 -0.00428 -0.01835 0.00420 102 7D+1 -0.00421 0.03037 -0.03948 -0.02287 0.00898 103 7D-1 -0.00998 -0.02371 0.00256 -0.05555 -0.00299 104 7D+2 -0.00393 -0.02087 0.00433 0.00611 -0.01688 105 7D-2 -0.05671 0.00683 0.01779 -0.01278 0.03196 106 8D 0 0.00347 -0.00781 -0.00212 -0.00437 -0.00204 107 8D+1 -0.00195 0.00630 -0.01220 -0.00558 0.00077 108 8D-1 -0.00631 -0.00667 0.00214 -0.01443 -0.00099 109 8D+2 -0.00184 -0.00516 -0.00044 -0.00155 -0.00508 110 8D-2 -0.01500 0.00175 0.00404 -0.00420 0.00436 111 6 Cu 1S -0.00117 -0.00034 -0.00257 0.00145 -0.00677 112 2S -0.08236 -0.03096 0.09051 -0.01074 -0.05984 113 3S 0.04090 -0.05172 0.20045 -0.17253 -0.21116 114 4PX -0.02343 0.02355 -0.03666 0.01165 -0.01151 115 4PY -0.04073 0.02279 0.02700 0.00772 0.02805 116 4PZ 0.01604 0.01023 -0.00055 0.04897 -0.03091 117 5PX 0.12065 -0.06892 0.16889 -0.05446 0.08891 118 5PY 0.13371 -0.07973 -0.09935 0.03220 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0.09503 -0.01356 0.07605 0.06382 0.07951 25 3S 0.95396 0.18015 0.23364 0.23771 0.55175 26 4PX 0.00683 0.00131 -0.00591 0.01085 -0.01862 27 4PY -0.00884 0.00634 -0.00945 -0.00769 -0.01965 28 4PZ 0.01229 -0.00217 -0.00364 -0.00684 0.02422 29 5PX -0.03270 -0.01897 0.03918 -0.03009 0.06793 30 5PY 0.05168 -0.04084 0.14161 0.09469 0.18522 31 5PZ -0.03560 0.03053 0.01108 0.05804 -0.16481 32 6PX 0.93192 0.28320 -0.62303 -0.99228 1.03968 33 6PY 0.37506 0.48913 -0.34521 -0.32950 -0.30769 34 6PZ -0.28139 -0.35975 -0.49615 0.11128 -0.89632 35 7D 0 0.01030 -0.00804 0.00303 -0.02195 -0.00856 36 7D+1 -0.00284 -0.03573 -0.00453 0.00296 -0.02826 37 7D-1 0.01280 -0.00473 0.00429 0.00488 0.03164 38 7D+2 -0.01663 -0.00066 -0.02092 -0.00068 0.00327 39 7D-2 -0.00237 0.00496 -0.02771 0.00079 -0.01450 40 8D 0 0.00155 -0.00461 -0.00116 -0.00195 0.00008 41 8D+1 -0.00275 -0.01322 -0.00007 -0.00056 -0.00455 42 8D-1 0.00567 0.00078 0.00048 0.00002 0.00548 43 8D+2 -0.00386 0.00000 -0.00306 -0.00147 0.00017 44 8D-2 -0.00159 0.00049 -0.00533 0.00033 -0.00467 45 3 Cu 1S -0.00217 -0.00123 -0.00149 -0.00112 0.00014 46 2S -0.03667 -0.10973 -0.03734 -0.04724 -0.04155 47 3S -0.00925 -0.94058 -0.40787 -0.31485 -0.73598 48 4PX 0.01895 0.01312 0.00743 0.01271 0.01419 49 4PY 0.01387 0.00263 -0.00524 -0.00053 0.01590 50 4PZ 0.00147 0.00618 -0.01731 -0.00327 -0.03912 51 5PX -0.07097 0.00614 -0.03655 -0.05336 -0.03041 52 5PY -0.06733 0.00704 0.05317 -0.00121 -0.08206 53 5PZ -0.03469 -0.03636 0.08277 0.02137 0.16052 54 6PX 0.74120 0.86164 -0.29557 0.30349 -0.89414 55 6PY 1.11221 -0.03133 0.19665 -0.03735 0.53715 56 6PZ 0.08820 -0.42339 -0.14675 -0.16865 -1.12606 57 7D 0 0.00341 0.01538 -0.01611 -0.00621 -0.01366 58 7D+1 0.00688 0.01116 -0.01097 -0.00617 0.01756 59 7D-1 0.04386 -0.00929 0.01240 0.00074 0.01221 60 7D+2 -0.01214 -0.02796 0.01946 -0.01001 0.04087 61 7D-2 0.00016 0.00352 -0.00496 -0.03038 -0.00618 62 8D 0 -0.00082 0.00413 -0.00431 -0.00183 -0.00619 63 8D+1 0.00541 0.00621 -0.00018 -0.00001 0.00819 64 8D-1 0.00689 -0.00166 0.00296 0.00147 0.00190 65 8D+2 -0.00353 -0.00886 0.00352 -0.00399 0.00595 66 8D-2 -0.00139 0.00025 -0.00272 -0.00451 -0.00143 67 4 Cu 1S -0.00297 -0.00063 -0.00099 -0.00049 -0.00101 68 2S 0.00885 0.16308 -0.10203 0.03137 -0.02866 69 3S 0.60496 2.28676 -1.08730 0.79614 -0.47735 70 4PX -0.02258 -0.00027 -0.01068 -0.00489 -0.00890 71 4PY 0.00180 -0.00465 -0.00334 0.00866 0.00706 72 4PZ -0.00080 0.01177 0.00165 0.01811 -0.02404 73 5PX 0.11267 0.07908 0.07540 0.06772 0.06135 74 5PY 0.01000 0.02998 -0.02323 -0.06684 -0.04701 75 5PZ 0.04611 0.09574 -0.05888 -0.04750 0.04752 76 6PX 1.31072 1.26762 -0.14299 0.61332 -0.57526 77 6PY 0.53261 0.14508 0.11448 0.50618 -0.55234 78 6PZ -0.78007 0.52016 -0.22716 -0.29603 1.12503 79 7D 0 -0.00134 0.02245 0.01575 0.00206 0.02549 80 7D+1 -0.00382 0.00342 0.00801 -0.00431 0.00922 81 7D-1 0.04176 -0.00502 0.00335 -0.00110 -0.00616 82 7D+2 0.00193 0.02593 0.02837 -0.00269 -0.02554 83 7D-2 0.02202 0.00083 0.01389 0.04333 0.01676 84 8D 0 0.00274 0.01345 0.00218 0.00385 0.00255 85 8D+1 -0.00275 0.00159 0.00139 0.00016 -0.00011 86 8D-1 0.00723 -0.00033 -0.00184 0.00049 -0.00096 87 8D+2 -0.00038 0.00930 0.00348 0.00095 -0.00548 88 8D-2 0.00474 -0.00061 0.00634 0.00845 0.00445 89 5 Cu 1S 0.00012 -0.00014 -0.00187 -0.00034 -0.00121 90 2S -0.13001 0.10988 -0.01275 -0.06917 0.02657 91 3S -1.58140 1.43349 0.15843 -1.04608 1.07427 92 4PX -0.00938 -0.01968 -0.01650 0.02351 -0.01644 93 4PY -0.01818 -0.00453 -0.00488 0.00653 0.01623 94 4PZ 0.01077 -0.00268 0.00694 0.01979 -0.02624 95 5PX 0.08742 -0.01050 0.06878 -0.10453 0.06924 96 5PY 0.04526 0.06090 0.04917 -0.03926 -0.06879 97 5PZ -0.01313 -0.06679 -0.07516 -0.08821 0.03084 98 6PX 0.64493 -0.28574 0.45892 -0.61874 -1.28293 99 6PY -0.42089 0.26374 0.66148 -0.83188 -1.17571 100 6PZ 0.06990 -0.83574 -0.58017 0.04709 -0.09425 101 7D 0 0.01464 0.00212 -0.00938 -0.00262 -0.02202 102 7D+1 -0.00757 0.02707 0.01159 0.01067 0.03150 103 7D-1 -0.02096 -0.00241 -0.04776 0.00645 -0.01072 104 7D+2 0.00982 0.01337 -0.02390 0.03184 0.01407 105 7D-2 0.01459 -0.01111 -0.01759 -0.02480 0.02249 106 8D 0 0.00005 0.00203 -0.00272 -0.00234 -0.00057 107 8D+1 -0.00396 0.01337 0.00447 0.00078 0.00823 108 8D-1 -0.00374 -0.00250 -0.01173 -0.00136 -0.00682 109 8D+2 0.00332 0.00651 -0.00370 0.00466 0.00023 110 8D-2 0.00513 -0.00541 -0.00476 -0.00365 0.00250 111 6 Cu 1S 0.00095 0.00036 -0.00008 0.00081 0.00009 112 2S -0.05803 -0.00028 0.16688 0.08803 -0.02122 113 3S -0.83067 0.02809 2.21876 1.35350 -0.38355 114 4PX -0.00421 -0.00472 0.01523 0.04397 0.01780 115 4PY -0.01084 -0.01220 -0.02536 -0.00499 0.02096 116 4PZ 0.00062 0.01814 0.00913 -0.00491 0.00160 117 5PX -0.01684 0.04019 0.02823 -0.16546 -0.07760 118 5PY 0.06143 0.03512 0.01795 -0.03788 -0.14674 119 5PZ -0.02944 0.00356 -0.04146 0.05113 -0.04365 120 6PX -0.49266 -0.04840 1.40255 -0.83457 0.77087 121 6PY -0.01369 -0.36453 0.03302 -1.01867 0.19956 122 6PZ -0.82524 0.01467 0.03942 0.44274 -0.66166 123 7D 0 -0.01998 -0.00876 -0.02646 -0.00893 0.00694 124 7D+1 -0.01775 0.02600 0.02153 -0.00866 0.00989 125 7D-1 0.00942 -0.03704 0.02616 -0.01283 0.01195 126 7D+2 -0.00354 -0.01000 0.01874 -0.03679 0.01599 127 7D-2 0.00446 -0.00246 -0.01189 0.00765 -0.03650 128 8D 0 -0.00554 -0.00307 -0.00633 -0.00398 -0.00148 129 8D+1 -0.00688 0.00876 0.00695 0.00007 0.00138 130 8D-1 -0.00042 -0.01385 0.00589 -0.00144 0.00233 131 8D+2 -0.00089 -0.00309 0.00258 -0.00528 0.00505 132 8D-2 0.00245 -0.00195 -0.01047 -0.00347 -0.00793 133 7 Cu 1S 0.00212 0.00102 0.00099 -0.00209 -0.00122 134 2S -0.00254 -0.14073 -0.00412 -0.07036 -0.02606 135 3S 0.15656 -2.21305 -0.02276 -0.87144 -0.11791 136 4PX 0.00432 0.00665 0.01165 -0.02370 0.03119 137 4PY 0.01385 0.01544 0.01861 0.00542 -0.01654 138 4PZ 0.00464 0.00381 -0.00631 -0.00868 0.01347 139 5PX -0.00814 -0.16112 -0.03204 0.14242 -0.14914 140 5PY -0.06725 -0.12783 -0.14718 -0.06733 0.07622 141 5PZ 0.02862 0.08112 -0.00552 0.08361 -0.14225 142 6PX -0.79063 -0.72153 -0.27005 0.73425 -0.80306 143 6PY -1.35799 -1.09121 -0.28052 0.47406 1.55628 144 6PZ -0.56064 0.10649 0.19894 0.30386 -0.18513 145 7D 0 0.00903 -0.02208 0.02027 0.00642 -0.02497 146 7D+1 0.04483 0.00199 0.01910 0.00285 0.00359 147 7D-1 -0.02106 0.01055 -0.01409 0.00672 -0.00003 148 7D+2 0.00572 -0.01401 0.01399 0.00745 -0.02974 149 7D-2 -0.02134 -0.00874 0.01603 0.04986 0.02786 150 8D 0 -0.00227 -0.01014 0.00838 -0.00046 -0.00372 151 8D+1 0.01382 -0.00146 0.00149 0.00193 -0.00150 152 8D-1 -0.00582 0.00680 -0.00069 0.00144 -0.00120 153 8D+2 0.00184 -0.00745 0.00337 0.00205 -0.00553 154 8D-2 -0.00463 -0.00090 0.00738 0.01219 0.00833 155 8 Cu 1S 0.00225 0.00018 -0.00079 0.00033 0.00077 156 2S 0.16106 -0.02748 -0.03729 0.01592 0.03531 157 3S 1.25967 -0.71881 -0.35058 0.12251 0.76701 158 4PX -0.00602 -0.01018 0.01797 -0.01262 0.00073 159 4PY -0.00251 -0.00284 0.00089 -0.00447 -0.01662 160 4PZ -0.01232 -0.00128 -0.02619 -0.00383 -0.02974 161 5PX 0.01445 0.03210 -0.04609 0.09904 0.01243 162 5PY -0.05469 0.03643 -0.02491 0.00070 0.04627 163 5PZ 0.01663 0.01904 0.13678 0.02371 0.05980 164 6PX -0.51672 -0.93151 0.04147 0.85069 0.48009 165 6PY -1.13321 -0.26988 -0.71927 -0.07092 -0.17952 166 6PZ -0.36734 0.16416 0.65849 -0.14056 -0.39977 167 7D 0 -0.00299 -0.00458 -0.01126 0.01621 0.01240 168 7D+1 -0.00012 0.02460 -0.03419 -0.00085 -0.00423 169 7D-1 0.00390 0.01724 0.02104 -0.00519 0.02569 170 7D+2 -0.01678 -0.00783 -0.02949 -0.02924 0.00253 171 7D-2 -0.00448 0.03632 0.01033 -0.02148 -0.02953 172 8D 0 0.00369 -0.00130 -0.00074 0.00353 0.00770 173 8D+1 0.00285 0.00309 -0.01172 -0.00222 -0.00437 174 8D-1 0.00539 0.00510 0.00731 0.00031 0.00994 175 8D+2 -0.00431 -0.00215 -0.00710 -0.00559 -0.00134 176 8D-2 -0.00388 0.01149 0.00252 -0.00366 -0.00733 177 9 C 1S 0.00887 -0.00126 0.01040 0.00532 0.01158 178 2S -0.01610 0.00458 -0.02878 -0.01908 -0.02662 179 3S -0.08906 0.01633 -0.07648 -0.01253 -0.12618 180 4PX -0.03813 -0.00270 0.07317 0.09052 -0.08604 181 4PY -0.01123 0.00533 -0.01421 0.01163 -0.06032 182 4PZ -0.05220 0.01600 0.02893 -0.05865 0.06828 183 5PX -0.03439 0.00572 0.01917 0.05267 -0.08990 184 5PY 0.00570 -0.01815 0.04607 0.04711 0.01950 185 5PZ -0.03603 0.00002 0.04053 -0.04299 0.08768 186 10 O 1S -0.00526 -0.00340 0.00083 0.00199 0.00451 187 2S 0.01408 0.01063 -0.00485 -0.00650 -0.01568 188 3S 0.03884 0.01195 0.01405 -0.00448 -0.00107 189 4PX -0.01024 -0.00688 -0.00152 -0.01840 0.01419 190 4PY 0.01342 -0.00807 0.01740 0.00607 0.03242 191 4PZ -0.00864 0.00980 0.01206 0.00725 -0.01418 192 5PX 0.00511 -0.00210 -0.01510 -0.02448 0.02580 193 5PY 0.01012 -0.00960 0.01536 -0.00386 0.04169 194 5PZ 0.01344 0.00131 -0.00604 0.01946 -0.02737 106 107 108 109 110 V V V V V EIGENVALUES -- 0.05578 0.05684 0.06340 0.07223 0.07683 1 1 Cu 1S 0.00284 0.00163 0.00030 -0.00006 0.00091 2 2S 0.06778 0.05814 -0.05384 0.04317 0.02741 3 3S 0.67503 0.63368 -0.83703 0.71095 0.38163 4 4PX -0.02398 -0.04601 0.01279 -0.03202 0.01284 5 4PY -0.03367 -0.00566 -0.02725 0.01191 -0.02699 6 4PZ 0.04250 -0.03094 -0.05220 -0.01582 0.01579 7 5PX 0.14724 0.21678 -0.06108 0.21488 -0.09766 8 5PY 0.08125 0.01098 0.20802 -0.12488 0.15647 9 5PZ -0.30341 0.17968 0.38708 0.13518 -0.10614 10 6PX -0.62682 2.94474 -1.62002 -1.65265 -1.82133 11 6PY 2.09048 -1.46107 3.97676 -1.31587 2.17741 12 6PZ -1.95853 1.91996 2.83990 -0.90801 2.75443 13 7D 0 0.00094 0.01095 0.01685 -0.02537 0.00118 14 7D+1 -0.00841 -0.00493 0.00687 0.01426 -0.01081 15 7D-1 0.00187 -0.00058 0.02994 0.00824 -0.02971 16 7D+2 0.01732 -0.02000 0.03006 0.02932 -0.02263 17 7D-2 -0.01604 0.00019 -0.00377 0.00844 0.00346 18 8D 0 -0.00009 0.00325 0.00338 -0.00095 -0.00088 19 8D+1 0.00269 -0.00164 -0.00112 -0.00129 -0.00244 20 8D-1 0.00280 -0.00151 -0.00074 0.00265 -0.00578 21 8D+2 0.00053 -0.00532 0.00795 0.00187 -0.00529 22 8D-2 -0.00512 -0.00275 -0.00037 -0.00126 0.00045 23 2 Cu 1S 0.00138 -0.00149 0.00252 0.00030 0.00006 24 2S -0.00539 -0.04728 0.06799 0.00645 -0.04438 25 3S -0.14332 -0.63808 0.53502 -0.14650 -0.45773 26 4PX 0.02372 -0.00621 0.01284 0.00154 -0.00022 27 4PY 0.01611 0.00522 0.01126 -0.00639 0.01166 28 4PZ -0.01317 -0.00037 -0.02247 -0.00622 0.03837 29 5PX -0.06146 0.07581 -0.12258 -0.01282 -0.00643 30 5PY -0.22614 -0.07303 0.00877 0.00331 -0.14756 31 5PZ -0.01927 0.02106 0.20065 0.02821 -0.29414 32 6PX 0.31210 0.09929 1.59298 3.73316 1.18206 33 6PY 0.88695 -0.14579 0.72769 -0.47850 0.80990 34 6PZ 0.37140 0.06674 -1.19708 1.63719 3.69735 35 7D 0 0.00373 0.02591 -0.04657 0.01389 -0.00344 36 7D+1 0.01391 -0.00136 -0.00674 -0.00045 -0.01077 37 7D-1 0.01084 -0.01395 -0.01773 -0.01803 0.03523 38 7D+2 -0.02245 -0.01253 -0.05111 0.01225 -0.01491 39 7D-2 0.00213 -0.01862 -0.00393 -0.00857 0.00036 40 8D 0 0.00137 0.00605 -0.01126 0.00182 -0.00141 41 8D+1 0.00251 0.00018 0.00126 0.00016 -0.00070 42 8D-1 0.00185 -0.00269 -0.00149 -0.00526 0.00901 43 8D+2 -0.00741 -0.00395 -0.01261 0.00506 -0.00468 44 8D-2 -0.00066 -0.00328 -0.00266 -0.00072 -0.00187 45 3 Cu 1S -0.00200 -0.00123 -0.00208 0.00120 -0.00130 46 2S -0.04031 -0.00939 0.02122 -0.02220 0.00530 47 3S -0.93242 -0.00437 1.52487 -0.62466 0.53368 48 4PX 0.01036 -0.03041 -0.01778 0.01220 0.01173 49 4PY -0.03281 0.00140 0.01720 -0.01819 0.01842 50 4PZ -0.01424 0.00151 0.05401 -0.00635 -0.01185 51 5PX -0.02717 0.18632 0.03250 -0.03999 -0.08088 52 5PY 0.19822 -0.01335 -0.07994 0.10174 -0.12903 53 5PZ 0.01012 0.01459 -0.17568 -0.00317 0.07938 54 6PX -0.11426 -1.33679 -0.46910 -0.05659 1.21092 55 6PY -1.84028 -0.15658 1.09650 0.97562 0.33964 56 6PZ -0.38044 -0.88071 0.94033 -0.19090 0.55523 57 7D 0 -0.00377 -0.03603 0.02092 -0.00935 0.00555 58 7D+1 0.00345 -0.02993 -0.01924 -0.01569 0.00070 59 7D-1 -0.05437 -0.01269 0.01448 0.01869 -0.00712 60 7D+2 0.01523 0.01391 0.02845 -0.01199 -0.00646 61 7D-2 0.02182 -0.00703 -0.01168 -0.00256 -0.00950 62 8D 0 -0.00302 -0.00540 0.00909 -0.00236 0.00176 63 8D+1 0.00325 -0.00677 -0.01041 -0.00090 0.00168 64 8D-1 -0.01313 -0.00223 0.00602 -0.00071 0.00036 65 8D+2 0.00273 0.00412 0.00262 -0.00468 0.00192 66 8D-2 0.00454 -0.00134 -0.00332 -0.00174 -0.00119 67 4 Cu 1S -0.00121 -0.00123 -0.00276 -0.00169 -0.00146 68 2S -0.03811 0.03271 -0.04780 0.01136 -0.03173 69 3S -0.88661 0.50144 -0.04106 0.63930 -0.26793 70 4PX -0.00797 0.04590 0.02229 -0.00129 -0.02269 71 4PY 0.00039 0.01905 0.01969 0.02288 0.01059 72 4PZ -0.00081 -0.00039 0.00642 0.04170 -0.01833 73 5PX 0.04382 -0.23353 -0.11922 0.04876 0.10081 74 5PY -0.00373 -0.11199 -0.09427 -0.16610 -0.07184 75 5PZ -0.07754 0.01063 0.05728 -0.22011 0.08549 76 6PX -0.39525 0.42470 1.36055 0.14026 3.35588 77 6PY 0.47375 0.95623 -1.28914 -1.00387 -3.00056 78 6PZ 0.02102 0.77576 0.25477 -0.40618 -2.90401 79 7D 0 0.01292 -0.01748 -0.00265 0.00015 -0.00297 80 7D+1 0.00052 0.02378 0.01945 -0.00855 0.02237 81 7D-1 0.02690 0.02020 -0.00122 0.01705 -0.03626 82 7D+2 0.00853 0.00485 0.02977 -0.01716 0.01243 83 7D-2 -0.02849 0.00731 0.01976 -0.01342 -0.00279 84 8D 0 -0.00048 -0.00317 -0.00004 0.00199 0.00079 85 8D+1 -0.00135 0.00443 0.00657 -0.00263 0.00459 86 8D-1 0.00658 0.00405 0.00289 0.00413 -0.00651 87 8D+2 0.00289 0.00136 0.00593 -0.00074 0.00035 88 8D-2 -0.00938 -0.00027 0.00658 -0.00148 0.00031 89 5 Cu 1S -0.00207 -0.00022 -0.00057 0.00182 -0.00126 90 2S -0.04307 -0.06630 -0.00756 0.00333 -0.00098 91 3S -0.37144 -1.32228 -0.04573 -0.54481 -0.25609 92 4PX -0.00030 -0.02316 0.00775 0.02147 -0.01185 93 4PY 0.02962 -0.02540 0.00219 -0.01990 -0.00467 94 4PZ -0.01811 0.01519 0.03396 0.01791 -0.04341 95 5PX 0.03445 0.19913 -0.03247 -0.07841 0.04021 96 5PY -0.19098 0.12743 -0.00364 0.07885 0.06223 97 5PZ 0.08911 -0.02617 -0.16669 -0.03633 0.22465 98 6PX 0.81585 -1.32996 0.26006 -1.76927 -1.62968 99 6PY 0.47379 -0.90630 -1.42776 2.08564 -0.27342 100 6PZ -0.21427 0.89690 -0.89730 1.95818 -1.53900 101 7D 0 0.01129 -0.00352 0.01148 -0.02509 0.03075 102 7D+1 -0.00555 0.02794 -0.00895 0.00860 0.01480 103 7D-1 -0.02481 0.03179 -0.00954 -0.00166 0.00778 104 7D+2 -0.00361 0.01641 0.02032 -0.00115 0.01606 105 7D-2 -0.02684 -0.01416 0.01499 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0.02594 -0.08954 8 5PY 0.12224 0.01637 0.08914 0.05560 0.02633 9 5PZ -0.01183 -0.00979 0.12502 0.06497 0.10293 10 6PX -1.00340 -3.31300 1.56537 0.27725 -3.12370 11 6PY 1.69549 0.60242 1.01290 2.11201 -1.41707 12 6PZ 5.88896 6.52457 -1.70281 1.46547 1.94047 13 7D 0 0.02322 -0.02990 -0.00300 -0.00839 0.00854 14 7D+1 -0.00873 0.00231 0.00726 -0.00712 -0.01358 15 7D-1 -0.02786 -0.01756 0.00033 -0.01682 -0.02089 16 7D+2 -0.00017 0.01536 0.02722 0.00271 0.01743 17 7D-2 -0.00863 0.02271 0.00889 -0.00831 0.00387 18 8D 0 0.00563 -0.00446 -0.00307 -0.00397 0.00657 19 8D+1 -0.00067 -0.00075 0.00261 -0.00059 -0.00640 20 8D-1 -0.00465 0.00023 -0.00430 -0.00844 -0.00369 21 8D+2 0.00403 0.00127 0.00694 0.00071 0.00477 22 8D-2 0.00030 0.00335 0.00233 -0.00220 -0.00075 23 2 Cu 1S -0.00081 -0.00080 0.00148 -0.00056 0.00052 24 2S 0.02454 -0.03921 0.04087 -0.01152 0.02350 25 3S 0.46083 -0.44118 1.10861 0.04511 0.63951 26 4PX 0.01864 -0.01185 -0.00958 0.01138 0.02001 27 4PY -0.00031 0.00390 -0.00416 -0.00279 -0.00031 28 4PZ 0.02366 0.02607 0.01375 0.03510 0.00044 29 5PX -0.17605 0.14386 0.08414 -0.10424 -0.12884 30 5PY 0.06692 -0.15945 0.05500 0.05039 -0.02466 31 5PZ -0.11582 -0.18047 -0.08031 -0.19298 -0.00454 32 6PX 2.07932 -0.40393 -3.48556 2.66396 -1.44787 33 6PY -0.14048 0.79157 -1.76350 0.31227 -2.23262 34 6PZ -3.11796 -4.66487 4.26091 -0.46901 0.10636 35 7D 0 -0.00068 -0.01381 -0.02448 0.00403 0.00130 36 7D+1 0.01198 -0.01219 0.00735 0.01312 -0.00477 37 7D-1 0.02283 0.00854 0.01730 0.02086 0.00294 38 7D+2 -0.02681 0.01134 0.00448 0.00640 -0.00814 39 7D-2 0.00582 -0.01683 -0.01782 0.00464 0.01200 40 8D 0 -0.00111 -0.00261 -0.00708 0.00179 0.00183 41 8D+1 -0.00003 -0.00116 -0.00009 0.00264 0.00173 42 8D-1 0.00567 0.00555 0.00397 0.00641 0.00039 43 8D+2 -0.00558 0.00005 -0.00481 0.00267 -0.00532 44 8D-2 0.00205 -0.00548 -0.00405 0.00197 0.00300 45 3 Cu 1S 0.00027 -0.00007 -0.00127 0.00072 -0.00011 46 2S 0.01196 -0.00978 0.00480 0.04727 0.06142 47 3S 0.93951 -0.27786 0.97452 1.82339 2.29816 48 4PX -0.00304 0.02736 0.01466 0.02083 -0.02273 49 4PY 0.02635 0.00986 0.02853 0.02110 -0.00529 50 4PZ 0.00414 -0.01695 -0.00846 -0.00302 0.01098 51 5PX -0.02013 -0.15360 -0.11666 -0.15615 0.12450 52 5PY -0.16240 -0.06926 -0.19960 -0.13766 0.01214 53 5PZ 0.02065 0.04191 0.10463 0.06965 -0.03891 54 6PX 0.41065 2.09547 1.46418 -1.73566 1.60749 55 6PY 1.85819 2.96373 -3.30931 0.88463 1.31867 56 6PZ 1.55920 0.95207 -0.18783 -2.38754 0.40702 57 7D 0 0.02152 0.00963 0.00455 -0.01232 -0.00376 58 7D+1 -0.00167 -0.00327 0.00547 0.02035 0.03358 59 7D-1 0.01771 -0.00419 -0.00355 0.00453 0.00848 60 7D+2 0.01096 0.00370 -0.00223 0.01364 -0.01028 61 7D-2 0.00154 -0.01340 0.00205 -0.01188 -0.01383 62 8D 0 0.00353 -0.00095 0.00329 0.00251 -0.00034 63 8D+1 0.00046 0.00080 -0.00225 0.00076 0.00144 64 8D-1 0.00334 -0.00322 0.00448 0.00368 0.00001 65 8D+2 0.00330 0.00104 -0.00124 -0.00163 0.00007 66 8D-2 -0.00172 -0.00002 -0.00211 -0.00313 -0.00177 67 4 Cu 1S 0.00100 -0.00201 -0.00069 -0.00161 0.00090 68 2S -0.04592 -0.05287 -0.01434 -0.01535 0.01712 69 3S -0.66616 -1.01468 0.06818 0.52259 0.68367 70 4PX -0.01097 -0.01878 -0.00611 -0.01677 0.00805 71 4PY 0.01297 0.01385 0.01109 0.01251 0.02075 72 4PZ -0.02827 0.03834 0.03072 -0.00183 -0.01663 73 5PX 0.02382 0.10531 0.05331 0.12941 -0.08181 74 5PY -0.11052 -0.11131 -0.07713 -0.07985 -0.17359 75 5PZ 0.11953 -0.27914 -0.14077 0.01151 0.08126 76 6PX 1.23113 2.55687 0.18106 -3.55328 -1.06613 77 6PY 3.37095 0.10253 2.40937 -1.31767 -0.94627 78 6PZ -2.67301 -0.74681 -0.67219 3.08050 -1.14898 79 7D 0 -0.02633 0.02640 0.01321 0.04235 -0.00088 80 7D+1 0.00916 0.01653 -0.00402 -0.00476 -0.01792 81 7D-1 0.02514 -0.00575 0.02237 -0.00230 0.00844 82 7D+2 0.00478 -0.00016 -0.02076 -0.02559 0.00329 83 7D-2 0.02254 0.00806 0.00750 0.01936 0.00441 84 8D 0 -0.00676 0.00326 0.00562 0.00562 -0.00302 85 8D+1 0.00201 0.00265 0.00163 0.00098 -0.00300 86 8D-1 0.00217 -0.00191 0.00336 0.00160 0.00330 87 8D+2 -0.00061 -0.00339 -0.00538 -0.00305 0.00051 88 8D-2 0.00387 -0.00211 0.00248 0.00546 -0.00212 89 5 Cu 1S -0.00012 -0.00045 0.00000 0.00168 0.00075 90 2S 0.05994 0.03246 0.02206 -0.01075 0.00231 91 3S 1.36044 0.37444 0.60510 -0.89082 -0.76424 92 4PX -0.02381 -0.00389 -0.00144 0.01598 -0.02345 93 4PY 0.00172 -0.00680 -0.00718 -0.02367 0.00739 94 4PZ -0.03803 -0.00672 0.00103 -0.01968 -0.00651 95 5PX 0.11564 0.03492 0.02586 -0.10918 0.14133 96 5PY 0.02087 0.02498 0.06432 0.15051 -0.07195 97 5PZ 0.16155 0.05626 -0.00847 0.13886 0.07856 98 6PX -1.58919 1.04640 -0.14179 1.31761 1.11661 99 6PY 0.12440 -3.25333 0.50041 2.28249 0.55605 100 6PZ 0.76292 -0.64825 0.45181 -0.54413 -1.25065 101 7D 0 -0.02226 0.01529 -0.00101 0.02073 -0.00550 102 7D+1 -0.02042 0.00321 -0.00694 0.00501 -0.01262 103 7D-1 0.01094 0.04367 0.00277 0.01447 -0.00009 104 7D+2 -0.00043 -0.00711 0.00771 -0.02724 0.00132 105 7D-2 -0.02391 -0.00431 0.00785 -0.01482 -0.02639 106 8D 0 -0.00174 0.00492 0.00206 0.00403 -0.00530 107 8D+1 -0.00194 0.00181 -0.00079 -0.00103 -0.00113 108 8D-1 0.00133 0.00973 0.00236 0.00454 0.00495 109 8D+2 -0.00106 -0.00348 -0.00169 -0.00238 0.00166 110 8D-2 -0.00538 -0.00266 0.00107 -0.00149 -0.00658 111 6 Cu 1S 0.00192 -0.00102 -0.00013 0.00074 0.00086 112 2S 0.03428 0.00931 -0.05178 0.03575 -0.00621 113 3S 0.08095 -0.11762 -1.48488 0.47920 -0.92581 114 4PX -0.01437 0.01545 -0.00260 0.00549 -0.00673 115 4PY 0.00989 -0.01898 -0.01095 -0.01998 -0.01515 116 4PZ -0.02030 -0.00895 -0.02221 0.00833 0.00718 117 5PX 0.09960 -0.09344 0.01311 0.01256 0.00662 118 5PY -0.06465 0.11766 0.07281 0.12066 0.10923 119 5PZ 0.11576 0.07185 0.13690 -0.03500 -0.03123 120 6PX -0.64207 -0.67804 1.86461 -0.30476 1.04131 121 6PY -1.64265 -1.84678 0.41758 -2.33647 0.31692 122 6PZ 1.40773 -2.64093 0.75167 -1.41274 -0.57080 123 7D 0 0.02137 0.00147 -0.01718 0.00257 0.02258 124 7D+1 0.00824 -0.01471 0.00543 -0.01608 0.00752 125 7D-1 -0.01305 0.03394 0.02507 0.00121 -0.00662 126 7D+2 -0.00380 -0.02949 -0.00619 -0.01208 0.00549 127 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6PZ 15.97889 4.83822 9.75678 -1.50014 1.02996 13 7D 0 0.02511 0.00823 -0.01249 0.07399 0.00240 14 7D+1 0.05307 -0.01738 -0.01265 -0.04939 0.02447 15 7D-1 -0.00896 0.03158 0.03464 0.06491 0.01843 16 7D+2 -0.00072 -0.01472 -0.01889 -0.00860 0.04422 17 7D-2 -0.03016 0.05933 0.01258 -0.03574 0.01771 18 8D 0 0.00772 0.00244 -0.00469 0.02224 0.00010 19 8D+1 0.01576 -0.00447 -0.00280 -0.01226 0.00458 20 8D-1 -0.00155 0.00687 0.01016 0.01621 0.00356 21 8D+2 -0.00219 -0.00489 -0.00570 -0.00230 0.01045 22 8D-2 -0.00674 0.01591 -0.00340 -0.00985 0.00408 23 2 Cu 1S -0.00290 -0.00744 0.00714 0.00161 0.01057 24 2S -0.05595 -0.12690 0.18108 -0.06294 0.07684 25 3S 0.51398 -1.10668 4.05274 -3.20635 0.05427 26 4PX -0.00492 -0.01544 0.01452 0.01715 -0.07683 27 4PY -0.00768 -0.03015 0.04086 0.01312 -0.01685 28 4PZ -0.01017 -0.00113 -0.02390 0.00453 -0.00495 29 5PX 0.02004 0.22132 -0.08716 -0.32841 0.83237 30 5PY 0.06026 0.20955 -0.42092 0.03202 0.51244 31 5PZ 0.13177 0.01072 0.18214 0.02060 0.06750 32 6PX 3.34546 1.26542 1.51487 0.53101 -0.76627 33 6PY 1.18293 0.54212 1.07496 -1.26346 -0.38591 34 6PZ -2.08604 -0.71264 -2.74611 -0.10629 -0.60634 35 7D 0 0.00896 0.06267 -0.02880 -0.02956 -0.00797 36 7D+1 0.01753 0.01013 -0.02705 -0.00077 -0.07716 37 7D-1 -0.01106 -0.03375 0.03033 -0.02737 -0.01177 38 7D+2 0.03380 0.04300 -0.08809 0.02768 -0.00789 39 7D-2 0.01249 0.01013 -0.05590 0.02781 0.03042 40 8D 0 0.00398 0.01531 -0.01955 0.00200 0.00124 41 8D+1 0.00489 0.00367 -0.00602 0.00387 -0.01742 42 8D-1 -0.00275 -0.00842 0.01545 -0.00893 -0.00344 43 8D+2 0.00995 0.01550 -0.03528 0.01687 0.00761 44 8D-2 0.00142 0.00692 -0.01834 0.01187 0.01249 45 3 Cu 1S 0.00324 -0.00007 -0.00512 -0.00875 -0.00136 46 2S 0.08007 0.03073 -0.02698 -0.05695 -0.01117 47 3S 3.70204 1.24522 1.49074 -0.24137 -0.05128 48 4PX -0.04317 -0.03217 -0.00799 0.02269 0.02091 49 4PY -0.01881 -0.00375 -0.03157 0.06985 -0.04756 50 4PZ -0.03428 -0.01343 0.01679 0.04958 0.02218 51 5PX 0.34342 0.33121 0.06232 -0.37706 -0.25703 52 5PY 0.18569 0.07386 0.38738 -0.96276 0.64239 53 5PZ 0.39605 0.13957 -0.06901 -0.51979 -0.34159 54 6PX 2.42687 0.62622 1.29130 0.70865 0.33519 55 6PY 3.20259 0.82431 2.66521 1.06776 -0.65537 56 6PZ 1.05885 0.66384 0.32806 0.96133 0.36984 57 7D 0 -0.02440 -0.02374 0.01525 -0.03664 -0.02230 58 7D+1 0.01067 0.01754 0.00243 0.00207 0.00833 59 7D-1 -0.01599 0.00858 -0.00376 -0.06878 0.04692 60 7D+2 -0.00589 -0.02882 0.01898 0.03080 0.03676 61 7D-2 0.00043 0.00568 0.01474 -0.01071 -0.02480 62 8D 0 -0.00344 -0.00239 0.00953 -0.00984 -0.00558 63 8D+1 -0.00413 0.00180 -0.00439 -0.00158 0.00525 64 8D-1 -0.00160 0.00428 -0.00039 -0.01215 0.00738 65 8D+2 0.00311 -0.00167 0.00221 0.00057 0.00694 66 8D-2 0.00083 -0.00108 -0.00077 0.00545 -0.00524 67 4 Cu 1S 0.00323 0.00263 -0.00600 -0.00038 -0.00747 68 2S 0.05683 0.04906 -0.05183 -0.01716 -0.02825 69 3S 1.87350 0.77740 0.33996 -0.50543 0.18391 70 4PX 0.03793 0.00829 0.00534 0.02037 0.01193 71 4PY 0.01579 -0.00424 -0.02210 0.02818 0.08843 72 4PZ 0.00080 -0.00358 0.01127 -0.02749 -0.02762 73 5PX -0.33728 -0.05705 0.01694 -0.22541 -0.13136 74 5PY -0.12643 0.11042 0.24172 -0.44921 -1.15889 75 5PZ 0.05847 0.01888 -0.06650 0.29992 0.36874 76 6PX 6.61914 2.84536 1.85496 0.09615 0.25891 77 6PY -1.34813 -0.92019 0.36748 0.00547 2.32754 78 6PZ -3.33257 -1.25842 -1.69381 -1.16498 -0.64088 79 7D 0 -0.01380 -0.01394 0.02678 0.01106 0.01577 80 7D+1 -0.02835 -0.03719 0.00639 0.03120 0.01789 81 7D-1 -0.01727 0.01718 0.00218 -0.02200 -0.04605 82 7D+2 -0.01634 0.00736 0.04804 0.00470 -0.01407 83 7D-2 -0.00658 -0.04057 0.00070 0.02693 -0.04981 84 8D 0 0.00129 -0.00264 0.00211 0.00551 0.00414 85 8D+1 -0.00807 -0.01141 0.00523 0.00909 0.00287 86 8D-1 -0.00135 0.00647 -0.00067 -0.00576 -0.01482 87 8D+2 -0.00398 0.00153 0.00597 -0.00188 -0.00422 88 8D-2 -0.00314 -0.00637 0.00119 0.00367 -0.01489 89 5 Cu 1S 0.00326 0.00435 -0.00761 0.00389 0.00251 90 2S 0.03522 0.05219 -0.10095 0.03628 -0.00609 91 3S -0.86492 -0.00525 -1.86304 0.38786 0.32739 92 4PX 0.04765 -0.05070 -0.03063 -0.01076 0.02221 93 4PY 0.04147 -0.04866 -0.02200 0.04051 0.02456 94 4PZ -0.01307 0.01885 0.00052 0.02676 0.01914 95 5PX -0.42149 0.50703 0.35654 0.10230 -0.32062 96 5PY -0.38867 0.52853 0.17740 -0.51302 -0.34799 97 5PZ 0.20211 -0.10162 -0.03983 -0.31623 -0.33710 98 6PX 0.38941 -0.64717 -1.15472 -0.14003 0.14076 99 6PY -0.71539 -1.50200 -1.60463 0.69619 0.63311 100 6PZ -0.67874 -0.39236 0.91991 0.40028 0.66396 101 7D 0 -0.01842 -0.02371 0.03243 0.00616 0.00171 102 7D+1 -0.01411 -0.00956 0.01636 0.01714 0.04582 103 7D-1 0.01727 0.00819 -0.07141 0.03179 -0.03159 104 7D+2 -0.01682 -0.04678 0.02522 -0.02766 0.02223 105 7D-2 -0.00600 -0.00577 0.03436 -0.00812 0.05963 106 8D 0 -0.00592 -0.00863 0.01237 0.00192 0.00475 107 8D+1 -0.00325 -0.00277 0.00056 0.00091 0.00889 108 8D-1 0.00474 -0.00031 -0.01438 0.00708 -0.00448 109 8D+2 -0.00388 -0.00903 0.00627 -0.00404 0.01104 110 8D-2 -0.00286 -0.00460 0.00900 -0.00075 0.00889 111 6 Cu 1S 0.00023 -0.00144 0.00363 0.00007 -0.00449 112 2S -0.00980 -0.01887 0.02859 -0.01082 -0.01172 113 3S -1.22395 -0.57709 -0.70369 -0.29155 0.30228 114 4PX 0.02396 -0.06749 -0.01690 0.00378 -0.02535 115 4PY 0.01722 -0.07278 0.01046 0.00423 -0.03851 116 4PZ -0.02263 0.01275 0.01354 0.04748 0.02873 117 5PX -0.26678 0.66404 0.11068 -0.05221 0.35182 118 5PY -0.12940 0.73727 -0.04928 -0.07727 0.51623 119 5PZ 0.20253 -0.13702 -0.12087 -0.59610 -0.36352 120 6PX -1.84574 -2.30671 -0.21148 -0.49357 -0.28728 121 6PY -2.40537 -1.88003 -0.82050 0.43650 -1.17532 122 6PZ -3.94995 -1.05863 -1.04157 1.25017 0.67445 123 7D 0 -0.00403 -0.02706 -0.03263 -0.01805 0.06752 124 7D+1 -0.01542 -0.00117 0.01953 0.00013 0.00135 125 7D-1 -0.00947 -0.01179 0.02372 0.01430 0.06741 126 7D+2 0.01487 0.04516 -0.02089 0.00881 0.03158 127 7D-2 0.00192 0.01068 0.00521 -0.00988 -0.00575 128 8D 0 -0.00218 -0.00737 -0.00121 -0.00741 0.01471 129 8D+1 -0.00234 0.00012 0.00264 -0.00632 0.00432 130 8D-1 -0.00288 -0.00487 0.00229 0.00401 0.01971 131 8D+2 0.00365 0.01132 -0.00197 0.00174 0.00730 132 8D-2 0.00048 0.00057 0.00386 -0.00372 0.00242 133 7 Cu 1S 0.00073 0.00385 -0.00902 0.00349 0.00114 134 2S -0.00760 0.07293 -0.09779 0.02385 0.01270 135 3S -1.06205 1.38421 -0.81125 0.27572 -0.13167 136 4PX -0.03452 0.01148 0.01756 -0.00651 0.03638 137 4PY -0.02917 0.03654 0.00399 0.00369 -0.04855 138 4PZ -0.00741 0.00824 -0.00325 0.00743 -0.00486 139 5PX 0.22265 -0.05543 -0.11230 0.05271 -0.50191 140 5PY 0.23179 -0.25463 -0.02737 -0.00694 0.58153 141 5PZ 0.11787 -0.06677 0.06175 0.00537 0.08957 142 6PX -1.19263 0.82804 -0.79726 -0.31502 0.81469 143 6PY -4.63818 -0.80235 -1.15139 -0.31332 -1.57888 144 6PZ -3.68947 -1.56306 -1.91556 0.26327 -0.65138 145 7D 0 -0.02180 -0.01316 0.02429 -0.03565 -0.05205 146 7D+1 -0.03987 0.02987 0.01751 -0.01476 -0.02071 147 7D-1 0.00850 -0.01278 -0.06095 -0.00221 -0.01129 148 7D+2 -0.00436 -0.01235 0.05590 -0.01049 -0.06354 149 7D-2 0.02294 -0.08868 0.02406 0.01293 -0.03020 150 8D 0 -0.00685 -0.00164 0.00506 -0.00956 -0.01746 151 8D+1 -0.00813 0.01111 0.00284 -0.00409 -0.00579 152 8D-1 0.00355 -0.00448 -0.00849 -0.00108 0.00058 153 8D+2 -0.00264 -0.00343 0.01255 -0.00289 -0.01899 154 8D-2 0.00865 -0.02217 0.00241 0.00407 -0.00946 155 8 Cu 1S -0.00200 -0.00120 0.00202 -0.00966 -0.00142 156 2S -0.07315 -0.02960 -0.00059 -0.05976 -0.01228 157 3S -3.82080 -1.27579 -2.18021 0.16091 -0.00056 158 4PX 0.02727 0.05916 0.03818 0.06838 -0.04296 159 4PY -0.01195 0.00198 0.08489 0.00216 0.02720 160 4PZ 0.00350 -0.00821 -0.03316 -0.05588 -0.02349 161 5PX -0.29716 -0.56447 -0.44848 -0.85702 0.52698 162 5PY 0.12260 0.01941 -0.87017 -0.11731 -0.35234 163 5PZ 0.04422 0.11145 0.44047 0.53001 0.27618 164 6PX -4.10067 -0.48370 -1.05305 1.73161 -1.16936 165 6PY -1.38512 -0.27732 0.41243 0.50461 0.48926 166 6PZ 0.66252 0.50804 -0.96123 -0.69932 -0.74086 167 7D 0 0.02534 -0.00251 -0.02591 -0.03316 -0.03215 168 7D+1 0.00694 -0.01752 0.02180 0.07697 -0.01662 169 7D-1 0.00649 0.01792 0.02532 -0.02044 0.01470 170 7D+2 0.00632 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-0.01719 -0.00422 -0.00996 0.00954 -0.02537 15 7D-1 0.02565 -0.00044 0.02662 -0.07181 0.03114 16 7D+2 -0.02820 -0.00176 -0.00677 -0.04497 -0.03501 17 7D-2 -0.00946 -0.00086 -0.01527 0.00458 0.01562 18 8D 0 0.00052 -0.00299 0.00151 0.00332 0.01607 19 8D+1 -0.00500 -0.00108 -0.00010 -0.00100 -0.00880 20 8D-1 0.00758 0.00060 0.01373 -0.02845 0.01407 21 8D+2 -0.01085 -0.00896 -0.00140 -0.01590 -0.01560 22 8D-2 0.00201 -0.00141 0.00306 -0.00394 0.00794 23 2 Cu 1S -0.02196 -0.03232 -0.04315 -0.00002 0.02620 24 2S -0.13720 -0.18050 -0.34092 -0.01605 0.21431 25 3S 2.44125 4.23088 -0.14191 -0.32101 0.74122 26 4PX 0.05571 -0.02333 0.01594 0.01334 0.03813 27 4PY -0.01546 -0.04535 -0.01945 0.00530 0.03138 28 4PZ 0.04076 -0.00497 -0.07181 0.00857 -0.04465 29 5PX -0.52117 0.57365 0.01947 -0.19122 -1.09276 30 5PY -0.62620 -0.61935 -0.93099 -0.19368 0.32241 31 5PZ -0.75342 -0.22558 0.80684 -0.07902 0.95645 32 6PX 0.38326 -1.76893 0.50012 0.76546 1.12096 33 6PY 1.36994 1.75263 0.58274 0.11337 0.39212 34 6PZ 0.84832 0.31451 -0.35628 -0.24379 -1.20236 35 7D 0 -0.02333 0.01627 -0.00859 -0.00180 0.00823 36 7D+1 -0.06327 0.00675 0.01404 -0.02777 -0.00721 37 7D-1 -0.02014 0.00908 0.02597 0.01301 0.00387 38 7D+2 0.01448 -0.00974 0.02597 0.01183 0.02196 39 7D-2 -0.01038 -0.02619 0.01843 -0.00961 -0.03199 40 8D 0 -0.01617 -0.01723 -0.01476 -0.00036 0.01497 41 8D+1 -0.01966 -0.00626 -0.00376 -0.00144 -0.01052 42 8D-1 0.00605 0.01665 0.01673 0.00124 -0.00144 43 8D+2 -0.01440 -0.03873 -0.02019 0.00210 0.03646 44 8D-2 -0.02203 -0.02821 -0.01663 -0.00002 -0.00370 45 3 Cu 1S -0.00941 0.00619 -0.00020 -0.00199 -0.00838 46 2S -0.04298 0.05532 0.02550 -0.01253 -0.04403 47 3S -1.87522 -0.90983 -0.21572 1.07677 -0.95043 48 4PX -0.03068 0.05601 -0.02452 -0.00772 -0.00713 49 4PY -0.01999 0.00542 0.05976 -0.01177 0.00380 50 4PZ 0.00551 0.02693 -0.01712 -0.01533 0.01974 51 5PX 0.54512 -0.84637 0.43466 0.20267 0.15159 52 5PY 0.37075 0.07435 -0.98902 0.40250 -0.48668 53 5PZ -0.26580 -0.58455 0.24568 0.57088 -0.59543 54 6PX -0.34545 1.59914 -0.31073 -0.54785 -0.11582 55 6PY -1.02272 -0.25148 0.90667 -0.17741 0.90877 56 6PZ -0.45250 0.71952 -0.56667 -0.42335 -0.09690 57 7D 0 0.01833 -0.06680 0.01963 0.01582 -0.05656 58 7D+1 0.02368 -0.02733 -0.00027 -0.04386 -0.00336 59 7D-1 -0.00126 -0.00491 -0.08944 0.03840 -0.04953 60 7D+2 -0.02325 0.04602 -0.07347 -0.06471 -0.00553 61 7D-2 -0.04580 0.01717 0.03453 -0.04252 0.00233 62 8D 0 0.00240 -0.00876 0.00839 0.02259 -0.01770 63 8D+1 0.00749 -0.00176 -0.00188 -0.00742 0.01199 64 8D-1 0.00813 0.00867 -0.00920 0.01347 -0.02848 65 8D+2 0.00189 0.02848 -0.00456 -0.01045 -0.01032 66 8D-2 -0.00450 -0.00005 0.00779 -0.00513 0.00780 67 4 Cu 1S 0.00517 -0.00094 0.01393 0.00636 -0.00922 68 2S 0.01267 -0.01534 0.07942 0.01786 -0.03426 69 3S -0.16982 -0.98776 -0.66030 -0.40526 0.53570 70 4PX -0.02824 0.04511 -0.03706 -0.05264 0.01188 71 4PY 0.02498 -0.01217 0.02830 -0.00661 -0.02190 72 4PZ -0.00151 -0.04166 0.03019 0.02732 0.00766 73 5PX 0.38125 -0.71996 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-0.02286 0.02817 0.05325 -0.03635 94 4PZ 0.03207 -0.02112 0.01990 -0.01207 -0.01608 95 5PX 0.41888 -0.89292 -0.01451 -0.47820 -0.80771 96 5PY -0.08262 0.43045 -0.23337 -1.28459 0.81913 97 5PZ -0.36277 0.36501 -0.16504 0.39884 0.17446 98 6PX -0.76753 1.18584 0.49089 1.45199 0.24502 99 6PY 0.24603 -0.76418 0.99928 1.52376 -0.04762 100 6PZ 0.63008 -0.83836 0.78347 -0.28426 -0.61697 101 7D 0 0.03639 -0.04176 0.01910 -0.02502 -0.05400 102 7D+1 -0.01591 0.05189 -0.01619 0.03510 0.03054 103 7D-1 0.05169 0.02326 -0.02924 0.08193 -0.05284 104 7D+2 -0.06932 0.00040 0.03258 0.09475 0.00876 105 7D-2 -0.00698 -0.01299 0.00961 0.04268 -0.04868 106 8D 0 0.00867 -0.00871 -0.00052 -0.01294 -0.01406 107 8D+1 -0.00060 0.01167 0.00705 0.00856 0.01597 108 8D-1 0.00815 -0.00749 -0.02045 0.03108 -0.00886 109 8D+2 -0.01175 0.01033 0.01194 0.02603 0.00326 110 8D-2 -0.00060 -0.00488 0.00775 0.00742 -0.00387 111 6 Cu 1S -0.00104 -0.00687 -0.00194 0.00404 0.00494 112 2S 0.00623 -0.04763 0.01404 0.01909 0.07178 113 3S -0.19732 -0.97202 0.92347 -0.34775 2.98205 114 4PX -0.00537 0.00503 0.00056 -0.01581 -0.06138 115 4PY 0.01726 -0.01791 -0.01725 -0.00815 0.00348 116 4PZ 0.05823 0.00270 -0.03797 0.03597 -0.03467 117 5PX 0.08273 -0.01061 0.10273 0.35253 1.53123 118 5PY -0.15875 0.38015 0.25287 0.25348 0.00042 119 5PZ -0.85212 -0.03276 0.68320 -0.82449 0.72389 120 6PX 0.03076 -0.39855 -0.14019 -0.71730 -0.74019 121 6PY 0.55630 0.03534 -1.44897 -0.58061 -1.17519 122 6PZ 2.19429 0.34647 -1.39978 0.83142 -0.40793 123 7D 0 -0.01165 -0.00610 0.05847 -0.01776 -0.00466 124 7D+1 -0.01320 -0.02298 0.07444 -0.04394 0.06514 125 7D-1 0.05492 -0.04713 0.03873 0.05166 0.02066 126 7D+2 0.01978 0.05286 -0.00459 0.04397 0.10138 127 7D-2 -0.00250 -0.01617 0.03024 -0.00409 -0.05868 128 8D 0 -0.00172 -0.01109 0.01755 0.00254 -0.00557 129 8D+1 -0.00766 -0.00422 0.01797 -0.01138 0.01331 130 8D-1 0.01362 -0.01220 0.01339 0.01883 -0.00115 131 8D+2 0.00337 0.01959 0.00243 0.01528 0.02740 132 8D-2 -0.00248 -0.00115 0.00541 -0.00479 -0.01309 133 7 Cu 1S 0.01258 0.00057 0.01033 -0.01123 0.01782 134 2S 0.05995 -0.00543 0.06728 -0.04676 0.05263 135 3S -0.47690 -1.22762 -0.08114 1.10358 -2.26940 136 4PX -0.00986 0.01004 -0.00228 0.05602 0.03919 137 4PY -0.06872 0.00378 -0.00776 -0.02269 -0.06516 138 4PZ -0.07660 0.03291 0.02626 0.06853 -0.00680 139 5PX 0.03434 -0.26394 -0.10309 -0.86220 -0.84054 140 5PY 0.93827 0.10522 0.21092 0.42390 1.03494 141 5PZ 1.09132 -0.42823 -0.43878 -1.32350 0.18406 142 6PX 0.02278 -0.56052 1.13829 2.38997 0.98402 143 6PY -1.30951 0.54964 -0.87233 -1.32730 -1.66304 144 6PZ -2.01107 0.86293 1.22054 2.07472 0.60623 145 7D 0 -0.03634 -0.03668 0.03772 0.04382 0.00991 146 7D+1 0.05507 -0.06782 0.00214 -0.01249 0.01951 147 7D-1 0.00494 0.00389 0.00906 -0.03245 -0.02208 148 7D+2 -0.01200 -0.01881 -0.01213 -0.02157 -0.03005 149 7D-2 0.01458 -0.02116 0.00446 -0.02038 0.09073 150 8D 0 -0.00988 -0.01095 0.01709 0.02073 -0.00193 151 8D+1 0.01620 -0.01829 0.00210 -0.00864 0.00059 152 8D-1 0.00026 -0.00760 -0.01043 -0.01156 -0.00262 153 8D+2 -0.00477 -0.00602 0.00097 -0.01543 -0.01791 154 8D-2 0.00950 0.00225 0.01027 -0.00736 0.01690 155 8 Cu 1S -0.01518 -0.00455 -0.00704 0.01978 -0.02593 156 2S -0.09656 -0.02758 -0.05719 0.14229 -0.19075 157 3S 0.59948 0.04629 -1.50818 0.57188 -1.74334 158 4PX -0.00129 0.02881 -0.03431 0.00080 -0.01450 159 4PY -0.04792 -0.01520 0.01607 0.03564 -0.03713 160 4PZ -0.00740 0.01001 -0.06173 0.01690 -0.02933 161 5PX -0.02996 -0.43554 0.65865 -0.22888 0.65336 162 5PY 0.61805 0.29126 -0.20416 -0.55127 0.57838 163 5PZ -0.08317 -0.33774 1.00078 -0.03989 0.34470 164 6PX 0.49626 0.99904 -1.53117 0.10162 -0.68026 165 6PY -1.13133 -0.51222 1.47455 0.09527 0.34702 166 6PZ 0.07619 0.58506 -0.83062 -0.53970 0.47741 167 7D 0 0.03275 0.02972 -0.04647 -0.02350 0.02787 168 7D+1 0.01501 0.01360 -0.04219 0.04979 -0.09171 169 7D-1 -0.04732 0.02782 -0.01725 -0.01102 0.03431 170 7D+2 0.04211 0.03111 -0.02384 -0.01552 0.00982 171 7D-2 -0.04260 0.03849 -0.01122 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-0.05050 -0.02085 0.02227 0.01730 0.03391 192 5PX -0.04898 0.02737 0.01457 -0.00902 -0.05877 193 5PY -0.05138 -0.06901 -0.17328 -0.00011 0.07578 194 5PZ -0.02821 0.00220 0.03866 -0.01668 0.06328 131 132 133 134 135 V V V V V EIGENVALUES -- 0.26913 0.26988 0.27995 0.29351 0.30303 1 1 Cu 1S -0.00286 -0.00624 0.00137 0.00708 0.00958 2 2S -0.07535 0.07949 0.03622 -0.03654 0.03929 3 3S -3.95079 6.65749 1.72737 -4.49471 0.35262 4 4PX -0.00271 0.04059 -0.00071 -0.01378 -0.02547 5 4PY -0.01645 -0.01060 -0.00133 -0.03316 0.04006 6 4PZ -0.02468 -0.03618 -0.02028 0.02732 0.01017 7 5PX -0.09808 -0.93660 0.22016 0.60582 1.23995 8 5PY 0.37944 0.44834 0.16685 0.85610 -1.56260 9 5PZ 0.82171 0.89048 0.56601 -1.09472 -0.33947 10 6PX -2.59908 -0.42284 -0.01979 1.71914 2.04193 11 6PY 3.33875 -0.19271 0.24586 -1.13603 -2.13840 12 6PZ 6.93492 1.55640 -1.12192 -5.28003 -3.58324 13 7D 0 -0.04950 0.08494 0.00833 -0.03965 0.05556 14 7D+1 -0.00501 -0.03973 -0.07898 -0.07023 -0.02300 15 7D-1 0.04662 0.06168 -0.00210 -0.00770 -0.08485 16 7D+2 -0.05083 0.03356 -0.00815 0.02504 -0.02903 17 7D-2 0.06709 -0.02493 -0.04217 -0.02557 0.07281 18 8D 0 -0.01497 0.03154 0.00835 -0.01739 0.01644 19 8D+1 -0.01603 -0.01957 -0.03316 -0.01579 -0.00531 20 8D-1 0.01748 0.01856 0.00332 0.00367 -0.01201 21 8D+2 -0.01214 0.01179 -0.00238 0.01115 -0.01643 22 8D-2 0.02100 -0.00538 -0.01122 -0.01159 0.00908 23 2 Cu 1S -0.01884 0.02104 0.00346 -0.01171 -0.00398 24 2S -0.17595 0.18511 0.02082 -0.07024 -0.01260 25 3S -1.89363 3.14678 0.59127 -1.24228 1.36438 26 4PX -0.01157 -0.03817 -0.00429 -0.01415 -0.01300 27 4PY 0.04066 -0.03224 -0.01198 0.00859 -0.04853 28 4PZ 0.03290 0.01203 0.08221 -0.04869 -0.02049 29 5PX 0.09298 0.72171 0.18719 0.43947 0.45560 30 5PY -1.11898 1.02440 0.11673 0.07801 0.77910 31 5PZ -0.70567 -0.29860 -1.68987 0.92339 0.49890 32 6PX 0.79669 -0.82160 0.66681 -0.98326 -0.27021 33 6PY -0.25211 0.31475 -0.36584 -0.08119 0.35442 34 6PZ -0.76017 -1.61253 2.99456 -0.61732 -0.16352 35 7D 0 -0.06121 0.04659 -0.01180 0.00833 0.05280 36 7D+1 0.00526 -0.01299 -0.03420 -0.06543 -0.03769 37 7D-1 -0.01066 -0.04937 -0.04287 0.02126 0.02610 38 7D+2 -0.01160 -0.04079 -0.01051 -0.00834 0.01337 39 7D-2 -0.02053 0.02561 0.02316 0.04249 -0.01656 40 8D 0 -0.02846 0.00750 -0.01335 -0.00769 0.01360 41 8D+1 -0.00623 0.00258 -0.01077 -0.01769 -0.00483 42 8D-1 0.00202 -0.00337 -0.01549 0.01497 -0.00550 43 8D+2 -0.01507 -0.00220 -0.00702 0.00002 0.01215 44 8D-2 -0.00651 0.01006 -0.00428 0.00969 0.01764 45 3 Cu 1S 0.00073 -0.02463 -0.00771 -0.00833 0.01165 46 2S 0.05931 -0.21860 -0.12723 -0.07657 -0.00281 47 3S 5.49045 -2.65821 -3.82873 -4.03518 -4.64213 48 4PX 0.01947 -0.04502 -0.04582 -0.04305 -0.01170 49 4PY -0.01499 -0.01346 0.00125 0.01377 -0.00388 50 4PZ -0.04461 0.07416 0.04581 0.01497 0.03817 51 5PX -0.50051 0.92500 1.02687 1.44052 0.53804 52 5PY 0.37123 0.60966 0.34634 -0.44094 0.08346 53 5PZ 1.29883 -1.15973 -0.96353 -0.42748 -1.32799 54 6PX 0.98171 0.30524 0.57339 -0.64048 -0.45501 55 6PY 1.15382 0.15419 -0.72881 -0.91572 -0.59035 56 6PZ 0.65866 -0.87256 -0.28622 -0.50844 -0.46171 57 7D 0 0.05409 -0.00004 0.00828 0.02855 -0.09706 58 7D+1 -0.03990 0.01932 0.06425 0.05135 0.02622 59 7D-1 0.00932 0.06369 0.04125 -0.04561 0.01022 60 7D+2 0.01858 -0.02433 0.01371 -0.08072 -0.04163 61 7D-2 -0.01796 -0.01130 0.01335 0.03125 -0.02964 62 8D 0 0.01953 0.00766 -0.00037 0.00797 -0.00229 63 8D+1 -0.01394 0.00983 0.00754 0.01387 0.01951 64 8D-1 0.00961 0.01896 0.01404 -0.00974 -0.00529 65 8D+2 -0.00336 -0.00775 -0.00338 -0.01446 0.00897 66 8D-2 -0.00722 -0.01241 -0.01366 -0.00496 0.00276 67 4 Cu 1S -0.01112 0.00889 0.00601 0.00617 -0.00226 68 2S -0.06926 0.00474 0.14968 0.18708 0.03431 69 3S 0.59638 -1.84258 5.36519 7.19668 1.58450 70 4PX -0.00410 -0.02930 -0.01260 -0.09627 -0.02088 71 4PY 0.01985 0.01312 -0.06101 0.00433 0.02775 72 4PZ -0.00022 0.05789 -0.06079 -0.05805 -0.02184 73 5PX 0.30233 0.66559 0.38329 2.18350 0.65453 74 5PY -0.75698 -0.28627 1.46379 -0.03866 -0.93986 75 5PZ 0.31353 -1.50623 1.49483 1.47634 0.57617 76 6PX 1.43280 -1.68884 2.49206 -1.32608 -0.85136 77 6PY -0.30545 1.07484 -2.12379 1.57776 0.69629 78 6PZ -1.34382 0.04310 0.17447 2.03123 0.84482 79 7D 0 0.02563 -0.07579 0.02476 0.02228 0.04184 80 7D+1 0.07192 -0.02724 -0.04725 0.03065 -0.01900 81 7D-1 -0.04777 -0.01464 0.07379 0.00873 -0.05921 82 7D+2 0.02011 0.05804 0.03043 0.05000 0.02368 83 7D-2 -0.00072 0.01528 -0.00038 -0.02868 0.02312 84 8D 0 0.01280 -0.02216 0.01117 0.00785 0.01528 85 8D+1 0.02320 -0.01058 -0.00329 0.01264 -0.00160 86 8D-1 -0.01904 -0.00913 0.01794 -0.00156 -0.01563 87 8D+2 0.00529 0.01466 -0.00096 0.01697 0.01972 88 8D-2 0.00501 0.00267 0.00693 0.00566 0.00750 89 5 Cu 1S -0.00616 0.00689 -0.00947 -0.00359 -0.01926 90 2S 0.12016 0.03180 -0.01298 0.06109 -0.18670 91 3S 6.53942 -1.17789 1.47339 4.74559 -3.01450 92 4PX 0.04808 0.02672 0.00906 0.03414 -0.02096 93 4PY -0.02779 -0.03657 0.04557 -0.04243 0.03309 94 4PZ 0.08228 -0.04262 0.02707 0.03047 -0.05337 95 5PX -1.33003 -0.61154 -0.30191 -0.99476 0.42639 96 5PY 0.61894 0.83112 -1.02294 1.03410 -0.72435 97 5PZ -1.93113 1.12054 -0.72592 -1.06385 1.23679 98 6PX -0.77662 0.36440 -0.36647 0.19808 0.08122 99 6PY 0.00083 -1.71666 2.99652 -0.48951 -0.38035 100 6PZ -1.15218 -1.01255 1.51077 -1.14142 0.48881 101 7D 0 0.05565 -0.09385 0.03940 0.00822 -0.02599 102 7D+1 0.04180 0.00783 0.03884 0.06097 0.03996 103 7D-1 0.01680 0.00366 0.05882 -0.04960 -0.00764 104 7D+2 0.01095 -0.03677 0.01185 0.00423 0.02985 105 7D-2 -0.05876 -0.02535 0.00452 -0.00376 -0.00998 106 8D 0 0.00563 -0.02405 0.01259 0.00753 -0.00576 107 8D+1 0.02760 -0.00586 0.01056 0.01609 -0.01142 108 8D-1 0.00042 0.00983 0.01390 -0.02562 -0.00287 109 8D+2 0.00481 0.00047 0.00714 0.00782 0.00234 110 8D-2 -0.01110 -0.01636 0.00433 -0.00670 0.00586 111 6 Cu 1S -0.00604 -0.00113 -0.00586 -0.01422 0.01889 112 2S 0.09567 0.01247 -0.05763 -0.13015 0.20521 113 3S 5.72907 1.04995 -1.14774 -2.88647 5.10693 114 4PX -0.05598 0.01058 0.00759 0.05175 -0.04689 115 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-0.00982 -0.08771 -0.20032 135 3S -5.54298 0.25331 -2.83657 -3.90222 -4.31532 136 4PX 0.01969 -0.00257 0.01910 0.04307 0.01871 137 4PY 0.04276 0.00361 0.01411 0.01921 0.08025 138 4PZ -0.00265 0.01351 -0.01569 -0.00027 -0.04128 139 5PX -0.60477 -0.14073 -0.46112 -1.13607 0.09943 140 5PY -1.36143 -0.15790 -0.31269 -0.06440 -2.06977 141 5PZ -0.14447 -0.42193 0.65941 0.14852 1.45705 142 6PX -0.68539 -0.16009 -0.28791 -0.19317 -0.50225 143 6PY -1.22937 0.62715 0.04199 0.16077 -0.20242 144 6PZ -1.21500 0.29094 0.62837 1.07848 0.66226 145 7D 0 0.03116 0.03868 -0.04983 -0.05594 -0.00824 146 7D+1 -0.09286 0.02394 0.01505 -0.01673 0.04232 147 7D-1 0.06059 0.03023 0.02388 -0.02377 0.04481 148 7D+2 0.01518 -0.03079 -0.01670 -0.04295 0.09592 149 7D-2 0.00562 -0.01674 -0.02610 -0.00550 0.00953 150 8D 0 0.00877 0.02546 -0.01813 -0.01715 -0.00367 151 8D+1 -0.03070 0.00289 -0.00379 -0.01224 0.01499 152 8D-1 0.02327 0.00466 0.01600 -0.00299 0.01816 153 8D+2 0.00031 -0.00068 -0.00897 -0.01996 0.02795 154 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0.16403 141 142 143 144 145 V V V V V EIGENVALUES -- 0.53429 0.62043 0.64335 0.64668 0.65533 1 1 Cu 1S 0.04662 -0.08318 -0.11273 0.07684 0.01822 2 2S 0.06511 -0.14093 -0.16282 0.12398 0.03600 3 3S -1.40636 3.14954 4.42883 -2.47752 -0.63031 4 4PX 0.00123 -0.00081 0.01545 0.00548 -0.00776 5 4PY -0.00533 0.00457 0.00969 -0.00299 0.01021 6 4PZ -0.00584 0.00560 -0.01133 -0.00080 0.00267 7 5PX -0.05294 -0.05349 -0.51921 0.17774 0.26089 8 5PY 0.34559 -0.43432 -0.34619 0.13258 -0.33577 9 5PZ 0.25263 -0.45479 0.42279 -0.11064 -0.04669 10 6PX 0.22459 0.44618 0.03389 0.97377 0.42194 11 6PY -0.55381 -0.87920 -0.43464 -0.50502 -0.39246 12 6PZ 0.99504 -1.57035 0.22811 -1.62005 -0.18583 13 7D 0 0.01922 -0.02747 -0.12320 0.14675 -0.10444 14 7D+1 0.00146 -0.06817 -0.17733 -0.03176 -0.03648 15 7D-1 -0.00239 -0.08285 0.00941 0.06702 0.12095 16 7D+2 0.02119 0.03086 0.09096 -0.01504 -0.01099 17 7D-2 -0.01688 -0.08797 0.16260 0.08929 -0.10226 18 8D 0 -0.02243 0.06341 0.20400 -0.22402 0.13934 19 8D+1 0.00664 0.09519 0.24788 0.06384 0.05377 20 8D-1 -0.01174 0.13249 -0.00685 -0.12431 -0.18243 21 8D+2 0.00283 -0.04874 -0.11943 0.01585 0.00872 22 8D-2 0.02697 0.10726 -0.24289 -0.13738 0.14586 23 2 Cu 1S -0.07722 0.02003 0.01550 -0.00629 -0.01402 24 2S -0.24871 0.01653 0.00756 -0.00778 -0.02221 25 3S 3.07108 -0.14056 0.42041 -0.88696 0.20559 26 4PX 0.01680 -0.01070 0.00347 0.00143 -0.00628 27 4PY -0.04330 0.00303 -0.01193 0.00474 -0.01200 28 4PZ -0.00733 0.00597 -0.00106 -0.00129 -0.00939 29 5PX -0.11201 0.32157 0.14342 0.14772 0.09537 30 5PY 0.01568 -0.31374 -0.16557 -0.04752 0.16284 31 5PZ -0.04492 -0.43416 -0.02602 0.08504 0.32312 32 6PX 0.06200 0.02445 -0.00968 -0.73390 0.38389 33 6PY -0.42237 -0.02688 0.03092 -0.16054 0.21806 34 6PZ -0.27980 0.39085 -0.16484 -0.37581 -0.43916 35 7D 0 0.09373 -0.15521 0.02111 -0.07990 -0.10795 36 7D+1 0.02698 -0.00980 0.02324 -0.00673 0.08638 37 7D-1 -0.06950 0.09694 -0.04270 -0.15785 -0.11034 38 7D+2 0.11431 0.08484 -0.03518 0.04719 -0.04722 39 7D-2 0.08128 0.09776 -0.09722 -0.12249 0.08880 40 8D 0 -0.14369 0.24445 -0.01233 0.10874 0.16044 41 8D+1 -0.04050 0.02284 -0.00980 0.01402 -0.12825 42 8D-1 0.10808 -0.15558 0.05340 0.21969 0.15734 43 8D+2 -0.18525 -0.11807 0.06094 -0.06385 0.04565 44 8D-2 -0.12936 -0.14437 0.14918 0.17717 -0.12815 45 3 Cu 1S -0.00954 0.05694 0.04295 -0.04957 -0.02322 46 2S 0.00865 0.07877 0.08402 -0.08363 -0.03528 47 3S 0.70196 -2.03856 -0.32942 0.29834 -0.21351 48 4PX 0.00520 -0.01201 0.00003 -0.00286 0.00064 49 4PY 0.00882 -0.00776 0.00324 -0.00558 -0.00794 50 4PZ -0.00318 0.00554 -0.00005 -0.00112 -0.00063 51 5PX -0.19735 0.27044 -0.05380 0.03018 -0.03567 52 5PY 0.11978 0.05929 0.01062 0.06106 0.05909 53 5PZ 0.18735 -0.46508 -0.05252 0.22099 -0.03339 54 6PX -0.09367 -0.15479 -0.11923 -0.38058 -0.36816 55 6PY 0.56717 -0.36351 0.01153 -0.52117 0.19171 56 6PZ -0.05698 -0.17379 -0.22656 -0.02288 -0.23497 57 7D 0 -0.01382 0.08204 0.05675 -0.00055 0.08693 58 7D+1 -0.01164 0.11311 0.00873 -0.09632 -0.00789 59 7D-1 -0.03158 0.03541 0.08407 -0.01407 -0.05650 60 7D+2 -0.02545 -0.04102 -0.07814 0.02864 0.09984 61 7D-2 0.02335 -0.15938 0.11273 -0.01835 0.04052 62 8D 0 0.03442 -0.12518 -0.08127 0.02733 -0.12879 63 8D+1 -0.00316 -0.13392 -0.00157 0.11444 0.00110 64 8D-1 0.04841 -0.04002 -0.11547 0.03620 0.07737 65 8D+2 0.04334 0.05182 0.10190 -0.04561 -0.14663 66 8D-2 -0.03094 0.22249 -0.16281 0.02341 -0.05802 67 4 Cu 1S 0.00317 0.12034 0.08443 -0.05018 -0.03186 68 2S -0.00844 0.19830 0.16627 -0.06732 -0.05052 69 3S -0.60008 -2.51366 -2.24833 1.34152 0.50321 70 4PX 0.00276 0.00233 0.00280 -0.00551 -0.00134 71 4PY 0.00570 -0.00213 0.00606 -0.00591 0.00942 72 4PZ 0.00355 0.00716 0.00364 -0.00949 -0.00005 73 5PX -0.16207 -0.12718 -0.26682 0.27520 0.09740 74 5PY 0.08674 -0.09021 -0.12795 0.17435 -0.29274 75 5PZ 0.00184 -0.73005 -0.45038 0.28200 0.13193 76 6PX -0.24023 -0.01240 -0.45166 -0.83114 -0.50776 77 6PY 0.33360 -0.14360 0.03164 0.90404 0.17874 78 6PZ 0.01496 -0.34187 -0.36243 0.89768 0.47838 79 7D 0 -0.01615 -0.00128 0.13722 -0.08128 0.05594 80 7D+1 -0.01890 0.01098 0.13134 0.06927 -0.03182 81 7D-1 0.00006 -0.10975 0.04378 -0.14242 -0.05639 82 7D+2 -0.01602 -0.13265 0.04207 0.05670 0.08541 83 7D-2 -0.01786 0.13983 -0.11809 -0.02661 -0.05400 84 8D 0 0.03122 -0.03151 -0.21920 0.10134 -0.05582 85 8D+1 0.02823 -0.03714 -0.19701 -0.07464 0.04037 86 8D-1 0.00630 0.13757 -0.07478 0.20563 0.05423 87 8D+2 0.01994 0.18132 -0.07802 -0.07071 -0.12018 88 8D-2 0.03741 -0.20507 0.15318 0.02898 0.07583 89 5 Cu 1S -0.01572 0.08136 0.14575 0.04253 0.05306 90 2S -0.03399 0.16318 0.27290 0.07128 0.05491 91 3S -0.22834 -1.60213 -3.60335 -0.79166 -1.49169 92 4PX -0.00143 -0.00085 -0.00164 -0.00158 -0.00154 93 4PY 0.00909 -0.00338 0.00747 0.00639 0.00741 94 4PZ 0.00206 0.00275 -0.00445 0.00353 -0.00770 95 5PX -0.01463 0.26729 0.42475 0.27696 0.09406 96 5PY 0.00272 -0.11194 -0.33389 -0.13572 -0.21327 97 5PZ 0.00115 0.12488 0.71526 0.00161 0.41747 98 6PX -0.36338 0.13939 0.41953 0.54616 0.05933 99 6PY 0.47244 0.12884 -0.30684 -0.55417 -0.18411 100 6PZ 0.48044 0.74155 0.56877 -0.18874 -0.01828 101 7D 0 -0.00939 0.09430 0.02415 -0.14399 -0.10270 102 7D+1 -0.01654 -0.00263 0.07129 0.04216 -0.14225 103 7D-1 0.04154 -0.11277 0.01850 -0.06954 0.01452 104 7D+2 -0.01233 0.07553 -0.01139 -0.01206 0.13800 105 7D-2 0.00548 -0.07788 -0.05781 -0.06269 -0.06252 106 8D 0 0.01552 -0.12588 -0.05805 0.19987 0.11493 107 8D+1 0.02352 -0.01659 -0.14201 -0.07849 0.20118 108 8D-1 -0.06216 0.15264 0.01477 0.07754 -0.01274 109 8D+2 0.02094 -0.12343 0.00476 0.01093 -0.18177 110 8D-2 -0.00627 0.11849 0.09000 0.09364 0.10254 111 6 Cu 1S -0.04012 0.06026 0.04866 0.08547 -0.00533 112 2S -0.08015 0.12538 0.11182 0.12572 0.01734 113 3S 0.55269 -0.75358 -0.95730 -2.56125 0.49555 114 4PX -0.00167 -0.00477 0.00177 0.00690 -0.00777 115 4PY -0.00069 -0.00336 -0.00004 -0.00249 0.00505 116 4PZ 0.00054 0.00060 0.00080 -0.00132 0.00659 117 5PX 0.10686 -0.04439 -0.20435 -0.38379 0.21272 118 5PY -0.05554 0.12828 0.20054 0.37914 -0.24595 119 5PZ 0.03531 -0.22179 -0.11077 -0.17330 -0.21336 120 6PX 0.44852 -0.28901 -0.17129 0.06889 -0.03239 121 6PY -0.24656 0.09734 0.32579 0.65187 0.13358 122 6PZ -0.04272 -0.21929 -0.13392 0.43495 0.23181 123 7D 0 0.01717 0.00953 -0.06284 0.13869 -0.15245 124 7D+1 0.00415 -0.01596 0.11656 0.03065 0.07010 125 7D-1 0.00487 -0.12537 -0.00036 -0.11467 0.03143 126 7D+2 -0.01502 0.12124 -0.00290 -0.03317 0.03678 127 7D-2 0.00548 -0.08898 -0.13549 0.04244 0.00353 128 8D 0 -0.02009 -0.01747 0.10681 -0.19690 0.20195 129 8D+1 -0.00264 0.01730 -0.16604 -0.06468 -0.11182 130 8D-1 -0.00434 0.18195 0.02012 0.14726 -0.04937 131 8D+2 0.01474 -0.14476 0.00605 0.05012 -0.04032 132 8D-2 -0.01227 0.12690 0.20875 -0.02944 -0.02148 133 7 Cu 1S 0.00572 -0.04875 -0.05386 -0.08119 0.00772 134 2S 0.00188 -0.05010 -0.04463 -0.14610 -0.01783 135 3S -0.83572 3.14236 3.02375 1.87488 -0.52576 136 4PX -0.00353 -0.00892 -0.01613 -0.00356 0.00682 137 4PY 0.00669 -0.00699 -0.01468 -0.00486 0.00945 138 4PZ -0.00006 0.00024 0.00130 0.00435 0.00100 139 5PX -0.06089 0.42216 0.49800 0.28849 -0.09715 140 5PY 0.02329 0.09485 0.32536 0.21829 -0.20241 141 5PZ 0.07038 -0.40419 -0.08065 -0.08458 0.17521 142 6PX -0.22496 0.10901 0.31301 0.33790 0.35187 143 6PY 0.34030 0.38646 0.12789 0.56486 -0.46538 144 6PZ -0.01658 -0.14195 0.11054 0.37228 0.31081 145 7D 0 0.00129 -0.01817 -0.07622 0.00519 0.13700 146 7D+1 0.01965 -0.04082 -0.14277 -0.00054 0.07775 147 7D-1 0.00753 0.17290 -0.10766 0.15861 -0.00489 148 7D+2 -0.01522 -0.06002 0.00352 -0.05401 -0.08243 149 7D-2 -0.02298 0.08364 0.18315 0.02104 0.03613 150 8D 0 0.00288 0.04942 0.11862 -0.03285 -0.18612 151 8D+1 -0.01669 0.05151 0.21219 0.00261 -0.08765 152 8D-1 -0.01723 -0.24653 0.13752 -0.23721 -0.00174 153 8D+2 0.01511 0.10190 0.00734 0.08818 0.11889 154 8D-2 0.04507 -0.13564 -0.25751 -0.04003 -0.04353 155 8 Cu 1S -0.02356 0.03238 0.02938 -0.09168 -0.04045 156 2S -0.04760 0.08471 0.05567 -0.13873 -0.04895 157 3S -0.60594 0.79407 -0.58441 3.15139 1.62941 158 4PX -0.00100 0.00803 -0.00525 -0.00146 0.00474 159 4PY 0.00139 0.01193 -0.00468 0.00911 0.00512 160 4PZ -0.00454 -0.00002 -0.00404 0.00413 0.00890 161 5PX 0.01323 -0.03477 0.02501 0.04284 0.05065 162 5PY -0.02317 -0.15697 0.10691 -0.36966 -0.31513 163 5PZ 0.16109 -0.07784 0.35016 -0.54471 -0.35513 164 6PX -0.13585 0.10439 -0.01854 0.47082 0.18395 165 6PY 0.21680 0.45032 0.07753 -0.36260 -0.24770 166 6PZ -0.57647 -0.02721 0.22222 -0.22992 -0.12173 167 7D 0 -0.02436 0.02428 0.07745 -0.13316 0.12227 168 7D+1 0.02670 -0.00045 0.02835 0.01396 -0.00518 169 7D-1 -0.01063 0.13635 0.05731 0.10725 -0.04935 170 7D+2 -0.00555 -0.07246 -0.04537 -0.03605 -0.12651 171 7D-2 -0.00496 0.13140 -0.00828 0.01690 0.06153 172 8D 0 0.02427 -0.02869 -0.12593 0.22139 -0.15901 173 8D+1 -0.03119 0.00648 -0.01816 -0.01681 -0.00300 174 8D-1 0.01459 -0.19088 -0.11064 -0.12169 0.09163 175 8D+2 0.00245 0.10666 0.06735 0.04906 0.18031 176 8D-2 0.00394 -0.18380 0.00644 -0.05501 -0.10306 177 9 C 1S 0.03120 0.01245 -0.00123 -0.00551 -0.01207 178 2S -0.15386 -0.15699 0.12568 -0.08347 -0.01941 179 3S -2.14441 -0.21050 -0.34039 0.12227 0.10029 180 4PX -0.23297 -0.02965 -0.03910 0.03818 0.03105 181 4PY 1.03864 0.11700 0.21070 -0.09848 -0.11835 182 4PZ 0.13340 0.02344 0.03519 0.00075 0.00316 183 5PX 0.16618 -0.00007 -0.00844 -0.13830 0.01437 184 5PY -0.45872 -0.16096 -0.20931 0.07569 0.13333 185 5PZ -0.03350 0.03987 -0.04544 -0.08877 -0.16442 186 10 O 1S -0.09163 -0.00810 -0.00357 0.00036 0.00429 187 2S 0.25996 0.01482 0.00601 -0.00964 -0.03007 188 3S 0.85332 0.06448 0.06545 0.00013 -0.00324 189 4PX 0.00042 0.03621 -0.13309 -0.25515 0.29779 190 4PY 0.10042 0.01995 0.08972 -0.13942 -0.04475 191 4PZ -0.00888 0.11183 -0.06938 -0.31262 -0.30770 192 5PX -0.34150 -0.08397 0.15433 0.38858 -0.40469 193 5PY 1.36707 0.18701 0.05489 0.13477 -0.04372 194 5PZ 0.22783 -0.13432 0.12225 0.44201 0.45161 146 147 148 149 150 V V V V V EIGENVALUES -- 0.66973 0.67933 0.71014 0.72095 0.73992 1 1 Cu 1S -0.02217 -0.12827 0.05460 -0.06306 0.07753 2 2S -0.06661 -0.19019 0.04076 -0.03761 0.10901 3 3S -0.43723 4.45275 -2.31437 3.56811 -1.77875 4 4PX -0.00572 0.00065 -0.00987 -0.00010 -0.01396 5 4PY -0.00315 -0.00368 -0.02050 0.01957 0.00824 6 4PZ 0.00020 -0.00483 -0.00098 0.01139 0.00461 7 5PX 0.03658 -0.31927 0.69151 -0.13953 0.75940 8 5PY 0.17157 -0.11384 0.69251 -0.84162 -0.31220 9 5PZ 0.26285 0.63113 0.01788 -0.08685 -0.04498 10 6PX -0.44066 -0.36185 1.42193 -0.20949 0.56560 11 6PY 0.85779 -0.24114 -0.83871 -0.52866 -0.35820 12 6PZ 0.30530 1.31566 -2.63317 -1.31073 0.69657 13 7D 0 0.00643 -0.01173 -0.03906 0.02735 -0.10561 14 7D+1 0.06292 0.15306 0.06388 0.08676 0.03372 15 7D-1 0.05414 0.11413 -0.02693 -0.11483 0.00560 16 7D+2 0.02058 -0.02080 0.06369 0.00941 0.09695 17 7D-2 -0.04423 0.02629 -0.03514 0.04343 -0.11635 18 8D 0 0.00087 0.06926 0.06002 -0.03819 0.15000 19 8D+1 -0.09796 -0.24909 -0.12334 -0.16918 -0.03709 20 8D-1 -0.08230 -0.14685 0.02701 0.17001 -0.02601 21 8D+2 -0.01151 0.03089 -0.09102 -0.03742 -0.17396 22 8D-2 0.06011 -0.04874 0.03282 -0.05969 0.19248 23 2 Cu 1S 0.02439 0.01089 0.01386 0.01564 -0.04282 24 2S 0.01109 0.03332 0.03485 0.00979 -0.04199 25 3S 2.39126 0.82848 -0.17188 -0.81212 -0.71965 26 4PX 0.00406 0.00128 -0.02362 0.00036 -0.01277 27 4PY -0.00749 -0.01806 -0.00426 0.02354 0.02949 28 4PZ -0.00807 -0.01675 0.00198 -0.00156 0.00479 29 5PX 0.02542 -0.06003 0.80645 -0.14952 0.49674 30 5PY -0.08900 0.32757 0.35584 -0.67142 -0.28409 31 5PZ 0.18695 0.54740 0.05763 0.19525 0.04915 32 6PX -0.40020 0.32154 -0.28644 -0.05121 0.49619 33 6PY 1.27723 -0.49199 -0.22873 0.12108 0.01356 34 6PZ 0.04863 0.07855 0.62386 -0.20142 -0.59498 35 7D 0 0.01963 -0.12265 -0.09262 -0.03202 0.10491 36 7D+1 -0.00574 -0.13714 0.08942 0.09373 -0.03289 37 7D-1 -0.11510 -0.03145 0.05113 -0.02643 -0.03255 38 7D+2 0.08664 -0.05378 0.12464 -0.02611 0.00357 39 7D-2 0.07490 -0.01350 -0.08556 0.04683 0.02742 40 8D 0 -0.02888 0.20120 0.15211 0.06360 -0.16860 41 8D+1 -0.00215 0.20175 -0.16429 -0.16891 0.05524 42 8D-1 0.17574 0.04829 -0.08103 0.00755 0.04914 43 8D+2 -0.13335 0.09347 -0.20327 0.07091 -0.02388 44 8D-2 -0.11963 0.02305 0.13148 -0.05506 -0.05871 45 3 Cu 1S 0.01393 0.06784 0.08490 0.04371 -0.02559 46 2S 0.04658 0.13154 0.10287 0.04103 -0.07493 47 3S -0.30942 -0.68118 -2.74133 -2.50864 0.03477 48 4PX 0.00187 -0.00216 -0.00669 -0.00244 -0.00179 49 4PY -0.00237 0.00672 0.00630 -0.01368 -0.00642 50 4PZ 0.00019 0.00247 0.00926 0.00464 0.00244 51 5PX -0.03669 0.13097 0.55973 0.44907 0.09433 52 5PY 0.10537 -0.14956 0.08645 -0.14501 0.01755 53 5PZ 0.06419 -0.12453 -0.41892 -0.40918 -0.11344 54 6PX 0.27198 0.23758 -0.18259 0.16340 -0.31432 55 6PY -0.21851 0.39645 -0.66763 -0.14856 0.51627 56 6PZ -0.13791 -0.47574 -0.36449 -0.40495 -0.04889 57 7D 0 0.02964 0.10013 -0.03349 0.00704 -0.02296 58 7D+1 -0.05803 -0.07990 0.13415 0.03279 0.05693 59 7D-1 -0.06412 -0.06067 0.08109 0.00340 -0.08483 60 7D+2 -0.00133 -0.04040 -0.02962 -0.07927 -0.07298 61 7D-2 -0.00788 -0.09126 -0.01053 0.05454 0.11022 62 8D 0 -0.03446 -0.16077 0.05017 -0.03570 0.03582 63 8D+1 0.07637 0.13255 -0.17580 -0.01347 -0.09059 64 8D-1 0.09044 0.07607 -0.10713 -0.03649 0.11661 65 8D+2 -0.00190 0.04143 0.02532 0.09036 0.10023 66 8D-2 0.01630 0.14713 0.00908 -0.08021 -0.17431 67 4 Cu 1S -0.02637 0.04129 -0.14204 -0.05177 -0.00856 68 2S -0.03432 0.13480 -0.19068 -0.04401 -0.02532 69 3S 0.83566 1.49272 4.19278 2.63078 -0.07235 70 4PX -0.00187 -0.00763 -0.01641 -0.02276 -0.00651 71 4PY -0.00626 -0.00843 -0.00032 -0.00212 0.00051 72 4PZ -0.00709 -0.00880 -0.01048 0.00063 -0.00120 73 5PX 0.05470 0.05543 0.84657 0.38887 0.40293 74 5PY 0.15397 0.12879 0.12606 -0.10191 -0.34015 75 5PZ 0.38709 0.44713 0.72682 0.42621 -0.06778 76 6PX -0.00844 -0.11325 -0.13530 -0.21703 -0.17735 77 6PY 0.07626 -0.25181 0.31123 0.16980 0.01781 78 6PZ -0.00208 -0.05828 0.81530 0.52002 0.09040 79 7D 0 0.01261 0.12192 0.11047 -0.03781 -0.03449 80 7D+1 0.04688 0.17896 0.04072 0.06448 -0.00294 81 7D-1 -0.01156 0.05838 -0.05141 0.11599 0.03760 82 7D+2 0.01154 0.04446 -0.10458 -0.12028 -0.10212 83 7D-2 0.03735 0.12734 -0.05387 -0.05874 -0.04280 84 8D 0 0.00174 -0.16110 -0.13435 0.09090 0.04378 85 8D+1 -0.05990 -0.26656 -0.04393 -0.11045 0.01924 86 8D-1 0.01766 -0.07901 0.08459 -0.17461 -0.07762 87 8D+2 -0.00993 -0.06684 0.17519 0.18532 0.17496 88 8D-2 -0.04349 -0.17802 0.07413 0.07005 0.07782 89 5 Cu 1S 0.01847 0.12969 -0.01103 -0.02443 0.01751 90 2S 0.00821 0.20654 -0.03822 -0.03850 -0.03129 91 3S -0.90725 -2.73730 0.52254 0.47795 -1.30151 92 4PX -0.00084 -0.00796 0.00377 -0.00855 -0.00544 93 4PY -0.00193 0.00539 -0.00272 0.00574 0.00517 94 4PZ -0.00500 -0.00782 -0.00634 -0.00059 -0.00912 95 5PX -0.00559 0.19958 0.01865 -0.13106 0.39524 96 5PY 0.10792 -0.12768 0.28752 -0.13645 -0.21834 97 5PZ 0.25098 0.76729 0.07684 0.00515 0.27433 98 6PX 0.30630 0.10233 -0.13995 0.08691 -0.27221 99 6PY -0.53723 0.05950 0.35117 -0.19961 -0.17658 100 6PZ -0.28997 0.37561 -0.06278 -0.18999 0.01082 101 7D 0 -0.05433 -0.04079 -0.06183 0.03467 0.03375 102 7D+1 -0.05344 -0.03179 -0.15939 -0.05937 -0.10593 103 7D-1 -0.02986 -0.10339 0.00764 -0.09825 0.11650 104 7D+2 0.01657 -0.02720 -0.01263 -0.09158 0.01483 105 7D-2 0.04787 0.17438 -0.04949 -0.06814 0.19694 106 8D 0 0.06975 0.02464 0.09223 -0.05363 -0.03617 107 8D+1 0.07671 0.02441 0.24047 0.10433 0.14952 108 8D-1 0.03401 0.16184 -0.03400 0.14912 -0.17231 109 8D+2 -0.01636 0.04829 -0.01102 0.13820 -0.02817 110 8D-2 -0.06865 -0.26200 0.06807 0.09483 -0.30853 111 6 Cu 1S 0.01836 0.05120 0.01321 0.01867 -0.13886 112 2S 0.03994 0.09791 0.02457 0.02339 -0.16731 113 3S -0.09613 -0.49963 -0.44455 -0.71511 3.66651 114 4PX 0.00001 -0.00082 -0.00077 0.00597 -0.01189 115 4PY 0.00234 -0.00341 -0.00212 -0.00811 0.01880 116 4PZ 0.00054 -0.00898 0.00011 -0.00297 0.00066 117 5PX -0.00063 -0.14953 0.11342 -0.28062 0.82151 118 5PY 0.00333 0.09437 0.19375 0.01707 -0.76758 119 5PZ 0.11952 0.46139 0.16807 0.02947 0.13916 120 6PX -0.11321 0.02026 0.03990 -0.20641 0.39458 121 6PY 0.09024 0.18229 0.46162 0.29312 -0.15032 122 6PZ 0.23019 -0.26915 0.64802 0.68067 0.25127 123 7D 0 -0.03412 -0.07123 -0.04191 0.08554 0.07975 124 7D+1 -0.02582 -0.05460 -0.03423 -0.19200 0.02803 125 7D-1 -0.03799 -0.07751 0.14264 0.10842 -0.07229 126 7D+2 0.02733 0.00278 0.03572 -0.01245 0.03147 127 7D-2 -0.02388 -0.02324 0.02111 -0.08633 -0.21808 128 8D 0 0.04160 0.10449 0.05805 -0.14307 -0.14690 129 8D+1 0.03984 0.09408 0.05895 0.28410 -0.01644 130 8D-1 0.04108 0.08709 -0.22186 -0.16138 0.12556 131 8D+2 -0.03824 -0.02112 -0.02473 -0.00001 -0.04136 132 8D-2 0.03402 0.04913 -0.03326 0.14062 0.31050 133 7 Cu 1S 0.00606 0.04320 -0.00742 0.12787 -0.02496 134 2S -0.01915 0.06039 0.00958 0.18687 -0.03814 135 3S -1.32660 -1.01980 0.28821 -3.21991 0.63216 136 4PX 0.00752 0.00993 -0.00441 0.01154 -0.01648 137 4PY 0.00195 0.01796 -0.00357 0.00929 0.00023 138 4PZ -0.00720 -0.01209 0.00231 -0.00556 -0.00408 139 5PX -0.19224 -0.21164 0.37352 -0.64901 0.75318 140 5PY 0.02710 -0.28441 0.04162 -0.32927 -0.42018 141 5PZ 0.37199 0.65477 0.04466 0.47507 0.14708 142 6PX 0.03556 -0.12226 0.02857 -0.24570 0.40755 143 6PY -0.33875 0.08463 0.67981 -0.43546 -0.39618 144 6PZ 0.13360 0.47502 0.73253 0.64379 -0.11697 145 7D 0 0.03890 0.02375 0.19676 0.03042 -0.04445 146 7D+1 0.02312 -0.08475 -0.13224 -0.05182 0.00517 147 7D-1 0.02025 -0.07232 0.01523 -0.00644 0.02952 148 7D+2 -0.04889 -0.00224 0.01397 0.00288 -0.11639 149 7D-2 -0.02890 -0.09871 -0.01715 0.09441 -0.05492 150 8D 0 -0.06189 -0.03743 -0.31750 -0.06792 0.06804 151 8D+1 -0.01772 0.15146 0.17415 0.08851 -0.00724 152 8D-1 -0.02851 0.12518 -0.01345 0.02573 -0.03184 153 8D+2 0.06777 -0.00167 -0.01934 -0.02620 0.22254 154 8D-2 0.04799 0.12985 0.02697 -0.14791 0.09360 155 8 Cu 1S 0.02114 0.06639 -0.00090 0.03155 0.00734 156 2S 0.04428 0.09153 -0.03662 0.07309 0.01119 157 3S -0.12079 -1.82813 0.62843 0.54652 -0.42425 158 4PX -0.00178 -0.00508 0.00451 0.01061 -0.00218 159 4PY 0.00132 -0.00981 -0.00926 0.00522 0.00780 160 4PZ 0.00062 -0.00558 -0.00470 0.00720 -0.00549 161 5PX 0.00703 0.02803 -0.04103 -0.20571 0.33993 162 5PY -0.01958 0.14481 0.13392 -0.14429 -0.20661 163 5PZ 0.06599 0.56058 0.06731 -0.06101 0.16175 164 6PX 0.10699 -0.26808 0.66651 0.46057 0.23835 165 6PY -0.38327 0.08353 0.13755 -0.01299 -0.15382 166 6PZ 0.34942 0.08703 -0.25602 0.08870 0.13361 167 7D 0 0.00824 0.01611 -0.01911 -0.15840 0.01247 168 7D+1 -0.04033 -0.14792 0.00520 -0.05303 0.10325 169 7D-1 0.01988 -0.02548 -0.17498 0.05451 0.05342 170 7D+2 0.00850 0.13448 -0.03086 0.01998 0.10611 171 7D-2 0.02101 -0.01201 -0.04155 -0.07483 0.13076 172 8D 0 -0.01307 -0.05167 0.02026 0.21839 -0.01596 173 8D+1 0.05325 0.21360 -0.00197 0.08646 -0.17943 174 8D-1 -0.02769 0.01504 0.27529 -0.10710 -0.08594 175 8D+2 -0.01743 -0.21495 0.03761 -0.04403 -0.17808 176 8D-2 -0.02930 0.03265 0.06564 0.12788 -0.20637 177 9 C 1S 0.05355 -0.02627 0.00065 0.02294 0.00550 178 2S 0.32457 0.01259 -0.07371 -0.31541 -0.10613 179 3S -0.21259 -0.12650 0.07460 0.25432 0.08581 180 4PX -0.09333 -0.01096 0.06563 -0.05831 0.09603 181 4PY 0.40443 0.06184 0.01631 0.00843 -0.29093 182 4PZ 0.07976 0.04314 0.01246 0.06146 -0.04069 183 5PX 0.12729 -0.08658 -0.54173 0.36677 -0.36135 184 5PY -0.68397 0.15625 -0.10222 0.11866 0.21101 185 5PZ -0.19415 -0.13432 -0.00241 -0.44970 -0.16159 186 10 O 1S 0.00798 -0.00592 -0.00121 -0.00415 0.00108 187 2S 0.05995 -0.02562 -0.00311 0.01577 0.02018 188 3S -0.26670 0.18318 0.01175 -0.02947 -0.06709 189 4PX -0.26189 0.01561 -0.37142 0.24994 -0.15491 190 4PY 0.79378 -0.22106 -0.11583 0.19854 -0.14426 191 4PZ 0.07317 -0.07135 0.05844 -0.34163 -0.19371 192 5PX 0.34840 -0.03527 0.65302 -0.46788 0.35041 193 5PY -0.98076 0.43210 0.22840 -0.22564 0.00241 194 5PZ -0.06825 0.14411 -0.08508 0.61783 0.31182 151 152 153 154 155 V V V V V EIGENVALUES -- 0.74648 0.75095 0.77018 0.78431 0.78707 1 1 Cu 1S -0.08587 0.05148 -0.02677 0.12885 0.05074 2 2S -0.14337 0.05000 -0.03793 0.15985 0.08259 3 3S 1.87282 -2.81528 1.29772 -3.66163 -1.16664 4 4PX 0.00736 -0.00780 0.00792 -0.01296 -0.00692 5 4PY -0.01553 -0.00374 0.00121 -0.01954 -0.00587 6 4PZ 0.01424 -0.00215 0.00051 -0.00366 -0.00595 7 5PX -0.55822 0.21815 -0.31587 0.70852 0.02563 8 5PY 0.48708 0.32948 -0.04975 0.72775 0.31096 9 5PZ 0.25206 0.40541 -0.22826 0.02696 -0.28069 10 6PX -0.22272 -0.95590 -0.05388 0.32186 1.36359 11 6PY -0.18628 1.21151 -0.15876 0.95176 -0.92522 12 6PZ 0.80110 2.89269 0.46675 0.27414 -1.81542 13 7D 0 -0.04291 0.03029 -0.07601 -0.10973 -0.10127 14 7D+1 0.01429 -0.13781 0.02620 0.04618 0.01715 15 7D-1 -0.08064 -0.00699 0.03478 -0.01979 0.06224 16 7D+2 -0.08598 0.02597 0.04103 -0.10637 0.02075 17 7D-2 -0.06472 -0.05587 -0.04937 0.14084 0.03792 18 8D 0 0.10728 -0.05040 0.11214 0.14712 0.14195 19 8D+1 -0.05491 0.23014 -0.03328 -0.02003 -0.01453 20 8D-1 0.12625 0.00590 -0.02782 -0.01814 -0.10944 21 8D+2 0.16491 -0.04735 -0.04862 0.16489 0.01928 22 8D-2 0.09953 0.08720 0.08323 -0.23120 -0.04947 23 2 Cu 1S -0.00420 -0.01077 -0.00226 -0.00579 -0.04337 24 2S 0.02822 -0.02584 -0.00024 -0.01011 0.01812 25 3S 2.85451 -0.49582 -0.08105 0.82479 3.25646 26 4PX 0.00972 -0.00480 -0.00622 0.00015 0.02657 27 4PY -0.04562 0.01333 -0.00272 -0.01602 -0.03207 28 4PZ -0.01324 -0.01402 0.00064 -0.00715 -0.00074 29 5PX -0.38146 0.02888 0.33488 0.35068 -0.85719 30 5PY 0.96906 -0.10388 -0.14192 0.59723 0.98228 31 5PZ 0.57264 0.40639 -0.36539 0.23540 -0.01904 32 6PX -0.33668 0.25944 -0.08366 0.24253 -0.48971 33 6PY 0.05568 0.28418 -0.28486 0.33801 0.05054 34 6PZ -0.66069 -0.81104 -0.01738 -0.15262 0.66100 35 7D 0 0.00651 -0.04039 0.06076 -0.04676 0.04355 36 7D+1 0.03192 -0.17004 -0.11741 -0.10382 -0.01495 37 7D-1 0.05430 -0.00265 -0.08833 0.06063 -0.04966 38 7D+2 -0.04996 0.09023 -0.06444 -0.04155 -0.00748 39 7D-2 -0.07149 0.03445 0.03384 0.04493 -0.11827 40 8D 0 -0.03445 0.05736 -0.11436 0.08864 -0.08818 41 8D+1 -0.06440 0.31267 0.19145 0.20034 0.01242 42 8D-1 -0.09483 -0.00525 0.13581 -0.11135 0.10257 43 8D+2 0.07315 -0.16021 0.09561 0.03605 -0.02631 44 8D-2 0.08509 -0.06660 -0.06738 -0.04894 0.20037 45 3 Cu 1S 0.02624 -0.12215 0.03548 0.00106 0.01940 46 2S 0.03947 -0.22200 0.08524 -0.01300 0.00663 47 3S -0.40539 3.96291 -0.27794 0.35979 -1.85511 48 4PX 0.00129 0.01246 0.00022 -0.00126 -0.00474 49 4PY 0.00084 -0.00525 0.00168 -0.00431 -0.00367 50 4PZ -0.00046 -0.00868 0.00305 -0.00100 0.00445 51 5PX -0.01922 -0.55712 -0.02261 0.02511 0.26542 52 5PY 0.08137 0.06108 -0.02914 0.11508 0.13443 53 5PZ -0.11260 0.70067 -0.10877 -0.00564 -0.32125 54 6PX 0.20994 -0.12012 0.17414 -0.18485 -0.30878 55 6PY 0.25789 0.71425 0.11508 -0.01115 -0.40956 56 6PZ -0.24499 0.61338 0.01211 0.17719 -0.36392 57 7D 0 -0.05653 0.11330 0.13377 -0.07587 0.05035 58 7D+1 -0.01669 0.16616 -0.00520 0.12079 0.04164 59 7D-1 0.07418 -0.06288 -0.11443 -0.12056 -0.05292 60 7D+2 0.04555 -0.08659 -0.01647 0.04579 -0.05266 61 7D-2 0.05021 -0.07765 0.13573 -0.06210 0.02485 62 8D 0 0.07125 -0.15184 -0.21957 0.11408 -0.08768 63 8D+1 0.04358 -0.31206 0.00924 -0.20478 -0.04440 64 8D-1 -0.11453 0.11402 0.17011 0.19477 0.08778 65 8D+2 -0.06152 0.13295 0.02695 -0.07189 0.08064 66 8D-2 -0.08044 0.12749 -0.21518 0.10964 -0.04559 67 4 Cu 1S 0.01500 0.05366 0.01856 -0.02585 0.00067 68 2S 0.01217 0.04479 0.00116 -0.03312 -0.00527 69 3S -0.20171 -2.26321 -1.06799 0.27302 0.33113 70 4PX 0.00111 0.00666 0.00435 0.00070 0.00059 71 4PY -0.00043 -0.00366 0.00969 0.00139 -0.00996 72 4PZ 0.00405 0.00933 0.00296 0.00059 0.00798 73 5PX -0.18860 -0.29632 -0.20585 0.22589 -0.19710 74 5PY -0.03450 -0.00910 -0.17330 0.39861 0.44817 75 5PZ -0.09459 -0.29420 -0.26974 -0.09046 0.07044 76 6PX -0.54170 0.18542 0.22954 0.03200 -0.07956 77 6PY 0.58227 -0.16787 0.14289 0.17652 0.11600 78 6PZ 0.02865 -0.57152 -0.44973 -0.05206 0.49716 79 7D 0 -0.11068 0.06812 -0.05739 0.11397 -0.00510 80 7D+1 -0.03546 -0.10233 0.01942 -0.08440 0.15417 81 7D-1 -0.04547 -0.02709 0.11400 0.06499 -0.11500 82 7D+2 0.01281 -0.13956 -0.07801 0.03800 -0.05028 83 7D-2 -0.00517 -0.00199 0.01419 0.03192 0.03465 84 8D 0 0.18446 -0.11381 0.07981 -0.21555 0.03904 85 8D+1 0.03654 0.17730 -0.03927 0.14847 -0.26885 86 8D-1 0.05843 0.05023 -0.18080 -0.06313 0.19723 87 8D+2 -0.01610 0.18816 0.11284 -0.06379 0.08884 88 8D-2 0.00953 -0.00094 -0.02854 -0.03795 -0.03781 89 5 Cu 1S 0.02694 0.01050 -0.03198 0.07713 -0.01529 90 2S 0.06488 0.02802 -0.03936 0.13136 -0.06356 91 3S 0.01226 -0.43695 0.51975 -1.89989 -0.26222 92 4PX -0.00457 0.00100 0.00085 -0.00079 -0.00714 93 4PY 0.00314 -0.00394 0.00157 -0.00101 -0.00364 94 4PZ -0.00645 -0.00022 0.00386 -0.01114 -0.00374 95 5PX -0.31258 0.04737 -0.09406 0.40417 0.08144 96 5PY 0.24630 0.25579 0.02479 0.21780 0.03562 97 5PZ 0.20277 0.12322 -0.12824 0.37942 0.12039 98 6PX -0.05929 0.17647 -0.10183 0.26874 -0.19792 99 6PY -0.46530 -0.71142 -0.03336 -0.26366 0.43078 100 6PZ -0.14109 -0.46107 0.14919 0.10533 0.47252 101 7D 0 0.17782 -0.11840 -0.08594 0.03220 -0.07784 102 7D+1 0.07776 0.18576 0.13365 0.04731 0.00982 103 7D-1 -0.11240 -0.00785 0.02217 0.02602 0.12553 104 7D+2 0.10788 -0.06970 0.06315 0.16133 0.00659 105 7D-2 0.07445 0.04687 -0.12657 -0.06867 0.01934 106 8D 0 -0.29500 0.17801 0.13046 -0.05487 0.11860 107 8D+1 -0.09827 -0.30748 -0.20619 -0.09842 -0.01442 108 8D-1 0.15829 -0.00194 -0.02547 -0.05621 -0.21556 109 8D+2 -0.14303 0.11904 -0.09813 -0.28473 0.00372 110 8D-2 -0.11128 -0.09053 0.20833 0.12029 -0.02967 111 6 Cu 1S -0.00252 -0.05146 0.02752 0.04510 0.00162 112 2S -0.03124 -0.06282 0.05820 0.07026 -0.03780 113 3S 0.05669 1.66180 -0.19559 -1.23380 -0.42966 114 4PX 0.00522 -0.01090 -0.00260 -0.00066 0.00664 115 4PY 0.00381 0.00885 -0.00176 -0.00241 -0.00293 116 4PZ 0.01144 -0.00811 -0.00470 -0.00661 -0.00155 117 5PX -0.20718 0.45768 -0.07656 0.06267 -0.12003 118 5PY -0.05079 -0.23303 -0.04950 0.40694 0.20569 119 5PZ -0.05664 0.04675 -0.15123 -0.09270 0.12173 120 6PX 0.34435 0.17983 0.12608 -0.21751 0.07884 121 6PY 0.25583 -0.35699 0.01874 0.26918 -0.02954 122 6PZ 0.48999 -0.30634 0.06583 0.09634 -0.13646 123 7D 0 0.01298 -0.02758 -0.06679 0.11065 0.17197 124 7D+1 -0.02586 0.05677 -0.23191 -0.00304 -0.00746 125 7D-1 0.05211 0.07617 0.07450 0.02092 -0.02118 126 7D+2 0.14149 0.00123 0.07118 -0.14152 0.21448 127 7D-2 0.12315 0.04224 -0.01466 -0.02177 0.04205 128 8D 0 -0.00415 0.04877 0.09895 -0.17763 -0.28582 129 8D+1 0.06017 -0.09048 0.34962 -0.01039 0.03184 130 8D-1 -0.07685 -0.10702 -0.10421 -0.01699 0.03285 131 8D+2 -0.22442 0.01055 -0.12935 0.25249 -0.32623 132 8D-2 -0.19936 -0.08235 0.01303 0.04406 -0.05914 133 7 Cu 1S 0.09193 -0.07868 -0.00778 -0.13631 0.03136 134 2S 0.12569 -0.11448 -0.00715 -0.14012 0.01219 135 3S -2.76634 1.86495 0.69885 4.63497 -1.81087 136 4PX 0.02685 -0.00528 -0.00234 -0.01589 0.01195 137 4PY 0.00453 0.00223 -0.00663 -0.02105 0.00304 138 4PZ 0.00401 0.01182 0.00363 0.00645 -0.01472 139 5PX -0.81673 0.51878 0.16497 0.93984 -0.40375 140 5PY -0.02126 -0.02672 -0.06643 0.82827 0.11759 141 5PZ 0.30757 -0.45536 -0.09161 -0.34668 0.47302 142 6PX -0.55302 0.36912 -0.37360 0.67741 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-0.07523 182 4PZ 0.07102 0.00223 -0.02010 0.02717 -0.00896 183 5PX -0.23484 -0.00325 -0.35106 -0.09761 0.63714 184 5PY 0.06553 0.08583 -0.13503 -0.03456 0.31446 185 5PZ -0.49778 -0.38339 0.17177 -0.19919 0.23659 186 10 O 1S 0.00181 -0.00096 0.00250 -0.00015 0.00272 187 2S -0.01940 0.02544 -0.01637 0.00110 0.01921 188 3S 0.11576 -0.07112 0.02481 0.01697 0.03490 189 4PX -0.19627 0.01998 -0.20654 -0.00810 0.33781 190 4PY -0.01682 0.11187 -0.18242 0.09984 0.00326 191 4PZ -0.37854 -0.28057 0.08213 -0.10785 0.11383 192 5PX 0.34726 -0.03017 0.41717 0.03051 -0.64565 193 5PY 0.02700 -0.22989 0.24918 -0.10737 -0.22723 194 5PZ 0.69337 0.52263 -0.17994 0.22700 -0.26182 156 157 158 159 160 V V V V V EIGENVALUES -- 0.80472 0.83430 0.84999 0.85916 0.86797 1 1 Cu 1S -0.03072 0.03951 0.02245 -0.03944 -0.00838 2 2S -0.07484 0.03721 0.02028 -0.00908 0.03721 3 3S 0.57867 -0.58018 -2.03158 3.62941 1.79358 4 4PX -0.01264 -0.00636 -0.00928 0.02801 0.00431 5 4PY 0.01068 -0.00498 -0.00890 0.01607 0.01720 6 4PZ -0.01851 0.00354 0.00269 -0.00246 -0.00709 7 5PX 0.49770 -0.01089 0.42001 -0.43985 -0.31025 8 5PY -0.41222 0.38816 0.27047 -0.99535 -0.31232 9 5PZ 0.35379 0.27417 -0.67502 -0.57047 0.59084 10 6PX -0.13377 -0.98113 0.74009 0.12511 -0.11841 11 6PY -0.13701 0.82820 -0.51831 -1.11202 -0.07905 12 6PZ -0.39749 1.99578 -1.43803 -1.46497 0.80496 13 7D 0 0.02308 0.08959 0.09301 0.04633 -0.05575 14 7D+1 -0.09911 -0.01529 -0.08828 0.00494 0.05278 15 7D-1 0.01389 -0.03692 0.20372 0.02516 0.04439 16 7D+2 -0.09716 0.05144 0.03999 0.01394 0.14415 17 7D-2 -0.06231 -0.04420 0.02579 0.02876 0.03378 18 8D 0 -0.00537 -0.15980 -0.15304 -0.07870 0.07181 19 8D+1 0.13574 0.03923 0.12583 -0.02333 -0.11386 20 8D-1 -0.02795 0.06758 -0.30014 -0.01718 -0.07503 21 8D+2 0.12371 -0.07997 -0.06125 -0.03523 -0.25680 22 8D-2 0.09294 0.04766 -0.06715 -0.03543 -0.07118 23 2 Cu 1S -0.03388 -0.07829 0.03157 -0.08426 -0.00017 24 2S -0.10947 -0.18044 0.04195 -0.18501 -0.09457 25 3S 1.35044 1.36250 -1.48494 2.10899 -1.25870 26 4PX 0.01108 0.01317 0.00042 -0.00540 -0.01097 27 4PY -0.02691 -0.00982 0.00933 -0.01302 0.00895 28 4PZ 0.00139 -0.00323 0.00247 -0.01196 -0.02933 29 5PX 0.18921 0.11302 -0.00505 0.57131 0.49062 30 5PY -0.40048 -1.06948 0.15138 -1.41745 -1.04034 31 5PZ -0.37852 -0.15712 0.12488 -0.05623 0.93700 32 6PX -0.00977 -0.01310 -0.15403 -0.45020 0.20157 33 6PY 0.13137 -0.07132 -0.02299 -0.05452 -0.26500 34 6PZ 0.12899 -0.43966 0.22922 0.28383 0.17430 35 7D 0 -0.09960 0.11569 0.03662 0.05545 0.06495 36 7D+1 0.10031 -0.02175 0.13069 0.04618 0.08003 37 7D-1 -0.01294 0.01799 0.07752 0.02975 0.14133 38 7D+2 -0.01210 0.11181 0.03039 0.00613 0.06822 39 7D-2 0.07739 -0.03901 -0.03082 0.13400 -0.01511 40 8D 0 0.14879 -0.27566 -0.05354 -0.13800 -0.11750 41 8D+1 -0.18778 0.04273 -0.23301 -0.11239 -0.15970 42 8D-1 0.05066 0.00972 -0.14778 -0.01969 -0.22838 43 8D+2 -0.03264 -0.30130 -0.03045 -0.09681 -0.12356 44 8D-2 -0.17336 0.03040 0.08223 -0.31312 0.02531 45 3 Cu 1S 0.05986 -0.07179 -0.02192 0.07257 -0.00771 46 2S 0.12585 -0.14629 -0.06273 0.12706 -0.01443 47 3S -1.12723 2.02704 -0.79522 -3.00941 0.37619 48 4PX 0.00134 0.00906 -0.00308 -0.00396 -0.00364 49 4PY 0.00566 -0.00453 0.00896 -0.00769 0.00006 50 4PZ 0.00941 0.00111 0.00873 0.01581 -0.00746 51 5PX -0.00927 -0.27418 0.21540 0.23004 0.17713 52 5PY 0.14589 0.13798 -0.17078 -0.02484 -0.20112 53 5PZ -0.19125 0.38107 -0.12081 -0.56750 0.29368 54 6PX 0.15976 0.25463 -0.21860 0.30340 0.06461 55 6PY -0.05829 0.41284 -0.36028 -0.24204 0.10446 56 6PZ -0.14700 0.30783 -0.00009 -0.49584 -0.30367 57 7D 0 0.20739 -0.10153 0.07776 0.07091 0.03649 58 7D+1 0.06141 0.05508 -0.03091 -0.16659 0.13483 59 7D-1 0.08250 0.07660 0.20321 -0.03011 -0.01224 60 7D+2 0.12975 -0.08799 -0.09087 -0.05032 0.33003 61 7D-2 0.12698 0.10154 -0.06361 -0.21856 -0.06281 62 8D 0 -0.35019 0.21544 -0.10975 -0.12950 -0.07558 63 8D+1 -0.11737 -0.12670 0.05318 0.31694 -0.24659 64 8D-1 -0.11941 -0.12363 -0.34203 0.04459 0.01909 65 8D+2 -0.21642 0.16225 0.15041 0.08758 -0.60971 66 8D-2 -0.23194 -0.18567 0.09987 0.41216 0.12312 67 4 Cu 1S -0.00949 0.02895 -0.04705 -0.03606 -0.07407 68 2S -0.00645 0.02248 -0.05791 -0.06016 -0.04699 69 3S 0.27323 -1.56794 1.80213 1.12445 3.36757 70 4PX -0.00172 -0.00306 -0.00894 0.00270 -0.02191 71 4PY -0.00262 0.00139 0.00589 -0.01391 0.00291 72 4PZ -0.00079 0.01231 -0.01012 -0.00995 -0.01030 73 5PX 0.05644 0.04333 0.25580 -0.10035 0.77160 74 5PY 0.09485 0.06434 -0.01582 0.02063 -0.22953 75 5PZ 0.16506 -0.33885 0.41476 0.30144 0.56569 76 6PX 0.10609 -0.07650 0.19414 -0.11282 -0.14824 77 6PY -0.03092 0.32921 0.12879 0.32553 0.04524 78 6PZ -0.08768 -0.56855 0.50848 0.26306 0.57801 79 7D 0 0.06910 0.12386 -0.05982 -0.03808 -0.09756 80 7D+1 -0.08903 -0.03375 0.06722 0.02238 -0.00828 81 7D-1 -0.00221 -0.08363 -0.00037 0.07485 -0.00319 82 7D+2 -0.01415 0.02429 -0.12476 -0.11940 0.13415 83 7D-2 -0.10081 0.01495 0.01915 0.08115 0.13154 84 8D 0 -0.10082 -0.23356 0.12554 0.09066 0.16054 85 8D+1 0.14059 0.08749 -0.10805 -0.06089 0.03360 86 8D-1 -0.00161 0.13831 0.00921 -0.12969 0.00415 87 8D+2 0.02026 -0.03930 0.21946 0.21056 -0.21082 88 8D-2 0.17314 -0.02494 -0.04189 -0.17377 -0.25590 89 5 Cu 1S 0.01120 -0.00623 -0.01389 -0.00107 0.02569 90 2S -0.00307 0.01275 -0.02257 0.00082 0.04600 91 3S -0.96892 -0.27203 0.69252 -0.70255 -1.14872 92 4PX -0.00675 0.01449 -0.00712 0.00583 -0.00854 93 4PY 0.00016 -0.00183 -0.00404 -0.01301 -0.00668 94 4PZ -0.00433 0.00442 0.00841 -0.01137 -0.00314 95 5PX 0.05684 -0.01116 0.11010 -0.20546 0.04688 96 5PY -0.18076 0.14589 -0.05530 0.07858 0.01413 97 5PZ 0.23480 -0.17236 -0.37208 0.15208 0.33717 98 6PX 0.09076 0.14326 0.01104 0.05645 0.03585 99 6PY 0.17839 0.01631 0.02745 0.16126 -0.03788 100 6PZ 0.25339 0.17996 -0.05449 0.43955 0.00266 101 7D 0 -0.04886 0.06140 -0.02862 0.05228 -0.04568 102 7D+1 0.03655 -0.00818 0.05093 -0.02982 0.07393 103 7D-1 -0.07314 0.01014 0.15341 0.06430 0.11882 104 7D+2 0.00152 -0.04610 0.18209 -0.02286 -0.09943 105 7D-2 0.07333 -0.04101 0.02853 -0.10623 0.01648 106 8D 0 0.07709 -0.07748 0.06337 -0.08838 0.07963 107 8D+1 -0.05438 -0.00294 -0.06778 0.06641 -0.13481 108 8D-1 0.13849 -0.02054 -0.25976 -0.11359 -0.18619 109 8D+2 0.01226 0.05666 -0.30244 0.04169 0.19124 110 8D-2 -0.12821 0.07425 -0.03247 0.19677 -0.03236 111 6 Cu 1S -0.00505 0.05858 0.04449 0.03758 0.06200 112 2S 0.01957 0.09058 0.06596 0.07135 0.10773 113 3S 0.49562 -1.41488 -1.22517 -1.98580 -1.40125 114 4PX -0.00295 0.00066 0.00280 0.00470 0.01098 115 4PY 0.00717 -0.00363 -0.00319 -0.01388 -0.00239 116 4PZ -0.00447 -0.00316 -0.00115 0.00165 -0.00124 117 5PX 0.21755 -0.09933 -0.17223 -0.39030 -0.29480 118 5PY -0.15231 0.36329 0.07991 0.25542 0.20359 119 5PZ 0.06203 -0.19365 -0.15402 0.05000 0.16049 120 6PX -0.03383 0.01075 -0.17257 -0.12526 0.00583 121 6PY -0.07205 -0.19254 0.33386 0.26235 0.31362 122 6PZ 0.11799 -0.11779 0.05347 0.16537 0.00510 123 7D 0 0.11438 -0.12542 0.03356 0.04024 -0.05616 124 7D+1 -0.03654 -0.11694 -0.04548 0.11428 -0.03825 125 7D-1 0.02708 -0.14313 -0.00660 0.09151 -0.04158 126 7D+2 -0.05035 -0.03565 -0.06648 -0.06383 0.07348 127 7D-2 -0.05361 0.00608 -0.05403 -0.05878 -0.11532 128 8D 0 -0.20298 0.21185 -0.07889 -0.06813 0.10026 129 8D+1 0.05875 0.17326 0.05446 -0.19979 0.07233 130 8D-1 -0.04084 0.25743 0.00842 -0.17383 0.05636 131 8D+2 0.09124 0.06329 0.10834 0.10354 -0.12412 132 8D-2 0.08647 -0.00423 0.09757 0.12036 0.22660 133 7 Cu 1S -0.01031 -0.09702 -0.01822 0.03499 0.02990 134 2S -0.03527 -0.11747 -0.03329 -0.00764 0.04327 135 3S -0.16712 2.82789 0.10441 -1.77042 -0.87692 136 4PX 0.00008 -0.01432 0.00097 0.00625 0.00844 137 4PY -0.00205 -0.02486 0.00389 0.00327 0.00219 138 4PZ -0.00210 -0.00582 0.00308 -0.00137 0.00879 139 5PX 0.13065 0.37813 0.15158 -0.38164 -0.13124 140 5PY -0.08566 0.76454 0.05831 -0.23625 -0.13652 141 5PZ 0.12977 -0.54577 0.13380 0.18410 0.26813 142 6PX 0.01282 0.39464 -0.10761 -0.48263 -0.01062 143 6PY 0.01824 0.21572 0.10515 0.51613 0.06716 144 6PZ 0.20135 -0.43503 -0.01760 0.51437 0.29219 145 7D 0 0.09309 0.04157 -0.00860 -0.00552 -0.03856 146 7D+1 0.08160 -0.05224 0.12244 0.00263 -0.02971 147 7D-1 -0.03286 -0.00977 -0.06080 -0.03315 -0.02616 148 7D+2 -0.00039 -0.08258 0.08704 -0.04614 0.03086 149 7D-2 0.02502 -0.05755 -0.02957 0.03319 0.03026 150 8D 0 -0.14543 -0.04387 -0.02963 -0.00868 0.04188 151 8D+1 -0.12360 0.05752 -0.19058 -0.00324 0.06235 152 8D-1 0.05109 -0.01790 0.09943 0.06364 0.06493 153 8D+2 0.01260 0.12311 -0.13886 0.06952 -0.05765 154 8D-2 -0.03290 0.09325 0.06310 -0.07574 -0.07304 155 8 Cu 1S 0.00743 -0.01050 -0.08814 -0.04522 0.01266 156 2S 0.01994 -0.06573 -0.18195 -0.05912 0.01771 157 3S -0.02333 -1.73063 2.74312 1.46221 -0.71529 158 4PX 0.00576 0.00382 0.00808 0.00250 -0.00488 159 4PY -0.00205 -0.00571 0.00685 0.00780 -0.00217 160 4PZ -0.00252 -0.00857 -0.00601 -0.00158 -0.00255 161 5PX 0.01085 -0.01581 0.02424 -0.10185 -0.07593 162 5PY -0.03340 0.33862 -0.30295 -0.16993 0.08592 163 5PZ 0.02278 0.32273 -0.49692 -0.32585 0.24588 164 6PX 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-0.08250 -0.08341 184 5PY -0.32867 -0.11755 0.07498 -0.28730 -0.15815 185 5PZ 0.30924 -0.25813 -0.07254 -0.39864 -0.58829 186 10 O 1S 0.00820 0.00453 -0.00151 0.00528 -0.00051 187 2S -0.03079 0.04900 -0.01147 0.04653 -0.00776 188 3S 0.07402 -0.00145 -0.04180 0.03192 0.02812 189 4PX -0.02863 0.18395 0.01602 -0.05621 -0.03225 190 4PY -0.16166 -0.14829 0.09745 -0.22864 0.00809 191 4PZ 0.16827 -0.13169 -0.03506 -0.14356 -0.13515 192 5PX 0.09720 -0.32016 -0.06104 0.21632 0.05976 193 5PY 0.15490 -0.10326 -0.06946 0.06076 0.04802 194 5PZ -0.36797 0.22832 0.09684 0.27193 0.38021 161 162 163 164 165 V V V V V EIGENVALUES -- 0.88100 0.89653 0.92902 0.96227 0.97733 1 1 Cu 1S -0.00275 0.02142 -0.02555 -0.01444 -0.00419 2 2S -0.02244 -0.01321 -0.03405 -0.04308 -0.01805 3 3S -1.24565 -1.55142 -0.38085 -1.28509 -0.32252 4 4PX -0.00360 -0.01703 -0.00874 0.00388 0.00224 5 4PY -0.01290 -0.00697 0.00339 -0.00946 0.00221 6 4PZ 0.00199 0.00099 0.00578 -0.00406 0.00646 7 5PX 0.05971 0.57902 0.14616 0.02827 -0.60544 8 5PY 0.40354 0.06066 -0.30543 0.35339 0.97662 9 5PZ -0.22342 -0.30951 -0.58551 0.35436 1.89998 10 6PX 0.21620 0.97218 0.78427 0.92199 -1.20092 11 6PY 0.15242 -0.56096 -0.98287 -0.79337 1.38299 12 6PZ -0.80200 -0.70705 -1.66992 -2.10871 3.41235 13 7D 0 -0.10185 -0.03291 0.00802 0.04183 0.03268 14 7D+1 -0.05799 -0.01629 -0.00625 -0.05424 -0.10697 15 7D-1 -0.00754 0.00586 0.13434 0.03488 0.11550 16 7D+2 -0.16118 -0.09675 -0.06759 -0.09541 -0.02623 17 7D-2 -0.02590 0.02587 -0.00701 -0.05880 0.04095 18 8D 0 0.18989 0.10986 -0.00315 -0.05585 -0.04523 19 8D+1 0.10310 0.04651 0.03819 0.08388 0.17148 20 8D-1 0.01750 -0.02265 -0.25102 -0.12834 -0.24634 21 8D+2 0.31387 0.19305 0.13755 0.21283 0.06774 22 8D-2 0.06545 -0.00092 0.03249 0.09187 -0.09663 23 2 Cu 1S 0.02840 -0.02401 0.01914 0.03541 0.01278 24 2S 0.15755 0.10539 0.07319 0.18210 0.10500 25 3S 1.22987 4.20861 0.53299 1.69568 1.49820 26 4PX 0.00005 0.01184 0.00607 0.02328 -0.01253 27 4PY -0.00987 -0.03279 -0.00793 -0.02220 -0.02100 28 4PZ -0.01934 -0.01565 -0.00889 -0.00106 0.01596 29 5PX -0.28910 -0.79624 -0.41632 -0.81915 -0.01577 30 5PY 1.48479 1.55327 0.68354 1.46458 0.86638 31 5PZ 0.54266 0.45098 0.65714 0.65893 0.19920 32 6PX -0.15958 -0.01220 -0.34362 -0.51605 0.38935 33 6PY 0.16937 0.68492 0.16507 0.03818 0.03851 34 6PZ 0.02911 -0.09575 0.31777 0.74519 -0.38423 35 7D 0 0.08761 -0.11119 -0.03990 0.07089 0.06771 36 7D+1 0.12617 0.04976 -0.15839 -0.06191 -0.04179 37 7D-1 0.02053 0.01963 0.14424 0.01474 -0.05438 38 7D+2 -0.21930 0.08643 -0.02523 -0.02865 -0.01284 39 7D-2 0.04786 -0.03129 0.09709 -0.07598 -0.03090 40 8D 0 -0.13879 0.21146 0.10041 -0.11517 -0.14149 41 8D+1 -0.23372 -0.10845 0.29544 0.11394 0.07085 42 8D-1 -0.06551 -0.03032 -0.27299 -0.00632 0.14198 43 8D+2 0.43571 -0.17303 0.08673 0.08171 0.01254 44 8D-2 -0.07341 0.01006 -0.19455 0.17044 0.05053 45 3 Cu 1S 0.00719 0.00204 -0.04235 0.00491 -0.09609 46 2S 0.00018 -0.03687 -0.05876 0.03357 -0.16856 47 3S -0.43433 -1.29885 -0.36650 -0.34941 3.22596 48 4PX 0.00517 -0.00586 -0.00240 0.00250 0.00675 49 4PY -0.00489 -0.00085 0.00156 0.00879 0.00949 50 4PZ 0.00548 0.00543 -0.00066 0.00315 -0.00349 51 5PX 0.00806 0.09723 -0.08220 -0.01054 -0.32912 52 5PY 0.05846 0.17447 -0.17184 0.01421 0.39833 53 5PZ -0.22698 -0.47768 -0.12548 0.07659 0.79052 54 6PX -0.08687 -0.39683 -0.38258 -0.35134 0.20613 55 6PY -0.19728 0.09471 -0.20506 -0.52020 0.57033 56 6PZ 0.01057 -0.29806 -0.11650 -0.26764 0.17952 57 7D 0 0.07209 0.12113 0.02760 0.11884 -0.07221 58 7D+1 0.02087 0.12447 -0.05189 -0.07454 0.09115 59 7D-1 -0.07006 0.00584 0.15879 -0.01628 -0.19316 60 7D+2 -0.06960 0.06869 -0.00334 0.07431 0.04557 61 7D-2 -0.04648 -0.00148 0.23556 -0.02357 -0.10710 62 8D 0 -0.14684 -0.25477 -0.06380 -0.22332 0.20106 63 8D+1 -0.02358 -0.21722 0.08844 0.14067 -0.22496 64 8D-1 0.12550 0.00391 -0.30912 0.05306 0.43984 65 8D+2 0.11928 -0.12740 0.01601 -0.15390 -0.09150 66 8D-2 0.08771 -0.01338 -0.45628 0.03652 0.19714 67 4 Cu 1S 0.03146 0.07189 0.03273 -0.08601 -0.01460 68 2S 0.01110 0.06219 0.01932 -0.14269 0.01794 69 3S -0.64777 -2.76176 -1.17536 1.67419 1.29932 70 4PX -0.00451 0.01275 0.00129 -0.01560 -0.01441 71 4PY -0.00142 0.00344 0.01446 0.00268 -0.00531 72 4PZ 0.01115 0.01194 0.00922 -0.00386 0.00022 73 5PX -0.12426 -0.22732 -0.26253 -0.04409 0.07287 74 5PY -0.05267 -0.02583 -0.18420 0.35520 0.32246 75 5PZ -0.23792 -0.72192 -0.25642 0.42174 0.51864 76 6PX -0.19570 -0.58506 -0.43125 -0.52483 0.06498 77 6PY 0.15210 -0.03954 -0.23581 -0.02065 -0.00016 78 6PZ 0.02908 -0.01849 0.37920 0.83138 -0.19660 79 7D 0 0.06536 -0.14914 0.02794 -0.03039 -0.01854 80 7D+1 -0.00204 0.12590 -0.03985 -0.09246 -0.04143 81 7D-1 -0.18459 0.05665 0.06680 -0.01158 0.01356 82 7D+2 -0.06399 -0.04099 0.06362 -0.04439 0.01095 83 7D-2 0.05257 -0.13553 0.15533 -0.07439 -0.07022 84 8D 0 -0.09672 0.23576 -0.04280 0.09321 0.06300 85 8D+1 -0.01131 -0.23334 0.05255 0.15285 0.09068 86 8D-1 0.31315 -0.10274 -0.12580 0.04968 -0.01005 87 8D+2 0.10964 0.09060 -0.12921 0.07305 -0.02735 88 8D-2 -0.09291 0.28074 -0.27368 0.15849 0.15383 89 5 Cu 1S -0.01938 0.00740 0.05270 0.09072 -0.00606 90 2S -0.02222 -0.05557 0.08166 0.11072 -0.06849 91 3S 0.57736 -1.45991 -1.25472 -2.07692 -1.10551 92 4PX 0.00381 -0.00549 0.00057 0.00371 -0.00442 93 4PY 0.00683 0.00920 -0.00246 0.01304 0.00516 94 4PZ 0.00111 -0.01310 -0.00518 -0.01605 -0.00213 95 5PX -0.26971 0.07832 0.04449 0.18124 0.09383 96 5PY 0.10135 0.10839 -0.01094 -0.31237 -0.13922 97 5PZ 0.03742 0.59554 0.30397 0.55724 0.48476 98 6PX 0.12621 -0.16964 0.19684 0.33219 -0.03145 99 6PY 0.13474 -0.03219 -0.14140 0.19499 -0.10963 100 6PZ -0.14073 0.28599 0.10035 0.26228 -0.13919 101 7D 0 0.04910 0.01216 0.05115 0.09582 0.09140 102 7D+1 0.01673 -0.06772 -0.08148 0.06573 -0.15699 103 7D-1 0.12313 0.00844 0.07726 0.02152 0.05459 104 7D+2 -0.14584 -0.01802 -0.01356 -0.22036 0.08793 105 7D-2 -0.03460 -0.02018 -0.17321 0.08636 -0.10821 106 8D 0 -0.09999 -0.05107 -0.11892 -0.18752 -0.20301 107 8D+1 -0.02171 0.11520 0.14477 -0.16215 0.29663 108 8D-1 -0.23586 -0.04992 -0.14775 -0.04917 -0.07477 109 8D+2 0.27776 0.02631 0.02402 0.42734 -0.16945 110 8D-2 0.06146 0.03655 0.33715 -0.15555 0.21863 111 6 Cu 1S -0.02429 -0.13347 -0.01370 0.10382 -0.03749 112 2S -0.06433 -0.19239 -0.01461 0.16424 -0.10942 113 3S 0.97655 3.78278 0.55345 -1.89582 -0.19739 114 4PX -0.00918 -0.02372 -0.00567 0.00195 0.00015 115 4PY -0.00666 0.00659 0.00091 -0.00955 0.00094 116 4PZ 0.00154 0.00140 -0.00713 -0.00035 0.00226 117 5PX 0.16656 0.73200 0.08943 -0.36132 -0.16427 118 5PY -0.04597 -0.70287 -0.23326 0.13857 0.15454 119 5PZ -0.01776 -0.12170 -0.14571 -0.26467 0.17953 120 6PX 0.00786 0.51132 -0.00047 -0.17530 0.17852 121 6PY -0.26850 -0.31620 0.07174 0.54014 -0.05247 122 6PZ 0.16872 0.21036 -0.15319 0.11298 -0.05854 123 7D 0 -0.01576 0.02958 0.12924 0.02971 0.09536 124 7D+1 -0.07566 -0.06264 0.01753 0.05307 -0.11527 125 7D-1 -0.19100 -0.10384 -0.03146 0.15076 0.03589 126 7D+2 0.00486 -0.11847 0.03593 -0.03927 -0.01022 127 7D-2 0.09703 0.11901 -0.02620 -0.07852 0.00077 128 8D 0 0.02226 -0.07831 -0.25428 -0.08144 -0.18009 129 8D+1 0.14349 0.11890 -0.03627 -0.15185 0.22961 130 8D-1 0.33828 0.20248 0.06440 -0.29551 -0.07193 131 8D+2 -0.01614 0.18299 -0.07642 0.05686 0.00766 132 8D-2 -0.18671 -0.26367 0.04549 0.15378 0.01430 133 7 Cu 1S 0.03432 0.03052 0.00162 0.03982 0.02486 134 2S 0.02867 0.01663 -0.06589 0.00398 0.01278 135 3S -1.37401 -1.63691 -1.03177 -1.84369 -1.06458 136 4PX 0.00683 0.01482 0.01086 0.00924 0.00778 137 4PY 0.01559 0.00451 0.00549 0.01680 0.00409 138 4PZ -0.00549 -0.00190 -0.00578 -0.00525 -0.00337 139 5PX -0.64640 -0.37855 -0.37595 -0.57865 -0.25494 140 5PY 0.10011 0.04997 -0.16706 -0.02656 -0.04523 141 5PZ -0.05725 0.24678 0.06568 0.48824 0.47795 142 6PX 0.10258 0.01098 0.03808 -0.10461 -0.02384 143 6PY -0.39897 -0.33115 0.21273 0.34431 -0.36113 144 6PZ 0.27793 0.14829 0.56187 0.89677 -0.19140 145 7D 0 0.07645 -0.26266 0.03706 0.07611 0.04319 146 7D+1 0.02776 -0.09862 -0.08823 -0.16061 -0.11722 147 7D-1 -0.11176 -0.02510 0.08408 0.13158 0.01456 148 7D+2 -0.08226 -0.09528 -0.02999 -0.07769 0.02293 149 7D-2 0.04759 -0.12941 -0.11186 0.00247 0.01187 150 8D 0 -0.09792 0.47702 -0.05184 -0.16239 -0.09155 151 8D+1 -0.04152 0.20602 0.16377 0.33092 0.24861 152 8D-1 0.16761 0.03806 -0.16859 -0.27278 -0.00727 153 8D+2 0.08991 0.16896 0.05604 0.13979 -0.05817 154 8D-2 -0.05249 0.27737 0.21493 -0.00130 -0.02505 155 8 Cu 1S 0.00809 0.00039 -0.09652 -0.08068 0.10611 156 2S 0.02594 0.00777 -0.13267 -0.08931 0.20885 157 3S 0.51032 0.63416 2.95308 3.67477 -3.39173 158 4PX -0.00332 0.00560 0.00889 -0.00212 0.01387 159 4PY 0.00447 0.00226 0.01469 0.00934 -0.00869 160 4PZ 0.00517 0.00948 0.00415 0.01202 -0.02118 161 5PX 0.09709 0.23252 0.05889 -0.12126 -0.39662 162 5PY -0.19024 -0.26916 -0.53841 -0.54223 0.26932 163 5PZ -0.06725 -0.08703 -0.54618 -0.56292 0.87635 164 6PX 0.01593 0.19880 0.30979 0.38366 -0.41037 165 6PY 0.04652 0.01686 0.01101 -0.24358 -0.26577 166 6PZ 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0.10673 0.25349 186 10 O 1S -0.00090 0.00002 -0.00047 0.00046 0.00141 187 2S -0.02077 0.03361 -0.01749 -0.02513 -0.00588 188 3S 0.01261 -0.02262 0.02310 0.01409 -0.01572 189 4PX -0.17492 0.02670 -0.05929 0.05648 -0.04438 190 4PY 0.05154 0.02511 0.08091 0.06966 -0.05201 191 4PZ -0.06707 -0.01969 -0.07379 0.05778 0.06799 192 5PX 0.38798 -0.05484 0.11568 -0.16828 0.12535 193 5PY -0.00867 -0.19035 -0.08656 -0.10595 0.07022 194 5PZ 0.16123 0.02741 0.22403 -0.10450 -0.17923 166 167 168 169 170 V V V V V EIGENVALUES -- 0.99882 1.03462 1.03965 1.04651 1.06222 1 1 Cu 1S 0.01885 0.01376 0.05862 0.01802 0.03242 2 2S 0.07362 0.03280 0.10630 0.04425 0.11807 3 3S 0.89782 -0.09256 -1.38056 0.10252 0.33525 4 4PX 0.01002 -0.00890 -0.01013 -0.00942 -0.00951 5 4PY -0.00234 0.00409 -0.01928 -0.00329 0.00626 6 4PZ 0.01221 -0.00401 -0.00428 -0.00241 0.00365 7 5PX -0.26808 0.23723 -0.22514 -0.00154 0.08715 8 5PY 0.00168 -0.15212 0.79014 -0.11348 -0.67832 9 5PZ 0.45667 0.39303 0.93535 0.34049 -0.94589 10 6PX -0.68003 0.11437 0.13616 -0.99773 0.02331 11 6PY 0.53604 -0.01618 0.35042 0.79872 -0.53656 12 6PZ 0.64445 -0.53371 0.74272 1.79907 -0.91703 13 7D 0 -0.00210 0.07716 -0.11812 0.06633 -0.01555 14 7D+1 -0.07972 0.02540 -0.03874 0.09456 -0.17476 15 7D-1 -0.05396 -0.07901 0.06079 0.08347 -0.01058 16 7D+2 -0.02754 0.04887 -0.00878 -0.06275 0.05030 17 7D-2 0.07397 0.05831 0.06286 0.16729 0.08686 18 8D 0 -0.02559 -0.16327 0.22867 -0.15533 0.00875 19 8D+1 0.13895 -0.05527 0.08459 -0.18445 0.36340 20 8D-1 0.10324 0.12774 -0.17802 -0.15406 0.05312 21 8D+2 0.02442 -0.11514 0.04635 0.10505 -0.10778 22 8D-2 -0.16957 -0.12879 -0.12887 -0.34146 -0.15927 23 2 Cu 1S -0.00069 0.01979 -0.00940 -0.02528 -0.04150 24 2S -0.11552 0.01963 0.11548 -0.15524 -0.14768 25 3S -1.49213 -0.99466 2.42515 -1.42329 -0.93415 26 4PX 0.00342 0.00090 0.01884 0.00357 -0.01396 27 4PY 0.01301 0.00259 -0.01369 0.01892 0.01423 28 4PZ 0.00548 0.00263 0.01518 0.00487 -0.00171 29 5PX 0.36936 0.12991 -0.33754 0.36216 0.13269 30 5PY -1.13195 -0.17694 1.07734 -1.16385 -0.74987 31 5PZ -0.27829 -0.04087 0.10859 -0.22178 -0.15538 32 6PX 0.06130 0.01201 -0.07171 0.31456 -0.17753 33 6PY -0.20715 -0.16131 0.15011 -0.08721 -0.03935 34 6PZ -0.00262 0.36031 -0.14946 -0.15820 0.01098 35 7D 0 -0.06464 0.11515 -0.17185 0.06927 0.00169 36 7D+1 -0.01855 -0.05295 0.07802 0.03898 -0.12327 37 7D-1 -0.07712 -0.12161 -0.02922 0.05671 0.02687 38 7D+2 -0.04268 -0.01389 0.06665 -0.06360 -0.01632 39 7D-2 0.02983 -0.04998 0.19179 0.05704 0.07468 40 8D 0 0.10453 -0.22572 0.37665 -0.17905 -0.01925 41 8D+1 0.03460 0.09679 -0.18276 -0.06786 0.26256 42 8D-1 0.17648 0.25371 0.08687 -0.11175 -0.05903 43 8D+2 0.06736 0.04318 -0.18174 0.10500 0.05757 44 8D-2 -0.05517 0.12654 -0.42268 -0.12296 -0.18813 45 3 Cu 1S 0.00453 0.02059 -0.03475 -0.06634 -0.00848 46 2S 0.02612 0.05067 -0.07359 -0.12585 0.02374 47 3S 0.44277 -0.22790 0.91997 1.91797 -0.57712 48 4PX -0.00155 0.00534 -0.00622 0.01434 0.00024 49 4PY -0.00370 -0.01159 -0.00703 -0.00118 0.00021 50 4PZ -0.00621 0.00315 -0.01043 -0.00783 0.00235 51 5PX 0.09649 0.02923 -0.00312 -0.31348 -0.07395 52 5PY -0.01151 0.09781 0.42400 -0.01764 -0.25747 53 5PZ 0.34037 0.03621 0.32918 0.40854 -0.19994 54 6PX 0.28149 0.00702 -0.13031 0.24647 0.02644 55 6PY -0.01900 -0.23750 0.01971 0.34151 -0.06159 56 6PZ 0.02369 -0.07487 -0.08072 0.35287 0.00558 57 7D 0 -0.11507 0.14293 -0.18229 -0.01733 0.06048 58 7D+1 -0.00743 0.06950 -0.06085 0.20969 -0.06770 59 7D-1 0.02419 -0.05676 -0.06011 0.03279 0.08024 60 7D+2 0.03812 0.08497 -0.06265 -0.02448 -0.00687 61 7D-2 0.05531 0.15910 0.10474 0.07087 -0.02605 62 8D 0 0.25742 -0.29064 0.39076 0.05470 -0.13513 63 8D+1 0.00697 -0.14587 0.12372 -0.45934 0.13649 64 8D-1 -0.05918 0.10524 0.15021 -0.07406 -0.19075 65 8D+2 -0.08525 -0.19836 0.13735 0.04781 0.02611 66 8D-2 -0.10271 -0.32632 -0.22746 -0.15270 0.06758 67 4 Cu 1S -0.09410 -0.07174 -0.02208 0.01780 -0.03669 68 2S -0.12817 -0.09361 -0.03880 0.04642 -0.15189 69 3S 2.28760 2.06457 0.75260 -0.24492 -0.79346 70 4PX -0.01900 -0.00670 -0.00088 0.00778 0.00428 71 4PY -0.00991 0.00476 0.01307 0.01460 -0.00391 72 4PZ -0.00885 -0.01305 -0.01454 0.01014 0.00406 73 5PX 0.40500 0.25179 -0.00222 -0.00854 -0.20252 74 5PY 0.09692 0.06364 0.27857 -0.20280 -0.28181 75 5PZ 0.48184 0.52168 0.31648 0.04652 -0.25272 76 6PX 0.28081 0.14580 -0.33718 0.45391 -0.04568 77 6PY 0.03625 -0.12313 0.30794 -0.13794 -0.02588 78 6PZ 0.15104 0.36242 0.21753 -0.45125 0.06932 79 7D 0 -0.07607 -0.11742 -0.14439 0.04044 -0.05630 80 7D+1 -0.09637 0.03152 -0.02326 0.09308 -0.10715 81 7D-1 -0.08711 -0.13948 -0.05442 0.08123 0.00663 82 7D+2 -0.07232 -0.15021 -0.03835 -0.05849 0.00011 83 7D-2 0.12176 0.17626 0.01692 0.12622 0.04132 84 8D 0 0.17148 0.25573 0.30132 -0.08431 0.12549 85 8D+1 0.18999 -0.04984 0.04944 -0.14993 0.21573 86 8D-1 0.17661 0.30120 0.14546 -0.15755 -0.03577 87 8D+2 0.16067 0.31323 0.09434 0.11820 -0.01485 88 8D-2 -0.27079 -0.36980 -0.01012 -0.25681 -0.09863 89 5 Cu 1S -0.05037 0.02406 0.03187 -0.05967 -0.10971 90 2S -0.07978 0.03591 -0.02358 -0.09801 -0.20484 91 3S 1.03272 -0.30289 -1.52965 0.61694 1.73888 92 4PX 0.01128 -0.00011 -0.01993 0.00967 0.01775 93 4PY 0.00060 0.00673 -0.00504 -0.00693 -0.00591 94 4PZ 0.00303 -0.00964 -0.00608 0.00564 0.01536 95 5PX -0.15072 0.03817 0.31020 -0.05124 -0.37499 96 5PY -0.00967 -0.23912 -0.07337 -0.02510 0.06209 97 5PZ -0.22538 0.10828 0.47952 -0.23222 -0.48381 98 6PX 0.03884 0.09930 0.05110 -0.08885 -0.09845 99 6PY 0.07245 0.23389 -0.13483 -0.01156 0.03113 100 6PZ -0.23141 0.03994 0.13051 -0.14833 -0.25378 101 7D 0 -0.10273 0.10310 -0.01623 -0.06630 -0.09725 102 7D+1 -0.03267 -0.07341 0.10111 -0.00084 -0.24002 103 7D-1 -0.11372 -0.09137 0.07085 -0.00990 0.04056 104 7D+2 -0.01374 0.09354 -0.07537 -0.04595 -0.01003 105 7D-2 0.11413 -0.09082 0.02943 0.16220 0.12219 106 8D 0 0.21288 -0.19927 0.00134 0.16417 0.21747 107 8D+1 0.07135 0.15126 -0.22485 -0.00553 0.52506 108 8D-1 0.23082 0.18720 -0.13859 0.04936 -0.07976 109 8D+2 0.02035 -0.19699 0.17915 0.09047 0.01913 110 8D-2 -0.23907 0.19135 -0.05757 -0.34264 -0.26536 111 6 Cu 1S 0.06034 0.06694 0.03280 -0.04989 -0.05293 112 2S 0.08520 0.11556 0.03389 -0.12601 -0.11265 113 3S -1.67898 -1.06074 -0.79556 0.01453 0.65433 114 4PX 0.00036 -0.00179 0.00359 -0.01219 0.00368 115 4PY -0.01359 -0.01034 -0.00889 0.00219 0.01139 116 4PZ 0.01203 0.00739 -0.00205 0.00447 -0.00634 117 5PX -0.24223 -0.03112 -0.23160 0.10559 -0.01637 118 5PY 0.41219 0.26950 0.15415 0.10408 -0.35047 119 5PZ 0.07126 0.04533 -0.01092 -0.04319 -0.10634 120 6PX -0.20345 -0.23974 0.13565 -0.06972 0.12179 121 6PY 0.08896 0.10600 0.18265 -0.26025 -0.09083 122 6PZ 0.02958 -0.09663 0.14191 -0.19868 0.06336 123 7D 0 0.17570 -0.11405 -0.11609 0.00703 -0.08125 124 7D+1 -0.07744 0.15165 0.03738 0.04308 -0.05259 125 7D-1 -0.08968 0.03163 0.04208 0.07197 0.03417 126 7D+2 -0.03492 -0.08316 0.01778 -0.08220 0.07073 127 7D-2 -0.17564 0.02252 0.01781 0.15700 0.16694 128 8D 0 -0.35364 0.23338 0.23304 0.01293 0.16818 129 8D+1 0.16720 -0.30510 -0.09922 -0.08440 0.09435 130 8D-1 0.16284 -0.09616 -0.09567 -0.14365 -0.06662 131 8D+2 0.06448 0.17869 -0.04763 0.16932 -0.15470 132 8D-2 0.38166 -0.03153 -0.03263 -0.30732 -0.36666 133 7 Cu 1S 0.01905 -0.01303 -0.06291 -0.01205 0.14844 134 2S 0.06157 -0.03928 -0.20242 0.01437 0.30925 135 3S 0.07714 -0.09267 -0.45923 1.06774 -1.55792 136 4PX -0.00745 0.00560 0.01711 -0.01436 0.00825 137 4PY 0.00736 0.01192 0.03106 -0.00607 -0.00133 138 4PZ -0.00390 0.00725 0.01976 0.00581 -0.01867 139 5PX 0.10145 -0.04179 -0.29878 0.36691 -0.22295 140 5PY -0.02324 -0.09129 -0.17585 0.07122 -0.26453 141 5PZ 0.03506 0.11449 0.28582 -0.22916 -0.14713 142 6PX -0.00648 0.09883 0.02147 0.11252 -0.27526 143 6PY 0.07862 0.09529 0.13136 -0.17328 -0.01000 144 6PZ 0.00278 0.30147 0.11111 -0.52018 0.09173 145 7D 0 0.00948 -0.01912 -0.07246 0.04922 -0.06093 146 7D+1 -0.01967 -0.03190 -0.05561 0.06105 -0.13277 147 7D-1 -0.16694 -0.06531 0.10360 0.14018 -0.07052 148 7D+2 0.02683 -0.02508 -0.03105 -0.10512 0.08724 149 7D-2 0.02394 0.01224 0.11284 0.12835 0.09144 150 8D 0 -0.04482 0.00073 0.12153 -0.10422 0.13978 151 8D+1 0.03091 0.06867 0.16588 -0.14368 0.22274 152 8D-1 0.34576 0.13924 -0.22763 -0.29441 0.15618 153 8D+2 -0.06828 0.04011 0.06541 0.22209 -0.19287 154 8D-2 -0.06332 -0.03323 -0.21235 -0.27805 -0.18839 155 8 Cu 1S 0.00891 -0.01516 0.04536 0.05730 -0.08073 156 2S -0.02141 -0.03044 0.14417 0.13215 -0.16000 157 3S -1.30879 0.62159 -0.04151 -1.76779 1.30247 158 4PX 0.00173 -0.00003 0.00009 -0.00396 -0.00377 159 4PY -0.00506 0.00423 0.01220 -0.00314 -0.00444 160 4PZ -0.01189 0.00354 0.01071 -0.00373 0.00538 161 5PX -0.21225 -0.08041 -0.21368 -0.02640 0.13729 162 5PY 0.26907 -0.10899 -0.25897 0.25911 -0.04285 163 5PZ 0.33013 -0.06065 0.07693 0.21618 -0.47368 164 6PX -0.11003 0.00313 0.00715 -0.32917 0.15734 165 6PY 0.01442 0.02736 -0.23280 -0.01446 -0.00770 166 6PZ 0.04451 -0.17114 -0.11601 0.17980 -0.09346 167 7D 0 0.16170 -0.02330 0.00190 0.13376 -0.15165 168 7D+1 -0.03046 -0.01590 -0.13892 0.01320 -0.00713 169 7D-1 -0.13865 -0.05628 -0.06447 0.09868 0.08070 170 7D+2 -0.17775 0.14132 0.16736 -0.10100 -0.01449 171 7D-2 -0.03333 -0.01996 -0.06820 0.02884 0.13269 172 8D 0 -0.33937 0.04828 -0.01863 -0.28016 0.34514 173 8D+1 0.07557 0.05376 0.31366 -0.02245 -0.00847 174 8D-1 0.26921 0.11482 0.12707 -0.22437 -0.14922 175 8D+2 0.36695 -0.29007 -0.36590 0.22750 0.03046 176 8D-2 0.08500 0.04726 0.14671 -0.05897 -0.28392 177 9 C 1S -0.00425 0.00482 0.00273 -0.00031 0.00240 178 2S 0.19176 -0.17543 0.00628 0.18890 0.06299 179 3S -0.71263 0.21094 0.20734 -0.68488 -0.28111 180 4PX -0.02288 0.01948 0.00013 -0.01741 0.00584 181 4PY 0.03955 -0.03354 -0.17147 0.00236 -0.01250 182 4PZ 0.02052 -0.00746 -0.02806 -0.01564 -0.01023 183 5PX 0.10589 0.07209 -0.08921 -0.00464 -0.10515 184 5PY -0.32331 -0.00378 0.13679 -0.27780 -0.09636 185 5PZ 0.06572 0.13183 0.27700 -0.11279 -0.13796 186 10 O 1S 0.00196 0.00218 -0.00003 -0.00078 -0.00229 187 2S -0.02300 -0.03025 0.04400 0.01888 0.03356 188 3S 0.04781 -0.00211 -0.10886 -0.00828 -0.03111 189 4PX 0.01904 0.02967 -0.00120 -0.01370 -0.04966 190 4PY -0.02877 -0.00315 -0.06331 -0.02089 -0.00414 191 4PZ 0.03735 0.04729 0.05458 -0.02178 -0.03110 192 5PX -0.04983 -0.08173 0.06474 0.04682 0.12877 193 5PY 0.11900 0.01669 -0.03054 0.06045 0.00145 194 5PZ -0.09686 -0.12018 -0.18601 0.06652 0.09153 171 172 173 174 175 V V V V V EIGENVALUES -- 1.08739 1.11117 1.13641 1.18587 1.23475 1 1 Cu 1S 0.03251 -0.05623 -0.01263 -0.05123 0.00124 2 2S 0.07081 -0.23431 -0.10319 -0.17043 0.04111 3 3S -0.15571 -0.30045 -0.55932 -0.74657 1.16684 4 4PX -0.00766 0.00447 0.00314 -0.02601 0.02673 5 4PY 0.00728 -0.00155 -0.01497 0.01242 0.00972 6 4PZ 0.00311 0.01284 0.01196 -0.02130 -0.02173 7 5PX 0.31854 0.67776 1.13628 -0.19697 -0.61900 8 5PY -0.52062 0.73621 -0.14910 1.24154 -0.00520 9 5PZ -0.25493 0.53190 -0.85198 -0.40205 0.11864 10 6PX 0.21263 0.99018 0.56116 -0.23658 -0.13331 11 6PY -0.28014 0.04432 -0.03628 0.81419 0.18878 12 6PZ -0.14943 -0.33243 -0.25402 -0.59904 0.09547 13 7D 0 0.17106 -0.05405 -0.04708 0.03263 0.06766 14 7D+1 -0.00686 0.01793 -0.06479 -0.02371 0.18995 15 7D-1 -0.05587 0.03418 0.02344 -0.09295 -0.00863 16 7D+2 0.14547 0.01690 0.05032 -0.07816 -0.08912 17 7D-2 0.08151 0.09681 0.02288 0.08331 -0.19328 18 8D 0 -0.35325 0.19467 0.15075 -0.07153 -0.16347 19 8D+1 0.03231 -0.08925 0.10423 0.04383 -0.51813 20 8D-1 0.09517 -0.06363 -0.02494 0.30066 0.07686 21 8D+2 -0.31754 -0.04900 -0.16141 0.26217 0.23262 22 8D-2 -0.14073 -0.26235 -0.07432 -0.23180 0.48863 23 2 Cu 1S 0.00763 0.00373 0.00735 0.06984 0.03605 24 2S 0.08172 0.12034 -0.08516 0.32262 0.06533 25 3S -0.14272 1.93996 -1.79321 2.26409 -0.37800 26 4PX -0.01044 0.01481 0.00876 0.01720 -0.01127 27 4PY -0.00186 -0.00875 0.01906 -0.03653 -0.00777 28 4PZ 0.00298 0.00073 -0.00457 0.00047 -0.00184 29 5PX 0.14226 0.15428 0.62102 -0.62377 0.27067 30 5PY 0.30682 1.00326 -0.70451 1.74150 0.06466 31 5PZ -0.06227 0.17735 -0.19744 -0.58593 -0.46366 32 6PX 0.24160 0.25737 0.51265 -0.45814 0.05228 33 6PY 0.06119 0.10410 -0.09843 0.03726 -0.20099 34 6PZ 0.00798 0.33075 -0.10189 0.14532 0.03736 35 7D 0 0.03865 -0.10395 0.07268 0.05152 -0.03049 36 7D+1 0.05364 0.00810 -0.04242 -0.01483 -0.11653 37 7D-1 -0.03359 0.05999 0.02976 0.16375 0.07856 38 7D+2 0.14672 0.11980 0.04263 0.05129 0.09153 39 7D-2 0.19919 -0.02786 -0.13536 0.07999 -0.03811 40 8D 0 -0.03765 0.27938 -0.15194 -0.12554 0.06340 41 8D+1 -0.11809 -0.03655 0.11041 0.03489 0.29348 42 8D-1 0.05335 -0.15014 -0.08834 -0.46958 -0.23445 43 8D+2 -0.29104 -0.30380 -0.12719 -0.12835 -0.24606 44 8D-2 -0.44442 0.11426 0.36852 -0.20198 0.10818 45 3 Cu 1S -0.02680 0.16848 0.11770 0.05034 0.01819 46 2S -0.04353 0.22951 0.17139 0.02312 -0.03170 47 3S -0.36829 -2.78277 -2.51904 -1.26548 -0.90722 48 4PX -0.00489 -0.02207 -0.01958 -0.01211 -0.01177 49 4PY -0.00600 -0.01085 0.00399 -0.00786 0.00517 50 4PZ 0.00973 0.01714 0.02536 0.01698 0.01413 51 5PX -0.01621 0.71076 0.69153 0.27611 0.42855 52 5PY 0.10684 0.35810 -0.27887 0.37515 0.10824 53 5PZ -0.29401 -0.53458 -0.70567 -0.54518 -0.29659 54 6PX -0.10556 -0.02576 0.05933 0.34567 0.18445 55 6PY 0.06697 -0.16792 0.16883 -0.39311 -0.00347 56 6PZ -0.00419 -0.63642 -0.20861 0.08694 -0.04241 57 7D 0 0.13074 -0.01979 0.04900 0.07711 0.00166 58 7D+1 -0.04307 -0.13972 -0.16195 -0.07733 -0.06730 59 7D-1 -0.08124 -0.10620 0.05590 -0.11944 0.00104 60 7D+2 0.01124 0.04974 0.07502 0.01000 0.04827 61 7D-2 0.04782 0.11421 -0.04751 0.06101 0.05194 62 8D 0 -0.29727 0.03332 -0.11128 -0.19529 0.00177 63 8D+1 0.07779 0.34182 0.38191 0.20554 0.17691 64 8D-1 0.18840 0.25611 -0.14111 0.30431 0.01711 65 8D+2 -0.02224 -0.13065 -0.18678 -0.00723 -0.12563 66 8D-2 -0.11204 -0.26415 0.10742 -0.15260 -0.12433 67 4 Cu 1S 0.00952 -0.10445 0.02718 0.00568 0.01443 68 2S -0.01625 -0.08555 0.13502 -0.07847 0.02396 69 3S -0.99568 2.92173 1.13501 -1.27057 0.00250 70 4PX 0.00834 -0.00910 -0.01727 0.01663 -0.00490 71 4PY 0.00000 0.00229 0.00024 0.00688 -0.01055 72 4PZ 0.01465 -0.02100 -0.02540 0.01075 0.00285 73 5PX -0.11041 0.72277 0.95820 -0.44860 0.29139 74 5PY -0.21026 0.30200 -0.08290 0.76072 0.11049 75 5PZ -0.28750 0.43084 0.04244 -0.75827 -0.31968 76 6PX -0.01348 0.02200 0.36817 0.16066 0.16317 77 6PY -0.20950 -0.00008 -0.27097 0.34364 -0.06924 78 6PZ -0.10363 0.37756 -0.11554 -0.47151 -0.24477 79 7D 0 0.09951 0.01079 0.05261 0.05918 0.04771 80 7D+1 0.02863 -0.00489 -0.13243 0.07681 0.00997 81 7D-1 0.01932 -0.07727 0.01963 -0.13107 -0.06604 82 7D+2 0.12764 -0.11721 -0.07094 0.03612 -0.07054 83 7D-2 -0.03043 0.04886 0.01183 -0.10519 -0.05145 84 8D 0 -0.19129 -0.01638 -0.16797 -0.18267 -0.13812 85 8D+1 -0.05779 -0.00003 0.30289 -0.21409 -0.03234 86 8D-1 -0.05875 0.19403 -0.04222 0.37295 0.16696 87 8D+2 -0.27094 0.30129 0.19996 -0.08931 0.19517 88 8D-2 0.08900 -0.08592 -0.04791 0.27065 0.12791 89 5 Cu 1S -0.00139 0.09291 0.03709 -0.08249 -0.09913 90 2S -0.05152 0.11239 0.04967 0.03008 -0.16021 91 3S -0.92822 -1.86519 0.03426 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-0.04572 -0.09529 0.13747 -0.02992 112 2S -0.07716 -0.05670 -0.09732 0.11259 -0.08398 113 3S 1.81541 1.42961 2.40581 -2.83872 -0.05083 114 4PX -0.01354 -0.00973 -0.01752 0.02440 -0.00979 115 4PY 0.01900 0.01332 0.00186 -0.02979 -0.00967 116 4PZ 0.00095 0.00449 -0.01669 0.00444 0.02202 117 5PX 0.42696 0.54316 0.79165 -0.67866 -0.07783 118 5PY -0.50375 0.11066 -0.15165 0.95175 0.10036 119 5PZ -0.00826 0.58532 0.51966 -0.28410 -0.17335 120 6PX 0.11570 0.14710 0.02613 -0.23857 -0.05815 121 6PY -0.23417 0.08679 -0.33374 0.23058 -0.15329 122 6PZ -0.10225 0.24882 -0.04055 0.17831 0.08502 123 7D 0 0.12781 -0.02742 -0.03419 -0.04226 0.04529 124 7D+1 -0.06691 -0.09182 -0.19303 0.04320 0.06194 125 7D-1 -0.07245 0.03640 -0.03610 -0.00763 -0.04606 126 7D+2 0.07989 -0.11528 -0.05833 -0.05723 -0.07276 127 7D-2 0.11347 0.07650 0.05669 -0.11615 0.02049 128 8D 0 -0.27493 0.08223 0.08429 0.10891 -0.09766 129 8D+1 0.15855 0.26457 0.48138 -0.12687 -0.13612 130 8D-1 0.16281 -0.08936 0.09519 0.01883 0.10932 131 8D+2 -0.16820 0.29000 0.15764 0.15290 0.15977 132 8D-2 -0.24900 -0.16108 -0.13786 0.29271 -0.04124 133 7 Cu 1S -0.03045 0.10452 -0.11322 -0.00073 -0.05982 134 2S -0.10946 0.38791 -0.12417 0.08938 -0.14545 135 3S -0.13367 0.98384 2.71045 1.17856 -0.23601 136 4PX 0.01218 -0.01628 -0.00503 -0.01909 0.01447 137 4PY 0.00991 -0.02700 0.00007 0.00635 0.02155 138 4PZ -0.00462 0.01313 0.01951 0.00061 -0.00438 139 5PX 0.01016 0.79798 0.97093 -0.47463 -0.54644 140 5PY -0.46172 0.65818 -0.10057 0.99521 -0.46055 141 5PZ 0.01319 0.41210 -0.42236 -0.84202 -0.33609 142 6PX 0.13369 0.21294 0.56102 -0.41431 -0.00667 143 6PY -0.18062 -0.02609 -0.10987 0.51942 0.06897 144 6PZ 0.03268 0.33039 -0.10987 -0.43889 -0.16740 145 7D 0 0.06022 0.11137 -0.01217 -0.03949 -0.09710 146 7D+1 -0.02168 -0.02845 0.00121 0.04722 -0.00716 147 7D-1 -0.05803 -0.10904 0.14005 0.15268 -0.10832 148 7D+2 0.03074 0.02359 -0.18575 0.11498 0.08099 149 7D-2 0.09435 -0.12818 0.14247 -0.01326 0.26883 150 8D 0 -0.09974 -0.27474 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0.03560 -0.02937 0.03453 0.11804 -0.09626 15 7D-1 -0.03576 -0.17737 0.13783 0.07602 0.01918 16 7D+2 0.02085 0.00560 -0.10775 -0.02936 -0.14944 17 7D-2 0.11553 0.07279 0.12208 -0.04844 0.09890 18 8D 0 -0.09942 0.42080 -0.18500 -0.41951 -0.36685 19 8D+1 -0.10126 0.05931 -0.08641 -0.31733 0.28997 20 8D-1 0.09014 0.51822 -0.39857 -0.22076 -0.07424 21 8D+2 -0.06217 -0.00730 0.29474 0.07890 0.41735 22 8D-2 -0.31376 -0.20390 -0.33772 0.12250 -0.26560 23 2 Cu 1S -0.00180 0.01001 -0.00649 -0.01206 -0.02154 24 2S -0.03319 0.00763 0.00471 -0.01836 -0.05115 25 3S -0.21014 -0.17123 0.13925 0.56554 -0.20107 26 4PX 0.01812 -0.02356 -0.02145 -0.01138 -0.00188 27 4PY 0.00099 0.00152 -0.00553 -0.00642 -0.00029 28 4PZ 0.00320 -0.00625 -0.01426 0.01918 0.01772 29 5PX -0.14889 0.54037 0.66066 0.04476 0.30839 30 5PY -0.28923 -0.06355 -0.01665 -0.08704 0.25259 31 5PZ 0.17262 -0.23358 0.29578 0.32252 -0.65218 32 6PX 0.07489 -0.28490 -0.27343 -0.12021 -0.19363 33 6PY -0.00520 -0.18282 -0.08903 0.17809 -0.10161 34 6PZ 0.09340 0.12662 -0.04260 -0.16999 0.05705 35 7D 0 -0.04741 -0.01767 -0.10234 -0.07402 0.00941 36 7D+1 -0.26234 0.00636 -0.02439 0.07115 0.06855 37 7D-1 -0.01057 0.01443 -0.06051 -0.00433 0.10969 38 7D+2 -0.05221 0.09901 0.09994 -0.05695 0.02371 39 7D-2 0.08763 -0.10979 -0.10595 -0.04779 -0.05756 40 8D 0 0.12292 0.02308 0.27346 0.20988 -0.05301 41 8D+1 0.70686 -0.03573 0.09390 -0.22131 -0.21681 42 8D-1 0.05117 -0.05548 0.17108 0.04527 -0.30994 43 8D+2 0.11718 -0.27994 -0.29504 0.16963 -0.07866 44 8D-2 -0.22616 0.29395 0.28744 0.12150 0.18248 45 3 Cu 1S 0.03372 0.08487 -0.06565 -0.04147 -0.11221 46 2S 0.10481 0.17099 -0.10949 -0.02057 -0.31113 47 3S 0.39666 -0.57865 0.96105 1.32509 -0.80850 48 4PX -0.00302 0.01281 0.01268 0.02383 -0.01637 49 4PY 0.01623 -0.00943 0.00396 -0.00178 -0.00481 50 4PZ -0.01711 -0.00326 0.01136 0.00347 0.01925 51 5PX -0.07185 -0.39881 -0.33837 -0.60154 0.69904 52 5PY -0.38603 0.03141 -0.00241 0.18469 0.49969 53 5PZ 0.31029 -0.33927 0.02053 0.19735 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-0.28472 0.75121 74 5PY 0.24203 -0.34263 0.43288 -0.34293 -0.62753 75 5PZ 0.35539 0.36562 0.31521 0.91955 -0.66610 76 6PX 0.22468 0.46668 0.23743 0.09536 -0.66991 77 6PY -0.15776 0.27512 -0.32922 0.45386 0.66060 78 6PZ 0.06697 -0.48980 -0.18735 -0.13530 0.32422 79 7D 0 -0.15525 -0.12737 0.01883 -0.13998 0.05671 80 7D+1 0.09569 -0.07433 -0.09178 -0.16242 0.01367 81 7D-1 -0.02228 0.11234 -0.11529 0.09687 0.19019 82 7D+2 -0.06268 0.12353 0.08164 0.05703 -0.18768 83 7D-2 -0.22591 0.06649 0.04116 -0.01103 -0.01567 84 8D 0 0.42457 0.33183 -0.09075 0.41819 -0.16474 85 8D+1 -0.24114 0.20011 0.27016 0.42552 -0.05300 86 8D-1 0.04528 -0.29427 0.34741 -0.27329 -0.51728 87 8D+2 0.16025 -0.32749 -0.23863 -0.17416 0.51403 88 8D-2 0.57092 -0.18021 -0.13347 0.02291 0.04590 89 5 Cu 1S 0.01870 -0.06222 -0.08114 0.01772 -0.04455 90 2S 0.02076 -0.11080 -0.18889 0.01542 -0.05810 91 3S -0.56467 0.88188 0.22164 -0.92465 0.63972 92 4PX 0.01118 0.00734 0.01280 -0.00909 0.00551 93 4PY -0.00943 0.01364 -0.00424 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0.20278 133 7 Cu 1S 0.05091 0.12672 -0.03183 -0.00716 -0.06523 134 2S 0.13351 0.32856 -0.06619 -0.02910 -0.13037 135 3S 0.18581 0.50028 0.26653 -0.81849 0.69011 136 4PX -0.02144 -0.00587 -0.00228 0.02084 -0.01041 137 4PY 0.00630 -0.01832 0.01590 -0.00979 -0.01666 138 4PZ 0.00203 0.01583 0.03158 -0.01006 -0.00982 139 5PX 0.51453 0.21748 -0.08792 -0.33376 -0.09031 140 5PY 0.03130 0.57802 -0.25605 0.23346 0.14595 141 5PZ 0.24857 -0.37793 -0.80298 1.01822 -0.30566 142 6PX -0.19736 -0.12002 0.04696 -0.01738 0.19285 143 6PY 0.17295 -0.08712 0.31747 -0.23916 -0.04826 144 6PZ -0.02114 -0.02824 0.48527 -0.36930 -0.18188 145 7D 0 0.19881 0.13208 -0.12188 0.08455 0.04188 146 7D+1 0.11374 0.11923 0.19398 -0.20720 0.03226 147 7D-1 -0.02526 0.09231 -0.03493 0.00578 0.01066 148 7D+2 -0.05764 0.06796 0.00695 0.08172 0.06192 149 7D-2 0.04255 -0.02119 0.04378 0.10697 -0.04224 150 8D 0 -0.54397 -0.39909 0.32274 -0.28796 -0.08976 151 8D+1 -0.27928 -0.34951 -0.54474 0.58695 -0.10033 152 8D-1 0.07748 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0.09593 0.28366 56 6PZ 0.21011 0.09183 -0.09449 0.14065 -0.08920 57 7D 0 -0.05659 0.04862 0.03111 0.02936 0.01679 58 7D+1 0.01411 -0.00092 -0.00946 0.01756 -0.00467 59 7D-1 0.02490 -0.06981 0.07895 0.02876 0.15911 60 7D+2 0.04329 -0.09157 0.05438 -0.08308 0.05307 61 7D-2 -0.00841 0.02479 -0.02288 -0.02345 -0.06122 62 8D 0 0.14985 -0.14047 -0.10048 -0.08437 -0.04986 63 8D+1 -0.04319 0.01392 0.04466 -0.05009 0.02484 64 8D-1 -0.05771 0.20082 -0.27295 -0.05787 -0.46090 65 8D+2 -0.09052 0.27634 -0.17041 0.25116 -0.15582 66 8D-2 0.03869 -0.06840 0.08852 0.05232 0.17274 67 4 Cu 1S 0.00790 -0.04966 0.08636 -0.07792 0.04043 68 2S -0.01758 -0.12433 0.21257 -0.18314 0.11766 69 3S -1.40095 0.34446 0.25371 0.37697 0.84183 70 4PX 0.01258 0.01222 -0.02549 0.01262 -0.02320 71 4PY 0.00331 -0.00747 -0.00633 -0.01539 0.01916 72 4PZ 0.01239 -0.00639 0.00072 -0.00453 0.00460 73 5PX -1.18393 -0.37263 0.48989 -0.89499 0.55607 74 5PY -0.18632 -0.21153 0.07009 1.06326 -0.25037 75 5PZ -0.28208 0.40228 -0.13336 0.44808 0.16519 76 6PX 0.83702 0.45176 -0.10311 1.04176 -0.63426 77 6PY -0.01944 0.35336 -0.02256 -0.90713 0.53325 78 6PZ -0.35016 -0.39297 0.13417 -0.29981 0.31300 79 7D 0 -0.02450 -0.09667 0.11968 -0.08172 0.04125 80 7D+1 0.24802 -0.01114 -0.09487 0.02051 -0.06322 81 7D-1 0.05668 0.01686 -0.04007 -0.17309 0.06564 82 7D+2 0.11094 0.07745 -0.02444 0.09734 -0.04976 83 7D-2 0.15336 0.01120 0.00989 -0.07982 0.00695 84 8D 0 0.08493 0.30437 -0.34600 0.24635 -0.09223 85 8D+1 -0.72576 0.01011 0.24755 -0.07324 0.18666 86 8D-1 -0.16043 -0.07453 0.11585 0.50622 -0.18263 87 8D+2 -0.33091 -0.19660 0.06704 -0.28275 0.15466 88 8D-2 -0.47026 -0.02563 -0.05498 0.23502 0.00431 89 5 Cu 1S -0.07348 0.04711 -0.02526 -0.03599 -0.00807 90 2S -0.14293 0.11565 -0.05946 -0.09984 -0.02499 91 3S 0.49686 0.08849 0.49898 -0.25229 -0.25811 92 4PX 0.00526 0.00677 -0.01029 -0.01585 -0.00612 93 4PY -0.00194 -0.00044 -0.00198 0.03636 0.01189 94 4PZ -0.00699 0.00345 0.00820 0.01527 -0.00028 95 5PX 0.13354 0.58562 0.21487 0.56567 0.04541 96 5PY 0.41321 0.35579 0.65599 -1.07879 0.36340 97 5PZ -0.14317 -0.30765 -0.33793 -0.48028 0.31304 98 6PX -0.32183 -0.59819 -0.28533 -0.36294 0.01308 99 6PY -0.25533 -0.61416 -0.19039 1.21862 -0.34673 100 6PZ 0.11493 0.12275 0.09866 0.84097 -0.18839 101 7D 0 0.01259 -0.08465 -0.10508 -0.19784 0.03510 102 7D+1 0.03102 0.05965 0.02560 0.04596 0.03971 103 7D-1 0.09338 0.05703 0.23348 -0.16705 -0.02895 104 7D+2 0.02531 0.13169 0.05164 0.00160 0.05564 105 7D-2 0.03816 0.02614 -0.03721 -0.11107 0.01992 106 8D 0 -0.00776 0.27312 0.29900 0.55945 -0.11398 107 8D+1 -0.08836 -0.21234 -0.07437 -0.13656 -0.10892 108 8D-1 -0.31457 -0.17286 -0.70181 0.46874 0.04638 109 8D+2 -0.08609 -0.42470 -0.14888 -0.01018 -0.14752 110 8D-2 -0.08906 -0.08950 0.09428 0.30320 -0.06865 111 6 Cu 1S -0.05780 0.04378 -0.08195 0.00099 -0.00353 112 2S -0.16914 0.11407 -0.20882 -0.02431 -0.05308 113 3S -0.45712 0.29533 -0.26163 -0.51478 -0.77039 114 4PX -0.00690 -0.00070 0.01578 0.00924 0.00675 115 4PY -0.02818 0.01487 -0.00220 -0.01014 -0.00382 116 4PZ -0.02289 0.00944 -0.00417 -0.00594 0.01061 117 5PX -0.19074 -0.42490 -0.36649 0.01287 -0.43305 118 5PY 0.60870 -0.88606 0.29002 0.75330 0.00886 119 5PZ 0.62977 0.02245 0.20812 0.96068 -0.36854 120 6PX -0.07763 0.60029 0.09714 -0.32951 0.28085 121 6PY -0.44982 0.76363 -0.05151 -0.67162 0.49376 122 6PZ -0.93512 0.19740 -0.22245 -1.16475 0.53807 123 7D 0 -0.07918 0.06163 -0.04566 -0.07667 -0.00568 124 7D+1 -0.12648 0.05334 -0.03817 -0.11328 0.05217 125 7D-1 0.08736 0.09466 0.04350 0.06158 -0.07108 126 7D+2 -0.10196 0.23011 0.05642 -0.04500 0.04908 127 7D-2 -0.07119 0.01883 -0.06167 -0.09595 -0.01216 128 8D 0 0.23566 -0.18681 0.14691 0.22587 0.03340 129 8D+1 0.35779 -0.15354 0.13620 0.36414 -0.15236 130 8D-1 -0.22976 -0.30368 -0.09394 -0.19368 0.20551 131 8D+2 0.25374 -0.68868 -0.15511 0.15111 -0.15790 132 8D-2 0.20890 -0.04586 0.17802 0.27217 0.03520 133 7 Cu 1S -0.01675 -0.01779 0.06959 0.02462 0.09828 134 2S -0.03967 -0.03710 0.17947 0.06729 0.21383 135 3S 0.03752 0.30605 0.10758 0.13523 -0.71793 136 4PX -0.01190 -0.03170 -0.00360 -0.00389 0.00049 137 4PY 0.00739 0.03342 -0.00518 -0.00410 0.01546 138 4PZ -0.01247 -0.01515 0.00186 -0.00605 -0.00149 139 5PX -0.03135 1.31990 -0.05669 0.08915 -0.14824 140 5PY 0.01864 -1.25782 0.58284 0.36995 0.25617 141 5PZ 0.26433 0.69614 -0.10278 0.46485 0.30241 142 6PX -0.37308 -1.13773 0.01102 -0.05398 -0.15974 143 6PY 0.12902 0.98114 -0.08123 -0.16086 0.16789 144 6PZ -0.64605 -0.85490 -0.04682 -0.22382 0.12370 145 7D 0 0.07249 0.03399 -0.09244 -0.00595 0.02668 146 7D+1 -0.04066 -0.00496 -0.08635 -0.11637 -0.05762 147 7D-1 0.00082 -0.17421 0.09849 -0.00713 -0.01368 148 7D+2 0.00372 -0.29153 -0.01415 -0.00109 0.05865 149 7D-2 0.06360 0.01023 -0.12003 -0.06478 0.01721 150 8D 0 -0.20133 -0.12509 0.28319 -0.00038 -0.07333 151 8D+1 0.12135 0.01641 0.25572 0.33904 0.18510 152 8D-1 -0.00696 0.50553 -0.28574 0.01669 0.01847 153 8D+2 -0.02204 0.84023 0.03141 0.00161 -0.16228 154 8D-2 -0.17736 -0.03629 0.35269 0.18698 -0.01171 155 8 Cu 1S -0.06144 0.03646 0.01221 0.07043 -0.03051 156 2S -0.15190 0.09042 -0.02246 0.12692 -0.10655 157 3S -0.12855 -0.14098 -0.52366 -0.89711 -0.59036 158 4PX 0.00259 0.00822 -0.00619 -0.01637 -0.00606 159 4PY 0.00050 -0.00617 0.01290 0.00388 -0.01254 160 4PZ -0.00920 0.00553 -0.01360 -0.00546 0.00907 161 5PX 0.45876 -0.37929 0.06807 0.72805 -0.42805 162 5PY -0.06353 0.16791 -0.01122 -0.44096 0.41754 163 5PZ 0.03918 -0.10642 0.31142 0.70816 0.13950 164 6PX -0.73954 0.50335 -0.17537 -1.05105 0.40598 165 6PY 0.25351 -0.31382 0.29528 0.75793 -0.21932 166 6PZ -0.04003 0.20950 -0.06765 -0.59718 0.13778 167 7D 0 0.00654 -0.03430 0.10795 0.09299 -0.04699 168 7D+1 0.09698 -0.08644 -0.01130 0.12627 -0.01528 169 7D-1 -0.01168 0.02520 0.03130 0.01908 0.04572 170 7D+2 0.03963 -0.01623 0.06045 0.10015 -0.05903 171 7D-2 0.01598 -0.03938 0.04466 0.10504 -0.04995 172 8D 0 -0.00586 0.08868 -0.30913 -0.29039 0.09263 173 8D+1 -0.33639 0.27044 0.03831 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-0.04273 0.04031 -0.02483 -0.02419 -0.17394 194 5PZ 0.01265 -0.03121 0.08348 -0.06456 -0.06165 186 187 188 189 190 V V V V V EIGENVALUES -- 1.61211 1.62791 1.85521 1.87851 1.99217 1 1 Cu 1S -0.06088 -0.12848 0.28544 -0.25523 -0.81312 2 2S -0.16151 -0.41348 0.70542 -0.57378 -1.70631 3 3S 0.92582 -1.75456 1.05309 -1.46262 0.73548 4 4PX -0.00159 -0.01735 0.02684 -0.01305 -0.02890 5 4PY -0.00388 -0.03047 0.01686 -0.02031 0.00240 6 4PZ 0.00495 -0.00001 -0.02262 0.00592 -0.00084 7 5PX -0.07151 -0.10040 -0.67988 0.17270 0.45939 8 5PY -0.04068 1.11512 -0.34788 0.66737 -0.15844 9 5PZ -0.00720 0.40145 0.80115 0.06355 -0.32312 10 6PX -0.38673 1.44781 0.26008 0.18754 -0.89716 11 6PY 0.37780 0.14419 -0.99010 -0.19919 0.37014 12 6PZ 0.76077 -1.47092 -1.71215 0.33302 -0.21177 13 7D 0 -0.00759 0.10848 -0.06548 -0.00533 0.05079 14 7D+1 -0.02928 -0.07571 0.02591 0.06715 -0.03802 15 7D-1 0.01899 0.04500 -0.03187 -0.06234 0.09099 16 7D+2 -0.03048 -0.04636 0.01163 -0.01670 0.03007 17 7D-2 -0.01337 -0.05240 -0.01624 -0.00649 -0.02257 18 8D 0 0.01135 -0.36440 0.25044 0.00192 -0.24226 19 8D+1 0.10157 0.25553 -0.08816 -0.24733 0.17827 20 8D-1 -0.05706 -0.15518 0.12321 0.21493 -0.36363 21 8D+2 0.09049 0.15964 -0.04766 0.05812 -0.09582 22 8D-2 0.05308 0.18288 0.04219 0.04297 0.10258 23 2 Cu 1S 0.30140 -0.05951 0.00850 -0.00599 0.11023 24 2S 0.68081 -0.14269 -0.00843 0.00246 0.18649 25 3S -1.75789 1.61983 -0.21507 0.71975 -0.47880 26 4PX 0.00409 0.01435 0.00078 -0.00655 -0.01112 27 4PY 0.00903 0.00255 -0.03218 -0.00072 -0.01367 28 4PZ -0.01598 -0.02188 0.00982 0.02492 -0.00440 29 5PX 0.04031 -0.67773 0.26927 -0.14293 0.20642 30 5PY -0.84220 0.81214 0.34380 0.40198 -0.14938 31 5PZ 0.37436 0.86048 -0.44005 -0.54777 0.13283 32 6PX 0.16429 -0.06499 -0.73338 -0.30262 -0.76832 33 6PY -0.74000 -0.02559 0.00274 -0.03544 -0.23058 34 6PZ -0.28190 0.44063 0.28730 0.31560 0.26484 35 7D 0 0.03280 0.03810 -0.04812 0.03881 -0.01923 36 7D+1 0.00655 -0.00845 -0.03253 0.03629 -0.00176 37 7D-1 -0.06286 -0.04837 0.04121 0.02361 -0.01251 38 7D+2 0.05638 -0.02324 -0.01454 0.01905 0.03186 39 7D-2 0.05340 0.03190 -0.02633 0.00724 -0.02018 40 8D 0 -0.13347 -0.12096 0.17381 -0.14400 0.05746 41 8D+1 -0.02441 0.02449 0.12128 -0.12796 0.00960 42 8D-1 0.21791 0.15372 -0.14761 -0.07505 0.05277 43 8D+2 -0.21930 0.08660 0.04863 -0.06925 -0.10530 44 8D-2 -0.18727 -0.09160 0.09694 -0.02899 0.05648 45 3 Cu 1S 0.14223 0.87368 -0.28402 -0.39301 -0.17677 46 2S 0.30060 1.79412 -0.56918 -0.76050 -0.25545 47 3S 0.45286 -1.55473 0.07227 1.82504 1.65497 48 4PX 0.00626 0.00794 0.00899 0.00472 0.01213 49 4PY -0.00085 0.00358 0.00453 -0.00206 -0.00484 50 4PZ -0.00170 -0.00703 -0.00736 -0.01458 -0.01483 51 5PX -0.15820 -0.39204 0.09190 0.03396 -0.30904 52 5PY -0.15158 0.00702 0.20721 0.22854 0.11844 53 5PZ 0.34494 0.94688 -0.06527 0.10416 0.44053 54 6PX 0.24498 -0.11883 -0.21191 -0.27901 0.35924 55 6PY 0.09967 -0.53285 -0.51930 -0.09879 -0.44331 56 6PZ -0.04738 -0.78021 -0.33854 0.13680 0.35378 57 7D 0 -0.01086 -0.05454 0.03500 -0.02124 -0.06854 58 7D+1 0.03287 0.09019 -0.00808 -0.00929 0.05349 59 7D-1 0.00700 0.00458 -0.01625 -0.02236 -0.05734 60 7D+2 -0.03166 -0.01473 -0.01197 0.00670 0.02494 61 7D-2 -0.00542 0.00822 0.00194 0.01511 0.03161 62 8D 0 0.05116 0.20756 -0.11856 0.05589 0.24781 63 8D+1 -0.11105 -0.30320 0.04229 0.04432 -0.19345 64 8D-1 -0.03014 0.01271 0.05403 0.06663 0.20651 65 8D+2 0.08219 0.03130 0.02737 -0.01331 -0.07994 66 8D-2 0.01882 -0.03551 -0.00749 -0.04849 -0.10857 67 4 Cu 1S -0.43708 -0.40264 -0.80129 0.40489 0.64383 68 2S -0.92481 -0.86487 -1.65136 0.82619 1.22233 69 3S 1.82265 2.34965 0.99739 -0.28579 -1.82268 70 4PX 0.00029 -0.00097 -0.00591 -0.00953 -0.00935 71 4PY 0.00577 0.01651 0.00743 -0.00204 0.01242 72 4PZ 0.01215 0.01055 0.02580 -0.00532 0.02691 73 5PX 0.04043 0.00068 -0.09039 0.17121 0.06065 74 5PY -0.31500 -0.20057 -0.03217 0.21264 -0.16588 75 5PZ -0.30620 -0.18688 -1.23779 0.63433 0.16845 76 6PX 0.11740 -0.57429 -0.73448 -0.18980 0.06674 77 6PY 0.36583 0.46527 0.01531 -0.30085 0.17634 78 6PZ 0.25871 0.58033 1.41966 0.24318 -0.32412 79 7D 0 0.02117 0.00631 0.11277 -0.05154 0.01268 80 7D+1 -0.00792 -0.03758 0.01641 -0.02447 -0.03489 81 7D-1 0.05575 0.05450 0.01453 0.00743 -0.00190 82 7D+2 -0.01203 0.01141 -0.01913 -0.03880 -0.03232 83 7D-2 -0.00687 -0.00716 -0.01549 -0.02441 -0.02772 84 8D 0 -0.07459 -0.02883 -0.39910 0.18092 -0.01635 85 8D+1 0.03898 0.12608 -0.05530 0.08261 0.12053 86 8D-1 -0.17275 -0.16175 -0.03568 -0.01245 0.00652 87 8D+2 0.03323 -0.04041 0.06437 0.12388 0.09781 88 8D-2 0.01310 0.02833 0.04782 0.07739 0.08782 89 5 Cu 1S -0.19115 0.45185 -0.33975 0.88650 -0.63350 90 2S -0.39445 0.92271 -0.70198 1.82503 -1.23095 91 3S 1.16731 0.18498 -0.72490 -0.80907 2.56524 92 4PX 0.00186 -0.00416 -0.00748 0.01707 0.00716 93 4PY -0.00531 0.00345 0.00122 -0.00925 -0.01274 94 4PZ -0.00159 0.01122 -0.00880 0.02219 0.00943 95 5PX -0.03220 -0.33568 0.26376 -0.87050 0.18462 96 5PY 0.22257 0.38868 -0.43129 0.20336 -0.03682 97 5PZ 0.02024 -0.38353 0.61668 -1.19263 -0.10393 98 6PX -0.01910 0.06413 0.37526 0.46249 0.09850 99 6PY 0.03495 0.45597 -0.00175 0.10078 -0.12431 100 6PZ -0.26819 0.22247 -0.21230 0.60510 -0.19119 101 7D 0 0.01563 -0.02320 0.04115 -0.03609 -0.02962 102 7D+1 0.00094 -0.03410 0.04409 -0.09681 0.02749 103 7D-1 0.03328 0.04531 -0.03025 0.03934 0.04227 104 7D+2 -0.01439 -0.02590 0.02737 -0.02743 0.03931 105 7D-2 0.00818 0.00572 0.00191 0.04093 0.00452 106 8D 0 -0.04213 0.06346 -0.13873 0.13315 0.10333 107 8D+1 -0.00579 0.11957 -0.15176 0.33428 -0.10205 108 8D-1 -0.10416 -0.15904 0.11272 -0.13608 -0.13759 109 8D+2 0.04396 0.09721 -0.07300 0.10251 -0.12409 110 8D-2 -0.02349 -0.01882 -0.00117 -0.13056 -0.00411 111 6 Cu 1S 0.49382 0.48205 0.52830 0.60231 0.69654 112 2S 1.01986 0.96448 1.10071 1.25445 1.32264 113 3S -1.85330 -0.48915 -1.99906 -0.33126 -2.49150 114 4PX -0.00054 -0.00187 -0.00771 -0.02090 0.01493 115 4PY 0.00914 0.00809 0.00354 0.00980 -0.02630 116 4PZ 0.00296 0.01076 -0.00760 -0.01853 -0.00400 117 5PX 0.18670 0.22171 0.17894 0.76861 -0.05337 118 5PY -0.18387 -0.26757 -0.31644 -0.50149 -0.07994 119 5PZ 0.02276 -0.14048 0.21314 0.90476 -0.11642 120 6PX -0.19581 0.04381 -0.12347 -0.23613 -0.13952 121 6PY 0.38027 0.67387 0.44799 -0.21127 -0.19637 122 6PZ 0.14076 0.69113 -0.10736 -0.97559 -0.44950 123 7D 0 -0.00799 -0.00156 -0.02821 -0.00969 0.01233 124 7D+1 -0.00474 0.01901 -0.04709 -0.11510 0.00698 125 7D-1 -0.03418 -0.04031 -0.04315 0.04974 -0.00270 126 7D+2 0.03059 0.03450 0.01217 -0.01658 -0.03710 127 7D-2 0.03812 0.04226 0.00963 0.04588 0.00447 128 8D 0 0.03702 0.01901 0.09878 0.04066 -0.04931 129 8D+1 0.02942 -0.04999 0.16397 0.39444 -0.02361 130 8D-1 0.11388 0.13376 0.14252 -0.16406 0.00766 131 8D+2 -0.08928 -0.10899 -0.05020 0.05223 0.10771 132 8D-2 -0.11254 -0.13253 -0.02933 -0.15164 -0.02719 133 7 Cu 1S -0.12065 -0.07510 0.44048 -0.42975 0.53960 134 2S -0.23928 -0.20110 0.92566 -0.98618 0.99151 135 3S 1.06755 -0.47689 -1.06409 -1.61196 -2.03319 136 4PX 0.00000 0.01812 -0.01452 0.03416 0.00190 137 4PY -0.00935 0.00915 0.01175 0.02871 0.02764 138 4PZ -0.00168 0.00131 0.01898 -0.01321 -0.02753 139 5PX 0.07094 -0.68214 0.39399 -1.01900 0.19955 140 5PY 0.19488 0.24778 -0.46930 -0.82011 -0.42903 141 5PZ -0.08832 -0.02555 -0.71642 0.29093 0.23931 142 6PX 0.07259 -0.02316 0.05930 0.19188 -0.98538 143 6PY 0.18399 0.00535 0.76019 0.24063 0.39299 144 6PZ -0.14258 0.60988 1.24620 0.48472 -0.40125 145 7D 0 -0.05621 -0.06998 -0.10989 -0.00928 0.03549 146 7D+1 -0.02002 0.03446 0.01891 0.04288 -0.03364 147 7D-1 0.00683 0.01317 0.01223 -0.04438 -0.01626 148 7D+2 -0.01154 0.04191 -0.06959 0.03120 -0.06865 149 7D-2 -0.03700 -0.02163 0.03612 0.01780 -0.00511 150 8D 0 0.17642 0.22283 0.39288 0.01970 -0.11833 151 8D+1 0.05499 -0.10473 -0.04735 -0.16395 0.10988 152 8D-1 -0.02289 -0.05007 -0.03569 0.15635 0.04000 153 8D+2 0.03881 -0.14186 0.23236 -0.11452 0.24124 154 8D-2 0.11835 0.08613 -0.12616 -0.03975 0.01613 155 8 Cu 1S 0.11226 0.36606 -0.73325 -0.68086 0.16679 156 2S 0.18737 0.69800 -1.43605 -1.36095 0.42370 157 3S -1.63491 -1.10484 2.35914 1.82882 1.52076 158 4PX -0.00666 -0.00494 -0.00289 -0.00961 -0.01015 159 4PY -0.00877 -0.01897 0.01195 0.00117 0.02613 160 4PZ -0.01498 -0.02544 -0.00207 -0.00321 0.01293 161 5PX 0.11940 -0.00779 -0.00515 0.33171 0.25453 162 5PY 0.29908 0.20945 -0.05044 0.03070 -0.72222 163 5PZ 0.27258 0.22221 0.75618 0.63668 -0.87562 164 6PX -0.22559 0.11036 0.38524 -0.53705 -0.46318 165 6PY 0.03391 -0.02706 -0.04448 0.05370 0.25089 166 6PZ 0.09394 0.02429 -0.74753 -0.77688 -0.03024 167 7D 0 0.01317 0.00174 0.09586 0.04061 -0.04490 168 7D+1 0.06719 0.05127 0.02165 0.07494 0.09064 169 7D-1 0.01656 -0.01566 0.05234 0.01631 -0.08623 170 7D+2 0.01827 0.00533 0.04590 0.01285 0.04209 171 7D-2 0.01476 -0.00280 -0.03154 -0.01937 0.05127 172 8D 0 -0.03267 0.02208 -0.33218 -0.16126 0.17834 173 8D+1 -0.20220 -0.16610 -0.06228 -0.25296 -0.31830 174 8D-1 -0.04269 0.08281 -0.19883 -0.05746 0.31326 175 8D+2 -0.04926 -0.01528 -0.14511 -0.05887 -0.13663 176 8D-2 -0.04498 -0.00384 0.10235 0.07788 -0.17618 177 9 C 1S -0.01938 0.01136 0.00193 0.00071 0.00351 178 2S -0.06259 -0.13004 0.07824 -0.03155 0.01243 179 3S -2.24153 1.47304 0.77292 -0.04495 0.28227 180 4PX -0.05917 0.02014 -0.00422 0.00606 0.04115 181 4PY 0.20745 -0.21662 0.00087 -0.02278 -0.05252 182 4PZ 0.05002 0.00245 -0.02657 -0.05486 0.01383 183 5PX 0.07654 0.17015 0.04269 -0.05306 -0.06804 184 5PY 0.51517 0.00514 -0.54012 0.05535 -0.36076 185 5PZ -0.18149 -0.25189 0.17391 0.38574 -0.17616 186 10 O 1S 0.07171 -0.03255 -0.02260 0.00472 -0.00871 187 2S -1.59749 0.75492 0.60149 -0.10784 0.28388 188 3S 2.93732 -1.44815 -1.21671 0.19739 -0.63097 189 4PX 0.04890 0.03815 -0.01158 -0.00763 -0.03360 190 4PY -0.05537 0.00923 0.00584 -0.01485 -0.02243 191 4PZ -0.04007 -0.02567 0.03683 0.05528 -0.02828 192 5PX -0.32770 -0.00937 0.10128 0.02064 0.13465 193 5PY 0.94767 -0.49650 -0.27332 0.06458 -0.09597 194 5PZ 0.26128 0.03126 -0.17018 -0.18941 0.06440 191 192 193 194 V V V V EIGENVALUES -- 2.05914 3.09999 4.17435 10.44262 1 1 Cu 1S -0.45156 -0.67510 -1.18482 -1.51314 2 2S -0.90097 -1.24920 -2.03140 -2.40938 3 3S 1.55968 2.72924 6.59375 3.52748 4 4PX 0.02095 -0.00631 0.07695 0.03772 5 4PY -0.02200 0.03970 0.00149 0.07808 6 4PZ -0.01678 0.09421 -0.06894 -0.00399 7 5PX -0.52192 0.75945 -1.28717 -0.74186 8 5PY -0.13944 -1.57891 -0.09500 1.10015 9 5PZ 0.40075 -3.01117 1.91298 0.56794 10 6PX 1.69714 -2.68932 -1.71026 -1.09993 11 6PY -2.91275 1.30962 -1.65985 -1.18316 12 6PZ -3.40115 5.28108 -1.05538 2.68599 13 7D 0 0.07609 0.01781 0.00903 -0.00319 14 7D+1 -0.03329 -0.04088 0.00487 -0.00385 15 7D-1 0.02507 -0.03678 0.03392 0.00612 16 7D+2 -0.02332 -0.00276 -0.02866 -0.00403 17 7D-2 -0.01014 -0.02116 0.00534 -0.01209 18 8D 0 -0.31483 -0.10275 -0.07088 0.05222 19 8D+1 0.16039 0.18453 -0.00596 0.02273 20 8D-1 -0.12906 0.13279 -0.16099 -0.04878 21 8D+2 0.07326 -0.00335 0.10105 0.08296 22 8D-2 0.05229 0.09384 -0.01646 0.04650 23 2 Cu 1S -0.20905 0.51888 1.03064 -3.19798 24 2S -0.43254 0.89050 1.79523 -5.16402 25 3S -0.15157 -3.13677 -5.09406 8.55071 26 4PX -0.02741 0.00490 0.01629 0.03407 27 4PY 0.05205 -0.03929 -0.02870 -0.05800 28 4PZ 0.03932 0.02333 -0.02374 -0.01220 29 5PX 0.46136 0.51450 0.37391 -2.57543 30 5PY -0.84702 -1.76907 -1.87574 6.90721 31 5PZ -0.64200 -0.92447 0.17660 1.69190 32 6PX -0.51400 0.87565 -0.10178 0.01016 33 6PY -0.30036 0.46121 0.51884 -0.76420 34 6PZ 0.70681 -1.36404 0.23867 -1.12136 35 7D 0 0.03110 -0.00602 0.01368 -0.04655 36 7D+1 -0.02543 0.01201 -0.00103 -0.00773 37 7D-1 0.01582 0.01761 -0.02992 0.02956 38 7D+2 0.06016 -0.00518 0.01779 -0.05426 39 7D-2 -0.01345 0.01054 0.01467 -0.02509 40 8D 0 -0.11278 0.00497 -0.09721 0.32394 41 8D+1 0.10131 -0.05090 -0.00380 0.05937 42 8D-1 -0.04700 -0.03823 0.15391 -0.21624 43 8D+2 -0.21480 -0.00819 -0.13388 0.42797 44 8D-2 0.03989 -0.07079 -0.09304 0.22808 45 3 Cu 1S 0.25045 -1.22861 0.57204 -0.30432 46 2S 0.54393 -2.18780 1.09780 -0.41104 47 3S -1.03882 2.61011 -1.24482 -0.51057 48 4PX 0.01029 0.01844 -0.00095 0.02208 49 4PY -0.00130 0.00568 0.01536 0.00756 50 4PZ -0.01515 -0.03223 0.00530 -0.01723 51 5PX -0.30022 0.26085 -0.30569 -0.11356 52 5PY 0.27155 -0.54309 -0.05575 0.18928 53 5PZ 0.70488 -0.70610 0.95558 -0.16334 54 6PX -0.72633 0.69084 0.55980 0.46522 55 6PY -0.45999 1.43598 0.00892 1.29815 56 6PZ -0.94634 0.45379 -0.10389 -0.39345 57 7D 0 -0.08108 0.01278 -0.04703 0.00541 58 7D+1 0.06166 -0.00762 0.03484 0.00961 59 7D-1 -0.04832 0.01104 -0.05289 -0.00846 60 7D+2 -0.01791 -0.02615 0.00593 0.01825 61 7D-2 0.00942 -0.00442 0.00434 -0.00327 62 8D 0 0.29509 -0.06358 0.21955 -0.04255 63 8D+1 -0.22549 0.04648 -0.16312 -0.02581 64 8D-1 0.18587 -0.05897 0.22291 0.05483 65 8D+2 0.05615 0.10095 -0.02204 -0.09565 66 8D-2 -0.03860 0.02533 -0.02248 0.00075 67 4 Cu 1S -0.13585 -0.91690 -0.33987 -0.90787 68 2S -0.30677 -1.65627 -0.53896 -1.45074 69 3S -0.21841 1.97204 0.66903 -0.43574 70 4PX -0.00100 -0.02809 -0.00306 -0.03733 71 4PY -0.01202 -0.01737 -0.01281 0.01344 72 4PZ 0.01518 -0.02184 -0.02326 -0.03253 73 5PX -0.00073 0.00682 0.11839 -0.70799 74 5PY 0.12914 -0.14322 0.00698 0.57453 75 5PZ -0.45295 -0.32625 0.48797 -0.35063 76 6PX -1.36874 0.67608 0.99349 -0.23025 77 6PY -0.56476 -0.25425 -1.09665 0.77057 78 6PZ 1.38315 -0.37714 -0.00472 -0.04284 79 7D 0 0.06537 0.00353 -0.01747 -0.00146 80 7D+1 -0.02346 0.01751 -0.00815 0.01181 81 7D-1 -0.05040 -0.00344 -0.02078 -0.00922 82 7D+2 0.00576 -0.01669 0.00606 0.00455 83 7D-2 0.00646 0.00448 -0.00261 -0.00064 84 8D 0 -0.23807 -0.01871 0.06898 0.00441 85 8D+1 0.09345 -0.07683 0.04926 -0.09577 86 8D-1 0.17187 -0.00299 0.07714 0.06480 87 8D+2 -0.02532 0.05142 -0.02086 -0.03959 88 8D-2 -0.03202 -0.03434 0.00988 0.02972 89 5 Cu 1S 0.61205 0.55304 -0.58903 -0.66570 90 2S 1.14895 1.01127 -1.00175 -1.04286 91 3S -2.78726 -1.92624 -0.03445 -2.30108 92 4PX -0.01681 -0.00437 0.01612 0.01466 93 4PY -0.00514 0.01269 -0.02353 0.01150 94 4PZ -0.02213 -0.02224 0.01671 0.03396 95 5PX 0.15920 0.06689 -0.12328 -0.06286 96 5PY -0.55241 -0.11020 -0.13268 0.12800 97 5PZ -0.10294 -0.51184 0.18566 0.93172 98 6PX 0.16893 0.21287 0.29299 -0.29466 99 6PY 0.32130 -1.20090 -0.34971 0.10764 100 6PZ 0.49248 -0.65214 -0.40365 0.69763 101 7D 0 -0.04280 -0.01813 0.01082 0.01433 102 7D+1 0.03370 -0.00709 -0.00719 -0.00401 103 7D-1 -0.00375 0.03217 0.00979 -0.00768 104 7D+2 0.03231 0.01332 -0.01140 0.00950 105 7D-2 -0.01348 -0.01011 0.01421 0.00322 106 8D 0 0.15675 0.09243 -0.04097 -0.11184 107 8D+1 -0.09487 0.03871 0.02572 0.00220 108 8D-1 0.02571 -0.14118 -0.02396 0.01995 109 8D+2 -0.08118 -0.05749 0.06163 -0.04276 110 8D-2 0.05561 0.04273 -0.04518 -0.01706 111 6 Cu 1S -0.57863 -0.22627 -0.80886 -0.07096 112 2S -1.11928 -0.39727 -1.36537 -0.09517 113 3S 1.42080 -1.01350 -0.08383 -1.80221 114 4PX -0.01187 0.00785 -0.03144 -0.00062 115 4PY -0.00535 0.01433 0.02849 -0.00100 116 4PZ -0.01006 -0.00007 -0.01660 -0.00301 117 5PX -0.36205 -0.13027 -0.32433 -0.24222 118 5PY 0.05554 -0.08291 0.12870 0.14685 119 5PZ -0.24958 -0.29742 0.26367 0.11344 120 6PX 0.37684 -0.40001 -0.70837 0.24011 121 6PY 0.19927 0.17188 -0.00368 0.14571 122 6PZ -0.07375 -0.20996 -0.42586 0.06523 123 7D 0 -0.01640 0.02026 -0.01147 0.00346 124 7D+1 0.00507 0.02206 -0.01784 -0.00515 125 7D-1 -0.02645 -0.01826 0.00322 -0.00265 126 7D+2 -0.03305 0.00104 0.01159 0.00533 127 7D-2 -0.02358 0.01913 0.00376 0.00882 128 8D 0 0.05299 -0.08573 0.05582 -0.01735 129 8D+1 -0.04368 -0.09218 0.06365 0.02181 130 8D-1 0.08267 0.07062 -0.01688 0.01219 131 8D+2 0.08718 0.00976 -0.05417 -0.03076 132 8D-2 0.08694 -0.07359 0.00683 -0.04595 133 7 Cu 1S 1.02817 -0.00026 -0.96902 -1.10351 134 2S 1.96774 0.02719 -1.71186 -1.76144 135 3S -3.47507 1.36666 1.54332 -0.78898 136 4PX 0.02476 0.00283 -0.02525 -0.05568 137 4PY 0.00934 -0.01545 -0.03878 0.00273 138 4PZ 0.01266 0.01341 0.01449 0.02953 139 5PX 0.00990 0.42242 -0.10745 -0.86244 140 5PY -0.54780 0.13847 -0.09663 0.46402 141 5PZ -0.86504 -0.59740 0.02667 0.53169 142 6PX -0.12774 0.74787 0.72151 -0.19468 143 6PY 0.48689 -0.98091 0.17448 0.86011 144 6PZ 2.10267 -0.54571 0.25847 -0.02808 145 7D 0 -0.04927 -0.01349 -0.01018 -0.00541 146 7D+1 0.05799 0.01678 -0.01779 -0.00963 147 7D-1 0.04095 0.02433 0.00940 0.00084 148 7D+2 0.00023 0.01610 0.00977 0.00384 149 7D-2 0.06595 -0.01634 0.00356 0.00343 150 8D 0 0.18331 0.04903 0.04503 0.03617 151 8D+1 -0.20437 -0.07862 0.06902 0.09158 152 8D-1 -0.14456 -0.10068 -0.03258 -0.01288 153 8D+2 0.01312 -0.04682 -0.03185 -0.05503 154 8D-2 -0.24153 0.06238 -0.02986 -0.00163 155 8 Cu 1S -0.43654 0.86767 -1.01425 -0.03280 156 2S -0.68333 1.64704 -1.70759 -0.01944 157 3S 4.84983 -1.37482 0.48697 -2.15810 158 4PX 0.00896 0.00837 0.00385 0.00116 159 4PY 0.02995 -0.00139 0.03350 0.00188 160 4PZ 0.03322 0.00158 0.03650 -0.00118 161 5PX -0.18662 0.43400 -0.34109 -0.10636 162 5PY -0.86026 -0.51926 0.20184 0.02463 163 5PZ -0.66849 -1.39831 0.40478 0.27936 164 6PX 0.93660 -0.50101 0.63475 0.01792 165 6PY 0.16780 -0.74220 0.56927 0.32296 166 6PZ -0.81341 0.77885 0.24643 -0.45533 167 7D 0 -0.03322 -0.07195 -0.01152 -0.00550 168 7D+1 -0.01365 0.04253 -0.01119 0.00624 169 7D-1 -0.05854 -0.05157 -0.00179 -0.01536 170 7D+2 0.00618 -0.01523 0.00406 0.00052 171 7D-2 -0.01261 0.03127 0.01293 0.01271 172 8D 0 0.11747 0.30080 0.03699 0.01919 173 8D+1 0.03230 -0.18060 0.04670 -0.02829 174 8D-1 0.19975 0.22333 -0.01221 0.07369 175 8D+2 -0.02118 0.06298 -0.00832 -0.00709 176 8D-2 0.02845 -0.13320 -0.04295 -0.05933 177 9 C 1S 0.00211 0.00781 0.01141 -0.05184 178 2S -0.02505 0.30099 0.26847 -1.03002 179 3S -1.16540 -0.72245 -0.57292 4.73448 180 4PX 0.03329 -0.00928 -0.00426 -0.08040 181 4PY 0.01586 0.01271 -0.07536 0.11627 182 4PZ -0.03948 -0.04802 0.01395 0.02695 183 5PX -0.23230 0.40486 0.65098 -0.96158 184 5PY 0.48021 -1.45323 -1.71526 4.23935 185 5PZ 0.31348 0.11290 -0.61538 0.94736 186 10 O 1S 0.01899 -0.00441 0.00038 -0.01062 187 2S -0.60072 0.39966 0.44701 -0.49327 188 3S 1.31966 -1.06474 -1.35867 1.72527 189 4PX -0.02878 0.03013 0.04531 -0.04464 190 4PY -0.01059 -0.05619 -0.06275 0.18511 191 4PZ 0.04083 0.04065 -0.05118 0.04673 192 5PX 0.01639 -0.06692 -0.12344 0.14313 193 5PY 0.33330 0.03268 -0.05711 -0.52127 194 5PZ -0.09141 -0.17857 0.17069 -0.19472 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 2.00543 2 2S 0.00956 0.29830 3 3S 0.04427 0.00033 0.80774 4 4PX 0.00323 0.00916 -0.08883 1.99720 5 4PY 0.00303 0.01516 -0.12261 -0.00228 1.99878 6 4PZ -0.00076 -0.00268 0.00104 -0.00079 0.00197 7 5PX -0.00712 -0.00995 -0.12759 0.03431 0.01569 8 5PY -0.00591 -0.02197 -0.07051 0.01626 0.04245 9 5PZ 0.00096 0.00184 0.03591 0.00168 -0.00371 10 6PX -0.01037 0.07527 -0.09354 -0.02560 0.03346 11 6PY -0.00843 0.06148 -0.04878 0.02545 -0.01987 12 6PZ 0.00526 -0.05727 0.10395 -0.00352 -0.00527 13 7D 0 0.00000 -0.03012 -0.15779 0.00318 -0.00074 14 7D+1 -0.00049 0.01974 0.10126 0.00053 -0.00163 15 7D-1 -0.00053 -0.02565 -0.15320 0.00026 0.00254 16 7D+2 0.00078 0.01207 0.08587 -0.00401 0.00416 17 7D-2 0.00040 0.01969 0.22401 -0.00064 -0.00525 18 8D 0 -0.00136 -0.00836 -0.05632 0.00140 0.00118 19 8D+1 0.00011 0.00482 0.03388 0.00084 -0.00006 20 8D-1 -0.00097 -0.00625 -0.05371 0.00036 0.00042 21 8D+2 0.00050 0.00287 0.02928 -0.00142 0.00251 22 8D-2 0.00104 0.00735 0.07565 -0.00131 -0.00235 23 2 Cu 1S -0.00386 -0.00630 -0.00930 -0.00059 0.00201 24 2S -0.00932 0.06448 -0.16185 -0.00574 0.03536 25 3S -0.00809 0.00915 -0.25483 0.01369 0.03718 26 4PX -0.00038 -0.00831 0.00221 0.00310 0.00358 27 4PY -0.00189 -0.03625 0.00614 0.00095 -0.00482 28 4PZ 0.00019 0.00401 0.00112 -0.00022 -0.00254 29 5PX 0.00050 0.04845 0.07352 -0.01240 -0.01286 30 5PY -0.00624 0.03630 -0.19935 0.00609 0.05246 31 5PZ -0.00001 -0.02626 -0.03098 0.00120 0.01527 32 6PX -0.00073 -0.02990 0.03141 0.00910 -0.00246 33 6PY -0.00251 0.00763 -0.04627 0.00664 0.00309 34 6PZ -0.00101 0.04147 -0.03988 -0.00283 -0.00511 35 7D 0 -0.00030 -0.04971 -0.06868 0.00373 -0.01643 36 7D+1 0.00035 0.00815 0.00079 -0.00169 -0.00066 37 7D-1 0.00055 0.01976 0.03385 -0.00085 0.01040 38 7D+2 0.00045 -0.05316 -0.12765 0.00005 -0.02634 39 7D-2 0.00150 0.00038 0.04033 -0.00889 -0.00277 40 8D 0 0.00001 -0.01710 -0.02432 0.00111 -0.00291 41 8D+1 0.00009 0.00121 0.00111 -0.00052 0.00006 42 8D-1 0.00031 0.00783 0.01254 -0.00038 0.00218 43 8D+2 0.00032 -0.01933 -0.04206 -0.00041 -0.00410 44 8D-2 0.00051 -0.00240 0.01482 -0.00358 -0.00040 45 3 Cu 1S -0.00228 -0.00565 -0.00387 -0.00097 0.00228 46 2S -0.00333 0.18540 -0.16976 -0.01936 0.01912 47 3S -0.00223 0.08076 -0.16290 -0.00056 0.00828 48 4PX 0.00106 0.00835 -0.00039 0.00112 0.00129 49 4PY 0.00146 0.00126 -0.03760 -0.00152 0.00127 50 4PZ -0.00042 -0.01506 -0.06504 -0.00087 -0.00163 51 5PX 0.00010 -0.00054 0.04457 -0.00711 -0.00218 52 5PY -0.00110 0.01685 -0.00616 0.00337 -0.00084 53 5PZ 0.00010 0.02768 -0.04231 0.00124 0.00801 54 6PX 0.00392 -0.01111 0.03716 0.00519 -0.01044 55 6PY 0.00311 -0.05182 0.02767 0.00383 0.00220 56 6PZ -0.00115 -0.01766 -0.03061 0.00736 -0.00194 57 7D 0 0.00226 0.05014 0.16372 -0.01619 0.01712 58 7D+1 -0.00002 -0.03278 -0.15639 -0.00571 -0.00908 59 7D-1 0.00373 0.06369 0.16223 -0.01353 -0.00320 60 7D+2 -0.00159 -0.01311 0.00295 0.00597 0.00348 61 7D-2 -0.00056 -0.02221 -0.07977 -0.00282 -0.00102 62 8D 0 0.00190 0.01828 0.05671 -0.00415 0.00476 63 8D+1 -0.00085 -0.01315 -0.05193 -0.00393 -0.00192 64 8D-1 0.00223 0.02167 0.05693 -0.00322 -0.00236 65 8D+2 -0.00068 -0.00377 -0.00127 0.00202 0.00154 66 8D-2 -0.00039 -0.00723 -0.02724 -0.00228 0.00001 67 4 Cu 1S -0.00353 -0.01111 0.00211 0.00334 0.00212 68 2S -0.01037 0.05398 -0.13293 0.02914 0.02019 69 3S -0.00264 -0.04379 0.00018 0.01542 0.01087 70 4PX -0.00266 -0.02767 -0.00801 0.00397 -0.00208 71 4PY -0.00101 -0.00961 -0.00072 -0.00040 0.00358 72 4PZ -0.00115 -0.00714 -0.03520 -0.00243 -0.00130 73 5PX -0.00300 0.04801 -0.02054 -0.00392 0.00846 74 5PY -0.00099 0.02174 0.00789 0.00726 -0.00352 75 5PZ -0.00181 -0.00515 -0.00151 0.00910 0.00605 76 6PX 0.00238 -0.01911 0.02009 0.00349 -0.01037 77 6PY -0.00239 0.00036 -0.02736 -0.00666 0.00944 78 6PZ -0.00107 0.00993 -0.02649 -0.00594 0.00664 79 7D 0 0.00042 0.00116 0.03883 0.00430 0.00261 80 7D+1 0.00086 0.04701 0.24682 0.01920 0.01147 81 7D-1 0.00135 0.02185 0.21292 0.01367 0.00621 82 7D+2 -0.00089 -0.00697 0.07423 0.00176 0.00930 83 7D-2 0.00169 0.04376 0.20402 0.01182 -0.00049 84 8D 0 0.00031 0.00091 0.01389 0.00183 0.00118 85 8D+1 0.00039 0.01606 0.08600 0.00412 0.00308 86 8D-1 0.00062 0.00760 0.07097 0.00362 0.00145 87 8D+2 -0.00035 -0.00199 0.02324 -0.00120 0.00332 88 8D-2 0.00056 0.01479 0.06834 0.00252 -0.00075 89 5 Cu 1S -0.00297 -0.00797 -0.00262 0.00071 0.00260 90 2S -0.00771 0.11152 -0.13936 -0.00806 0.02895 91 3S -0.00741 0.02648 -0.14936 0.00598 0.02342 92 4PX 0.00070 0.00190 -0.01116 0.00164 0.00095 93 4PY -0.00119 -0.01759 -0.01890 -0.00056 0.00358 94 4PZ 0.00136 0.01597 0.06306 0.00053 0.00202 95 5PX 0.00013 0.01340 0.01795 -0.00710 0.00071 96 5PY -0.00194 0.03657 -0.01532 0.00332 -0.00204 97 5PZ 0.00237 -0.02372 0.02945 -0.00366 -0.00793 98 6PX 0.00111 0.00726 -0.00311 0.00753 -0.00779 99 6PY -0.00088 -0.00298 -0.03497 0.00342 -0.00173 100 6PZ 0.00079 0.00627 0.02572 -0.00627 0.00164 101 7D 0 0.00149 0.02875 0.16034 -0.00126 0.01758 102 7D+1 -0.00049 0.00458 -0.00359 0.01076 -0.00051 103 7D-1 -0.00221 -0.06188 -0.31281 0.00409 -0.01400 104 7D+2 -0.00118 -0.02063 -0.04269 0.00051 -0.00150 105 7D-2 0.00137 0.01380 -0.03023 -0.00883 -0.00553 106 8D 0 0.00090 0.01117 0.05514 0.00005 0.00439 107 8D+1 -0.00006 0.00221 -0.00021 0.00456 -0.00063 108 8D-1 -0.00123 -0.02082 -0.10548 0.00014 -0.00228 109 8D+2 -0.00051 -0.00673 -0.01437 -0.00017 0.00101 110 8D-2 0.00048 0.00429 -0.00986 -0.00376 -0.00171 111 6 Cu 1S -0.00258 -0.00758 -0.00253 0.00455 -0.00032 112 2S -0.00660 0.07151 -0.00446 0.04546 -0.02727 113 3S -0.01095 0.00805 -0.15731 0.03039 0.01143 114 4PX -0.00146 -0.02207 -0.06444 0.00116 -0.00039 115 4PY 0.00027 0.00196 0.01856 0.00255 0.00200 116 4PZ -0.00104 -0.00683 0.01264 -0.00029 0.00182 117 5PX -0.00430 0.03806 -0.03250 0.01028 0.00186 118 5PY 0.00201 0.01300 0.02942 -0.00730 -0.00869 119 5PZ 0.00020 0.00804 0.00745 -0.00120 -0.00292 120 6PX -0.00186 -0.00163 -0.05348 -0.00771 0.01346 121 6PY 0.00076 -0.00416 0.03616 -0.00510 0.00687 122 6PZ -0.00287 -0.00402 -0.01510 0.00427 0.00555 123 7D 0 -0.00253 -0.04591 -0.13173 -0.01439 0.00934 124 7D+1 -0.00123 -0.01488 -0.10224 -0.00218 0.00261 125 7D-1 0.00075 0.00202 -0.03003 0.00014 0.00031 126 7D+2 0.00213 0.04208 0.17552 0.02106 -0.01441 127 7D-2 -0.00046 -0.02079 -0.22685 -0.02093 -0.00185 128 8D 0 -0.00093 -0.01523 -0.04623 -0.00300 0.00214 129 8D+1 -0.00049 -0.00566 -0.03379 -0.00052 0.00071 130 8D-1 0.00029 0.00042 -0.01043 -0.00025 0.00007 131 8D+2 0.00069 0.01457 0.05785 0.00450 -0.00422 132 8D-2 -0.00020 -0.00749 -0.08018 -0.00567 -0.00285 133 7 Cu 1S -0.00305 -0.01259 -0.00381 0.00277 0.00185 134 2S -0.01269 -0.00024 -0.13559 0.03316 0.02664 135 3S -0.00918 -0.05816 0.07574 0.01372 0.00386 136 4PX -0.00166 -0.02190 -0.01493 0.00220 -0.00354 137 4PY -0.00115 -0.01705 -0.00099 -0.00190 0.00458 138 4PZ 0.00038 0.00164 0.02044 0.00241 0.00148 139 5PX -0.00564 0.02577 -0.00685 0.00160 0.01157 140 5PY -0.00348 0.01847 0.00825 0.01206 -0.00407 141 5PZ 0.00218 0.00623 0.00485 -0.00871 -0.00176 142 6PX -0.00066 0.00067 0.00259 0.00564 -0.00879 143 6PY 0.00266 0.00726 0.00395 -0.01529 0.00243 144 6PZ 0.00188 -0.00567 -0.01084 0.00563 -0.00054 145 7D 0 -0.00060 -0.01771 -0.11081 -0.00602 -0.00642 146 7D+1 -0.00032 -0.01982 -0.08363 -0.01014 -0.00712 147 7D-1 -0.00157 -0.02389 -0.12882 -0.00853 -0.00365 148 7D+2 0.00018 0.00373 0.03144 0.00195 0.00410 149 7D-2 0.00075 0.02905 0.26502 0.01824 0.00949 150 8D 0 0.00007 -0.00591 -0.03837 -0.00123 -0.00173 151 8D+1 0.00021 -0.00666 -0.03092 -0.00325 -0.00217 152 8D-1 -0.00039 -0.00765 -0.04216 -0.00305 -0.00098 153 8D+2 -0.00016 0.00114 0.01051 -0.00051 0.00230 154 8D-2 -0.00035 0.00894 0.08922 0.00543 0.00273 155 8 Cu 1S -0.00297 -0.00688 0.00406 0.00300 -0.00102 156 2S -0.00399 0.15674 -0.04617 0.01529 -0.02795 157 3S -0.00028 0.07931 -0.19800 -0.00334 -0.00202 158 4PX 0.00091 -0.00439 -0.03365 0.00241 -0.00252 159 4PY 0.00200 0.01076 -0.01306 -0.00016 0.00201 160 4PZ 0.00098 0.01274 0.04963 0.00130 0.00009 161 5PX -0.00083 0.02478 -0.02083 -0.00521 0.00429 162 5PY -0.00029 -0.00706 0.04537 0.00013 -0.00864 163 5PZ -0.00072 -0.02367 0.03215 -0.00561 0.00227 164 6PX 0.00041 -0.02030 -0.01440 0.00410 0.00490 165 6PY 0.00254 -0.00656 0.03517 -0.00317 0.00129 166 6PZ 0.00013 0.01629 0.04507 0.00354 -0.00541 167 7D 0 0.00226 0.05288 0.10913 0.01631 -0.01735 168 7D+1 -0.00250 -0.06160 -0.10967 -0.00029 0.01876 169 7D-1 0.00122 0.05134 0.25575 0.01259 -0.00140 170 7D+2 0.00063 0.00712 -0.07344 -0.00909 -0.00334 171 7D-2 -0.00092 -0.01226 -0.06340 -0.00188 -0.00011 172 8D 0 0.00180 0.01938 0.03981 0.00458 -0.00479 173 8D+1 -0.00167 -0.02011 -0.04061 0.00119 0.00492 174 8D-1 0.00139 0.01747 0.08982 0.00324 0.00213 175 8D+2 0.00021 0.00319 -0.02412 -0.00344 -0.00173 176 8D-2 -0.00083 -0.00544 -0.02226 0.00024 -0.00094 177 9 C 1S -0.00002 0.01290 -0.01988 -0.00048 0.00371 178 2S 0.00201 -0.02328 0.06213 -0.00001 -0.01158 179 3S 0.00297 -0.05378 0.07492 0.00928 0.00192 180 4PX 0.00031 0.03958 -0.03644 -0.00587 -0.00301 181 4PY 0.00151 -0.01857 0.14921 -0.00020 -0.00961 182 4PZ -0.00007 -0.02190 0.02273 0.00073 0.00363 183 5PX 0.00074 0.02050 -0.00018 -0.00280 -0.00702 184 5PY 0.00171 -0.01966 -0.01654 0.00261 0.00287 185 5PZ -0.00036 -0.01151 -0.00906 0.00126 0.00469 186 10 O 1S 0.00015 -0.00182 -0.02172 0.00009 -0.00098 187 2S -0.00071 0.00663 0.03879 -0.00038 0.00299 188 3S -0.00045 -0.00141 0.06423 -0.00037 0.00343 189 4PX -0.00070 -0.03103 0.04471 0.00515 0.00349 190 4PY -0.00007 0.00594 -0.13568 -0.00004 0.00724 191 4PZ 0.00070 0.01849 -0.02448 -0.00084 -0.00355 192 5PX -0.00064 -0.02039 0.01502 0.00319 0.00457 193 5PY -0.00035 0.00135 -0.02708 -0.00092 0.00188 194 5PZ 0.00046 0.01163 -0.00421 -0.00077 -0.00333 6 7 8 9 10 6 4PZ 2.00149 7 5PX 0.00256 0.09995 8 5PY -0.00485 -0.00659 0.08829 9 5PZ 0.00964 -0.02948 0.02306 0.14076 10 6PX 0.00031 0.01605 -0.00289 -0.02233 0.12293 11 6PY -0.00436 -0.00161 0.00259 0.01735 -0.06451 12 6PZ -0.05908 -0.02411 0.00865 0.06035 -0.13628 13 7D 0 0.00058 -0.04791 -0.02131 -0.01554 -0.06948 14 7D+1 -0.00360 0.01465 0.01016 0.03234 0.03023 15 7D-1 -0.00483 0.01757 -0.02828 0.06083 0.10140 16 7D+2 0.00092 0.06490 -0.09739 0.01650 0.06566 17 7D-2 -0.00115 0.00896 0.03409 0.01470 0.01134 18 8D 0 0.00013 -0.01529 -0.00714 -0.00520 -0.02258 19 8D+1 -0.00144 0.00594 0.00443 0.00950 0.00812 20 8D-1 -0.00126 0.00593 -0.00952 0.01936 0.03346 21 8D+2 0.00074 0.02038 -0.03184 0.00591 0.02145 22 8D-2 0.00005 0.00172 0.00983 0.00503 0.00333 23 2 Cu 1S 0.00019 0.00017 0.00739 0.00177 0.00549 24 2S 0.00709 0.02389 -0.03677 -0.01372 0.05430 25 3S 0.00349 0.01977 0.04245 0.00870 0.06779 26 4PX 0.00055 -0.00651 -0.01084 -0.00198 -0.00368 27 4PY -0.00240 -0.00272 0.01573 0.00525 -0.00703 28 4PZ 0.00503 0.00170 0.00473 -0.01301 -0.00338 29 5PX -0.00312 0.01095 0.00258 0.00334 -0.00559 30 5PY 0.01135 0.03447 0.01093 -0.01023 0.05664 31 5PZ -0.01397 0.00397 -0.00953 0.01620 -0.01060 32 6PX -0.00539 -0.00439 -0.00805 0.00383 -0.02818 33 6PY -0.00201 0.00982 -0.01490 -0.00490 -0.00406 34 6PZ 0.02079 0.00808 0.00355 -0.02112 0.05076 35 7D 0 -0.00487 -0.02326 0.05813 0.01449 -0.02395 36 7D+1 -0.00161 0.01116 -0.00560 0.00509 0.05235 37 7D-1 -0.00671 0.00534 -0.02300 -0.00769 0.01713 38 7D+2 -0.00638 0.01998 0.09635 0.01821 0.06924 39 7D-2 -0.00069 0.01920 -0.02464 -0.00620 -0.07220 40 8D 0 -0.00141 -0.00726 0.02004 0.00415 -0.00738 41 8D+1 -0.00080 0.00323 -0.00214 0.00209 0.01677 42 8D-1 -0.00337 0.00180 -0.00743 -0.00417 0.00508 43 8D+2 -0.00185 0.00729 0.03330 0.00560 0.02289 44 8D-2 -0.00023 0.00578 -0.00792 -0.00164 -0.02471 45 3 Cu 1S 0.00406 0.00111 0.00090 -0.00089 -0.01057 46 2S 0.04285 0.06688 -0.02235 -0.10264 0.08316 47 3S 0.00152 0.00796 0.03678 0.04884 -0.05191 48 4PX 0.00203 -0.00194 -0.00524 -0.01645 0.01631 49 4PY 0.00218 0.00771 -0.00789 -0.00690 0.00403 50 4PZ 0.00170 -0.00237 0.01474 0.00617 -0.03402 51 5PX -0.00478 0.00505 0.00250 0.00610 0.00680 52 5PY 0.00113 -0.00718 0.00711 0.01425 0.00270 53 5PZ -0.00349 -0.00650 -0.00063 0.01844 0.00026 54 6PX -0.00181 -0.00011 0.00136 -0.00453 -0.02968 55 6PY -0.01491 -0.00436 0.00315 0.01554 -0.03774 56 6PZ -0.00268 -0.00018 0.00731 0.01296 -0.02439 57 7D 0 0.01890 0.07751 -0.09773 -0.07498 0.01963 58 7D+1 -0.01997 0.05282 0.02422 0.08722 0.07915 59 7D-1 0.02658 0.06482 -0.03377 -0.15866 0.05225 60 7D+2 -0.00454 -0.01269 -0.02270 0.06202 0.03928 61 7D-2 -0.01383 0.03114 0.00605 0.05061 0.08895 62 8D 0 0.00185 0.02633 -0.03329 -0.02603 0.00677 63 8D+1 -0.00377 0.01697 0.00891 0.03158 0.02541 64 8D-1 0.00568 0.02142 -0.01121 -0.05263 0.01705 65 8D+2 -0.00140 -0.00355 -0.00806 0.01979 0.01347 66 8D-2 -0.00361 0.01025 0.00176 0.01731 0.03001 67 4 Cu 1S 0.00244 0.00298 0.00259 0.00182 -0.00247 68 2S 0.03637 -0.03402 -0.02273 -0.06682 0.05984 69 3S 0.00140 -0.00094 0.01119 0.00297 0.03161 70 4PX -0.00156 -0.00342 0.00585 0.00717 0.02481 71 4PY 0.00096 0.00492 -0.01381 -0.00703 -0.00398 72 4PZ 0.00171 0.01595 0.00606 -0.00313 -0.00583 73 5PX 0.00616 0.01783 -0.00138 -0.00568 0.03552 74 5PY 0.00312 -0.00179 0.01458 0.00091 -0.00120 75 5PZ -0.00327 -0.00694 -0.00410 0.00473 0.00202 76 6PX -0.01519 0.01589 -0.00018 -0.00871 -0.02778 77 6PY -0.00719 -0.00301 0.01034 0.01274 0.00338 78 6PZ 0.00403 0.00396 0.00451 0.00483 0.03519 79 7D 0 -0.00590 0.01290 0.00140 0.02706 -0.06257 80 7D+1 0.01410 -0.08710 -0.04256 -0.05044 0.08361 81 7D-1 0.00793 -0.05257 -0.08018 -0.03686 -0.06210 82 7D+2 0.00623 -0.03861 -0.03055 -0.00616 -0.04323 83 7D-2 0.01783 -0.05256 -0.04338 -0.07706 -0.03983 84 8D 0 -0.00247 0.00465 -0.00033 0.00761 -0.01975 85 8D+1 0.00215 -0.03037 -0.01473 -0.01741 0.02820 86 8D-1 0.00102 -0.01740 -0.02713 -0.01248 -0.02063 87 8D+2 0.00130 -0.01361 -0.01013 -0.00189 -0.01371 88 8D-2 0.00488 -0.01747 -0.01428 -0.02575 -0.01404 89 5 Cu 1S -0.00373 -0.00011 0.00403 -0.00112 -0.00529 90 2S -0.04134 0.02845 -0.03226 0.07289 0.01442 91 3S -0.01049 0.02437 0.01271 -0.02198 -0.02168 92 4PX -0.00221 -0.00746 -0.00093 0.01199 0.00554 93 4PY 0.00005 -0.00119 -0.00491 -0.00176 -0.01024 94 4PZ 0.00172 0.00078 -0.01751 -0.00201 0.01234 95 5PX 0.00243 0.00967 0.00056 -0.00597 0.01474 96 5PY -0.00588 0.00278 0.01659 -0.00364 0.00347 97 5PZ -0.00047 0.00139 -0.00025 0.01080 0.00581 98 6PX 0.00518 0.00139 -0.00195 0.00913 -0.01217 99 6PY 0.01543 0.00756 0.01299 -0.01228 0.02025 100 6PZ -0.00097 -0.00302 -0.00454 0.00401 0.01521 101 7D 0 -0.01087 -0.01265 -0.04026 0.04399 -0.03215 102 7D+1 -0.00332 -0.06344 0.03030 0.02551 -0.06546 103 7D-1 0.02987 0.00333 0.08829 -0.12215 0.07649 104 7D+2 0.01329 0.02108 0.02992 -0.07521 0.02086 105 7D-2 0.00138 0.05097 0.02283 0.02063 -0.04420 106 8D 0 -0.00061 -0.00476 -0.01349 0.01576 -0.01131 107 8D+1 -0.00084 -0.02121 0.00940 0.01000 -0.02281 108 8D-1 0.00598 0.00086 0.03029 -0.04101 0.02593 109 8D+2 0.00316 0.00704 0.01006 -0.02536 0.00737 110 8D-2 0.00019 0.01708 0.00793 0.00670 -0.01495 111 6 Cu 1S -0.00029 0.00486 -0.00126 -0.00036 -0.00134 112 2S -0.00384 -0.07024 0.04499 0.00931 0.01309 113 3S 0.00483 0.03793 0.00259 -0.01745 0.02226 114 4PX 0.00072 0.00753 0.00389 0.00808 0.00603 115 4PY 0.00042 -0.01319 -0.00463 -0.00109 0.00764 116 4PZ 0.00329 0.00231 -0.00564 -0.01229 -0.00371 117 5PX -0.00151 0.01989 -0.00358 -0.00274 0.01530 118 5PY -0.00045 0.00121 0.01521 0.00135 0.00312 119 5PZ -0.00925 0.00222 0.00453 0.01065 -0.00538 120 6PX -0.00020 0.00815 0.00756 0.00209 0.01317 121 6PY 0.00112 -0.01456 0.00188 0.00468 0.00844 122 6PZ 0.01001 -0.00239 0.00051 0.00691 -0.00323 123 7D 0 0.00230 0.07754 -0.04134 -0.01701 0.04263 124 7D+1 -0.01092 0.00009 -0.02151 0.04779 0.05505 125 7D-1 0.00061 -0.00969 0.00033 0.01125 0.02275 126 7D+2 0.00011 -0.12094 0.04700 -0.01033 0.08076 127 7D-2 0.00075 0.07446 0.04110 -0.02902 -0.01510 128 8D 0 0.00129 0.02640 -0.01368 -0.00561 0.01487 129 8D+1 -0.00489 -0.00093 -0.00708 0.01540 0.01848 130 8D-1 0.00063 -0.00331 0.00044 0.00432 0.00722 131 8D+2 -0.00001 -0.04008 0.01566 -0.00409 0.02771 132 8D-2 0.00054 0.02580 0.01422 -0.01006 -0.00505 133 7 Cu 1S -0.00138 0.00442 0.00607 -0.00022 -0.00611 134 2S -0.01654 -0.04506 -0.02847 0.03299 -0.00126 135 3S -0.00508 -0.00318 -0.00294 0.00510 -0.05170 136 4PX 0.00178 0.00433 0.01410 -0.00921 0.00599 137 4PY 0.00081 0.01103 -0.00931 -0.00448 -0.01666 138 4PZ 0.00402 -0.01156 -0.00775 -0.00806 0.01205 139 5PX -0.00817 0.00882 -0.00783 0.00536 0.00941 140 5PY -0.00297 -0.00238 0.01270 0.00027 -0.00394 141 5PZ -0.00782 0.00768 -0.00017 0.00349 0.00792 142 6PX 0.00921 0.01725 -0.00303 0.00372 -0.01404 143 6PY 0.00630 0.00068 0.02880 -0.00860 0.04165 144 6PZ 0.01422 0.00285 0.00126 0.01155 0.02596 145 7D 0 0.00443 0.05159 0.04157 -0.00238 0.01754 146 7D+1 0.00177 0.03899 0.00374 -0.04555 -0.06438 147 7D-1 -0.00067 0.02976 0.04214 -0.03378 0.08101 148 7D+2 -0.00401 -0.05303 0.03932 0.01637 0.02026 149 7D-2 -0.01039 -0.09310 -0.08302 0.03380 -0.01320 150 8D 0 0.00159 0.01759 0.01404 0.00047 0.00645 151 8D+1 -0.00019 0.01389 0.00131 -0.01691 -0.02108 152 8D-1 -0.00133 0.00995 0.01445 -0.01264 0.02750 153 8D+2 -0.00164 -0.01921 0.01362 0.00564 0.00624 154 8D-2 -0.00329 -0.03069 -0.02842 0.01038 -0.00344 155 8 Cu 1S -0.00450 0.00052 -0.00113 -0.00058 0.00613 156 2S -0.04114 -0.02149 0.05864 0.08549 0.03343 157 3S 0.00368 0.05254 -0.00072 -0.06493 0.12992 158 4PX -0.00091 -0.00571 0.00857 0.00267 0.03441 159 4PY -0.00156 -0.00292 0.00443 0.01830 -0.01305 160 4PZ 0.00154 -0.01098 0.00371 0.00832 -0.03397 161 5PX -0.00272 0.01614 -0.01007 -0.00722 0.00761 162 5PY 0.00362 -0.00502 0.01472 -0.00136 -0.01478 163 5PZ -0.00202 0.00113 0.00409 0.01628 -0.01864 164 6PX 0.01077 0.00353 -0.00099 -0.00752 0.01638 165 6PY -0.00036 -0.00292 0.00125 0.00141 0.01193 166 6PZ -0.00346 -0.01227 -0.00159 0.01654 -0.01953 167 7D 0 -0.01325 -0.07121 0.06537 0.07649 0.02225 168 7D+1 0.02397 0.02878 -0.11010 -0.12907 0.07767 169 7D-1 -0.02500 -0.06618 -0.02996 0.10709 -0.00147 170 7D+2 -0.00113 0.05145 0.03082 0.04546 -0.04846 171 7D-2 0.01387 0.03934 -0.00067 -0.06845 -0.00034 172 8D 0 -0.00112 -0.02470 0.02298 0.02676 0.00759 173 8D+1 0.00504 0.00982 -0.03675 -0.04273 0.02639 174 8D-1 -0.00496 -0.02292 -0.01006 0.03761 -0.00121 175 8D+2 -0.00082 0.01788 0.01011 0.01510 -0.01628 176 8D-2 0.00331 0.01337 -0.00086 -0.02413 0.00063 177 9 C 1S 0.00094 0.00018 -0.00859 -0.00325 0.00833 178 2S -0.00248 -0.00200 0.01078 0.00619 -0.02835 179 3S -0.00166 -0.00212 0.03159 0.01204 -0.02721 180 4PX 0.00032 0.01635 0.01212 -0.00025 -0.01078 181 4PY -0.00136 -0.01192 0.00526 0.00741 -0.01892 182 4PZ -0.00672 -0.00410 -0.01094 0.01294 -0.00090 183 5PX 0.00010 0.00612 0.00330 -0.00267 0.00439 184 5PY 0.00003 0.00564 0.01804 0.00148 -0.00315 185 5PZ -0.00220 -0.00045 -0.00187 0.01100 -0.00105 186 10 O 1S -0.00021 0.00086 0.00525 0.00018 -0.00719 187 2S 0.00076 -0.00112 -0.01262 -0.00133 0.01539 188 3S 0.00026 -0.00495 -0.01302 0.00060 0.01683 189 4PX -0.00025 -0.01801 -0.01825 0.00543 -0.06036 190 4PY 0.00073 0.01408 0.00030 -0.00335 -0.02453 191 4PZ 0.00661 0.00726 0.01000 -0.02092 0.02682 192 5PX 0.00003 -0.01002 -0.01010 0.00278 -0.02790 193 5PY -0.00020 0.00048 -0.00490 0.00038 -0.00960 194 5PZ 0.00378 0.00295 0.00571 -0.01369 0.01194 11 12 13 14 15 11 6PY 0.12056 12 6PZ 0.10023 0.35887 13 7D 0 0.01950 0.00779 1.48100 14 7D+1 -0.03547 -0.01064 0.00199 1.48431 15 7D-1 -0.07557 -0.00953 -0.00499 0.00974 1.48985 16 7D+2 -0.08533 0.13171 -0.00901 0.00232 0.01246 17 7D-2 0.04023 0.00241 -0.01178 -0.00190 -0.00351 18 8D 0 0.00748 0.00140 0.48443 -0.00282 0.00160 19 8D+1 -0.01082 -0.00086 -0.00279 0.48404 0.00019 20 8D-1 -0.02312 -0.00108 0.00149 0.00026 0.48645 21 8D+2 -0.02857 0.04128 -0.00328 -0.00151 0.00275 22 8D-2 0.01380 0.00072 -0.00380 0.00143 -0.00268 23 2 Cu 1S -0.00433 0.00210 -0.00029 -0.00040 0.00018 24 2S 0.00940 -0.06057 -0.04928 -0.00639 0.02524 25 3S 0.00819 -0.11980 -0.15478 -0.00830 0.05931 26 4PX 0.01112 0.00509 0.00682 -0.00122 0.00470 27 4PY -0.00577 0.00533 0.01916 0.00075 -0.00794 28 4PZ -0.00234 0.02224 0.00557 -0.00287 0.00954 29 5PX 0.00071 0.01821 -0.02573 0.01371 -0.02417 30 5PY 0.02213 -0.09872 -0.11808 -0.01496 0.05210 31 5PZ 0.01064 0.05092 -0.02183 0.02527 0.01904 32 6PX 0.01230 0.07220 -0.01592 0.00333 -0.00806 33 6PY 0.02628 -0.00673 0.00146 -0.01106 -0.00012 34 6PZ -0.02197 -0.09088 -0.02106 -0.00729 0.03212 35 7D 0 0.00168 0.03642 -0.01675 0.00174 0.00966 36 7D+1 -0.05142 -0.12459 -0.00256 -0.02262 0.00032 37 7D-1 -0.00923 -0.08193 0.01358 -0.00428 0.04682 38 7D+2 -0.08421 -0.09629 -0.00083 0.00477 0.00258 39 7D-2 0.03150 0.05776 -0.00049 0.01255 -0.00545 40 8D 0 -0.00072 0.01143 -0.00438 0.00087 0.00249 41 8D+1 -0.01756 -0.04002 -0.00055 -0.00678 -0.00099 42 8D-1 -0.00180 -0.02692 0.00292 -0.00010 0.00833 43 8D+2 -0.03021 -0.03190 0.00151 0.00162 0.00003 44 8D-2 0.00873 0.02136 -0.00005 0.00385 -0.00207 45 3 Cu 1S 0.00779 0.02289 -0.00004 -0.00182 -0.00470 46 2S 0.02052 -0.11581 0.03755 -0.06608 -0.00100 47 3S 0.09855 0.15449 0.13410 -0.16604 -0.01277 48 4PX -0.00009 -0.03128 0.01972 0.00670 0.01065 49 4PY 0.02526 0.04158 -0.01878 0.01042 0.00673 50 4PZ 0.04987 0.09403 -0.01142 0.01968 -0.02300 51 5PX -0.01028 -0.00935 -0.06664 -0.00141 -0.02045 52 5PY 0.00632 -0.00683 0.04326 -0.03791 -0.02947 53 5PZ 0.01443 0.02086 0.04630 -0.06157 0.05647 54 6PX 0.01724 0.03127 0.01296 0.02214 -0.03346 55 6PY 0.00460 0.09126 -0.00563 0.00952 -0.00032 56 6PZ 0.02012 0.02600 0.02634 -0.02744 -0.03494 57 7D 0 -0.02935 0.05499 0.02394 0.02910 -0.02900 58 7D+1 -0.06520 -0.04408 0.02317 0.01498 0.03094 59 7D-1 -0.06080 -0.12351 -0.03579 0.02225 0.01675 60 7D+2 -0.03372 0.13060 -0.00851 -0.02922 -0.02251 61 7D-2 -0.05984 -0.07566 0.02467 0.01413 -0.01633 62 8D 0 -0.00967 0.01854 0.00174 0.00904 -0.00769 63 8D+1 -0.02182 -0.01334 0.00337 0.00151 0.00811 64 8D-1 -0.02013 -0.04101 -0.01320 0.00573 -0.00084 65 8D+2 -0.01111 0.04271 -0.00246 -0.00807 -0.00260 66 8D-2 -0.01980 -0.02494 0.00519 0.00104 -0.00239 67 4 Cu 1S -0.00266 -0.00045 0.00415 0.00091 -0.00106 68 2S -0.00018 -0.07116 0.04373 0.05284 0.00833 69 3S -0.05587 -0.00471 0.07272 0.24863 0.13035 70 4PX -0.01883 -0.03913 -0.00489 -0.01536 -0.01380 71 4PY 0.00723 0.00579 -0.00285 -0.01782 0.00728 72 4PZ 0.00441 -0.01586 0.01006 -0.01158 -0.00906 73 5PX -0.00709 -0.02651 0.01051 0.07830 0.03885 74 5PY 0.00752 -0.00005 0.00748 0.05728 -0.01108 75 5PZ -0.00163 0.01034 -0.00428 0.07330 0.05830 76 6PX 0.01501 0.04696 -0.01295 -0.00604 -0.03083 77 6PY 0.00472 -0.00779 0.00847 0.00507 0.00046 78 6PZ -0.03395 -0.05370 0.02088 0.02495 0.05648 79 7D 0 0.07280 0.06615 0.03179 0.01470 0.00543 80 7D+1 -0.06338 -0.12011 0.02436 -0.02761 -0.02096 81 7D-1 0.02110 0.14020 0.01098 -0.02342 0.00766 82 7D+2 0.04748 0.12645 -0.01535 0.01158 -0.03304 83 7D-2 0.01333 0.08288 -0.02625 -0.02406 0.00886 84 8D 0 0.02387 0.02168 0.00535 0.00348 0.00388 85 8D+1 -0.02140 -0.03996 0.00723 -0.00720 -0.00427 86 8D-1 0.00752 0.04733 0.00157 -0.00565 0.00141 87 8D+2 0.01617 0.04230 -0.00394 0.00328 -0.00574 88 8D-2 0.00502 0.02813 -0.00589 -0.00520 0.00084 89 5 Cu 1S 0.00159 0.00209 0.00170 0.00295 0.00148 90 2S 0.06741 0.01218 0.03344 0.04300 -0.03634 91 3S 0.03114 -0.04395 0.15784 0.06544 -0.18737 92 4PX 0.00042 -0.01470 0.00670 -0.01585 -0.00045 93 4PY 0.02306 0.01121 -0.02076 -0.00648 0.01254 94 4PZ -0.01965 -0.01571 0.00302 0.00318 -0.02785 95 5PX -0.01036 -0.00723 -0.03165 0.04365 0.01437 96 5PY 0.01261 -0.00711 0.04870 0.03466 -0.06008 97 5PZ -0.01634 0.01207 -0.04947 -0.00949 0.10771 98 6PX 0.02061 -0.00496 0.01431 -0.03051 0.00232 99 6PY -0.01844 -0.03634 -0.02725 -0.00343 -0.00154 100 6PZ -0.01283 -0.01732 -0.04346 -0.00817 0.00627 101 7D 0 0.01094 -0.01468 0.03764 -0.00828 0.03613 102 7D+1 0.08984 0.15508 -0.00545 0.03203 0.00623 103 7D-1 -0.04251 -0.00288 0.02984 0.00715 -0.03180 104 7D+2 0.02786 0.08257 0.02978 0.01949 0.00794 105 7D-2 0.05550 0.20846 0.01037 -0.03107 -0.00295 106 8D 0 0.00481 -0.00435 0.00851 -0.00373 0.00749 107 8D+1 0.03143 0.05278 0.00146 0.00511 -0.00070 108 8D-1 -0.01459 -0.00078 0.00862 0.00028 -0.01013 109 8D+2 0.00886 0.02643 0.00663 0.00459 0.00174 110 8D-2 0.01826 0.07112 0.00235 -0.00472 0.00151 111 6 Cu 1S -0.00275 0.00355 0.00032 0.00083 -0.00146 112 2S 0.01411 0.03540 -0.03406 0.00546 -0.03212 113 3S -0.00821 0.02743 -0.09390 -0.00790 -0.04219 114 4PX 0.01399 0.04732 0.01671 -0.00093 0.00043 115 4PY -0.00312 -0.01377 -0.00118 -0.00122 0.00082 116 4PZ 0.00702 0.00428 0.00084 0.01495 -0.00981 117 5PX 0.00279 0.00027 -0.06641 0.00546 -0.01054 118 5PY 0.00071 -0.02445 0.00504 0.01322 -0.01317 119 5PZ 0.00762 0.02733 -0.00734 -0.01711 0.03224 120 6PX -0.00584 -0.00433 0.00852 0.00891 0.01368 121 6PY -0.01438 0.00116 0.00458 0.02421 0.02613 122 6PZ 0.00310 -0.01816 0.00579 0.03611 -0.02525 123 7D 0 -0.04850 -0.14644 -0.02713 -0.00115 0.00149 124 7D+1 -0.04560 -0.06043 -0.00266 0.04510 -0.02823 125 7D-1 -0.05190 -0.03649 0.00238 -0.03217 -0.00526 126 7D+2 -0.10924 -0.09688 0.01203 -0.00339 0.00101 127 7D-2 0.03940 -0.05299 -0.00968 0.00171 -0.00323 128 8D 0 -0.01625 -0.05016 -0.00635 0.00008 -0.00027 129 8D+1 -0.01537 -0.01968 -0.00308 0.00789 -0.00503 130 8D-1 -0.01691 -0.01179 0.00057 -0.00855 -0.00220 131 8D+2 -0.03671 -0.03360 0.00249 -0.00001 -0.00126 132 8D-2 0.01367 -0.01887 -0.00200 0.00170 -0.00108 133 7 Cu 1S 0.00243 0.01029 0.00300 -0.00317 0.00211 134 2S 0.05869 0.05629 0.01044 -0.04629 0.00884 135 3S 0.05408 0.10586 -0.05207 -0.14929 -0.07529 136 4PX -0.00960 0.02095 0.00772 0.00656 0.00853 137 4PY 0.02471 0.00958 0.00506 0.00698 0.00749 138 4PZ 0.00162 0.02039 -0.00809 0.00319 0.00094 139 5PX 0.01716 0.01826 -0.03925 -0.03677 -0.02941 140 5PY 0.02270 0.00737 -0.02927 -0.02766 -0.03875 141 5PZ -0.00784 0.00318 0.00610 0.03030 0.03254 142 6PX 0.01219 0.00822 -0.00297 -0.01260 -0.00254 143 6PY -0.04689 -0.06703 0.00220 0.01571 0.01485 144 6PZ -0.03252 -0.06975 0.00290 0.01767 0.03679 145 7D 0 -0.03234 -0.12757 -0.01072 -0.02645 -0.02417 146 7D+1 0.05854 0.10827 -0.03399 0.00383 0.01616 147 7D-1 -0.06716 -0.10476 -0.02455 0.01900 -0.01239 148 7D+2 -0.01590 0.02611 0.00159 -0.00895 0.02048 149 7D-2 0.01708 -0.03175 -0.00505 0.01854 0.01032 150 8D 0 -0.01102 -0.04241 -0.00437 -0.00623 -0.00594 151 8D+1 0.01900 0.03532 -0.00940 0.00102 0.00580 152 8D-1 -0.02355 -0.03749 -0.00564 0.00659 -0.00548 153 8D+2 -0.00446 0.00966 0.00041 -0.00335 0.00545 154 8D-2 0.00464 -0.01270 -0.00374 0.00208 0.00207 155 8 Cu 1S -0.01392 -0.02328 -0.00117 0.00275 0.00126 156 2S 0.03300 0.00688 0.03045 -0.01480 0.06948 157 3S -0.06718 -0.23784 0.05916 -0.05143 0.22807 158 4PX -0.01647 -0.04153 -0.01545 -0.00672 -0.01367 159 4PY 0.03673 0.03842 0.02057 -0.01210 0.00221 160 4PZ 0.02866 0.09174 0.00727 -0.01992 0.01969 161 5PX 0.00704 -0.00317 0.02640 0.01993 0.05046 162 5PY 0.00464 0.02024 -0.05560 0.03541 -0.03640 163 5PZ 0.00711 0.03393 -0.03176 0.05380 -0.06660 164 6PX -0.02876 -0.05091 0.00182 0.01766 -0.00390 165 6PY -0.02902 -0.03666 -0.00757 -0.00121 -0.02123 166 6PZ 0.02111 0.03393 -0.00123 -0.00482 -0.03025 167 7D 0 -0.02507 0.02174 0.02867 0.01952 -0.02335 168 7D+1 -0.09407 -0.18038 0.02597 0.01180 0.02835 169 7D-1 -0.05410 -0.05935 -0.02120 0.03124 0.00182 170 7D+2 0.08280 0.20869 0.01168 -0.02467 -0.02290 171 7D-2 0.02825 0.06792 0.03178 0.01859 -0.00594 172 8D 0 -0.00845 0.00788 0.00290 0.00441 -0.00789 173 8D+1 -0.03100 -0.05988 0.00992 -0.00194 0.00855 174 8D-1 -0.01821 -0.01897 -0.00392 0.00769 -0.00115 175 8D+2 0.02803 0.06991 0.00350 -0.00272 -0.00635 176 8D-2 0.00878 0.02089 0.00735 0.00460 -0.00106 177 9 C 1S 0.00332 -0.00862 -0.00323 -0.00127 0.00284 178 2S 0.00239 0.02303 0.01095 0.00373 -0.00947 179 3S -0.02543 0.03417 -0.01687 0.00128 0.00833 180 4PX 0.04293 0.01570 -0.02738 0.00658 -0.00805 181 4PY -0.05677 0.06326 0.00552 0.00462 -0.01017 182 4PZ -0.01263 -0.01228 0.00553 0.00154 -0.00043 183 5PX 0.00506 -0.00432 -0.00110 0.00537 -0.00819 184 5PY -0.00336 -0.00492 -0.00949 0.00048 0.00448 185 5PZ -0.00055 -0.00261 0.00073 -0.00873 0.00686 186 10 O 1S 0.01841 -0.00744 0.00043 0.00036 -0.00069 187 2S -0.03473 0.01272 -0.00174 -0.00105 0.00231 188 3S -0.05614 0.02169 0.00241 -0.00172 0.00134 189 4PX 0.03059 0.09485 0.02212 -0.00533 0.00764 190 4PY 0.09838 -0.01781 0.00032 -0.00320 0.00680 191 4PZ -0.00317 -0.10483 -0.00220 -0.00212 0.00237 192 5PX 0.01439 0.04031 0.01166 -0.00466 0.00653 193 5PY 0.02611 0.00300 0.00300 -0.00095 0.00124 194 5PZ -0.00341 -0.04385 -0.00134 0.00168 -0.00208 16 17 18 19 20 16 7D+2 1.50409 17 7D-2 -0.00326 1.50839 18 8D 0 -0.00360 -0.00427 0.15874 19 8D+1 -0.00129 0.00151 -0.00205 0.15817 20 8D-1 0.00260 -0.00255 0.00158 -0.00089 0.15909 21 8D+2 0.48223 -0.00162 -0.00129 -0.00120 0.00039 22 8D-2 -0.00121 0.48538 -0.00136 0.00111 -0.00132 23 2 Cu 1S 0.00182 -0.00212 0.00012 -0.00009 0.00000 24 2S -0.04735 -0.02852 -0.01405 -0.00293 0.00944 25 3S -0.28651 -0.07023 -0.05173 -0.00144 0.02122 26 4PX -0.00222 0.00903 0.00198 -0.00038 0.00159 27 4PY 0.02419 0.00439 0.00441 0.00066 -0.00272 28 4PZ 0.00150 0.00478 0.00197 -0.00105 0.00466 29 5PX 0.05562 0.00003 -0.00936 0.00447 -0.00808 30 5PY -0.20183 -0.05899 -0.03876 -0.00474 0.01857 31 5PZ -0.01650 -0.02436 -0.00719 0.00914 0.00722 32 6PX 0.03390 0.00833 -0.00646 0.00145 -0.00260 33 6PY -0.00833 -0.01886 0.00063 -0.00380 0.00019 34 6PZ -0.03322 0.01068 -0.00772 -0.00362 0.01068 35 7D 0 -0.00689 0.00717 -0.00597 0.00120 0.00124 36 7D+1 0.00182 0.00882 -0.00099 -0.00744 -0.00155 37 7D-1 0.01119 -0.00829 0.00387 -0.00180 0.00973 38 7D+2 -0.02594 0.00891 -0.00050 0.00160 -0.00071 39 7D-2 0.00120 0.04996 -0.00169 0.00448 -0.00252 40 8D 0 -0.00201 0.00359 -0.00162 0.00049 0.00019 41 8D+1 0.00122 0.00092 -0.00027 -0.00223 -0.00083 42 8D-1 0.00352 -0.00263 0.00076 -0.00014 0.00084 43 8D+2 -0.00618 0.00047 0.00035 0.00057 -0.00052 44 8D-2 0.00258 0.00680 -0.00058 0.00140 -0.00094 45 3 Cu 1S 0.00282 0.00007 0.00060 -0.00093 -0.00075 46 2S 0.02852 -0.00508 0.01426 -0.02281 0.00117 47 3S 0.06496 -0.04926 0.04646 -0.05655 -0.00182 48 4PX -0.00837 0.00089 0.00466 0.00336 0.00197 49 4PY -0.00718 -0.00310 -0.00317 0.00166 0.00549 50 4PZ -0.00035 0.01250 0.00180 0.00224 -0.00153 51 5PX 0.03300 0.01363 -0.02238 0.00042 -0.00705 52 5PY 0.00517 0.00782 0.01413 -0.01257 -0.00945 53 5PZ 0.02092 -0.04197 0.01632 -0.02077 0.01931 54 6PX -0.02397 0.01003 0.00421 0.00842 -0.01091 55 6PY 0.03764 -0.02666 -0.00269 0.00414 -0.00004 56 6PZ -0.00815 -0.01273 0.00888 -0.00932 -0.01196 57 7D 0 0.00222 0.03210 0.00284 0.00796 -0.00559 58 7D+1 -0.02467 0.01034 0.00405 -0.00032 0.00555 59 7D-1 -0.02796 -0.01008 -0.01051 0.00562 0.00347 60 7D+2 -0.00033 -0.00193 -0.00397 -0.00684 -0.00357 61 7D-2 0.00482 -0.00618 0.00430 0.00106 -0.00453 62 8D 0 0.00272 0.00738 -0.00107 0.00246 -0.00122 63 8D+1 -0.00436 0.00143 -0.00009 -0.00125 0.00107 64 8D-1 -0.00715 -0.00003 -0.00397 0.00134 -0.00097 65 8D+2 -0.00054 -0.00288 -0.00116 -0.00177 0.00044 66 8D-2 0.00355 -0.00058 0.00043 -0.00086 -0.00050 67 4 Cu 1S 0.00015 -0.00202 0.00140 0.00050 -0.00028 68 2S 0.00922 0.01015 0.01622 0.01629 0.00318 69 3S 0.10307 0.09642 0.02526 0.08641 0.04334 70 4PX -0.00186 -0.01272 -0.00294 -0.00218 -0.00331 71 4PY -0.01060 -0.00166 -0.00147 -0.00405 0.00470 72 4PZ -0.00821 -0.01176 0.00379 -0.00151 -0.00124 73 5PX 0.04967 0.05179 0.00370 0.02596 0.01275 74 5PY -0.00005 0.01988 0.00257 0.01922 -0.00367 75 5PZ 0.03659 0.03962 -0.00076 0.02513 0.01971 76 6PX 0.01391 -0.00801 -0.00550 -0.00179 -0.01080 77 6PY -0.00589 0.02033 0.00431 0.00198 0.00025 78 6PZ 0.01218 0.00004 0.00777 0.00830 0.01887 79 7D 0 -0.01651 -0.02627 0.00596 0.00149 0.00204 80 7D+1 0.00820 -0.02561 0.00600 -0.00874 -0.00415 81 7D-1 -0.03405 0.00471 0.00052 -0.00539 0.00225 82 7D+2 0.01554 -0.01602 -0.00463 0.00311 -0.00561 83 7D-2 -0.02237 -0.00523 -0.00568 -0.00414 0.00270 84 8D 0 -0.00386 -0.00541 0.00027 0.00004 0.00136 85 8D+1 0.00424 -0.00476 0.00172 -0.00223 -0.00049 86 8D-1 -0.00945 0.00142 -0.00053 -0.00109 0.00039 87 8D+2 0.00270 -0.00100 -0.00114 0.00081 -0.00009 88 8D-2 -0.00784 -0.00524 -0.00096 -0.00044 0.00020 89 5 Cu 1S 0.00285 -0.00286 0.00085 0.00113 -0.00008 90 2S 0.02493 -0.02266 0.01258 0.01369 -0.00993 91 3S -0.01589 -0.10974 0.05451 0.02298 -0.06230 92 4PX -0.00371 0.00772 0.00282 -0.00575 -0.00082 93 4PY 0.00007 -0.00524 -0.00568 -0.00186 -0.00019 94 4PZ -0.01189 -0.00647 -0.00216 0.00070 -0.00393 95 5PX 0.03120 -0.00828 -0.01079 0.01400 0.00467 96 5PY -0.01619 0.00588 0.01588 0.01159 -0.01964 97 5PZ 0.02486 0.03661 -0.01725 -0.00297 0.03550 98 6PX -0.04013 0.02103 0.00555 -0.01029 0.00113 99 6PY -0.03337 -0.01054 -0.01019 -0.00137 -0.00065 100 6PZ -0.00858 0.01368 -0.01540 -0.00353 0.00158 101 7D 0 0.03364 0.01439 0.00803 -0.00368 0.00751 102 7D+1 0.01007 -0.03242 -0.00057 0.00446 0.00158 103 7D-1 0.00731 0.00120 0.00755 0.00199 -0.00838 104 7D+2 -0.00616 0.00069 0.00518 0.00642 0.00377 105 7D-2 -0.00155 0.00779 0.00336 -0.00385 0.00064 106 8D 0 0.00921 0.00238 0.00137 -0.00156 0.00099 107 8D+1 0.00066 -0.00576 0.00092 -0.00033 -0.00038 108 8D-1 0.00201 0.00123 0.00206 0.00000 -0.00262 109 8D+2 -0.00266 -0.00169 0.00063 0.00149 0.00096 110 8D-2 0.00125 0.00065 0.00075 0.00059 0.00104 111 6 Cu 1S -0.00357 -0.00316 0.00004 0.00048 -0.00064 112 2S -0.00914 -0.04687 -0.01135 0.00124 -0.01046 113 3S 0.06224 -0.23614 -0.03244 -0.00234 -0.01417 114 4PX -0.01512 0.01659 0.00285 0.00002 0.00021 115 4PY 0.01743 0.00077 0.00011 -0.00033 0.00014 116 4PZ 0.00248 -0.00249 0.00074 0.00615 -0.00387 117 5PX 0.06226 -0.08845 -0.02234 0.00152 -0.00338 118 5PY -0.06127 0.04156 0.00170 0.00466 -0.00433 119 5PZ 0.00605 0.01687 -0.00226 -0.00472 0.01091 120 6PX 0.01426 -0.01473 0.00343 0.00327 0.00472 121 6PY 0.03218 0.03632 0.00180 0.00804 0.00832 122 6PZ -0.01125 0.00126 0.00301 0.01288 -0.00878 123 7D 0 0.01275 -0.00573 -0.00581 0.00069 -0.00071 124 7D+1 0.00743 -0.00212 -0.00170 0.00675 -0.00694 125 7D-1 0.00359 0.00011 0.00033 -0.00822 -0.00124 126 7D+2 0.00108 0.03823 0.00133 -0.00100 -0.00050 127 7D-2 0.04602 0.01433 -0.00179 0.00235 -0.00082 128 8D 0 0.00384 0.00042 -0.00096 0.00040 -0.00051 129 8D+1 0.00382 0.00066 -0.00129 -0.00012 -0.00086 130 8D-1 0.00150 0.00034 0.00000 -0.00202 -0.00056 131 8D+2 -0.00224 0.00862 -0.00006 0.00001 -0.00069 132 8D-2 0.00748 0.00333 -0.00014 0.00120 -0.00022 133 7 Cu 1S 0.00124 -0.00107 0.00148 -0.00102 0.00093 134 2S 0.01608 0.00929 0.00518 -0.01672 0.00415 135 3S 0.09234 0.18413 -0.01832 -0.05284 -0.02616 136 4PX -0.00090 -0.01434 0.00150 0.00211 0.00267 137 4PY -0.00925 -0.01129 0.00070 0.00245 0.00178 138 4PZ 0.00090 0.00708 -0.00352 0.00223 0.00116 139 5PX 0.05827 0.07639 -0.01309 -0.01293 -0.00924 140 5PY -0.00535 0.07109 -0.00980 -0.00965 -0.01284 141 5PZ -0.00609 -0.02630 0.00171 0.01122 0.01155 142 6PX -0.00106 0.00751 -0.00104 -0.00418 -0.00047 143 6PY 0.00105 0.01735 0.00058 0.00491 0.00437 144 6PZ -0.02866 -0.00823 0.00105 0.00615 0.01236 145 7D 0 -0.00313 -0.00695 -0.00419 -0.00546 -0.00580 146 7D+1 -0.01146 0.02500 -0.00929 0.00069 0.00551 147 7D-1 0.02494 0.00537 -0.00526 0.00596 -0.00632 148 7D+2 0.03282 -0.01459 0.00052 -0.00271 0.00531 149 7D-2 -0.02058 -0.02857 -0.00419 0.00093 0.00130 150 8D 0 -0.00161 -0.00422 -0.00165 -0.00096 -0.00122 151 8D+1 -0.00517 0.00437 -0.00244 0.00020 0.00200 152 8D-1 0.00734 -0.00058 -0.00092 0.00207 -0.00256 153 8D+2 0.00845 -0.00266 0.00014 -0.00102 0.00132 154 8D-2 -0.00574 -0.00672 -0.00208 -0.00108 -0.00003 155 8 Cu 1S -0.00237 0.00257 0.00012 0.00026 0.00061 156 2S -0.03371 0.02056 0.01058 -0.00571 0.02440 157 3S -0.09769 0.00963 0.02149 -0.01914 0.07664 158 4PX 0.00322 -0.00454 -0.00246 -0.00496 -0.00224 159 4PY 0.01060 -0.00166 0.00520 -0.00208 -0.00097 160 4PZ -0.00428 -0.01390 -0.00269 -0.00155 0.00206 161 5PX 0.00162 0.01652 0.00874 0.00641 0.01700 162 5PY -0.03032 0.02255 -0.01886 0.01226 -0.01274 163 5PZ 0.02814 0.03863 -0.01115 0.01847 -0.02235 164 6PX -0.00234 -0.01644 0.00092 0.00594 -0.00198 165 6PY 0.01120 -0.01111 -0.00324 -0.00126 -0.00777 166 6PZ 0.01311 0.00308 -0.00012 -0.00168 -0.01010 167 7D 0 0.00470 0.03255 0.00288 0.00255 -0.00664 168 7D+1 -0.02309 0.01348 0.00682 0.00078 0.00730 169 7D-1 -0.02467 -0.00218 -0.00315 0.00507 -0.00333 170 7D+2 0.00818 0.00124 0.00532 -0.00267 -0.00525 171 7D-2 -0.00188 -0.00514 0.00624 0.00582 0.00075 172 8D 0 0.00011 0.00786 -0.00129 0.00015 -0.00226 173 8D+1 -0.00532 0.00094 0.00271 -0.00169 0.00219 174 8D-1 -0.00453 -0.00017 -0.00002 0.00074 -0.00171 175 8D+2 0.00122 0.00292 0.00165 0.00097 -0.00135 176 8D-2 -0.00230 -0.00332 0.00104 0.00140 0.00053 177 9 C 1S -0.00135 -0.00429 -0.00189 -0.00054 0.00155 178 2S 0.01120 0.01143 0.00485 0.00152 -0.00438 179 3S -0.06775 0.00661 -0.00546 0.00112 0.00205 180 4PX -0.00746 0.00036 -0.00884 0.00217 -0.00245 181 4PY 0.00772 0.01128 0.00099 0.00169 -0.00369 182 4PZ 0.01165 -0.01119 0.00178 0.00067 0.00068 183 5PX 0.00526 0.01436 -0.00012 0.00173 -0.00259 184 5PY -0.02701 -0.00491 -0.00301 0.00053 0.00114 185 5PZ -0.00509 -0.00957 0.00035 -0.00289 0.00261 186 10 O 1S 0.00004 0.00126 -0.00025 0.00021 -0.00025 187 2S -0.00057 -0.00330 0.00028 -0.00057 0.00085 188 3S 0.00588 -0.00816 0.00106 -0.00074 0.00064 189 4PX 0.00342 0.00183 0.00701 -0.00179 0.00231 190 4PY -0.00057 -0.00926 0.00168 -0.00099 0.00163 191 4PZ -0.00821 0.00989 -0.00067 -0.00091 0.00028 192 5PX 0.00036 -0.00419 0.00373 -0.00156 0.00199 193 5PY 0.00785 -0.00318 0.00124 -0.00033 0.00032 194 5PZ -0.00292 0.00769 -0.00051 0.00047 -0.00110 21 22 23 24 25 21 8D+2 0.15480 22 8D-2 -0.00057 0.15643 23 2 Cu 1S 0.00065 -0.00057 1.99605 24 2S -0.01327 -0.00982 -0.00157 0.28740 25 3S -0.09605 -0.02368 0.03423 0.07365 0.66707 26 4PX -0.00188 0.00395 0.00165 0.00798 -0.00398 27 4PY 0.00426 0.00181 -0.00243 -0.00869 0.00389 28 4PZ 0.00006 0.00143 -0.00058 -0.00511 -0.01538 29 5PX 0.01784 -0.00005 -0.01017 -0.04540 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-0.00083 -0.00134 -0.00055 -0.00796 -0.02036 110 8D-2 0.00054 -0.00060 0.00003 -0.00349 -0.02214 111 6 Cu 1S -0.00124 -0.00101 0.00147 0.00000 -0.00048 112 2S -0.00542 -0.01620 0.00106 -0.08799 -0.01979 113 3S 0.01995 -0.07971 0.00394 0.02319 0.07535 114 4PX -0.00024 0.00350 0.00140 0.00494 0.01240 115 4PY 0.00576 0.00130 -0.00192 0.00536 -0.01252 116 4PZ 0.00032 -0.00031 0.00031 0.00666 -0.00881 117 5PX 0.01997 -0.02913 0.00091 -0.00244 -0.00716 118 5PY -0.01997 0.01435 -0.00094 -0.02216 0.00591 119 5PZ 0.00178 0.00552 0.00040 -0.01728 -0.00774 120 6PX 0.00424 -0.00492 0.00287 0.01938 0.03702 121 6PY 0.01059 0.01231 0.00055 -0.01987 -0.04281 122 6PZ -0.00331 0.00097 0.00121 0.01274 0.01301 123 7D 0 0.00308 -0.00003 0.00146 0.01327 0.05476 124 7D+1 0.00361 0.00173 0.00088 0.01438 -0.02413 125 7D-1 0.00232 0.00035 -0.00054 0.00535 -0.02852 126 7D+2 0.00213 0.00757 0.00067 0.01318 0.02139 127 7D-2 0.00856 0.00042 0.00198 0.01796 0.13597 128 8D 0 0.00089 0.00077 0.00030 0.00551 0.02059 129 8D+1 0.00162 0.00101 0.00032 0.00383 -0.00884 130 8D-1 0.00085 0.00021 -0.00016 0.00108 -0.01051 131 8D+2 -0.00011 0.00120 0.00013 0.00511 0.00918 132 8D-2 0.00032 -0.00030 0.00030 0.00857 0.04940 133 7 Cu 1S 0.00050 -0.00107 -0.00331 -0.00739 -0.00684 134 2S 0.00568 0.00241 -0.00386 0.11855 0.04219 135 3S 0.03173 0.06082 -0.00980 -0.01952 -0.21706 136 4PX 0.00102 -0.00406 -0.00174 -0.02388 -0.03784 137 4PY -0.00450 -0.00259 0.00209 0.01802 -0.00538 138 4PZ 0.00042 0.00251 0.00078 0.00925 0.02337 139 5PX 0.02008 0.02531 -0.00454 0.02635 -0.05196 140 5PY -0.00267 0.02376 0.00145 -0.03789 0.00430 141 5PZ -0.00189 -0.00835 0.00289 -0.00572 0.02681 142 6PX 0.00007 0.00269 -0.00229 -0.00894 -0.03606 143 6PY -0.00014 0.00580 0.00205 -0.02119 0.01072 144 6PZ -0.00895 -0.00245 0.00118 0.00940 0.05010 145 7D 0 -0.00155 -0.00510 -0.00076 -0.02978 -0.08400 146 7D+1 -0.00515 0.00417 0.00125 -0.04509 -0.21682 147 7D-1 0.00806 -0.00081 -0.00016 0.02988 0.16975 148 7D+2 0.00814 -0.00275 -0.00285 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0.00229 188 3S 0.00183 -0.00282 0.01520 0.00429 0.03145 189 4PX 0.00072 0.00012 0.00195 0.02101 0.01023 190 4PY 0.00269 -0.00327 0.00074 -0.04983 -0.01880 191 4PZ -0.00280 0.00308 -0.00183 -0.01969 -0.01719 192 5PX 0.00017 -0.00185 0.00155 0.00857 0.00451 193 5PY 0.00296 -0.00098 -0.00182 -0.00597 -0.00185 194 5PZ -0.00123 0.00245 -0.00167 -0.01115 -0.01027 26 27 28 29 30 26 4PX 1.99797 27 4PY -0.00453 2.01128 28 4PZ -0.00308 0.00316 1.99837 29 5PX 0.02540 0.01053 0.00965 0.11677 30 5PY 0.00198 -0.00468 -0.01029 -0.07558 0.26568 31 5PZ 0.00853 -0.01037 0.02968 -0.04115 0.03760 32 6PX -0.01452 -0.00411 0.00094 0.00508 -0.03010 33 6PY -0.00107 -0.00488 -0.00226 -0.01548 0.03017 34 6PZ -0.00467 -0.00152 -0.01983 0.00506 0.04403 35 7D 0 -0.00193 0.01186 0.00722 -0.02078 -0.04142 36 7D+1 -0.00055 0.00335 -0.00149 0.00229 0.00205 37 7D-1 0.00504 -0.01294 0.00702 -0.01201 0.05163 38 7D+2 -0.01086 0.01268 0.00688 0.08529 -0.00757 39 7D-2 0.00356 0.01423 0.00487 -0.04646 -0.05859 40 8D 0 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0.00324 0.03334 -0.01076 -0.02361 194 5PZ -0.02564 -0.00250 -0.01213 0.08146 0.03853 36 37 38 39 40 36 7D+1 1.51900 37 7D-1 0.01879 1.46729 38 7D+2 0.01529 -0.00207 1.47660 39 7D-2 -0.00926 -0.00724 0.02548 1.47756 40 8D 0 0.00125 -0.00284 -0.00172 0.00029 0.15108 41 8D+1 0.47436 0.00029 0.00169 0.00062 0.00019 42 8D-1 0.00071 0.47412 -0.00139 -0.00160 -0.00001 43 8D+2 0.00251 -0.00190 0.47259 0.00402 0.00243 44 8D-2 0.00038 -0.00158 0.00397 0.47390 0.00198 45 3 Cu 1S -0.00158 0.00061 0.00180 0.00018 0.00075 46 2S -0.03132 -0.01831 -0.00645 0.01254 0.00420 47 3S -0.20638 -0.11363 -0.06398 0.03549 0.03859 48 4PX 0.00432 -0.00741 -0.00944 -0.00330 0.00203 49 4PY -0.01081 -0.01259 0.00578 0.00697 0.00454 50 4PZ 0.00718 0.01333 0.00827 -0.00929 0.00261 51 5PX 0.01214 0.03163 0.03973 -0.00084 -0.01129 52 5PY 0.05050 0.04180 -0.00219 -0.01845 -0.01666 53 5PZ -0.04218 -0.06102 -0.02360 0.03408 0.00187 54 6PX -0.00714 0.00823 -0.01880 0.00326 0.00326 55 6PY -0.01931 -0.02810 -0.01136 0.03219 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-0.00648 -0.00126 0.00870 -0.00127 0.00018 155 8 Cu 1S 0.00071 -0.00331 0.00126 0.00088 0.00008 156 2S 0.01067 -0.03396 0.02948 0.01789 0.00400 157 3S 0.08995 -0.01847 0.03312 0.00941 -0.01573 158 4PX -0.00040 -0.00258 0.00065 0.00233 0.00113 159 4PY -0.00111 0.00237 -0.00425 -0.00184 -0.00102 160 4PZ 0.00123 0.00108 0.00082 0.00095 0.00074 161 5PX -0.00383 0.00312 -0.00091 -0.00791 -0.00297 162 5PY -0.00891 0.00683 0.00765 -0.00495 0.00310 163 5PZ -0.01142 -0.00185 0.00422 -0.01150 0.00110 164 6PX 0.03005 -0.02018 0.02140 -0.02969 -0.00221 165 6PY 0.00500 0.03077 0.02734 0.01015 0.00429 166 6PZ -0.00814 -0.02232 -0.01693 -0.00884 -0.00267 167 7D 0 -0.00425 0.00364 0.00079 0.00265 0.00176 168 7D+1 0.00243 0.00790 -0.00495 -0.00044 -0.00114 169 7D-1 -0.00077 -0.01118 0.00810 0.00706 0.00154 170 7D+2 -0.00765 0.00748 -0.00591 -0.00821 0.00064 171 7D-2 0.00596 0.00719 -0.00287 0.00229 -0.00150 172 8D 0 -0.00091 0.00236 0.00029 0.00146 0.00083 173 8D+1 0.00142 0.00252 -0.00197 -0.00006 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-0.00044 61 7D-2 -0.00014 0.00011 -0.00165 -0.00301 0.00064 62 8D 0 0.00057 -0.00004 0.00172 0.00065 -0.00117 63 8D+1 -0.00017 0.00055 0.00009 0.00061 0.00050 64 8D-1 0.00038 -0.00074 0.00130 0.00029 -0.00083 65 8D+2 -0.00043 -0.00043 0.00106 0.00208 0.00004 66 8D-2 0.00090 -0.00061 -0.00174 -0.00197 0.00029 67 4 Cu 1S 0.00061 -0.00006 0.00102 0.00046 -0.00216 68 2S 0.01157 0.00278 -0.00272 -0.01017 -0.00836 69 3S 0.06007 -0.01585 0.01342 -0.03200 -0.00647 70 4PX -0.00187 0.00212 0.00289 0.00292 -0.00357 71 4PY 0.00318 0.00066 0.00293 -0.00049 -0.00076 72 4PZ 0.00016 -0.00050 -0.00003 0.00292 0.00025 73 5PX 0.01816 -0.00813 0.00463 -0.01797 -0.00386 74 5PY -0.01833 0.00614 -0.00627 0.00608 -0.00059 75 5PZ 0.00839 -0.00960 0.00174 -0.01172 -0.00158 76 6PX -0.00793 0.02054 -0.00086 0.01307 0.00494 77 6PY 0.00763 -0.01833 0.00190 -0.01672 -0.00101 78 6PZ 0.01985 -0.01275 0.00630 -0.00798 -0.00403 79 7D 0 0.00306 -0.00488 -0.00051 0.00507 0.00141 80 7D+1 -0.00365 -0.00106 0.00319 0.00327 -0.00539 81 7D-1 0.00080 -0.00009 0.00271 -0.00296 -0.00065 82 7D+2 0.00132 0.00200 0.00525 -0.00007 -0.00024 83 7D-2 0.00269 0.00025 0.00585 0.00042 -0.00062 84 8D 0 0.00006 -0.00136 -0.00046 0.00084 0.00046 85 8D+1 -0.00126 -0.00046 0.00053 0.00032 -0.00194 86 8D-1 0.00021 -0.00040 -0.00019 -0.00106 -0.00038 87 8D+2 0.00003 -0.00031 -0.00009 -0.00109 -0.00023 88 8D-2 -0.00006 0.00046 0.00211 0.00014 -0.00025 89 5 Cu 1S 0.00086 -0.00063 0.00074 0.00064 0.00114 90 2S 0.00663 0.00526 -0.00663 -0.00460 -0.00016 91 3S 0.02371 0.02060 -0.00637 -0.00525 0.00102 92 4PX -0.00482 0.00058 -0.00111 -0.00149 0.00048 93 4PY 0.00054 -0.00240 0.00060 -0.00048 0.00067 94 4PZ 0.00072 0.00331 -0.00210 -0.00014 -0.00232 95 5PX 0.00879 -0.00154 0.00641 0.00238 0.00026 96 5PY -0.00553 0.00219 0.00166 -0.00147 0.00066 97 5PZ -0.00622 -0.02084 0.00411 -0.00401 -0.00146 98 6PX -0.00459 -0.00818 -0.00336 -0.00539 0.00048 99 6PY 0.00105 0.01942 0.01256 0.01137 -0.00386 100 6PZ -0.00164 0.01431 0.00526 0.00611 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0.00000 -0.00004 109 8D+2 0.00000 0.00026 0.00019 0.00000 0.00000 110 8D-2 0.00000 -0.00005 0.00003 -0.00002 0.00000 111 6 Cu 1S 0.00000 -0.00029 -0.00021 0.00000 0.00000 112 2S -0.00025 0.01771 -0.00170 -0.00119 -0.00026 113 3S -0.00091 0.00308 -0.09918 -0.00063 0.00009 114 4PX 0.00000 -0.00058 -0.00133 0.00000 0.00000 115 4PY 0.00000 -0.00002 -0.00014 0.00000 0.00000 116 4PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 117 5PX -0.00056 0.01590 -0.01298 -0.00049 0.00005 118 5PY -0.00010 -0.00197 -0.00427 -0.00018 -0.00010 119 5PZ 0.00000 -0.00008 -0.00007 0.00000 0.00000 120 6PX -0.00021 -0.00071 -0.03154 0.00000 0.00008 121 6PY -0.00003 0.00066 -0.00774 -0.00003 0.00011 122 6PZ 0.00001 0.00004 0.00020 0.00000 0.00000 123 7D 0 0.00000 0.00026 0.00021 0.00000 0.00000 124 7D+1 0.00000 0.00001 0.00001 0.00000 0.00000 125 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 126 7D+2 0.00000 0.00032 0.00038 0.00000 0.00000 127 7D-2 0.00000 0.00013 0.00041 0.00000 0.00000 128 8D 0 0.00001 0.00105 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4PX 0.00002 0.00000 0.00000 0.00000 0.00000 181 4PY 0.00019 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00002 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00003 0.00000 0.00000 0.00000 0.00000 184 5PY 0.00004 0.00000 0.00000 0.00000 0.00000 185 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 10 O 1S -0.00001 0.00000 0.00000 0.00000 0.00000 187 2S 0.00007 0.00000 0.00000 0.00000 0.00000 188 3S 0.00029 0.00000 0.00000 0.00000 0.00000 189 4PX -0.00001 0.00000 0.00000 0.00000 0.00000 190 4PY -0.00009 0.00000 0.00000 0.00000 0.00000 191 4PZ 0.00001 0.00000 0.00000 0.00000 0.00000 192 5PX -0.00001 0.00000 0.00000 0.00000 0.00000 193 5PY -0.00016 0.00000 0.00000 0.00000 0.00000 194 5PZ 0.00002 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 7D-2 1.50184 172 8D 0 0.00000 0.16562 173 8D+1 0.00000 0.00000 0.16376 174 8D-1 0.00000 0.00000 0.00000 0.16517 175 8D+2 0.00000 0.00000 0.00000 0.00000 0.16369 176 8D-2 0.14722 0.00000 0.00000 0.00000 0.00000 177 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 184 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 185 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3S 0.00000 0.00000 0.00000 0.00000 0.00000 189 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 190 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 8D-2 0.16293 177 9 C 1S 0.00000 2.09439 178 2S 0.00000 -0.04980 0.51075 179 3S 0.00000 -0.03629 0.31331 0.43486 180 4PX 0.00000 0.00000 0.00000 0.00000 0.37275 181 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00000 0.00000 0.00000 0.00000 0.03433 184 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 185 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 -0.00034 0.00234 -0.00023 187 2S 0.00000 -0.00028 0.00227 -0.02975 0.00298 188 3S 0.00000 0.00130 -0.03741 -0.05832 -0.00056 189 4PX 0.00000 -0.00025 0.00355 0.00031 0.05929 190 4PY 0.00000 -0.00505 0.07322 0.00025 0.02089 191 4PZ 0.00000 -0.00011 0.00163 0.00018 0.00060 192 5PX 0.00000 -0.00010 0.00106 0.00027 0.05632 193 5PY 0.00000 -0.00252 0.02399 -0.00029 0.00565 194 5PZ 0.00000 -0.00005 0.00057 0.00014 0.00023 181 182 183 184 185 181 4PY 0.67343 182 4PZ 0.00000 0.36129 183 5PX 0.00000 0.00000 0.01789 184 5PY 0.00059 0.00000 0.00000 0.02708 185 5PZ 0.00000 0.03243 0.00000 0.00000 0.01585 186 10 O 1S -0.00483 -0.00011 0.00003 0.00043 0.00001 187 2S 0.06221 0.00134 -0.00012 -0.00017 -0.00005 188 3S -0.01079 -0.00027 0.00057 0.01283 0.00021 189 4PX 0.02080 0.00059 0.01087 -0.00019 0.00002 190 4PY 0.14465 0.00943 -0.00011 0.00104 -0.00004 191 4PZ 0.00938 0.06847 0.00003 -0.00013 0.01058 192 5PX 0.00574 0.00023 0.01062 0.00001 0.00004 193 5PY 0.00818 0.00254 0.00013 0.00192 0.00005 194 5PZ 0.00258 0.06157 0.00005 -0.00003 0.01065 186 187 188 189 190 186 10 O 1S 2.11861 187 2S -0.07079 0.60521 188 3S -0.04539 0.41313 0.53837 189 4PX 0.00000 0.00000 0.00000 0.84046 190 4PY 0.00000 0.00000 0.00000 0.00000 0.85521 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.16316 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.08603 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 191 4PZ 0.83917 192 5PX 0.00000 0.12858 193 5PY 0.00000 0.00000 0.04545 194 5PZ 0.16507 0.00000 0.00000 0.13042 Gross orbital populations: 1 1 1 Cu 1S 2.00247 2 2S 0.61919 3 3S -0.32216 4 4PX 1.99479 5 4PY 1.99495 6 4PZ 1.99509 7 5PX 0.20594 8 5PY 0.16876 9 5PZ 0.28576 10 6PX 0.01694 11 6PY -0.01237 12 6PZ 0.16135 13 7D 0 1.62966 14 7D+1 1.63281 15 7D-1 1.63851 16 7D+2 1.65132 17 7D-2 1.65587 18 8D 0 0.31917 19 8D+1 0.31958 20 8D-1 0.31751 21 8D+2 0.30928 22 8D-2 0.31186 23 2 Cu 1S 1.99779 24 2S 0.61954 25 3S -0.04577 26 4PX 1.99539 27 4PY 1.99614 28 4PZ 1.99511 29 5PX 0.23359 30 5PY 0.32487 31 5PZ 0.27207 32 6PX -0.02791 33 6PY 0.07086 34 6PZ -0.07442 35 7D 0 1.65217 36 7D+1 1.66376 37 7D-1 1.61300 38 7D+2 1.62082 39 7D-2 1.62255 40 8D 0 0.30456 41 8D+1 0.30329 42 8D-1 0.31174 43 8D+2 0.30630 44 8D-2 0.30873 45 3 Cu 1S 2.00506 46 2S 0.70736 47 3S 0.25021 48 4PX 1.99474 49 4PY 1.99464 50 4PZ 1.99426 51 5PX 0.07290 52 5PY 0.04313 53 5PZ 0.05141 54 6PX 0.02819 55 6PY -0.03327 56 6PZ 0.00586 57 7D 0 1.64551 58 7D+1 1.65201 59 7D-1 1.64002 60 7D+2 1.65112 61 7D-2 1.65603 62 8D 0 0.32467 63 8D+1 0.32487 64 8D-1 0.32433 65 8D+2 0.32271 66 8D-2 0.32381 67 4 Cu 1S 2.00473 68 2S 0.65765 69 3S 0.10924 70 4PX 1.99474 71 4PY 1.99481 72 4PZ 1.99446 73 5PX 0.16959 74 5PY 0.10728 75 5PZ 0.10801 76 6PX -0.00966 77 6PY -0.00671 78 6PZ 0.01504 79 7D 0 1.64985 80 7D+1 1.63545 81 7D-1 1.65062 82 7D+2 1.65535 83 7D-2 1.64174 84 8D 0 0.32104 85 8D+1 0.32263 86 8D-1 0.31889 87 8D+2 0.31893 88 8D-2 0.32077 89 5 Cu 1S 2.00509 90 2S 0.69254 91 3S 0.26590 92 4PX 1.99473 93 4PY 1.99476 94 4PZ 1.99428 95 5PX 0.07711 96 5PY 0.12863 97 5PZ 0.07022 98 6PX 0.01125 99 6PY -0.00190 100 6PZ 0.00532 101 7D 0 1.64453 102 7D+1 1.65601 103 7D-1 1.63618 104 7D+2 1.64366 105 7D-2 1.65765 106 8D 0 0.32231 107 8D+1 0.32270 108 8D-1 0.32390 109 8D+2 0.32259 110 8D-2 0.32149 111 6 Cu 1S 2.00524 112 2S 0.68879 113 3S 0.21663 114 4PX 1.99457 115 4PY 1.99471 116 4PZ 1.99477 117 5PX 0.07864 118 5PY 0.11392 119 5PZ 0.10131 120 6PX 0.01187 121 6PY 0.00640 122 6PZ -0.01153 123 7D 0 1.64514 124 7D+1 1.65292 125 7D-1 1.63982 126 7D+2 1.64481 127 7D-2 1.65479 128 8D 0 0.32425 129 8D+1 0.32177 130 8D-1 0.32400 131 8D+2 0.32095 132 8D-2 0.32179 133 7 Cu 1S 2.00378 134 2S 0.66358 135 3S 0.04706 136 4PX 1.99449 137 4PY 1.99453 138 4PZ 1.99485 139 5PX 0.12439 140 5PY 0.14958 141 5PZ 0.12942 142 6PX 0.02674 143 6PY 0.05420 144 6PZ 0.01820 145 7D 0 1.63946 146 7D+1 1.63833 147 7D-1 1.64127 148 7D+2 1.65932 149 7D-2 1.64309 150 8D 0 0.31918 151 8D+1 0.31827 152 8D-1 0.31882 153 8D+2 0.31358 154 8D-2 0.31686 155 8 Cu 1S 2.00454 156 2S 0.68185 157 3S 0.17254 158 4PX 1.99486 159 4PY 1.99453 160 4PZ 1.99438 161 5PX 0.09064 162 5PY 0.09950 163 5PZ 0.06295 164 6PX -0.01161 165 6PY 0.03214 166 6PZ -0.00078 167 7D 0 1.64526 168 7D+1 1.64036 169 7D-1 1.64710 170 7D+2 1.65743 171 7D-2 1.65182 172 8D 0 0.32469 173 8D+1 0.32407 174 8D-1 0.32388 175 8D+2 0.32078 176 8D-2 0.32165 177 9 C 1S 1.99854 178 2S 0.88629 179 3S 0.67870 180 4PX 0.57585 181 4PY 0.94222 182 4PZ 0.56232 183 5PX 0.09518 184 5PY 0.04200 185 5PZ 0.09074 186 10 O 1S 1.99922 187 2S 0.99124 188 3S 0.83615 189 4PX 1.09837 190 4PY 1.17824 191 4PZ 1.09538 192 5PX 0.36305 193 5PY 0.16637 194 5PZ 0.36949 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.866590 -0.341950 -0.139635 -0.016261 -0.153913 -0.094173 2 Cu -0.341950 19.416130 -0.030314 -0.103056 -0.039820 0.039099 3 Cu -0.139635 -0.030314 18.986010 -0.046108 0.076089 0.064091 4 Cu -0.016261 -0.103056 -0.046108 19.172980 0.025718 -0.089149 5 Cu -0.153913 -0.039820 0.076089 0.025718 19.095260 0.064726 6 Cu -0.094173 0.039099 0.064091 -0.089149 0.064726 19.068147 7 Cu -0.009366 -0.183765 0.105400 -0.066674 -0.008043 -0.001981 8 Cu -0.225539 0.102894 -0.035166 0.083025 0.029913 -0.003926 9 C 0.009899 0.163867 0.006065 0.019924 0.009269 -0.001238 10 O 0.000659 0.041094 -0.006859 -0.005934 -0.010243 -0.000038 7 8 9 10 1 Cu -0.009366 -0.225539 0.009899 0.000659 2 Cu -0.183765 0.102894 0.163867 0.041094 3 Cu 0.105400 -0.035166 0.006065 -0.006859 4 Cu -0.066674 0.083025 0.019924 -0.005934 5 Cu -0.008043 0.029913 0.009269 -0.010243 6 Cu -0.001981 -0.003926 -0.001238 -0.000038 7 Cu 19.180008 -0.006150 0.007116 -0.007541 8 Cu -0.006150 19.031035 -0.003240 -0.000264 9 C 0.007116 -0.003240 5.097446 0.562747 10 O -0.007541 -0.000264 0.562747 7.523896 Mulliken atomic charges: 1 1 Cu 0.103689 2 Cu -0.064179 3 Cu 0.020427 4 Cu 0.025534 5 Cu -0.088956 6 Cu -0.045557 7 Cu -0.009005 8 Cu 0.027419 9 C 0.128145 10 O -0.097518 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.103689 2 Cu -0.064179 3 Cu 0.020427 4 Cu 0.025534 5 Cu -0.088956 6 Cu -0.045557 7 Cu -0.009005 8 Cu 0.027419 9 C 0.128145 10 O -0.097518 Sum of Mulliken charges= 0.00000 Electronic spatial extent (au): = 4066.1675 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0868 Y= -0.0319 Z= -0.1530 Tot= 0.1788 Quadrupole moment (field-independent basis, Debye-Ang): XX= -116.1751 YY= -121.3073 ZZ= -107.3714 XY= -2.5005 XZ= -0.6326 YZ= 0.8871 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.2239 YY= -6.3560 ZZ= 7.5799 XY= -2.5005 XZ= -0.6326 YZ= 0.8871 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 39.9614 YYY= 312.8335 ZZZ= -98.0429 XYY= 6.6195 XXY= 95.0567 XXZ= -38.1944 XZZ= 17.2478 YZZ= 88.9668 YYZ= -30.8720 XYZ= -3.2478 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1070.8420 YYYY= -2789.0004 ZZZZ= -1407.3990 XXXY= 252.0232 XXXZ= 98.5930 YYYX= 326.0489 YYYZ= -164.3769 ZZZX= 103.2971 ZZZY= -118.9754 XXYY= -599.4388 XXZZ= -406.6804 YYZZ= -651.3905 XXYZ= -50.8917 YYXZ= 51.3344 ZZXY= 81.2050 N-N= 2.111906034655D+03 E-N=-8.333472502763D+03 KE= 1.132122224167D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.27411 29.12433 2 O -10.35428 15.96889 3 O -4.34375 2.68661 4 O -4.30933 2.68705 5 O -4.29639 2.68705 6 O -4.29430 2.68716 7 O -4.28933 2.68747 8 O -4.28802 2.68746 9 O -4.28738 2.68652 10 O -4.28696 2.68823 11 O -2.85534 5.08078 12 O -2.84780 5.08645 13 O -2.84672 5.08891 14 O -2.81851 5.07977 15 O -2.81607 5.08568 16 O -2.81433 5.08243 17 O -2.80478 5.07872 18 O -2.80381 5.08470 19 O -2.80280 5.08380 20 O -2.80196 5.09511 21 O -2.80165 5.08399 22 O -2.80006 5.08134 23 O -2.79781 5.08793 24 O -2.79745 5.08556 25 O -2.79690 5.08227 26 O -2.79654 5.08640 27 O -2.79549 5.08703 28 O -2.79528 5.09036 29 O -2.79473 5.08938 30 O -2.79464 5.08454 31 O -2.79388 5.08965 32 O -2.79379 5.09529 33 O -2.79307 5.09052 34 O -2.79276 5.09141 35 O -1.19046 2.85862 36 O -0.58944 2.51865 37 O -0.48623 2.05551 38 O -0.48596 2.03318 39 O -0.47709 2.37945 40 O -0.36396 1.84643 41 O -0.34078 7.64306 42 O -0.33414 7.95053 43 O -0.32671 7.89160 44 O -0.32393 8.17737 45 O -0.32241 8.47702 46 O -0.32174 8.17720 47 O -0.31518 7.57229 48 O -0.31325 8.25610 49 O -0.30804 8.49931 50 O -0.30140 8.43276 51 O -0.29755 8.47494 52 O -0.29453 8.62662 53 O -0.29217 8.70260 54 O -0.29103 8.87691 55 O -0.28803 8.43495 56 O -0.28540 8.45680 57 O -0.28353 8.86878 58 O -0.28121 8.56057 59 O -0.27848 8.73335 60 O -0.27663 9.03724 61 O -0.27540 8.99648 62 O -0.27123 8.91994 63 O -0.26982 8.89195 64 O -0.26740 9.15496 65 O -0.26529 9.38811 66 O -0.26513 9.28221 67 O -0.26357 9.42456 68 O -0.26311 9.23986 69 O -0.26220 9.35551 70 O -0.26061 9.43321 71 O -0.25952 9.38110 72 O -0.25859 9.40230 73 O -0.25749 9.53017 74 O -0.25666 9.56656 75 O -0.25440 9.56796 76 O -0.25340 9.64036 77 O -0.25156 9.54854 78 O -0.25068 9.62759 79 O -0.24940 9.64490 80 O -0.24696 9.61140 81 O -0.22022 3.55847 82 O -0.19551 2.70395 83 O -0.17704 1.98639 84 V -0.10042 1.53467 85 V -0.08849 1.72987 86 V -0.08178 1.34507 87 V -0.07484 1.01321 88 V -0.05765 1.53518 89 V -0.04991 1.12309 90 V -0.03818 0.58431 91 V -0.02482 0.87415 92 V -0.01851 0.61392 93 V -0.00348 0.52579 94 V 0.00349 0.54441 95 V 0.01709 0.61093 96 V 0.01819 0.41810 97 V 0.02573 0.46735 98 V 0.02993 0.52200 99 V 0.03391 0.37039 100 V 0.03596 0.41414 101 V 0.04058 0.33085 102 V 0.04143 0.34575 103 V 0.04411 0.38209 104 V 0.04890 0.34886 105 V 0.05361 0.42775 106 V 0.05578 0.39066 107 V 0.05684 0.35461 108 V 0.06340 0.44391 109 V 0.07223 0.34375 110 V 0.07683 0.37905 111 V 0.07830 0.34646 112 V 0.08196 0.35591 113 V 0.08368 0.29250 114 V 0.08453 0.29937 115 V 0.08762 0.30546 116 V 0.08988 0.46449 117 V 0.09490 0.40545 118 V 0.10253 0.49310 119 V 0.10380 0.36112 120 V 0.10641 0.47344 121 V 0.12663 0.50448 122 V 0.14263 0.92549 123 V 0.15113 1.05701 124 V 0.17472 0.95720 125 V 0.18474 1.12996 126 V 0.19840 1.15501 127 V 0.20503 1.05940 128 V 0.22147 1.34667 129 V 0.24202 1.29338 130 V 0.25582 1.43105 131 V 0.26913 1.31638 132 V 0.26988 1.37203 133 V 0.27995 1.31918 134 V 0.29351 1.37367 135 V 0.30303 1.56831 136 V 0.31203 1.68610 137 V 0.33141 1.22188 138 V 0.33637 1.65914 139 V 0.38706 1.39218 140 V 0.41188 1.40499 141 V 0.53429 2.71668 142 V 0.62043 4.21881 143 V 0.64335 4.09362 144 V 0.64668 3.92876 145 V 0.65533 4.14596 146 V 0.66973 3.48497 147 V 0.67933 4.05598 148 V 0.71014 3.90981 149 V 0.72095 3.77355 150 V 0.73992 4.07297 151 V 0.74648 3.81553 152 V 0.75095 4.01879 153 V 0.77018 4.36127 154 V 0.78431 4.15614 155 V 0.78707 3.96375 156 V 0.80472 4.09348 157 V 0.83430 3.82702 158 V 0.84999 4.44585 159 V 0.85916 3.71290 160 V 0.86797 4.30884 161 V 0.88100 4.33960 162 V 0.89653 4.23720 163 V 0.92902 4.34074 164 V 0.96227 4.25424 165 V 0.97733 4.36992 166 V 0.99882 4.36136 167 V 1.03462 4.43665 168 V 1.03965 4.42501 169 V 1.04651 4.48373 170 V 1.06222 4.39145 171 V 1.08739 4.51470 172 V 1.11117 4.23903 173 V 1.13641 4.26453 174 V 1.18587 4.36083 175 V 1.23475 4.52271 176 V 1.24434 4.61499 177 V 1.26938 4.51159 178 V 1.27359 4.55852 179 V 1.29437 4.63816 180 V 1.30052 4.58861 181 V 1.30809 4.58876 182 V 1.32597 4.63255 183 V 1.33153 4.66028 184 V 1.34633 4.72902 185 V 1.37914 4.79805 186 V 1.61211 3.36101 187 V 1.62791 2.22679 188 V 1.85521 2.19546 189 V 1.87851 1.90718 190 V 1.99217 1.86595 191 V 2.05914 1.93702 192 V 3.09999 1.53431 193 V 4.17435 1.57182 194 V 10.44262 2.94982 Total kinetic energy from orbitals= 1.132122224167D+03 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sat Apr 12 10:10:07 2008, MaxMem= 12582912 cpu: 2.7 (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= 2775 NPrTT= 15425 LenC2= 2735 LenP2D= 11351. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 701 at Sat Apr 12 10:10:13 2008, MaxMem= 12582912 cpu: 21.2 (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 10:10:14 2008, MaxMem= 12582912 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 10:10:53 2008, MaxMem= 12582912 cpu: 105.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole = 3.41506889D-02-1.25480499D-02-6.02056217D-02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000011571 -0.000108107 -0.000026015 2 29 0.000130787 0.000097165 -0.000040748 3 29 -0.000008687 0.000076663 0.000138995 4 29 0.000029595 -0.000042488 -0.000135658 5 29 0.000012663 -0.000006052 0.000003366 6 29 0.000012127 0.000010766 0.000091899 7 29 -0.000130415 0.000021818 0.000219684 8 29 0.000021224 0.000003976 -0.000153306 9 6 -0.000153949 -0.000019176 -0.000404230 10 8 0.000075085 -0.000034565 0.000306012 ------------------------------------------------------------------- Cartesian Forces: Max 0.000404230 RMS 0.000125650 Leave Link 716 at Sat Apr 12 10:10:53 2008, MaxMem= 12582912 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000136644 RMS 0.000040902 Search for a local minimum. Step number 1 out of a maximum of 70 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- first step. Eigenvalues --- 0.00304 0.03758 0.06814 0.07442 0.07813 Eigenvalues --- 0.08138 0.08302 0.08522 0.08771 0.09280 Eigenvalues --- 0.09605 0.09901 0.10624 0.11021 0.11770 Eigenvalues --- 0.12151 0.13978 0.14934 0.16153 0.17670 Eigenvalues --- 0.17898 0.23818 0.24307 1.216551000.00000 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 --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 RFO step: Lambda=-1.05130030D-06. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00038266 RMS(Int)= 0.00000099 Iteration 2 RMS(Cart)= 0.00000076 RMS(Int)= 0.00000028 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.83050 -0.00007 0.00000 -0.00049 -0.00049 4.83000 R2 4.54276 -0.00014 0.00000 -0.00128 -0.00128 4.54148 R3 4.73744 0.00001 0.00000 0.00030 0.00030 4.73774 R4 4.66676 0.00000 0.00000 0.00003 0.00003 4.66679 R5 4.82670 -0.00001 0.00000 0.00004 0.00004 4.82674 R6 4.98111 0.00004 0.00000 0.00045 0.00045 4.98156 R7 4.53900 -0.00009 0.00000 -0.00090 -0.00090 4.53810 R8 4.86067 0.00000 0.00000 -0.00024 -0.00024 4.86043 R9 4.76436 0.00010 0.00000 0.00089 0.00089 4.76525 R10 3.60435 0.00004 0.00000 0.00026 0.00026 3.60460 R11 4.80520 0.00004 0.00000 0.00039 0.00039 4.80559 R12 4.63273 0.00011 0.00000 0.00106 0.00106 4.63379 R13 4.65899 -0.00001 0.00000 -0.00008 -0.00008 4.65891 R14 4.95583 0.00002 0.00000 0.00027 0.00027 4.95610 R15 4.66480 -0.00006 0.00000 -0.00056 -0.00056 4.66424 R16 2.21040 0.00000 0.00000 0.00000 0.00000 2.21040 A1 1.08080 -0.00003 0.00000 -0.00016 -0.00016 1.08065 A2 1.07508 0.00002 0.00000 0.00014 0.00014 1.07522 A3 1.91412 -0.00001 0.00000 -0.00005 -0.00005 1.91407 A4 2.09118 0.00004 0.00000 0.00034 0.00034 2.09152 A5 1.10264 0.00003 0.00000 0.00027 0.00027 1.10291 A6 2.06528 0.00003 0.00000 0.00016 0.00015 2.06544 A7 2.03968 0.00002 0.00000 0.00020 0.00020 2.03987 A8 1.90127 0.00007 0.00000 0.00057 0.00057 1.90184 A9 3.07366 -0.00001 0.00000 -0.00010 -0.00010 3.07356 A10 1.89407 0.00000 0.00000 -0.00002 -0.00002 1.89405 A11 1.99883 0.00001 0.00000 0.00012 0.00012 1.99895 A12 1.82204 0.00000 0.00000 -0.00005 -0.00005 1.82199 A13 1.01856 -0.00001 0.00000 -0.00011 -0.00011 1.01845 A14 1.24040 -0.00001 0.00000 -0.00002 -0.00002 1.24039 A15 1.87353 0.00002 0.00000 0.00014 0.00014 1.87367 A16 1.94744 0.00003 0.00000 0.00026 0.00026 1.94769 A17 2.35193 -0.00003 0.00000 -0.00018 -0.00018 2.35175 A18 1.06250 -0.00003 0.00000 -0.00023 -0.00023 1.06227 A19 1.22799 -0.00002 0.00000 -0.00010 -0.00010 1.22789 A20 1.93686 -0.00001 0.00000 -0.00003 -0.00003 1.93684 A21 1.10253 -0.00006 0.00000 -0.00044 -0.00044 1.10209 A22 1.08474 0.00000 0.00000 -0.00002 -0.00002 1.08471 A23 1.92816 -0.00003 0.00000 -0.00023 -0.00023 1.92793 A24 1.78780 0.00001 0.00000 0.00004 0.00004 1.78785 A25 3.04422 0.00001 0.00000 -0.00034 -0.00034 3.04388 A26 3.19229 0.00000 0.00000 -0.00003 -0.00003 3.19226 A27 3.50443 -0.00004 0.00000 -0.00014 -0.00014 3.50430 D1 2.61853 0.00001 0.00000 0.00363 0.00363 2.62216 D2 -1.43999 0.00002 0.00000 0.00364 0.00364 -1.43636 D3 -3.07443 0.00001 0.00000 0.00360 0.00360 -3.07083 D4 -1.84982 0.00000 0.00000 0.00359 0.00359 -1.84623 D5 0.58631 0.00008 0.00000 0.00064 0.00064 0.58696 D6 -1.77480 0.00006 0.00000 0.00044 0.00044 -1.77436 D7 -2.00484 0.00002 0.00000 0.00005 0.00005 -2.00480 D8 1.91723 0.00000 0.00000 -0.00016 -0.00016 1.91707 D9 -2.88529 -0.00004 0.00000 -0.00079 -0.00079 -2.88608 D10 -0.31047 0.00001 0.00000 -0.00020 -0.00020 -0.31067 D11 0.88170 0.00003 0.00000 0.00035 0.00035 0.88205 D12 -2.41216 0.00000 0.00000 0.00009 0.00009 -2.41207 D13 -1.68589 -0.00003 0.00000 -0.00018 -0.00018 -1.68607 D14 2.28036 -0.00006 0.00000 -0.00057 -0.00057 2.27979 D15 1.54585 0.00000 0.00000 -0.00010 -0.00010 1.54575 D16 -0.42443 0.00000 0.00000 0.00006 0.00006 -0.42436 D17 -0.34876 -0.00004 0.00000 -0.00046 -0.00046 -0.34922 Item Value Threshold Converged? Maximum Force 0.000137 0.000450 YES RMS Force 0.000041 0.000300 YES Maximum Displacement 0.001245 0.001800 YES RMS Displacement 0.000383 0.001200 YES Predicted change in Energy=-5.257356D-07 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 2.5562 -DE/DX = -0.0001 ! ! R2 R(1,3) 2.4039 -DE/DX = -0.0001 ! ! R3 R(1,4) 2.5069 -DE/DX = 0.0 ! ! R4 R(1,5) 2.4695 -DE/DX = 0.0 ! ! R5 R(1,6) 2.5542 -DE/DX = 0.0 ! ! R6 R(1,7) 2.6359 -DE/DX = 0.0 ! ! R7 R(1,8) 2.4019 -DE/DX = -0.0001 ! ! R8 R(2,3) 2.5722 -DE/DX = 0.0 ! ! R9 R(2,7) 2.5212 -DE/DX = 0.0001 ! ! R10 R(2,9) 1.9073 -DE/DX = 0.0 ! ! R11 R(4,6) 2.5428 -DE/DX = 0.0 ! ! R12 R(4,7) 2.4515 -DE/DX = 0.0001 ! ! R13 R(5,7) 2.4654 -DE/DX = 0.0 ! ! R14 R(5,8) 2.6225 -DE/DX = 0.0 ! ! R15 R(6,8) 2.4685 -DE/DX = -0.0001 ! ! R16 R(9,10) 1.1697 -DE/DX = 0.0 ! ! A1 A(2,1,4) 61.9254 -DE/DX = 0.0 ! ! A2 A(2,1,5) 61.5975 -DE/DX = 0.0 ! ! A3 A(2,1,6) 109.6711 -DE/DX = 0.0 ! ! A4 A(2,1,8) 119.8159 -DE/DX = 0.0 ! ! A5 A(3,1,4) 63.1767 -DE/DX = 0.0 ! ! A6 A(3,1,5) 118.3319 -DE/DX = 0.0 ! ! A7 A(3,1,6) 116.8648 -DE/DX = 0.0 ! ! A8 A(3,1,7) 108.9347 -DE/DX = 0.0001 ! ! A9 A(3,1,8) 176.1076 -DE/DX = 0.0 ! ! A10 A(4,1,5) 108.5225 -DE/DX = 0.0 ! ! A11 A(4,1,8) 114.5247 -DE/DX = 0.0 ! ! A12 A(5,1,6) 104.3951 -DE/DX = 0.0 ! ! A13 A(6,1,7) 58.3591 -DE/DX = 0.0 ! ! A14 A(7,1,8) 71.0698 -DE/DX = 0.0 ! ! A15 A(3,2,7) 107.3452 -DE/DX = 0.0 ! ! A16 A(3,2,9) 111.5799 -DE/DX = 0.0 ! ! A17 A(7,2,9) 134.7557 -DE/DX = 0.0 ! ! A18 A(6,4,7) 60.8768 -DE/DX = 0.0 ! ! A19 A(7,5,8) 70.3586 -DE/DX = 0.0 ! ! A20 A(4,6,8) 110.9741 -DE/DX = 0.0 ! ! A21 A(2,7,4) 63.1705 -DE/DX = -0.0001 ! ! A22 A(2,7,5) 62.151 -DE/DX = 0.0 ! ! A23 A(4,7,5) 110.4755 -DE/DX = 0.0 ! ! A24 A(5,8,6) 102.4335 -DE/DX = 0.0 ! ! A25 A(2,9,10) 174.4208 -DE/DX = 0.0 ! ! A26 L(1,2,9,5,-1) 182.905 -DE/DX = 0.0 ! ! A27 L(1,2,9,5,-2) 200.7892 -DE/DX = 0.0 ! ! D1 D(4,1,9,10) 150.0307 -DE/DX = 0.0 ! ! D2 D(5,1,9,10) -82.5056 -DE/DX = 0.0 ! ! D3 D(6,1,9,10) -176.152 -DE/DX = 0.0 ! ! D4 D(8,1,9,10) -105.9866 -DE/DX = 0.0 ! ! D5 D(3,2,7,4) 33.5931 -DE/DX = 0.0001 ! ! D6 D(3,2,7,5) -101.6886 -DE/DX = 0.0001 ! ! D7 D(9,2,7,4) -114.8691 -DE/DX = 0.0 ! ! D8 D(9,2,7,5) 109.8491 -DE/DX = 0.0 ! ! D9 D(3,2,9,10) -165.315 -DE/DX = 0.0 ! ! D10 D(7,2,9,10) -17.7884 -DE/DX = 0.0 ! ! D11 D(7,4,6,8) 50.5175 -DE/DX = 0.0 ! ! D12 D(6,4,7,2) -138.2066 -DE/DX = 0.0 ! ! D13 D(6,4,7,5) -96.5945 -DE/DX = 0.0 ! ! D14 D(8,5,7,2) 130.6549 -DE/DX = -0.0001 ! ! D15 D(8,5,7,4) 88.5707 -DE/DX = 0.0 ! ! D16 D(7,5,8,6) -24.3178 -DE/DX = 0.0 ! ! D17 D(4,6,8,5) -19.9824 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Largest change from initial coordinates is atom 0 0.000 Angstoms. Leave Link 103 at Sat Apr 12 10:10:54 2008, MaxMem= 12582912 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 0.514401 0.280432 0.256418 2 29 0 0.501366 -2.259686 -0.029469 3 29 0 1.300133 -0.609748 -1.833811 4 29 0 -1.206797 -0.727066 -1.262531 5 29 0 0.701095 -1.129824 2.275074 6 29 0 -1.885906 1.151902 0.310407 7 29 0 -1.478511 -1.209782 1.125602 8 29 0 -0.375826 1.261325 2.260077 9 6 0 1.028600 -4.048097 -0.431400 10 8 0 1.277055 -5.178730 -0.599092 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.556189 0.000000 3 Cu 2.403924 2.572154 0.000000 4 Cu 2.506946 2.605223 2.573872 0.000000 5 Cu 2.469544 2.574373 4.184765 4.039420 0.000000 6 Cu 2.554182 4.177740 4.225154 2.542803 3.969730 7 Cu 2.635889 2.521190 4.103538 2.451535 2.465433 8 Cu 2.401937 4.290571 4.803090 4.129525 2.622513 9 C 4.412897 1.907339 3.723269 4.088646 3.993568 10 O 5.578171 3.073594 4.732933 5.140718 4.998620 6 7 8 9 10 6 Cu 0.000000 7 Cu 2.531415 0.000000 8 Cu 2.468506 2.934163 0.000000 9 C 6.007047 4.094618 6.116080 0.000000 10 O 7.135013 5.130328 7.237484 1.169692 0.000000 Symmetry turned off by external request. Stoichiometry CCu8O Framework group C1[X(CCu8O)] Deg. of freedom 24 Full point group C1 Rotational constants (GHZ): 0.3954345 0.2549648 0.2151957 Leave Link 202 at Sat Apr 12 10:10:54 2008, MaxMem= 12582912 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27411 -10.35428 -4.34375 -4.30933 -4.29639 Alpha occ. eigenvalues -- -4.29430 -4.28933 -4.28802 -4.28738 -4.28696 Alpha occ. eigenvalues -- -2.85534 -2.84780 -2.84672 -2.81851 -2.81607 Alpha occ. eigenvalues -- -2.81433 -2.80478 -2.80381 -2.80280 -2.80196 Alpha occ. eigenvalues -- -2.80165 -2.80006 -2.79781 -2.79745 -2.79690 Alpha occ. eigenvalues -- -2.79654 -2.79549 -2.79528 -2.79473 -2.79464 Alpha occ. eigenvalues -- -2.79388 -2.79379 -2.79307 -2.79276 -1.19046 Alpha occ. eigenvalues -- -0.58944 -0.48623 -0.48596 -0.47709 -0.36396 Alpha occ. eigenvalues -- -0.34078 -0.33414 -0.32671 -0.32393 -0.32241 Alpha occ. eigenvalues -- -0.32174 -0.31518 -0.31325 -0.30804 -0.30140 Alpha occ. eigenvalues -- -0.29755 -0.29453 -0.29217 -0.29103 -0.28803 Alpha occ. eigenvalues -- -0.28540 -0.28353 -0.28121 -0.27848 -0.27663 Alpha occ. eigenvalues -- -0.27540 -0.27123 -0.26982 -0.26740 -0.26529 Alpha occ. eigenvalues -- -0.26513 -0.26357 -0.26311 -0.26220 -0.26061 Alpha occ. eigenvalues -- -0.25952 -0.25859 -0.25749 -0.25666 -0.25440 Alpha occ. eigenvalues -- -0.25340 -0.25156 -0.25068 -0.24940 -0.24696 Alpha occ. eigenvalues -- -0.22022 -0.19551 -0.17704 Alpha virt. eigenvalues -- -0.10042 -0.08849 -0.08178 -0.07484 -0.05765 Alpha virt. eigenvalues -- -0.04991 -0.03818 -0.02482 -0.01851 -0.00348 Alpha virt. eigenvalues -- 0.00349 0.01709 0.01819 0.02573 0.02993 Alpha virt. eigenvalues -- 0.03391 0.03596 0.04058 0.04143 0.04411 Alpha virt. eigenvalues -- 0.04890 0.05361 0.05578 0.05684 0.06340 Alpha virt. eigenvalues -- 0.07223 0.07683 0.07830 0.08196 0.08368 Alpha virt. eigenvalues -- 0.08453 0.08762 0.08988 0.09490 0.10253 Alpha virt. eigenvalues -- 0.10380 0.10641 0.12663 0.14263 0.15113 Alpha virt. eigenvalues -- 0.17472 0.18474 0.19840 0.20503 0.22147 Alpha virt. eigenvalues -- 0.24202 0.25582 0.26913 0.26988 0.27995 Alpha virt. eigenvalues -- 0.29351 0.30303 0.31203 0.33141 0.33637 Alpha virt. eigenvalues -- 0.38706 0.41188 0.53429 0.62043 0.64335 Alpha virt. eigenvalues -- 0.64668 0.65533 0.66973 0.67933 0.71014 Alpha virt. eigenvalues -- 0.72095 0.73992 0.74648 0.75095 0.77018 Alpha virt. eigenvalues -- 0.78431 0.78707 0.80472 0.83430 0.84999 Alpha virt. eigenvalues -- 0.85916 0.86797 0.88100 0.89653 0.92902 Alpha virt. eigenvalues -- 0.96227 0.97733 0.99882 1.03462 1.03965 Alpha virt. eigenvalues -- 1.04651 1.06222 1.08739 1.11117 1.13641 Alpha virt. eigenvalues -- 1.18587 1.23475 1.24434 1.26938 1.27359 Alpha virt. eigenvalues -- 1.29437 1.30052 1.30809 1.32597 1.33153 Alpha virt. eigenvalues -- 1.34633 1.37914 1.61211 1.62791 1.85521 Alpha virt. eigenvalues -- 1.87851 1.99217 2.05914 3.09999 4.17435 Alpha virt. eigenvalues -- 10.44262 Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.27411 -10.35428 -4.34375 -4.30933 -4.29639 1 1 Cu 1S -0.00005 0.00047 0.00090 1.00111 -0.00769 2 2S -0.00007 0.00074 -0.00128 0.00747 -0.00139 3 3S -0.00077 0.00457 -0.00428 0.01636 0.00078 4 4PX 0.00000 0.00001 -0.00001 0.00048 0.00010 5 4PY 0.00000 -0.00001 0.00013 0.00136 0.00006 6 4PZ 0.00000 0.00000 0.00001 -0.00041 0.00009 7 5PX 0.00002 -0.00019 -0.00012 -0.00395 0.00087 8 5PY 0.00012 -0.00202 0.00331 -0.00346 0.00038 9 5PZ -0.00001 -0.00028 0.00064 0.00058 0.00045 10 6PX -0.00046 -0.00175 0.00317 -0.00367 -0.00010 11 6PY 0.00078 0.00084 -0.00172 -0.00298 0.00012 12 6PZ -0.00030 0.00117 0.00051 0.00174 -0.00043 13 7D 0 0.00000 0.00001 0.00001 0.00061 -0.00001 14 7D+1 0.00000 0.00000 0.00000 -0.00003 -0.00004 15 7D-1 0.00000 0.00000 -0.00001 0.00038 -0.00004 16 7D+2 0.00000 0.00002 0.00004 -0.00015 -0.00002 17 7D-2 0.00000 0.00001 -0.00001 -0.00041 -0.00002 18 8D 0 0.00000 -0.00012 0.00015 -0.00042 0.00005 19 8D+1 0.00000 0.00000 0.00000 0.00008 0.00002 20 8D-1 -0.00001 0.00004 -0.00002 -0.00021 0.00007 21 8D+2 -0.00001 -0.00015 0.00009 0.00005 0.00002 22 8D-2 0.00002 -0.00003 0.00006 0.00033 -0.00003 23 2 Cu 1S 0.00034 0.00186 0.99882 -0.00293 -0.00199 24 2S 0.00043 0.00281 0.00350 -0.00143 -0.00128 25 3S 0.00079 0.00046 0.01352 -0.00191 -0.00208 26 4PX 0.00001 0.00002 0.00151 0.00000 0.00006 27 4PY -0.00003 -0.00010 -0.00190 -0.00010 -0.00008 28 4PZ 0.00000 -0.00001 -0.00125 -0.00001 0.00001 29 5PX -0.00005 0.00241 -0.00470 -0.00083 0.00102 30 5PY 0.00029 -0.00767 0.01343 -0.00162 0.00034 31 5PZ -0.00001 -0.00202 0.00238 0.00038 0.00163 32 6PX -0.00038 -0.00041 -0.00020 -0.00043 0.00072 33 6PY 0.00153 0.00093 -0.00183 -0.00082 -0.00040 34 6PZ 0.00024 0.00007 -0.00121 -0.00023 0.00043 35 7D 0 -0.00002 0.00000 -0.00065 0.00002 -0.00001 36 7D+1 0.00000 0.00001 -0.00011 0.00000 -0.00001 37 7D-1 0.00001 -0.00001 0.00046 -0.00002 0.00002 38 7D+2 -0.00003 0.00001 -0.00130 0.00004 -0.00002 39 7D-2 -0.00001 0.00002 -0.00080 0.00000 0.00001 40 8D 0 0.00011 -0.00024 0.00044 0.00004 0.00016 41 8D+1 0.00002 -0.00010 0.00010 -0.00001 -0.00008 42 8D-1 -0.00007 0.00023 -0.00037 0.00005 0.00001 43 8D+2 0.00018 -0.00047 0.00046 0.00004 0.00012 44 8D-2 0.00009 -0.00035 0.00022 -0.00002 0.00017 45 3 Cu 1S -0.00005 0.00001 0.00058 0.00571 0.00627 46 2S -0.00007 -0.00005 -0.00050 -0.00024 -0.00068 47 3S -0.00020 -0.00081 -0.00120 -0.00025 -0.00228 48 4PX 0.00000 0.00000 0.00004 0.00007 0.00011 49 4PY 0.00001 -0.00001 0.00005 -0.00001 0.00002 50 4PZ 0.00000 0.00001 -0.00007 -0.00012 -0.00006 51 5PX 0.00002 -0.00018 0.00001 -0.00051 0.00138 52 5PY 0.00000 0.00024 0.00109 -0.00048 -0.00048 53 5PZ -0.00003 -0.00016 -0.00091 0.00054 -0.00015 54 6PX 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-0.00091 0.00022 -0.00137 43 8D+2 0.00152 0.00009 0.00038 0.00003 -0.00069 44 8D-2 -0.00003 -0.00036 -0.00116 0.00094 0.00077 45 3 Cu 1S 0.00055 -0.00048 -0.00144 -0.00109 0.00031 46 2S 0.00142 -0.00099 -0.00096 -0.00099 0.00005 47 3S 0.00671 -0.00479 -0.00786 -0.01414 -0.00063 48 4PX 0.00067 0.00516 -0.04955 -0.03320 0.02433 49 4PY 0.00623 0.00080 -0.00728 0.00114 -0.00068 50 4PZ 0.00790 0.00258 0.02231 0.01540 -0.00888 51 5PX -0.00220 0.00282 0.00284 0.00317 0.00006 52 5PY 0.00085 -0.00121 -0.00014 -0.00160 0.00116 53 5PZ 0.00250 -0.00125 0.00222 -0.00076 -0.00067 54 6PX 0.00060 0.00142 -0.00596 -0.00079 0.00292 55 6PY 0.00396 -0.00434 -0.00807 0.00062 -0.00160 56 6PZ 0.00195 0.00408 -0.00756 -0.00643 0.00183 57 7D 0 -0.00011 -0.00004 0.00011 0.00004 -0.00007 58 7D+1 0.00009 -0.00011 0.00031 0.00016 -0.00018 59 7D-1 -0.00009 0.00001 0.00005 0.00000 -0.00003 60 7D+2 0.00001 0.00006 -0.00030 -0.00020 0.00018 61 7D-2 0.00009 -0.00004 -0.00001 -0.00008 0.00006 62 8D 0 0.00058 0.00001 -0.00060 -0.00027 0.00038 63 8D+1 -0.00081 0.00087 -0.00079 -0.00024 0.00068 64 8D-1 0.00034 -0.00013 -0.00010 -0.00018 0.00023 65 8D+2 0.00014 -0.00028 0.00114 0.00077 -0.00077 66 8D-2 -0.00052 0.00032 -0.00019 0.00071 -0.00051 67 4 Cu 1S 0.00222 0.00114 -0.00019 0.00058 0.00244 68 2S 0.00177 -0.00428 -0.00143 -0.00148 -0.00066 69 3S 0.00603 0.04595 0.02730 0.02548 0.01044 70 4PX -0.02646 0.15163 0.83960 0.43951 -0.24164 71 4PY -0.01468 0.18775 -0.53022 0.70535 -0.41664 72 4PZ -0.03417 0.91926 -0.02648 -0.04652 0.35883 73 5PX 0.00109 0.00982 0.02439 0.01058 -0.00613 74 5PY 0.00259 0.00548 -0.01283 0.01428 -0.00990 75 5PZ 0.00119 0.02763 0.00307 0.00174 0.00849 76 6PX 0.00181 0.00605 -0.02228 -0.00079 0.00883 77 6PY 0.00046 -0.00431 0.01526 -0.00706 0.00918 78 6PZ 0.00095 -0.00363 0.01521 0.00914 -0.00449 79 7D 0 0.00008 -0.00237 0.00035 0.00061 -0.00058 80 7D+1 0.00030 -0.00104 -0.00186 -0.00094 0.00024 81 7D-1 0.00014 -0.00050 0.00119 -0.00161 0.00075 82 7D+2 0.00013 -0.00012 -0.00065 -0.00024 0.00006 83 7D-2 0.00011 -0.00012 0.00032 -0.00056 0.00033 84 8D 0 0.00017 0.00098 -0.00010 -0.00177 -0.00282 85 8D+1 -0.00106 0.00035 0.00015 -0.00009 0.00053 86 8D-1 -0.00049 -0.00004 -0.00016 0.00037 0.00073 87 8D+2 -0.00068 0.00018 0.00054 0.00031 0.00014 88 8D-2 -0.00057 -0.00041 -0.00026 -0.00012 -0.00008 89 5 Cu 1S 0.00191 0.00079 -0.00004 0.00061 0.00032 90 2S 0.00189 0.00078 -0.00005 0.00147 0.00075 91 3S 0.01181 0.00416 0.00532 -0.00021 0.00414 92 4PX 0.00629 0.01310 -0.00247 -0.02438 -0.01589 93 4PY -0.00897 -0.00152 -0.00007 0.00348 0.00448 94 4PZ 0.01627 0.00670 -0.00065 -0.00849 0.00264 95 5PX -0.00059 0.00112 -0.00015 -0.00126 -0.00220 96 5PY 0.00314 -0.00019 0.00111 0.00088 -0.00008 97 5PZ -0.00262 -0.00033 0.00011 -0.00216 -0.00092 98 6PX -0.00002 0.00102 0.00040 -0.00379 -0.00221 99 6PY 0.00060 0.00564 0.00018 -0.00195 0.00189 100 6PZ -0.00274 -0.00185 -0.00316 0.00328 0.00256 101 7D 0 0.00013 -0.00003 -0.00001 -0.00002 0.00005 102 7D+1 0.00005 0.00008 -0.00001 -0.00018 -0.00015 103 7D-1 -0.00012 0.00003 0.00002 0.00005 -0.00001 104 7D+2 -0.00004 0.00006 -0.00001 -0.00010 -0.00008 105 7D-2 -0.00001 -0.00001 0.00000 0.00004 0.00002 106 8D 0 -0.00055 0.00020 0.00003 0.00027 -0.00001 107 8D+1 0.00013 -0.00028 0.00005 0.00086 0.00087 108 8D-1 0.00059 -0.00024 -0.00017 -0.00027 0.00018 109 8D+2 0.00040 -0.00025 0.00007 0.00038 0.00032 110 8D-2 -0.00019 0.00005 0.00001 -0.00015 0.00002 111 6 Cu 1S 0.00234 -0.00202 0.00100 -0.00011 0.00050 112 2S 0.00253 -0.00152 0.00001 0.00018 0.00066 113 3S 0.01570 -0.00990 0.00199 -0.00947 0.00362 114 4PX -0.01293 0.01476 -0.00988 0.00634 -0.00434 115 4PY 0.00852 -0.03547 0.03006 -0.00492 0.00409 116 4PZ -0.00031 -0.01806 0.02441 -0.01535 0.00804 117 5PX 0.00560 0.00022 -0.00259 -0.00233 0.00087 118 5PY -0.00220 0.00210 0.00047 -0.00052 -0.00092 119 5PZ 0.00017 0.00179 -0.00098 0.00156 0.00042 120 6PX 0.00171 -0.00516 0.00811 0.00026 -0.00162 121 6PY -0.00136 -0.00022 0.00379 0.00509 -0.00332 122 6PZ 0.00094 0.00072 0.01256 -0.00131 0.00312 123 7D 0 -0.00010 0.00006 -0.00008 0.00006 -0.00001 124 7D+1 0.00001 0.00010 -0.00017 0.00005 -0.00004 125 7D-1 0.00002 -0.00018 0.00026 -0.00020 0.00004 126 7D+2 0.00012 0.00018 -0.00016 0.00007 -0.00001 127 7D-2 -0.00008 0.00019 -0.00025 0.00005 0.00000 128 8D 0 0.00033 0.00019 0.00031 -0.00037 0.00000 129 8D+1 0.00001 -0.00037 0.00085 -0.00002 0.00005 130 8D-1 -0.00018 0.00091 -0.00130 0.00114 0.00007 131 8D+2 -0.00070 -0.00073 0.00065 -0.00064 0.00013 132 8D-2 -0.00011 -0.00049 0.00123 -0.00010 -0.00024 133 7 Cu 1S 0.00248 -0.00132 -0.00009 -0.00087 -0.00227 134 2S 0.00205 -0.00094 -0.00050 0.00093 0.00320 135 3S 0.00243 -0.00191 -0.00764 -0.01669 -0.03161 136 4PX -0.02282 0.03044 0.03249 -0.06955 -0.28448 137 4PY -0.01656 0.03746 -0.02848 0.02164 0.14099 138 4PZ 0.01298 -0.28651 0.00852 0.54087 0.73007 139 5PX 0.00206 0.00373 -0.00125 -0.00499 -0.01004 140 5PY 0.00282 0.00113 -0.00070 -0.00185 0.00235 141 5PZ -0.00087 -0.00463 0.00206 0.01427 0.01800 142 6PX 0.00120 0.00088 0.00549 -0.00284 -0.00436 143 6PY -0.00138 -0.00011 0.00050 0.00141 -0.01097 144 6PZ 0.00047 0.00889 0.00594 -0.00845 -0.01043 145 7D 0 -0.00009 -0.00082 0.00008 0.00100 0.00064 146 7D+1 -0.00016 0.00063 0.00000 -0.00096 -0.00142 147 7D-1 -0.00011 0.00023 -0.00005 -0.00001 0.00036 148 7D+2 0.00011 -0.00005 -0.00004 0.00013 0.00048 149 7D-2 0.00019 -0.00007 0.00003 0.00001 -0.00018 150 8D 0 0.00032 0.00234 -0.00024 -0.00079 0.00214 151 8D+1 0.00034 -0.00097 0.00056 0.00057 -0.00050 152 8D-1 0.00030 -0.00120 -0.00019 0.00093 -0.00055 153 8D+2 -0.00035 -0.00004 -0.00011 0.00001 -0.00044 154 8D-2 -0.00041 0.00002 0.00005 -0.00021 -0.00007 155 8 Cu 1S 0.00177 0.00072 0.00016 0.00019 -0.00009 156 2S 0.00211 0.00101 0.00037 0.00038 -0.00004 157 3S 0.00351 0.01061 0.00655 0.00743 -0.00561 158 4PX 0.00018 0.00183 -0.00049 0.00032 -0.00276 159 4PY 0.00785 0.00227 -0.00007 -0.00442 -0.00646 160 4PZ 0.00857 0.00194 -0.00323 -0.00169 -0.00365 161 5PX 0.00070 0.00017 -0.00055 0.00064 0.00009 162 5PY -0.00150 -0.00112 -0.00016 0.00003 0.00033 163 5PZ -0.00145 -0.00151 -0.00126 -0.00271 0.00074 164 6PX 0.00262 0.00156 0.00630 -0.00234 -0.00361 165 6PY 0.00049 0.00042 -0.00117 -0.00263 -0.00062 166 6PZ -0.00087 -0.00420 0.00095 0.00051 0.00109 167 7D 0 0.00003 0.00000 -0.00002 -0.00009 -0.00001 168 7D+1 0.00000 0.00001 -0.00001 0.00001 -0.00003 169 7D-1 0.00002 0.00001 -0.00003 -0.00006 -0.00008 170 7D+2 0.00000 0.00005 0.00001 0.00002 0.00003 171 7D-2 0.00000 -0.00004 0.00000 0.00003 0.00002 172 8D 0 -0.00021 0.00004 0.00008 0.00063 0.00011 173 8D+1 0.00027 -0.00007 0.00007 -0.00008 0.00009 174 8D-1 0.00024 -0.00002 0.00018 0.00034 0.00033 175 8D+2 -0.00028 -0.00034 -0.00010 0.00000 -0.00008 176 8D-2 0.00008 0.00024 0.00001 -0.00021 -0.00024 177 9 C 1S -0.00008 0.00000 -0.00007 0.00006 0.00000 178 2S -0.00122 0.00020 -0.00087 0.00086 0.00004 179 3S 0.00918 -0.00076 0.00575 -0.00510 -0.00008 180 4PX -0.00012 -0.00002 -0.00021 0.00008 0.00005 181 4PY 0.00014 0.00009 0.00008 0.00009 0.00013 182 4PZ 0.00005 0.00009 -0.00008 0.00011 -0.00014 183 5PX -0.00188 -0.00037 -0.00044 0.00100 0.00034 184 5PY 0.00440 -0.00219 -0.00046 -0.00025 0.00142 185 5PZ 0.00138 -0.00120 -0.00141 -0.00065 0.00010 186 10 O 1S 0.00000 0.00001 0.00002 -0.00001 -0.00001 187 2S -0.00009 0.00023 0.00053 -0.00030 -0.00020 188 3S 0.00042 -0.00102 -0.00219 0.00131 0.00091 189 4PX -0.00007 -0.00004 0.00005 0.00001 0.00001 190 4PY 0.00016 -0.00002 -0.00005 0.00007 0.00007 191 4PZ 0.00004 -0.00002 -0.00004 -0.00002 0.00005 192 5PX 0.00054 0.00031 0.00011 -0.00032 -0.00020 193 5PY -0.00111 -0.00001 -0.00045 0.00023 -0.00012 194 5PZ -0.00035 0.00020 0.00032 0.00022 -0.00011 21 22 23 24 25 O O O O O EIGENVALUES -- -2.80165 -2.80006 -2.79781 -2.79745 -2.79690 1 1 Cu 1S -0.00062 -0.00147 0.00117 -0.00089 0.00096 2 2S -0.00054 -0.00025 -0.00078 0.00194 -0.00160 3 3S -0.01458 -0.00947 0.03500 -0.03945 0.01537 4 4PX 0.00342 0.02238 0.00153 -0.01157 -0.02658 5 4PY 0.00969 0.01571 -0.02061 0.01275 0.02424 6 4PZ -0.00874 -0.01499 0.03101 0.03196 0.03997 7 5PX 0.00010 0.00390 0.00109 0.00007 -0.00276 8 5PY 0.00556 0.00021 -0.00503 0.00391 0.00489 9 5PZ -0.00225 -0.00192 -0.00001 0.00347 0.00477 10 6PX 0.00818 -0.00435 0.00526 -0.01073 -0.02287 11 6PY -0.00508 0.01541 -0.01400 0.01820 0.01891 12 6PZ 0.00946 0.01370 -0.00419 0.03432 0.04704 13 7D 0 0.00001 0.00009 0.00030 -0.00043 0.00020 14 7D+1 0.00001 0.00008 -0.00003 0.00033 -0.00031 15 7D-1 0.00001 0.00012 -0.00034 -0.00046 0.00029 16 7D+2 -0.00011 0.00001 -0.00018 0.00004 0.00010 17 7D-2 -0.00003 -0.00014 -0.00006 0.00014 -0.00021 18 8D 0 0.00001 -0.00041 -0.00190 0.00313 -0.00162 19 8D+1 0.00009 -0.00016 0.00016 -0.00253 0.00217 20 8D-1 0.00009 -0.00044 0.00216 0.00327 -0.00206 21 8D+2 0.00092 -0.00046 0.00105 -0.00020 -0.00043 22 8D-2 -0.00001 0.00048 0.00037 -0.00102 0.00126 23 2 Cu 1S -0.00133 0.00043 0.00059 -0.00076 -0.00140 24 2S 0.00001 0.00038 -0.00005 0.00003 -0.00132 25 3S -0.00705 -0.01444 0.00919 -0.00989 -0.00303 26 4PX 0.00750 -0.00098 0.00066 -0.00212 -0.00068 27 4PY -0.00393 -0.00086 0.00266 -0.00490 -0.00214 28 4PZ -0.00621 -0.00066 0.00478 0.00576 -0.00197 29 5PX 0.00183 0.00632 0.00261 -0.00274 -0.00282 30 5PY 0.00414 -0.01324 0.00036 -0.00023 0.00042 31 5PZ -0.00306 -0.00578 0.00267 0.00170 0.00145 32 6PX -0.00148 0.00579 0.00114 0.00188 0.00993 33 6PY -0.00383 0.00472 0.00027 0.00080 -0.00172 34 6PZ 0.00079 -0.00367 0.00139 -0.00408 -0.00579 35 7D 0 0.00005 0.00001 0.00015 -0.00004 -0.00013 36 7D+1 0.00016 -0.00006 0.00005 0.00011 -0.00001 37 7D-1 -0.00015 0.00001 0.00016 0.00027 -0.00003 38 7D+2 -0.00014 0.00006 -0.00004 0.00007 -0.00002 39 7D-2 0.00024 -0.00005 0.00003 -0.00011 -0.00006 40 8D 0 -0.00047 -0.00016 -0.00086 0.00021 0.00068 41 8D+1 -0.00079 0.00038 -0.00036 -0.00058 0.00002 42 8D-1 0.00076 -0.00019 -0.00078 -0.00136 0.00025 43 8D+2 0.00083 -0.00029 0.00016 -0.00024 0.00019 44 8D-2 -0.00149 0.00039 -0.00021 0.00056 0.00031 45 3 Cu 1S 0.00014 0.00047 -0.00072 0.00189 0.00082 46 2S 0.00003 0.00067 -0.00091 -0.00601 0.00025 47 3S 0.00495 0.00836 -0.01424 0.05824 0.02543 48 4PX 0.00994 0.00127 0.01527 -0.58031 -0.10184 49 4PY 0.00072 0.00202 -0.00441 -0.02620 -0.02382 50 4PZ -0.00483 -0.00070 -0.02395 0.79095 0.11408 51 5PX -0.00021 -0.00070 0.00045 -0.01834 -0.00482 52 5PY 0.00041 0.00072 -0.00056 -0.00079 -0.00125 53 5PZ 0.00020 0.00141 -0.00428 0.02375 0.00662 54 6PX -0.00065 0.00026 -0.00208 0.00275 0.00850 55 6PY 0.00050 0.00005 0.00096 0.00586 0.01029 56 6PZ 0.00247 0.00205 -0.00455 0.00353 0.00380 57 7D 0 -0.00004 -0.00005 0.00011 -0.00147 -0.00033 58 7D+1 -0.00006 0.00004 -0.00006 0.00226 0.00045 59 7D-1 0.00001 -0.00001 -0.00002 0.00009 0.00001 60 7D+2 0.00006 -0.00004 0.00003 -0.00078 -0.00015 61 7D-2 0.00000 0.00002 0.00001 0.00001 0.00000 62 8D 0 0.00025 0.00037 -0.00043 -0.00049 0.00081 63 8D+1 0.00019 -0.00038 0.00000 0.00006 -0.00058 64 8D-1 -0.00001 0.00003 0.00015 -0.00067 0.00029 65 8D+2 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85 8D+1 -0.00015 -0.00006 -0.00041 -0.00044 -0.00028 86 8D-1 0.00059 -0.00052 -0.00010 -0.00007 -0.00012 87 8D+2 0.00015 -0.00014 -0.00015 0.00118 0.00013 88 8D-2 0.00015 -0.00016 -0.00020 0.00032 -0.00004 89 5 Cu 1S -0.00163 -0.00127 -0.00235 0.00056 0.00112 90 2S -0.00105 -0.00170 0.00503 0.00149 0.00009 91 3S 0.00540 -0.00009 -0.05338 0.00317 0.00272 92 4PX -0.11526 -0.10708 0.41263 0.00717 0.11628 93 4PY 0.00930 0.04398 -0.31580 0.00883 -0.20236 94 4PZ -0.09243 -0.09736 0.81999 0.04795 -0.23955 95 5PX -0.00117 0.00080 0.01383 0.00136 0.00240 96 5PY 0.00222 0.00182 -0.00928 0.00057 -0.00183 97 5PZ -0.00534 -0.00351 0.02578 -0.00142 -0.00541 98 6PX -0.00380 0.00168 0.00084 0.00049 -0.00326 99 6PY -0.00686 -0.00062 -0.00081 -0.00476 0.00267 100 6PZ 0.00318 0.00087 0.00244 -0.00556 0.00330 101 7D 0 -0.00012 -0.00015 0.00171 0.00005 -0.00079 102 7D+1 -0.00074 -0.00050 0.00183 0.00010 -0.00004 103 7D-1 0.00005 0.00011 -0.00102 0.00001 -0.00032 104 7D+2 -0.00042 -0.00021 0.00027 0.00001 0.00000 105 7D-2 0.00009 0.00013 -0.00063 0.00002 -0.00039 106 8D 0 -0.00026 -0.00005 -0.00022 0.00040 0.00021 107 8D+1 0.00229 0.00083 0.00032 -0.00020 0.00006 108 8D-1 -0.00010 0.00041 -0.00024 -0.00003 -0.00028 109 8D+2 0.00185 0.00057 0.00059 -0.00002 0.00018 110 8D-2 -0.00026 0.00009 0.00054 -0.00009 0.00036 111 6 Cu 1S 0.00101 -0.00183 -0.00102 0.00064 0.00126 112 2S 0.00029 -0.00159 -0.00158 0.00120 0.00189 113 3S 0.00241 -0.00443 -0.00318 0.00578 -0.00537 114 4PX -0.01239 0.03591 0.00447 0.01925 -0.16027 115 4PY 0.04816 -0.06941 -0.00693 -0.00700 0.07154 116 4PZ -0.01928 0.03374 -0.00008 0.01863 -0.14877 117 5PX -0.00191 0.00262 -0.00026 0.00300 -0.00279 118 5PY 0.00088 0.00211 0.00081 -0.00093 0.00451 119 5PZ 0.00000 -0.00109 0.00000 -0.00057 -0.00182 120 6PX 0.00758 -0.00312 0.00061 0.00024 -0.00227 121 6PY 0.00228 -0.00077 0.00511 -0.00402 -0.00536 122 6PZ -0.00215 0.00022 -0.00045 -0.00579 -0.00255 123 7D 0 -0.00017 0.00014 0.00000 0.00001 0.00001 124 7D+1 0.00011 -0.00014 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0.02282 164 6PX 0.00080 -0.00641 0.00372 -0.00632 -0.00909 165 6PY -0.00097 -0.00224 0.00025 -0.00479 -0.00229 166 6PZ 0.00097 0.00482 0.00032 0.00217 -0.00326 167 7D 0 0.00003 -0.00008 0.00007 -0.00019 0.00169 168 7D+1 -0.00001 -0.00001 -0.00005 -0.00004 -0.00020 169 7D-1 0.00000 -0.00002 0.00018 -0.00015 0.00166 170 7D+2 -0.00004 -0.00001 -0.00015 0.00006 -0.00046 171 7D-2 -0.00001 0.00009 -0.00009 -0.00003 -0.00012 172 8D 0 -0.00009 0.00029 0.00024 -0.00073 0.00040 173 8D+1 0.00018 -0.00010 -0.00036 0.00081 -0.00093 174 8D-1 -0.00002 -0.00083 0.00039 -0.00075 -0.00056 175 8D+2 0.00040 0.00059 0.00040 -0.00001 0.00055 176 8D-2 0.00012 -0.00081 0.00019 0.00036 0.00010 177 9 C 1S -0.00005 0.00009 0.00002 -0.00003 -0.00003 178 2S -0.00057 0.00148 0.00021 -0.00011 -0.00023 179 3S 0.00384 -0.00863 -0.00199 0.00258 0.00227 180 4PX -0.00015 0.00010 0.00002 -0.00001 -0.00003 181 4PY -0.00008 0.00015 -0.00007 0.00030 0.00029 182 4PZ 0.00004 -0.00008 -0.00008 -0.00019 0.00013 183 5PX -0.00064 0.00082 -0.00081 0.00032 0.00056 184 5PY -0.00152 -0.00411 0.00070 -0.00129 -0.00021 185 5PZ 0.00099 -0.00033 -0.00047 0.00093 -0.00030 186 10 O 1S 0.00002 0.00000 -0.00001 0.00001 0.00001 187 2S 0.00049 -0.00006 -0.00021 0.00030 0.00024 188 3S -0.00209 0.00022 0.00093 -0.00127 -0.00089 189 4PX 0.00002 -0.00002 -0.00003 0.00000 0.00005 190 4PY -0.00010 -0.00003 -0.00001 0.00001 -0.00002 191 4PZ 0.00002 0.00003 -0.00003 0.00008 -0.00006 192 5PX 0.00026 -0.00011 0.00016 0.00004 -0.00027 193 5PY -0.00008 0.00075 0.00030 -0.00029 -0.00006 194 5PZ -0.00037 -0.00002 0.00024 -0.00046 0.00020 26 27 28 29 30 O O O O O EIGENVALUES -- -2.79654 -2.79549 -2.79528 -2.79473 -2.79464 1 1 Cu 1S 0.00022 -0.00076 -0.00027 0.00086 0.00000 2 2S -0.00076 -0.00110 0.00102 0.00293 -0.00076 3 3S 0.02459 -0.01513 -0.01615 -0.02593 0.01558 4 4PX -0.00760 0.01624 0.00138 -0.01058 -0.01033 5 4PY 0.00450 -0.00377 0.00779 0.00433 0.00620 6 4PZ 0.01014 0.01333 -0.01065 0.01922 0.00686 7 5PX -0.00121 0.00428 -0.00085 0.00208 -0.00063 8 5PY -0.00281 0.00077 0.00115 -0.00140 -0.00208 9 5PZ -0.00114 0.00287 0.00513 -0.00413 -0.00296 10 6PX -0.00857 -0.00691 -0.00137 -0.00011 -0.00943 11 6PY 0.00580 0.01231 0.01209 0.01949 0.01063 12 6PZ 0.01600 0.03728 0.00935 0.02713 0.00852 13 7D 0 0.00011 0.00030 -0.00004 -0.00024 -0.00004 14 7D+1 -0.00010 -0.00011 -0.00005 0.00018 -0.00010 15 7D-1 0.00005 0.00000 0.00031 -0.00026 0.00010 16 7D+2 0.00007 -0.00028 0.00005 0.00002 0.00015 17 7D-2 -0.00007 0.00012 0.00004 0.00008 -0.00013 18 8D 0 -0.00116 -0.00175 0.00009 0.00162 0.00019 19 8D+1 0.00080 0.00099 0.00016 -0.00114 0.00097 20 8D-1 -0.00045 -0.00024 -0.00203 0.00207 -0.00074 21 8D+2 -0.00054 0.00145 -0.00048 -0.00031 -0.00084 22 8D-2 0.00027 -0.00048 -0.00008 -0.00056 0.00086 23 2 Cu 1S 0.00033 0.00064 0.00062 -0.00010 -0.00021 24 2S -0.00082 0.00114 0.00051 -0.00087 -0.00064 25 3S 0.01099 0.00410 0.00208 0.00759 -0.00704 26 4PX 0.00085 0.00011 -0.00018 0.00089 0.00014 27 4PY 0.00243 0.00022 0.00066 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0.00053 0.00077 68 2S 0.00014 -0.00083 0.00014 0.00014 -0.00068 69 3S -0.00519 -0.00579 -0.00614 0.00911 0.01880 70 4PX -0.00062 0.00385 0.00123 0.02543 -0.01138 71 4PY -0.00017 -0.01839 -0.00950 -0.00617 0.03722 72 4PZ -0.00040 -0.01575 -0.00544 -0.01087 0.02402 73 5PX -0.00057 -0.00039 0.00037 0.00165 0.00017 74 5PY -0.00103 -0.00314 -0.00081 -0.00125 0.00293 75 5PZ -0.00048 -0.00160 -0.00033 -0.00075 0.00093 76 6PX -0.00332 0.00633 -0.00290 0.01078 0.01072 77 6PY 0.00575 -0.00313 0.00120 0.00172 -0.00518 78 6PZ -0.00355 -0.00482 -0.00267 -0.00166 0.00315 79 7D 0 -0.00004 0.00002 0.00004 -0.00013 0.00002 80 7D+1 0.00002 0.00004 -0.00002 -0.00008 -0.00008 81 7D-1 0.00002 -0.00005 -0.00007 -0.00005 0.00025 82 7D+2 0.00000 0.00008 0.00000 0.00021 -0.00016 83 7D-2 0.00002 0.00007 0.00002 0.00007 -0.00010 84 8D 0 0.00030 -0.00007 -0.00024 0.00092 -0.00056 85 8D+1 -0.00009 -0.00023 0.00017 0.00002 0.00042 86 8D-1 -0.00012 0.00037 0.00049 0.00033 -0.00184 87 8D+2 -0.00001 -0.00045 -0.00001 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0.03884 -0.04942 0.01325 -0.08613 0.02528 34 6PZ 0.00530 0.12064 0.04070 -0.04007 0.03284 35 7D 0 -0.03570 -0.04896 -0.00027 -0.10122 0.01097 36 7D+1 -0.00838 0.01383 -0.00180 -0.03458 -0.01095 37 7D-1 0.02776 -0.02901 -0.03826 0.09825 -0.06083 38 7D+2 -0.05807 -0.06958 0.04411 -0.16355 -0.01711 39 7D-2 -0.03730 -0.01483 -0.04253 -0.12771 -0.06739 40 8D 0 -0.01664 -0.01217 -0.00003 -0.02998 0.00055 41 8D+1 -0.00386 0.00329 -0.00034 -0.00997 -0.00409 42 8D-1 0.01284 -0.00770 -0.00950 0.02823 -0.01895 43 8D+2 -0.02637 -0.01770 0.01106 -0.04942 -0.01167 44 8D-2 -0.01673 -0.00391 -0.01045 -0.03791 -0.02563 45 3 Cu 1S 0.00100 -0.00043 0.00027 -0.00197 -0.00768 46 2S 0.00609 0.00094 -0.00101 0.01886 0.11566 47 3S 0.02897 0.00029 0.00999 0.02332 0.06451 48 4PX 0.00037 0.00064 -0.00039 0.00225 0.01691 49 4PY 0.00103 -0.00018 -0.00023 0.00363 -0.00099 50 4PZ -0.00103 -0.00098 0.00025 -0.00407 -0.02146 51 5PX -0.00078 0.00231 0.00018 -0.00095 -0.01887 52 5PY -0.00486 -0.00227 -0.00024 -0.00896 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-0.03291 73 5PX 0.00681 0.00306 0.00092 0.00779 0.02816 74 5PY -0.00393 -0.00165 0.00027 -0.00728 0.00677 75 5PZ 0.00663 0.00225 0.00228 0.00467 0.03646 76 6PX 0.01751 0.02503 0.01957 -0.00669 -0.04398 77 6PY -0.02000 -0.03913 -0.03130 0.01109 0.01196 78 6PZ -0.00083 -0.01028 -0.00961 0.00292 -0.00621 79 7D 0 -0.00012 0.00022 0.00057 0.00220 0.07546 80 7D+1 0.00179 0.00341 0.00023 0.01096 0.09201 81 7D-1 -0.00111 -0.00155 -0.00053 -0.00457 0.03968 82 7D+2 0.00046 0.00168 0.00052 0.00442 0.05460 83 7D-2 -0.00170 -0.00144 0.00012 -0.00653 -0.00195 84 8D 0 0.00010 0.00010 0.00016 0.00152 0.02643 85 8D+1 0.00081 0.00102 0.00018 0.00382 0.03315 86 8D-1 -0.00003 -0.00016 -0.00034 -0.00095 0.01444 87 8D+2 -0.00001 0.00093 -0.00001 0.00198 0.02065 88 8D-2 -0.00008 -0.00043 -0.00019 -0.00148 -0.00165 89 5 Cu 1S 0.00073 -0.00048 0.00032 -0.00183 -0.01114 90 2S 0.00493 0.00463 -0.00117 0.01823 0.14157 91 3S 0.04680 -0.00595 -0.01746 0.03148 -0.02434 92 4PX 0.00016 0.00023 -0.00029 0.00162 0.01606 93 4PY 0.00033 0.00058 0.00015 0.00100 -0.01182 94 4PZ 0.00122 0.00119 -0.00065 0.00578 0.02403 95 5PX -0.00036 -0.00017 0.00076 0.00005 -0.00835 96 5PY 0.00205 -0.00109 -0.00057 -0.00718 0.00737 97 5PZ -0.00979 -0.00148 0.00160 -0.01283 -0.01526 98 6PX 0.01411 -0.01179 -0.01763 -0.01418 0.01535 99 6PY -0.02899 0.06092 0.02416 0.01553 -0.01328 100 6PZ -0.03655 0.02154 0.00985 0.01367 0.00485 101 7D 0 0.00199 0.00109 -0.00235 0.01152 0.03997 102 7D+1 0.00066 0.00043 -0.00076 0.00582 0.08543 103 7D-1 0.00150 0.00092 -0.00017 0.00364 -0.05030 104 7D+2 -0.00052 -0.00108 -0.00016 -0.00042 -0.00098 105 7D-2 -0.00001 -0.00036 -0.00054 -0.00032 -0.04478 106 8D 0 0.00046 0.00032 -0.00082 0.00402 0.01379 107 8D+1 0.00015 0.00018 -0.00011 0.00233 0.02943 108 8D-1 -0.00033 -0.00024 0.00022 0.00026 -0.01644 109 8D+2 -0.00005 -0.00024 -0.00013 -0.00001 -0.00084 110 8D-2 -0.00035 -0.00019 -0.00006 -0.00035 -0.01563 111 6 Cu 1S -0.00103 -0.00027 0.00005 -0.00149 -0.01061 112 2S -0.00030 0.00101 -0.00052 0.00482 0.15052 113 3S 0.02027 -0.01027 -0.00250 -0.03630 -0.00204 114 4PX -0.00031 -0.00024 0.00008 -0.00124 -0.02317 115 4PY 0.00047 0.00030 -0.00014 0.00142 0.02327 116 4PZ -0.00002 -0.00003 -0.00004 0.00002 -0.00440 117 5PX 0.00343 -0.00176 0.00014 -0.00536 0.01716 118 5PY -0.00379 0.00163 0.00115 0.00623 -0.01987 119 5PZ -0.00054 0.00043 0.00110 0.00096 0.00187 120 6PX -0.01862 0.00011 -0.01365 0.00527 -0.00240 121 6PY 0.00405 -0.00708 -0.01186 0.00285 0.01466 122 6PZ 0.00111 -0.03439 -0.01446 -0.00343 0.00556 123 7D 0 -0.00010 -0.00036 0.00009 -0.00169 -0.04984 124 7D+1 0.00005 0.00004 -0.00006 0.00022 0.03285 125 7D-1 0.00001 0.00009 -0.00001 0.00023 -0.00299 126 7D+2 -0.00005 -0.00002 -0.00006 -0.00041 -0.00375 127 7D-2 -0.00017 -0.00061 0.00018 -0.00294 -0.10589 128 8D 0 -0.00025 -0.00005 0.00008 0.00019 -0.01661 129 8D+1 -0.00019 0.00010 0.00006 0.00025 0.01260 130 8D-1 0.00008 -0.00005 -0.00006 0.00000 -0.00127 131 8D+2 0.00000 -0.00002 0.00010 -0.00017 -0.00122 132 8D-2 -0.00051 0.00001 0.00003 0.00015 -0.03679 133 7 Cu 1S 0.00038 -0.00046 0.00019 -0.00215 -0.01425 134 2S 0.00436 0.00520 -0.00175 0.02317 0.21617 135 3S 0.01552 -0.00592 0.00283 0.07028 0.02176 136 4PX -0.00114 -0.00127 0.00037 -0.00691 -0.03274 137 4PY 0.00036 0.00024 -0.00015 0.00028 -0.02394 138 4PZ 0.00072 0.00079 -0.00016 0.00381 0.01927 139 5PX 0.00177 0.00055 0.00009 0.01845 0.05006 140 5PY -0.00108 -0.00018 0.00039 -0.00305 0.03913 141 5PZ -0.00145 -0.00100 0.00094 -0.01122 -0.02170 142 6PX 0.01494 -0.01574 0.00265 -0.00189 -0.01699 143 6PY -0.03219 0.04789 -0.02276 0.00708 -0.02903 144 6PZ -0.00614 0.00384 -0.01907 -0.00628 0.00211 145 7D 0 -0.00065 -0.00033 0.00074 -0.00272 -0.01966 146 7D+1 -0.00239 -0.00222 -0.00009 -0.01297 -0.06283 147 7D-1 0.00072 0.00000 -0.00023 0.00145 -0.05667 148 7D+2 0.00167 0.00085 -0.00016 0.01094 0.02509 149 7D-2 -0.00127 -0.00030 -0.00023 -0.00299 0.07890 150 8D 0 -0.00018 0.00014 0.00030 -0.00076 -0.00704 151 8D+1 0.00010 -0.00067 -0.00023 -0.00404 -0.02261 152 8D-1 -0.00022 -0.00031 0.00016 -0.00030 -0.02078 153 8D+2 -0.00052 0.00021 -0.00018 0.00368 0.01013 154 8D-2 0.00073 0.00036 -0.00021 -0.00014 0.02673 155 8 Cu 1S -0.00114 -0.00019 0.00037 -0.00091 -0.00911 156 2S -0.00060 0.00109 0.00003 0.00444 0.13646 157 3S 0.02227 0.01423 -0.01081 -0.04531 0.04801 158 4PX -0.00007 -0.00011 0.00003 -0.00026 -0.00131 159 4PY 0.00029 0.00029 -0.00009 0.00118 0.02024 160 4PZ 0.00041 0.00031 -0.00014 0.00105 0.02338 161 5PX 0.00023 0.00102 0.00005 -0.00102 0.00847 162 5PY -0.00053 -0.00055 -0.00058 0.00630 -0.01946 163 5PZ -0.00525 -0.00247 0.00117 0.00530 -0.02435 164 6PX 0.00368 -0.01396 -0.01489 -0.01018 -0.02037 165 6PY -0.01518 0.02548 0.00042 0.01282 -0.02395 166 6PZ 0.03073 -0.02394 -0.00634 -0.01250 0.01876 167 7D 0 0.00003 0.00026 -0.00008 0.00076 0.04250 168 7D+1 -0.00002 -0.00017 0.00009 -0.00050 0.00009 169 7D-1 0.00016 0.00048 -0.00020 0.00249 0.10253 170 7D+2 -0.00008 -0.00022 0.00009 -0.00130 -0.04287 171 7D-2 -0.00007 -0.00017 0.00009 -0.00059 -0.01534 172 8D 0 0.00045 0.00013 -0.00016 0.00019 0.01411 173 8D+1 -0.00015 -0.00010 -0.00001 -0.00007 0.00099 174 8D-1 0.00028 0.00007 -0.00001 -0.00051 0.03383 175 8D+2 -0.00006 -0.00002 -0.00002 0.00003 -0.01408 176 8D-2 -0.00001 -0.00003 -0.00007 0.00000 -0.00553 177 9 C 1S -0.16308 -0.01786 0.00675 -0.08635 0.02758 178 2S 0.38898 0.03136 -0.01216 0.16151 -0.05747 179 3S 0.28504 0.06021 -0.02213 0.25422 -0.10014 180 4PX -0.00065 -0.16872 0.37257 -0.04249 0.02183 181 4PY -0.02254 0.02437 0.01376 0.49193 -0.09198 182 4PZ 0.00285 0.37536 0.16129 0.00589 -0.01257 183 5PX -0.01768 -0.02331 0.05900 0.00686 0.00999 184 5PY 0.07356 -0.00968 0.00807 0.01523 -0.03603 185 5PZ 0.01066 0.05494 0.02587 -0.00759 -0.00105 186 10 O 1S 0.12613 -0.00850 0.00319 -0.02930 -0.00170 187 2S -0.28559 0.01561 -0.00590 0.04868 0.01009 188 3S -0.37698 0.04274 -0.01594 0.16523 -0.01532 189 4PX -0.09663 -0.20042 0.55213 0.18844 -0.01750 190 4PY 0.42140 -0.22405 0.11985 -0.34203 0.05502 191 4PZ 0.06671 0.53694 0.26391 -0.16657 -0.00042 192 5PX -0.02414 -0.07900 0.20983 0.05614 -0.00684 193 5PY 0.10459 -0.06738 0.03877 -0.05334 0.01489 194 5PZ 0.01706 0.20507 0.09923 -0.05358 -0.00333 41 42 43 44 45 O O O O O EIGENVALUES -- -0.34078 -0.33414 -0.32671 -0.32393 -0.32241 1 1 Cu 1S -0.00041 0.00066 -0.00226 0.00089 -0.00113 2 2S -0.00262 0.07847 -0.02141 0.03648 -0.01738 3 3S 0.04117 0.02625 -0.15589 0.15869 -0.05196 4 4PX 0.00681 -0.00767 -0.01228 -0.00015 0.00710 5 4PY -0.00140 0.00270 0.01398 0.01962 -0.01160 6 4PZ -0.02480 -0.00920 0.00669 0.00622 -0.00188 7 5PX -0.01650 -0.01159 0.00091 -0.00672 0.00628 8 5PY 0.01597 -0.04516 0.04470 -0.03812 0.00420 9 5PZ 0.03015 -0.00032 -0.01467 -0.01137 0.00661 10 6PX -0.02917 -0.06182 -0.01533 -0.00025 0.03008 11 6PY 0.02928 0.04883 0.05142 0.02635 -0.05153 12 6PZ 0.00665 0.05410 0.00251 -0.04761 -0.03886 13 7D 0 -0.05557 0.11967 0.07112 -0.22451 0.00900 14 7D+1 -0.07278 -0.14818 0.12922 0.18694 0.05442 15 7D-1 -0.30758 0.01510 -0.02595 -0.06607 -0.06961 16 7D+2 0.05191 -0.07733 -0.26869 -0.20531 0.23017 17 7D-2 0.04574 -0.23315 0.12703 0.09240 -0.04549 18 8D 0 -0.01936 0.03957 0.02494 -0.07614 0.00241 19 8D+1 -0.02517 -0.04993 0.04474 0.06322 0.01730 20 8D-1 -0.10513 0.00534 -0.00751 -0.02274 -0.02475 21 8D+2 0.01798 -0.02517 -0.08811 -0.06722 0.07510 22 8D-2 0.01483 -0.07779 0.04367 0.03071 -0.01517 23 2 Cu 1S 0.00033 0.00012 -0.00133 0.00038 -0.00018 24 2S -0.01857 0.00665 0.09073 -0.02611 0.01963 25 3S -0.04656 -0.02321 0.15499 0.15211 -0.14379 26 4PX 0.00322 -0.01158 0.00772 0.00933 -0.00670 27 4PY 0.00335 0.00204 -0.02397 -0.02996 0.02434 28 4PZ -0.01702 -0.00016 -0.00369 -0.00902 0.00670 29 5PX 0.01128 0.00044 -0.07992 -0.03395 0.04323 30 5PY -0.03111 -0.03111 0.15353 0.11536 -0.11918 31 5PZ -0.00612 -0.01667 0.02509 0.03526 -0.03230 32 6PX 0.01467 0.00993 -0.03925 0.01889 0.01331 33 6PY -0.00380 0.01581 -0.02999 0.02793 -0.01147 34 6PZ 0.01636 0.00671 0.00664 0.01504 -0.01612 35 7D 0 0.14127 0.14826 0.51199 -0.22679 0.42363 36 7D+1 -0.15160 -0.02289 -0.11604 0.40003 0.56431 37 7D-1 0.57190 0.09798 -0.03096 0.26906 -0.02447 38 7D+2 0.16815 -0.31985 -0.14161 -0.33477 0.06117 39 7D-2 -0.04127 0.54761 -0.15078 0.07406 -0.04468 40 8D 0 0.04659 0.04752 0.16332 -0.07446 0.13650 41 8D+1 -0.05033 -0.00549 -0.03803 0.12549 0.17823 42 8D-1 0.18881 0.03201 -0.00854 0.08788 -0.00927 43 8D+2 0.05466 -0.10293 -0.04512 -0.11283 0.02252 44 8D-2 -0.01294 0.17972 -0.05150 0.02245 -0.00953 45 3 Cu 1S 0.00343 0.00132 -0.00162 -0.00459 0.00121 46 2S -0.08571 0.05524 0.05248 -0.04648 -0.00363 47 3S 0.00209 0.12789 0.06882 -0.21052 -0.03376 48 4PX -0.01471 0.00203 0.01101 -0.00047 0.00323 49 4PY -0.00433 -0.00092 0.00898 -0.00412 0.00101 50 4PZ 0.01643 -0.01251 -0.00431 0.00520 0.00678 51 5PX 0.02970 -0.03288 -0.03462 0.02624 -0.00176 52 5PY 0.01365 0.00019 -0.02319 0.01882 -0.00320 53 5PZ -0.03309 0.04201 0.00689 -0.04935 -0.01162 54 6PX -0.00126 0.00438 0.02520 0.02137 -0.00837 55 6PY 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5PZ -0.04853 -0.06116 -0.01029 0.02074 0.02786 76 6PX 0.07126 0.03194 -0.02448 0.00587 0.00350 77 6PY -0.02451 -0.03965 0.03287 -0.00944 -0.00641 78 6PZ -0.05663 -0.00589 0.00391 -0.01232 0.03091 79 7D 0 0.10299 -0.11892 -0.13127 0.07444 -0.03627 80 7D+1 -0.06562 -0.09361 0.04314 0.10877 -0.08976 81 7D-1 0.02368 0.07558 -0.06539 0.00641 0.10466 82 7D+2 -0.12105 0.02987 0.13543 0.02987 -0.07796 83 7D-2 0.03656 0.05640 -0.05844 0.00817 -0.08517 84 8D 0 0.03257 -0.04317 -0.04537 0.02647 -0.01347 85 8D+1 -0.02424 -0.03416 0.01265 0.03747 -0.03058 86 8D-1 0.00726 0.02435 -0.01926 0.00398 0.03635 87 8D+2 -0.04347 0.00850 0.04666 0.01065 -0.02645 88 8D-2 0.01302 0.01888 -0.01985 0.00269 -0.03112 89 5 Cu 1S -0.00310 0.00018 0.00075 -0.00171 0.00418 90 2S 0.09491 0.06692 0.06618 -0.00661 0.02535 91 3S 0.09144 0.09381 0.13947 -0.04227 0.12723 92 4PX 0.01209 0.00267 0.00469 -0.00638 -0.00343 93 4PY -0.00312 -0.00649 0.00823 0.00146 0.00343 94 4PZ 0.01822 0.01087 0.01433 0.00651 0.00048 95 5PX 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0.09270 -0.05038 -0.01290 -0.02948 -0.00775 135 3S 0.18406 -0.12283 -0.13951 -0.09900 -0.09402 136 4PX -0.01895 0.00446 -0.00960 0.00070 0.00973 137 4PY -0.00622 -0.00331 0.01600 -0.00133 -0.01010 138 4PZ -0.00085 -0.01851 -0.00512 0.00666 -0.00038 139 5PX 0.06354 -0.04635 -0.03331 -0.03654 -0.01166 140 5PY 0.03593 -0.02508 0.00010 0.02778 0.00208 141 5PZ -0.04181 0.02078 0.02249 0.01261 0.00672 142 6PX -0.02904 -0.00184 -0.03695 -0.01567 0.00435 143 6PY 0.00692 -0.03992 0.03418 -0.02087 -0.01722 144 6PZ -0.04996 -0.04835 -0.01461 0.02210 0.01475 145 7D 0 -0.09590 -0.12318 -0.05924 0.08304 0.04529 146 7D+1 0.01509 0.16387 -0.00041 -0.09634 0.09674 147 7D-1 0.00400 0.01164 0.03563 -0.08694 -0.09018 148 7D+2 0.08039 -0.02655 0.21450 0.10181 -0.13518 149 7D-2 0.00403 0.05693 -0.11244 0.08585 0.06116 150 8D 0 -0.03259 -0.04181 -0.02159 0.02829 0.01561 151 8D+1 0.00249 0.05610 0.00262 -0.03349 0.03193 152 8D-1 0.00026 0.00507 0.00943 -0.02969 -0.02992 153 8D+2 0.02826 -0.00937 0.07180 0.03478 -0.04425 154 8D-2 0.00336 0.01597 -0.03816 0.02953 0.01956 155 8 Cu 1S -0.00459 -0.00231 0.00320 0.00024 -0.00069 156 2S 0.01934 0.06830 -0.05188 -0.06159 0.01995 157 3S -0.13215 0.03297 -0.01662 -0.02072 0.00218 158 4PX 0.00323 -0.00303 -0.00598 -0.00065 0.00269 159 4PY 0.00694 0.00894 -0.00545 -0.00949 0.00299 160 4PZ -0.00023 0.01214 -0.01161 -0.00887 0.00060 161 5PX -0.01299 -0.00093 0.00774 -0.00322 -0.00322 162 5PY 0.01925 -0.02907 0.02356 0.03450 -0.01419 163 5PZ 0.02542 -0.03962 0.01689 0.01848 0.00523 164 6PX -0.01697 -0.03657 -0.00824 -0.00201 0.02450 165 6PY 0.03251 0.01094 -0.01981 -0.00902 0.01155 166 6PZ 0.00982 0.01170 -0.02153 -0.01364 -0.00175 167 7D 0 -0.03529 0.05641 -0.08052 -0.02568 -0.01103 168 7D+1 0.04758 -0.02198 -0.06107 -0.01249 0.05712 169 7D-1 0.03154 0.06394 -0.08250 -0.09388 0.00506 170 7D+2 -0.04855 -0.02560 0.02368 0.03237 -0.01478 171 7D-2 0.00967 -0.03569 -0.03810 0.02067 -0.00272 172 8D 0 -0.00973 0.02094 -0.02861 -0.00724 -0.00365 173 8D+1 0.01594 -0.00555 -0.02021 -0.00594 0.01989 174 8D-1 0.01134 0.02359 -0.03081 -0.03474 0.00222 175 8D+2 -0.01536 -0.01012 0.01074 0.01251 -0.00590 176 8D-2 0.00278 -0.01144 -0.01315 0.00728 -0.00223 177 9 C 1S 0.00290 -0.00347 0.00883 0.02205 -0.01733 178 2S -0.00348 0.00883 -0.02910 -0.04860 0.04004 179 3S -0.03101 0.00521 0.03161 -0.06782 0.03956 180 4PX 0.00620 -0.03595 0.01011 -0.00822 -0.01397 181 4PY -0.00379 0.00604 -0.02864 -0.07729 0.05631 182 4PZ -0.03003 -0.00658 -0.01483 -0.00691 0.00735 183 5PX 0.00502 -0.02779 0.00695 -0.01724 -0.00423 184 5PY 0.00044 -0.01139 0.02681 -0.01041 -0.00278 185 5PZ -0.03070 -0.00396 -0.00070 -0.00422 -0.00021 186 10 O 1S -0.00053 0.00060 -0.00096 -0.00340 0.00281 187 2S 0.00135 -0.00195 0.00376 0.01177 -0.00963 188 3S 0.00434 -0.00241 -0.00139 0.00513 -0.00491 189 4PX -0.01456 0.09332 -0.01355 0.04431 0.01343 190 4PY -0.00613 0.00622 0.01020 0.06450 -0.04110 191 4PZ 0.08952 0.02052 0.02621 0.00107 -0.00374 192 5PX -0.00843 0.05522 -0.00824 0.02913 0.00670 193 5PY -0.00461 0.00738 -0.00543 0.02232 -0.00974 194 5PZ 0.05407 0.01139 0.01325 0.00081 -0.00051 46 47 48 49 50 O O O O O EIGENVALUES -- -0.32174 -0.31518 -0.31325 -0.30804 -0.30140 1 1 Cu 1S 0.00073 -0.00429 0.00018 0.00278 0.00183 2 2S 0.02753 0.02463 0.05042 0.03313 0.05863 3 3S -0.01405 -0.29399 0.09591 0.04920 0.21810 4 4PX -0.00923 -0.01023 0.00113 0.00689 0.00945 5 4PY 0.00019 0.00632 0.00154 -0.01192 0.00087 6 4PZ -0.01341 0.00613 0.00986 0.00956 -0.00105 7 5PX -0.01621 0.05958 -0.00313 -0.02477 -0.06033 8 5PY 0.00655 0.05335 -0.03153 0.00940 -0.03003 9 5PZ 0.00979 -0.01354 -0.02023 -0.01327 -0.00367 10 6PX 0.02240 0.08375 -0.05118 0.06106 0.05615 11 6PY -0.02619 -0.03905 0.02506 -0.06602 -0.07301 12 6PZ -0.15255 -0.12358 0.05670 0.01014 -0.08222 13 7D 0 0.39618 -0.09247 0.35035 0.01570 -0.10486 14 7D+1 -0.16509 0.09021 0.42515 -0.01178 0.19541 15 7D-1 -0.04126 0.06211 -0.02173 0.44977 -0.22277 16 7D+2 -0.15202 -0.15834 0.11396 0.08755 0.11742 17 7D-2 -0.00286 -0.19937 0.06816 -0.18402 -0.15080 18 8D 0 0.13325 -0.02982 0.11678 0.00432 -0.03573 19 8D+1 -0.05590 0.03102 0.14268 -0.00375 0.06408 20 8D-1 -0.01359 0.02054 -0.00770 0.14723 -0.07490 21 8D+2 -0.04890 -0.05196 0.03516 0.02744 0.03897 22 8D-2 0.00013 -0.06949 0.02214 -0.05934 -0.04709 23 2 Cu 1S -0.00054 -0.00279 -0.00165 0.00127 0.00070 24 2S -0.02603 0.18712 -0.02700 -0.05828 0.01383 25 3S 0.01671 0.29681 -0.18054 0.00213 0.09463 26 4PX 0.00106 0.00530 -0.00307 -0.00239 -0.00315 27 4PY -0.00048 -0.01582 0.01129 -0.00346 -0.00281 28 4PZ -0.00226 0.00127 0.00383 0.00267 -0.00130 29 5PX -0.02164 -0.04258 0.03667 -0.00031 -0.00984 30 5PY 0.01209 0.16124 -0.13181 0.02453 0.01453 31 5PZ -0.00942 0.01382 -0.00592 0.02337 -0.00373 32 6PX -0.06728 0.00129 0.00519 -0.00594 -0.02685 33 6PY 0.00401 -0.00723 -0.00511 -0.01287 -0.00198 34 6PZ -0.00502 0.04764 -0.02635 0.04485 -0.01375 35 7D 0 -0.15459 -0.07721 -0.07571 0.13000 0.01570 36 7D+1 0.32620 0.11741 -0.11077 -0.02199 -0.03830 37 7D-1 0.09527 0.09461 0.11643 0.35065 -0.13501 38 7D+2 0.11432 0.48583 0.09069 -0.01961 -0.00193 39 7D-2 -0.20616 0.29090 0.14000 -0.24318 -0.07396 40 8D 0 -0.05112 -0.02122 -0.02269 0.04112 0.00354 41 8D+1 0.10245 0.03635 -0.03561 -0.00908 -0.01121 42 8D-1 0.02828 0.02978 0.03914 0.11239 -0.04130 43 8D+2 0.03661 0.15479 0.02826 -0.00452 -0.00009 44 8D-2 -0.06785 0.09242 0.04457 -0.07612 -0.02287 45 3 Cu 1S 0.00069 -0.00349 -0.00168 -0.00106 -0.00165 46 2S -0.00138 0.06363 0.03197 0.00454 -0.02076 47 3S -0.04404 -0.07243 0.00019 -0.01549 -0.14174 48 4PX 0.00214 0.00353 0.00797 0.00200 -0.00497 49 4PY -0.01079 0.00759 -0.00497 -0.00486 0.00109 50 4PZ -0.00194 -0.00843 -0.00082 -0.00398 -0.00014 51 5PX -0.00427 0.00797 -0.00656 0.00043 0.03206 52 5PY 0.03732 0.00123 -0.00689 -0.00461 0.00353 53 5PZ 0.00336 -0.00592 0.00462 0.00745 -0.00924 54 6PX -0.00031 -0.02363 0.03661 -0.00821 -0.01099 55 6PY -0.06307 -0.01109 0.00836 -0.00290 -0.00447 56 6PZ -0.00659 -0.01447 -0.00095 -0.03421 -0.03351 57 7D 0 0.01627 0.04950 -0.09040 0.08536 -0.01525 58 7D+1 -0.05815 -0.00326 -0.07926 -0.08206 -0.00587 59 7D-1 0.15583 -0.09735 0.05690 0.14876 -0.07735 60 7D+2 0.02972 0.00257 0.06279 0.06561 -0.08789 61 7D-2 -0.06888 0.01547 -0.13624 -0.07218 0.00145 62 8D 0 0.00390 0.01678 -0.03006 0.02899 -0.00452 63 8D+1 -0.02104 0.00076 -0.02849 -0.02933 -0.00319 64 8D-1 0.05225 -0.03366 0.01784 0.04819 -0.02452 65 8D+2 0.01051 0.00111 0.02090 0.02196 -0.03104 66 8D-2 -0.02471 0.00240 -0.04867 -0.02348 -0.00046 67 4 Cu 1S 0.00252 -0.00171 0.00163 -0.00041 -0.00169 68 2S -0.04864 0.07100 0.08063 -0.01017 -0.04512 69 3S -0.00078 0.02045 0.23841 0.06126 -0.04869 70 4PX -0.00347 -0.00607 -0.00862 -0.00453 -0.00593 71 4PY 0.00909 0.01028 -0.01519 -0.00527 -0.00533 72 4PZ 0.01219 -0.00466 -0.00676 0.00135 0.00842 73 5PX -0.00121 0.00309 0.04862 0.01376 0.00887 74 5PY -0.01247 -0.00268 0.03485 0.00088 0.00802 75 5PZ -0.02518 0.00821 0.06072 0.01689 -0.03224 76 6PX -0.03999 -0.01860 0.00031 -0.00746 -0.03304 77 6PY 0.05480 -0.00072 -0.00312 -0.03492 0.01285 78 6PZ 0.06096 0.02091 0.00667 0.02787 0.02853 79 7D 0 -0.16233 -0.06119 -0.04368 -0.04869 -0.26257 80 7D+1 0.03554 -0.00692 -0.00282 0.09597 0.30717 81 7D-1 -0.19973 -0.15659 0.18126 0.06532 0.09273 82 7D+2 0.03258 -0.05244 0.01369 0.06245 -0.15146 83 7D-2 -0.00204 -0.08050 0.23658 0.11333 0.05364 84 8D 0 -0.05806 -0.02092 -0.01435 -0.01454 -0.08874 85 8D+1 0.01041 -0.00397 0.00063 0.03413 0.10295 86 8D-1 -0.06990 -0.05269 0.06037 0.02110 0.03023 87 8D+2 0.00975 -0.02039 0.00330 0.02181 -0.05311 88 8D-2 0.00107 -0.02517 0.08022 0.03707 0.01976 89 5 Cu 1S -0.00061 -0.00052 0.00336 0.00063 -0.00089 90 2S 0.05561 0.04321 0.02219 -0.07521 -0.00657 91 3S 0.10747 0.02110 0.10699 -0.10113 -0.04332 92 4PX 0.00400 -0.00446 -0.00380 -0.00891 -0.00826 93 4PY -0.01445 0.00735 -0.00951 0.00629 -0.00317 94 4PZ 0.00678 0.00824 0.00079 -0.00800 0.00398 95 5PX -0.02362 0.01086 0.00014 0.02706 0.02975 96 5PY 0.02986 0.00139 0.03150 -0.02408 -0.00106 97 5PZ -0.04079 -0.00279 -0.02355 0.02825 -0.00134 98 6PX 0.03645 -0.02381 -0.00825 -0.02886 -0.01574 99 6PY -0.03729 0.06669 -0.03358 0.02074 -0.02016 100 6PZ -0.00634 0.02693 -0.04153 0.00732 0.02524 101 7D 0 -0.02153 0.10990 -0.04288 0.01203 0.14171 102 7D+1 0.03332 -0.09460 -0.07424 -0.07041 -0.04375 103 7D-1 -0.13595 0.11169 -0.11810 0.14720 -0.10289 104 7D+2 -0.06215 0.00248 -0.10753 -0.03488 -0.10106 105 7D-2 -0.12351 0.06445 0.04829 0.10656 -0.00894 106 8D 0 -0.00619 0.03588 -0.01574 0.00332 0.04944 107 8D+1 0.01443 -0.03530 -0.02625 -0.02527 -0.01371 108 8D-1 -0.04743 0.03730 -0.04072 0.04888 -0.03363 109 8D+2 -0.02000 0.00188 -0.03756 -0.01134 -0.03401 110 8D-2 -0.04572 0.02169 0.01860 0.03921 -0.00216 111 6 Cu 1S -0.00139 0.00278 -0.00148 -0.00002 0.00059 112 2S -0.07904 0.01469 -0.00041 0.02494 0.02080 113 3S -0.17204 0.12159 -0.07220 0.04549 0.06650 114 4PX 0.00813 0.00009 0.00270 -0.00931 -0.01143 115 4PY -0.01489 -0.00294 0.00431 -0.00191 -0.00699 116 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177 9 C 1S -0.01063 -0.00183 -0.00480 -0.00284 0.00543 178 2S 0.02173 0.00113 0.01053 0.00533 -0.00970 179 3S 0.04697 0.02297 0.01683 0.01725 -0.03643 180 4PX -0.02497 0.00128 -0.00541 0.00373 -0.00495 181 4PY 0.02963 0.00472 0.01418 0.00882 -0.01558 182 4PZ -0.01038 0.00182 0.00049 0.00443 -0.01302 183 5PX -0.00627 -0.00190 -0.00492 0.00192 -0.00210 184 5PY 0.01103 0.00797 -0.01144 0.00350 0.00165 185 5PZ -0.00658 0.00343 -0.00286 0.00689 -0.00031 186 10 O 1S 0.00217 0.00042 0.00110 0.00060 -0.00123 187 2S -0.00707 -0.00118 -0.00202 -0.00178 0.00247 188 3S -0.00575 -0.00196 -0.00964 -0.00237 0.01024 189 4PX 0.03710 -0.00397 0.00549 -0.00693 0.01051 190 4PY -0.02310 -0.00533 -0.01010 -0.00797 0.01250 191 4PZ 0.02141 -0.00283 0.00079 -0.00550 0.01866 192 5PX 0.01858 -0.00171 0.00400 -0.00418 0.00622 193 5PY -0.00743 -0.00317 -0.00209 -0.00324 0.00551 194 5PZ 0.01338 -0.00212 0.00131 -0.00430 0.00880 56 57 58 59 60 O O O O O EIGENVALUES -- -0.28540 -0.28353 -0.28121 -0.27848 -0.27663 1 1 Cu 1S 0.00262 0.00133 -0.00042 -0.00043 -0.00083 2 2S -0.00234 0.00069 -0.00826 0.00797 -0.00646 3 3S 0.13205 0.03235 0.00110 -0.05888 -0.05324 4 4PX 0.00414 -0.00423 -0.00125 -0.00778 -0.01100 5 4PY -0.00220 0.00154 0.00301 0.01050 0.01215 6 4PZ 0.00023 0.01515 0.00960 0.03840 -0.00475 7 5PX -0.06318 0.02212 0.02317 0.03892 0.05201 8 5PY 0.00241 -0.00465 -0.00671 -0.03570 -0.03911 9 5PZ 0.04588 -0.03830 -0.01267 -0.15817 0.03983 10 6PX 0.00931 -0.02350 0.01634 0.02379 0.04974 11 6PY -0.03896 0.01383 -0.01808 -0.02058 -0.04463 12 6PZ -0.02105 0.05096 -0.05595 -0.04759 0.03666 13 7D 0 -0.02203 0.17413 0.01766 -0.01982 -0.05864 14 7D+1 -0.10173 -0.07903 -0.09258 -0.25457 0.00009 15 7D-1 -0.07029 -0.07889 0.07543 -0.15047 0.00778 16 7D+2 0.10156 0.12186 -0.02008 0.12235 0.36199 17 7D-2 0.13353 0.15757 -0.00171 -0.00354 -0.11567 18 8D 0 -0.00886 0.05646 0.00592 -0.00567 -0.01720 19 8D+1 -0.03480 -0.02496 -0.02924 -0.08061 -0.00028 20 8D-1 -0.02368 -0.02597 0.02302 -0.04844 0.00243 21 8D+2 0.03329 0.03941 -0.00593 0.03840 0.11668 22 8D-2 0.04385 0.05000 -0.00103 -0.00204 -0.03605 23 2 Cu 1S -0.00183 -0.00100 -0.00038 -0.00058 0.00020 24 2S 0.00519 0.00940 -0.00550 0.01586 0.00524 25 3S -0.10194 -0.09982 0.00516 0.02759 -0.02686 26 4PX -0.00750 0.00545 0.00497 0.00247 0.01099 27 4PY 0.00652 0.00839 -0.00733 -0.00436 -0.00640 28 4PZ 0.01407 -0.00030 0.01845 -0.01432 -0.00345 29 5PX 0.03143 -0.02007 -0.01141 -0.01294 -0.05294 30 5PY -0.01888 -0.03891 0.01769 -0.00203 0.00922 31 5PZ -0.03513 -0.00092 -0.07638 0.09651 0.02350 32 6PX 0.00404 0.01506 -0.00821 -0.00110 -0.01791 33 6PY -0.03797 -0.01966 0.00999 0.01159 -0.00580 34 6PZ 0.02768 -0.04572 0.00412 0.01032 -0.00303 35 7D 0 -0.00753 0.03441 0.07748 -0.04040 -0.05311 36 7D+1 -0.06729 0.07785 -0.12687 -0.02554 0.00626 37 7D-1 0.01119 -0.11408 0.10296 -0.10333 0.06967 38 7D+2 0.17609 -0.01292 -0.05937 -0.06430 -0.11500 39 7D-2 0.13072 0.13349 -0.02078 -0.01609 0.04150 40 8D 0 0.00093 0.01039 0.02271 -0.01369 -0.01639 41 8D+1 -0.02035 0.02252 -0.03697 -0.00600 0.00236 42 8D-1 0.00455 -0.03340 0.03514 -0.03038 0.02091 43 8D+2 0.05410 -0.00472 -0.01717 -0.02007 -0.03809 44 8D-2 0.03803 0.04111 -0.00489 -0.00503 0.01285 45 3 Cu 1S 0.00059 -0.00098 -0.00296 -0.00200 0.00018 46 2S 0.06018 0.02411 0.05116 0.06889 0.01633 47 3S 0.10879 0.01579 -0.07705 -0.04247 0.04838 48 4PX 0.00718 0.00121 0.00597 0.00474 0.00172 49 4PY 0.00322 -0.00356 0.00213 -0.00497 -0.00042 50 4PZ -0.00298 -0.00283 -0.00328 -0.00673 -0.00147 51 5PX -0.02687 0.00061 0.00478 -0.00172 -0.00234 52 5PY -0.00301 -0.00108 -0.00036 -0.01793 -0.00323 53 5PZ 0.03178 0.00507 -0.01446 -0.01031 0.01593 54 6PX -0.00197 0.00240 0.00830 0.00038 -0.01101 55 6PY -0.00642 0.00974 -0.00724 -0.01590 0.00827 56 6PZ 0.00211 0.00737 -0.00658 -0.00551 -0.00439 57 7D 0 -0.24996 0.00289 -0.04361 0.12787 0.12625 58 7D+1 0.00009 -0.03420 -0.07675 -0.06866 0.14390 59 7D-1 -0.04071 0.16457 0.02768 0.31402 0.03489 60 7D+2 0.17068 -0.13925 0.07044 0.08396 0.25570 61 7D-2 0.06532 -0.13222 0.10724 -0.17623 0.24315 62 8D 0 -0.08321 0.00057 -0.01499 0.04235 0.04343 63 8D+1 0.00004 -0.01127 -0.02486 -0.02263 0.04864 64 8D-1 -0.01189 0.05618 0.00928 0.10473 0.01098 65 8D+2 0.05697 -0.04705 0.02360 0.02726 0.08454 66 8D-2 0.02296 -0.04602 0.03663 -0.05936 0.08211 67 4 Cu 1S 0.00056 -0.00165 -0.00073 -0.00167 0.00072 68 2S 0.01881 0.02966 0.06737 0.03433 0.00893 69 3S -0.00658 0.07443 0.08160 -0.00424 0.02697 70 4PX -0.00936 0.00020 -0.00846 -0.00523 -0.00465 71 4PY 0.00207 -0.00280 -0.00072 -0.00409 0.00144 72 4PZ 0.00498 -0.00382 -0.00411 -0.00242 0.00289 73 5PX 0.01242 -0.00284 0.03297 0.00666 0.02495 74 5PY -0.00940 0.01999 0.01327 0.00378 0.00509 75 5PZ -0.00671 0.02403 0.02073 0.00733 -0.00868 76 6PX -0.04054 0.01875 0.00194 0.00955 -0.01358 77 6PY -0.01602 0.01782 0.00204 -0.01166 0.02287 78 6PZ 0.02012 -0.00236 0.00365 0.00367 0.00383 79 7D 0 -0.06518 0.05657 -0.13146 -0.12891 -0.01088 80 7D+1 -0.16031 0.03549 -0.19838 -0.13234 -0.04228 81 7D-1 0.03317 -0.12924 0.02318 -0.02437 -0.17980 82 7D+2 0.35205 -0.13580 -0.14125 0.00162 0.15354 83 7D-2 -0.01846 0.10517 -0.12849 0.19646 -0.16408 84 8D 0 -0.01973 0.01816 -0.04323 -0.04097 -0.00334 85 8D+1 -0.05249 0.01209 -0.06349 -0.04283 -0.01385 86 8D-1 0.01144 -0.04199 0.00720 -0.00711 -0.05832 87 8D+2 0.11665 -0.04507 -0.04765 -0.00069 0.04950 88 8D-2 -0.00807 0.03473 -0.04161 0.06507 -0.05436 89 5 Cu 1S 0.00140 -0.00032 0.00031 0.00246 -0.00076 90 2S -0.06299 -0.03677 -0.07972 -0.01598 0.02088 91 3S -0.02233 0.01188 -0.10663 0.01036 -0.00836 92 4PX -0.00681 -0.00297 -0.00369 -0.00038 -0.00102 93 4PY 0.00089 0.00763 0.00530 0.00244 -0.00237 94 4PZ -0.00422 0.00010 -0.00480 -0.00343 0.00393 95 5PX 0.00989 0.01938 0.02448 -0.00978 0.00754 96 5PY -0.00783 -0.01191 -0.03439 0.02818 0.01049 97 5PZ 0.01252 -0.00685 0.00989 0.01599 -0.00243 98 6PX -0.01909 -0.00339 0.01118 -0.01016 -0.01130 99 6PY 0.01094 -0.00970 -0.00725 0.00755 -0.02049 100 6PZ 0.01062 -0.01789 0.00841 0.01464 -0.01030 101 7D 0 0.11909 0.14151 0.14968 0.15791 -0.11255 102 7D+1 -0.00738 0.16499 -0.10618 -0.07056 0.09752 103 7D-1 -0.08210 -0.03822 -0.12796 0.32462 0.00448 104 7D+2 -0.08199 0.17009 0.20468 -0.06833 -0.13431 105 7D-2 -0.07271 0.34359 -0.07926 -0.12133 0.19362 106 8D 0 0.04011 0.04739 0.04922 0.05210 -0.03830 107 8D+1 -0.00267 0.05522 -0.03578 -0.02334 0.03302 108 8D-1 -0.02705 -0.01228 -0.04402 0.10803 -0.00036 109 8D+2 -0.02686 0.05468 0.06976 -0.02197 -0.04606 110 8D-2 -0.02539 0.11576 -0.02784 -0.04133 0.06525 111 6 Cu 1S -0.00001 0.00068 -0.00101 0.00086 0.00189 112 2S -0.05929 -0.00519 -0.01499 0.00523 -0.02111 113 3S -0.09880 -0.00709 -0.10161 0.02321 0.09006 114 4PX 0.00136 0.00033 0.00299 0.00043 0.00588 115 4PY -0.00683 -0.00061 0.00382 0.00008 0.00022 116 4PZ 0.00461 -0.00105 0.00903 0.00118 -0.00047 117 5PX -0.02794 0.00053 -0.01702 0.01352 -0.00121 118 5PY 0.02054 -0.00034 0.00006 0.00781 -0.01549 119 5PZ -0.01446 0.02400 -0.03436 0.01081 0.01030 120 6PX -0.00432 -0.01042 -0.01756 0.00689 0.02825 121 6PY 0.01255 0.01280 0.03053 -0.00259 0.00252 122 6PZ -0.00723 0.00520 0.01662 -0.00380 0.01790 123 7D 0 -0.12861 0.20365 0.18168 -0.01888 0.08057 124 7D+1 0.14372 0.10245 -0.21661 -0.19068 -0.11564 125 7D-1 0.20717 0.06189 0.07270 0.05810 -0.06357 126 7D+2 0.17461 0.05361 -0.04038 -0.06235 0.08491 127 7D-2 0.00140 -0.01106 -0.19887 0.02687 -0.07674 128 8D 0 -0.04533 0.06884 0.06242 -0.00659 0.02922 129 8D+1 0.04997 0.03436 -0.07147 -0.06204 -0.03866 130 8D-1 0.07060 0.01856 0.02169 0.01912 -0.02085 131 8D+2 0.05659 0.01811 -0.01222 -0.02035 0.02674 132 8D-2 0.00131 -0.00512 -0.06720 0.00960 -0.02538 133 7 Cu 1S 0.00121 0.00040 0.00118 0.00007 -0.00041 134 2S -0.07729 0.00443 -0.00372 0.00290 0.00836 135 3S 0.01377 0.03815 0.07975 -0.02572 -0.03628 136 4PX 0.00486 -0.00249 0.00250 0.00417 -0.00178 137 4PY 0.00896 0.00625 -0.00167 0.00080 0.00241 138 4PZ 0.00572 0.00290 0.00120 0.00433 0.00022 139 5PX -0.01323 0.02869 0.01469 -0.01996 -0.00144 140 5PY -0.03403 -0.01853 0.01935 0.01799 0.00077 141 5PZ -0.02611 0.00619 0.02054 -0.00781 0.00857 142 6PX 0.00795 -0.00348 0.01006 -0.01753 -0.01473 143 6PY 0.03982 -0.01045 0.00935 0.00760 0.02014 144 6PZ 0.00770 -0.00774 0.01014 -0.00328 0.00049 145 7D 0 0.04217 0.12070 0.20126 -0.02443 0.00628 146 7D+1 -0.19184 -0.00033 -0.12957 -0.17782 -0.07792 147 7D-1 -0.09034 -0.11361 0.22735 0.01132 0.07343 148 7D+2 0.15364 0.18241 -0.11891 0.01594 0.17205 149 7D-2 0.27203 -0.01779 0.14162 -0.11194 -0.13896 150 8D 0 0.01290 0.03718 0.06534 -0.00882 0.00106 151 8D+1 -0.06119 -0.00178 -0.04089 -0.05616 -0.02524 152 8D-1 -0.03155 -0.03637 0.07723 0.00530 0.02362 153 8D+2 0.05060 0.05972 -0.04051 0.00568 0.05521 154 8D-2 0.08973 -0.00643 0.04859 -0.03523 -0.04536 155 8 Cu 1S 0.00047 0.00044 0.00108 0.00289 0.00039 156 2S -0.04815 -0.05273 -0.04271 -0.04542 -0.02406 157 3S -0.04322 -0.06386 0.10984 0.07986 -0.05560 158 4PX -0.00247 0.00483 0.00559 0.00232 -0.00156 159 4PY -0.00638 -0.00919 -0.00287 -0.00154 0.00035 160 4PZ -0.00039 -0.00005 -0.00298 -0.00853 -0.00374 161 5PX -0.00700 -0.00205 -0.02941 0.01136 0.00614 162 5PY 0.02046 0.02775 -0.01413 -0.00965 0.00810 163 5PZ 0.00334 0.00741 -0.00773 -0.00403 0.01563 164 6PX 0.00306 0.02097 0.01764 0.00476 0.01063 165 6PY 0.01674 -0.03008 -0.01823 0.00081 0.00743 166 6PZ -0.00229 0.02862 -0.01341 -0.02815 0.00298 167 7D 0 0.19990 0.15111 -0.05793 -0.11695 -0.27987 168 7D+1 0.02519 0.16478 -0.18071 0.15683 0.02286 169 7D-1 -0.00470 0.09505 0.16339 -0.23139 0.20022 170 7D+2 -0.04228 0.32275 0.02478 -0.16284 0.08054 171 7D-2 -0.10485 0.10590 0.31397 0.02306 -0.15289 172 8D 0 0.06865 0.04868 -0.02198 -0.03903 -0.09429 173 8D+1 0.00903 0.05438 -0.06005 0.05354 0.00821 174 8D-1 -0.00122 0.03219 0.05550 -0.07941 0.06713 175 8D+2 -0.01635 0.10919 0.00689 -0.05411 0.02895 176 8D-2 -0.03587 0.03404 0.10706 0.00821 -0.05139 177 9 C 1S -0.01112 -0.00743 0.00422 0.00420 0.00648 178 2S 0.02139 0.01388 -0.00783 -0.00860 -0.01480 179 3S 0.05953 0.03877 -0.02166 -0.01675 -0.01912 180 4PX -0.00289 -0.01853 0.00026 0.00137 -0.01176 181 4PY 0.03457 0.01608 -0.00866 -0.01503 -0.02246 182 4PZ -0.00947 0.01183 -0.02450 0.01647 -0.00284 183 5PX -0.00496 -0.00134 0.00348 0.00116 -0.00106 184 5PY -0.00002 -0.00001 -0.00772 -0.00097 -0.00459 185 5PZ -0.00292 0.00349 -0.00096 -0.00771 -0.00049 186 10 O 1S 0.00227 0.00165 -0.00085 -0.00065 -0.00138 187 2S -0.00559 -0.00433 0.00320 0.00205 0.00453 188 3S -0.01375 -0.00922 0.00064 0.00183 0.00298 189 4PX -0.00161 0.02549 0.00226 0.00009 0.02105 190 4PY -0.02826 -0.01030 0.00540 0.01170 0.01996 191 4PZ 0.02033 -0.01407 0.03905 -0.02608 0.00063 192 5PX -0.00005 0.01220 0.00084 -0.00002 0.01199 193 5PY -0.01108 -0.00238 0.00122 0.00403 0.00743 194 5PZ 0.01085 -0.00645 0.01958 -0.01065 -0.00075 61 62 63 64 65 O O O O O EIGENVALUES -- -0.27540 -0.27123 -0.26982 -0.26740 -0.26529 1 1 Cu 1S 0.00069 0.00083 0.00006 0.00060 -0.00068 2 2S -0.00936 -0.03514 0.05798 -0.05554 -0.01000 3 3S 0.04361 0.07077 -0.01613 0.02498 -0.04234 4 4PX -0.01147 -0.00442 -0.00988 0.01066 -0.00387 5 4PY 0.01549 0.01429 -0.00504 -0.00245 0.00527 6 4PZ 0.01539 -0.00034 -0.00413 0.00148 -0.00856 7 5PX 0.04075 0.00012 0.05216 -0.04784 0.02954 8 5PY -0.06759 -0.06879 0.01098 0.00619 -0.01593 9 5PZ -0.08929 0.01784 -0.00128 -0.01143 0.04885 10 6PX 0.01449 -0.03456 0.02636 -0.02200 0.04584 11 6PY -0.02567 -0.00238 0.01752 -0.02428 -0.04599 12 6PZ -0.05803 0.07063 0.03311 -0.00899 -0.03013 13 7D 0 0.13091 0.02798 -0.03367 0.14099 0.12592 14 7D+1 0.02532 0.01685 0.00175 0.08916 0.13404 15 7D-1 -0.12716 0.04177 0.02894 0.03147 0.10132 16 7D+2 0.14551 -0.07493 -0.04203 -0.04377 0.26609 17 7D-2 -0.12117 -0.12740 0.08063 -0.13377 0.15378 18 8D 0 0.03965 0.00789 -0.01250 0.04456 0.03896 19 8D+1 0.00770 0.00469 0.00099 0.02614 0.04068 20 8D-1 -0.03903 0.01415 0.00963 0.00935 0.03145 21 8D+2 0.04560 -0.02417 -0.01475 -0.01356 0.08439 22 8D-2 -0.03761 -0.04007 0.02472 -0.04122 0.04645 23 2 Cu 1S -0.00040 -0.00075 -0.00064 0.00015 0.00005 24 2S -0.00036 0.00907 0.00555 -0.00639 0.00025 25 3S -0.02376 -0.01284 -0.05954 0.02986 0.05140 26 4PX -0.00609 -0.02014 -0.00895 0.00488 0.00776 27 4PY -0.00390 -0.00053 0.00414 0.00872 -0.00185 28 4PZ 0.00861 -0.00404 -0.00610 -0.00626 -0.00070 29 5PX 0.01328 0.08967 0.03355 -0.03367 -0.03083 30 5PY 0.01491 0.01172 -0.02410 0.00273 0.01866 31 5PZ -0.05545 0.02650 0.03934 0.04893 0.00799 32 6PX 0.00670 0.02366 0.00532 -0.00769 0.01988 33 6PY -0.00028 0.00058 -0.00431 -0.01177 0.00621 34 6PZ 0.02077 -0.00066 0.01642 0.00419 0.04486 35 7D 0 0.01474 0.07341 0.05474 -0.02004 0.04380 36 7D+1 -0.06371 0.03344 0.02512 0.08321 0.00806 37 7D-1 0.08281 -0.04552 -0.11444 -0.06481 -0.01262 38 7D+2 0.05952 0.15458 0.06212 0.00197 -0.13475 39 7D-2 -0.01040 -0.12028 -0.02146 0.06909 0.01995 40 8D 0 0.00499 0.01959 0.01567 -0.00470 0.01002 41 8D+1 -0.01861 0.00886 0.00783 0.02571 0.00332 42 8D-1 0.02581 -0.01411 -0.03469 -0.02147 -0.00300 43 8D+2 0.01726 0.04938 0.01978 0.00005 -0.04059 44 8D-2 -0.00403 -0.03602 -0.00715 0.02127 0.00850 45 3 Cu 1S -0.00170 -0.00043 -0.00027 0.00079 -0.00009 46 2S 0.01079 -0.00428 0.04153 -0.03857 -0.00259 47 3S -0.09329 -0.03037 0.08054 -0.01089 0.00349 48 4PX -0.00224 -0.00056 0.00510 -0.00179 0.00256 49 4PY 0.00153 0.00106 0.00108 0.00065 -0.00108 50 4PZ -0.00310 0.00205 -0.00383 0.00406 0.00007 51 5PX 0.00394 -0.00158 -0.03134 0.01029 -0.01304 52 5PY -0.01247 0.00375 -0.01755 -0.01105 0.01318 53 5PZ -0.03006 -0.02165 0.01616 -0.00192 0.00346 54 6PX 0.00167 0.01566 -0.01580 0.00992 -0.02204 55 6PY -0.00927 0.02393 -0.00628 0.01057 -0.00624 56 6PZ -0.02315 -0.00710 0.01479 0.01272 0.00081 57 7D 0 0.20404 0.41395 0.08088 -0.11923 0.13524 58 7D+1 -0.22223 0.04905 0.44553 -0.12072 0.31778 59 7D-1 0.13802 -0.30957 0.24438 0.03809 -0.14826 60 7D+2 -0.15866 0.19362 -0.02341 0.04382 0.12147 61 7D-2 0.14608 -0.22531 0.13205 0.11483 -0.08592 62 8D 0 0.06762 0.13699 0.02608 -0.03964 0.04306 63 8D+1 -0.07616 0.01586 0.14734 -0.03871 0.10506 64 8D-1 0.04628 -0.10239 0.08105 0.01198 -0.04812 65 8D+2 -0.05214 0.06428 -0.00760 0.01440 0.04034 66 8D-2 0.05012 -0.07509 0.04433 0.03873 -0.02938 67 4 Cu 1S 0.00046 0.00019 0.00027 0.00002 -0.00040 68 2S -0.02950 -0.03616 -0.01443 -0.01355 0.03040 69 3S -0.06927 0.04894 -0.05020 -0.05923 -0.01008 70 4PX 0.00708 0.00190 -0.00063 -0.00196 0.00057 71 4PY 0.00167 -0.00063 0.00412 0.00504 -0.00212 72 4PZ -0.00110 0.00310 0.00942 0.00550 -0.00171 73 5PX -0.05456 -0.00341 0.00104 0.01523 -0.00165 74 5PY -0.01015 0.00640 -0.03220 -0.02876 0.01279 75 5PZ 0.00419 0.00306 -0.03822 -0.03796 -0.00521 76 6PX -0.00177 0.04153 0.02646 0.01450 0.00659 77 6PY -0.02896 -0.00764 -0.02757 -0.01899 -0.02244 78 6PZ -0.00112 -0.01622 -0.01299 -0.02208 0.00225 79 7D 0 0.06804 0.11603 0.16638 0.36804 -0.08296 80 7D+1 0.27542 -0.08206 -0.02710 0.01268 0.03588 81 7D-1 0.10739 0.09739 0.23199 0.29777 -0.07619 82 7D+2 0.29873 0.08862 0.19513 0.03872 -0.14366 83 7D-2 -0.22779 0.14874 0.13247 0.01509 -0.04962 84 8D 0 0.02200 0.03809 0.05498 0.11813 -0.02657 85 8D+1 0.09079 -0.02764 -0.01068 0.00378 0.00941 86 8D-1 0.03593 0.03160 0.07505 0.09643 -0.02592 87 8D+2 0.09755 0.02748 0.06230 0.01235 -0.04534 88 8D-2 -0.07544 0.05062 0.04241 0.00516 -0.01645 89 5 Cu 1S 0.00035 -0.00114 -0.00125 0.00066 -0.00031 90 2S 0.02245 -0.00078 0.03232 -0.04352 -0.00827 91 3S 0.09247 -0.09035 -0.03793 -0.07623 -0.02117 92 4PX 0.00330 -0.00259 0.00036 -0.00478 0.00002 93 4PY -0.00087 0.00160 -0.00146 0.00386 0.00137 94 4PZ 0.00170 0.00147 0.00213 -0.00394 -0.00175 95 5PX -0.02140 0.00449 0.00107 0.02870 -0.01168 96 5PY 0.01253 -0.00336 -0.00673 -0.01031 -0.00289 97 5PZ -0.01842 0.02434 0.00125 0.01858 0.02179 98 6PX -0.01326 0.00445 -0.00698 0.01061 -0.02652 99 6PY 0.02335 0.00151 -0.00952 -0.00630 0.03080 100 6PZ -0.00117 0.01903 0.01090 0.01866 0.03484 101 7D 0 0.03707 0.19959 0.05260 0.11007 0.20604 102 7D+1 -0.25471 0.01754 -0.14278 0.35369 -0.08208 103 7D-1 -0.11576 0.02735 -0.08146 0.09177 -0.12938 104 7D+2 0.24939 0.01678 0.03946 -0.06601 0.12270 105 7D-2 0.00468 -0.08303 -0.04555 -0.24183 -0.10917 106 8D 0 0.01057 0.06437 0.01830 0.03635 0.06669 107 8D+1 -0.08489 0.00751 -0.04614 0.11528 -0.02636 108 8D-1 -0.03824 0.00843 -0.02674 0.02953 -0.04335 109 8D+2 0.08253 0.00461 0.01292 -0.02108 0.04076 110 8D-2 0.00019 -0.02713 -0.01503 -0.07922 -0.03701 111 6 Cu 1S 0.00172 0.00094 -0.00038 -0.00026 -0.00028 112 2S -0.02696 -0.04849 0.01390 -0.00162 0.00333 113 3S 0.02481 -0.05266 0.02057 0.00736 0.01558 114 4PX 0.00356 0.00347 -0.00128 -0.00062 -0.00050 115 4PY -0.00121 -0.00394 0.00012 0.00303 0.00309 116 4PZ 0.00010 -0.00174 -0.00608 -0.00278 0.00407 117 5PX 0.00197 -0.00519 0.00869 -0.00047 0.01428 118 5PY -0.00383 0.01715 -0.01470 -0.01513 -0.00387 119 5PZ -0.00521 0.01294 0.00097 0.00461 -0.02445 120 6PX -0.00869 -0.01934 -0.00265 -0.00315 0.01777 121 6PY -0.01933 0.00460 -0.01275 -0.00345 0.00418 122 6PZ -0.02474 -0.01395 -0.03393 -0.00995 -0.02484 123 7D 0 -0.02706 0.13342 0.11653 0.04167 -0.07366 124 7D+1 0.10308 0.07568 -0.03971 -0.04198 0.14612 125 7D-1 0.05073 0.06142 -0.08154 -0.03128 0.07358 126 7D+2 -0.04824 -0.10544 0.09179 0.07808 -0.20350 127 7D-2 0.05864 -0.17445 0.18516 0.04789 0.24246 128 8D 0 -0.01050 0.04380 0.03790 0.01255 -0.02442 129 8D+1 0.03501 0.02449 -0.01429 -0.01386 0.04743 130 8D-1 0.01771 0.01972 -0.02663 -0.01165 0.02430 131 8D+2 -0.01630 -0.03489 0.02997 0.02548 -0.06641 132 8D-2 0.01979 -0.05796 0.06057 0.01584 0.07998 133 7 Cu 1S 0.00014 0.00091 0.00061 0.00071 0.00001 134 2S -0.01444 -0.03646 0.00694 -0.01206 0.01081 135 3S -0.01792 0.03355 0.05290 0.02918 0.00556 136 4PX -0.00196 0.00094 0.00332 0.00193 0.00347 137 4PY -0.00059 0.00237 -0.00442 -0.00652 -0.00499 138 4PZ -0.00813 0.00095 -0.00404 0.00217 0.00403 139 5PX 0.00916 0.00131 -0.00996 -0.00263 -0.02068 140 5PY 0.01085 -0.01021 0.01060 0.04249 0.03371 141 5PZ 0.02939 -0.00921 -0.00731 -0.00210 -0.01486 142 6PX 0.00874 0.00111 -0.00461 -0.01299 -0.02412 143 6PY 0.00422 -0.02852 0.01693 0.03308 0.02119 144 6PZ 0.01733 -0.02399 -0.01978 0.00502 -0.00757 145 7D 0 0.12351 -0.02921 -0.07387 0.06588 -0.03938 146 7D+1 0.07807 0.06895 0.01356 -0.10714 -0.07604 147 7D-1 -0.04110 -0.08718 0.13851 0.20286 0.14096 148 7D+2 0.03038 0.06704 0.04840 0.08442 0.06468 149 7D-2 -0.01862 0.20247 0.06095 -0.23334 -0.19120 150 8D 0 0.04109 -0.01021 -0.02304 0.01811 -0.01237 151 8D+1 0.02658 0.02340 0.00305 -0.03549 -0.02492 152 8D-1 -0.01428 -0.02789 0.04450 0.06629 0.04581 153 8D+2 0.00754 0.01935 0.01647 0.02747 0.02108 154 8D-2 -0.00448 0.06766 0.01799 -0.07423 -0.06138 155 8 Cu 1S 0.00143 0.00059 -0.00123 0.00063 0.00003 156 2S -0.03566 -0.03245 0.06159 -0.01221 -0.01131 157 3S 0.02552 -0.00190 0.07477 0.00747 -0.00777 158 4PX 0.00267 0.00072 0.00166 0.00086 0.00153 159 4PY -0.00120 -0.00223 0.00540 -0.00115 -0.00325 160 4PZ -0.00355 -0.00211 0.00583 -0.00141 -0.00149 161 5PX -0.00253 -0.00350 -0.00735 0.00788 -0.01352 162 5PY 0.00938 0.00473 -0.02757 -0.00243 0.02277 163 5PZ -0.01882 0.00069 -0.02517 0.01255 0.00690 164 6PX 0.00037 -0.01008 -0.02156 0.01693 -0.01031 165 6PY 0.02771 -0.00301 -0.00955 0.01093 0.02465 166 6PZ -0.01558 -0.00633 -0.00527 -0.00219 -0.01531 167 7D 0 -0.09522 -0.16602 -0.04960 0.07711 0.23608 168 7D+1 0.18286 0.11852 -0.17812 0.14017 0.00971 169 7D-1 -0.08190 0.12583 -0.17960 0.16869 0.06019 170 7D+2 -0.13345 0.09393 0.26082 -0.08895 -0.24463 171 7D-2 0.10426 -0.01270 0.12000 0.11882 0.00427 172 8D 0 -0.03083 -0.05591 -0.01605 0.02474 0.07813 173 8D+1 0.06036 0.03982 -0.05951 0.04586 0.00269 174 8D-1 -0.02860 0.04169 -0.05929 0.05494 0.01890 175 8D+2 -0.04492 0.03069 0.08591 -0.02933 -0.08152 176 8D-2 0.03509 -0.00369 0.03981 0.03911 0.00206 177 9 C 1S -0.00165 -0.00773 -0.00539 -0.00566 0.00328 178 2S 0.00285 0.01639 0.01099 0.00956 -0.00614 179 3S 0.01248 0.04005 0.02835 0.04082 -0.01451 180 4PX 0.00688 0.02472 0.00762 -0.01336 -0.01202 181 4PY 0.00844 0.02818 0.01603 0.01093 -0.01235 182 4PZ -0.01459 0.00585 0.01233 0.01396 0.00194 183 5PX 0.00191 0.00159 0.00068 -0.00426 -0.00869 184 5PY -0.00067 0.00000 -0.00442 0.01445 -0.00228 185 5PZ -0.00196 -0.00018 -0.00096 0.00259 0.00138 186 10 O 1S 0.00020 0.00149 0.00137 0.00099 -0.00078 187 2S -0.00001 -0.00364 -0.00309 -0.00362 0.00209 188 3S -0.00315 -0.00908 -0.00990 -0.00129 0.00387 189 4PX -0.01155 -0.03991 -0.01318 0.01657 0.01809 190 4PY -0.00775 -0.02329 -0.01384 -0.00570 0.01190 191 4PZ 0.02258 -0.00812 -0.01619 -0.01804 -0.00308 192 5PX -0.00626 -0.02118 -0.00678 0.00890 0.01183 193 5PY -0.00460 -0.01022 -0.00575 -0.00272 0.00555 194 5PZ 0.01194 -0.00440 -0.00820 -0.00939 -0.00242 66 67 68 69 70 O O O O O EIGENVALUES -- -0.26513 -0.26357 -0.26311 -0.26220 -0.26061 1 1 Cu 1S 0.00143 0.00043 0.00041 0.00060 -0.00028 2 2S -0.00293 0.00556 0.00312 -0.00368 -0.02420 3 3S 0.05340 0.05730 0.05921 0.04718 -0.01792 4 4PX -0.00469 -0.00018 0.00276 0.00172 0.00368 5 4PY 0.00242 0.00171 -0.00299 -0.00246 -0.00128 6 4PZ -0.00015 -0.00068 0.00522 0.00231 -0.00359 7 5PX 0.02400 -0.00296 0.00126 -0.01083 -0.01010 8 5PY -0.02223 -0.01347 -0.00799 0.00039 0.00445 9 5PZ -0.00205 -0.00770 -0.01156 -0.01357 0.01392 10 6PX -0.00226 0.03476 -0.02917 0.00943 0.02633 11 6PY 0.00163 -0.05006 0.02414 -0.02341 -0.02263 12 6PZ 0.04457 -0.08505 0.02157 0.01041 -0.01090 13 7D 0 -0.00435 -0.03161 -0.08478 0.03801 0.18131 14 7D+1 0.07384 -0.08795 -0.08588 -0.01189 0.12289 15 7D-1 -0.00389 -0.02929 -0.02378 -0.09141 -0.02825 16 7D+2 0.02978 -0.17136 0.05006 -0.23493 -0.04304 17 7D-2 0.08379 0.14246 0.03660 0.08352 -0.09780 18 8D 0 -0.00309 -0.01013 -0.02749 0.01053 0.05594 19 8D+1 0.02301 -0.02744 -0.02554 -0.00300 0.03782 20 8D-1 -0.00053 -0.01042 -0.00707 -0.02808 -0.00821 21 8D+2 0.00925 -0.05285 0.01337 -0.07286 -0.01275 22 8D-2 0.02674 0.04380 0.01033 0.02557 -0.03039 23 2 Cu 1S -0.00044 -0.00017 0.00000 -0.00115 -0.00049 24 2S -0.00415 0.01229 -0.01569 0.00835 -0.00600 25 3S -0.02971 -0.04156 -0.01202 -0.06403 -0.02558 26 4PX 0.00469 -0.00394 -0.00193 0.00568 0.00063 27 4PY 0.00425 -0.00389 0.00738 0.00745 0.00653 28 4PZ 0.00232 -0.00298 0.01333 -0.00597 -0.00407 29 5PX -0.02134 0.02470 0.00345 -0.02223 0.00024 30 5PY -0.01082 -0.00365 -0.01821 -0.03852 -0.00626 31 5PZ -0.00385 0.00158 -0.05852 0.03107 0.01761 32 6PX 0.00359 -0.01274 -0.00311 0.01581 0.00733 33 6PY -0.00754 -0.00470 -0.00733 -0.00335 -0.00225 34 6PZ 0.01962 0.01376 0.01335 0.02387 0.01428 35 7D 0 0.02269 -0.03157 0.12229 0.09151 -0.00266 36 7D+1 -0.01331 0.02634 0.02864 -0.00121 -0.10674 37 7D-1 0.01095 -0.01177 0.07159 -0.03455 -0.05406 38 7D+2 0.05037 0.04380 0.06804 0.03819 0.03652 39 7D-2 -0.01439 -0.04899 0.03487 0.06449 0.06173 40 8D 0 0.00743 -0.00871 0.03712 0.02742 -0.00013 41 8D+1 -0.00356 0.00953 0.00825 -0.00044 -0.02959 42 8D-1 0.00337 -0.00466 0.02275 -0.01147 -0.01638 43 8D+2 0.01559 0.01328 0.02097 0.01269 0.01120 44 8D-2 -0.00471 -0.01603 0.01078 0.02058 0.01894 45 3 Cu 1S 0.00023 -0.00042 -0.00054 -0.00024 -0.00017 46 2S -0.02587 0.00055 -0.00131 -0.01675 -0.02439 47 3S -0.02383 -0.06880 -0.04785 -0.01300 -0.06446 48 4PX -0.00237 0.00021 -0.00247 -0.00115 -0.00331 49 4PY -0.00191 -0.00321 -0.00073 0.00299 0.00066 50 4PZ 0.00531 0.00056 0.00361 0.00246 0.00177 51 5PX 0.00560 0.00284 0.02242 0.01082 0.03123 52 5PY 0.00663 0.01632 0.00575 -0.02568 -0.00411 53 5PZ -0.02207 -0.01458 -0.02315 0.00063 -0.00336 54 6PX 0.01209 -0.00932 0.02344 -0.00033 0.00487 55 6PY 0.01079 -0.00187 -0.00071 -0.00506 -0.00348 56 6PZ -0.01212 -0.01187 -0.01030 -0.00519 -0.00006 57 7D 0 0.27492 0.03731 0.18674 0.12590 -0.04432 58 7D+1 -0.16655 -0.01463 -0.20263 0.12578 0.03725 59 7D-1 0.09713 -0.04549 -0.12042 0.13259 0.15415 60 7D+2 0.09156 -0.00672 0.15399 0.33427 0.33576 61 7D-2 0.42620 0.37394 -0.01816 -0.17925 0.20203 62 8D 0 0.09085 0.01120 0.06299 0.04166 -0.01570 63 8D+1 -0.05552 -0.00504 -0.06687 0.04077 0.01263 64 8D-1 0.03214 -0.01524 -0.03967 0.04383 0.05079 65 8D+2 0.03015 -0.00245 0.05056 0.10940 0.11008 66 8D-2 0.13893 0.12233 -0.00621 -0.05889 0.06599 67 4 Cu 1S -0.00019 -0.00012 -0.00092 0.00165 0.00169 68 2S -0.00257 -0.00625 0.01168 -0.00458 -0.00533 69 3S 0.00983 0.00190 -0.01287 0.04897 0.05776 70 4PX 0.00080 -0.00243 -0.00106 -0.00310 -0.00671 71 4PY 0.00820 0.00939 -0.00239 0.00133 -0.00415 72 4PZ -0.00474 -0.00056 -0.00128 0.00588 0.00792 73 5PX -0.00211 0.01314 0.01462 0.02080 0.05293 74 5PY -0.03165 -0.05308 -0.00013 -0.01117 0.01570 75 5PZ 0.01647 0.00224 -0.00591 -0.01713 -0.03423 76 6PX 0.03044 -0.00526 0.01501 0.01679 0.02506 77 6PY -0.03271 -0.03342 -0.00846 -0.01961 -0.01390 78 6PZ -0.00798 0.02203 -0.02289 0.00022 0.00080 79 7D 0 -0.04152 -0.08403 -0.01049 0.05679 0.08756 80 7D+1 -0.06586 -0.07760 -0.03315 0.09218 0.09754 81 7D-1 -0.07339 0.18975 -0.01062 0.14722 -0.14635 82 7D+2 -0.15414 -0.12177 -0.07604 -0.04321 -0.18392 83 7D-2 0.20127 0.35931 0.04593 -0.11787 -0.09877 84 8D 0 -0.01233 -0.02760 -0.00430 0.01845 0.02800 85 8D+1 -0.02165 -0.02486 -0.00877 0.03019 0.03192 86 8D-1 -0.02230 0.06244 -0.00398 0.04672 -0.04597 87 8D+2 -0.04850 -0.03893 -0.02417 -0.01379 -0.05905 88 8D-2 0.06307 0.11420 0.01419 -0.03742 -0.03268 89 5 Cu 1S -0.00017 0.00015 0.00084 -0.00180 -0.00043 90 2S -0.01346 0.02286 -0.04384 0.01637 0.02279 91 3S -0.04623 0.08195 -0.00189 -0.01768 -0.00169 92 4PX -0.00117 0.00452 -0.00430 0.00422 0.00053 93 4PY -0.00048 0.00003 0.00760 0.00218 -0.00214 94 4PZ -0.00497 0.00495 -0.00230 0.00438 0.00040 95 5PX 0.00133 -0.02894 0.01400 -0.01134 0.00596 96 5PY -0.00616 0.00663 -0.04142 -0.00810 0.00736 97 5PZ 0.02583 -0.02197 -0.00653 -0.01137 0.00357 98 6PX -0.00779 -0.01005 0.00786 -0.01385 -0.00612 99 6PY 0.00078 0.01341 -0.01116 0.00371 0.01176 100 6PZ 0.01659 -0.00910 -0.01866 0.00165 0.00892 101 7D 0 0.14188 -0.06524 -0.22579 -0.27471 0.01553 102 7D+1 0.24704 -0.32905 0.08865 -0.01189 -0.03162 103 7D-1 -0.13365 0.04403 -0.32164 -0.05395 0.11359 104 7D+2 -0.16285 0.07027 -0.02351 -0.12457 0.19471 105 7D-2 0.08444 0.11111 -0.12178 0.35819 -0.20092 106 8D 0 0.04612 -0.02114 -0.07492 -0.09049 0.00532 107 8D+1 0.08045 -0.10633 0.02951 -0.00395 -0.01047 108 8D-1 -0.04370 0.01495 -0.10573 -0.01715 0.03840 109 8D+2 -0.05303 0.02242 -0.00766 -0.03855 0.06349 110 8D-2 0.02678 0.03632 -0.03985 0.11469 -0.06489 111 6 Cu 1S 0.00029 0.00181 -0.00192 0.00046 0.00069 112 2S -0.02142 -0.02216 0.05080 -0.03375 -0.01030 113 3S -0.02452 0.07551 0.08938 -0.02152 0.00476 114 4PX -0.00009 0.00028 -0.00691 0.00216 -0.00113 115 4PY -0.00453 -0.00093 0.00716 -0.00176 -0.00414 116 4PZ -0.00123 0.00035 -0.00182 0.00431 0.00407 117 5PX 0.00749 0.01259 0.03408 -0.01050 0.00674 118 5PY 0.02063 -0.00939 -0.03338 -0.00419 0.01269 119 5PZ -0.00351 -0.00264 0.00910 -0.01742 -0.02427 120 6PX -0.01589 0.00633 0.01306 -0.01027 -0.00022 121 6PY -0.00449 -0.00151 -0.01840 0.00480 0.00425 122 6PZ -0.03340 -0.00503 -0.00453 -0.01649 -0.02382 123 7D 0 -0.22047 0.08345 0.10778 -0.02236 0.21732 124 7D+1 0.16472 -0.01171 -0.24943 0.06700 0.03011 125 7D-1 0.07837 -0.09120 -0.14615 0.08890 -0.21426 126 7D+2 -0.07954 0.02099 0.09161 0.11251 -0.02195 127 7D-2 -0.03290 0.00324 0.43922 -0.13261 -0.20466 128 8D 0 -0.07198 0.02620 0.03545 -0.00887 0.06981 129 8D+1 0.05234 -0.00519 -0.08126 0.02264 0.00943 130 8D-1 0.02589 -0.03031 -0.04725 0.02811 -0.06811 131 8D+2 -0.02476 0.00783 0.02980 0.03803 -0.00661 132 8D-2 -0.01120 0.00015 0.14365 -0.04327 -0.06633 133 7 Cu 1S -0.00041 -0.00086 -0.00007 -0.00011 0.00069 134 2S 0.00088 -0.00324 0.00758 -0.00191 -0.00426 135 3S 0.01031 -0.05479 -0.00082 -0.00252 0.02906 136 4PX -0.00157 0.00005 0.00764 -0.00705 -0.00358 137 4PY 0.00397 0.00183 -0.00456 0.00643 0.00358 138 4PZ 0.00869 -0.00334 -0.00208 -0.00783 -0.00438 139 5PX 0.00341 -0.01008 -0.01922 0.02502 0.01015 140 5PY -0.01195 -0.00533 0.00333 -0.01393 -0.01115 141 5PZ -0.03499 0.01404 0.01852 0.03185 0.00471 142 6PX 0.00145 -0.00296 -0.01059 -0.00473 -0.00596 143 6PY 0.00620 0.02109 0.00813 0.00132 0.00774 144 6PZ -0.01474 0.03184 0.00067 0.00214 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5PY 0.00227 -0.00378 0.00092 -0.00676 -0.00093 185 5PZ 0.00024 0.00004 -0.00358 -0.00358 0.00219 186 10 O 1S 0.00076 -0.00023 0.00172 0.00169 0.00123 187 2S -0.00190 0.00097 -0.00484 -0.00382 -0.00301 188 3S -0.00467 -0.00050 -0.00780 -0.01223 -0.00784 189 4PX 0.00427 -0.01141 0.00418 0.01341 0.00536 190 4PY -0.00757 0.00108 -0.02037 -0.01204 -0.00998 191 4PZ 0.00272 -0.00617 0.02310 -0.00663 -0.00842 192 5PX 0.00113 -0.00577 0.00191 0.00682 0.00371 193 5PY -0.00366 0.00016 -0.00754 -0.00420 -0.00397 194 5PZ 0.00082 -0.00328 0.01277 -0.00306 -0.00512 71 72 73 74 75 O O O O O EIGENVALUES -- -0.25952 -0.25859 -0.25749 -0.25666 -0.25440 1 1 Cu 1S -0.00072 -0.00009 -0.00129 0.00079 0.00121 2 2S -0.00247 -0.00052 0.00560 -0.00223 0.01719 3 3S -0.05635 0.00909 -0.09427 0.05546 0.07085 4 4PX -0.00270 0.00213 -0.00146 -0.00167 0.00086 5 4PY -0.00020 -0.00428 0.00274 0.00129 -0.00775 6 4PZ -0.00923 -0.01109 -0.00091 -0.00107 -0.00304 7 5PX 0.00512 -0.00564 0.01140 0.00467 -0.00998 8 5PY 0.01459 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-0.00970 0.00099 -0.00342 -0.00560 29 5PX -0.00937 0.00248 0.02566 -0.01019 0.00798 30 5PY 0.01607 0.01037 0.01408 -0.02987 0.00543 31 5PZ 0.01078 0.03601 -0.00431 0.01058 0.02401 32 6PX 0.01351 0.02135 -0.01367 -0.00661 -0.00457 33 6PY 0.00540 0.00064 0.00364 -0.00460 0.00212 34 6PZ -0.03125 -0.00982 0.01895 -0.00961 0.00914 35 7D 0 -0.02640 -0.06441 -0.14207 0.07767 -0.05044 36 7D+1 0.08684 -0.02203 -0.02097 -0.06783 -0.07499 37 7D-1 -0.01407 -0.02283 0.03443 -0.08909 -0.00954 38 7D+2 -0.05796 -0.02446 0.00352 0.04807 0.00760 39 7D-2 0.00703 -0.02169 -0.04710 0.04961 0.00171 40 8D 0 -0.00800 -0.02095 -0.04153 0.02331 -0.01476 41 8D+1 0.02776 -0.00565 -0.00711 -0.01836 -0.02110 42 8D-1 -0.00529 -0.00828 0.01003 -0.02714 -0.00325 43 8D+2 -0.01908 -0.00765 -0.00011 0.01551 0.00280 44 8D-2 0.00244 -0.00692 -0.01670 0.01534 0.00020 45 3 Cu 1S 0.00083 0.00091 -0.00011 -0.00056 0.00033 46 2S -0.01795 -0.04595 0.02680 -0.02095 -0.02715 47 3S 0.03197 -0.02303 0.02531 -0.05851 -0.04353 48 4PX 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-0.00008 68 2S -0.04260 -0.02628 0.01087 -0.00835 -0.00982 69 3S -0.00524 0.00479 -0.07625 -0.02172 0.01073 70 4PX -0.00378 -0.00071 -0.00193 -0.00407 0.00200 71 4PY 0.00469 -0.00057 -0.00248 -0.00022 -0.00171 72 4PZ 0.00127 0.00574 -0.00241 0.00249 -0.00405 73 5PX 0.02278 0.02669 -0.00184 0.02344 0.00050 74 5PY -0.01401 -0.00074 -0.00057 -0.00095 -0.00633 75 5PZ 0.00012 -0.03113 -0.00072 -0.01743 0.01498 76 6PX 0.00569 0.02354 0.00752 0.00700 0.00175 77 6PY -0.00628 0.00497 -0.00487 0.00696 -0.00904 78 6PZ 0.00451 -0.02509 -0.00403 0.00188 0.01464 79 7D 0 0.05188 0.28124 -0.04038 0.10624 -0.12108 80 7D+1 -0.26592 -0.04753 -0.18786 -0.07352 -0.03324 81 7D-1 0.08940 0.06067 -0.04141 -0.10337 0.00585 82 7D+2 -0.11348 -0.06716 -0.01261 -0.20827 -0.08476 83 7D-2 0.02231 -0.13948 -0.07082 -0.05138 -0.17601 84 8D 0 0.01717 0.08996 -0.01382 0.03528 -0.03986 85 8D+1 -0.08542 -0.01552 -0.06174 -0.02484 -0.01144 86 8D-1 0.02932 0.01848 -0.01318 -0.03341 0.00227 87 8D+2 -0.03631 -0.02219 -0.00439 -0.06602 -0.02690 88 8D-2 0.00728 -0.04400 -0.02404 -0.01728 -0.05690 89 5 Cu 1S -0.00191 -0.00098 0.00045 0.00048 -0.00035 90 2S 0.03332 0.03581 0.00983 -0.00987 0.01216 91 3S -0.01363 0.03451 0.01019 0.05061 -0.03622 92 4PX 0.00203 0.00599 0.00335 -0.00292 0.00404 93 4PY -0.00120 -0.00902 -0.00579 0.00133 0.00286 94 4PZ 0.00615 0.00132 -0.00111 0.00319 0.00004 95 5PX -0.00108 -0.02723 -0.01802 0.00479 -0.01611 96 5PY -0.00957 0.04453 0.01702 0.00709 -0.02413 97 5PZ -0.02323 0.00277 0.00251 -0.02279 0.00782 98 6PX 0.00150 -0.01675 -0.00035 -0.00281 -0.00268 99 6PY -0.02187 0.01646 0.01723 -0.00739 0.00234 100 6PZ -0.00921 0.00560 0.01511 -0.00226 0.01220 101 7D 0 -0.17413 0.15572 0.09755 0.01461 0.14063 102 7D+1 -0.18965 -0.21602 0.04332 -0.11916 -0.09150 103 7D-1 -0.03882 0.22407 0.23459 -0.02066 0.10382 104 7D+2 0.01333 0.03464 -0.23148 0.11001 -0.13173 105 7D-2 -0.01851 0.24239 0.16491 -0.03713 -0.25957 106 8D 0 -0.05568 0.05111 0.03280 0.00561 0.04514 107 8D+1 -0.06201 -0.07037 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7D-2 -0.16091 0.22032 0.16528 0.22257 -0.02902 128 8D 0 -0.03905 0.00805 0.03869 -0.08109 -0.04793 129 8D+1 0.09793 -0.05245 -0.00312 0.03768 0.02888 130 8D-1 -0.03505 -0.00806 -0.04284 0.02704 -0.00652 131 8D+2 -0.00621 0.04026 0.01383 -0.00729 0.14375 132 8D-2 -0.05165 0.07122 0.05315 0.07118 -0.00982 133 7 Cu 1S 0.00019 -0.00180 0.00085 0.00063 -0.00205 134 2S 0.02213 0.02093 0.00906 0.00888 -0.02561 135 3S 0.01821 -0.03911 0.01908 0.04471 -0.11901 136 4PX 0.00464 -0.00152 0.00520 0.00454 -0.00302 137 4PY -0.00770 0.00099 0.00182 0.00321 0.00045 138 4PZ -0.00454 0.00386 0.00065 0.00542 -0.00085 139 5PX -0.02934 -0.01132 -0.01912 -0.01768 0.00580 140 5PY 0.04084 -0.01843 -0.00406 -0.00285 -0.01314 141 5PZ 0.00914 -0.02707 -0.00469 -0.02304 0.00997 142 6PX -0.00803 -0.01174 -0.00227 -0.00664 -0.00714 143 6PY 0.00960 -0.02661 0.00396 0.00287 0.00233 144 6PZ 0.00363 -0.02901 0.00108 -0.00517 0.02186 145 7D 0 -0.13000 -0.14738 -0.02599 -0.22335 0.14437 146 7D+1 -0.24630 0.15127 0.00259 -0.06667 0.23857 147 7D-1 0.06942 0.23735 -0.20930 -0.00558 -0.20155 148 7D+2 0.37004 -0.09455 0.10870 0.07331 -0.04008 149 7D-2 -0.13778 0.16217 0.29003 0.20159 -0.24073 150 8D 0 -0.04069 -0.04784 -0.00919 -0.07219 0.04695 151 8D+1 -0.07947 0.04894 0.00123 -0.02128 0.07710 152 8D-1 0.02307 0.07447 -0.06606 -0.00152 -0.06353 153 8D+2 0.11845 -0.02941 0.03397 0.02356 -0.01348 154 8D-2 -0.04450 0.04933 0.09311 0.06531 -0.07695 155 8 Cu 1S -0.00044 -0.00204 0.00068 0.00055 0.00029 156 2S 0.03762 0.02945 0.02421 -0.01488 0.01358 157 3S 0.04546 -0.09846 0.06789 -0.00801 0.06291 158 4PX -0.00119 0.00160 -0.00718 -0.00267 -0.00392 159 4PY 0.00773 0.00413 0.00083 -0.00856 0.00282 160 4PZ 0.00412 -0.00210 0.00026 0.00293 -0.00025 161 5PX 0.00043 -0.01749 0.02984 0.01226 0.01288 162 5PY -0.02431 -0.00268 0.00098 0.03630 -0.02023 163 5PZ -0.01607 0.02247 -0.00747 -0.01677 -0.00357 164 6PX -0.01390 -0.02639 0.00425 0.01310 -0.00031 165 6PY -0.01787 -0.00435 0.01310 0.01806 0.00805 166 6PZ -0.01042 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0.00261 186 10 O 1S -0.00056 -0.00046 -0.00162 0.00169 -0.00021 187 2S 0.00103 0.00048 0.00394 -0.00403 0.00000 188 3S 0.00488 0.00584 0.01046 -0.01136 0.00361 189 4PX 0.00771 0.00011 -0.01423 0.00398 -0.00401 190 4PY 0.00852 0.00574 0.01204 -0.01378 0.00152 191 4PZ -0.01327 -0.01718 0.00131 -0.00618 -0.00805 192 5PX 0.00499 0.00102 -0.00746 0.00101 -0.00104 193 5PY 0.00417 0.00338 0.00440 -0.00527 0.00122 194 5PZ -0.00866 -0.00975 0.00054 -0.00244 -0.00497 76 77 78 79 80 O O O O O EIGENVALUES -- -0.25340 -0.25156 -0.25068 -0.24940 -0.24696 1 1 Cu 1S -0.00160 -0.00001 -0.00011 -0.00073 -0.00094 2 2S -0.01019 0.00239 -0.00177 -0.01264 -0.01699 3 3S -0.12032 -0.01089 -0.01256 -0.07105 -0.07957 4 4PX 0.00846 0.00160 0.00249 0.00244 0.00143 5 4PY -0.00352 -0.00145 -0.00141 0.00149 0.00542 6 4PZ 0.00332 0.01098 -0.00008 0.00099 0.00466 7 5PX -0.02675 -0.00450 -0.00623 -0.01054 -0.00537 8 5PY 0.02405 0.01233 0.00348 -0.00605 -0.01951 9 5PZ -0.00609 -0.03818 0.00202 -0.00405 -0.01235 10 6PX 0.00091 0.01177 0.00409 0.01297 0.00671 11 6PY 0.01901 -0.00019 -0.00611 -0.00749 0.00281 12 6PZ 0.04819 -0.00507 0.00269 -0.01732 -0.01314 13 7D 0 0.22729 0.19600 0.05147 0.17140 0.15073 14 7D+1 -0.09910 0.19299 -0.03255 -0.13423 -0.21382 15 7D-1 -0.21273 -0.04712 -0.05959 0.17673 0.20492 16 7D+2 -0.02527 -0.11419 -0.01174 -0.03561 -0.04064 17 7D-2 -0.13895 0.12771 -0.01829 0.02452 -0.01317 18 8D 0 0.07301 0.06142 0.01677 0.05587 0.04947 19 8D+1 -0.03197 0.06095 -0.01049 -0.04361 -0.06898 20 8D-1 -0.06635 -0.01585 -0.01851 0.05764 0.06619 21 8D+2 -0.00780 -0.03559 -0.00369 -0.01099 -0.01303 22 8D-2 -0.04447 0.04001 -0.00564 0.00666 -0.00566 23 2 Cu 1S 0.00090 -0.00009 0.00029 0.00032 0.00020 24 2S -0.00305 0.00441 -0.00087 -0.00043 -0.00020 25 3S 0.03718 0.00160 0.00593 0.00900 -0.00845 26 4PX 0.00258 0.00350 -0.00018 0.00166 -0.00150 27 4PY -0.00187 -0.00437 0.00002 -0.00182 -0.00442 28 4PZ -0.00080 0.00661 -0.00402 0.00339 0.01101 29 5PX -0.00265 -0.00623 0.00080 -0.00190 0.01121 30 5PY 0.01431 0.00869 -0.00043 0.00597 0.00326 31 5PZ 0.00710 -0.02354 0.00857 -0.01717 -0.03755 32 6PX 0.01684 0.01607 -0.00396 0.00984 0.00423 33 6PY 0.00492 0.01041 0.00256 0.00252 0.00147 34 6PZ 0.00475 0.00744 -0.00935 0.00433 0.00956 35 7D 0 -0.04585 0.00864 -0.01796 -0.00658 -0.01835 36 7D+1 -0.01964 0.03489 -0.00781 0.08497 -0.03858 37 7D-1 0.02943 0.05516 0.03068 0.03280 0.03358 38 7D+2 -0.05208 -0.04020 -0.01157 -0.02186 -0.00200 39 7D-2 -0.00858 -0.00697 0.00606 -0.02758 -0.00132 40 8D 0 -0.01427 0.00260 -0.00423 -0.00251 -0.00498 41 8D+1 -0.00536 0.00981 -0.00220 0.02347 -0.01148 42 8D-1 0.00909 0.01786 0.00965 0.01024 0.01107 43 8D+2 -0.01606 -0.01175 -0.00403 -0.00631 -0.00082 44 8D-2 -0.00263 -0.00157 0.00206 -0.00815 -0.00070 45 3 Cu 1S 0.00024 -0.00055 0.00038 -0.00076 -0.00174 46 2S 0.00041 0.03748 -0.00919 0.02859 0.04256 47 3S 0.05248 0.01473 -0.00360 0.01055 0.00060 48 4PX -0.00015 0.01099 -0.00103 0.00364 0.00083 49 4PY -0.00624 -0.00011 -0.00433 -0.00563 -0.00062 50 4PZ -0.00292 0.00326 0.00021 -0.00459 -0.01013 51 5PX 0.00195 -0.03964 0.00365 -0.00457 0.01327 52 5PY 0.03018 -0.00225 0.01429 0.02284 0.00698 53 5PZ 0.02067 -0.02375 0.00171 0.00917 0.02375 54 6PX -0.00569 -0.01756 -0.00057 -0.00805 0.00502 55 6PY 0.01712 0.00389 0.00539 0.00776 -0.00089 56 6PZ 0.00108 -0.00257 -0.00140 0.00546 0.01110 57 7D 0 -0.03245 0.24774 -0.02205 -0.12525 -0.21270 58 7D+1 0.13298 0.10942 0.00081 0.07838 0.13275 59 7D-1 -0.18757 -0.02125 -0.04318 -0.16906 -0.11365 60 7D+2 0.13606 -0.18228 0.01708 -0.02144 0.11417 61 7D-2 0.13479 0.00767 0.13343 0.11365 -0.01148 62 8D 0 -0.01133 0.08136 -0.00733 -0.04245 -0.07094 63 8D+1 0.04330 0.03573 0.00031 0.02652 0.04328 64 8D-1 -0.06201 -0.00732 -0.01499 -0.05722 -0.03869 65 8D+2 0.04393 -0.05957 0.00541 -0.00612 0.03760 66 8D-2 0.04335 0.00309 0.04333 0.03771 -0.00250 67 4 Cu 1S 0.00097 -0.00263 0.00103 0.00033 0.00013 68 2S 0.01866 0.00126 0.01347 -0.00033 0.01816 69 3S 0.05112 -0.10861 0.04448 -0.01406 0.00605 70 4PX 0.00274 -0.00849 0.00520 -0.00630 -0.00701 71 4PY 0.00319 -0.00070 -0.00930 -0.00326 0.00762 72 4PZ -0.00116 -0.00171 0.00144 0.00833 0.00399 73 5PX -0.00845 0.01459 -0.01622 0.01908 0.02906 74 5PY -0.01762 0.00024 0.04238 0.01878 -0.02892 75 5PZ 0.00860 0.00088 -0.00328 -0.03319 -0.01870 76 6PX -0.00548 -0.00108 -0.01090 0.00192 0.01035 77 6PY -0.00957 -0.00802 0.01607 -0.00460 0.00289 78 6PZ 0.00480 -0.02048 0.00314 -0.00104 -0.01748 79 7D 0 -0.14081 0.00347 0.12770 0.16796 -0.03493 80 7D+1 0.21449 -0.25791 0.12576 -0.02664 0.15165 81 7D-1 0.08081 -0.05797 -0.26675 -0.12510 0.11263 82 7D+2 -0.05153 0.09803 0.07029 -0.03225 -0.16995 83 7D-2 0.08657 -0.14696 0.09741 0.12011 -0.08865 84 8D 0 -0.04552 0.00192 0.04203 0.05434 -0.00990 85 8D+1 0.06968 -0.08256 0.04070 -0.00875 0.04817 86 8D-1 0.02692 -0.01949 -0.08649 -0.03958 0.03580 87 8D+2 -0.01487 0.03115 0.02362 -0.01022 -0.05399 88 8D-2 0.02738 -0.04654 0.03102 0.03801 -0.02735 89 5 Cu 1S -0.00075 0.00001 -0.00028 0.00050 0.00108 90 2S -0.00328 -0.02233 -0.00693 -0.00382 -0.00453 91 3S -0.04552 -0.00839 -0.00886 0.01474 0.04517 92 4PX -0.00419 -0.00819 0.00244 -0.00020 0.00618 93 4PY -0.00554 -0.00279 0.00762 -0.00151 -0.00139 94 4PZ 0.00319 0.00219 0.00740 -0.00477 -0.00662 95 5PX 0.03169 0.03620 -0.01223 0.00011 -0.02686 96 5PY 0.02360 0.01583 -0.04360 0.01533 0.00048 97 5PZ -0.00930 -0.01253 -0.02985 0.01788 0.01744 98 6PX 0.00297 -0.00431 -0.00901 -0.00575 -0.01949 99 6PY 0.01609 0.00835 -0.02392 0.01725 0.00467 100 6PZ -0.00293 -0.00255 -0.01486 0.01001 -0.00423 101 7D 0 -0.14607 -0.20565 -0.15961 0.10103 0.12584 102 7D+1 0.09102 0.04683 -0.20702 0.01299 -0.09482 103 7D-1 0.33307 0.08431 0.02963 -0.13193 -0.12137 104 7D+2 0.16547 0.21230 -0.23131 0.21860 -0.11963 105 7D-2 0.01043 -0.04721 -0.15374 0.08219 0.04202 106 8D 0 -0.04914 -0.06855 -0.05220 0.03236 0.04071 107 8D+1 0.02988 0.01597 -0.06801 0.00503 -0.03171 108 8D-1 0.10935 0.02823 0.00964 -0.04202 -0.03830 109 8D+2 0.05500 0.06832 -0.07567 0.07121 -0.04014 110 8D-2 0.00372 -0.01525 -0.05038 0.02634 0.01326 111 6 Cu 1S -0.00029 0.00156 -0.00021 0.00040 0.00138 112 2S 0.01059 0.01108 0.00436 0.00408 0.00865 113 3S 0.00766 0.10585 -0.01671 0.01319 0.08028 114 4PX -0.00242 0.00209 -0.00178 0.00469 0.00004 115 4PY 0.00108 -0.00153 -0.00032 0.00271 -0.00615 116 4PZ -0.00107 -0.00452 -0.00936 -0.00891 -0.00412 117 5PX 0.00972 0.00454 0.00674 -0.02419 0.01059 118 5PY -0.00611 0.00510 0.01127 -0.02346 0.02502 119 5PZ 0.00055 0.02866 0.04987 0.03133 0.02075 120 6PX 0.00434 0.00443 0.00545 -0.00943 0.01153 121 6PY -0.00095 -0.00650 0.02480 -0.01497 0.00126 122 6PZ -0.00672 0.00775 0.03003 0.00041 0.01965 123 7D 0 -0.22260 -0.24031 -0.01115 0.02328 -0.28840 124 7D+1 0.11548 -0.23034 -0.20708 -0.02148 -0.18051 125 7D-1 0.11858 -0.08185 0.35756 0.27510 -0.23716 126 7D+2 -0.05661 0.11224 -0.15980 0.32332 -0.05563 127 7D-2 0.22507 -0.14355 -0.08097 -0.04795 -0.06449 128 8D 0 -0.07067 -0.07957 -0.00439 0.00812 -0.09361 129 8D+1 0.03637 -0.07535 -0.06914 -0.00661 -0.05891 130 8D-1 0.03847 -0.02652 0.11576 0.08981 -0.07749 131 8D+2 -0.01738 0.03703 -0.05234 0.10538 -0.01884 132 8D-2 0.07148 -0.04756 -0.02674 -0.01546 -0.02146 133 7 Cu 1S 0.00050 0.00123 -0.00073 0.00038 0.00056 134 2S 0.02234 0.01047 -0.00231 -0.00562 -0.01108 135 3S 0.01682 0.07785 -0.03513 0.01312 0.00651 136 4PX -0.00349 0.00086 0.00511 -0.00523 0.00522 137 4PY 0.00112 0.00050 0.00005 0.00566 -0.00573 138 4PZ -0.00878 0.00229 0.01107 -0.00173 0.00135 139 5PX 0.02121 0.01038 -0.02359 0.02910 -0.01705 140 5PY -0.00627 -0.00360 -0.00232 -0.03083 0.02672 141 5PZ 0.04569 -0.00615 -0.04267 0.00246 -0.01212 142 6PX 0.00870 0.01012 -0.01499 0.01104 -0.00866 143 6PY -0.00783 -0.01120 0.00486 -0.00730 0.00046 144 6PZ 0.00854 -0.02115 -0.00906 0.00234 -0.02003 145 7D 0 0.13173 -0.11520 -0.24743 -0.26345 0.12249 146 7D+1 -0.20993 -0.16562 0.17129 -0.06887 0.15126 147 7D-1 -0.06387 0.12303 0.00124 -0.14741 0.04901 148 7D+2 -0.12886 -0.10186 0.12943 -0.20924 0.19656 149 7D-2 0.11004 0.07334 -0.04663 -0.17642 0.07186 150 8D 0 0.04335 -0.03738 -0.07967 -0.08444 0.03825 151 8D+1 -0.06746 -0.05331 0.05583 -0.02180 0.04856 152 8D-1 -0.02074 0.03844 0.00109 -0.04631 0.01594 153 8D+2 -0.04108 -0.03207 0.04174 -0.06747 0.06312 154 8D-2 0.03496 0.02364 -0.01467 -0.05572 0.02281 155 8 Cu 1S -0.00033 0.00006 0.00052 -0.00067 -0.00121 156 2S 0.02372 -0.04145 0.01065 0.01875 -0.01106 157 3S 0.00716 -0.07602 0.02427 0.02649 -0.04676 158 4PX 0.00065 -0.00617 -0.00483 0.00178 -0.01128 159 4PY 0.00140 0.00171 0.00195 -0.00374 0.00543 160 4PZ 0.00210 -0.00768 -0.00551 0.01194 0.00162 161 5PX 0.00121 0.03647 0.02900 -0.00751 0.05342 162 5PY -0.00092 -0.01478 -0.02282 0.02507 -0.01469 163 5PZ 0.00097 0.03192 0.02850 -0.04575 0.00189 164 6PX -0.00948 0.00318 0.02600 -0.00200 0.01861 165 6PY -0.01053 0.00247 -0.02316 0.01371 -0.00408 166 6PZ -0.01297 0.01939 0.00978 -0.01996 0.00533 167 7D 0 -0.11949 0.19633 0.21018 -0.28996 -0.10475 168 7D+1 -0.09568 0.27678 0.07726 0.07508 0.36703 169 7D-1 0.08724 -0.01779 0.10919 -0.16470 -0.17597 170 7D+2 0.21904 0.12147 0.14735 -0.16394 0.13101 171 7D-2 0.12785 -0.11599 0.32123 0.02464 0.03557 172 8D 0 -0.03883 0.06426 0.06897 -0.09507 -0.03505 173 8D+1 -0.02968 0.09034 0.02669 0.02548 0.12150 174 8D-1 0.02607 -0.00556 0.03509 -0.05439 -0.05912 175 8D+2 0.06968 0.03928 0.04804 -0.05301 0.04256 176 8D-2 0.04102 -0.03621 0.10305 0.00808 0.01219 177 9 C 1S 0.00422 0.00386 0.00153 0.00228 0.00244 178 2S -0.00869 -0.00822 -0.00327 -0.00466 -0.00458 179 3S -0.02191 -0.01921 -0.00879 -0.01344 -0.01696 180 4PX -0.00237 -0.00280 -0.00101 -0.00072 0.00345 181 4PY -0.01266 -0.01034 -0.00480 -0.00628 -0.00407 182 4PZ -0.00053 -0.01029 0.00066 -0.00283 -0.01339 183 5PX -0.00527 -0.00282 -0.00174 -0.00137 0.00071 184 5PY 0.00080 -0.00224 0.00085 -0.00007 -0.00303 185 5PZ 0.00171 -0.00373 0.00029 -0.00070 -0.00421 186 10 O 1S -0.00110 -0.00082 -0.00040 -0.00057 -0.00052 187 2S 0.00259 0.00240 0.00084 0.00142 0.00155 188 3S 0.00731 0.00353 0.00308 0.00352 0.00214 189 4PX 0.00465 0.00495 0.00133 0.00182 -0.00388 190 4PY 0.01088 0.00726 0.00416 0.00488 0.00170 191 4PZ -0.00075 0.01310 -0.00303 0.00402 0.01769 192 5PX 0.00384 0.00360 0.00124 0.00130 -0.00212 193 5PY 0.00486 0.00254 0.00185 0.00203 0.00057 194 5PZ -0.00132 0.00762 -0.00165 0.00243 0.01008 81 82 83 84 85 O O O V V EIGENVALUES -- -0.22022 -0.19551 -0.17704 -0.10042 -0.08849 1 1 Cu 1S -0.00047 0.00042 -0.00375 0.00315 -0.00503 2 2S 0.03867 -0.06224 -0.17188 0.12917 -0.18431 3 3S -0.09076 0.11353 -0.02639 -0.11096 0.17362 4 4PX -0.01239 0.03809 0.01960 -0.00141 -0.00258 5 4PY 0.01899 -0.03529 0.03219 0.00044 0.02153 6 4PZ 0.05363 0.01363 -0.00028 0.01317 0.00153 7 5PX 0.03973 -0.09687 -0.05407 0.01661 -0.01415 8 5PY -0.03619 0.06378 -0.07096 0.00107 -0.10528 9 5PZ -0.12939 -0.02290 0.00638 -0.05739 -0.03520 10 6PX 0.04898 -0.02584 -0.04246 -0.03105 -0.03596 11 6PY -0.01488 -0.02794 -0.01596 0.05610 -0.06444 12 6PZ -0.12239 0.02295 0.03995 0.18320 -0.15627 13 7D 0 -0.00862 0.06133 0.09292 0.06464 0.00888 14 7D+1 -0.03581 -0.02092 -0.05480 -0.03166 0.03775 15 7D-1 -0.13427 -0.07525 0.08200 0.06630 0.00905 16 7D+2 0.02961 -0.14832 0.01108 -0.01487 -0.01882 17 7D-2 -0.03273 0.01223 -0.11692 0.04712 0.02052 18 8D 0 -0.00169 0.01915 0.03140 0.02207 -0.00059 19 8D+1 -0.01386 -0.00679 -0.01840 -0.01112 0.01327 20 8D-1 -0.04464 -0.02583 0.02641 0.02365 0.00140 21 8D+2 0.01002 -0.05011 0.00555 -0.00596 -0.00769 22 8D-2 -0.00996 0.00314 -0.03868 0.01332 0.00723 23 2 Cu 1S -0.00079 -0.00023 0.00083 0.00085 -0.00130 24 2S 0.06464 -0.13424 0.10920 0.02180 -0.04316 25 3S -0.01897 -0.01789 0.03885 -0.01041 0.00803 26 4PX 0.00073 0.01020 0.04501 -0.03796 -0.04436 27 4PY -0.03000 0.03121 -0.00278 -0.00289 -0.01507 28 4PZ 0.03274 0.02684 -0.02781 -0.05294 0.01136 29 5PX -0.00033 -0.02746 -0.14637 0.14403 0.18376 30 5PY 0.06707 -0.09156 0.01254 -0.00542 0.03751 31 5PZ -0.09872 -0.08172 0.09433 0.20474 -0.06294 32 6PX -0.01791 0.01346 0.03922 -0.00747 -0.04309 33 6PY 0.01393 -0.03193 0.03211 0.02868 -0.03116 34 6PZ 0.07205 0.02667 -0.05361 -0.21763 0.08548 35 7D 0 -0.04101 0.08139 -0.00709 0.06791 -0.05345 36 7D+1 -0.00592 -0.00221 -0.01870 -0.02336 0.06504 37 7D-1 0.12695 -0.01618 0.01165 0.08831 -0.01879 38 7D+2 -0.05054 0.04105 -0.06047 0.01161 -0.12610 39 7D-2 -0.06447 0.08014 0.00171 0.07115 0.09427 40 8D 0 -0.01178 0.02685 -0.00447 0.01572 -0.01243 41 8D+1 -0.00529 0.00010 -0.00333 -0.00519 0.01318 42 8D-1 0.04378 -0.00377 0.00273 0.01866 -0.00527 43 8D+2 -0.01563 0.01456 -0.02354 0.00547 -0.02794 44 8D-2 -0.02175 0.02923 0.00219 0.01361 0.01779 45 3 Cu 1S -0.00117 -0.00008 -0.00355 -0.00194 0.00297 46 2S 0.28790 -0.09224 -0.19296 -0.07040 0.10302 47 3S 0.04806 -0.03678 -0.09501 -0.00851 -0.02001 48 4PX 0.01682 0.00905 0.00982 -0.00888 -0.02083 49 4PY 0.00173 -0.00536 0.00708 -0.02533 0.02517 50 4PZ -0.01053 0.01481 0.00266 -0.02339 0.01436 51 5PX -0.02294 -0.03512 -0.04326 0.01885 0.08840 52 5PY -0.00170 0.01480 -0.02896 0.07423 -0.09770 53 5PZ -0.00935 -0.03072 0.00554 0.09251 -0.10772 54 6PX -0.00046 0.00600 -0.02125 0.01229 0.09561 55 6PY -0.03955 0.00971 0.03241 0.09437 -0.09809 56 6PZ -0.00525 -0.00179 0.01916 0.05665 -0.02587 57 7D 0 0.00852 0.11282 0.00575 -0.04908 0.00122 58 7D+1 0.02844 0.01870 0.04091 0.00843 -0.01829 59 7D-1 -0.02383 -0.02595 0.03107 -0.02394 0.04413 60 7D+2 -0.02989 -0.02713 -0.05454 0.00555 0.01801 61 7D-2 -0.01772 0.03427 -0.03439 0.05792 0.00701 62 8D 0 0.00551 0.03586 0.00006 -0.01706 -0.00014 63 8D+1 0.00488 0.00634 0.01644 0.00384 -0.00723 64 8D-1 -0.00677 -0.00850 0.00898 -0.01086 0.01414 65 8D+2 -0.00807 -0.00962 -0.01816 0.00150 0.00676 66 8D-2 -0.00582 0.01040 -0.01172 0.01814 0.00129 67 4 Cu 1S -0.00226 0.00118 0.00045 -0.00097 0.00023 68 2S 0.18950 0.15549 0.14018 -0.03708 -0.04065 69 3S -0.07396 0.04193 0.02629 0.01218 -0.00278 70 4PX -0.02748 0.02554 0.02199 0.01249 0.01691 71 4PY 0.00451 -0.02018 0.02280 -0.04183 -0.00153 72 4PZ 0.01564 -0.00838 -0.02444 -0.01621 0.00363 73 5PX 0.05261 -0.07129 -0.07438 -0.02668 -0.05763 74 5PY -0.01364 0.04945 -0.06732 0.12055 0.00369 75 5PZ -0.06732 0.01496 0.05168 0.05884 -0.00851 76 6PX 0.00911 -0.00004 -0.02320 -0.04437 0.02598 77 6PY -0.02503 -0.01065 -0.00197 0.15600 0.00824 78 6PZ -0.03509 -0.03054 -0.01349 0.02367 -0.04295 79 7D 0 0.16632 -0.00369 -0.07660 0.00440 -0.01362 80 7D+1 0.03324 0.09010 -0.00129 -0.02203 0.05635 81 7D-1 0.05400 -0.08668 0.09179 -0.03470 -0.01434 82 7D+2 -0.14354 0.09101 0.04603 0.00587 -0.03922 83 7D-2 -0.00018 0.01249 0.04316 -0.03051 0.02941 84 8D 0 0.05919 0.00008 -0.02449 0.00048 -0.00457 85 8D+1 0.01074 0.03265 0.00142 -0.00745 0.01484 86 8D-1 0.01854 -0.02875 0.03113 -0.01104 -0.00475 87 8D+2 -0.04568 0.03074 0.01561 -0.00043 -0.01212 88 8D-2 0.00028 0.00269 0.01434 -0.01061 0.00855 89 5 Cu 1S 0.00124 -0.00050 -0.00141 -0.00105 0.00294 90 2S -0.16059 -0.27878 0.03985 0.00948 0.06351 91 3S -0.00606 -0.06918 0.00547 -0.03254 0.05392 92 4PX -0.01148 0.00588 0.01837 -0.02131 0.00805 93 4PY 0.01205 -0.00772 0.03228 0.02672 0.01094 94 4PZ 0.00803 -0.01467 0.00984 0.02980 -0.01682 95 5PX 0.02373 -0.03327 -0.04883 0.07907 -0.03730 96 5PY -0.02886 0.02825 -0.09290 -0.07758 -0.04773 97 5PZ -0.04503 0.01275 -0.01320 -0.08819 0.06890 98 6PX -0.01297 -0.03471 -0.00413 0.05373 0.05014 99 6PY 0.02641 0.03284 -0.02579 -0.18539 0.03192 100 6PZ -0.00269 -0.00725 -0.00589 -0.08183 0.04076 101 7D 0 -0.16050 0.07139 -0.01997 -0.04842 0.01038 102 7D+1 -0.00390 -0.05119 -0.08725 0.00845 0.02684 103 7D-1 0.02954 0.04205 -0.06985 0.00146 -0.01586 104 7D+2 -0.06360 -0.00827 -0.08412 0.00906 -0.05499 105 7D-2 -0.06711 0.06078 -0.05388 -0.00248 0.02325 106 8D 0 -0.05472 0.02087 -0.00638 -0.01377 0.00362 107 8D+1 -0.00338 -0.02039 -0.02807 0.00337 0.00940 108 8D-1 0.00945 0.01685 -0.02478 -0.00138 -0.00508 109 8D+2 -0.02055 -0.00396 -0.02756 0.00366 -0.01619 110 8D-2 -0.02070 0.02066 -0.01774 -0.00035 0.00649 111 6 Cu 1S 0.00171 -0.00032 -0.00107 0.00366 0.00247 112 2S -0.07495 0.30756 -0.05266 0.16252 0.07312 113 3S 0.01958 0.02620 0.01265 0.04339 0.00275 114 4PX 0.00495 0.00082 0.01978 -0.00067 0.03526 115 4PY 0.00548 0.00750 0.02886 -0.00116 0.01350 116 4PZ 0.02714 0.00510 0.01471 0.02711 -0.01276 117 5PX -0.00028 -0.03436 -0.05398 -0.01929 -0.13432 118 5PY -0.02858 0.00646 -0.08717 0.02800 -0.03431 119 5PZ -0.08091 -0.01980 -0.04246 -0.10390 0.04651 120 6PX -0.00472 -0.01867 0.00421 -0.00643 -0.04260 121 6PY -0.01798 0.03128 -0.00223 0.05850 0.00272 122 6PZ -0.01634 -0.01910 0.02017 0.07004 -0.00547 123 7D 0 0.05579 -0.02533 0.04220 0.02176 -0.02892 124 7D+1 0.20960 0.02447 0.03412 0.02852 0.00684 125 7D-1 -0.10105 -0.05894 0.00427 -0.01481 0.03955 126 7D+2 0.04590 0.03299 0.13516 -0.01643 0.05318 127 7D-2 0.05700 -0.05747 0.02327 0.01256 -0.01535 128 8D 0 0.01840 -0.00872 0.01382 0.00613 -0.00873 129 8D+1 0.06865 0.01086 0.01195 0.00950 0.00315 130 8D-1 -0.03464 -0.01889 0.00160 -0.00473 0.01108 131 8D+2 0.01635 0.01089 0.04441 -0.00423 0.01625 132 8D-2 0.01956 -0.02209 0.00828 0.00162 -0.00513 133 7 Cu 1S 0.00101 0.00104 0.00066 -0.00248 0.00646 134 2S -0.08485 0.02827 0.27381 -0.05963 0.12735 135 3S 0.03658 0.02415 -0.01659 0.01337 0.16204 136 4PX 0.00398 0.03768 -0.00376 -0.00554 0.02837 137 4PY 0.01024 -0.02828 0.02648 -0.00902 -0.01449 138 4PZ 0.02805 0.02334 0.01931 0.01115 -0.02532 139 5PX -0.00170 -0.08691 -0.02447 0.02601 -0.09647 140 5PY -0.01855 0.06437 -0.07608 0.03702 0.02814 141 5PZ -0.07469 -0.06007 -0.02773 -0.04320 0.08126 142 6PX 0.00997 -0.03210 -0.03541 0.03177 -0.05995 143 6PY 0.01404 0.03278 -0.07711 -0.04087 0.06704 144 6PZ -0.03252 -0.01125 0.01804 -0.03232 0.06009 145 7D 0 -0.14133 -0.04364 -0.05673 0.05449 -0.01322 146 7D+1 0.18693 0.01610 0.00709 -0.00378 -0.04620 147 7D-1 0.06405 0.06848 -0.00171 0.08490 0.01285 148 7D+2 -0.04485 0.19451 -0.04533 -0.01553 -0.00459 149 7D-2 0.00533 0.01721 0.09501 0.02546 0.01901 150 8D 0 -0.04938 -0.01602 -0.01718 0.01650 -0.00347 151 8D+1 0.06388 0.00469 0.00065 -0.00118 -0.01383 152 8D-1 0.02172 0.02477 -0.00417 0.02555 0.00270 153 8D+2 -0.01534 0.06625 -0.01151 -0.00499 -0.00243 154 8D-2 0.00373 0.00381 0.03150 0.00753 0.00489 155 8 Cu 1S 0.00254 -0.00035 -0.00258 -0.00590 -0.00077 156 2S -0.21771 0.05278 -0.23228 -0.19927 -0.04937 157 3S 0.06630 -0.02807 -0.09540 -0.11182 0.00058 158 4PX 0.00200 0.02645 0.00814 0.00082 0.02726 159 4PY -0.01178 -0.01769 0.01184 -0.00487 0.01377 160 4PZ -0.00427 0.01877 -0.00857 0.03281 -0.02140 161 5PX -0.00127 -0.08092 -0.02968 -0.00044 -0.08882 162 5PY 0.00182 0.06151 -0.05337 -0.00598 -0.05328 163 5PZ -0.02996 -0.04197 0.00792 -0.14967 0.05627 164 6PX 0.00027 -0.00419 0.00956 0.04044 -0.00865 165 6PY 0.00097 0.01640 -0.02445 -0.10630 0.01288 166 6PZ -0.02222 -0.00668 -0.00934 0.00438 0.00730 167 7D 0 -0.03197 -0.10574 0.03825 -0.03590 0.05266 168 7D+1 -0.04791 -0.10252 -0.02400 0.00401 -0.04408 169 7D-1 -0.00517 -0.00178 -0.04261 -0.02581 0.01814 170 7D+2 -0.01216 -0.08871 0.05679 -0.01887 0.00269 171 7D-2 -0.04119 -0.08820 -0.04104 0.00975 -0.02565 172 8D 0 -0.01399 -0.03401 0.00872 -0.01401 0.01638 173 8D+1 -0.01539 -0.03538 -0.00744 0.00139 -0.01522 174 8D-1 -0.00363 0.00012 -0.01508 -0.01041 0.00556 175 8D+2 -0.00512 -0.02943 0.01678 -0.00508 0.00137 176 8D-2 -0.01122 -0.02937 -0.01041 0.00359 -0.00844 177 9 C 1S 0.01793 -0.02207 0.01349 -0.00301 0.00423 178 2S -0.04134 0.05402 -0.03377 0.00820 -0.01018 179 3S -0.07461 0.07881 -0.04620 0.01115 -0.03355 180 4PX 0.01790 -0.04215 -0.08321 0.21580 0.40971 181 4PY -0.03854 0.05752 -0.06395 0.00859 0.10041 182 4PZ -0.05749 -0.03022 0.05255 0.31240 -0.14098 183 5PX 0.00963 -0.01823 -0.04260 0.12070 0.23990 184 5PY -0.01124 0.01341 -0.02027 0.00706 0.05200 185 5PZ -0.02478 -0.01672 0.02575 0.17288 -0.08276 186 10 O 1S -0.00360 0.00433 -0.00257 0.00025 0.00007 187 2S 0.01221 -0.01482 0.00877 -0.00156 0.00053 188 3S 0.00809 -0.00917 0.00570 0.00234 -0.00338 189 4PX -0.01536 0.03899 0.08321 -0.16574 -0.29882 190 4PY 0.02151 -0.03585 0.04852 -0.00544 -0.07525 191 4PZ 0.06472 0.03574 -0.05300 -0.24024 0.10239 192 5PX -0.00880 0.02384 0.05618 -0.12057 -0.22105 193 5PY 0.00371 -0.01066 0.02451 -0.00258 -0.05445 194 5PZ 0.03937 0.02448 -0.03475 -0.17030 0.07480 86 87 88 89 90 V V V V V EIGENVALUES -- -0.08178 -0.07484 -0.05765 -0.04991 -0.03818 1 1 Cu 1S -0.00271 0.00040 -0.00281 -0.00521 0.00456 2 2S -0.18250 -0.00071 -0.04290 -0.13584 0.03123 3 3S 0.27551 0.07304 -0.13131 -0.04781 0.09155 4 4PX -0.01122 0.00385 0.01199 -0.01695 -0.05858 5 4PY -0.02012 -0.00419 0.01108 0.03360 -0.01265 6 4PZ 0.01535 -0.01654 -0.00655 0.00151 -0.01814 7 5PX 0.01968 -0.03948 -0.06219 0.01249 0.21779 8 5PY 0.00301 0.00570 0.00679 -0.07203 0.06528 9 5PZ -0.06722 0.10345 0.06796 0.03740 0.06335 10 6PX -0.09301 0.06016 0.01750 0.03931 -0.04426 11 6PY -0.02339 -0.11372 -0.07144 -0.08586 0.18890 12 6PZ 0.29574 -0.21067 -0.03889 -0.28090 -0.00818 13 7D 0 -0.06726 -0.04013 -0.00194 0.06902 0.02364 14 7D+1 -0.00724 -0.11144 0.00092 -0.02237 -0.00460 15 7D-1 0.02508 0.01052 -0.06423 -0.03151 -0.01518 16 7D+2 -0.02041 -0.00753 0.04248 0.07528 -0.02455 17 7D-2 0.00901 -0.00320 -0.02412 0.05101 -0.01199 18 8D 0 -0.02200 -0.01103 -0.00089 0.01921 0.00862 19 8D+1 0.00069 -0.03214 0.00068 -0.00439 -0.00343 20 8D-1 0.00561 0.00205 -0.01938 -0.01164 -0.00471 21 8D+2 -0.00511 -0.00295 0.01282 0.02384 -0.00808 22 8D-2 0.00240 -0.00239 -0.00520 0.01254 -0.00374 23 2 Cu 1S -0.00234 -0.00230 0.00242 0.00753 -0.00126 24 2S -0.10270 -0.07413 0.09069 0.24102 -0.03491 25 3S -0.02742 -0.01171 0.03703 0.11266 0.08364 26 4PX 0.00283 -0.01078 0.00227 -0.00062 -0.00507 27 4PY 0.03651 0.00125 -0.01252 -0.02962 0.00627 28 4PZ -0.02475 0.01159 0.00033 -0.00025 0.00283 29 5PX -0.01609 0.04810 0.01094 -0.01672 -0.00621 30 5PY -0.11530 0.00103 0.06057 0.13622 0.01989 31 5PZ 0.12504 -0.04079 0.04014 0.01015 -0.00264 32 6PX 0.04569 -0.04124 -0.06306 -0.04070 0.02613 33 6PY 0.01410 -0.05380 0.05298 0.07430 -0.03131 34 6PZ -0.25499 0.09128 -0.10202 0.13736 -0.01624 35 7D 0 -0.00787 -0.01890 0.04205 -0.06216 0.05690 36 7D+1 -0.03949 -0.04223 -0.02612 -0.03709 -0.01221 37 7D-1 0.11451 -0.05444 0.11576 0.01705 -0.00275 38 7D+2 0.03076 -0.02044 -0.04991 -0.05270 -0.03574 39 7D-2 -0.03701 0.05598 0.09579 -0.07554 -0.04715 40 8D 0 -0.00176 -0.00219 0.00676 -0.01609 0.01208 41 8D+1 -0.00697 -0.00847 -0.00614 -0.00854 -0.00330 42 8D-1 0.02467 -0.01124 0.02453 0.00679 -0.00189 43 8D+2 0.00869 -0.00238 -0.01296 -0.01749 -0.00718 44 8D-2 -0.00633 0.01218 0.01756 -0.02119 -0.00998 45 3 Cu 1S 0.01115 -0.00843 -0.00169 -0.00301 0.00271 46 2S 0.17767 -0.19778 -0.03584 -0.03678 -0.00548 47 3S 0.22411 -0.25607 -0.01751 -0.17255 0.12178 48 4PX -0.00325 0.03297 0.02702 0.00300 -0.05363 49 4PY -0.01992 0.00487 0.02089 0.04250 -0.00674 50 4PZ 0.04831 -0.00229 -0.00048 -0.02136 -0.01764 51 5PX 0.01978 -0.16253 -0.11598 -0.00932 0.19799 52 5PY 0.05002 -0.00400 -0.06518 -0.17025 0.03605 53 5PZ -0.19849 0.04411 0.03070 0.08576 0.08783 54 6PX 0.04435 -0.06382 -0.08285 -0.04237 0.20569 55 6PY 0.17560 -0.07307 -0.03530 -0.13129 0.04470 56 6PZ -0.08590 0.03023 -0.00399 0.05147 0.07299 57 7D 0 0.03639 0.02423 0.01420 -0.01283 -0.02291 58 7D+1 -0.04968 -0.02035 0.00063 -0.00064 -0.02278 59 7D-1 -0.01970 0.00292 0.02307 0.04299 -0.01580 60 7D+2 -0.03276 -0.03162 -0.02696 0.00614 0.02435 61 7D-2 0.01181 0.00362 -0.02355 -0.02827 -0.01824 62 8D 0 0.01253 0.00600 0.00555 -0.00327 -0.00740 63 8D+1 -0.01617 -0.00458 -0.00031 0.00055 -0.00618 64 8D-1 -0.00756 0.00276 0.00812 0.01399 -0.00364 65 8D+2 -0.00909 -0.00822 -0.00739 0.00138 0.00884 66 8D-2 0.00479 0.00032 -0.00693 -0.00840 -0.00525 67 4 Cu 1S 0.00645 0.01077 0.00624 -0.00169 0.00172 68 2S 0.07183 0.26929 0.14593 -0.02902 -0.00789 69 3S 0.15515 0.16673 0.15486 -0.02175 0.16011 70 4PX 0.01340 0.02599 -0.01204 -0.00790 0.05938 71 4PY -0.01180 -0.01190 0.03515 0.03167 0.02695 72 4PZ 0.04787 0.02806 0.00972 0.00460 -0.01994 73 5PX -0.03299 -0.12589 0.03276 0.00435 -0.20317 74 5PY 0.02219 0.02887 -0.14219 -0.07926 -0.09377 75 5PZ -0.18189 -0.14476 -0.06062 -0.00790 0.09082 76 6PX -0.07083 -0.09710 -0.18519 0.01085 -0.11410 77 6PY 0.08271 -0.02171 0.09189 -0.12873 -0.13187 78 6PZ -0.05525 -0.07041 0.05085 0.02245 -0.04170 79 7D 0 0.01610 0.01642 -0.02406 0.03740 0.00554 80 7D+1 0.06492 -0.01718 -0.00899 -0.02965 0.02661 81 7D-1 0.01102 -0.01888 0.01764 0.02111 0.02477 82 7D+2 0.00420 0.02478 -0.01391 -0.00219 -0.01172 83 7D-2 -0.01593 0.01593 -0.01133 0.07119 -0.00495 84 8D 0 0.00376 0.00705 -0.00646 0.01003 0.00257 85 8D+1 0.01784 -0.00145 -0.00119 -0.01002 0.00833 86 8D-1 0.00211 -0.00465 0.00571 0.00937 0.00811 87 8D+2 0.00216 0.00664 -0.00302 -0.00279 -0.00357 88 8D-2 -0.00653 0.00377 -0.00262 0.01947 0.00079 89 5 Cu 1S 0.00600 0.00858 -0.00949 0.00260 -0.00248 90 2S 0.11529 0.19244 -0.17695 0.03638 -0.08828 91 3S 0.04977 0.16835 -0.28441 0.09879 -0.00196 92 4PX -0.00399 -0.03376 0.01189 -0.03627 -0.04216 93 4PY 0.02052 -0.01935 -0.01404 0.03588 -0.02817 94 4PZ -0.04162 -0.02784 0.01760 0.01678 0.00881 95 5PX 0.01932 0.14781 -0.07074 0.14948 0.13395 96 5PY -0.07083 0.04227 0.07600 -0.13091 0.12236 97 5PZ 0.17929 0.14486 -0.06678 -0.03853 -0.06512 98 6PX 0.04373 0.05383 0.00925 0.09561 0.18672 99 6PY -0.22343 0.06444 -0.09907 0.02917 0.12212 100 6PZ 0.00767 0.10063 -0.15623 0.02054 -0.06685 101 7D 0 0.03915 -0.00462 -0.01132 -0.04901 0.00445 102 7D+1 0.02108 0.01101 -0.00559 0.01119 0.02701 103 7D-1 -0.05110 0.00899 -0.04040 -0.03528 0.00521 104 7D+2 0.00341 0.04235 0.03139 0.01107 0.02676 105 7D-2 -0.00787 0.00911 0.01610 -0.00771 -0.03313 106 8D 0 0.01175 -0.00033 -0.00576 -0.01604 -0.00038 107 8D+1 0.00788 0.00454 -0.00238 0.00257 0.00820 108 8D-1 -0.01636 0.00433 -0.01019 -0.00960 0.00132 109 8D+2 0.00080 0.01272 0.00806 0.00185 0.00931 110 8D-2 -0.00320 0.00212 0.00373 -0.00364 -0.00810 111 6 Cu 1S 0.00323 -0.00118 -0.00656 0.01192 -0.00122 112 2S 0.01878 -0.04161 -0.16688 0.15338 -0.06252 113 3S 0.05473 -0.02852 -0.16267 0.31720 0.05593 114 4PX 0.02055 -0.00044 -0.01758 0.03795 0.03475 115 4PY -0.01661 0.01052 0.00584 -0.05731 0.02196 116 4PZ 0.01216 0.04709 -0.02360 -0.01087 0.00648 117 5PX -0.06857 0.00581 0.09348 -0.16966 -0.09350 118 5PY 0.04210 -0.02802 -0.04961 0.23960 -0.10004 119 5PZ -0.04548 -0.17302 0.09727 0.03379 -0.00099 120 6PX -0.01275 0.02739 0.12213 -0.16288 -0.13411 121 6PY 0.08245 0.01497 0.04257 0.12605 -0.09540 122 6PZ 0.02849 -0.01518 0.18286 -0.01931 -0.01931 123 7D 0 -0.05381 -0.01104 -0.01677 -0.01483 0.03447 124 7D+1 0.01233 -0.00262 -0.02442 -0.01132 -0.01565 125 7D-1 -0.01602 -0.04887 -0.03657 -0.03875 -0.01345 126 7D+2 0.00148 -0.00677 0.01431 0.01307 0.02784 127 7D-2 -0.03205 0.00675 -0.00272 -0.00797 -0.05736 128 8D 0 -0.01565 -0.00157 -0.00270 -0.00392 0.00761 129 8D+1 0.00405 -0.00178 -0.00689 -0.00185 -0.00422 130 8D-1 -0.00379 -0.01225 -0.00860 -0.01051 -0.00410 131 8D+2 -0.00009 -0.00262 0.00307 0.00414 0.01002 132 8D-2 -0.00999 0.00279 0.00029 -0.00311 -0.01574 133 7 Cu 1S 0.00180 -0.00506 -0.00109 -0.00648 0.00490 134 2S -0.05641 -0.17873 0.00266 -0.17044 0.06322 135 3S 0.09852 -0.01736 -0.10163 -0.14359 0.17478 136 4PX 0.01527 -0.00468 -0.00611 -0.01495 0.05602 137 4PY 0.01815 -0.00711 0.00595 0.02320 0.01616 138 4PZ -0.02426 0.02140 0.02031 0.02178 0.03492 139 5PX -0.03169 0.06187 0.00290 0.05487 -0.21008 140 5PY -0.04489 0.03532 -0.02523 -0.03382 -0.05828 141 5PZ 0.05987 -0.09040 -0.07883 -0.07675 -0.11285 142 6PX -0.00804 0.02346 0.04206 0.05697 -0.10199 143 6PY -0.08908 0.13198 0.01913 0.01239 -0.14698 144 6PZ 0.00031 0.02088 0.04692 0.04792 0.07567 145 7D 0 -0.01805 -0.05765 -0.02162 0.02163 -0.00436 146 7D+1 -0.05220 -0.05691 0.03370 0.03224 -0.01573 147 7D-1 -0.00428 0.03059 -0.04685 -0.02643 -0.01504 148 7D+2 0.01105 -0.02262 0.00310 -0.02110 -0.01466 149 7D-2 0.04582 -0.03219 -0.02045 0.06931 0.00080 150 8D 0 -0.00495 -0.01627 -0.00477 0.00510 -0.00145 151 8D+1 -0.01521 -0.01457 0.01023 0.01301 -0.00655 152 8D-1 0.00013 0.01028 -0.01151 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0.00461 -0.02062 17 7D-2 -0.00983 -0.01102 -0.00405 -0.03770 0.00417 18 8D 0 0.00595 -0.00722 0.01481 0.00437 0.00877 19 8D+1 -0.00343 -0.00103 -0.00624 -0.00619 0.00568 20 8D-1 0.00154 -0.00449 -0.01097 0.01287 0.01376 21 8D+2 0.01557 -0.01101 -0.01162 0.00246 -0.00814 22 8D-2 -0.00231 -0.00211 -0.00266 -0.01255 0.00253 23 2 Cu 1S -0.00176 0.00010 -0.00075 0.00360 -0.00115 24 2S 0.00128 0.00477 -0.03355 0.08756 -0.01246 25 3S 0.06147 0.15720 -0.34425 0.58556 0.12781 26 4PX 0.02009 -0.01345 0.01405 0.01719 -0.01419 27 4PY 0.00477 -0.00946 0.00504 -0.00226 -0.00205 28 4PZ -0.01274 0.02515 0.00986 -0.02359 -0.03771 29 5PX -0.08759 0.03003 0.00905 -0.03505 0.07873 30 5PY 0.04988 0.02778 -0.05386 0.02735 -0.00120 31 5PZ 0.06170 -0.04422 -0.00521 0.03872 0.10176 32 6PX -0.02259 0.02716 0.05156 -0.06996 0.48621 33 6PY -0.15332 0.16379 -0.27041 0.38211 -0.16701 34 6PZ 0.03817 0.02559 0.10637 0.04457 -0.21219 35 7D 0 -0.03051 0.05420 0.00247 0.01912 -0.00625 36 7D+1 0.03775 -0.00792 -0.01059 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-0.32955 -0.05252 57 7D 0 0.01565 -0.00249 0.02490 -0.00606 -0.01355 58 7D+1 0.00222 0.01830 0.03958 0.03201 -0.01432 59 7D-1 -0.02308 -0.00187 -0.00535 0.03141 0.01240 60 7D+2 0.01650 -0.00017 -0.00811 -0.00465 -0.01590 61 7D-2 0.00435 0.01084 0.01077 0.00933 0.00678 62 8D 0 0.00325 -0.00094 0.00449 -0.00202 -0.00412 63 8D+1 0.00038 0.00256 0.00912 0.00765 -0.00118 64 8D-1 -0.00628 -0.00211 -0.00054 0.00690 -0.00008 65 8D+2 0.00218 0.00115 -0.00407 -0.00037 -0.00265 66 8D-2 0.00046 0.00374 0.00138 0.00135 0.00155 67 4 Cu 1S -0.00041 -0.00240 -0.00322 -0.00262 0.00476 68 2S -0.01798 0.04711 0.06340 0.00805 0.06093 69 3S 0.16311 0.04298 0.26698 -0.11343 0.38487 70 4PX -0.01023 -0.02735 -0.00409 0.01981 0.02030 71 4PY 0.00377 -0.02509 -0.00136 -0.02399 -0.01496 72 4PZ 0.00574 -0.01830 -0.05436 -0.03772 0.01580 73 5PX 0.02980 0.07877 0.08423 -0.06524 -0.08088 74 5PY -0.00658 0.10429 -0.02694 0.16244 0.05383 75 5PZ 0.03560 0.12541 0.24705 0.12542 -0.13002 76 6PX -0.00156 0.24463 0.17442 0.00682 0.19780 77 6PY -0.02834 0.07786 -0.01679 0.24468 -0.16940 78 6PZ 0.02635 0.10733 0.39469 0.24459 -0.75480 79 7D 0 0.02824 0.04542 -0.01277 -0.01216 -0.04065 80 7D+1 -0.01188 -0.00207 0.02267 -0.01354 -0.02799 81 7D-1 0.04470 0.00234 -0.02355 0.04166 0.00549 82 7D+2 0.02929 -0.04410 0.02624 0.02100 -0.01103 83 7D-2 -0.04914 -0.01214 -0.00501 0.02844 -0.03927 84 8D 0 0.01003 0.01558 -0.00397 -0.00521 -0.01105 85 8D+1 -0.00298 0.00003 0.00679 -0.00438 -0.00545 86 8D-1 0.01158 -0.00038 -0.00631 0.01184 -0.00106 87 8D+2 0.00656 -0.01244 0.00942 0.00720 -0.00190 88 8D-2 -0.01104 -0.00382 -0.00235 0.00671 -0.00934 89 5 Cu 1S 0.00040 0.00203 0.00526 -0.00246 0.00050 90 2S -0.05091 -0.05555 -0.04231 0.02389 0.00299 91 3S 0.15663 -0.12487 -0.13478 -0.09941 -0.02209 92 4PX 0.01392 -0.00675 -0.02943 0.02474 -0.01614 93 4PY 0.04649 -0.00094 0.02535 -0.00281 0.03823 94 4PZ -0.01141 -0.03633 -0.03824 0.01337 0.03516 95 5PX -0.08005 0.02037 0.17301 -0.10188 0.08546 96 5PY -0.14685 0.02307 -0.13397 0.05845 -0.17050 97 5PZ 0.02391 0.15947 0.20907 -0.03467 -0.15613 98 6PX -0.10192 -0.00557 0.35212 -0.22908 0.26043 99 6PY -0.10859 0.00182 -0.16880 0.19030 -0.38178 100 6PZ 0.11920 0.21783 0.45881 -0.13034 -0.30945 101 7D 0 0.01688 -0.03077 -0.00428 -0.01835 0.00420 102 7D+1 -0.00421 0.03037 -0.03948 -0.02287 0.00898 103 7D-1 -0.00998 -0.02371 0.00256 -0.05555 -0.00299 104 7D+2 -0.00393 -0.02087 0.00433 0.00611 -0.01688 105 7D-2 -0.05671 0.00683 0.01779 -0.01278 0.03196 106 8D 0 0.00347 -0.00781 -0.00212 -0.00437 -0.00204 107 8D+1 -0.00195 0.00630 -0.01220 -0.00558 0.00077 108 8D-1 -0.00631 -0.00667 0.00214 -0.01443 -0.00099 109 8D+2 -0.00184 -0.00516 -0.00044 -0.00155 -0.00508 110 8D-2 -0.01500 0.00175 0.00404 -0.00420 0.00436 111 6 Cu 1S -0.00117 -0.00034 -0.00257 0.00145 -0.00677 112 2S -0.08236 -0.03096 0.09051 -0.01074 -0.05984 113 3S 0.04090 -0.05172 0.20045 -0.17253 -0.21116 114 4PX -0.02343 0.02355 -0.03666 0.01165 -0.01151 115 4PY -0.04073 0.02279 0.02700 0.00772 0.02805 116 4PZ 0.01604 0.01023 -0.00055 0.04897 -0.03091 117 5PX 0.12065 -0.06892 0.16889 -0.05446 0.08891 118 5PY 0.13371 -0.07973 -0.09935 0.03220 -0.14635 119 5PZ -0.03820 0.00527 0.04556 -0.17545 0.14442 120 6PX 0.14095 -0.13056 0.35351 -0.06766 0.16214 121 6PY 0.19231 -0.15289 -0.22870 0.10397 -0.57690 122 6PZ -0.08997 -0.02146 0.10159 -0.30981 -0.10460 123 7D 0 0.01296 -0.02010 0.02530 0.00106 -0.05002 124 7D+1 0.02195 0.05871 0.01287 -0.00522 0.00407 125 7D-1 -0.02198 -0.00658 -0.02912 -0.01461 -0.03350 126 7D+2 -0.01126 0.01414 0.02394 0.03564 0.01436 127 7D-2 -0.03361 0.01059 -0.00106 0.02295 -0.00796 128 8D 0 0.00275 -0.00542 0.00637 0.00221 -0.01065 129 8D+1 0.00581 0.01623 0.00725 0.00265 0.00115 130 8D-1 -0.00913 -0.00329 -0.00766 -0.00515 -0.00537 131 8D+2 -0.00520 0.00714 0.00601 0.01030 0.00580 132 8D-2 -0.00854 0.00339 0.00010 0.00807 -0.00292 133 7 Cu 1S 0.00742 0.00071 -0.00205 -0.00281 -0.00324 134 2S 0.07982 -0.02811 0.01865 0.07825 -0.00360 135 3S 0.27768 -0.22522 0.13432 0.23721 0.24818 136 4PX 0.00626 0.02773 0.00788 -0.03729 -0.00688 137 4PY 0.06926 -0.01305 -0.01363 0.01199 -0.02219 138 4PZ -0.01347 -0.00263 0.04940 0.02657 0.00134 139 5PX -0.04274 -0.10683 0.05980 0.16781 0.06476 140 5PY -0.25586 0.05455 0.00765 0.00756 0.08847 141 5PZ 0.08700 0.07796 -0.12816 -0.12254 -0.03077 142 6PX -0.24462 -0.09048 0.09977 0.33827 0.08375 143 6PY -0.08647 -0.04964 0.09350 0.13689 -0.04073 144 6PZ 0.14410 -0.02705 -0.11475 -0.21056 -0.27479 145 7D 0 -0.01550 -0.04262 -0.02336 -0.01823 0.01931 146 7D+1 0.01116 0.03010 0.01463 -0.01926 0.00040 147 7D-1 0.01671 0.01485 0.03413 0.01678 -0.00002 148 7D+2 0.00572 -0.00489 0.05003 -0.02273 0.00135 149 7D-2 0.00240 0.01754 0.00514 0.01896 0.02986 150 8D 0 -0.00593 -0.01442 -0.00924 -0.00592 0.00798 151 8D+1 0.00471 0.00981 0.00655 -0.00484 -0.00069 152 8D-1 0.00574 0.00578 0.01135 0.00388 0.00223 153 8D+2 0.00173 -0.00161 0.01772 -0.00717 0.00137 154 8D-2 0.00462 0.00586 0.00088 0.00582 0.00851 155 8 Cu 1S 0.00205 0.00296 0.00173 0.00616 0.00475 156 2S -0.01569 -0.04069 0.00834 0.00467 0.03744 157 3S 0.08588 -0.06262 0.05239 0.00216 -0.13752 158 4PX -0.00871 0.01758 0.00643 -0.02266 0.05055 159 4PY -0.05179 0.00096 -0.02384 -0.00724 -0.01927 160 4PZ 0.00328 -0.05921 0.00914 -0.04436 -0.00851 161 5PX 0.03919 -0.06587 0.02370 0.08827 -0.21931 162 5PY 0.19613 -0.01248 0.07107 0.06838 0.08864 163 5PZ -0.00945 0.25050 0.00480 0.19924 0.08810 164 6PX 0.05026 -0.14272 0.09780 0.14411 -0.87961 165 6PY 0.24564 0.01441 0.14778 0.24750 0.18336 166 6PZ 0.02258 0.29247 0.02921 0.35800 0.26925 167 7D 0 -0.02516 0.00001 -0.04357 -0.00231 0.00330 168 7D+1 0.02450 -0.00902 -0.04349 -0.00817 0.02264 169 7D-1 0.03365 0.01401 -0.00438 -0.01899 -0.04071 170 7D+2 0.01455 -0.01126 -0.00860 0.04010 -0.00748 171 7D-2 -0.01477 -0.01949 -0.01635 -0.00052 -0.01510 172 8D 0 -0.00945 0.00057 -0.01357 0.00085 -0.00071 173 8D+1 0.00714 -0.00446 -0.01221 -0.00027 0.00035 174 8D-1 0.01077 0.00155 -0.00088 -0.00448 -0.01000 175 8D+2 0.00101 -0.00251 -0.00637 0.01007 -0.00201 176 8D-2 -0.00075 -0.00403 -0.00644 0.00128 -0.00560 177 9 C 1S 0.00392 -0.01329 0.00942 -0.00647 -0.00348 178 2S -0.01763 0.04232 -0.03204 0.02920 0.00914 179 3S 0.00992 0.07264 -0.06823 0.03258 0.00169 180 4PX 0.22503 -0.08414 -0.00607 0.01505 -0.08607 181 4PY 0.06643 0.01738 -0.03694 0.04549 0.01430 182 4PZ -0.20782 0.03354 0.00993 -0.07569 -0.21153 183 5PX 0.13575 -0.05002 -0.00452 0.02475 -0.06383 184 5PY 0.06814 -0.00077 -0.01530 0.00918 0.00961 185 5PZ -0.12813 0.02974 0.00847 -0.05768 -0.14054 186 10 O 1S 0.00145 -0.00419 0.00723 -0.00997 0.00518 187 2S -0.00369 0.01050 -0.02009 0.02845 -0.01515 188 3S -0.00800 0.02781 -0.04039 0.05270 -0.02616 189 4PX -0.12236 0.04670 -0.00808 -0.01844 0.03322 190 4PY -0.03665 0.00018 0.01037 -0.01923 -0.01094 191 4PZ 0.10938 -0.03248 -0.01345 0.04642 0.09145 192 5PX -0.10222 0.03711 -0.00069 -0.01139 0.03228 193 5PY -0.03300 -0.00280 0.01657 -0.02268 -0.00010 194 5PZ 0.09439 -0.02133 -0.00690 0.03559 0.08727 96 97 98 99 100 V V V V V EIGENVALUES -- 0.01819 0.02573 0.02993 0.03391 0.03596 1 1 Cu 1S -0.00067 0.00063 0.00126 0.00168 -0.00166 2 2S 0.08000 0.12081 0.02529 0.02259 0.11713 3 3S 1.23311 1.83322 0.38710 0.37599 1.85717 4 4PX 0.00642 0.01331 -0.00167 0.00486 0.01770 5 4PY 0.01562 0.02108 -0.00067 -0.01124 0.00177 6 4PZ 0.00856 -0.00473 0.00902 -0.00882 -0.00308 7 5PX -0.07401 -0.08073 0.03272 0.01737 -0.21473 8 5PY -0.13585 -0.12635 -0.00026 0.06912 -0.10871 9 5PZ -0.04888 0.02136 -0.11357 0.04713 0.03490 10 6PX -0.05786 0.67384 -0.29126 0.42538 -0.26781 11 6PY 0.15609 -0.16833 0.60550 0.60658 -0.15860 12 6PZ 0.28820 -0.96987 0.99556 -0.14217 0.34036 13 7D 0 0.00797 -0.00821 0.00060 0.05319 0.02441 14 7D+1 0.00458 -0.03657 0.03899 0.00385 0.00452 15 7D-1 0.00907 0.01781 0.00136 -0.01086 -0.00518 16 7D+2 -0.00421 0.00233 -0.00476 0.00433 0.01190 17 7D-2 0.01051 -0.04155 -0.03303 0.01692 0.02549 18 8D 0 0.00081 0.00148 0.00013 0.01494 0.01244 19 8D+1 0.00031 -0.01207 0.01054 0.00144 -0.00228 20 8D-1 0.00718 0.00611 -0.00072 -0.00328 0.00190 21 8D+2 -0.00374 -0.00156 -0.00046 0.00297 0.00443 22 8D-2 0.00330 -0.01101 -0.01065 0.00401 0.00950 23 2 Cu 1S -0.00017 -0.00201 -0.00121 0.00186 0.00256 24 2S -0.02441 -0.02429 0.00494 0.07418 0.08220 25 3S -0.68631 0.11877 0.37510 1.59731 1.31274 26 4PX -0.00883 0.01396 0.03254 -0.01806 -0.00150 27 4PY -0.01463 -0.01423 -0.00253 -0.00138 -0.00446 28 4PZ -0.00578 -0.00345 0.02298 0.01494 -0.01077 29 5PX 0.01679 -0.04224 -0.08776 0.10129 -0.04144 30 5PY 0.02870 0.03752 0.01142 -0.00236 -0.01081 31 5PZ 0.01837 0.02709 -0.12670 -0.08857 0.03694 32 6PX 0.45303 -0.02735 0.20944 -0.18994 -0.21730 33 6PY -1.01207 -0.82440 -0.09398 1.28743 0.94807 34 6PZ -0.29214 -0.10561 -0.74452 0.22094 0.11659 35 7D 0 0.00580 0.02222 0.03648 0.00106 0.01365 36 7D+1 0.03000 -0.01731 -0.01794 0.00554 0.00327 37 7D-1 0.01225 -0.01290 0.01077 0.00509 -0.01548 38 7D+2 0.00634 0.03482 -0.01416 0.00945 0.01083 39 7D-2 -0.03753 0.03202 0.03761 -0.00889 0.00198 40 8D 0 0.00194 0.00846 0.00911 -0.00299 0.00300 41 8D+1 0.00789 -0.00394 -0.00195 0.00037 -0.00293 42 8D-1 -0.00251 -0.00412 0.00235 0.00336 -0.00173 43 8D+2 0.00901 0.00960 -0.00438 -0.00742 -0.00029 44 8D-2 -0.00292 0.00938 0.00827 -0.00786 -0.00726 45 3 Cu 1S -0.00067 0.00128 -0.00213 -0.00088 0.00106 46 2S -0.03565 -0.07438 -0.06601 -0.10422 0.00268 47 3S 0.02184 -0.85917 -0.46874 -1.06909 -0.00325 48 4PX -0.02136 0.03726 -0.00921 -0.00352 -0.02098 49 4PY 0.01398 -0.00978 -0.02031 0.03907 -0.00474 50 4PZ -0.03244 0.01338 -0.02065 -0.01898 0.00510 51 5PX 0.10282 -0.14667 0.08564 0.02410 0.08314 52 5PY -0.10336 0.02896 0.12285 -0.14970 0.02904 53 5PZ 0.15791 -0.12489 0.05682 0.06295 -0.08740 54 6PX 0.42289 -0.47003 0.83702 0.52276 0.07195 55 6PY -0.28483 -0.18222 1.05830 -0.72096 0.07751 56 6PZ 0.26302 -0.93965 0.17035 -0.11589 -0.72632 57 7D 0 0.00162 -0.03587 0.02247 0.00518 -0.04070 58 7D+1 0.01125 0.02464 0.02328 -0.01147 0.03475 59 7D-1 -0.02053 -0.01201 0.00288 -0.00339 0.00534 60 7D+2 -0.00734 0.00796 -0.00525 -0.00492 0.02139 61 7D-2 0.03434 0.00089 -0.04629 0.00153 0.00377 62 8D 0 -0.00427 -0.00765 0.00092 -0.00033 -0.01233 63 8D+1 0.00419 0.01107 0.00756 -0.00055 0.00794 64 8D-1 -0.00623 -0.00371 0.00027 0.00464 0.00065 65 8D+2 -0.00118 -0.00278 -0.00111 0.00164 0.00709 66 8D-2 0.00637 0.00143 -0.00807 -0.00148 0.00116 67 4 Cu 1S 0.00061 -0.00490 0.00160 0.00167 0.00084 68 2S -0.00394 -0.04752 0.04128 -0.00112 -0.08768 69 3S 0.26311 0.06533 0.50630 0.14674 -1.27377 70 4PX 0.01087 -0.03749 -0.00601 0.00366 0.01292 71 4PY -0.03103 -0.00444 0.05027 -0.00011 -0.00298 72 4PZ -0.00389 -0.02308 -0.01268 0.01737 -0.03117 73 5PX -0.06760 0.18236 0.04306 -0.01527 -0.16826 74 5PY 0.09493 0.01823 -0.21935 0.02939 -0.01968 75 5PZ -0.00340 0.09048 0.02460 -0.11407 0.09800 76 6PX -0.18508 -0.07740 0.24613 -0.06114 -0.59915 77 6PY 0.17988 0.11217 -0.76721 -0.27920 0.00686 78 6PZ -0.32471 0.28148 -0.37193 -0.80099 -0.10746 79 7D 0 0.02198 -0.03134 0.01125 -0.01183 0.01081 80 7D+1 -0.05496 0.00927 -0.03843 -0.03206 -0.02815 81 7D-1 -0.01586 0.00050 0.00087 -0.02292 -0.01319 82 7D+2 0.00696 -0.00766 0.02124 0.01268 -0.00448 83 7D-2 0.01151 -0.00801 -0.01631 0.02451 -0.01324 84 8D 0 0.00467 -0.00933 -0.00070 -0.00211 0.00340 85 8D+1 -0.01468 -0.00131 -0.00975 -0.00704 -0.01241 86 8D-1 -0.00660 -0.00043 0.00426 -0.00381 -0.00711 87 8D+2 -0.00054 -0.00169 0.00436 0.00391 -0.00120 88 8D-2 0.00022 -0.00384 -0.00419 0.00744 -0.00155 89 5 Cu 1S -0.00526 -0.00088 0.00189 -0.00036 0.00163 90 2S -0.05826 -0.02989 0.00081 -0.08918 -0.01374 91 3S -0.06150 0.06076 -0.09603 -0.82332 -0.30206 92 4PX 0.03662 -0.01276 0.01712 0.01397 -0.01576 93 4PY -0.00787 -0.02237 -0.02035 0.00585 0.01106 94 4PZ 0.01256 0.01897 -0.03064 0.00324 0.00403 95 5PX -0.17760 0.06760 -0.05794 -0.05096 0.01595 96 5PY -0.00039 0.09707 0.08278 -0.00594 -0.06696 97 5PZ -0.07710 -0.03992 0.15562 0.03460 0.05661 98 6PX -0.37044 0.59884 -0.00097 0.23380 -0.30537 99 6PY 0.02247 0.18125 -0.21709 -0.13522 -0.42035 100 6PZ -0.04748 0.10333 0.50614 0.58533 0.55096 101 7D 0 -0.01214 -0.01778 -0.02434 -0.01130 -0.04712 102 7D+1 0.02174 -0.03037 -0.01323 0.00851 -0.00230 103 7D-1 -0.00437 0.01435 0.00921 0.01902 0.01166 104 7D+2 0.01452 -0.01041 -0.00803 -0.03151 0.04603 105 7D-2 0.00873 -0.00484 0.01003 -0.00432 0.00701 106 8D 0 -0.00239 -0.00754 -0.00224 -0.00241 -0.01493 107 8D+1 0.00195 -0.00643 -0.00523 -0.00188 0.00142 108 8D-1 0.00116 0.00631 0.00147 0.00325 0.00420 109 8D+2 0.00251 -0.00161 -0.00277 -0.00585 0.01216 110 8D-2 0.00161 0.00034 0.00361 0.00070 0.00129 111 6 Cu 1S 0.00002 0.00140 0.00242 -0.00206 -0.00090 112 2S -0.01972 -0.04242 -0.01980 0.00683 0.04736 113 3S 0.07837 -0.05874 -0.33270 0.34198 0.40147 114 4PX -0.00860 0.00858 0.00035 -0.02588 -0.01745 115 4PY 0.00138 0.01551 -0.02268 -0.00230 0.00434 116 4PZ 0.04088 -0.00468 -0.02144 -0.00309 0.00372 117 5PX 0.02883 -0.07223 -0.03136 0.14758 0.04442 118 5PY -0.02090 -0.03785 0.13124 0.01267 -0.06412 119 5PZ -0.17575 0.04504 0.05535 0.01560 -0.00098 120 6PX 0.02469 -0.43169 -0.31700 0.32565 0.21320 121 6PY 0.02129 0.58187 0.57951 -0.06663 -0.25860 122 6PZ -0.49361 0.25345 -0.28373 -0.46003 0.17466 123 7D 0 -0.02280 0.04204 0.01366 -0.00441 0.01815 124 7D+1 -0.01001 0.03172 -0.00247 -0.00329 -0.01305 125 7D-1 -0.00397 0.02476 0.00958 0.02255 -0.02875 126 7D+2 -0.01207 -0.00764 0.00588 0.00437 -0.03341 127 7D-2 0.02167 0.03918 0.03043 -0.01018 -0.00018 128 8D 0 -0.00416 0.01120 0.00261 -0.00055 0.00572 129 8D+1 0.00004 0.00623 -0.00368 0.00020 -0.00016 130 8D-1 -0.00232 0.00566 0.00325 0.00569 -0.00639 131 8D+2 -0.00495 -0.00053 0.00204 0.00028 -0.01069 132 8D-2 0.00588 0.01226 0.00755 -0.00208 0.00066 133 7 Cu 1S -0.00218 0.00099 -0.00487 0.00020 0.00079 134 2S -0.05523 0.05115 -0.03633 0.03533 -0.13501 135 3S 0.00215 0.93963 0.25498 0.75574 -1.79146 136 4PX -0.02581 -0.00427 -0.02437 0.00248 -0.00792 137 4PY 0.00177 -0.01583 -0.00283 -0.01125 0.00168 138 4PZ -0.01246 0.01384 0.01946 -0.02692 0.03528 139 5PX 0.09416 0.00127 0.14572 0.02236 -0.08506 140 5PY -0.06405 0.07718 0.03705 0.08897 -0.06399 141 5PZ 0.04224 -0.03871 -0.12518 0.13278 -0.10953 142 6PX -0.02271 -0.41453 0.26721 -0.21996 -0.45582 143 6PY -0.37723 0.29119 -0.03579 0.21034 -0.62191 144 6PZ 0.06734 0.56141 -0.55572 0.89020 -0.54939 145 7D 0 -0.01424 0.02503 -0.04413 -0.01245 0.02663 146 7D+1 -0.00809 0.04706 -0.00270 0.02629 0.00375 147 7D-1 0.02361 0.00594 -0.05607 0.01069 0.01651 148 7D+2 -0.00572 -0.02258 0.01709 0.00037 0.00140 149 7D-2 -0.02503 -0.01569 -0.00978 -0.00593 -0.01121 150 8D 0 -0.00241 0.00572 -0.01036 0.00090 0.00944 151 8D+1 -0.00296 0.01186 -0.00041 0.00616 0.00668 152 8D-1 0.00982 0.00143 -0.01680 0.00085 0.00679 153 8D+2 -0.00268 -0.00587 0.00545 0.00418 -0.00218 154 8D-2 -0.00855 -0.00731 -0.00435 -0.00055 -0.00237 155 8 Cu 1S 0.00320 -0.00183 -0.00210 -0.00162 0.00097 156 2S 0.03222 -0.12325 -0.00986 -0.08087 0.03794 157 3S 0.17154 -0.39959 -0.04381 -0.56353 -0.02964 158 4PX -0.00563 -0.01320 0.02264 0.00843 -0.00198 159 4PY 0.01304 0.01466 0.03212 0.00353 -0.01588 160 4PZ -0.02713 0.00426 0.00158 0.02904 0.01009 161 5PX -0.00013 0.05011 -0.12474 -0.02085 -0.00883 162 5PY -0.05675 -0.05337 -0.18328 -0.01131 0.09069 163 5PZ 0.14109 -0.00453 -0.05227 -0.11349 0.02081 164 6PX -0.29602 0.28006 -0.67744 -0.16730 -0.17622 165 6PY -0.09416 0.29676 -0.77668 0.28697 -0.19525 166 6PZ 0.41299 0.57502 -0.08026 0.16489 0.34179 167 7D 0 -0.02830 -0.00070 -0.00528 -0.01322 -0.04839 168 7D+1 0.02522 0.00456 0.00004 0.00986 0.00563 169 7D-1 -0.01092 -0.03889 0.03611 0.00298 -0.01611 170 7D+2 0.02852 -0.00897 -0.00249 0.00623 -0.00989 171 7D-2 -0.00386 0.00581 0.02792 -0.02854 0.02316 172 8D 0 -0.00505 -0.00199 0.00269 -0.00483 -0.01378 173 8D+1 0.00560 0.00211 -0.00098 -0.00123 0.00287 174 8D-1 -0.00490 -0.01213 0.00850 -0.00269 -0.00647 175 8D+2 0.00720 0.00049 0.00070 0.00152 -0.00269 176 8D-2 -0.00004 0.00332 0.00360 -0.00516 0.00543 177 9 C 1S 0.01305 -0.00581 -0.00333 0.00270 -0.00047 178 2S -0.04875 0.01272 0.01271 0.01260 0.01408 179 3S -0.11894 0.00660 -0.00508 -0.03477 0.00236 180 4PX -0.06865 0.04022 0.14624 -0.11510 0.04742 181 4PY -0.08247 -0.00325 0.02454 -0.00975 0.04328 182 4PZ 0.01194 0.03191 0.09075 0.09809 -0.04346 183 5PX -0.06715 0.02415 0.09100 -0.05790 0.05989 184 5PY 0.00375 0.00474 0.00665 -0.10012 -0.03482 185 5PZ 0.02422 0.01291 0.07196 0.05480 -0.04724 186 10 O 1S 0.02348 0.01654 0.00309 -0.02064 -0.01443 187 2S -0.06866 -0.04684 -0.00855 0.06272 0.04394 188 3S -0.11511 -0.09159 -0.01697 0.09305 0.06320 189 4PX 0.03051 -0.01651 -0.06147 0.02937 -0.00325 190 4PY 0.02772 -0.00826 -0.01115 0.00652 -0.01121 191 4PZ -0.00253 -0.00596 -0.03582 -0.02457 0.01846 192 5PX 0.02526 -0.01808 -0.05761 0.04189 -0.01606 193 5PY 0.05088 0.01329 -0.00226 -0.00793 -0.02808 194 5PZ -0.00372 -0.00555 -0.03555 -0.03590 0.01767 101 102 103 104 105 V V V V V EIGENVALUES -- 0.04058 0.04143 0.04411 0.04890 0.05361 1 1 Cu 1S -0.00301 0.00011 -0.00047 0.00212 0.00045 2 2S -0.04509 0.00343 -0.06857 -0.00676 -0.03981 3 3S -0.27098 -0.27082 -0.98654 -0.28730 -0.63255 4 4PX 0.00932 -0.00189 -0.01884 -0.02321 -0.01396 5 4PY 0.01200 -0.00942 0.01507 0.00756 0.00963 6 4PZ -0.00786 -0.00550 0.01835 -0.01043 0.03599 7 5PX -0.01237 0.02675 0.14703 0.17714 0.10861 8 5PY -0.09976 0.07221 -0.05432 -0.03412 -0.02734 9 5PZ 0.01300 0.04187 -0.12253 0.07350 -0.32974 10 6PX -1.50034 -0.45640 0.57300 1.16200 1.18453 11 6PY 0.62846 1.14840 -0.55769 0.36502 0.08283 12 6PZ 2.74109 1.15516 -0.27009 0.48164 0.16615 13 7D 0 -0.01295 -0.00830 0.01407 0.00674 0.01808 14 7D+1 -0.01736 -0.06159 -0.01535 -0.00090 -0.00556 15 7D-1 -0.03829 0.01050 0.02318 -0.02114 -0.02295 16 7D+2 0.02193 0.00435 0.00029 0.01231 0.02946 17 7D-2 0.00484 0.01020 0.03317 -0.03158 -0.00442 18 8D 0 -0.00307 -0.00421 0.00388 0.00237 0.00162 19 8D+1 -0.00331 -0.02320 0.00018 -0.00131 0.00234 20 8D-1 -0.01493 0.00256 0.00494 -0.00506 -0.00324 21 8D+2 0.00601 0.00215 0.00008 0.00269 0.00513 22 8D-2 -0.00055 0.00282 0.01114 -0.00426 0.00168 23 2 Cu 1S 0.00290 -0.00010 0.00166 0.00195 0.00191 24 2S 0.09503 -0.01356 0.07605 0.06382 0.07951 25 3S 0.95396 0.18015 0.23364 0.23771 0.55175 26 4PX 0.00683 0.00131 -0.00591 0.01085 -0.01862 27 4PY -0.00884 0.00634 -0.00945 -0.00769 -0.01965 28 4PZ 0.01229 -0.00217 -0.00364 -0.00684 0.02422 29 5PX -0.03270 -0.01897 0.03918 -0.03009 0.06793 30 5PY 0.05168 -0.04084 0.14161 0.09469 0.18522 31 5PZ -0.03560 0.03053 0.01108 0.05804 -0.16481 32 6PX 0.93192 0.28320 -0.62303 -0.99228 1.03968 33 6PY 0.37506 0.48913 -0.34521 -0.32950 -0.30769 34 6PZ -0.28139 -0.35975 -0.49615 0.11128 -0.89632 35 7D 0 0.01030 -0.00804 0.00303 -0.02195 -0.00856 36 7D+1 -0.00284 -0.03573 -0.00453 0.00296 -0.02826 37 7D-1 0.01280 -0.00473 0.00429 0.00488 0.03164 38 7D+2 -0.01663 -0.00066 -0.02092 -0.00068 0.00327 39 7D-2 -0.00237 0.00496 -0.02771 0.00079 -0.01450 40 8D 0 0.00155 -0.00461 -0.00116 -0.00195 0.00008 41 8D+1 -0.00275 -0.01322 -0.00007 -0.00056 -0.00455 42 8D-1 0.00567 0.00078 0.00048 0.00002 0.00548 43 8D+2 -0.00386 0.00000 -0.00306 -0.00147 0.00017 44 8D-2 -0.00159 0.00049 -0.00533 0.00033 -0.00467 45 3 Cu 1S -0.00217 -0.00123 -0.00149 -0.00112 0.00014 46 2S -0.03667 -0.10973 -0.03734 -0.04724 -0.04155 47 3S -0.00925 -0.94058 -0.40787 -0.31485 -0.73598 48 4PX 0.01895 0.01312 0.00743 0.01271 0.01419 49 4PY 0.01387 0.00263 -0.00524 -0.00053 0.01590 50 4PZ 0.00147 0.00618 -0.01731 -0.00327 -0.03912 51 5PX -0.07097 0.00614 -0.03655 -0.05336 -0.03041 52 5PY -0.06733 0.00704 0.05317 -0.00121 -0.08206 53 5PZ -0.03469 -0.03636 0.08277 0.02137 0.16052 54 6PX 0.74120 0.86164 -0.29557 0.30349 -0.89414 55 6PY 1.11221 -0.03133 0.19665 -0.03735 0.53715 56 6PZ 0.08820 -0.42339 -0.14675 -0.16865 -1.12606 57 7D 0 0.00341 0.01538 -0.01611 -0.00621 -0.01366 58 7D+1 0.00688 0.01116 -0.01097 -0.00617 0.01756 59 7D-1 0.04386 -0.00929 0.01240 0.00074 0.01221 60 7D+2 -0.01214 -0.02796 0.01946 -0.01001 0.04087 61 7D-2 0.00016 0.00352 -0.00496 -0.03038 -0.00618 62 8D 0 -0.00082 0.00413 -0.00431 -0.00183 -0.00619 63 8D+1 0.00541 0.00621 -0.00018 -0.00001 0.00819 64 8D-1 0.00689 -0.00166 0.00296 0.00147 0.00190 65 8D+2 -0.00353 -0.00886 0.00352 -0.00399 0.00595 66 8D-2 -0.00139 0.00025 -0.00272 -0.00451 -0.00143 67 4 Cu 1S -0.00297 -0.00063 -0.00099 -0.00049 -0.00101 68 2S 0.00885 0.16308 -0.10203 0.03137 -0.02866 69 3S 0.60496 2.28676 -1.08730 0.79614 -0.47735 70 4PX -0.02258 -0.00027 -0.01068 -0.00489 -0.00890 71 4PY 0.00180 -0.00465 -0.00334 0.00866 0.00706 72 4PZ -0.00080 0.01177 0.00165 0.01811 -0.02404 73 5PX 0.11267 0.07908 0.07540 0.06772 0.06135 74 5PY 0.01000 0.02998 -0.02323 -0.06684 -0.04701 75 5PZ 0.04611 0.09574 -0.05888 -0.04750 0.04752 76 6PX 1.31072 1.26762 -0.14299 0.61332 -0.57526 77 6PY 0.53261 0.14508 0.11448 0.50618 -0.55234 78 6PZ -0.78007 0.52016 -0.22716 -0.29603 1.12503 79 7D 0 -0.00134 0.02245 0.01575 0.00206 0.02549 80 7D+1 -0.00382 0.00342 0.00801 -0.00431 0.00922 81 7D-1 0.04176 -0.00502 0.00335 -0.00110 -0.00616 82 7D+2 0.00193 0.02593 0.02837 -0.00269 -0.02554 83 7D-2 0.02202 0.00083 0.01389 0.04333 0.01676 84 8D 0 0.00274 0.01345 0.00218 0.00385 0.00255 85 8D+1 -0.00275 0.00159 0.00139 0.00016 -0.00011 86 8D-1 0.00723 -0.00033 -0.00184 0.00049 -0.00096 87 8D+2 -0.00038 0.00930 0.00348 0.00095 -0.00548 88 8D-2 0.00474 -0.00061 0.00634 0.00845 0.00445 89 5 Cu 1S 0.00012 -0.00014 -0.00187 -0.00034 -0.00121 90 2S -0.13001 0.10988 -0.01275 -0.06917 0.02657 91 3S -1.58140 1.43349 0.15843 -1.04608 1.07427 92 4PX -0.00938 -0.01968 -0.01650 0.02351 -0.01644 93 4PY -0.01818 -0.00453 -0.00488 0.00653 0.01623 94 4PZ 0.01077 -0.00268 0.00694 0.01979 -0.02624 95 5PX 0.08742 -0.01050 0.06878 -0.10453 0.06924 96 5PY 0.04526 0.06090 0.04917 -0.03926 -0.06879 97 5PZ -0.01313 -0.06679 -0.07516 -0.08821 0.03084 98 6PX 0.64493 -0.28574 0.45892 -0.61874 -1.28293 99 6PY -0.42089 0.26374 0.66148 -0.83188 -1.17571 100 6PZ 0.06990 -0.83574 -0.58017 0.04709 -0.09425 101 7D 0 0.01464 0.00212 -0.00938 -0.00262 -0.02202 102 7D+1 -0.00757 0.02707 0.01159 0.01067 0.03150 103 7D-1 -0.02096 -0.00241 -0.04776 0.00645 -0.01072 104 7D+2 0.00982 0.01337 -0.02390 0.03184 0.01407 105 7D-2 0.01459 -0.01111 -0.01759 -0.02480 0.02249 106 8D 0 0.00005 0.00203 -0.00272 -0.00234 -0.00057 107 8D+1 -0.00396 0.01337 0.00447 0.00078 0.00823 108 8D-1 -0.00374 -0.00250 -0.01173 -0.00136 -0.00682 109 8D+2 0.00332 0.00651 -0.00370 0.00466 0.00023 110 8D-2 0.00513 -0.00541 -0.00476 -0.00365 0.00250 111 6 Cu 1S 0.00095 0.00036 -0.00008 0.00081 0.00009 112 2S -0.05803 -0.00028 0.16688 0.08803 -0.02122 113 3S -0.83067 0.02809 2.21876 1.35350 -0.38355 114 4PX -0.00421 -0.00472 0.01523 0.04397 0.01780 115 4PY -0.01084 -0.01220 -0.02536 -0.00499 0.02096 116 4PZ 0.00062 0.01814 0.00913 -0.00491 0.00160 117 5PX -0.01684 0.04019 0.02823 -0.16546 -0.07760 118 5PY 0.06143 0.03512 0.01795 -0.03788 -0.14674 119 5PZ -0.02944 0.00356 -0.04146 0.05113 -0.04365 120 6PX -0.49266 -0.04840 1.40255 -0.83457 0.77087 121 6PY -0.01369 -0.36453 0.03302 -1.01867 0.19956 122 6PZ -0.82524 0.01467 0.03942 0.44274 -0.66166 123 7D 0 -0.01998 -0.00876 -0.02646 -0.00893 0.00694 124 7D+1 -0.01775 0.02600 0.02153 -0.00866 0.00989 125 7D-1 0.00942 -0.03704 0.02616 -0.01283 0.01195 126 7D+2 -0.00354 -0.01000 0.01874 -0.03679 0.01599 127 7D-2 0.00446 -0.00246 -0.01189 0.00765 -0.03650 128 8D 0 -0.00554 -0.00307 -0.00633 -0.00398 -0.00148 129 8D+1 -0.00688 0.00876 0.00695 0.00007 0.00138 130 8D-1 -0.00042 -0.01385 0.00589 -0.00144 0.00233 131 8D+2 -0.00089 -0.00309 0.00258 -0.00528 0.00505 132 8D-2 0.00245 -0.00195 -0.01047 -0.00347 -0.00793 133 7 Cu 1S 0.00212 0.00102 0.00099 -0.00209 -0.00122 134 2S -0.00254 -0.14073 -0.00412 -0.07036 -0.02606 135 3S 0.15656 -2.21305 -0.02276 -0.87144 -0.11791 136 4PX 0.00432 0.00665 0.01165 -0.02370 0.03119 137 4PY 0.01385 0.01544 0.01861 0.00542 -0.01654 138 4PZ 0.00464 0.00381 -0.00631 -0.00868 0.01347 139 5PX -0.00814 -0.16112 -0.03204 0.14242 -0.14914 140 5PY -0.06725 -0.12783 -0.14718 -0.06733 0.07622 141 5PZ 0.02862 0.08112 -0.00552 0.08361 -0.14225 142 6PX -0.79063 -0.72153 -0.27005 0.73425 -0.80306 143 6PY -1.35799 -1.09121 -0.28052 0.47406 1.55628 144 6PZ -0.56064 0.10649 0.19894 0.30386 -0.18513 145 7D 0 0.00903 -0.02208 0.02027 0.00642 -0.02497 146 7D+1 0.04483 0.00199 0.01910 0.00285 0.00359 147 7D-1 -0.02106 0.01055 -0.01409 0.00672 -0.00003 148 7D+2 0.00572 -0.01401 0.01399 0.00745 -0.02974 149 7D-2 -0.02134 -0.00874 0.01603 0.04986 0.02786 150 8D 0 -0.00227 -0.01014 0.00838 -0.00046 -0.00372 151 8D+1 0.01382 -0.00146 0.00149 0.00193 -0.00150 152 8D-1 -0.00582 0.00680 -0.00069 0.00144 -0.00120 153 8D+2 0.00184 -0.00745 0.00337 0.00205 -0.00553 154 8D-2 -0.00463 -0.00090 0.00738 0.01219 0.00833 155 8 Cu 1S 0.00225 0.00018 -0.00079 0.00033 0.00077 156 2S 0.16106 -0.02748 -0.03729 0.01592 0.03531 157 3S 1.25967 -0.71881 -0.35058 0.12251 0.76701 158 4PX -0.00602 -0.01018 0.01797 -0.01262 0.00073 159 4PY -0.00251 -0.00284 0.00089 -0.00447 -0.01662 160 4PZ -0.01232 -0.00128 -0.02619 -0.00383 -0.02974 161 5PX 0.01445 0.03210 -0.04609 0.09904 0.01243 162 5PY -0.05469 0.03643 -0.02491 0.00070 0.04627 163 5PZ 0.01663 0.01904 0.13678 0.02371 0.05980 164 6PX -0.51672 -0.93151 0.04147 0.85069 0.48009 165 6PY -1.13321 -0.26988 -0.71927 -0.07092 -0.17952 166 6PZ -0.36734 0.16416 0.65849 -0.14056 -0.39977 167 7D 0 -0.00299 -0.00458 -0.01126 0.01621 0.01240 168 7D+1 -0.00012 0.02460 -0.03419 -0.00085 -0.00423 169 7D-1 0.00390 0.01724 0.02104 -0.00519 0.02569 170 7D+2 -0.01678 -0.00783 -0.02949 -0.02924 0.00253 171 7D-2 -0.00448 0.03632 0.01033 -0.02148 -0.02953 172 8D 0 0.00369 -0.00130 -0.00074 0.00353 0.00770 173 8D+1 0.00285 0.00309 -0.01172 -0.00222 -0.00437 174 8D-1 0.00539 0.00510 0.00731 0.00031 0.00994 175 8D+2 -0.00431 -0.00215 -0.00710 -0.00559 -0.00134 176 8D-2 -0.00388 0.01149 0.00252 -0.00366 -0.00733 177 9 C 1S 0.00887 -0.00126 0.01040 0.00532 0.01158 178 2S -0.01610 0.00458 -0.02878 -0.01908 -0.02662 179 3S -0.08906 0.01633 -0.07648 -0.01253 -0.12618 180 4PX -0.03813 -0.00270 0.07317 0.09052 -0.08604 181 4PY -0.01123 0.00533 -0.01421 0.01163 -0.06032 182 4PZ -0.05220 0.01600 0.02893 -0.05865 0.06828 183 5PX -0.03439 0.00572 0.01917 0.05267 -0.08990 184 5PY 0.00570 -0.01815 0.04607 0.04711 0.01950 185 5PZ -0.03603 0.00002 0.04053 -0.04299 0.08768 186 10 O 1S -0.00526 -0.00340 0.00083 0.00199 0.00451 187 2S 0.01408 0.01063 -0.00485 -0.00650 -0.01568 188 3S 0.03884 0.01195 0.01405 -0.00448 -0.00107 189 4PX -0.01024 -0.00688 -0.00152 -0.01840 0.01419 190 4PY 0.01342 -0.00807 0.01740 0.00607 0.03242 191 4PZ -0.00864 0.00980 0.01206 0.00725 -0.01418 192 5PX 0.00511 -0.00210 -0.01510 -0.02448 0.02580 193 5PY 0.01012 -0.00960 0.01536 -0.00386 0.04169 194 5PZ 0.01344 0.00131 -0.00604 0.01946 -0.02737 106 107 108 109 110 V V V V V EIGENVALUES -- 0.05578 0.05684 0.06340 0.07223 0.07683 1 1 Cu 1S 0.00284 0.00163 0.00030 -0.00006 0.00091 2 2S 0.06778 0.05814 -0.05384 0.04317 0.02741 3 3S 0.67503 0.63368 -0.83703 0.71095 0.38163 4 4PX -0.02398 -0.04601 0.01279 -0.03202 0.01284 5 4PY -0.03367 -0.00566 -0.02725 0.01191 -0.02699 6 4PZ 0.04250 -0.03094 -0.05220 -0.01582 0.01579 7 5PX 0.14724 0.21678 -0.06108 0.21488 -0.09766 8 5PY 0.08125 0.01098 0.20802 -0.12488 0.15647 9 5PZ -0.30341 0.17968 0.38708 0.13518 -0.10614 10 6PX -0.62682 2.94474 -1.62002 -1.65265 -1.82133 11 6PY 2.09048 -1.46107 3.97676 -1.31587 2.17741 12 6PZ -1.95853 1.91996 2.83990 -0.90801 2.75443 13 7D 0 0.00094 0.01095 0.01685 -0.02537 0.00118 14 7D+1 -0.00841 -0.00493 0.00687 0.01426 -0.01081 15 7D-1 0.00187 -0.00058 0.02994 0.00824 -0.02971 16 7D+2 0.01732 -0.02000 0.03006 0.02932 -0.02263 17 7D-2 -0.01604 0.00019 -0.00377 0.00844 0.00346 18 8D 0 -0.00009 0.00325 0.00338 -0.00095 -0.00088 19 8D+1 0.00269 -0.00164 -0.00112 -0.00129 -0.00244 20 8D-1 0.00280 -0.00151 -0.00074 0.00265 -0.00578 21 8D+2 0.00053 -0.00532 0.00795 0.00187 -0.00529 22 8D-2 -0.00512 -0.00275 -0.00037 -0.00126 0.00045 23 2 Cu 1S 0.00138 -0.00149 0.00252 0.00030 0.00006 24 2S -0.00539 -0.04728 0.06799 0.00645 -0.04438 25 3S -0.14332 -0.63808 0.53502 -0.14650 -0.45773 26 4PX 0.02372 -0.00621 0.01284 0.00154 -0.00022 27 4PY 0.01611 0.00522 0.01126 -0.00639 0.01166 28 4PZ -0.01317 -0.00037 -0.02247 -0.00622 0.03837 29 5PX -0.06146 0.07581 -0.12258 -0.01282 -0.00643 30 5PY -0.22614 -0.07303 0.00877 0.00331 -0.14756 31 5PZ -0.01927 0.02106 0.20065 0.02821 -0.29414 32 6PX 0.31210 0.09929 1.59298 3.73316 1.18206 33 6PY 0.88695 -0.14579 0.72769 -0.47850 0.80990 34 6PZ 0.37140 0.06674 -1.19708 1.63719 3.69735 35 7D 0 0.00373 0.02591 -0.04657 0.01389 -0.00344 36 7D+1 0.01391 -0.00136 -0.00674 -0.00045 -0.01077 37 7D-1 0.01084 -0.01395 -0.01773 -0.01803 0.03523 38 7D+2 -0.02245 -0.01253 -0.05111 0.01225 -0.01491 39 7D-2 0.00213 -0.01862 -0.00393 -0.00857 0.00036 40 8D 0 0.00137 0.00605 -0.01126 0.00182 -0.00141 41 8D+1 0.00251 0.00018 0.00126 0.00016 -0.00070 42 8D-1 0.00185 -0.00269 -0.00149 -0.00526 0.00901 43 8D+2 -0.00741 -0.00395 -0.01261 0.00506 -0.00468 44 8D-2 -0.00066 -0.00328 -0.00266 -0.00072 -0.00187 45 3 Cu 1S -0.00200 -0.00123 -0.00208 0.00120 -0.00130 46 2S -0.04031 -0.00939 0.02122 -0.02220 0.00530 47 3S -0.93242 -0.00437 1.52487 -0.62466 0.53368 48 4PX 0.01036 -0.03041 -0.01778 0.01220 0.01173 49 4PY -0.03281 0.00140 0.01720 -0.01819 0.01842 50 4PZ -0.01424 0.00151 0.05401 -0.00635 -0.01185 51 5PX -0.02717 0.18632 0.03250 -0.03999 -0.08088 52 5PY 0.19822 -0.01335 -0.07994 0.10174 -0.12903 53 5PZ 0.01012 0.01459 -0.17568 -0.00317 0.07938 54 6PX -0.11426 -1.33679 -0.46910 -0.05659 1.21092 55 6PY -1.84028 -0.15658 1.09650 0.97562 0.33964 56 6PZ -0.38044 -0.88071 0.94033 -0.19090 0.55523 57 7D 0 -0.00377 -0.03603 0.02092 -0.00935 0.00555 58 7D+1 0.00345 -0.02993 -0.01924 -0.01569 0.00070 59 7D-1 -0.05437 -0.01269 0.01448 0.01869 -0.00712 60 7D+2 0.01523 0.01391 0.02845 -0.01199 -0.00646 61 7D-2 0.02182 -0.00703 -0.01168 -0.00256 -0.00950 62 8D 0 -0.00302 -0.00540 0.00909 -0.00236 0.00176 63 8D+1 0.00325 -0.00677 -0.01041 -0.00090 0.00168 64 8D-1 -0.01313 -0.00223 0.00602 -0.00071 0.00036 65 8D+2 0.00273 0.00412 0.00262 -0.00468 0.00192 66 8D-2 0.00454 -0.00134 -0.00332 -0.00174 -0.00119 67 4 Cu 1S -0.00121 -0.00123 -0.00276 -0.00169 -0.00146 68 2S -0.03811 0.03271 -0.04780 0.01136 -0.03173 69 3S -0.88661 0.50144 -0.04106 0.63930 -0.26793 70 4PX -0.00797 0.04590 0.02229 -0.00129 -0.02269 71 4PY 0.00039 0.01905 0.01969 0.02288 0.01059 72 4PZ -0.00081 -0.00039 0.00642 0.04170 -0.01833 73 5PX 0.04382 -0.23353 -0.11922 0.04876 0.10081 74 5PY -0.00373 -0.11199 -0.09427 -0.16610 -0.07184 75 5PZ -0.07754 0.01063 0.05728 -0.22011 0.08549 76 6PX -0.39525 0.42470 1.36055 0.14026 3.35588 77 6PY 0.47375 0.95623 -1.28914 -1.00387 -3.00056 78 6PZ 0.02102 0.77576 0.25477 -0.40618 -2.90401 79 7D 0 0.01292 -0.01748 -0.00265 0.00015 -0.00297 80 7D+1 0.00052 0.02378 0.01945 -0.00855 0.02237 81 7D-1 0.02690 0.02020 -0.00122 0.01705 -0.03626 82 7D+2 0.00853 0.00485 0.02977 -0.01716 0.01243 83 7D-2 -0.02849 0.00731 0.01976 -0.01342 -0.00279 84 8D 0 -0.00048 -0.00317 -0.00004 0.00199 0.00079 85 8D+1 -0.00135 0.00443 0.00657 -0.00263 0.00459 86 8D-1 0.00658 0.00405 0.00289 0.00413 -0.00651 87 8D+2 0.00289 0.00136 0.00593 -0.00074 0.00035 88 8D-2 -0.00938 -0.00027 0.00658 -0.00148 0.00031 89 5 Cu 1S -0.00207 -0.00022 -0.00057 0.00182 -0.00126 90 2S -0.04307 -0.06630 -0.00756 0.00333 -0.00098 91 3S -0.37144 -1.32228 -0.04573 -0.54481 -0.25609 92 4PX -0.00030 -0.02316 0.00775 0.02147 -0.01185 93 4PY 0.02962 -0.02540 0.00219 -0.01990 -0.00467 94 4PZ -0.01811 0.01519 0.03396 0.01791 -0.04341 95 5PX 0.03445 0.19913 -0.03247 -0.07841 0.04021 96 5PY -0.19098 0.12743 -0.00364 0.07885 0.06223 97 5PZ 0.08911 -0.02617 -0.16669 -0.03633 0.22465 98 6PX 0.81585 -1.32996 0.26006 -1.76927 -1.62968 99 6PY 0.47379 -0.90630 -1.42776 2.08564 -0.27342 100 6PZ -0.21427 0.89690 -0.89730 1.95818 -1.53900 101 7D 0 0.01129 -0.00352 0.01148 -0.02509 0.03075 102 7D+1 -0.00555 0.02794 -0.00895 0.00860 0.01480 103 7D-1 -0.02481 0.03179 -0.00954 -0.00166 0.00778 104 7D+2 -0.00361 0.01641 0.02032 -0.00115 0.01606 105 7D-2 -0.02684 -0.01416 0.01499 -0.01877 0.00874 106 8D 0 0.00436 -0.00105 -0.00042 -0.00383 0.00925 107 8D+1 -0.00213 0.00150 -0.00439 -0.00211 0.00350 108 8D-1 -0.00432 0.00699 -0.00035 0.00535 0.00295 109 8D+2 -0.00284 0.00336 0.00558 -0.00236 0.00104 110 8D-2 -0.00548 -0.00151 -0.00019 -0.00485 0.00068 111 6 Cu 1S -0.00120 -0.00119 0.00124 -0.00087 0.00237 112 2S -0.05268 -0.02648 0.02812 0.04420 0.07366 113 3S -0.78464 -0.20755 0.19441 0.93704 1.19037 114 4PX 0.00454 0.02259 -0.01155 0.03083 -0.00908 115 4PY -0.02220 0.00331 -0.00955 -0.04405 0.00700 116 4PZ 0.01095 0.00489 0.00643 -0.01572 0.00266 117 5PX -0.03570 -0.14813 0.09682 -0.13346 0.05657 118 5PY 0.15153 0.00233 0.05461 0.20702 -0.02908 119 5PZ -0.12108 -0.01436 0.00598 0.12215 -0.01066 120 6PX -1.13953 1.14899 -0.59447 0.29031 -0.94296 121 6PY -0.60879 1.10134 -0.92916 0.03562 0.36720 122 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-0.03921 0.04087 -0.01152 0.02350 25 3S 0.46083 -0.44118 1.10861 0.04511 0.63951 26 4PX 0.01864 -0.01185 -0.00958 0.01138 0.02001 27 4PY -0.00031 0.00390 -0.00416 -0.00279 -0.00031 28 4PZ 0.02366 0.02607 0.01375 0.03510 0.00044 29 5PX -0.17605 0.14386 0.08414 -0.10424 -0.12884 30 5PY 0.06692 -0.15945 0.05500 0.05039 -0.02466 31 5PZ -0.11582 -0.18047 -0.08031 -0.19298 -0.00454 32 6PX 2.07932 -0.40393 -3.48556 2.66396 -1.44787 33 6PY -0.14048 0.79157 -1.76350 0.31227 -2.23262 34 6PZ -3.11796 -4.66487 4.26091 -0.46901 0.10636 35 7D 0 -0.00068 -0.01381 -0.02448 0.00403 0.00130 36 7D+1 0.01198 -0.01219 0.00735 0.01312 -0.00477 37 7D-1 0.02283 0.00854 0.01730 0.02086 0.00294 38 7D+2 -0.02681 0.01134 0.00448 0.00640 -0.00814 39 7D-2 0.00582 -0.01683 -0.01782 0.00464 0.01200 40 8D 0 -0.00111 -0.00261 -0.00708 0.00179 0.00183 41 8D+1 -0.00003 -0.00116 -0.00009 0.00264 0.00173 42 8D-1 0.00567 0.00555 0.00397 0.00641 0.00039 43 8D+2 -0.00558 0.00005 -0.00481 0.00267 -0.00532 44 8D-2 0.00205 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-0.00879 -0.01441 27 4PY -0.00611 -0.00104 -0.00410 -0.00433 -0.00678 28 4PZ 0.00544 0.02251 -0.01215 -0.01576 -0.02114 29 5PX -0.19947 0.25246 0.38800 0.04451 0.11943 30 5PY 0.04137 -0.01823 0.09352 0.00952 0.02064 31 5PZ -0.03108 -0.11792 0.09369 0.14595 0.12074 32 6PX 0.01919 -1.10295 2.49360 -0.35321 1.56700 33 6PY -0.03884 1.30634 -1.51294 1.13898 1.43972 34 6PZ 2.28270 -4.22845 4.67562 -8.27452 0.15480 35 7D 0 0.02653 -0.01120 -0.03243 -0.00939 0.00501 36 7D+1 0.03357 0.02920 0.02125 0.01503 -0.02108 37 7D-1 -0.01352 0.02040 0.01173 -0.00736 -0.01801 38 7D+2 0.01970 -0.02266 -0.01483 0.03709 0.03285 39 7D-2 0.02425 -0.03749 -0.03520 0.01894 0.00490 40 8D 0 0.00929 -0.00405 -0.01384 0.00031 0.00107 41 8D+1 0.00918 0.00451 0.00568 0.00360 -0.00725 42 8D-1 -0.00494 0.00768 0.00064 -0.00069 -0.00514 43 8D+2 0.00612 -0.00800 -0.00190 0.00966 0.00972 44 8D-2 0.00673 -0.01157 -0.01148 0.00475 -0.00099 45 3 Cu 1S 0.00036 -0.00004 -0.00094 0.00116 -0.00033 46 2S 0.03026 -0.02447 -0.00583 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0.00168 67 4 Cu 1S -0.00207 -0.00037 -0.00171 0.00055 -0.00153 68 2S -0.07367 0.00614 -0.01170 0.00290 -0.02871 69 3S -1.31229 0.21678 0.19157 0.77229 -0.28443 70 4PX -0.01318 0.03556 0.00960 -0.02740 -0.01819 71 4PY -0.01537 -0.01887 -0.05591 -0.03805 -0.01494 72 4PZ -0.02970 0.00492 0.01873 0.00491 -0.00103 73 5PX 0.04284 -0.20947 -0.07001 0.19911 0.09472 74 5PY 0.10431 0.10182 0.41683 0.28410 0.13576 75 5PZ 0.18978 -0.04284 -0.13452 -0.04560 -0.00885 76 6PX 3.78899 -3.73057 4.76691 -3.22003 0.97002 77 6PY -1.68934 2.98931 -4.87930 4.82627 -2.02472 78 6PZ -3.00933 0.33743 -1.17980 -0.13224 -1.91360 79 7D 0 0.00333 0.01783 0.00365 0.00002 -0.02900 80 7D+1 0.00278 -0.02306 0.01547 0.01633 0.04271 81 7D-1 0.01088 -0.01458 -0.03120 -0.00115 0.00178 82 7D+2 0.01471 0.01779 -0.00087 -0.02965 -0.03303 83 7D-2 0.02998 0.02147 0.00932 -0.01133 -0.00540 84 8D 0 0.00352 0.00359 0.00215 0.00052 -0.00716 85 8D+1 -0.00096 -0.00220 0.00259 0.00517 0.01392 86 8D-1 0.00201 -0.00640 -0.00844 -0.00431 0.00193 87 8D+2 0.00148 0.00515 -0.00149 -0.00587 -0.00994 88 8D-2 0.00821 0.00693 0.00183 -0.00106 -0.00059 89 5 Cu 1S 0.00145 -0.00352 -0.00297 0.00031 0.00109 90 2S 0.01983 -0.03521 -0.04948 -0.00589 0.00346 91 3S 0.15666 -0.13574 -0.84345 -1.01010 -0.48353 92 4PX 0.03524 0.01773 0.00240 0.00834 -0.05530 93 4PY -0.04334 -0.01676 0.02837 0.01455 -0.01460 94 4PZ -0.00213 -0.01117 0.01442 0.01988 0.04053 95 5PX -0.23155 -0.11976 0.00375 -0.05153 0.45284 96 5PY 0.28120 0.12757 -0.23522 -0.09060 0.10742 97 5PZ 0.05661 0.08872 -0.12860 -0.12136 -0.29802 98 6PX 0.01905 2.99304 -1.38004 -1.03180 1.19020 99 6PY 0.35652 -3.01744 5.62225 -8.12441 1.41955 100 6PZ 1.75212 -2.96446 3.99764 -3.05241 -0.04868 101 7D 0 -0.00601 0.01589 -0.01048 0.00990 -0.01062 102 7D+1 -0.02092 0.00538 0.01494 -0.00149 -0.00062 103 7D-1 -0.00780 -0.00703 -0.02379 0.00726 -0.00367 104 7D+2 0.00881 0.01658 -0.00712 -0.00228 0.01092 105 7D-2 -0.00621 0.01225 -0.00760 -0.01663 -0.00185 106 8D 0 0.00002 0.00283 0.00058 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0.00296 0.00030 -0.01245 0.01758 0.01783 127 7D-2 0.00981 -0.00291 -0.01949 0.01678 -0.00143 128 8D 0 0.00478 -0.00088 -0.00242 0.00227 0.00323 129 8D+1 0.00953 0.00169 0.00212 0.00485 0.00359 130 8D-1 -0.00061 0.00073 -0.00472 -0.00225 0.00333 131 8D+2 0.00133 0.00156 -0.00173 -0.00113 0.00944 132 8D-2 0.00286 -0.00107 -0.00195 0.00121 -0.00046 133 7 Cu 1S 0.00232 -0.00172 0.00085 0.00270 0.00217 134 2S 0.03057 -0.00148 0.04518 0.06153 0.04376 135 3S 0.04518 0.32025 0.77355 0.41586 0.41785 136 4PX -0.03068 0.01329 0.02410 -0.00233 0.03045 137 4PY 0.02278 -0.00249 0.00492 0.00903 -0.02187 138 4PZ 0.00992 -0.02005 -0.03403 -0.01591 0.01690 139 5PX 0.20254 -0.08571 -0.13718 0.03454 -0.20381 140 5PY -0.18604 0.02613 -0.03094 -0.07502 0.16704 141 5PZ -0.04657 0.11009 0.20508 0.10413 -0.13279 142 6PX -1.85276 2.47020 0.52436 -1.75297 3.17844 143 6PY 0.70341 -2.26840 -0.19268 -0.21154 -3.75923 144 6PZ -1.78547 1.50298 -1.63594 -4.45566 0.70294 145 7D 0 -0.00417 -0.01520 0.01458 0.01198 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0.03396 -0.09456 -0.00129 -0.28885 10 6PX -7.12951 -2.12917 -2.52575 -2.10158 0.90955 11 6PY 7.74373 4.55095 1.23342 -2.49027 0.10196 12 6PZ 15.97889 4.83822 9.75678 -1.50014 1.02996 13 7D 0 0.02511 0.00823 -0.01249 0.07399 0.00240 14 7D+1 0.05307 -0.01738 -0.01265 -0.04939 0.02447 15 7D-1 -0.00896 0.03158 0.03464 0.06491 0.01843 16 7D+2 -0.00072 -0.01472 -0.01889 -0.00860 0.04422 17 7D-2 -0.03016 0.05933 0.01258 -0.03574 0.01771 18 8D 0 0.00772 0.00244 -0.00469 0.02224 0.00010 19 8D+1 0.01576 -0.00447 -0.00280 -0.01226 0.00458 20 8D-1 -0.00155 0.00687 0.01016 0.01621 0.00356 21 8D+2 -0.00219 -0.00489 -0.00570 -0.00230 0.01045 22 8D-2 -0.00674 0.01591 -0.00340 -0.00985 0.00408 23 2 Cu 1S -0.00290 -0.00744 0.00714 0.00161 0.01057 24 2S -0.05595 -0.12690 0.18108 -0.06294 0.07684 25 3S 0.51398 -1.10668 4.05274 -3.20635 0.05427 26 4PX -0.00492 -0.01544 0.01452 0.01715 -0.07683 27 4PY -0.00768 -0.03015 0.04086 0.01312 -0.01685 28 4PZ -0.01017 -0.00113 -0.02390 0.00453 -0.00495 29 5PX 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-0.01881 -0.00375 -0.03157 0.06985 -0.04756 50 4PZ -0.03428 -0.01343 0.01679 0.04958 0.02218 51 5PX 0.34342 0.33121 0.06232 -0.37706 -0.25703 52 5PY 0.18569 0.07386 0.38738 -0.96276 0.64239 53 5PZ 0.39605 0.13957 -0.06901 -0.51979 -0.34159 54 6PX 2.42687 0.62622 1.29130 0.70865 0.33519 55 6PY 3.20259 0.82431 2.66521 1.06776 -0.65537 56 6PZ 1.05885 0.66384 0.32806 0.96133 0.36984 57 7D 0 -0.02440 -0.02374 0.01525 -0.03664 -0.02230 58 7D+1 0.01067 0.01754 0.00243 0.00207 0.00833 59 7D-1 -0.01599 0.00858 -0.00376 -0.06878 0.04692 60 7D+2 -0.00589 -0.02882 0.01898 0.03080 0.03676 61 7D-2 0.00043 0.00568 0.01474 -0.01071 -0.02480 62 8D 0 -0.00344 -0.00239 0.00953 -0.00984 -0.00558 63 8D+1 -0.00413 0.00180 -0.00439 -0.00158 0.00525 64 8D-1 -0.00160 0.00428 -0.00039 -0.01215 0.00738 65 8D+2 0.00311 -0.00167 0.00221 0.00057 0.00694 66 8D-2 0.00083 -0.00108 -0.00077 0.00545 -0.00524 67 4 Cu 1S 0.00323 0.00263 -0.00600 -0.00038 -0.00747 68 2S 0.05683 0.04906 -0.05183 -0.01716 -0.02825 69 3S 1.87350 0.77740 0.33996 -0.50543 0.18391 70 4PX 0.03793 0.00829 0.00534 0.02037 0.01193 71 4PY 0.01579 -0.00424 -0.02210 0.02818 0.08843 72 4PZ 0.00080 -0.00358 0.01127 -0.02749 -0.02762 73 5PX -0.33728 -0.05705 0.01694 -0.22541 -0.13136 74 5PY -0.12643 0.11042 0.24172 -0.44921 -1.15889 75 5PZ 0.05847 0.01888 -0.06650 0.29992 0.36874 76 6PX 6.61914 2.84536 1.85496 0.09615 0.25891 77 6PY -1.34813 -0.92019 0.36748 0.00547 2.32754 78 6PZ -3.33257 -1.25842 -1.69381 -1.16498 -0.64088 79 7D 0 -0.01380 -0.01394 0.02678 0.01106 0.01577 80 7D+1 -0.02835 -0.03719 0.00639 0.03120 0.01789 81 7D-1 -0.01727 0.01718 0.00218 -0.02200 -0.04605 82 7D+2 -0.01634 0.00736 0.04804 0.00470 -0.01407 83 7D-2 -0.00658 -0.04057 0.00070 0.02693 -0.04981 84 8D 0 0.00129 -0.00264 0.00211 0.00551 0.00414 85 8D+1 -0.00807 -0.01141 0.00523 0.00909 0.00287 86 8D-1 -0.00135 0.00647 -0.00067 -0.00576 -0.01482 87 8D+2 -0.00398 0.00153 0.00597 -0.00188 -0.00422 88 8D-2 -0.00314 -0.00637 0.00119 0.00367 -0.01489 89 5 Cu 1S 0.00326 0.00435 -0.00761 0.00389 0.00251 90 2S 0.03522 0.05219 -0.10095 0.03628 -0.00609 91 3S -0.86492 -0.00525 -1.86304 0.38786 0.32739 92 4PX 0.04765 -0.05070 -0.03063 -0.01076 0.02221 93 4PY 0.04147 -0.04866 -0.02200 0.04051 0.02456 94 4PZ -0.01307 0.01885 0.00052 0.02676 0.01914 95 5PX -0.42149 0.50703 0.35654 0.10230 -0.32062 96 5PY -0.38867 0.52853 0.17740 -0.51302 -0.34799 97 5PZ 0.20211 -0.10162 -0.03983 -0.31623 -0.33710 98 6PX 0.38941 -0.64717 -1.15472 -0.14003 0.14076 99 6PY -0.71539 -1.50200 -1.60463 0.69619 0.63311 100 6PZ -0.67874 -0.39236 0.91991 0.40028 0.66396 101 7D 0 -0.01842 -0.02371 0.03243 0.00616 0.00171 102 7D+1 -0.01411 -0.00956 0.01636 0.01714 0.04582 103 7D-1 0.01727 0.00819 -0.07141 0.03179 -0.03159 104 7D+2 -0.01682 -0.04678 0.02522 -0.02766 0.02223 105 7D-2 -0.00600 -0.00577 0.03436 -0.00812 0.05963 106 8D 0 -0.00592 -0.00863 0.01237 0.00192 0.00475 107 8D+1 -0.00325 -0.00277 0.00056 0.00091 0.00889 108 8D-1 0.00474 -0.00031 -0.01438 0.00708 -0.00448 109 8D+2 -0.00388 -0.00903 0.00627 -0.00404 0.01104 110 8D-2 -0.00286 -0.00460 0.00900 -0.00075 0.00889 111 6 Cu 1S 0.00023 -0.00144 0.00363 0.00007 -0.00449 112 2S -0.00980 -0.01887 0.02859 -0.01082 -0.01172 113 3S -1.22395 -0.57709 -0.70369 -0.29155 0.30228 114 4PX 0.02396 -0.06749 -0.01690 0.00378 -0.02535 115 4PY 0.01722 -0.07278 0.01046 0.00423 -0.03851 116 4PZ -0.02263 0.01275 0.01354 0.04748 0.02873 117 5PX -0.26678 0.66404 0.11068 -0.05221 0.35182 118 5PY -0.12940 0.73727 -0.04928 -0.07727 0.51623 119 5PZ 0.20253 -0.13702 -0.12087 -0.59610 -0.36352 120 6PX -1.84574 -2.30671 -0.21148 -0.49357 -0.28728 121 6PY -2.40537 -1.88003 -0.82050 0.43650 -1.17532 122 6PZ -3.94995 -1.05863 -1.04157 1.25017 0.67445 123 7D 0 -0.00403 -0.02706 -0.03263 -0.01805 0.06752 124 7D+1 -0.01542 -0.00117 0.01953 0.00013 0.00135 125 7D-1 -0.00947 -0.01179 0.02372 0.01430 0.06741 126 7D+2 0.01487 0.04516 -0.02089 0.00881 0.03158 127 7D-2 0.00192 0.01068 0.00521 -0.00988 -0.00575 128 8D 0 -0.00218 -0.00737 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7D+2 -0.00436 -0.01235 0.05590 -0.01049 -0.06354 149 7D-2 0.02294 -0.08868 0.02406 0.01293 -0.03020 150 8D 0 -0.00685 -0.00164 0.00506 -0.00956 -0.01746 151 8D+1 -0.00813 0.01111 0.00284 -0.00409 -0.00579 152 8D-1 0.00355 -0.00448 -0.00849 -0.00108 0.00058 153 8D+2 -0.00264 -0.00343 0.01255 -0.00289 -0.01899 154 8D-2 0.00865 -0.02217 0.00241 0.00407 -0.00946 155 8 Cu 1S -0.00200 -0.00120 0.00202 -0.00966 -0.00142 156 2S -0.07315 -0.02960 -0.00059 -0.05976 -0.01228 157 3S -3.82080 -1.27579 -2.18021 0.16091 -0.00056 158 4PX 0.02727 0.05916 0.03818 0.06838 -0.04296 159 4PY -0.01195 0.00198 0.08489 0.00216 0.02720 160 4PZ 0.00350 -0.00821 -0.03316 -0.05588 -0.02349 161 5PX -0.29716 -0.56447 -0.44848 -0.85702 0.52698 162 5PY 0.12260 0.01941 -0.87017 -0.11731 -0.35234 163 5PZ 0.04422 0.11145 0.44047 0.53001 0.27618 164 6PX -4.10067 -0.48370 -1.05305 1.73161 -1.16936 165 6PY -1.38512 -0.27732 0.41243 0.50461 0.48926 166 6PZ 0.66252 0.50804 -0.96123 -0.69932 -0.74086 167 7D 0 0.02534 -0.00251 -0.02591 -0.03316 -0.03215 168 7D+1 0.00694 -0.01752 0.02180 0.07697 -0.01662 169 7D-1 0.00649 0.01792 0.02532 -0.02044 0.01470 170 7D+2 0.00632 0.01230 -0.04051 -0.00811 0.02082 171 7D-2 -0.03617 0.05198 -0.01235 -0.00246 -0.03558 172 8D 0 0.00171 -0.00056 -0.01028 -0.00304 -0.00550 173 8D+1 0.00135 -0.00587 0.00546 0.01478 -0.00415 174 8D-1 -0.00471 0.00501 -0.00105 -0.00344 -0.00113 175 8D+2 0.00180 0.00143 -0.00535 -0.00122 -0.00248 176 8D-2 -0.00557 0.01422 0.00276 -0.00282 -0.00580 177 9 C 1S -0.01715 -0.03352 0.05766 -0.02663 0.00228 178 2S 0.04264 0.08093 -0.12481 0.06439 -0.00367 179 3S 0.19686 0.41758 -0.81842 0.38606 -0.02170 180 4PX -0.02049 -0.04916 0.07663 -0.00484 -0.13228 181 4PY 0.02770 0.03546 -0.06274 0.03379 -0.01434 182 4PZ 0.01022 0.03279 -0.07467 0.05979 -0.03797 183 5PX -0.02375 -0.05556 0.12261 -0.06864 -0.23351 184 5PY 0.03514 -0.02033 -0.26321 0.46355 0.23998 185 5PZ 0.00914 0.01131 -0.09650 0.06209 0.05978 186 10 O 1S 0.00120 0.00985 -0.00583 -0.00688 -0.00847 187 2S -0.00429 -0.02437 0.02492 0.00017 0.00786 188 3S -0.00719 -0.09645 0.00030 0.17646 0.16245 189 4PX -0.00829 0.01439 -0.04655 -0.01426 0.05967 190 4PY -0.02422 -0.04003 0.03570 0.01331 0.03791 191 4PZ 0.00496 -0.01692 0.05257 -0.02267 0.02559 192 5PX 0.00289 0.03079 -0.04798 -0.00241 0.05956 193 5PY -0.02316 -0.05286 0.08251 -0.02586 0.03471 194 5PZ -0.00216 -0.01445 0.04305 -0.00970 0.00770 126 127 128 129 130 V V V V V EIGENVALUES -- 0.19840 0.20503 0.22147 0.24202 0.25582 1 1 Cu 1S -0.00277 0.01252 0.01461 -0.00014 -0.01681 2 2S -0.02809 0.04023 0.09627 -0.01428 -0.08978 3 3S -0.12016 0.29994 2.30051 -0.62185 -0.93469 4 4PX -0.00183 -0.04915 0.03023 -0.03852 -0.07201 5 4PY 0.02967 0.02355 -0.00238 0.02555 0.03424 6 4PZ -0.00720 -0.00476 0.03402 -0.09179 0.04001 7 5PX 0.12340 0.58758 -0.48185 0.67226 1.46255 8 5PY -0.43713 -0.35535 -0.10236 -0.48677 -0.55033 9 5PZ -0.03677 -0.04509 -0.43788 1.81773 -0.86393 10 6PX 0.58766 -2.39971 -0.19250 -1.40781 -0.70217 11 6PY 0.47646 0.95752 -0.47287 1.03117 1.23415 12 6PZ -1.84022 -0.54366 0.92226 -2.08472 0.82706 13 7D 0 0.01637 0.00784 0.01353 0.00666 0.05212 14 7D+1 -0.01719 -0.00422 -0.00996 0.00954 -0.02537 15 7D-1 0.02565 -0.00044 0.02662 -0.07181 0.03114 16 7D+2 -0.02820 -0.00176 -0.00677 -0.04497 -0.03501 17 7D-2 -0.00946 -0.00086 -0.01527 0.00458 0.01562 18 8D 0 0.00052 -0.00299 0.00151 0.00332 0.01607 19 8D+1 -0.00500 -0.00108 -0.00010 -0.00100 -0.00880 20 8D-1 0.00758 0.00060 0.01373 -0.02845 0.01407 21 8D+2 -0.01085 -0.00896 -0.00140 -0.01590 -0.01560 22 8D-2 0.00201 -0.00141 0.00306 -0.00394 0.00794 23 2 Cu 1S -0.02196 -0.03232 -0.04315 -0.00002 0.02620 24 2S -0.13720 -0.18050 -0.34092 -0.01605 0.21431 25 3S 2.44125 4.23088 -0.14191 -0.32101 0.74122 26 4PX 0.05571 -0.02333 0.01594 0.01334 0.03813 27 4PY -0.01546 -0.04535 -0.01945 0.00530 0.03138 28 4PZ 0.04076 -0.00497 -0.07181 0.00857 -0.04465 29 5PX -0.52117 0.57365 0.01947 -0.19122 -1.09276 30 5PY -0.62620 -0.61935 -0.93099 -0.19368 0.32241 31 5PZ -0.75342 -0.22558 0.80684 -0.07902 0.95645 32 6PX 0.38326 -1.76893 0.50012 0.76546 1.12096 33 6PY 1.36994 1.75263 0.58274 0.11337 0.39212 34 6PZ 0.84832 0.31451 -0.35628 -0.24379 -1.20236 35 7D 0 -0.02333 0.01627 -0.00859 -0.00180 0.00823 36 7D+1 -0.06327 0.00675 0.01404 -0.02777 -0.00721 37 7D-1 -0.02014 0.00908 0.02597 0.01301 0.00387 38 7D+2 0.01448 -0.00974 0.02597 0.01183 0.02196 39 7D-2 -0.01038 -0.02619 0.01843 -0.00961 -0.03199 40 8D 0 -0.01617 -0.01723 -0.01476 -0.00036 0.01497 41 8D+1 -0.01966 -0.00626 -0.00376 -0.00144 -0.01052 42 8D-1 0.00605 0.01665 0.01673 0.00124 -0.00144 43 8D+2 -0.01440 -0.03873 -0.02019 0.00210 0.03646 44 8D-2 -0.02203 -0.02821 -0.01663 -0.00002 -0.00370 45 3 Cu 1S -0.00941 0.00619 -0.00020 -0.00199 -0.00838 46 2S -0.04298 0.05532 0.02550 -0.01253 -0.04403 47 3S -1.87522 -0.90983 -0.21572 1.07677 -0.95043 48 4PX -0.03068 0.05601 -0.02452 -0.00772 -0.00713 49 4PY -0.01999 0.00542 0.05976 -0.01177 0.00380 50 4PZ 0.00551 0.02693 -0.01712 -0.01533 0.01974 51 5PX 0.54512 -0.84637 0.43466 0.20267 0.15159 52 5PY 0.37075 0.07435 -0.98902 0.40250 -0.48668 53 5PZ -0.26580 -0.58455 0.24568 0.57088 -0.59543 54 6PX -0.34545 1.59914 -0.31073 -0.54785 -0.11582 55 6PY -1.02272 -0.25148 0.90667 -0.17741 0.90877 56 6PZ -0.45250 0.71952 -0.56667 -0.42335 -0.09690 57 7D 0 0.01833 -0.06680 0.01963 0.01582 -0.05656 58 7D+1 0.02368 -0.02733 -0.00027 -0.04386 -0.00336 59 7D-1 -0.00126 -0.00491 -0.08944 0.03840 -0.04953 60 7D+2 -0.02325 0.04602 -0.07347 -0.06471 -0.00553 61 7D-2 -0.04580 0.01717 0.03453 -0.04252 0.00233 62 8D 0 0.00240 -0.00876 0.00839 0.02259 -0.01770 63 8D+1 0.00749 -0.00176 -0.00188 -0.00742 0.01199 64 8D-1 0.00813 0.00867 -0.00920 0.01347 -0.02848 65 8D+2 0.00189 0.02848 -0.00456 -0.01045 -0.01032 66 8D-2 -0.00450 -0.00005 0.00779 -0.00513 0.00780 67 4 Cu 1S 0.00517 -0.00094 0.01393 0.00636 -0.00922 68 2S 0.01267 -0.01534 0.07942 0.01786 -0.03426 69 3S -0.16982 -0.98776 -0.66030 -0.40526 0.53570 70 4PX -0.02824 0.04511 -0.03706 -0.05264 0.01188 71 4PY 0.02498 -0.01217 0.02830 -0.00661 -0.02190 72 4PZ -0.00151 -0.04166 0.03019 0.02732 0.00766 73 5PX 0.38125 -0.71996 0.44959 1.14641 -0.01837 74 5PY -0.38993 0.36908 -0.42439 0.32380 0.25174 75 5PZ 0.03602 0.59387 -0.61581 -0.66626 -0.07394 76 6PX -0.71240 0.57301 -0.22770 -2.02434 0.12397 77 6PY 1.43224 -0.07025 -0.73953 -0.56980 -0.56251 78 6PZ -0.02631 -1.41341 0.68702 0.93198 0.53777 79 7D 0 0.03141 0.01556 -0.06563 -0.04997 -0.02328 80 7D+1 -0.02509 0.04886 -0.01173 0.06075 -0.00289 81 7D-1 -0.05154 0.02585 -0.03529 0.03679 0.01216 82 7D+2 0.05920 -0.05113 -0.00163 0.03910 0.01212 83 7D-2 0.05228 -0.01585 -0.06607 0.04414 0.00870 84 8D 0 0.01480 0.01175 -0.00968 -0.02681 0.00336 85 8D+1 -0.00844 0.01251 -0.00397 0.02184 -0.00187 86 8D-1 -0.01607 0.01235 -0.00235 0.01168 -0.00366 87 8D+2 0.01662 -0.00832 0.00898 0.01014 -0.00361 88 8D-2 0.01521 0.00450 -0.00940 0.01364 -0.00073 89 5 Cu 1S 0.00192 0.00630 0.00266 -0.00566 -0.00809 90 2S 0.04172 0.04599 0.00496 -0.04243 -0.02611 91 3S -0.17654 -0.23362 -0.68414 -1.07353 1.68634 92 4PX -0.02667 0.05337 -0.00239 0.01323 0.02985 93 4PY 0.00858 -0.02286 0.02817 0.05325 -0.03635 94 4PZ 0.03207 -0.02112 0.01990 -0.01207 -0.01608 95 5PX 0.41888 -0.89292 -0.01451 -0.47820 -0.80771 96 5PY -0.08262 0.43045 -0.23337 -1.28459 0.81913 97 5PZ -0.36277 0.36501 -0.16504 0.39884 0.17446 98 6PX -0.76753 1.18584 0.49089 1.45199 0.24502 99 6PY 0.24603 -0.76418 0.99928 1.52376 -0.04762 100 6PZ 0.63008 -0.83836 0.78347 -0.28426 -0.61697 101 7D 0 0.03639 -0.04176 0.01910 -0.02502 -0.05400 102 7D+1 -0.01591 0.05189 -0.01619 0.03510 0.03054 103 7D-1 0.05169 0.02326 -0.02924 0.08193 -0.05284 104 7D+2 -0.06932 0.00040 0.03258 0.09475 0.00876 105 7D-2 -0.00698 -0.01299 0.00961 0.04268 -0.04868 106 8D 0 0.00867 -0.00871 -0.00052 -0.01294 -0.01406 107 8D+1 -0.00060 0.01167 0.00705 0.00856 0.01597 108 8D-1 0.00815 -0.00749 -0.02045 0.03108 -0.00886 109 8D+2 -0.01175 0.01033 0.01194 0.02603 0.00326 110 8D-2 -0.00060 -0.00488 0.00775 0.00742 -0.00387 111 6 Cu 1S -0.00104 -0.00687 -0.00194 0.00404 0.00494 112 2S 0.00623 -0.04763 0.01404 0.01909 0.07178 113 3S -0.19732 -0.97202 0.92347 -0.34775 2.98205 114 4PX -0.00537 0.00503 0.00056 -0.01581 -0.06138 115 4PY 0.01726 -0.01791 -0.01725 -0.00815 0.00348 116 4PZ 0.05823 0.00270 -0.03797 0.03597 -0.03467 117 5PX 0.08273 -0.01061 0.10273 0.35253 1.53123 118 5PY -0.15875 0.38015 0.25287 0.25348 0.00042 119 5PZ -0.85212 -0.03276 0.68320 -0.82449 0.72389 120 6PX 0.03076 -0.39855 -0.14019 -0.71730 -0.74019 121 6PY 0.55630 0.03534 -1.44897 -0.58061 -1.17519 122 6PZ 2.19429 0.34647 -1.39978 0.83142 -0.40793 123 7D 0 -0.01165 -0.00610 0.05847 -0.01776 -0.00466 124 7D+1 -0.01320 -0.02298 0.07444 -0.04394 0.06514 125 7D-1 0.05492 -0.04713 0.03873 0.05166 0.02066 126 7D+2 0.01978 0.05286 -0.00459 0.04397 0.10138 127 7D-2 -0.00250 -0.01617 0.03024 -0.00409 -0.05868 128 8D 0 -0.00172 -0.01109 0.01755 0.00254 -0.00557 129 8D+1 -0.00766 -0.00422 0.01797 -0.01138 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7D-1 -0.04732 0.02782 -0.01725 -0.01102 0.03431 170 7D+2 0.04211 0.03111 -0.02384 -0.01552 0.00982 171 7D-2 -0.04260 0.03849 -0.01122 -0.00592 0.00325 172 8D 0 0.00819 0.01719 -0.00822 -0.01105 0.00975 173 8D+1 0.00570 -0.00166 -0.01683 0.01973 -0.03145 174 8D-1 -0.00872 0.00805 -0.00323 -0.00942 0.00857 175 8D+2 0.01266 0.00800 -0.00496 -0.00646 0.00181 176 8D-2 -0.00727 0.01071 -0.00605 0.00105 0.00251 177 9 C 1S 0.00511 0.01096 -0.03251 -0.00224 0.01692 178 2S -0.01062 -0.03348 0.07694 0.01292 -0.06606 179 3S -0.16268 -0.21896 0.46087 -0.01604 -0.13240 180 4PX 0.13051 -0.03836 -0.03250 0.03882 0.13479 181 4PY -0.02503 -0.08160 -0.02880 0.01648 0.06586 182 4PZ 0.07004 -0.00685 -0.10214 -0.02937 -0.09393 183 5PX 0.35262 0.30694 0.33450 0.02743 -0.08227 184 5PY -0.88353 -1.45091 -0.99390 -0.00767 0.73626 185 5PZ -0.08470 -0.26691 -0.35337 0.06637 -0.02965 186 10 O 1S 0.02888 0.04560 0.04751 0.00057 -0.02833 187 2S -0.03567 -0.05453 -0.07239 -0.00255 0.04316 188 3S -0.50789 -0.81729 -0.75018 0.00157 0.45020 189 4PX -0.03657 0.05707 0.03104 -0.02366 -0.04677 190 4PY -0.07006 -0.08772 -0.11049 -0.00844 0.02918 191 4PZ -0.05050 -0.02085 0.02227 0.01730 0.03391 192 5PX -0.04898 0.02737 0.01457 -0.00902 -0.05877 193 5PY -0.05138 -0.06901 -0.17328 -0.00011 0.07578 194 5PZ -0.02821 0.00220 0.03866 -0.01668 0.06328 131 132 133 134 135 V V V V V EIGENVALUES -- 0.26913 0.26988 0.27995 0.29351 0.30303 1 1 Cu 1S -0.00286 -0.00624 0.00137 0.00708 0.00958 2 2S -0.07535 0.07949 0.03622 -0.03654 0.03929 3 3S -3.95079 6.65749 1.72737 -4.49471 0.35262 4 4PX -0.00271 0.04059 -0.00071 -0.01378 -0.02547 5 4PY -0.01645 -0.01060 -0.00133 -0.03316 0.04006 6 4PZ -0.02468 -0.03618 -0.02028 0.02732 0.01017 7 5PX -0.09808 -0.93660 0.22016 0.60582 1.23995 8 5PY 0.37944 0.44834 0.16685 0.85610 -1.56260 9 5PZ 0.82171 0.89048 0.56601 -1.09472 -0.33947 10 6PX -2.59908 -0.42284 -0.01979 1.71914 2.04193 11 6PY 3.33875 -0.19271 0.24586 -1.13603 -2.13840 12 6PZ 6.93492 1.55640 -1.12192 -5.28003 -3.58324 13 7D 0 -0.04950 0.08494 0.00833 -0.03965 0.05556 14 7D+1 -0.00501 -0.03973 -0.07898 -0.07023 -0.02300 15 7D-1 0.04662 0.06168 -0.00210 -0.00770 -0.08485 16 7D+2 -0.05083 0.03356 -0.00815 0.02504 -0.02903 17 7D-2 0.06709 -0.02493 -0.04217 -0.02557 0.07281 18 8D 0 -0.01497 0.03154 0.00835 -0.01739 0.01644 19 8D+1 -0.01603 -0.01957 -0.03316 -0.01579 -0.00531 20 8D-1 0.01748 0.01856 0.00332 0.00367 -0.01201 21 8D+2 -0.01214 0.01179 -0.00238 0.01115 -0.01643 22 8D-2 0.02100 -0.00538 -0.01122 -0.01159 0.00908 23 2 Cu 1S -0.01884 0.02104 0.00346 -0.01171 -0.00398 24 2S -0.17595 0.18511 0.02082 -0.07024 -0.01260 25 3S -1.89363 3.14678 0.59127 -1.24228 1.36438 26 4PX -0.01157 -0.03817 -0.00429 -0.01415 -0.01300 27 4PY 0.04066 -0.03224 -0.01198 0.00859 -0.04853 28 4PZ 0.03290 0.01203 0.08221 -0.04869 -0.02049 29 5PX 0.09298 0.72171 0.18719 0.43947 0.45560 30 5PY -1.11898 1.02440 0.11673 0.07801 0.77910 31 5PZ -0.70567 -0.29860 -1.68987 0.92339 0.49890 32 6PX 0.79669 -0.82160 0.66681 -0.98326 -0.27021 33 6PY -0.25211 0.31475 -0.36584 -0.08119 0.35442 34 6PZ -0.76017 -1.61253 2.99456 -0.61732 -0.16352 35 7D 0 -0.06121 0.04659 -0.01180 0.00833 0.05280 36 7D+1 0.00526 -0.01299 -0.03420 -0.06543 -0.03769 37 7D-1 -0.01066 -0.04937 -0.04287 0.02126 0.02610 38 7D+2 -0.01160 -0.04079 -0.01051 -0.00834 0.01337 39 7D-2 -0.02053 0.02561 0.02316 0.04249 -0.01656 40 8D 0 -0.02846 0.00750 -0.01335 -0.00769 0.01360 41 8D+1 -0.00623 0.00258 -0.01077 -0.01769 -0.00483 42 8D-1 0.00202 -0.00337 -0.01549 0.01497 -0.00550 43 8D+2 -0.01507 -0.00220 -0.00702 0.00002 0.01215 44 8D-2 -0.00651 0.01006 -0.00428 0.00969 0.01764 45 3 Cu 1S 0.00073 -0.02463 -0.00771 -0.00833 0.01165 46 2S 0.05931 -0.21860 -0.12723 -0.07657 -0.00281 47 3S 5.49045 -2.65821 -3.82873 -4.03518 -4.64213 48 4PX 0.01947 -0.04502 -0.04582 -0.04305 -0.01170 49 4PY -0.01499 -0.01346 0.00125 0.01377 -0.00388 50 4PZ -0.04461 0.07416 0.04581 0.01497 0.03817 51 5PX -0.50051 0.92500 1.02687 1.44052 0.53804 52 5PY 0.37123 0.60966 0.34634 -0.44094 0.08346 53 5PZ 1.29883 -1.15973 -0.96353 -0.42748 -1.32799 54 6PX 0.98171 0.30524 0.57339 -0.64048 -0.45501 55 6PY 1.15382 0.15419 -0.72881 -0.91572 -0.59035 56 6PZ 0.65866 -0.87256 -0.28622 -0.50844 -0.46171 57 7D 0 0.05409 -0.00004 0.00828 0.02855 -0.09706 58 7D+1 -0.03990 0.01932 0.06425 0.05135 0.02622 59 7D-1 0.00932 0.06369 0.04125 -0.04561 0.01022 60 7D+2 0.01858 -0.02433 0.01371 -0.08072 -0.04163 61 7D-2 -0.01796 -0.01130 0.01335 0.03125 -0.02964 62 8D 0 0.01953 0.00766 -0.00037 0.00797 -0.00229 63 8D+1 -0.01394 0.00983 0.00754 0.01387 0.01951 64 8D-1 0.00961 0.01896 0.01404 -0.00974 -0.00529 65 8D+2 -0.00336 -0.00775 -0.00338 -0.01446 0.00897 66 8D-2 -0.00722 -0.01241 -0.01366 -0.00496 0.00276 67 4 Cu 1S -0.01112 0.00889 0.00601 0.00617 -0.00226 68 2S -0.06926 0.00474 0.14968 0.18708 0.03431 69 3S 0.59638 -1.84258 5.36519 7.19668 1.58450 70 4PX -0.00410 -0.02930 -0.01260 -0.09627 -0.02088 71 4PY 0.01985 0.01312 -0.06101 0.00433 0.02775 72 4PZ -0.00022 0.05789 -0.06079 -0.05805 -0.02184 73 5PX 0.30233 0.66559 0.38329 2.18350 0.65453 74 5PY -0.75698 -0.28627 1.46379 -0.03866 -0.93986 75 5PZ 0.31353 -1.50623 1.49483 1.47634 0.57617 76 6PX 1.43280 -1.68884 2.49206 -1.32608 -0.85136 77 6PY -0.30545 1.07484 -2.12379 1.57776 0.69629 78 6PZ -1.34382 0.04310 0.17447 2.03123 0.84482 79 7D 0 0.02563 -0.07579 0.02476 0.02228 0.04184 80 7D+1 0.07192 -0.02724 -0.04725 0.03065 -0.01900 81 7D-1 -0.04777 -0.01464 0.07379 0.00873 -0.05921 82 7D+2 0.02011 0.05804 0.03043 0.05000 0.02368 83 7D-2 -0.00072 0.01528 -0.00038 -0.02868 0.02312 84 8D 0 0.01280 -0.02216 0.01117 0.00785 0.01528 85 8D+1 0.02320 -0.01058 -0.00329 0.01264 -0.00160 86 8D-1 -0.01904 -0.00913 0.01794 -0.00156 -0.01563 87 8D+2 0.00529 0.01466 -0.00096 0.01697 0.01972 88 8D-2 0.00501 0.00267 0.00693 0.00566 0.00750 89 5 Cu 1S -0.00616 0.00689 -0.00947 -0.00359 -0.01926 90 2S 0.12016 0.03180 -0.01298 0.06109 -0.18670 91 3S 6.53942 -1.17789 1.47339 4.74559 -3.01450 92 4PX 0.04808 0.02672 0.00906 0.03414 -0.02096 93 4PY -0.02779 -0.03657 0.04557 -0.04243 0.03309 94 4PZ 0.08228 -0.04262 0.02707 0.03047 -0.05337 95 5PX -1.33003 -0.61154 -0.30191 -0.99476 0.42639 96 5PY 0.61894 0.83112 -1.02294 1.03410 -0.72435 97 5PZ -1.93113 1.12054 -0.72592 -1.06385 1.23679 98 6PX -0.77662 0.36440 -0.36647 0.19808 0.08122 99 6PY 0.00083 -1.71666 2.99652 -0.48951 -0.38035 100 6PZ -1.15218 -1.01255 1.51077 -1.14142 0.48881 101 7D 0 0.05565 -0.09385 0.03940 0.00822 -0.02599 102 7D+1 0.04180 0.00783 0.03884 0.06097 0.03996 103 7D-1 0.01680 0.00366 0.05882 -0.04960 -0.00764 104 7D+2 0.01095 -0.03677 0.01185 0.00423 0.02985 105 7D-2 -0.05876 -0.02535 0.00452 -0.00376 -0.00998 106 8D 0 0.00563 -0.02405 0.01259 0.00753 -0.00576 107 8D+1 0.02760 -0.00586 0.01056 0.01609 -0.01142 108 8D-1 0.00042 0.00983 0.01390 -0.02562 -0.00287 109 8D+2 0.00481 0.00047 0.00714 0.00782 0.00234 110 8D-2 -0.01110 -0.01636 0.00433 -0.00670 0.00586 111 6 Cu 1S -0.00604 -0.00113 -0.00586 -0.01422 0.01889 112 2S 0.09567 0.01247 -0.05763 -0.13015 0.20521 113 3S 5.72907 1.04995 -1.14774 -2.88647 5.10693 114 4PX -0.05598 0.01058 0.00759 0.05175 -0.04689 115 4PY 0.06683 0.02745 -0.04234 -0.01081 0.06926 116 4PZ -0.00939 0.00428 -0.06376 0.01856 -0.00848 117 5PX 1.34859 -0.26605 -0.05297 -1.04665 1.16634 118 5PY -1.61929 -0.56624 1.02536 0.14421 -2.03334 119 5PZ 0.58266 -0.00813 1.85269 -0.49800 0.25796 120 6PX 0.61151 0.97831 -0.94582 0.07072 0.86474 121 6PY -1.32029 1.11406 -1.64464 1.33163 0.31435 122 6PZ -0.51880 1.17183 -2.50844 2.08634 1.21394 123 7D 0 0.00542 0.02769 -0.00873 -0.02274 -0.05537 124 7D+1 0.01640 0.03336 0.08252 0.00031 -0.00176 125 7D-1 -0.01365 0.02011 -0.05770 -0.03408 -0.00977 126 7D+2 -0.01919 -0.04262 0.02923 -0.03219 -0.05644 127 7D-2 -0.05389 -0.00320 0.05252 0.00290 -0.03214 128 8D 0 -0.00351 0.01219 0.01218 -0.01260 -0.01864 129 8D+1 0.02247 0.00554 0.02589 -0.01937 0.00138 130 8D-1 -0.01170 0.01286 -0.02962 -0.00899 -0.01145 131 8D+2 -0.00984 -0.01854 0.01374 0.00093 -0.00768 132 8D-2 -0.01733 0.00338 0.00570 -0.00477 -0.02384 133 7 Cu 1S 0.00439 0.01028 0.00436 -0.00498 -0.02275 134 2S -0.05278 0.07880 -0.00982 -0.08771 -0.20032 135 3S -5.54298 0.25331 -2.83657 -3.90222 -4.31532 136 4PX 0.01969 -0.00257 0.01910 0.04307 0.01871 137 4PY 0.04276 0.00361 0.01411 0.01921 0.08025 138 4PZ -0.00265 0.01351 -0.01569 -0.00027 -0.04128 139 5PX -0.60477 -0.14073 -0.46112 -1.13607 0.09943 140 5PY -1.36143 -0.15790 -0.31269 -0.06440 -2.06977 141 5PZ -0.14447 -0.42193 0.65941 0.14852 1.45705 142 6PX -0.68539 -0.16009 -0.28791 -0.19317 -0.50225 143 6PY -1.22937 0.62715 0.04199 0.16077 -0.20242 144 6PZ -1.21500 0.29094 0.62837 1.07848 0.66226 145 7D 0 0.03116 0.03868 -0.04983 -0.05594 -0.00824 146 7D+1 -0.09286 0.02394 0.01505 -0.01673 0.04232 147 7D-1 0.06059 0.03023 0.02388 -0.02377 0.04481 148 7D+2 0.01518 -0.03079 -0.01670 -0.04295 0.09592 149 7D-2 0.00562 -0.01674 -0.02610 -0.00550 0.00953 150 8D 0 0.00877 0.02546 -0.01813 -0.01715 -0.00367 151 8D+1 -0.03070 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-0.01840 15 7D-1 -0.01493 -0.06422 0.01927 -0.00401 0.00754 16 7D+2 -0.12884 0.04717 -0.07427 -0.00008 -0.00752 17 7D-2 -0.06818 0.00068 0.03057 0.00628 0.00643 18 8D 0 0.00266 0.00189 -0.00855 -0.01044 -0.00329 19 8D+1 -0.00803 -0.02120 0.00313 -0.00220 0.01157 20 8D-1 -0.01553 -0.02962 0.01220 -0.00965 -0.02003 21 8D+2 -0.02905 0.01501 -0.01602 -0.00163 -0.00240 22 8D-2 -0.01874 0.00839 0.00719 -0.02135 -0.00150 23 2 Cu 1S -0.01603 0.01854 -0.00778 -0.00735 -0.00644 24 2S -0.15539 0.13834 -0.09565 -0.03993 -0.03004 25 3S -3.62759 3.06910 -3.65815 -0.65636 0.07835 26 4PX -0.06944 0.03814 -0.02415 -0.02559 0.00023 27 4PY 0.08925 -0.02056 0.11719 0.00534 0.00753 28 4PZ -0.01722 -0.05800 0.01055 -0.01521 -0.03529 29 5PX 2.10815 -1.65923 0.49558 1.08987 -0.04904 30 5PY -2.67856 1.18271 -3.80741 0.05076 -0.57884 31 5PZ 0.63944 2.56829 -0.60106 0.63823 1.28322 32 6PX -0.05915 0.45422 0.21541 2.65731 -0.73004 33 6PY -0.74572 0.36862 -0.81226 0.37112 -1.10459 34 6PZ 0.03789 -0.40974 -0.37027 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-0.85489 -0.20110 -0.37153 75 5PZ 1.44369 2.07489 -0.33246 0.61449 0.14820 76 6PX 0.35162 1.16229 -0.07503 0.34338 0.25264 77 6PY 0.12215 -0.29607 0.24656 -0.43952 -1.55324 78 6PZ 0.18081 -0.57766 -0.38830 -0.17558 0.22565 79 7D 0 -0.04579 0.05588 0.03440 -0.02163 -0.01099 80 7D+1 0.06183 -0.02424 -0.03149 0.03462 -0.01084 81 7D-1 -0.03277 -0.00108 -0.07780 -0.01789 -0.01268 82 7D+2 0.03377 -0.04926 -0.01444 -0.01487 0.01771 83 7D-2 -0.04654 0.00207 -0.07350 -0.02316 -0.04522 84 8D 0 0.00241 0.04466 -0.02142 0.00775 0.00751 85 8D+1 0.02582 0.01946 -0.01997 0.00080 0.00716 86 8D-1 -0.00215 0.00291 -0.00958 0.00969 -0.00527 87 8D+2 -0.00413 -0.00815 -0.01038 0.00626 -0.01286 88 8D-2 -0.00864 0.01269 -0.03227 0.00418 0.01410 89 5 Cu 1S -0.00473 -0.00756 0.01705 0.00597 0.02297 90 2S -0.09885 -0.08068 0.05647 0.00098 0.02685 91 3S -3.74806 -2.24798 -0.55159 -1.29098 -1.77872 92 4PX -0.02057 -0.01682 0.01582 -0.00039 -0.00035 93 4PY -0.01279 -0.00706 -0.00910 -0.00056 0.00309 94 4PZ 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0.09096 -0.01504 -0.01099 17 7D-2 -0.01688 -0.08797 0.16260 0.08929 -0.10226 18 8D 0 -0.02243 0.06341 0.20400 -0.22402 0.13934 19 8D+1 0.00664 0.09519 0.24788 0.06384 0.05377 20 8D-1 -0.01174 0.13249 -0.00685 -0.12431 -0.18243 21 8D+2 0.00283 -0.04874 -0.11943 0.01585 0.00872 22 8D-2 0.02697 0.10726 -0.24289 -0.13738 0.14586 23 2 Cu 1S -0.07722 0.02003 0.01550 -0.00629 -0.01402 24 2S -0.24871 0.01653 0.00756 -0.00778 -0.02221 25 3S 3.07108 -0.14056 0.42041 -0.88696 0.20559 26 4PX 0.01680 -0.01070 0.00347 0.00143 -0.00628 27 4PY -0.04330 0.00303 -0.01193 0.00474 -0.01200 28 4PZ -0.00733 0.00597 -0.00106 -0.00129 -0.00939 29 5PX -0.11201 0.32157 0.14342 0.14772 0.09537 30 5PY 0.01568 -0.31374 -0.16557 -0.04752 0.16284 31 5PZ -0.04492 -0.43416 -0.02602 0.08504 0.32312 32 6PX 0.06200 0.02445 -0.00968 -0.73390 0.38389 33 6PY -0.42237 -0.02688 0.03092 -0.16054 0.21806 34 6PZ -0.27980 0.39085 -0.16484 -0.37581 -0.43916 35 7D 0 0.09373 -0.15521 0.02111 -0.07990 -0.10795 36 7D+1 0.02698 -0.00980 0.02324 -0.00673 0.08638 37 7D-1 -0.06950 0.09694 -0.04270 -0.15785 -0.11034 38 7D+2 0.11431 0.08484 -0.03518 0.04719 -0.04722 39 7D-2 0.08128 0.09776 -0.09722 -0.12249 0.08880 40 8D 0 -0.14369 0.24445 -0.01233 0.10874 0.16044 41 8D+1 -0.04050 0.02284 -0.00980 0.01402 -0.12825 42 8D-1 0.10808 -0.15558 0.05340 0.21969 0.15734 43 8D+2 -0.18525 -0.11807 0.06094 -0.06385 0.04565 44 8D-2 -0.12936 -0.14437 0.14918 0.17717 -0.12815 45 3 Cu 1S -0.00954 0.05694 0.04295 -0.04957 -0.02322 46 2S 0.00865 0.07877 0.08402 -0.08363 -0.03528 47 3S 0.70196 -2.03856 -0.32942 0.29834 -0.21351 48 4PX 0.00520 -0.01201 0.00003 -0.00286 0.00064 49 4PY 0.00882 -0.00776 0.00324 -0.00558 -0.00794 50 4PZ -0.00318 0.00554 -0.00005 -0.00112 -0.00063 51 5PX -0.19735 0.27044 -0.05380 0.03018 -0.03567 52 5PY 0.11978 0.05929 0.01062 0.06106 0.05909 53 5PZ 0.18735 -0.46508 -0.05252 0.22099 -0.03339 54 6PX -0.09367 -0.15479 -0.11923 -0.38058 -0.36816 55 6PY 0.56717 -0.36351 0.01153 -0.52117 0.19171 56 6PZ -0.05698 -0.17379 -0.22656 -0.02288 -0.23497 57 7D 0 -0.01382 0.08204 0.05675 -0.00055 0.08693 58 7D+1 -0.01164 0.11311 0.00873 -0.09632 -0.00789 59 7D-1 -0.03158 0.03541 0.08407 -0.01407 -0.05650 60 7D+2 -0.02545 -0.04102 -0.07814 0.02864 0.09984 61 7D-2 0.02335 -0.15938 0.11273 -0.01835 0.04052 62 8D 0 0.03442 -0.12518 -0.08127 0.02733 -0.12879 63 8D+1 -0.00316 -0.13392 -0.00157 0.11444 0.00110 64 8D-1 0.04841 -0.04002 -0.11547 0.03620 0.07737 65 8D+2 0.04334 0.05182 0.10190 -0.04561 -0.14663 66 8D-2 -0.03094 0.22249 -0.16281 0.02341 -0.05802 67 4 Cu 1S 0.00317 0.12034 0.08443 -0.05018 -0.03186 68 2S -0.00844 0.19830 0.16627 -0.06732 -0.05052 69 3S -0.60008 -2.51366 -2.24833 1.34152 0.50321 70 4PX 0.00276 0.00233 0.00280 -0.00551 -0.00134 71 4PY 0.00570 -0.00213 0.00606 -0.00591 0.00942 72 4PZ 0.00355 0.00716 0.00364 -0.00949 -0.00005 73 5PX -0.16207 -0.12718 -0.26682 0.27520 0.09740 74 5PY 0.08674 -0.09021 -0.12795 0.17435 -0.29274 75 5PZ 0.00184 -0.73005 -0.45038 0.28200 0.13193 76 6PX -0.24023 -0.01240 -0.45166 -0.83114 -0.50776 77 6PY 0.33360 -0.14360 0.03164 0.90404 0.17874 78 6PZ 0.01496 -0.34187 -0.36243 0.89768 0.47838 79 7D 0 -0.01615 -0.00128 0.13722 -0.08128 0.05594 80 7D+1 -0.01890 0.01098 0.13134 0.06927 -0.03182 81 7D-1 0.00006 -0.10975 0.04378 -0.14242 -0.05639 82 7D+2 -0.01602 -0.13265 0.04207 0.05670 0.08541 83 7D-2 -0.01786 0.13983 -0.11809 -0.02661 -0.05400 84 8D 0 0.03122 -0.03151 -0.21920 0.10134 -0.05582 85 8D+1 0.02823 -0.03714 -0.19701 -0.07464 0.04037 86 8D-1 0.00630 0.13757 -0.07478 0.20563 0.05423 87 8D+2 0.01994 0.18132 -0.07802 -0.07071 -0.12018 88 8D-2 0.03741 -0.20507 0.15318 0.02898 0.07583 89 5 Cu 1S -0.01572 0.08136 0.14575 0.04253 0.05306 90 2S -0.03399 0.16318 0.27290 0.07128 0.05491 91 3S -0.22834 -1.60213 -3.60335 -0.79166 -1.49169 92 4PX -0.00143 -0.00085 -0.00164 -0.00158 -0.00154 93 4PY 0.00909 -0.00338 0.00747 0.00639 0.00741 94 4PZ 0.00206 0.00275 -0.00445 0.00353 -0.00770 95 5PX -0.01463 0.26729 0.42475 0.27696 0.09406 96 5PY 0.00272 -0.11194 -0.33389 -0.13572 -0.21327 97 5PZ 0.00115 0.12488 0.71526 0.00161 0.41747 98 6PX -0.36338 0.13939 0.41953 0.54616 0.05933 99 6PY 0.47244 0.12884 -0.30684 -0.55417 -0.18411 100 6PZ 0.48044 0.74155 0.56877 -0.18874 -0.01828 101 7D 0 -0.00939 0.09430 0.02415 -0.14399 -0.10270 102 7D+1 -0.01654 -0.00263 0.07129 0.04216 -0.14225 103 7D-1 0.04154 -0.11277 0.01850 -0.06954 0.01452 104 7D+2 -0.01233 0.07553 -0.01139 -0.01206 0.13800 105 7D-2 0.00548 -0.07788 -0.05781 -0.06269 -0.06252 106 8D 0 0.01552 -0.12588 -0.05805 0.19987 0.11493 107 8D+1 0.02352 -0.01659 -0.14201 -0.07849 0.20118 108 8D-1 -0.06216 0.15264 0.01477 0.07754 -0.01274 109 8D+2 0.02094 -0.12343 0.00476 0.01093 -0.18177 110 8D-2 -0.00627 0.11849 0.09000 0.09364 0.10254 111 6 Cu 1S -0.04012 0.06026 0.04866 0.08547 -0.00533 112 2S -0.08015 0.12538 0.11182 0.12572 0.01734 113 3S 0.55269 -0.75358 -0.95730 -2.56125 0.49555 114 4PX -0.00167 -0.00477 0.00177 0.00690 -0.00777 115 4PY -0.00069 -0.00336 -0.00004 -0.00249 0.00505 116 4PZ 0.00054 0.00060 0.00080 -0.00132 0.00659 117 5PX 0.10686 -0.04439 -0.20435 -0.38379 0.21272 118 5PY -0.05554 0.12828 0.20054 0.37914 -0.24595 119 5PZ 0.03531 -0.22179 -0.11077 -0.17330 -0.21336 120 6PX 0.44852 -0.28901 -0.17129 0.06889 -0.03239 121 6PY -0.24656 0.09734 0.32579 0.65187 0.13358 122 6PZ -0.04272 -0.21929 -0.13392 0.43495 0.23181 123 7D 0 0.01717 0.00953 -0.06284 0.13869 -0.15245 124 7D+1 0.00415 -0.01596 0.11656 0.03065 0.07010 125 7D-1 0.00487 -0.12537 -0.00036 -0.11467 0.03143 126 7D+2 -0.01502 0.12124 -0.00290 -0.03317 0.03678 127 7D-2 0.00548 -0.08898 -0.13549 0.04244 0.00353 128 8D 0 -0.02009 -0.01747 0.10681 -0.19690 0.20195 129 8D+1 -0.00264 0.01730 -0.16604 -0.06468 -0.11182 130 8D-1 -0.00434 0.18195 0.02012 0.14726 -0.04937 131 8D+2 0.01474 -0.14476 0.00605 0.05012 -0.04032 132 8D-2 -0.01227 0.12690 0.20875 -0.02944 -0.02148 133 7 Cu 1S 0.00572 -0.04875 -0.05386 -0.08119 0.00772 134 2S 0.00188 -0.05010 -0.04463 -0.14610 -0.01783 135 3S -0.83572 3.14236 3.02375 1.87488 -0.52576 136 4PX -0.00353 -0.00892 -0.01613 -0.00356 0.00682 137 4PY 0.00669 -0.00699 -0.01468 -0.00486 0.00945 138 4PZ -0.00006 0.00024 0.00130 0.00435 0.00100 139 5PX -0.06089 0.42216 0.49800 0.28849 -0.09715 140 5PY 0.02329 0.09485 0.32536 0.21829 -0.20241 141 5PZ 0.07038 -0.40419 -0.08065 -0.08458 0.17521 142 6PX -0.22496 0.10901 0.31301 0.33790 0.35187 143 6PY 0.34030 0.38646 0.12789 0.56486 -0.46538 144 6PZ -0.01658 -0.14195 0.11054 0.37228 0.31081 145 7D 0 0.00129 -0.01817 -0.07622 0.00519 0.13700 146 7D+1 0.01965 -0.04082 -0.14277 -0.00054 0.07775 147 7D-1 0.00753 0.17290 -0.10766 0.15861 -0.00489 148 7D+2 -0.01522 -0.06002 0.00352 -0.05401 -0.08243 149 7D-2 -0.02298 0.08364 0.18315 0.02104 0.03613 150 8D 0 0.00288 0.04942 0.11862 -0.03285 -0.18612 151 8D+1 -0.01669 0.05151 0.21219 0.00261 -0.08765 152 8D-1 -0.01723 -0.24653 0.13752 -0.23721 -0.00174 153 8D+2 0.01511 0.10190 0.00734 0.08818 0.11889 154 8D-2 0.04507 -0.13564 -0.25751 -0.04003 -0.04353 155 8 Cu 1S -0.02356 0.03238 0.02938 -0.09168 -0.04045 156 2S -0.04760 0.08471 0.05567 -0.13873 -0.04895 157 3S -0.60594 0.79407 -0.58441 3.15139 1.62941 158 4PX -0.00100 0.00803 -0.00525 -0.00146 0.00474 159 4PY 0.00139 0.01193 -0.00468 0.00911 0.00512 160 4PZ -0.00454 -0.00002 -0.00404 0.00413 0.00890 161 5PX 0.01323 -0.03477 0.02501 0.04284 0.05065 162 5PY -0.02317 -0.15697 0.10691 -0.36966 -0.31513 163 5PZ 0.16109 -0.07784 0.35016 -0.54471 -0.35513 164 6PX -0.13585 0.10439 -0.01854 0.47082 0.18395 165 6PY 0.21680 0.45032 0.07753 -0.36260 -0.24770 166 6PZ -0.57647 -0.02721 0.22222 -0.22992 -0.12173 167 7D 0 -0.02436 0.02428 0.07745 -0.13316 0.12227 168 7D+1 0.02670 -0.00045 0.02835 0.01396 -0.00518 169 7D-1 -0.01063 0.13635 0.05731 0.10725 -0.04935 170 7D+2 -0.00555 -0.07246 -0.04537 -0.03605 -0.12651 171 7D-2 -0.00496 0.13140 -0.00828 0.01690 0.06153 172 8D 0 0.02427 -0.02869 -0.12593 0.22139 -0.15901 173 8D+1 -0.03119 0.00648 -0.01816 -0.01681 -0.00300 174 8D-1 0.01459 -0.19088 -0.11064 -0.12169 0.09163 175 8D+2 0.00245 0.10666 0.06735 0.04906 0.18031 176 8D-2 0.00394 -0.18380 0.00644 -0.05501 -0.10306 177 9 C 1S 0.03120 0.01245 -0.00123 -0.00551 -0.01207 178 2S -0.15386 -0.15699 0.12568 -0.08347 -0.01941 179 3S -2.14441 -0.21050 -0.34039 0.12227 0.10029 180 4PX -0.23297 -0.02965 -0.03910 0.03818 0.03105 181 4PY 1.03864 0.11700 0.21070 -0.09848 -0.11835 182 4PZ 0.13340 0.02344 0.03519 0.00075 0.00316 183 5PX 0.16618 -0.00007 -0.00844 -0.13830 0.01437 184 5PY -0.45872 -0.16096 -0.20931 0.07569 0.13333 185 5PZ -0.03350 0.03987 -0.04544 -0.08877 -0.16442 186 10 O 1S -0.09163 -0.00810 -0.00357 0.00036 0.00429 187 2S 0.25996 0.01482 0.00601 -0.00964 -0.03007 188 3S 0.85332 0.06448 0.06545 0.00013 -0.00324 189 4PX 0.00042 0.03621 -0.13309 -0.25515 0.29779 190 4PY 0.10042 0.01995 0.08972 -0.13942 -0.04475 191 4PZ -0.00888 0.11183 -0.06938 -0.31262 -0.30770 192 5PX -0.34150 -0.08397 0.15433 0.38858 -0.40469 193 5PY 1.36707 0.18701 0.05489 0.13477 -0.04372 194 5PZ 0.22783 -0.13432 0.12225 0.44201 0.45161 146 147 148 149 150 V V V V V EIGENVALUES -- 0.66973 0.67933 0.71014 0.72095 0.73992 1 1 Cu 1S -0.02217 -0.12827 0.05460 -0.06306 0.07753 2 2S -0.06661 -0.19019 0.04076 -0.03761 0.10901 3 3S -0.43723 4.45275 -2.31437 3.56811 -1.77875 4 4PX -0.00572 0.00065 -0.00987 -0.00010 -0.01396 5 4PY -0.00315 -0.00368 -0.02050 0.01957 0.00824 6 4PZ 0.00020 -0.00483 -0.00098 0.01139 0.00461 7 5PX 0.03658 -0.31927 0.69151 -0.13953 0.75940 8 5PY 0.17157 -0.11384 0.69251 -0.84162 -0.31220 9 5PZ 0.26285 0.63113 0.01788 -0.08685 -0.04498 10 6PX -0.44066 -0.36185 1.42193 -0.20949 0.56560 11 6PY 0.85779 -0.24114 -0.83871 -0.52866 -0.35820 12 6PZ 0.30530 1.31566 -2.63317 -1.31073 0.69657 13 7D 0 0.00643 -0.01173 -0.03906 0.02735 -0.10561 14 7D+1 0.06292 0.15306 0.06388 0.08676 0.03372 15 7D-1 0.05414 0.11413 -0.02693 -0.11483 0.00560 16 7D+2 0.02058 -0.02080 0.06369 0.00941 0.09695 17 7D-2 -0.04423 0.02629 -0.03514 0.04343 -0.11635 18 8D 0 0.00087 0.06926 0.06002 -0.03819 0.15000 19 8D+1 -0.09796 -0.24909 -0.12334 -0.16918 -0.03709 20 8D-1 -0.08230 -0.14685 0.02701 0.17001 -0.02601 21 8D+2 -0.01151 0.03089 -0.09102 -0.03742 -0.17396 22 8D-2 0.06011 -0.04874 0.03282 -0.05969 0.19248 23 2 Cu 1S 0.02439 0.01089 0.01386 0.01564 -0.04282 24 2S 0.01109 0.03332 0.03485 0.00979 -0.04199 25 3S 2.39126 0.82848 -0.17188 -0.81212 -0.71965 26 4PX 0.00406 0.00128 -0.02362 0.00036 -0.01277 27 4PY -0.00749 -0.01806 -0.00426 0.02354 0.02949 28 4PZ -0.00807 -0.01675 0.00198 -0.00156 0.00479 29 5PX 0.02542 -0.06003 0.80645 -0.14952 0.49674 30 5PY -0.08900 0.32757 0.35584 -0.67142 -0.28409 31 5PZ 0.18695 0.54740 0.05763 0.19525 0.04915 32 6PX -0.40020 0.32154 -0.28644 -0.05121 0.49619 33 6PY 1.27723 -0.49199 -0.22873 0.12108 0.01356 34 6PZ 0.04863 0.07855 0.62386 -0.20142 -0.59498 35 7D 0 0.01963 -0.12265 -0.09262 -0.03202 0.10491 36 7D+1 -0.00574 -0.13714 0.08942 0.09373 -0.03289 37 7D-1 -0.11510 -0.03145 0.05113 -0.02643 -0.03255 38 7D+2 0.08664 -0.05378 0.12464 -0.02611 0.00357 39 7D-2 0.07490 -0.01350 -0.08556 0.04683 0.02742 40 8D 0 -0.02888 0.20120 0.15211 0.06360 -0.16860 41 8D+1 -0.00215 0.20175 -0.16429 -0.16891 0.05524 42 8D-1 0.17574 0.04829 -0.08103 0.00755 0.04914 43 8D+2 -0.13335 0.09347 -0.20327 0.07091 -0.02388 44 8D-2 -0.11963 0.02305 0.13148 -0.05506 -0.05871 45 3 Cu 1S 0.01393 0.06784 0.08490 0.04371 -0.02559 46 2S 0.04658 0.13154 0.10287 0.04103 -0.07493 47 3S -0.30942 -0.68118 -2.74133 -2.50864 0.03477 48 4PX 0.00187 -0.00216 -0.00669 -0.00244 -0.00179 49 4PY -0.00237 0.00672 0.00630 -0.01368 -0.00642 50 4PZ 0.00019 0.00247 0.00926 0.00464 0.00244 51 5PX -0.03669 0.13097 0.55973 0.44907 0.09433 52 5PY 0.10537 -0.14956 0.08645 -0.14501 0.01755 53 5PZ 0.06419 -0.12453 -0.41892 -0.40918 -0.11344 54 6PX 0.27198 0.23758 -0.18259 0.16340 -0.31432 55 6PY -0.21851 0.39645 -0.66763 -0.14856 0.51627 56 6PZ -0.13791 -0.47574 -0.36449 -0.40495 -0.04889 57 7D 0 0.02964 0.10013 -0.03349 0.00704 -0.02296 58 7D+1 -0.05803 -0.07990 0.13415 0.03279 0.05693 59 7D-1 -0.06412 -0.06067 0.08109 0.00340 -0.08483 60 7D+2 -0.00133 -0.04040 -0.02962 -0.07927 -0.07298 61 7D-2 -0.00788 -0.09126 -0.01053 0.05454 0.11022 62 8D 0 -0.03446 -0.16077 0.05017 -0.03570 0.03582 63 8D+1 0.07637 0.13255 -0.17580 -0.01347 -0.09059 64 8D-1 0.09044 0.07607 -0.10713 -0.03649 0.11661 65 8D+2 -0.00190 0.04143 0.02532 0.09036 0.10023 66 8D-2 0.01630 0.14713 0.00908 -0.08021 -0.17431 67 4 Cu 1S -0.02637 0.04129 -0.14204 -0.05177 -0.00856 68 2S -0.03432 0.13480 -0.19068 -0.04401 -0.02532 69 3S 0.83566 1.49272 4.19278 2.63078 -0.07235 70 4PX -0.00187 -0.00763 -0.01641 -0.02276 -0.00651 71 4PY -0.00626 -0.00843 -0.00032 -0.00212 0.00051 72 4PZ -0.00709 -0.00880 -0.01048 0.00063 -0.00120 73 5PX 0.05470 0.05543 0.84657 0.38887 0.40293 74 5PY 0.15397 0.12879 0.12606 -0.10191 -0.34015 75 5PZ 0.38709 0.44713 0.72682 0.42621 -0.06778 76 6PX -0.00844 -0.11325 -0.13530 -0.21703 -0.17735 77 6PY 0.07626 -0.25181 0.31123 0.16980 0.01781 78 6PZ -0.00208 -0.05828 0.81530 0.52002 0.09040 79 7D 0 0.01261 0.12192 0.11047 -0.03781 -0.03449 80 7D+1 0.04688 0.17896 0.04072 0.06448 -0.00294 81 7D-1 -0.01156 0.05838 -0.05141 0.11599 0.03760 82 7D+2 0.01154 0.04446 -0.10458 -0.12028 -0.10212 83 7D-2 0.03735 0.12734 -0.05387 -0.05874 -0.04280 84 8D 0 0.00174 -0.16110 -0.13435 0.09090 0.04378 85 8D+1 -0.05990 -0.26656 -0.04393 -0.11045 0.01924 86 8D-1 0.01766 -0.07901 0.08459 -0.17461 -0.07762 87 8D+2 -0.00993 -0.06684 0.17519 0.18532 0.17496 88 8D-2 -0.04349 -0.17802 0.07413 0.07005 0.07782 89 5 Cu 1S 0.01847 0.12969 -0.01103 -0.02443 0.01751 90 2S 0.00821 0.20654 -0.03822 -0.03850 -0.03129 91 3S -0.90725 -2.73730 0.52254 0.47795 -1.30151 92 4PX -0.00084 -0.00796 0.00377 -0.00855 -0.00544 93 4PY -0.00193 0.00539 -0.00272 0.00574 0.00517 94 4PZ -0.00500 -0.00782 -0.00634 -0.00059 -0.00912 95 5PX -0.00559 0.19958 0.01865 -0.13106 0.39524 96 5PY 0.10792 -0.12768 0.28752 -0.13645 -0.21834 97 5PZ 0.25098 0.76729 0.07684 0.00515 0.27433 98 6PX 0.30630 0.10233 -0.13995 0.08691 -0.27221 99 6PY -0.53723 0.05950 0.35117 -0.19961 -0.17658 100 6PZ -0.28997 0.37561 -0.06278 -0.18999 0.01082 101 7D 0 -0.05433 -0.04079 -0.06183 0.03467 0.03375 102 7D+1 -0.05344 -0.03179 -0.15939 -0.05937 -0.10593 103 7D-1 -0.02986 -0.10339 0.00764 -0.09825 0.11650 104 7D+2 0.01657 -0.02720 -0.01263 -0.09158 0.01483 105 7D-2 0.04787 0.17438 -0.04949 -0.06814 0.19694 106 8D 0 0.06975 0.02464 0.09223 -0.05363 -0.03617 107 8D+1 0.07671 0.02441 0.24047 0.10433 0.14952 108 8D-1 0.03401 0.16184 -0.03400 0.14912 -0.17231 109 8D+2 -0.01636 0.04829 -0.01102 0.13820 -0.02817 110 8D-2 -0.06865 -0.26200 0.06807 0.09483 -0.30853 111 6 Cu 1S 0.01836 0.05120 0.01321 0.01867 -0.13886 112 2S 0.03994 0.09791 0.02457 0.02339 -0.16731 113 3S -0.09613 -0.49963 -0.44455 -0.71511 3.66651 114 4PX 0.00001 -0.00082 -0.00077 0.00597 -0.01189 115 4PY 0.00234 -0.00341 -0.00212 -0.00811 0.01880 116 4PZ 0.00054 -0.00898 0.00011 -0.00297 0.00066 117 5PX -0.00063 -0.14953 0.11342 -0.28062 0.82151 118 5PY 0.00333 0.09437 0.19375 0.01707 -0.76758 119 5PZ 0.11952 0.46139 0.16807 0.02947 0.13916 120 6PX -0.11321 0.02026 0.03990 -0.20641 0.39458 121 6PY 0.09024 0.18229 0.46162 0.29312 -0.15032 122 6PZ 0.23019 -0.26915 0.64802 0.68067 0.25127 123 7D 0 -0.03412 -0.07123 -0.04191 0.08554 0.07975 124 7D+1 -0.02582 -0.05460 -0.03423 -0.19200 0.02803 125 7D-1 -0.03799 -0.07751 0.14264 0.10842 -0.07229 126 7D+2 0.02733 0.00278 0.03572 -0.01245 0.03147 127 7D-2 -0.02388 -0.02324 0.02111 -0.08633 -0.21808 128 8D 0 0.04160 0.10449 0.05805 -0.14307 -0.14690 129 8D+1 0.03984 0.09408 0.05895 0.28410 -0.01644 130 8D-1 0.04108 0.08709 -0.22186 -0.16138 0.12556 131 8D+2 -0.03824 -0.02112 -0.02473 -0.00001 -0.04136 132 8D-2 0.03402 0.04913 -0.03326 0.14062 0.31050 133 7 Cu 1S 0.00606 0.04320 -0.00742 0.12787 -0.02496 134 2S -0.01915 0.06039 0.00958 0.18687 -0.03814 135 3S -1.32660 -1.01980 0.28821 -3.21991 0.63216 136 4PX 0.00752 0.00993 -0.00441 0.01154 -0.01648 137 4PY 0.00195 0.01796 -0.00357 0.00929 0.00023 138 4PZ -0.00720 -0.01209 0.00231 -0.00556 -0.00408 139 5PX -0.19224 -0.21164 0.37352 -0.64901 0.75318 140 5PY 0.02710 -0.28441 0.04162 -0.32927 -0.42018 141 5PZ 0.37199 0.65477 0.04466 0.47507 0.14708 142 6PX 0.03556 -0.12226 0.02857 -0.24570 0.40755 143 6PY -0.33875 0.08463 0.67981 -0.43546 -0.39618 144 6PZ 0.13360 0.47502 0.73253 0.64379 -0.11697 145 7D 0 0.03890 0.02375 0.19676 0.03042 -0.04445 146 7D+1 0.02312 -0.08475 -0.13224 -0.05182 0.00517 147 7D-1 0.02025 -0.07232 0.01523 -0.00644 0.02952 148 7D+2 -0.04889 -0.00224 0.01397 0.00288 -0.11639 149 7D-2 -0.02890 -0.09871 -0.01715 0.09441 -0.05492 150 8D 0 -0.06189 -0.03743 -0.31750 -0.06792 0.06804 151 8D+1 -0.01772 0.15146 0.17415 0.08851 -0.00724 152 8D-1 -0.02851 0.12518 -0.01345 0.02573 -0.03184 153 8D+2 0.06777 -0.00167 -0.01934 -0.02620 0.22254 154 8D-2 0.04799 0.12985 0.02697 -0.14791 0.09360 155 8 Cu 1S 0.02114 0.06639 -0.00090 0.03155 0.00734 156 2S 0.04428 0.09153 -0.03662 0.07309 0.01119 157 3S -0.12079 -1.82813 0.62843 0.54652 -0.42425 158 4PX -0.00178 -0.00508 0.00451 0.01061 -0.00218 159 4PY 0.00132 -0.00981 -0.00926 0.00522 0.00780 160 4PZ 0.00062 -0.00558 -0.00470 0.00720 -0.00549 161 5PX 0.00703 0.02803 -0.04103 -0.20571 0.33993 162 5PY -0.01958 0.14481 0.13392 -0.14429 -0.20661 163 5PZ 0.06599 0.56058 0.06731 -0.06101 0.16175 164 6PX 0.10699 -0.26808 0.66651 0.46057 0.23835 165 6PY -0.38327 0.08353 0.13755 -0.01299 -0.15382 166 6PZ 0.34942 0.08703 -0.25602 0.08870 0.13361 167 7D 0 0.00824 0.01611 -0.01911 -0.15840 0.01247 168 7D+1 -0.04033 -0.14792 0.00520 -0.05303 0.10325 169 7D-1 0.01988 -0.02548 -0.17498 0.05451 0.05342 170 7D+2 0.00850 0.13448 -0.03086 0.01998 0.10611 171 7D-2 0.02101 -0.01201 -0.04155 -0.07483 0.13076 172 8D 0 -0.01307 -0.05167 0.02026 0.21839 -0.01596 173 8D+1 0.05325 0.21360 -0.00197 0.08646 -0.17943 174 8D-1 -0.02769 0.01504 0.27529 -0.10710 -0.08594 175 8D+2 -0.01743 -0.21495 0.03761 -0.04403 -0.17808 176 8D-2 -0.02930 0.03265 0.06564 0.12788 -0.20637 177 9 C 1S 0.05355 -0.02627 0.00065 0.02294 0.00550 178 2S 0.32457 0.01259 -0.07371 -0.31541 -0.10613 179 3S -0.21259 -0.12650 0.07460 0.25432 0.08581 180 4PX -0.09333 -0.01096 0.06563 -0.05831 0.09603 181 4PY 0.40443 0.06184 0.01631 0.00843 -0.29093 182 4PZ 0.07976 0.04314 0.01246 0.06146 -0.04069 183 5PX 0.12729 -0.08658 -0.54173 0.36677 -0.36135 184 5PY -0.68397 0.15625 -0.10222 0.11866 0.21101 185 5PZ -0.19415 -0.13432 -0.00241 -0.44970 -0.16159 186 10 O 1S 0.00798 -0.00592 -0.00121 -0.00415 0.00108 187 2S 0.05995 -0.02562 -0.00311 0.01577 0.02018 188 3S -0.26670 0.18318 0.01175 -0.02947 -0.06709 189 4PX -0.26189 0.01561 -0.37142 0.24994 -0.15491 190 4PY 0.79378 -0.22106 -0.11583 0.19854 -0.14426 191 4PZ 0.07317 -0.07135 0.05844 -0.34163 -0.19371 192 5PX 0.34840 -0.03527 0.65302 -0.46788 0.35041 193 5PY -0.98076 0.43210 0.22840 -0.22564 0.00241 194 5PZ -0.06825 0.14411 -0.08508 0.61783 0.31182 151 152 153 154 155 V V V V V EIGENVALUES -- 0.74648 0.75095 0.77018 0.78431 0.78707 1 1 Cu 1S -0.08587 0.05148 -0.02677 0.12885 0.05074 2 2S -0.14337 0.05000 -0.03793 0.15985 0.08259 3 3S 1.87282 -2.81528 1.29772 -3.66163 -1.16664 4 4PX 0.00736 -0.00780 0.00792 -0.01296 -0.00692 5 4PY -0.01553 -0.00374 0.00121 -0.01954 -0.00587 6 4PZ 0.01424 -0.00215 0.00051 -0.00366 -0.00595 7 5PX -0.55822 0.21815 -0.31587 0.70852 0.02563 8 5PY 0.48708 0.32948 -0.04975 0.72775 0.31096 9 5PZ 0.25206 0.40541 -0.22826 0.02696 -0.28069 10 6PX -0.22272 -0.95590 -0.05388 0.32186 1.36359 11 6PY -0.18628 1.21151 -0.15876 0.95176 -0.92522 12 6PZ 0.80110 2.89269 0.46675 0.27414 -1.81542 13 7D 0 -0.04291 0.03029 -0.07601 -0.10973 -0.10127 14 7D+1 0.01429 -0.13781 0.02620 0.04618 0.01715 15 7D-1 -0.08064 -0.00699 0.03478 -0.01979 0.06224 16 7D+2 -0.08598 0.02597 0.04103 -0.10637 0.02075 17 7D-2 -0.06472 -0.05587 -0.04937 0.14084 0.03792 18 8D 0 0.10728 -0.05040 0.11214 0.14712 0.14195 19 8D+1 -0.05491 0.23014 -0.03328 -0.02003 -0.01453 20 8D-1 0.12625 0.00590 -0.02782 -0.01814 -0.10944 21 8D+2 0.16491 -0.04735 -0.04862 0.16489 0.01928 22 8D-2 0.09953 0.08720 0.08323 -0.23120 -0.04947 23 2 Cu 1S -0.00420 -0.01077 -0.00226 -0.00579 -0.04337 24 2S 0.02822 -0.02584 -0.00024 -0.01011 0.01812 25 3S 2.85451 -0.49582 -0.08105 0.82479 3.25646 26 4PX 0.00972 -0.00480 -0.00622 0.00015 0.02657 27 4PY -0.04562 0.01333 -0.00272 -0.01602 -0.03207 28 4PZ -0.01324 -0.01402 0.00064 -0.00715 -0.00074 29 5PX -0.38146 0.02888 0.33488 0.35068 -0.85719 30 5PY 0.96906 -0.10388 -0.14192 0.59723 0.98228 31 5PZ 0.57264 0.40639 -0.36539 0.23540 -0.01904 32 6PX -0.33668 0.25944 -0.08366 0.24253 -0.48971 33 6PY 0.05568 0.28418 -0.28486 0.33801 0.05054 34 6PZ -0.66069 -0.81104 -0.01738 -0.15262 0.66100 35 7D 0 0.00651 -0.04039 0.06076 -0.04676 0.04355 36 7D+1 0.03192 -0.17004 -0.11741 -0.10382 -0.01495 37 7D-1 0.05430 -0.00265 -0.08833 0.06063 -0.04966 38 7D+2 -0.04996 0.09023 -0.06444 -0.04155 -0.00748 39 7D-2 -0.07149 0.03445 0.03384 0.04493 -0.11827 40 8D 0 -0.03445 0.05736 -0.11436 0.08864 -0.08818 41 8D+1 -0.06440 0.31267 0.19145 0.20034 0.01242 42 8D-1 -0.09483 -0.00525 0.13581 -0.11135 0.10257 43 8D+2 0.07315 -0.16021 0.09561 0.03605 -0.02631 44 8D-2 0.08509 -0.06660 -0.06738 -0.04894 0.20037 45 3 Cu 1S 0.02624 -0.12215 0.03548 0.00106 0.01940 46 2S 0.03947 -0.22200 0.08524 -0.01300 0.00663 47 3S -0.40539 3.96291 -0.27794 0.35979 -1.85511 48 4PX 0.00129 0.01246 0.00022 -0.00126 -0.00474 49 4PY 0.00084 -0.00525 0.00168 -0.00431 -0.00367 50 4PZ -0.00046 -0.00868 0.00305 -0.00100 0.00445 51 5PX -0.01922 -0.55712 -0.02261 0.02511 0.26542 52 5PY 0.08137 0.06108 -0.02914 0.11508 0.13443 53 5PZ -0.11260 0.70067 -0.10877 -0.00564 -0.32125 54 6PX 0.20994 -0.12012 0.17414 -0.18485 -0.30878 55 6PY 0.25789 0.71425 0.11508 -0.01115 -0.40956 56 6PZ -0.24499 0.61338 0.01211 0.17719 -0.36392 57 7D 0 -0.05653 0.11330 0.13377 -0.07587 0.05035 58 7D+1 -0.01669 0.16616 -0.00520 0.12079 0.04164 59 7D-1 0.07418 -0.06288 -0.11443 -0.12056 -0.05292 60 7D+2 0.04555 -0.08659 -0.01647 0.04579 -0.05266 61 7D-2 0.05021 -0.07765 0.13573 -0.06210 0.02485 62 8D 0 0.07125 -0.15184 -0.21957 0.11408 -0.08768 63 8D+1 0.04358 -0.31206 0.00924 -0.20478 -0.04440 64 8D-1 -0.11453 0.11402 0.17011 0.19477 0.08778 65 8D+2 -0.06152 0.13295 0.02695 -0.07189 0.08064 66 8D-2 -0.08044 0.12749 -0.21518 0.10964 -0.04559 67 4 Cu 1S 0.01500 0.05366 0.01856 -0.02585 0.00067 68 2S 0.01217 0.04479 0.00116 -0.03312 -0.00527 69 3S -0.20171 -2.26321 -1.06799 0.27302 0.33113 70 4PX 0.00111 0.00666 0.00435 0.00070 0.00059 71 4PY -0.00043 -0.00366 0.00969 0.00139 -0.00996 72 4PZ 0.00405 0.00933 0.00296 0.00059 0.00798 73 5PX -0.18860 -0.29632 -0.20585 0.22589 -0.19710 74 5PY -0.03450 -0.00910 -0.17330 0.39861 0.44817 75 5PZ -0.09459 -0.29420 -0.26974 -0.09046 0.07044 76 6PX -0.54170 0.18542 0.22954 0.03200 -0.07956 77 6PY 0.58227 -0.16787 0.14289 0.17652 0.11600 78 6PZ 0.02865 -0.57152 -0.44973 -0.05206 0.49716 79 7D 0 -0.11068 0.06812 -0.05739 0.11397 -0.00510 80 7D+1 -0.03546 -0.10233 0.01942 -0.08440 0.15417 81 7D-1 -0.04547 -0.02709 0.11400 0.06499 -0.11500 82 7D+2 0.01281 -0.13956 -0.07801 0.03800 -0.05028 83 7D-2 -0.00517 -0.00199 0.01419 0.03192 0.03465 84 8D 0 0.18446 -0.11381 0.07981 -0.21555 0.03904 85 8D+1 0.03654 0.17730 -0.03927 0.14847 -0.26885 86 8D-1 0.05843 0.05023 -0.18080 -0.06313 0.19723 87 8D+2 -0.01610 0.18816 0.11284 -0.06379 0.08884 88 8D-2 0.00953 -0.00094 -0.02854 -0.03795 -0.03781 89 5 Cu 1S 0.02694 0.01050 -0.03198 0.07713 -0.01529 90 2S 0.06488 0.02802 -0.03936 0.13136 -0.06356 91 3S 0.01226 -0.43695 0.51975 -1.89989 -0.26222 92 4PX -0.00457 0.00100 0.00085 -0.00079 -0.00714 93 4PY 0.00314 -0.00394 0.00157 -0.00101 -0.00364 94 4PZ -0.00645 -0.00022 0.00386 -0.01114 -0.00374 95 5PX -0.31258 0.04737 -0.09406 0.40417 0.08144 96 5PY 0.24630 0.25579 0.02479 0.21780 0.03562 97 5PZ 0.20277 0.12322 -0.12824 0.37942 0.12039 98 6PX -0.05929 0.17647 -0.10183 0.26874 -0.19792 99 6PY -0.46530 -0.71142 -0.03336 -0.26366 0.43078 100 6PZ -0.14109 -0.46107 0.14919 0.10533 0.47252 101 7D 0 0.17782 -0.11840 -0.08594 0.03220 -0.07784 102 7D+1 0.07776 0.18576 0.13365 0.04731 0.00982 103 7D-1 -0.11240 -0.00785 0.02217 0.02602 0.12553 104 7D+2 0.10788 -0.06970 0.06315 0.16133 0.00659 105 7D-2 0.07445 0.04687 -0.12657 -0.06867 0.01934 106 8D 0 -0.29500 0.17801 0.13046 -0.05487 0.11860 107 8D+1 -0.09827 -0.30748 -0.20619 -0.09842 -0.01442 108 8D-1 0.15829 -0.00194 -0.02547 -0.05621 -0.21556 109 8D+2 -0.14303 0.11904 -0.09813 -0.28473 0.00372 110 8D-2 -0.11128 -0.09053 0.20833 0.12029 -0.02967 111 6 Cu 1S -0.00252 -0.05146 0.02752 0.04510 0.00162 112 2S -0.03124 -0.06282 0.05820 0.07026 -0.03780 113 3S 0.05669 1.66180 -0.19559 -1.23380 -0.42966 114 4PX 0.00522 -0.01090 -0.00260 -0.00066 0.00664 115 4PY 0.00381 0.00885 -0.00176 -0.00241 -0.00293 116 4PZ 0.01144 -0.00811 -0.00470 -0.00661 -0.00155 117 5PX -0.20718 0.45768 -0.07656 0.06267 -0.12003 118 5PY -0.05079 -0.23303 -0.04950 0.40694 0.20569 119 5PZ -0.05664 0.04675 -0.15123 -0.09270 0.12173 120 6PX 0.34435 0.17983 0.12608 -0.21751 0.07884 121 6PY 0.25583 -0.35699 0.01874 0.26918 -0.02954 122 6PZ 0.48999 -0.30634 0.06583 0.09634 -0.13646 123 7D 0 0.01298 -0.02758 -0.06679 0.11065 0.17197 124 7D+1 -0.02586 0.05677 -0.23191 -0.00304 -0.00746 125 7D-1 0.05211 0.07617 0.07450 0.02092 -0.02118 126 7D+2 0.14149 0.00123 0.07118 -0.14152 0.21448 127 7D-2 0.12315 0.04224 -0.01466 -0.02177 0.04205 128 8D 0 -0.00415 0.04877 0.09895 -0.17763 -0.28582 129 8D+1 0.06017 -0.09048 0.34962 -0.01039 0.03184 130 8D-1 -0.07685 -0.10702 -0.10421 -0.01699 0.03285 131 8D+2 -0.22442 0.01055 -0.12935 0.25249 -0.32623 132 8D-2 -0.19936 -0.08235 0.01303 0.04406 -0.05914 133 7 Cu 1S 0.09193 -0.07868 -0.00778 -0.13631 0.03136 134 2S 0.12569 -0.11448 -0.00715 -0.14012 0.01219 135 3S -2.76634 1.86495 0.69885 4.63497 -1.81087 136 4PX 0.02685 -0.00528 -0.00234 -0.01589 0.01195 137 4PY 0.00453 0.00223 -0.00663 -0.02105 0.00304 138 4PZ 0.00401 0.01182 0.00363 0.00645 -0.01472 139 5PX -0.81673 0.51878 0.16497 0.93984 -0.40375 140 5PY -0.02126 -0.02672 -0.06643 0.82827 0.11759 141 5PZ 0.30757 -0.45536 -0.09161 -0.34668 0.47302 142 6PX -0.55302 0.36912 -0.37360 0.67741 -0.50436 143 6PY 0.05158 -0.21403 0.29514 0.03712 0.55542 144 6PZ 0.16274 -0.51857 -0.52776 -0.41725 0.30947 145 7D 0 0.00168 0.01400 -0.07053 0.00315 0.06504 146 7D+1 0.01709 -0.01793 0.11768 -0.00064 -0.06898 147 7D-1 0.03756 -0.04201 0.07257 -0.02546 0.10338 148 7D+2 0.15214 0.11171 0.06274 0.02451 0.15363 149 7D-2 0.01039 -0.09854 0.03241 0.08016 0.04716 150 8D 0 -0.00235 0.01052 0.10240 -0.01320 -0.10656 151 8D+1 0.00622 0.00841 -0.18151 0.01416 0.13836 152 8D-1 -0.03705 0.07397 -0.10165 0.00459 -0.17286 153 8D+2 -0.23977 -0.13692 -0.07704 -0.01596 -0.23298 154 8D-2 0.00002 0.16054 -0.06074 -0.11107 -0.05070 155 8 Cu 1S 0.05127 -0.03741 0.04907 -0.03692 -0.05432 156 2S 0.07345 -0.08538 0.09882 -0.13058 -0.09066 157 3S -1.36173 -1.51716 -0.78984 0.58041 2.00294 158 4PX 0.00033 -0.00103 0.00805 -0.00145 -0.00749 159 4PY -0.00467 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0.51663 179 3S -0.35500 0.22048 -0.35132 0.04495 -0.40546 180 4PX -0.00250 0.02920 0.05075 -0.03954 -0.05164 181 4PY 0.13382 -0.04609 -0.07405 0.12645 -0.07523 182 4PZ 0.07102 0.00223 -0.02010 0.02717 -0.00896 183 5PX -0.23484 -0.00325 -0.35106 -0.09761 0.63714 184 5PY 0.06553 0.08583 -0.13503 -0.03456 0.31446 185 5PZ -0.49778 -0.38339 0.17177 -0.19919 0.23659 186 10 O 1S 0.00181 -0.00096 0.00250 -0.00015 0.00272 187 2S -0.01940 0.02544 -0.01637 0.00110 0.01921 188 3S 0.11576 -0.07112 0.02481 0.01697 0.03490 189 4PX -0.19627 0.01998 -0.20654 -0.00810 0.33781 190 4PY -0.01682 0.11187 -0.18242 0.09984 0.00326 191 4PZ -0.37854 -0.28057 0.08213 -0.10785 0.11383 192 5PX 0.34726 -0.03017 0.41717 0.03051 -0.64565 193 5PY 0.02700 -0.22989 0.24918 -0.10737 -0.22723 194 5PZ 0.69337 0.52263 -0.17994 0.22700 -0.26182 156 157 158 159 160 V V V V V EIGENVALUES -- 0.80472 0.83430 0.84999 0.85916 0.86797 1 1 Cu 1S -0.03072 0.03951 0.02245 -0.03944 -0.00838 2 2S -0.07484 0.03721 0.02028 -0.00908 0.03721 3 3S 0.57867 -0.58018 -2.03158 3.62941 1.79358 4 4PX -0.01264 -0.00636 -0.00928 0.02801 0.00431 5 4PY 0.01068 -0.00498 -0.00890 0.01607 0.01720 6 4PZ -0.01851 0.00354 0.00269 -0.00246 -0.00709 7 5PX 0.49770 -0.01089 0.42001 -0.43985 -0.31025 8 5PY -0.41222 0.38816 0.27047 -0.99535 -0.31232 9 5PZ 0.35379 0.27417 -0.67502 -0.57047 0.59084 10 6PX -0.13377 -0.98113 0.74009 0.12511 -0.11841 11 6PY -0.13701 0.82820 -0.51831 -1.11202 -0.07905 12 6PZ -0.39749 1.99578 -1.43803 -1.46497 0.80496 13 7D 0 0.02308 0.08959 0.09301 0.04633 -0.05575 14 7D+1 -0.09911 -0.01529 -0.08828 0.00494 0.05278 15 7D-1 0.01389 -0.03692 0.20372 0.02516 0.04439 16 7D+2 -0.09716 0.05144 0.03999 0.01394 0.14415 17 7D-2 -0.06231 -0.04420 0.02579 0.02876 0.03378 18 8D 0 -0.00537 -0.15980 -0.15304 -0.07870 0.07181 19 8D+1 0.13574 0.03923 0.12583 -0.02333 -0.11386 20 8D-1 -0.02795 0.06758 -0.30014 -0.01718 -0.07503 21 8D+2 0.12371 -0.07997 -0.06125 -0.03523 -0.25680 22 8D-2 0.09294 0.04766 -0.06715 -0.03543 -0.07118 23 2 Cu 1S -0.03388 -0.07829 0.03157 -0.08426 -0.00017 24 2S -0.10947 -0.18044 0.04195 -0.18501 -0.09457 25 3S 1.35044 1.36250 -1.48494 2.10899 -1.25870 26 4PX 0.01108 0.01317 0.00042 -0.00540 -0.01097 27 4PY -0.02691 -0.00982 0.00933 -0.01302 0.00895 28 4PZ 0.00139 -0.00323 0.00247 -0.01196 -0.02933 29 5PX 0.18921 0.11302 -0.00505 0.57131 0.49062 30 5PY -0.40048 -1.06948 0.15138 -1.41745 -1.04034 31 5PZ -0.37852 -0.15712 0.12488 -0.05623 0.93700 32 6PX -0.00977 -0.01310 -0.15403 -0.45020 0.20157 33 6PY 0.13137 -0.07132 -0.02299 -0.05452 -0.26500 34 6PZ 0.12899 -0.43966 0.22922 0.28383 0.17430 35 7D 0 -0.09960 0.11569 0.03662 0.05545 0.06495 36 7D+1 0.10031 -0.02175 0.13069 0.04618 0.08003 37 7D-1 -0.01294 0.01799 0.07752 0.02975 0.14133 38 7D+2 -0.01210 0.11181 0.03039 0.00613 0.06822 39 7D-2 0.07739 -0.03901 -0.03082 0.13400 -0.01511 40 8D 0 0.14879 -0.27566 -0.05354 -0.13800 -0.11750 41 8D+1 -0.18778 0.04273 -0.23301 -0.11239 -0.15970 42 8D-1 0.05066 0.00972 -0.14778 -0.01969 -0.22838 43 8D+2 -0.03264 -0.30130 -0.03045 -0.09681 -0.12356 44 8D-2 -0.17336 0.03040 0.08223 -0.31312 0.02531 45 3 Cu 1S 0.05986 -0.07179 -0.02192 0.07257 -0.00771 46 2S 0.12585 -0.14629 -0.06273 0.12706 -0.01443 47 3S -1.12723 2.02704 -0.79522 -3.00941 0.37619 48 4PX 0.00134 0.00906 -0.00308 -0.00396 -0.00364 49 4PY 0.00566 -0.00453 0.00896 -0.00769 0.00006 50 4PZ 0.00941 0.00111 0.00873 0.01581 -0.00746 51 5PX -0.00927 -0.27418 0.21540 0.23004 0.17713 52 5PY 0.14589 0.13798 -0.17078 -0.02484 -0.20112 53 5PZ -0.19125 0.38107 -0.12081 -0.56750 0.29368 54 6PX 0.15976 0.25463 -0.21860 0.30340 0.06461 55 6PY -0.05829 0.41284 -0.36028 -0.24204 0.10446 56 6PZ -0.14700 0.30783 -0.00009 -0.49584 -0.30367 57 7D 0 0.20739 -0.10153 0.07776 0.07091 0.03649 58 7D+1 0.06141 0.05508 -0.03091 -0.16659 0.13483 59 7D-1 0.08250 0.07660 0.20321 -0.03011 -0.01224 60 7D+2 0.12975 -0.08799 -0.09087 -0.05032 0.33003 61 7D-2 0.12698 0.10154 -0.06361 -0.21856 -0.06281 62 8D 0 -0.35019 0.21544 -0.10975 -0.12950 -0.07558 63 8D+1 -0.11737 -0.12670 0.05318 0.31694 -0.24659 64 8D-1 -0.11941 -0.12363 -0.34203 0.04459 0.01909 65 8D+2 -0.21642 0.16225 0.15041 0.08758 -0.60971 66 8D-2 -0.23194 -0.18567 0.09987 0.41216 0.12312 67 4 Cu 1S -0.00949 0.02895 -0.04705 -0.03606 -0.07407 68 2S -0.00645 0.02248 -0.05791 -0.06016 -0.04699 69 3S 0.27323 -1.56794 1.80213 1.12445 3.36757 70 4PX -0.00172 -0.00306 -0.00894 0.00270 -0.02191 71 4PY -0.00262 0.00139 0.00589 -0.01391 0.00291 72 4PZ -0.00079 0.01231 -0.01012 -0.00995 -0.01030 73 5PX 0.05644 0.04333 0.25580 -0.10035 0.77160 74 5PY 0.09485 0.06434 -0.01582 0.02063 -0.22953 75 5PZ 0.16506 -0.33885 0.41476 0.30144 0.56569 76 6PX 0.10609 -0.07650 0.19414 -0.11282 -0.14824 77 6PY -0.03092 0.32921 0.12879 0.32553 0.04524 78 6PZ -0.08768 -0.56855 0.50848 0.26306 0.57801 79 7D 0 0.06910 0.12386 -0.05982 -0.03808 -0.09756 80 7D+1 -0.08903 -0.03375 0.06722 0.02238 -0.00828 81 7D-1 -0.00221 -0.08363 -0.00037 0.07485 -0.00319 82 7D+2 -0.01415 0.02429 -0.12476 -0.11940 0.13415 83 7D-2 -0.10081 0.01495 0.01915 0.08115 0.13154 84 8D 0 -0.10082 -0.23356 0.12554 0.09066 0.16054 85 8D+1 0.14059 0.08749 -0.10805 -0.06089 0.03360 86 8D-1 -0.00161 0.13831 0.00921 -0.12969 0.00415 87 8D+2 0.02026 -0.03930 0.21946 0.21056 -0.21082 88 8D-2 0.17314 -0.02494 -0.04189 -0.17377 -0.25590 89 5 Cu 1S 0.01120 -0.00623 -0.01389 -0.00107 0.02569 90 2S -0.00307 0.01275 -0.02257 0.00082 0.04600 91 3S -0.96892 -0.27203 0.69252 -0.70255 -1.14872 92 4PX -0.00675 0.01449 -0.00712 0.00583 -0.00854 93 4PY 0.00016 -0.00183 -0.00404 -0.01301 -0.00668 94 4PZ -0.00433 0.00442 0.00841 -0.01137 -0.00314 95 5PX 0.05684 -0.01116 0.11010 -0.20546 0.04688 96 5PY -0.18076 0.14589 -0.05530 0.07858 0.01413 97 5PZ 0.23480 -0.17236 -0.37208 0.15208 0.33717 98 6PX 0.09076 0.14326 0.01104 0.05645 0.03585 99 6PY 0.17839 0.01631 0.02745 0.16126 -0.03788 100 6PZ 0.25339 0.17996 -0.05449 0.43955 0.00266 101 7D 0 -0.04886 0.06140 -0.02862 0.05228 -0.04568 102 7D+1 0.03655 -0.00818 0.05093 -0.02982 0.07393 103 7D-1 -0.07314 0.01014 0.15341 0.06430 0.11882 104 7D+2 0.00152 -0.04610 0.18209 -0.02286 -0.09943 105 7D-2 0.07333 -0.04101 0.02853 -0.10623 0.01648 106 8D 0 0.07709 -0.07748 0.06337 -0.08838 0.07963 107 8D+1 -0.05438 -0.00294 -0.06778 0.06641 -0.13481 108 8D-1 0.13849 -0.02054 -0.25976 -0.11359 -0.18619 109 8D+2 0.01226 0.05666 -0.30244 0.04169 0.19124 110 8D-2 -0.12821 0.07425 -0.03247 0.19677 -0.03236 111 6 Cu 1S -0.00505 0.05858 0.04449 0.03758 0.06200 112 2S 0.01957 0.09058 0.06596 0.07135 0.10773 113 3S 0.49562 -1.41488 -1.22517 -1.98580 -1.40125 114 4PX -0.00295 0.00066 0.00280 0.00470 0.01098 115 4PY 0.00717 -0.00363 -0.00319 -0.01388 -0.00239 116 4PZ -0.00447 -0.00316 -0.00115 0.00165 -0.00124 117 5PX 0.21755 -0.09933 -0.17223 -0.39030 -0.29480 118 5PY -0.15231 0.36329 0.07991 0.25542 0.20359 119 5PZ 0.06203 -0.19365 -0.15402 0.05000 0.16049 120 6PX -0.03383 0.01075 -0.17257 -0.12526 0.00583 121 6PY -0.07205 -0.19254 0.33386 0.26235 0.31362 122 6PZ 0.11799 -0.11779 0.05347 0.16537 0.00510 123 7D 0 0.11438 -0.12542 0.03356 0.04024 -0.05616 124 7D+1 -0.03654 -0.11694 -0.04548 0.11428 -0.03825 125 7D-1 0.02708 -0.14313 -0.00660 0.09151 -0.04158 126 7D+2 -0.05035 -0.03565 -0.06648 -0.06383 0.07348 127 7D-2 -0.05361 0.00608 -0.05403 -0.05878 -0.11532 128 8D 0 -0.20298 0.21185 -0.07889 -0.06813 0.10026 129 8D+1 0.05875 0.17326 0.05446 -0.19979 0.07233 130 8D-1 -0.04084 0.25743 0.00842 -0.17383 0.05636 131 8D+2 0.09124 0.06329 0.10834 0.10354 -0.12412 132 8D-2 0.08647 -0.00423 0.09757 0.12036 0.22660 133 7 Cu 1S -0.01031 -0.09702 -0.01822 0.03499 0.02990 134 2S -0.03527 -0.11747 -0.03329 -0.00764 0.04327 135 3S -0.16712 2.82789 0.10441 -1.77042 -0.87692 136 4PX 0.00008 -0.01432 0.00097 0.00625 0.00844 137 4PY -0.00205 -0.02486 0.00389 0.00327 0.00219 138 4PZ -0.00210 -0.00582 0.00308 -0.00137 0.00879 139 5PX 0.13065 0.37813 0.15158 -0.38164 -0.13124 140 5PY -0.08566 0.76454 0.05831 -0.23625 -0.13652 141 5PZ 0.12977 -0.54577 0.13380 0.18410 0.26813 142 6PX 0.01282 0.39464 -0.10761 -0.48263 -0.01062 143 6PY 0.01824 0.21572 0.10515 0.51613 0.06716 144 6PZ 0.20135 -0.43503 -0.01760 0.51437 0.29219 145 7D 0 0.09309 0.04157 -0.00860 -0.00552 -0.03856 146 7D+1 0.08160 -0.05224 0.12244 0.00263 -0.02971 147 7D-1 -0.03286 -0.00977 -0.06080 -0.03315 -0.02616 148 7D+2 -0.00039 -0.08258 0.08704 -0.04614 0.03086 149 7D-2 0.02502 -0.05755 -0.02957 0.03319 0.03026 150 8D 0 -0.14543 -0.04387 -0.02963 -0.00868 0.04188 151 8D+1 -0.12360 0.05752 -0.19058 -0.00324 0.06235 152 8D-1 0.05109 -0.01790 0.09943 0.06364 0.06493 153 8D+2 0.01260 0.12311 -0.13886 0.06952 -0.05765 154 8D-2 -0.03290 0.09325 0.06310 -0.07574 -0.07304 155 8 Cu 1S 0.00743 -0.01050 -0.08814 -0.04522 0.01266 156 2S 0.01994 -0.06573 -0.18195 -0.05912 0.01771 157 3S -0.02333 -1.73063 2.74312 1.46221 -0.71529 158 4PX 0.00576 0.00382 0.00808 0.00250 -0.00488 159 4PY -0.00205 -0.00571 0.00685 0.00780 -0.00217 160 4PZ -0.00252 -0.00857 -0.00601 -0.00158 -0.00255 161 5PX 0.01085 -0.01581 0.02424 -0.10185 -0.07593 162 5PY -0.03340 0.33862 -0.30295 -0.16993 0.08592 163 5PZ 0.02278 0.32273 -0.49692 -0.32585 0.24588 164 6PX 0.14248 -0.45350 0.16645 0.34009 -0.11541 165 6PY 0.03864 -0.00374 -0.15516 0.15528 -0.05361 166 6PZ -0.08331 -0.16333 -0.30031 -0.39730 -0.05239 167 7D 0 -0.09489 -0.06267 0.04829 0.01694 -0.05988 168 7D+1 -0.01822 -0.20902 -0.19424 0.08221 -0.03201 169 7D-1 0.13352 0.00485 -0.03043 -0.04339 0.02587 170 7D+2 0.18016 -0.04483 0.07378 -0.03743 -0.00875 171 7D-2 -0.03698 0.05124 0.09004 -0.05835 -0.06161 172 8D 0 0.18188 0.10056 -0.04247 -0.01243 0.08995 173 8D+1 0.02192 0.34311 0.31525 -0.14205 0.06438 174 8D-1 -0.22299 -0.01263 0.10322 0.08886 -0.06646 175 8D+2 -0.31301 0.07338 -0.12770 0.08132 0.00334 176 8D-2 0.06229 -0.10035 -0.17765 0.10509 0.12261 177 9 C 1S -0.03135 -0.02519 0.01478 -0.02819 0.00031 178 2S 0.70904 0.94495 -0.41686 1.09701 0.05138 179 3S -1.28400 -1.90274 0.78221 -2.37252 -0.40404 180 4PX -0.00592 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0.07319 0.18210 0.10500 25 3S 1.22987 4.20861 0.53299 1.69568 1.49820 26 4PX 0.00005 0.01184 0.00607 0.02328 -0.01253 27 4PY -0.00987 -0.03279 -0.00793 -0.02220 -0.02100 28 4PZ -0.01934 -0.01565 -0.00889 -0.00106 0.01596 29 5PX -0.28910 -0.79624 -0.41632 -0.81915 -0.01577 30 5PY 1.48479 1.55327 0.68354 1.46458 0.86638 31 5PZ 0.54266 0.45098 0.65714 0.65893 0.19920 32 6PX -0.15958 -0.01220 -0.34362 -0.51605 0.38935 33 6PY 0.16937 0.68492 0.16507 0.03818 0.03851 34 6PZ 0.02911 -0.09575 0.31777 0.74519 -0.38423 35 7D 0 0.08761 -0.11119 -0.03990 0.07089 0.06771 36 7D+1 0.12617 0.04976 -0.15839 -0.06191 -0.04179 37 7D-1 0.02053 0.01963 0.14424 0.01474 -0.05438 38 7D+2 -0.21930 0.08643 -0.02523 -0.02865 -0.01284 39 7D-2 0.04786 -0.03129 0.09709 -0.07598 -0.03090 40 8D 0 -0.13879 0.21146 0.10041 -0.11517 -0.14149 41 8D+1 -0.23372 -0.10845 0.29544 0.11394 0.07085 42 8D-1 -0.06551 -0.03032 -0.27299 -0.00632 0.14198 43 8D+2 0.43571 -0.17303 0.08673 0.08171 0.01254 44 8D-2 -0.07341 0.01006 -0.19455 0.17044 0.05053 45 3 Cu 1S 0.00719 0.00204 -0.04235 0.00491 -0.09609 46 2S 0.00018 -0.03687 -0.05876 0.03357 -0.16856 47 3S -0.43433 -1.29885 -0.36650 -0.34941 3.22596 48 4PX 0.00517 -0.00586 -0.00240 0.00250 0.00675 49 4PY -0.00489 -0.00085 0.00156 0.00879 0.00949 50 4PZ 0.00548 0.00543 -0.00066 0.00315 -0.00349 51 5PX 0.00806 0.09723 -0.08220 -0.01054 -0.32912 52 5PY 0.05846 0.17447 -0.17184 0.01421 0.39833 53 5PZ -0.22698 -0.47768 -0.12548 0.07659 0.79052 54 6PX -0.08687 -0.39683 -0.38258 -0.35134 0.20613 55 6PY -0.19728 0.09471 -0.20506 -0.52020 0.57033 56 6PZ 0.01057 -0.29806 -0.11650 -0.26764 0.17952 57 7D 0 0.07209 0.12113 0.02760 0.11884 -0.07221 58 7D+1 0.02087 0.12447 -0.05189 -0.07454 0.09115 59 7D-1 -0.07006 0.00584 0.15879 -0.01628 -0.19316 60 7D+2 -0.06960 0.06869 -0.00334 0.07431 0.04557 61 7D-2 -0.04648 -0.00148 0.23556 -0.02357 -0.10710 62 8D 0 -0.14684 -0.25477 -0.06380 -0.22332 0.20106 63 8D+1 -0.02358 -0.21722 0.08844 0.14067 -0.22496 64 8D-1 0.12550 0.00391 -0.30912 0.05306 0.43984 65 8D+2 0.11928 -0.12740 0.01601 -0.15390 -0.09150 66 8D-2 0.08771 -0.01338 -0.45628 0.03652 0.19714 67 4 Cu 1S 0.03146 0.07189 0.03273 -0.08601 -0.01460 68 2S 0.01110 0.06219 0.01932 -0.14269 0.01794 69 3S -0.64777 -2.76176 -1.17536 1.67419 1.29932 70 4PX -0.00451 0.01275 0.00129 -0.01560 -0.01441 71 4PY -0.00142 0.00344 0.01446 0.00268 -0.00531 72 4PZ 0.01115 0.01194 0.00922 -0.00386 0.00022 73 5PX -0.12426 -0.22732 -0.26253 -0.04409 0.07287 74 5PY -0.05267 -0.02583 -0.18420 0.35520 0.32246 75 5PZ -0.23792 -0.72192 -0.25642 0.42174 0.51864 76 6PX -0.19570 -0.58506 -0.43125 -0.52483 0.06498 77 6PY 0.15210 -0.03954 -0.23581 -0.02065 -0.00016 78 6PZ 0.02908 -0.01849 0.37920 0.83138 -0.19660 79 7D 0 0.06536 -0.14914 0.02794 -0.03039 -0.01854 80 7D+1 -0.00204 0.12590 -0.03985 -0.09246 -0.04143 81 7D-1 -0.18459 0.05665 0.06680 -0.01158 0.01356 82 7D+2 -0.06399 -0.04099 0.06362 -0.04439 0.01095 83 7D-2 0.05257 -0.13553 0.15533 -0.07439 -0.07022 84 8D 0 -0.09672 0.23576 -0.04280 0.09321 0.06300 85 8D+1 -0.01131 -0.23334 0.05255 0.15285 0.09068 86 8D-1 0.31315 -0.10274 -0.12580 0.04968 -0.01005 87 8D+2 0.10964 0.09060 -0.12921 0.07305 -0.02735 88 8D-2 -0.09291 0.28074 -0.27368 0.15849 0.15383 89 5 Cu 1S -0.01938 0.00740 0.05270 0.09072 -0.00606 90 2S -0.02222 -0.05557 0.08166 0.11072 -0.06849 91 3S 0.57736 -1.45991 -1.25472 -2.07692 -1.10551 92 4PX 0.00381 -0.00549 0.00057 0.00371 -0.00442 93 4PY 0.00683 0.00920 -0.00246 0.01304 0.00516 94 4PZ 0.00111 -0.01310 -0.00518 -0.01605 -0.00213 95 5PX -0.26971 0.07832 0.04449 0.18124 0.09383 96 5PY 0.10135 0.10839 -0.01094 -0.31237 -0.13922 97 5PZ 0.03742 0.59554 0.30397 0.55724 0.48476 98 6PX 0.12621 -0.16964 0.19684 0.33219 -0.03145 99 6PY 0.13474 -0.03219 -0.14140 0.19499 -0.10963 100 6PZ -0.14073 0.28599 0.10035 0.26228 -0.13919 101 7D 0 0.04910 0.01216 0.05115 0.09582 0.09140 102 7D+1 0.01673 -0.06772 -0.08148 0.06573 -0.15699 103 7D-1 0.12313 0.00844 0.07726 0.02152 0.05459 104 7D+2 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0.02971 0.09536 124 7D+1 -0.07566 -0.06264 0.01753 0.05307 -0.11527 125 7D-1 -0.19100 -0.10384 -0.03146 0.15076 0.03589 126 7D+2 0.00486 -0.11847 0.03593 -0.03927 -0.01022 127 7D-2 0.09703 0.11901 -0.02620 -0.07852 0.00077 128 8D 0 0.02226 -0.07831 -0.25428 -0.08144 -0.18009 129 8D+1 0.14349 0.11890 -0.03627 -0.15185 0.22961 130 8D-1 0.33828 0.20248 0.06440 -0.29551 -0.07193 131 8D+2 -0.01614 0.18299 -0.07642 0.05686 0.00766 132 8D-2 -0.18671 -0.26367 0.04549 0.15378 0.01430 133 7 Cu 1S 0.03432 0.03052 0.00162 0.03982 0.02486 134 2S 0.02867 0.01663 -0.06589 0.00398 0.01278 135 3S -1.37401 -1.63691 -1.03177 -1.84369 -1.06458 136 4PX 0.00683 0.01482 0.01086 0.00924 0.00778 137 4PY 0.01559 0.00451 0.00549 0.01680 0.00409 138 4PZ -0.00549 -0.00190 -0.00578 -0.00525 -0.00337 139 5PX -0.64640 -0.37855 -0.37595 -0.57865 -0.25494 140 5PY 0.10011 0.04997 -0.16706 -0.02656 -0.04523 141 5PZ -0.05725 0.24678 0.06568 0.48824 0.47795 142 6PX 0.10258 0.01098 0.03808 -0.10461 -0.02384 143 6PY -0.39897 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163 5PZ -0.06725 -0.08703 -0.54618 -0.56292 0.87635 164 6PX 0.01593 0.19880 0.30979 0.38366 -0.41037 165 6PY 0.04652 0.01686 0.01101 -0.24358 -0.26577 166 6PZ 0.01087 0.00267 -0.22008 -0.57240 0.23679 167 7D 0 -0.06695 0.04208 0.02420 0.03546 0.17288 168 7D+1 -0.01267 0.00296 0.03934 -0.14109 -0.15340 169 7D-1 -0.03149 -0.12221 -0.02061 -0.08089 0.19509 170 7D+2 -0.00257 -0.07146 0.00140 -0.08344 0.06450 171 7D-2 -0.06161 0.00737 -0.12520 0.18158 -0.11684 172 8D 0 0.10713 -0.09652 -0.02127 -0.04926 -0.36446 173 8D+1 0.00639 -0.04037 -0.08651 0.29759 0.31053 174 8D-1 0.06902 0.24031 0.07829 0.19016 -0.39490 175 8D+2 -0.01113 0.11449 -0.00787 0.15477 -0.13711 176 8D-2 0.11155 -0.02792 0.21679 -0.37393 0.23613 177 9 C 1S 0.00143 -0.00779 0.00030 -0.00137 -0.00219 178 2S -0.31419 0.22337 -0.16435 -0.21979 0.00012 179 3S 1.07621 0.15637 0.64175 0.94028 0.15873 180 4PX -0.04218 0.01199 -0.04177 -0.03624 0.04604 181 4PY 0.09959 -0.03268 0.10771 0.08266 -0.02430 182 4PZ 0.05447 0.01046 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-0.00241 0.00365 7 5PX -0.26808 0.23723 -0.22514 -0.00154 0.08715 8 5PY 0.00168 -0.15212 0.79014 -0.11348 -0.67832 9 5PZ 0.45667 0.39303 0.93535 0.34049 -0.94589 10 6PX -0.68003 0.11437 0.13616 -0.99773 0.02331 11 6PY 0.53604 -0.01618 0.35042 0.79872 -0.53656 12 6PZ 0.64445 -0.53371 0.74272 1.79907 -0.91703 13 7D 0 -0.00210 0.07716 -0.11812 0.06633 -0.01555 14 7D+1 -0.07972 0.02540 -0.03874 0.09456 -0.17476 15 7D-1 -0.05396 -0.07901 0.06079 0.08347 -0.01058 16 7D+2 -0.02754 0.04887 -0.00878 -0.06275 0.05030 17 7D-2 0.07397 0.05831 0.06286 0.16729 0.08686 18 8D 0 -0.02559 -0.16327 0.22867 -0.15533 0.00875 19 8D+1 0.13895 -0.05527 0.08459 -0.18445 0.36340 20 8D-1 0.10324 0.12774 -0.17802 -0.15406 0.05312 21 8D+2 0.02442 -0.11514 0.04635 0.10505 -0.10778 22 8D-2 -0.16957 -0.12879 -0.12887 -0.34146 -0.15927 23 2 Cu 1S -0.00069 0.01979 -0.00940 -0.02528 -0.04150 24 2S -0.11552 0.01963 0.11548 -0.15524 -0.14768 25 3S -1.49213 -0.99466 2.42515 -1.42329 -0.93415 26 4PX 0.00342 0.00090 0.01884 0.00357 -0.01396 27 4PY 0.01301 0.00259 -0.01369 0.01892 0.01423 28 4PZ 0.00548 0.00263 0.01518 0.00487 -0.00171 29 5PX 0.36936 0.12991 -0.33754 0.36216 0.13269 30 5PY -1.13195 -0.17694 1.07734 -1.16385 -0.74987 31 5PZ -0.27829 -0.04087 0.10859 -0.22178 -0.15538 32 6PX 0.06130 0.01201 -0.07171 0.31456 -0.17753 33 6PY -0.20715 -0.16131 0.15011 -0.08721 -0.03935 34 6PZ -0.00262 0.36031 -0.14946 -0.15820 0.01098 35 7D 0 -0.06464 0.11515 -0.17185 0.06927 0.00169 36 7D+1 -0.01855 -0.05295 0.07802 0.03898 -0.12327 37 7D-1 -0.07712 -0.12161 -0.02922 0.05671 0.02687 38 7D+2 -0.04268 -0.01389 0.06665 -0.06360 -0.01632 39 7D-2 0.02983 -0.04998 0.19179 0.05704 0.07468 40 8D 0 0.10453 -0.22572 0.37665 -0.17905 -0.01925 41 8D+1 0.03460 0.09679 -0.18276 -0.06786 0.26256 42 8D-1 0.17648 0.25371 0.08687 -0.11175 -0.05903 43 8D+2 0.06736 0.04318 -0.18174 0.10500 0.05757 44 8D-2 -0.05517 0.12654 -0.42268 -0.12296 -0.18813 45 3 Cu 1S 0.00453 0.02059 -0.03475 -0.06634 -0.00848 46 2S 0.02612 0.05067 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-0.22746 -0.15270 0.06758 67 4 Cu 1S -0.09410 -0.07174 -0.02208 0.01780 -0.03669 68 2S -0.12817 -0.09361 -0.03880 0.04642 -0.15189 69 3S 2.28760 2.06457 0.75260 -0.24492 -0.79346 70 4PX -0.01900 -0.00670 -0.00088 0.00778 0.00428 71 4PY -0.00991 0.00476 0.01307 0.01460 -0.00391 72 4PZ -0.00885 -0.01305 -0.01454 0.01014 0.00406 73 5PX 0.40500 0.25179 -0.00222 -0.00854 -0.20252 74 5PY 0.09692 0.06364 0.27857 -0.20280 -0.28181 75 5PZ 0.48184 0.52168 0.31648 0.04652 -0.25272 76 6PX 0.28081 0.14580 -0.33718 0.45391 -0.04568 77 6PY 0.03625 -0.12313 0.30794 -0.13794 -0.02588 78 6PZ 0.15104 0.36242 0.21753 -0.45125 0.06932 79 7D 0 -0.07607 -0.11742 -0.14439 0.04044 -0.05630 80 7D+1 -0.09637 0.03152 -0.02326 0.09308 -0.10715 81 7D-1 -0.08711 -0.13948 -0.05442 0.08123 0.00663 82 7D+2 -0.07232 -0.15021 -0.03835 -0.05849 0.00011 83 7D-2 0.12176 0.17626 0.01692 0.12622 0.04132 84 8D 0 0.17148 0.25573 0.30132 -0.08431 0.12549 85 8D+1 0.18999 -0.04984 0.04944 -0.14993 0.21573 86 8D-1 0.17661 0.30120 0.14546 -0.15755 -0.03577 87 8D+2 0.16067 0.31323 0.09434 0.11820 -0.01485 88 8D-2 -0.27079 -0.36980 -0.01012 -0.25681 -0.09863 89 5 Cu 1S -0.05037 0.02406 0.03187 -0.05967 -0.10971 90 2S -0.07978 0.03591 -0.02358 -0.09801 -0.20484 91 3S 1.03272 -0.30289 -1.52965 0.61694 1.73888 92 4PX 0.01128 -0.00011 -0.01993 0.00967 0.01775 93 4PY 0.00060 0.00673 -0.00504 -0.00693 -0.00591 94 4PZ 0.00303 -0.00964 -0.00608 0.00564 0.01536 95 5PX -0.15072 0.03817 0.31020 -0.05124 -0.37499 96 5PY -0.00967 -0.23912 -0.07337 -0.02510 0.06209 97 5PZ -0.22538 0.10828 0.47952 -0.23222 -0.48381 98 6PX 0.03884 0.09930 0.05110 -0.08885 -0.09845 99 6PY 0.07245 0.23389 -0.13483 -0.01156 0.03113 100 6PZ -0.23141 0.03994 0.13051 -0.14833 -0.25378 101 7D 0 -0.10273 0.10310 -0.01623 -0.06630 -0.09725 102 7D+1 -0.03267 -0.07341 0.10111 -0.00084 -0.24002 103 7D-1 -0.11372 -0.09137 0.07085 -0.00990 0.04056 104 7D+2 -0.01374 0.09354 -0.07537 -0.04595 -0.01003 105 7D-2 0.11413 -0.09082 0.02943 0.16220 0.12219 106 8D 0 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1.24154 -0.00520 9 5PZ -0.25493 0.53190 -0.85198 -0.40205 0.11864 10 6PX 0.21263 0.99018 0.56116 -0.23658 -0.13331 11 6PY -0.28014 0.04432 -0.03628 0.81419 0.18878 12 6PZ -0.14943 -0.33243 -0.25402 -0.59904 0.09547 13 7D 0 0.17106 -0.05405 -0.04708 0.03263 0.06766 14 7D+1 -0.00686 0.01793 -0.06479 -0.02371 0.18995 15 7D-1 -0.05587 0.03418 0.02344 -0.09295 -0.00863 16 7D+2 0.14547 0.01690 0.05032 -0.07816 -0.08912 17 7D-2 0.08151 0.09681 0.02288 0.08331 -0.19328 18 8D 0 -0.35325 0.19467 0.15075 -0.07153 -0.16347 19 8D+1 0.03231 -0.08925 0.10423 0.04383 -0.51813 20 8D-1 0.09517 -0.06363 -0.02494 0.30066 0.07686 21 8D+2 -0.31754 -0.04900 -0.16141 0.26217 0.23262 22 8D-2 -0.14073 -0.26235 -0.07432 -0.23180 0.48863 23 2 Cu 1S 0.00763 0.00373 0.00735 0.06984 0.03605 24 2S 0.08172 0.12034 -0.08516 0.32262 0.06533 25 3S -0.14272 1.93996 -1.79321 2.26409 -0.37800 26 4PX -0.01044 0.01481 0.00876 0.01720 -0.01127 27 4PY -0.00186 -0.00875 0.01906 -0.03653 -0.00777 28 4PZ 0.00298 0.00073 -0.00457 0.00047 -0.00184 29 5PX 0.14226 0.15428 0.62102 -0.62377 0.27067 30 5PY 0.30682 1.00326 -0.70451 1.74150 0.06466 31 5PZ -0.06227 0.17735 -0.19744 -0.58593 -0.46366 32 6PX 0.24160 0.25737 0.51265 -0.45814 0.05228 33 6PY 0.06119 0.10410 -0.09843 0.03726 -0.20099 34 6PZ 0.00798 0.33075 -0.10189 0.14532 0.03736 35 7D 0 0.03865 -0.10395 0.07268 0.05152 -0.03049 36 7D+1 0.05364 0.00810 -0.04242 -0.01483 -0.11653 37 7D-1 -0.03359 0.05999 0.02976 0.16375 0.07856 38 7D+2 0.14672 0.11980 0.04263 0.05129 0.09153 39 7D-2 0.19919 -0.02786 -0.13536 0.07999 -0.03811 40 8D 0 -0.03765 0.27938 -0.15194 -0.12554 0.06340 41 8D+1 -0.11809 -0.03655 0.11041 0.03489 0.29348 42 8D-1 0.05335 -0.15014 -0.08834 -0.46958 -0.23445 43 8D+2 -0.29104 -0.30380 -0.12719 -0.12835 -0.24606 44 8D-2 -0.44442 0.11426 0.36852 -0.20198 0.10818 45 3 Cu 1S -0.02680 0.16848 0.11770 0.05034 0.01819 46 2S -0.04353 0.22951 0.17139 0.02312 -0.03170 47 3S -0.36829 -2.78277 -2.51904 -1.26548 -0.90722 48 4PX -0.00489 -0.02207 -0.01958 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-0.07847 0.02396 69 3S -0.99568 2.92173 1.13501 -1.27057 0.00250 70 4PX 0.00834 -0.00910 -0.01727 0.01663 -0.00490 71 4PY 0.00000 0.00229 0.00024 0.00688 -0.01055 72 4PZ 0.01465 -0.02100 -0.02540 0.01075 0.00285 73 5PX -0.11041 0.72277 0.95820 -0.44860 0.29139 74 5PY -0.21026 0.30200 -0.08290 0.76072 0.11049 75 5PZ -0.28750 0.43084 0.04244 -0.75827 -0.31968 76 6PX -0.01348 0.02200 0.36817 0.16066 0.16317 77 6PY -0.20950 -0.00008 -0.27097 0.34364 -0.06924 78 6PZ -0.10363 0.37756 -0.11554 -0.47151 -0.24477 79 7D 0 0.09951 0.01079 0.05261 0.05918 0.04771 80 7D+1 0.02863 -0.00489 -0.13243 0.07681 0.00997 81 7D-1 0.01932 -0.07727 0.01963 -0.13107 -0.06604 82 7D+2 0.12764 -0.11721 -0.07094 0.03612 -0.07054 83 7D-2 -0.03043 0.04886 0.01183 -0.10519 -0.05145 84 8D 0 -0.19129 -0.01638 -0.16797 -0.18267 -0.13812 85 8D+1 -0.05779 -0.00003 0.30289 -0.21409 -0.03234 86 8D-1 -0.05875 0.19403 -0.04222 0.37295 0.16696 87 8D+2 -0.27094 0.30129 0.19996 -0.08931 0.19517 88 8D-2 0.08900 -0.08592 -0.04791 0.27065 0.12791 89 5 Cu 1S -0.00139 0.09291 0.03709 -0.08249 -0.09913 90 2S -0.05152 0.11239 0.04967 0.03008 -0.16021 91 3S -0.92822 -1.86519 0.03426 3.76998 1.67633 92 4PX -0.00610 -0.00942 -0.00280 0.02165 -0.00796 93 4PY 0.00465 0.00731 -0.00583 -0.02813 -0.00282 94 4PZ -0.02249 -0.01579 -0.00607 0.02543 0.02160 95 5PX 0.13720 0.40996 0.31630 -0.83000 -0.21604 96 5PY -0.26502 0.23309 0.13016 1.03251 -0.05656 97 5PZ 0.30843 0.76665 -0.06463 -0.81032 -0.59658 98 6PX -0.04473 -0.11862 -0.18141 -0.11974 -0.22782 99 6PY 0.03249 0.28624 0.12076 0.06649 0.23855 100 6PZ 0.12989 0.34514 0.08125 -0.40171 -0.03295 101 7D 0 0.11621 0.07678 -0.02948 0.03410 -0.12684 102 7D+1 0.05775 0.11314 0.01377 -0.10413 -0.04518 103 7D-1 -0.01327 0.10384 -0.03029 0.04193 0.11121 104 7D+2 -0.03703 0.01098 0.08277 0.12373 -0.06032 105 7D-2 0.00677 0.01057 0.05852 0.17061 -0.07700 106 8D 0 -0.24046 -0.20109 0.08532 -0.08243 0.32062 107 8D+1 -0.11537 -0.28139 -0.05828 0.28138 0.13673 108 8D-1 0.01076 -0.22803 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128 8D 0 -0.27493 0.08223 0.08429 0.10891 -0.09766 129 8D+1 0.15855 0.26457 0.48138 -0.12687 -0.13612 130 8D-1 0.16281 -0.08936 0.09519 0.01883 0.10932 131 8D+2 -0.16820 0.29000 0.15764 0.15290 0.15977 132 8D-2 -0.24900 -0.16108 -0.13786 0.29271 -0.04124 133 7 Cu 1S -0.03045 0.10452 -0.11322 -0.00073 -0.05982 134 2S -0.10946 0.38791 -0.12417 0.08938 -0.14545 135 3S -0.13367 0.98384 2.71045 1.17856 -0.23601 136 4PX 0.01218 -0.01628 -0.00503 -0.01909 0.01447 137 4PY 0.00991 -0.02700 0.00007 0.00635 0.02155 138 4PZ -0.00462 0.01313 0.01951 0.00061 -0.00438 139 5PX 0.01016 0.79798 0.97093 -0.47463 -0.54644 140 5PY -0.46172 0.65818 -0.10057 0.99521 -0.46055 141 5PZ 0.01319 0.41210 -0.42236 -0.84202 -0.33609 142 6PX 0.13369 0.21294 0.56102 -0.41431 -0.00667 143 6PY -0.18062 -0.02609 -0.10987 0.51942 0.06897 144 6PZ 0.03268 0.33039 -0.10987 -0.43889 -0.16740 145 7D 0 0.06022 0.11137 -0.01217 -0.03949 -0.09710 146 7D+1 -0.02168 -0.02845 0.00121 0.04722 -0.00716 147 7D-1 -0.05803 -0.10904 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1.08624 11 6PY -0.09294 -0.27910 0.50744 0.61855 -0.69379 12 6PZ 0.36018 -0.16896 0.89401 1.15606 -1.20904 13 7D 0 0.03796 -0.15046 0.06227 0.14812 0.12420 14 7D+1 0.03560 -0.02937 0.03453 0.11804 -0.09626 15 7D-1 -0.03576 -0.17737 0.13783 0.07602 0.01918 16 7D+2 0.02085 0.00560 -0.10775 -0.02936 -0.14944 17 7D-2 0.11553 0.07279 0.12208 -0.04844 0.09890 18 8D 0 -0.09942 0.42080 -0.18500 -0.41951 -0.36685 19 8D+1 -0.10126 0.05931 -0.08641 -0.31733 0.28997 20 8D-1 0.09014 0.51822 -0.39857 -0.22076 -0.07424 21 8D+2 -0.06217 -0.00730 0.29474 0.07890 0.41735 22 8D-2 -0.31376 -0.20390 -0.33772 0.12250 -0.26560 23 2 Cu 1S -0.00180 0.01001 -0.00649 -0.01206 -0.02154 24 2S -0.03319 0.00763 0.00471 -0.01836 -0.05115 25 3S -0.21014 -0.17123 0.13925 0.56554 -0.20107 26 4PX 0.01812 -0.02356 -0.02145 -0.01138 -0.00188 27 4PY 0.00099 0.00152 -0.00553 -0.00642 -0.00029 28 4PZ 0.00320 -0.00625 -0.01426 0.01918 0.01772 29 5PX -0.14889 0.54037 0.66066 0.04476 0.30839 30 5PY -0.28923 -0.06355 -0.01665 -0.08704 0.25259 31 5PZ 0.17262 -0.23358 0.29578 0.32252 -0.65218 32 6PX 0.07489 -0.28490 -0.27343 -0.12021 -0.19363 33 6PY -0.00520 -0.18282 -0.08903 0.17809 -0.10161 34 6PZ 0.09340 0.12662 -0.04260 -0.16999 0.05705 35 7D 0 -0.04741 -0.01767 -0.10234 -0.07402 0.00941 36 7D+1 -0.26234 0.00636 -0.02439 0.07115 0.06855 37 7D-1 -0.01057 0.01443 -0.06051 -0.00433 0.10969 38 7D+2 -0.05221 0.09901 0.09994 -0.05695 0.02371 39 7D-2 0.08763 -0.10979 -0.10595 -0.04779 -0.05756 40 8D 0 0.12292 0.02308 0.27346 0.20988 -0.05301 41 8D+1 0.70686 -0.03573 0.09390 -0.22131 -0.21681 42 8D-1 0.05117 -0.05548 0.17108 0.04527 -0.30994 43 8D+2 0.11718 -0.27994 -0.29504 0.16963 -0.07866 44 8D-2 -0.22616 0.29395 0.28744 0.12150 0.18248 45 3 Cu 1S 0.03372 0.08487 -0.06565 -0.04147 -0.11221 46 2S 0.10481 0.17099 -0.10949 -0.02057 -0.31113 47 3S 0.39666 -0.57865 0.96105 1.32509 -0.80850 48 4PX -0.00302 0.01281 0.01268 0.02383 -0.01637 49 4PY 0.01623 -0.00943 0.00396 -0.00178 -0.00481 50 4PZ -0.01711 -0.00326 0.01136 0.00347 0.01925 51 5PX -0.07185 -0.39881 -0.33837 -0.60154 0.69904 52 5PY -0.38603 0.03141 -0.00241 0.18469 0.49969 53 5PZ 0.31029 -0.33927 0.02053 0.19735 -0.16935 54 6PX -0.00150 0.49049 0.28630 0.14121 -0.44625 55 6PY 0.18645 -0.06259 0.14127 -0.02601 -0.48228 56 6PZ -0.01676 0.21135 0.24402 0.21946 -0.22279 57 7D 0 -0.03489 0.11688 0.07003 0.09240 -0.05451 58 7D+1 0.05638 0.00466 0.06179 0.05807 -0.06671 59 7D-1 0.13121 -0.04326 0.00972 -0.04658 -0.12836 60 7D+2 0.07923 -0.13799 -0.10308 -0.14979 0.10223 61 7D-2 -0.06395 0.00511 -0.00965 0.01883 0.05157 62 8D 0 0.08075 -0.35455 -0.15710 -0.22307 0.19578 63 8D+1 -0.13812 0.01772 -0.17886 -0.16947 0.17306 64 8D-1 -0.34648 0.07170 0.00178 0.14251 0.38021 65 8D+2 -0.19095 0.38888 0.26844 0.39634 -0.28328 66 8D-2 0.16611 0.00120 0.02542 -0.05689 -0.16495 67 4 Cu 1S -0.06713 -0.03965 0.04448 -0.05523 0.04058 68 2S -0.12615 -0.11371 0.13300 -0.09357 0.07383 69 3S 0.84307 -0.03796 0.31296 0.89553 -0.69255 70 4PX 0.00563 0.02802 0.00040 -0.01469 -0.03043 71 4PY -0.01627 0.02032 -0.00384 0.01118 0.03114 72 4PZ -0.00267 -0.02027 -0.01718 -0.01524 0.01271 73 5PX -0.13648 -0.43094 -0.03698 -0.28472 0.75121 74 5PY 0.24203 -0.34263 0.43288 -0.34293 -0.62753 75 5PZ 0.35539 0.36562 0.31521 0.91955 -0.66610 76 6PX 0.22468 0.46668 0.23743 0.09536 -0.66991 77 6PY -0.15776 0.27512 -0.32922 0.45386 0.66060 78 6PZ 0.06697 -0.48980 -0.18735 -0.13530 0.32422 79 7D 0 -0.15525 -0.12737 0.01883 -0.13998 0.05671 80 7D+1 0.09569 -0.07433 -0.09178 -0.16242 0.01367 81 7D-1 -0.02228 0.11234 -0.11529 0.09687 0.19019 82 7D+2 -0.06268 0.12353 0.08164 0.05703 -0.18768 83 7D-2 -0.22591 0.06649 0.04116 -0.01103 -0.01567 84 8D 0 0.42457 0.33183 -0.09075 0.41819 -0.16474 85 8D+1 -0.24114 0.20011 0.27016 0.42552 -0.05300 86 8D-1 0.04528 -0.29427 0.34741 -0.27329 -0.51728 87 8D+2 0.16025 -0.32749 -0.23863 -0.17416 0.51403 88 8D-2 0.57092 -0.18021 -0.13347 0.02291 0.04590 89 5 Cu 1S 0.01870 -0.06222 -0.08114 0.01772 -0.04455 90 2S 0.02076 -0.11080 -0.18889 0.01542 -0.05810 91 3S -0.56467 0.88188 0.22164 -0.92465 0.63972 92 4PX 0.01118 0.00734 0.01280 -0.00909 0.00551 93 4PY -0.00943 0.01364 -0.00424 -0.02269 0.01471 94 4PZ -0.01773 0.00813 -0.01798 -0.01350 0.00729 95 5PX 0.11330 -0.20102 -0.52293 0.25580 -0.03134 96 5PY 0.21930 -0.19571 0.05099 0.37490 -0.52571 97 5PZ 0.22955 -0.45745 0.34877 0.46503 -0.51659 98 6PX 0.01616 0.05448 0.36563 -0.06079 -0.11310 99 6PY -0.15670 0.35163 0.07545 -0.43526 0.33130 100 6PZ 0.02928 0.18336 -0.26799 -0.04366 0.16694 101 7D 0 0.07914 -0.09303 0.15992 0.05155 -0.08492 102 7D+1 0.01732 -0.07794 -0.10048 0.07307 -0.04379 103 7D-1 0.08799 0.04733 0.02278 0.04325 -0.09033 104 7D+2 -0.02563 -0.11097 -0.13454 0.12224 -0.06726 105 7D-2 -0.01037 -0.07156 -0.00649 0.07182 -0.06940 106 8D 0 -0.18398 0.24851 -0.42830 -0.13827 0.24870 107 8D+1 -0.05629 0.22138 0.27917 -0.20264 0.12348 108 8D-1 -0.23141 -0.13991 -0.06833 -0.11535 0.22216 109 8D+2 0.05059 0.29297 0.39497 -0.33542 0.18444 110 8D-2 0.01301 0.19288 0.02222 -0.18553 0.20077 111 6 Cu 1S 0.01139 0.06704 -0.05190 -0.03619 -0.08134 112 2S 0.01872 0.11228 -0.16928 -0.09677 -0.17689 113 3S -0.37022 -0.85887 -0.79399 -0.47503 -0.23080 114 4PX 0.00869 0.00108 0.02329 0.00187 0.01369 115 4PY -0.00200 -0.00447 -0.01043 -0.01252 -0.00142 116 4PZ 0.01568 0.01523 -0.01330 0.01292 0.00557 117 5PX -0.11883 0.14432 -0.46610 -0.12271 -0.63919 118 5PY 0.12769 0.43955 0.47434 0.41985 -0.07809 119 5PZ 0.04387 -0.23450 0.59725 -0.06538 -0.53840 120 6PX 0.01696 -0.29802 0.01976 -0.01188 0.35818 121 6PY 0.10211 -0.21503 -0.24651 -0.01048 0.13940 122 6PZ -0.08762 0.03064 -0.62157 0.22704 0.41950 123 7D 0 -0.08972 0.00963 -0.07475 -0.12455 -0.13995 124 7D+1 -0.02089 0.04349 -0.10132 -0.01242 0.03561 125 7D-1 -0.11063 -0.10902 0.12087 -0.14870 -0.13727 126 7D+2 0.03652 -0.13507 0.08505 -0.04249 0.17105 127 7D-2 -0.03225 -0.00420 -0.13175 -0.06110 -0.07356 128 8D 0 0.22109 -0.00346 0.21799 0.33946 0.39842 129 8D+1 0.06103 -0.09912 0.28144 0.04055 -0.09564 130 8D-1 0.25927 0.29171 -0.33573 0.38830 0.41355 131 8D+2 -0.08868 0.37586 -0.21039 0.11688 -0.48295 132 8D-2 0.08928 0.00793 0.34996 0.16798 0.20278 133 7 Cu 1S 0.05091 0.12672 -0.03183 -0.00716 -0.06523 134 2S 0.13351 0.32856 -0.06619 -0.02910 -0.13037 135 3S 0.18581 0.50028 0.26653 -0.81849 0.69011 136 4PX -0.02144 -0.00587 -0.00228 0.02084 -0.01041 137 4PY 0.00630 -0.01832 0.01590 -0.00979 -0.01666 138 4PZ 0.00203 0.01583 0.03158 -0.01006 -0.00982 139 5PX 0.51453 0.21748 -0.08792 -0.33376 -0.09031 140 5PY 0.03130 0.57802 -0.25605 0.23346 0.14595 141 5PZ 0.24857 -0.37793 -0.80298 1.01822 -0.30566 142 6PX -0.19736 -0.12002 0.04696 -0.01738 0.19285 143 6PY 0.17295 -0.08712 0.31747 -0.23916 -0.04826 144 6PZ -0.02114 -0.02824 0.48527 -0.36930 -0.18188 145 7D 0 0.19881 0.13208 -0.12188 0.08455 0.04188 146 7D+1 0.11374 0.11923 0.19398 -0.20720 0.03226 147 7D-1 -0.02526 0.09231 -0.03493 0.00578 0.01066 148 7D+2 -0.05764 0.06796 0.00695 0.08172 0.06192 149 7D-2 0.04255 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0.04137 169 7D-1 -0.02238 0.00894 -0.02522 -0.00667 -0.03347 170 7D+2 0.02147 0.08171 0.01315 -0.06422 0.06891 171 7D-2 -0.01924 0.04600 0.02867 -0.05761 0.07880 172 8D 0 -0.05657 -0.32464 -0.01889 0.09974 -0.05420 173 8D+1 -0.08230 0.19340 -0.28451 -0.29198 -0.09920 174 8D-1 0.05107 -0.04881 0.07831 0.02454 0.09846 175 8D+2 -0.04913 -0.20315 -0.04266 0.17083 -0.17177 176 8D-2 0.04948 -0.11200 -0.06109 0.15078 -0.22766 177 9 C 1S -0.00462 0.00219 0.00066 -0.00506 -0.00200 178 2S 0.11669 0.03439 0.07885 0.15410 -0.00838 179 3S -0.24110 -0.16330 -0.19432 -0.23891 0.07396 180 4PX -0.03196 0.04676 0.05353 -0.02916 -0.00128 181 4PY 0.07957 -0.01280 0.00433 0.09114 0.04944 182 4PZ -0.01787 0.00395 0.03178 0.01954 -0.00961 183 5PX 0.08503 -0.03810 -0.09961 -0.02373 -0.05538 184 5PY -0.10427 -0.07905 -0.10075 -0.06089 -0.00991 185 5PZ 0.00530 -0.06192 -0.10508 0.12555 0.07141 186 10 O 1S 0.00076 -0.00166 -0.00139 -0.00048 -0.00099 187 2S -0.02086 0.03039 0.02923 -0.00653 0.00228 188 3S 0.05674 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0.30655 13 7D 0 0.07103 0.04225 0.12174 -0.02031 -0.16929 14 7D+1 -0.20035 0.00280 0.09800 0.05268 0.10631 15 7D-1 -0.11565 -0.10586 -0.22490 0.05822 0.02766 16 7D+2 -0.17249 -0.12702 -0.02912 -0.07019 -0.23063 17 7D-2 -0.16106 0.04609 0.12279 0.05195 0.06869 18 8D 0 -0.22298 -0.12213 -0.33340 0.05803 0.52343 19 8D+1 0.59012 -0.01885 -0.31471 -0.15622 -0.33077 20 8D-1 0.32644 0.32033 0.68545 -0.17530 -0.06600 21 8D+2 0.49652 0.35504 0.09213 0.19986 0.67579 22 8D-2 0.46242 -0.12591 -0.36348 -0.15894 -0.20756 23 2 Cu 1S -0.01551 0.00252 -0.01638 0.00716 -0.02495 24 2S 0.00902 -0.01178 -0.03647 0.07314 0.05601 25 3S -0.03470 -0.36897 0.13347 0.81278 0.83578 26 4PX -0.01033 -0.00672 0.01774 0.02211 0.00456 27 4PY -0.00540 0.00279 0.01670 -0.01382 -0.01128 28 4PZ -0.01789 0.02006 -0.05377 0.03496 -0.01753 29 5PX -0.13343 0.74751 -0.38885 -0.85174 -0.14386 30 5PY 0.09767 0.10174 -0.01374 0.52196 1.01049 31 5PZ 0.33007 -0.84042 1.15298 -1.06097 0.96709 32 6PX -0.07260 -0.41897 0.24557 0.58777 -0.26341 33 6PY -0.03456 -0.27238 0.07168 -0.09047 -0.08702 34 6PZ -0.12157 0.21799 -0.43513 1.01353 -0.45033 35 7D 0 -0.00639 0.00544 -0.07337 0.17834 0.16245 36 7D+1 -0.02893 -0.02152 0.05453 -0.00073 0.00816 37 7D-1 -0.08309 0.11219 -0.14877 0.13137 -0.20074 38 7D+2 0.06605 0.09283 -0.13058 -0.00905 0.22966 39 7D-2 0.00402 -0.07513 0.03662 0.13736 0.06968 40 8D 0 0.02311 -0.02413 0.18896 -0.53359 -0.46326 41 8D+1 0.09924 0.09716 -0.16418 0.00103 -0.03392 42 8D-1 0.22667 -0.32497 0.41692 -0.37549 0.58746 43 8D+2 -0.16131 -0.29991 0.35899 0.02515 -0.65316 44 8D-2 -0.02280 0.23563 -0.10084 -0.40182 -0.18076 45 3 Cu 1S -0.05794 0.07323 0.00058 0.04372 -0.09560 46 2S -0.05987 0.12945 -0.00377 0.11327 -0.19659 47 3S 0.92913 -0.44074 -0.20270 0.48400 0.60100 48 4PX -0.01030 0.00328 0.00527 0.00485 0.00684 49 4PY -0.00285 -0.00214 -0.00776 0.01442 0.02175 50 4PZ -0.01421 0.00308 0.00132 -0.00505 -0.00178 51 5PX -0.15303 -0.17822 0.22493 -0.34109 0.11017 52 5PY -0.21222 0.29140 -0.50502 0.04500 -0.41318 53 5PZ 0.17716 -0.16962 -0.04994 0.10882 0.12570 54 6PX 0.00533 0.22421 -0.06284 0.19597 -0.07364 55 6PY 0.23885 -0.17250 0.40352 0.09593 0.28366 56 6PZ 0.21011 0.09183 -0.09449 0.14065 -0.08920 57 7D 0 -0.05659 0.04862 0.03111 0.02936 0.01679 58 7D+1 0.01411 -0.00092 -0.00946 0.01756 -0.00467 59 7D-1 0.02490 -0.06981 0.07895 0.02876 0.15911 60 7D+2 0.04329 -0.09157 0.05438 -0.08308 0.05307 61 7D-2 -0.00841 0.02479 -0.02288 -0.02345 -0.06122 62 8D 0 0.14985 -0.14047 -0.10048 -0.08437 -0.04986 63 8D+1 -0.04319 0.01392 0.04466 -0.05009 0.02484 64 8D-1 -0.05771 0.20082 -0.27295 -0.05787 -0.46090 65 8D+2 -0.09052 0.27634 -0.17041 0.25116 -0.15582 66 8D-2 0.03869 -0.06840 0.08852 0.05232 0.17274 67 4 Cu 1S 0.00790 -0.04966 0.08636 -0.07792 0.04043 68 2S -0.01758 -0.12433 0.21257 -0.18314 0.11766 69 3S -1.40095 0.34446 0.25371 0.37697 0.84183 70 4PX 0.01258 0.01222 -0.02549 0.01262 -0.02320 71 4PY 0.00331 -0.00747 -0.00633 -0.01539 0.01916 72 4PZ 0.01239 -0.00639 0.00072 -0.00453 0.00460 73 5PX -1.18393 -0.37263 0.48989 -0.89499 0.55607 74 5PY -0.18632 -0.21153 0.07009 1.06326 -0.25037 75 5PZ -0.28208 0.40228 -0.13336 0.44808 0.16519 76 6PX 0.83702 0.45176 -0.10311 1.04176 -0.63426 77 6PY -0.01944 0.35336 -0.02256 -0.90713 0.53325 78 6PZ -0.35016 -0.39297 0.13417 -0.29981 0.31300 79 7D 0 -0.02450 -0.09667 0.11968 -0.08172 0.04125 80 7D+1 0.24802 -0.01114 -0.09487 0.02051 -0.06322 81 7D-1 0.05668 0.01686 -0.04007 -0.17309 0.06564 82 7D+2 0.11094 0.07745 -0.02444 0.09734 -0.04976 83 7D-2 0.15336 0.01120 0.00989 -0.07982 0.00695 84 8D 0 0.08493 0.30437 -0.34600 0.24635 -0.09223 85 8D+1 -0.72576 0.01011 0.24755 -0.07324 0.18666 86 8D-1 -0.16043 -0.07453 0.11585 0.50622 -0.18263 87 8D+2 -0.33091 -0.19660 0.06704 -0.28275 0.15466 88 8D-2 -0.47026 -0.02563 -0.05498 0.23502 0.00431 89 5 Cu 1S -0.07348 0.04711 -0.02526 -0.03599 -0.00807 90 2S -0.14293 0.11565 -0.05946 -0.09984 -0.02499 91 3S 0.49686 0.08849 0.49898 -0.25229 -0.25811 92 4PX 0.00526 0.00677 -0.01029 -0.01585 -0.00612 93 4PY -0.00194 -0.00044 -0.00198 0.03636 0.01189 94 4PZ -0.00699 0.00345 0.00820 0.01527 -0.00028 95 5PX 0.13354 0.58562 0.21487 0.56567 0.04541 96 5PY 0.41321 0.35579 0.65599 -1.07879 0.36340 97 5PZ -0.14317 -0.30765 -0.33793 -0.48028 0.31304 98 6PX -0.32183 -0.59819 -0.28533 -0.36294 0.01308 99 6PY -0.25533 -0.61416 -0.19039 1.21862 -0.34673 100 6PZ 0.11493 0.12275 0.09866 0.84097 -0.18839 101 7D 0 0.01259 -0.08465 -0.10508 -0.19784 0.03510 102 7D+1 0.03102 0.05965 0.02560 0.04596 0.03971 103 7D-1 0.09338 0.05703 0.23348 -0.16705 -0.02895 104 7D+2 0.02531 0.13169 0.05164 0.00160 0.05564 105 7D-2 0.03816 0.02614 -0.03721 -0.11107 0.01992 106 8D 0 -0.00776 0.27312 0.29900 0.55945 -0.11398 107 8D+1 -0.08836 -0.21234 -0.07437 -0.13656 -0.10892 108 8D-1 -0.31457 -0.17286 -0.70181 0.46874 0.04638 109 8D+2 -0.08609 -0.42470 -0.14888 -0.01018 -0.14752 110 8D-2 -0.08906 -0.08950 0.09428 0.30320 -0.06865 111 6 Cu 1S -0.05780 0.04378 -0.08195 0.00099 -0.00353 112 2S -0.16914 0.11407 -0.20882 -0.02431 -0.05308 113 3S -0.45712 0.29533 -0.26163 -0.51478 -0.77039 114 4PX -0.00690 -0.00070 0.01578 0.00924 0.00675 115 4PY -0.02818 0.01487 -0.00220 -0.01014 -0.00382 116 4PZ -0.02289 0.00944 -0.00417 -0.00594 0.01061 117 5PX -0.19074 -0.42490 -0.36649 0.01287 -0.43305 118 5PY 0.60870 -0.88606 0.29002 0.75330 0.00886 119 5PZ 0.62977 0.02245 0.20812 0.96068 -0.36854 120 6PX -0.07763 0.60029 0.09714 -0.32951 0.28085 121 6PY -0.44982 0.76363 -0.05151 -0.67162 0.49376 122 6PZ -0.93512 0.19740 -0.22245 -1.16475 0.53807 123 7D 0 -0.07918 0.06163 -0.04566 -0.07667 -0.00568 124 7D+1 -0.12648 0.05334 -0.03817 -0.11328 0.05217 125 7D-1 0.08736 0.09466 0.04350 0.06158 -0.07108 126 7D+2 -0.10196 0.23011 0.05642 -0.04500 0.04908 127 7D-2 -0.07119 0.01883 -0.06167 -0.09595 -0.01216 128 8D 0 0.23566 -0.18681 0.14691 0.22587 0.03340 129 8D+1 0.35779 -0.15354 0.13620 0.36414 -0.15236 130 8D-1 -0.22976 -0.30368 -0.09394 -0.19368 0.20551 131 8D+2 0.25374 -0.68868 -0.15511 0.15111 -0.15790 132 8D-2 0.20890 -0.04586 0.17802 0.27217 0.03520 133 7 Cu 1S -0.01675 -0.01779 0.06959 0.02462 0.09828 134 2S -0.03967 -0.03710 0.17947 0.06729 0.21383 135 3S 0.03752 0.30605 0.10758 0.13523 -0.71793 136 4PX -0.01190 -0.03170 -0.00360 -0.00389 0.00049 137 4PY 0.00739 0.03342 -0.00518 -0.00410 0.01546 138 4PZ -0.01247 -0.01515 0.00186 -0.00605 -0.00149 139 5PX -0.03135 1.31990 -0.05669 0.08915 -0.14824 140 5PY 0.01864 -1.25782 0.58284 0.36995 0.25617 141 5PZ 0.26433 0.69614 -0.10278 0.46485 0.30241 142 6PX -0.37308 -1.13773 0.01102 -0.05398 -0.15974 143 6PY 0.12902 0.98114 -0.08123 -0.16086 0.16789 144 6PZ -0.64605 -0.85490 -0.04682 -0.22382 0.12370 145 7D 0 0.07249 0.03399 -0.09244 -0.00595 0.02668 146 7D+1 -0.04066 -0.00496 -0.08635 -0.11637 -0.05762 147 7D-1 0.00082 -0.17421 0.09849 -0.00713 -0.01368 148 7D+2 0.00372 -0.29153 -0.01415 -0.00109 0.05865 149 7D-2 0.06360 0.01023 -0.12003 -0.06478 0.01721 150 8D 0 -0.20133 -0.12509 0.28319 -0.00038 -0.07333 151 8D+1 0.12135 0.01641 0.25572 0.33904 0.18510 152 8D-1 -0.00696 0.50553 -0.28574 0.01669 0.01847 153 8D+2 -0.02204 0.84023 0.03141 0.00161 -0.16228 154 8D-2 -0.17736 -0.03629 0.35269 0.18698 -0.01171 155 8 Cu 1S -0.06144 0.03646 0.01221 0.07043 -0.03051 156 2S -0.15190 0.09042 -0.02246 0.12692 -0.10655 157 3S -0.12855 -0.14098 -0.52366 -0.89711 -0.59036 158 4PX 0.00259 0.00822 -0.00619 -0.01637 -0.00606 159 4PY 0.00050 -0.00617 0.01290 0.00388 -0.01254 160 4PZ -0.00920 0.00553 -0.01360 -0.00546 0.00907 161 5PX 0.45876 -0.37929 0.06807 0.72805 -0.42805 162 5PY -0.06353 0.16791 -0.01122 -0.44096 0.41754 163 5PZ 0.03918 -0.10642 0.31142 0.70816 0.13950 164 6PX -0.73954 0.50335 -0.17537 -1.05105 0.40598 165 6PY 0.25351 -0.31382 0.29528 0.75793 -0.21932 166 6PZ -0.04003 0.20950 -0.06765 -0.59718 0.13778 167 7D 0 0.00654 -0.03430 0.10795 0.09299 -0.04699 168 7D+1 0.09698 -0.08644 -0.01130 0.12627 -0.01528 169 7D-1 -0.01168 0.02520 0.03130 0.01908 0.04572 170 7D+2 0.03963 -0.01623 0.06045 0.10015 -0.05903 171 7D-2 0.01598 -0.03938 0.04466 0.10504 -0.04995 172 8D 0 -0.00586 0.08868 -0.30913 -0.29039 0.09263 173 8D+1 -0.33639 0.27044 0.03831 -0.36014 0.11017 174 8D-1 0.07074 -0.07933 -0.09737 -0.06951 -0.15637 175 8D+2 -0.10366 0.05656 -0.15788 -0.30332 0.16955 176 8D-2 -0.05033 0.10460 -0.10672 -0.29886 0.15446 177 9 C 1S 0.00545 0.00072 -0.00490 0.00528 0.02297 178 2S -0.09599 -0.00820 0.03181 -0.05214 -0.42588 179 3S 0.21288 -0.09675 0.15258 0.14663 0.98305 180 4PX 0.04717 0.02522 -0.03736 -0.01056 0.16257 181 4PY -0.09525 0.02128 0.03697 -0.11718 -0.44653 182 4PZ -0.00344 -0.03607 0.07839 -0.08391 -0.08897 183 5PX -0.04400 -0.05234 -0.00829 0.11244 -0.11766 184 5PY 0.05474 -0.09333 0.10212 -0.01113 0.16748 185 5PZ -0.04649 0.13828 -0.25578 0.23639 0.01162 186 10 O 1S -0.00125 -0.00041 -0.00080 -0.00058 -0.00398 187 2S 0.04189 -0.00145 0.00542 0.04759 0.18735 188 3S -0.10993 0.00558 0.01003 -0.14169 -0.53947 189 4PX -0.01310 0.00726 -0.01059 0.01432 -0.00270 190 4PY -0.01725 -0.00460 0.01382 -0.03219 -0.08943 191 4PZ -0.00826 0.00979 -0.02568 0.01400 0.00740 192 5PX 0.04241 -0.02210 0.03211 -0.01731 0.07575 193 5PY -0.04273 0.04031 -0.02483 -0.02419 -0.17394 194 5PZ 0.01265 -0.03121 0.08348 -0.06456 -0.06165 186 187 188 189 190 V V V V V EIGENVALUES -- 1.61211 1.62791 1.85521 1.87851 1.99217 1 1 Cu 1S -0.06088 -0.12848 0.28544 -0.25523 -0.81312 2 2S -0.16151 -0.41348 0.70542 -0.57378 -1.70631 3 3S 0.92582 -1.75456 1.05309 -1.46262 0.73548 4 4PX -0.00159 -0.01735 0.02684 -0.01305 -0.02890 5 4PY -0.00388 -0.03047 0.01686 -0.02031 0.00240 6 4PZ 0.00495 -0.00001 -0.02262 0.00592 -0.00084 7 5PX -0.07151 -0.10040 -0.67988 0.17270 0.45939 8 5PY -0.04068 1.11512 -0.34788 0.66737 -0.15844 9 5PZ -0.00720 0.40145 0.80115 0.06355 -0.32312 10 6PX -0.38673 1.44781 0.26008 0.18754 -0.89716 11 6PY 0.37780 0.14419 -0.99010 -0.19919 0.37014 12 6PZ 0.76077 -1.47092 -1.71215 0.33302 -0.21177 13 7D 0 -0.00759 0.10848 -0.06548 -0.00533 0.05079 14 7D+1 -0.02928 -0.07571 0.02591 0.06715 -0.03802 15 7D-1 0.01899 0.04500 -0.03187 -0.06234 0.09099 16 7D+2 -0.03048 -0.04636 0.01163 -0.01670 0.03007 17 7D-2 -0.01337 -0.05240 -0.01624 -0.00649 -0.02257 18 8D 0 0.01135 -0.36440 0.25044 0.00192 -0.24226 19 8D+1 0.10157 0.25553 -0.08816 -0.24733 0.17827 20 8D-1 -0.05706 -0.15518 0.12321 0.21493 -0.36363 21 8D+2 0.09049 0.15964 -0.04766 0.05812 -0.09582 22 8D-2 0.05308 0.18288 0.04219 0.04297 0.10258 23 2 Cu 1S 0.30140 -0.05951 0.00850 -0.00599 0.11023 24 2S 0.68081 -0.14269 -0.00843 0.00246 0.18649 25 3S -1.75789 1.61983 -0.21507 0.71975 -0.47880 26 4PX 0.00409 0.01435 0.00078 -0.00655 -0.01112 27 4PY 0.00903 0.00255 -0.03218 -0.00072 -0.01367 28 4PZ -0.01598 -0.02188 0.00982 0.02492 -0.00440 29 5PX 0.04031 -0.67773 0.26927 -0.14293 0.20642 30 5PY -0.84220 0.81214 0.34380 0.40198 -0.14938 31 5PZ 0.37436 0.86048 -0.44005 -0.54777 0.13283 32 6PX 0.16429 -0.06499 -0.73338 -0.30262 -0.76832 33 6PY -0.74000 -0.02559 0.00274 -0.03544 -0.23058 34 6PZ -0.28190 0.44063 0.28730 0.31560 0.26484 35 7D 0 0.03280 0.03810 -0.04812 0.03881 -0.01923 36 7D+1 0.00655 -0.00845 -0.03253 0.03629 -0.00176 37 7D-1 -0.06286 -0.04837 0.04121 0.02361 -0.01251 38 7D+2 0.05638 -0.02324 -0.01454 0.01905 0.03186 39 7D-2 0.05340 0.03190 -0.02633 0.00724 -0.02018 40 8D 0 -0.13347 -0.12096 0.17381 -0.14400 0.05746 41 8D+1 -0.02441 0.02449 0.12128 -0.12796 0.00960 42 8D-1 0.21791 0.15372 -0.14761 -0.07505 0.05277 43 8D+2 -0.21930 0.08660 0.04863 -0.06925 -0.10530 44 8D-2 -0.18727 -0.09160 0.09694 -0.02899 0.05648 45 3 Cu 1S 0.14223 0.87368 -0.28402 -0.39301 -0.17677 46 2S 0.30060 1.79412 -0.56918 -0.76050 -0.25545 47 3S 0.45286 -1.55473 0.07227 1.82504 1.65497 48 4PX 0.00626 0.00794 0.00899 0.00472 0.01213 49 4PY -0.00085 0.00358 0.00453 -0.00206 -0.00484 50 4PZ -0.00170 -0.00703 -0.00736 -0.01458 -0.01483 51 5PX -0.15820 -0.39204 0.09190 0.03396 -0.30904 52 5PY -0.15158 0.00702 0.20721 0.22854 0.11844 53 5PZ 0.34494 0.94688 -0.06527 0.10416 0.44053 54 6PX 0.24498 -0.11883 -0.21191 -0.27901 0.35924 55 6PY 0.09967 -0.53285 -0.51930 -0.09879 -0.44331 56 6PZ -0.04738 -0.78021 -0.33854 0.13680 0.35378 57 7D 0 -0.01086 -0.05454 0.03500 -0.02124 -0.06854 58 7D+1 0.03287 0.09019 -0.00808 -0.00929 0.05349 59 7D-1 0.00700 0.00458 -0.01625 -0.02236 -0.05734 60 7D+2 -0.03166 -0.01473 -0.01197 0.00670 0.02494 61 7D-2 -0.00542 0.00822 0.00194 0.01511 0.03161 62 8D 0 0.05116 0.20756 -0.11856 0.05589 0.24781 63 8D+1 -0.11105 -0.30320 0.04229 0.04432 -0.19345 64 8D-1 -0.03014 0.01271 0.05403 0.06663 0.20651 65 8D+2 0.08219 0.03130 0.02737 -0.01331 -0.07994 66 8D-2 0.01882 -0.03551 -0.00749 -0.04849 -0.10857 67 4 Cu 1S -0.43708 -0.40264 -0.80129 0.40489 0.64383 68 2S -0.92481 -0.86487 -1.65136 0.82619 1.22233 69 3S 1.82265 2.34965 0.99739 -0.28579 -1.82268 70 4PX 0.00029 -0.00097 -0.00591 -0.00953 -0.00935 71 4PY 0.00577 0.01651 0.00743 -0.00204 0.01242 72 4PZ 0.01215 0.01055 0.02580 -0.00532 0.02691 73 5PX 0.04043 0.00068 -0.09039 0.17121 0.06065 74 5PY -0.31500 -0.20057 -0.03217 0.21264 -0.16588 75 5PZ -0.30620 -0.18688 -1.23779 0.63433 0.16845 76 6PX 0.11740 -0.57429 -0.73448 -0.18980 0.06674 77 6PY 0.36583 0.46527 0.01531 -0.30085 0.17634 78 6PZ 0.25871 0.58033 1.41966 0.24318 -0.32412 79 7D 0 0.02117 0.00631 0.11277 -0.05154 0.01268 80 7D+1 -0.00792 -0.03758 0.01641 -0.02447 -0.03489 81 7D-1 0.05575 0.05450 0.01453 0.00743 -0.00190 82 7D+2 -0.01203 0.01141 -0.01913 -0.03880 -0.03232 83 7D-2 -0.00687 -0.00716 -0.01549 -0.02441 -0.02772 84 8D 0 -0.07459 -0.02883 -0.39910 0.18092 -0.01635 85 8D+1 0.03898 0.12608 -0.05530 0.08261 0.12053 86 8D-1 -0.17275 -0.16175 -0.03568 -0.01245 0.00652 87 8D+2 0.03323 -0.04041 0.06437 0.12388 0.09781 88 8D-2 0.01310 0.02833 0.04782 0.07739 0.08782 89 5 Cu 1S -0.19115 0.45185 -0.33975 0.88650 -0.63350 90 2S -0.39445 0.92271 -0.70198 1.82503 -1.23095 91 3S 1.16731 0.18498 -0.72490 -0.80907 2.56524 92 4PX 0.00186 -0.00416 -0.00748 0.01707 0.00716 93 4PY -0.00531 0.00345 0.00122 -0.00925 -0.01274 94 4PZ -0.00159 0.01122 -0.00880 0.02219 0.00943 95 5PX -0.03220 -0.33568 0.26376 -0.87050 0.18462 96 5PY 0.22257 0.38868 -0.43129 0.20336 -0.03682 97 5PZ 0.02024 -0.38353 0.61668 -1.19263 -0.10393 98 6PX -0.01910 0.06413 0.37526 0.46249 0.09850 99 6PY 0.03495 0.45597 -0.00175 0.10078 -0.12431 100 6PZ -0.26819 0.22247 -0.21230 0.60510 -0.19119 101 7D 0 0.01563 -0.02320 0.04115 -0.03609 -0.02962 102 7D+1 0.00094 -0.03410 0.04409 -0.09681 0.02749 103 7D-1 0.03328 0.04531 -0.03025 0.03934 0.04227 104 7D+2 -0.01439 -0.02590 0.02737 -0.02743 0.03931 105 7D-2 0.00818 0.00572 0.00191 0.04093 0.00452 106 8D 0 -0.04213 0.06346 -0.13873 0.13315 0.10333 107 8D+1 -0.00579 0.11957 -0.15176 0.33428 -0.10205 108 8D-1 -0.10416 -0.15904 0.11272 -0.13608 -0.13759 109 8D+2 0.04396 0.09721 -0.07300 0.10251 -0.12409 110 8D-2 -0.02349 -0.01882 -0.00117 -0.13056 -0.00411 111 6 Cu 1S 0.49382 0.48205 0.52830 0.60231 0.69654 112 2S 1.01986 0.96448 1.10071 1.25445 1.32264 113 3S -1.85330 -0.48915 -1.99906 -0.33126 -2.49150 114 4PX -0.00054 -0.00187 -0.00771 -0.02090 0.01493 115 4PY 0.00914 0.00809 0.00354 0.00980 -0.02630 116 4PZ 0.00296 0.01076 -0.00760 -0.01853 -0.00400 117 5PX 0.18670 0.22171 0.17894 0.76861 -0.05337 118 5PY -0.18387 -0.26757 -0.31644 -0.50149 -0.07994 119 5PZ 0.02276 -0.14048 0.21314 0.90476 -0.11642 120 6PX -0.19581 0.04381 -0.12347 -0.23613 -0.13952 121 6PY 0.38027 0.67387 0.44799 -0.21127 -0.19637 122 6PZ 0.14076 0.69113 -0.10736 -0.97559 -0.44950 123 7D 0 -0.00799 -0.00156 -0.02821 -0.00969 0.01233 124 7D+1 -0.00474 0.01901 -0.04709 -0.11510 0.00698 125 7D-1 -0.03418 -0.04031 -0.04315 0.04974 -0.00270 126 7D+2 0.03059 0.03450 0.01217 -0.01658 -0.03710 127 7D-2 0.03812 0.04226 0.00963 0.04588 0.00447 128 8D 0 0.03702 0.01901 0.09878 0.04066 -0.04931 129 8D+1 0.02942 -0.04999 0.16397 0.39444 -0.02361 130 8D-1 0.11388 0.13376 0.14252 -0.16406 0.00766 131 8D+2 -0.08928 -0.10899 -0.05020 0.05223 0.10771 132 8D-2 -0.11254 -0.13253 -0.02933 -0.15164 -0.02719 133 7 Cu 1S -0.12065 -0.07510 0.44048 -0.42975 0.53960 134 2S -0.23928 -0.20110 0.92566 -0.98618 0.99151 135 3S 1.06755 -0.47689 -1.06409 -1.61196 -2.03319 136 4PX 0.00000 0.01812 -0.01452 0.03416 0.00190 137 4PY -0.00935 0.00915 0.01175 0.02871 0.02764 138 4PZ -0.00168 0.00131 0.01898 -0.01321 -0.02753 139 5PX 0.07094 -0.68214 0.39399 -1.01900 0.19955 140 5PY 0.19488 0.24778 -0.46930 -0.82011 -0.42903 141 5PZ -0.08832 -0.02555 -0.71642 0.29093 0.23931 142 6PX 0.07259 -0.02316 0.05930 0.19188 -0.98538 143 6PY 0.18399 0.00535 0.76019 0.24063 0.39299 144 6PZ -0.14258 0.60988 1.24620 0.48472 -0.40125 145 7D 0 -0.05621 -0.06998 -0.10989 -0.00928 0.03549 146 7D+1 -0.02002 0.03446 0.01891 0.04288 -0.03364 147 7D-1 0.00683 0.01317 0.01223 -0.04438 -0.01626 148 7D+2 -0.01154 0.04191 -0.06959 0.03120 -0.06865 149 7D-2 -0.03700 -0.02163 0.03612 0.01780 -0.00511 150 8D 0 0.17642 0.22283 0.39288 0.01970 -0.11833 151 8D+1 0.05499 -0.10473 -0.04735 -0.16395 0.10988 152 8D-1 -0.02289 -0.05007 -0.03569 0.15635 0.04000 153 8D+2 0.03881 -0.14186 0.23236 -0.11452 0.24124 154 8D-2 0.11835 0.08613 -0.12616 -0.03975 0.01613 155 8 Cu 1S 0.11226 0.36606 -0.73325 -0.68086 0.16679 156 2S 0.18737 0.69800 -1.43605 -1.36095 0.42370 157 3S -1.63491 -1.10484 2.35914 1.82882 1.52076 158 4PX -0.00666 -0.00494 -0.00289 -0.00961 -0.01015 159 4PY -0.00877 -0.01897 0.01195 0.00117 0.02613 160 4PZ -0.01498 -0.02544 -0.00207 -0.00321 0.01293 161 5PX 0.11940 -0.00779 -0.00515 0.33171 0.25453 162 5PY 0.29908 0.20945 -0.05044 0.03070 -0.72222 163 5PZ 0.27258 0.22221 0.75618 0.63668 -0.87562 164 6PX -0.22559 0.11036 0.38524 -0.53705 -0.46318 165 6PY 0.03391 -0.02706 -0.04448 0.05370 0.25089 166 6PZ 0.09394 0.02429 -0.74753 -0.77688 -0.03024 167 7D 0 0.01317 0.00174 0.09586 0.04061 -0.04490 168 7D+1 0.06719 0.05127 0.02165 0.07494 0.09064 169 7D-1 0.01656 -0.01566 0.05234 0.01631 -0.08623 170 7D+2 0.01827 0.00533 0.04590 0.01285 0.04209 171 7D-2 0.01476 -0.00280 -0.03154 -0.01937 0.05127 172 8D 0 -0.03267 0.02208 -0.33218 -0.16126 0.17834 173 8D+1 -0.20220 -0.16610 -0.06228 -0.25296 -0.31830 174 8D-1 -0.04269 0.08281 -0.19883 -0.05746 0.31326 175 8D+2 -0.04926 -0.01528 -0.14511 -0.05887 -0.13663 176 8D-2 -0.04498 -0.00384 0.10235 0.07788 -0.17618 177 9 C 1S -0.01938 0.01136 0.00193 0.00071 0.00351 178 2S -0.06259 -0.13004 0.07824 -0.03155 0.01243 179 3S -2.24153 1.47304 0.77292 -0.04495 0.28227 180 4PX -0.05917 0.02014 -0.00422 0.00606 0.04115 181 4PY 0.20745 -0.21662 0.00087 -0.02278 -0.05252 182 4PZ 0.05002 0.00245 -0.02657 -0.05486 0.01383 183 5PX 0.07654 0.17015 0.04269 -0.05306 -0.06804 184 5PY 0.51517 0.00514 -0.54012 0.05535 -0.36076 185 5PZ -0.18149 -0.25189 0.17391 0.38574 -0.17616 186 10 O 1S 0.07171 -0.03255 -0.02260 0.00472 -0.00871 187 2S -1.59749 0.75492 0.60149 -0.10784 0.28388 188 3S 2.93732 -1.44815 -1.21671 0.19739 -0.63097 189 4PX 0.04890 0.03815 -0.01158 -0.00763 -0.03360 190 4PY -0.05537 0.00923 0.00584 -0.01485 -0.02243 191 4PZ -0.04007 -0.02567 0.03683 0.05528 -0.02828 192 5PX -0.32770 -0.00937 0.10128 0.02064 0.13465 193 5PY 0.94767 -0.49650 -0.27332 0.06458 -0.09597 194 5PZ 0.26128 0.03126 -0.17018 -0.18941 0.06440 191 192 193 194 V V V V EIGENVALUES -- 2.05914 3.09999 4.17435 10.44262 1 1 Cu 1S -0.45156 -0.67510 -1.18482 -1.51314 2 2S -0.90097 -1.24920 -2.03140 -2.40938 3 3S 1.55968 2.72924 6.59375 3.52748 4 4PX 0.02095 -0.00631 0.07695 0.03772 5 4PY -0.02200 0.03970 0.00149 0.07808 6 4PZ -0.01678 0.09421 -0.06894 -0.00399 7 5PX -0.52192 0.75945 -1.28717 -0.74186 8 5PY -0.13944 -1.57891 -0.09500 1.10015 9 5PZ 0.40075 -3.01117 1.91298 0.56794 10 6PX 1.69714 -2.68932 -1.71026 -1.09993 11 6PY -2.91275 1.30962 -1.65985 -1.18316 12 6PZ -3.40115 5.28108 -1.05538 2.68599 13 7D 0 0.07609 0.01781 0.00903 -0.00319 14 7D+1 -0.03329 -0.04088 0.00487 -0.00385 15 7D-1 0.02507 -0.03678 0.03392 0.00612 16 7D+2 -0.02332 -0.00276 -0.02866 -0.00403 17 7D-2 -0.01014 -0.02116 0.00534 -0.01209 18 8D 0 -0.31483 -0.10275 -0.07088 0.05222 19 8D+1 0.16039 0.18453 -0.00596 0.02273 20 8D-1 -0.12906 0.13279 -0.16099 -0.04878 21 8D+2 0.07326 -0.00335 0.10105 0.08296 22 8D-2 0.05229 0.09384 -0.01646 0.04650 23 2 Cu 1S -0.20905 0.51888 1.03064 -3.19798 24 2S -0.43254 0.89050 1.79523 -5.16402 25 3S -0.15157 -3.13677 -5.09406 8.55071 26 4PX -0.02741 0.00490 0.01629 0.03407 27 4PY 0.05205 -0.03929 -0.02870 -0.05800 28 4PZ 0.03932 0.02333 -0.02374 -0.01220 29 5PX 0.46136 0.51450 0.37391 -2.57543 30 5PY -0.84702 -1.76907 -1.87574 6.90721 31 5PZ -0.64200 -0.92447 0.17660 1.69190 32 6PX -0.51400 0.87565 -0.10178 0.01016 33 6PY -0.30036 0.46121 0.51884 -0.76420 34 6PZ 0.70681 -1.36404 0.23867 -1.12136 35 7D 0 0.03110 -0.00602 0.01368 -0.04655 36 7D+1 -0.02543 0.01201 -0.00103 -0.00773 37 7D-1 0.01582 0.01761 -0.02992 0.02956 38 7D+2 0.06016 -0.00518 0.01779 -0.05426 39 7D-2 -0.01345 0.01054 0.01467 -0.02509 40 8D 0 -0.11278 0.00497 -0.09721 0.32394 41 8D+1 0.10131 -0.05090 -0.00380 0.05937 42 8D-1 -0.04700 -0.03823 0.15391 -0.21624 43 8D+2 -0.21480 -0.00819 -0.13388 0.42797 44 8D-2 0.03989 -0.07079 -0.09304 0.22808 45 3 Cu 1S 0.25045 -1.22861 0.57204 -0.30432 46 2S 0.54393 -2.18780 1.09780 -0.41104 47 3S -1.03882 2.61011 -1.24482 -0.51057 48 4PX 0.01029 0.01844 -0.00095 0.02208 49 4PY -0.00130 0.00568 0.01536 0.00756 50 4PZ -0.01515 -0.03223 0.00530 -0.01723 51 5PX -0.30022 0.26085 -0.30569 -0.11356 52 5PY 0.27155 -0.54309 -0.05575 0.18928 53 5PZ 0.70488 -0.70610 0.95558 -0.16334 54 6PX -0.72633 0.69084 0.55980 0.46522 55 6PY -0.45999 1.43598 0.00892 1.29815 56 6PZ -0.94634 0.45379 -0.10389 -0.39345 57 7D 0 -0.08108 0.01278 -0.04703 0.00541 58 7D+1 0.06166 -0.00762 0.03484 0.00961 59 7D-1 -0.04832 0.01104 -0.05289 -0.00846 60 7D+2 -0.01791 -0.02615 0.00593 0.01825 61 7D-2 0.00942 -0.00442 0.00434 -0.00327 62 8D 0 0.29509 -0.06358 0.21955 -0.04255 63 8D+1 -0.22549 0.04648 -0.16312 -0.02581 64 8D-1 0.18587 -0.05897 0.22291 0.05483 65 8D+2 0.05615 0.10095 -0.02204 -0.09565 66 8D-2 -0.03860 0.02533 -0.02248 0.00075 67 4 Cu 1S -0.13585 -0.91690 -0.33987 -0.90787 68 2S -0.30677 -1.65627 -0.53896 -1.45074 69 3S -0.21841 1.97204 0.66903 -0.43574 70 4PX -0.00100 -0.02809 -0.00306 -0.03733 71 4PY -0.01202 -0.01737 -0.01281 0.01344 72 4PZ 0.01518 -0.02184 -0.02326 -0.03253 73 5PX -0.00073 0.00682 0.11839 -0.70799 74 5PY 0.12914 -0.14322 0.00698 0.57453 75 5PZ -0.45295 -0.32625 0.48797 -0.35063 76 6PX -1.36874 0.67608 0.99349 -0.23025 77 6PY -0.56476 -0.25425 -1.09665 0.77057 78 6PZ 1.38315 -0.37714 -0.00472 -0.04284 79 7D 0 0.06537 0.00353 -0.01747 -0.00146 80 7D+1 -0.02346 0.01751 -0.00815 0.01181 81 7D-1 -0.05040 -0.00344 -0.02078 -0.00922 82 7D+2 0.00576 -0.01669 0.00606 0.00455 83 7D-2 0.00646 0.00448 -0.00261 -0.00064 84 8D 0 -0.23807 -0.01871 0.06898 0.00441 85 8D+1 0.09345 -0.07683 0.04926 -0.09577 86 8D-1 0.17187 -0.00299 0.07714 0.06480 87 8D+2 -0.02532 0.05142 -0.02086 -0.03959 88 8D-2 -0.03202 -0.03434 0.00988 0.02972 89 5 Cu 1S 0.61205 0.55304 -0.58903 -0.66570 90 2S 1.14895 1.01127 -1.00175 -1.04286 91 3S -2.78726 -1.92624 -0.03445 -2.30108 92 4PX -0.01681 -0.00437 0.01612 0.01466 93 4PY -0.00514 0.01269 -0.02353 0.01150 94 4PZ -0.02213 -0.02224 0.01671 0.03396 95 5PX 0.15920 0.06689 -0.12328 -0.06286 96 5PY -0.55241 -0.11020 -0.13268 0.12800 97 5PZ -0.10294 -0.51184 0.18566 0.93172 98 6PX 0.16893 0.21287 0.29299 -0.29466 99 6PY 0.32130 -1.20090 -0.34971 0.10764 100 6PZ 0.49248 -0.65214 -0.40365 0.69763 101 7D 0 -0.04280 -0.01813 0.01082 0.01433 102 7D+1 0.03370 -0.00709 -0.00719 -0.00401 103 7D-1 -0.00375 0.03217 0.00979 -0.00768 104 7D+2 0.03231 0.01332 -0.01140 0.00950 105 7D-2 -0.01348 -0.01011 0.01421 0.00322 106 8D 0 0.15675 0.09243 -0.04097 -0.11184 107 8D+1 -0.09487 0.03871 0.02572 0.00220 108 8D-1 0.02571 -0.14118 -0.02396 0.01995 109 8D+2 -0.08118 -0.05749 0.06163 -0.04276 110 8D-2 0.05561 0.04273 -0.04518 -0.01706 111 6 Cu 1S -0.57863 -0.22627 -0.80886 -0.07096 112 2S -1.11928 -0.39727 -1.36537 -0.09517 113 3S 1.42080 -1.01350 -0.08383 -1.80221 114 4PX -0.01187 0.00785 -0.03144 -0.00062 115 4PY -0.00535 0.01433 0.02849 -0.00100 116 4PZ -0.01006 -0.00007 -0.01660 -0.00301 117 5PX -0.36205 -0.13027 -0.32433 -0.24222 118 5PY 0.05554 -0.08291 0.12870 0.14685 119 5PZ -0.24958 -0.29742 0.26367 0.11344 120 6PX 0.37684 -0.40001 -0.70837 0.24011 121 6PY 0.19927 0.17188 -0.00368 0.14571 122 6PZ -0.07375 -0.20996 -0.42586 0.06523 123 7D 0 -0.01640 0.02026 -0.01147 0.00346 124 7D+1 0.00507 0.02206 -0.01784 -0.00515 125 7D-1 -0.02645 -0.01826 0.00322 -0.00265 126 7D+2 -0.03305 0.00104 0.01159 0.00533 127 7D-2 -0.02358 0.01913 0.00376 0.00882 128 8D 0 0.05299 -0.08573 0.05582 -0.01735 129 8D+1 -0.04368 -0.09218 0.06365 0.02181 130 8D-1 0.08267 0.07062 -0.01688 0.01219 131 8D+2 0.08718 0.00976 -0.05417 -0.03076 132 8D-2 0.08694 -0.07359 0.00683 -0.04595 133 7 Cu 1S 1.02817 -0.00026 -0.96902 -1.10351 134 2S 1.96774 0.02719 -1.71186 -1.76144 135 3S -3.47507 1.36666 1.54332 -0.78898 136 4PX 0.02476 0.00283 -0.02525 -0.05568 137 4PY 0.00934 -0.01545 -0.03878 0.00273 138 4PZ 0.01266 0.01341 0.01449 0.02953 139 5PX 0.00990 0.42242 -0.10745 -0.86244 140 5PY -0.54780 0.13847 -0.09663 0.46402 141 5PZ -0.86504 -0.59740 0.02667 0.53169 142 6PX -0.12774 0.74787 0.72151 -0.19468 143 6PY 0.48689 -0.98091 0.17448 0.86011 144 6PZ 2.10267 -0.54571 0.25847 -0.02808 145 7D 0 -0.04927 -0.01349 -0.01018 -0.00541 146 7D+1 0.05799 0.01678 -0.01779 -0.00963 147 7D-1 0.04095 0.02433 0.00940 0.00084 148 7D+2 0.00023 0.01610 0.00977 0.00384 149 7D-2 0.06595 -0.01634 0.00356 0.00343 150 8D 0 0.18331 0.04903 0.04503 0.03617 151 8D+1 -0.20437 -0.07862 0.06902 0.09158 152 8D-1 -0.14456 -0.10068 -0.03258 -0.01288 153 8D+2 0.01312 -0.04682 -0.03185 -0.05503 154 8D-2 -0.24153 0.06238 -0.02986 -0.00163 155 8 Cu 1S -0.43654 0.86767 -1.01425 -0.03280 156 2S -0.68333 1.64704 -1.70759 -0.01944 157 3S 4.84983 -1.37482 0.48697 -2.15810 158 4PX 0.00896 0.00837 0.00385 0.00116 159 4PY 0.02995 -0.00139 0.03350 0.00188 160 4PZ 0.03322 0.00158 0.03650 -0.00118 161 5PX -0.18662 0.43400 -0.34109 -0.10636 162 5PY -0.86026 -0.51926 0.20184 0.02463 163 5PZ -0.66849 -1.39831 0.40478 0.27936 164 6PX 0.93660 -0.50101 0.63475 0.01792 165 6PY 0.16780 -0.74220 0.56927 0.32296 166 6PZ -0.81341 0.77885 0.24643 -0.45533 167 7D 0 -0.03322 -0.07195 -0.01152 -0.00550 168 7D+1 -0.01365 0.04253 -0.01119 0.00624 169 7D-1 -0.05854 -0.05157 -0.00179 -0.01536 170 7D+2 0.00618 -0.01523 0.00406 0.00052 171 7D-2 -0.01261 0.03127 0.01293 0.01271 172 8D 0 0.11747 0.30080 0.03699 0.01919 173 8D+1 0.03230 -0.18060 0.04670 -0.02829 174 8D-1 0.19975 0.22333 -0.01221 0.07369 175 8D+2 -0.02118 0.06298 -0.00832 -0.00709 176 8D-2 0.02845 -0.13320 -0.04295 -0.05933 177 9 C 1S 0.00211 0.00781 0.01141 -0.05184 178 2S -0.02505 0.30099 0.26847 -1.03002 179 3S -1.16540 -0.72245 -0.57292 4.73448 180 4PX 0.03329 -0.00928 -0.00426 -0.08040 181 4PY 0.01586 0.01271 -0.07536 0.11627 182 4PZ -0.03948 -0.04802 0.01395 0.02695 183 5PX -0.23230 0.40486 0.65098 -0.96158 184 5PY 0.48021 -1.45323 -1.71526 4.23935 185 5PZ 0.31348 0.11290 -0.61538 0.94736 186 10 O 1S 0.01899 -0.00441 0.00038 -0.01062 187 2S -0.60072 0.39966 0.44701 -0.49327 188 3S 1.31966 -1.06474 -1.35867 1.72527 189 4PX -0.02878 0.03013 0.04531 -0.04464 190 4PY -0.01059 -0.05619 -0.06275 0.18511 191 4PZ 0.04083 0.04065 -0.05118 0.04673 192 5PX 0.01639 -0.06692 -0.12344 0.14313 193 5PY 0.33330 0.03268 -0.05711 -0.52127 194 5PZ -0.09141 -0.17857 0.17069 -0.19472 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 2.00543 2 2S 0.00956 0.29830 3 3S 0.04427 0.00033 0.80774 4 4PX 0.00323 0.00916 -0.08883 1.99720 5 4PY 0.00303 0.01516 -0.12261 -0.00228 1.99878 6 4PZ -0.00076 -0.00268 0.00104 -0.00079 0.00197 7 5PX -0.00712 -0.00995 -0.12759 0.03431 0.01569 8 5PY -0.00591 -0.02197 -0.07051 0.01626 0.04245 9 5PZ 0.00096 0.00184 0.03591 0.00168 -0.00371 10 6PX -0.01037 0.07527 -0.09354 -0.02560 0.03346 11 6PY -0.00843 0.06148 -0.04878 0.02545 -0.01987 12 6PZ 0.00526 -0.05727 0.10395 -0.00352 -0.00527 13 7D 0 0.00000 -0.03012 -0.15779 0.00318 -0.00074 14 7D+1 -0.00049 0.01974 0.10126 0.00053 -0.00163 15 7D-1 -0.00053 -0.02565 -0.15320 0.00026 0.00254 16 7D+2 0.00078 0.01207 0.08587 -0.00401 0.00416 17 7D-2 0.00040 0.01969 0.22401 -0.00064 -0.00525 18 8D 0 -0.00136 -0.00836 -0.05632 0.00140 0.00118 19 8D+1 0.00011 0.00482 0.03388 0.00084 -0.00006 20 8D-1 -0.00097 -0.00625 -0.05371 0.00036 0.00042 21 8D+2 0.00050 0.00287 0.02928 -0.00142 0.00251 22 8D-2 0.00104 0.00735 0.07565 -0.00131 -0.00235 23 2 Cu 1S -0.00386 -0.00630 -0.00930 -0.00059 0.00201 24 2S -0.00932 0.06448 -0.16185 -0.00574 0.03536 25 3S -0.00809 0.00915 -0.25483 0.01369 0.03718 26 4PX -0.00038 -0.00831 0.00221 0.00310 0.00358 27 4PY -0.00189 -0.03625 0.00614 0.00095 -0.00482 28 4PZ 0.00019 0.00401 0.00112 -0.00022 -0.00254 29 5PX 0.00050 0.04845 0.07352 -0.01240 -0.01286 30 5PY -0.00624 0.03630 -0.19935 0.00609 0.05246 31 5PZ -0.00001 -0.02626 -0.03098 0.00120 0.01527 32 6PX -0.00073 -0.02990 0.03141 0.00910 -0.00246 33 6PY -0.00251 0.00763 -0.04627 0.00664 0.00309 34 6PZ -0.00101 0.04147 -0.03988 -0.00283 -0.00511 35 7D 0 -0.00030 -0.04971 -0.06868 0.00373 -0.01643 36 7D+1 0.00035 0.00815 0.00079 -0.00169 -0.00066 37 7D-1 0.00055 0.01976 0.03385 -0.00085 0.01040 38 7D+2 0.00045 -0.05316 -0.12765 0.00005 -0.02634 39 7D-2 0.00150 0.00038 0.04033 -0.00889 -0.00277 40 8D 0 0.00001 -0.01710 -0.02432 0.00111 -0.00291 41 8D+1 0.00009 0.00121 0.00111 -0.00052 0.00006 42 8D-1 0.00031 0.00783 0.01254 -0.00038 0.00218 43 8D+2 0.00032 -0.01933 -0.04206 -0.00041 -0.00410 44 8D-2 0.00051 -0.00240 0.01482 -0.00358 -0.00040 45 3 Cu 1S -0.00228 -0.00565 -0.00387 -0.00097 0.00228 46 2S -0.00333 0.18540 -0.16976 -0.01936 0.01912 47 3S -0.00223 0.08076 -0.16290 -0.00056 0.00828 48 4PX 0.00106 0.00835 -0.00039 0.00112 0.00129 49 4PY 0.00146 0.00126 -0.03760 -0.00152 0.00127 50 4PZ -0.00042 -0.01506 -0.06504 -0.00087 -0.00163 51 5PX 0.00010 -0.00054 0.04457 -0.00711 -0.00218 52 5PY -0.00110 0.01685 -0.00616 0.00337 -0.00084 53 5PZ 0.00010 0.02768 -0.04231 0.00124 0.00801 54 6PX 0.00392 -0.01111 0.03716 0.00519 -0.01044 55 6PY 0.00311 -0.05182 0.02767 0.00383 0.00220 56 6PZ -0.00115 -0.01766 -0.03061 0.00736 -0.00194 57 7D 0 0.00226 0.05014 0.16372 -0.01619 0.01712 58 7D+1 -0.00002 -0.03278 -0.15639 -0.00571 -0.00908 59 7D-1 0.00373 0.06369 0.16223 -0.01353 -0.00320 60 7D+2 -0.00159 -0.01311 0.00295 0.00597 0.00348 61 7D-2 -0.00056 -0.02221 -0.07977 -0.00282 -0.00102 62 8D 0 0.00190 0.01828 0.05671 -0.00415 0.00476 63 8D+1 -0.00085 -0.01315 -0.05193 -0.00393 -0.00192 64 8D-1 0.00223 0.02167 0.05693 -0.00322 -0.00236 65 8D+2 -0.00068 -0.00377 -0.00127 0.00202 0.00154 66 8D-2 -0.00039 -0.00723 -0.02724 -0.00228 0.00001 67 4 Cu 1S -0.00353 -0.01111 0.00211 0.00334 0.00212 68 2S -0.01037 0.05398 -0.13293 0.02914 0.02019 69 3S -0.00264 -0.04379 0.00018 0.01542 0.01087 70 4PX -0.00266 -0.02767 -0.00801 0.00397 -0.00208 71 4PY -0.00101 -0.00961 -0.00072 -0.00040 0.00358 72 4PZ -0.00115 -0.00714 -0.03520 -0.00243 -0.00130 73 5PX -0.00300 0.04801 -0.02054 -0.00392 0.00846 74 5PY -0.00099 0.02174 0.00789 0.00726 -0.00352 75 5PZ -0.00181 -0.00515 -0.00151 0.00910 0.00605 76 6PX 0.00238 -0.01911 0.02009 0.00349 -0.01037 77 6PY -0.00239 0.00036 -0.02736 -0.00666 0.00944 78 6PZ -0.00107 0.00993 -0.02649 -0.00594 0.00664 79 7D 0 0.00042 0.00116 0.03883 0.00430 0.00261 80 7D+1 0.00086 0.04701 0.24682 0.01920 0.01147 81 7D-1 0.00135 0.02185 0.21292 0.01367 0.00621 82 7D+2 -0.00089 -0.00697 0.07423 0.00176 0.00930 83 7D-2 0.00169 0.04376 0.20402 0.01182 -0.00049 84 8D 0 0.00031 0.00091 0.01389 0.00183 0.00118 85 8D+1 0.00039 0.01606 0.08600 0.00412 0.00308 86 8D-1 0.00062 0.00760 0.07097 0.00362 0.00145 87 8D+2 -0.00035 -0.00199 0.02324 -0.00120 0.00332 88 8D-2 0.00056 0.01479 0.06834 0.00252 -0.00075 89 5 Cu 1S -0.00297 -0.00797 -0.00262 0.00071 0.00260 90 2S -0.00771 0.11152 -0.13936 -0.00806 0.02895 91 3S -0.00741 0.02648 -0.14936 0.00598 0.02342 92 4PX 0.00070 0.00190 -0.01116 0.00164 0.00095 93 4PY -0.00119 -0.01759 -0.01890 -0.00056 0.00358 94 4PZ 0.00136 0.01597 0.06306 0.00053 0.00202 95 5PX 0.00013 0.01340 0.01795 -0.00710 0.00071 96 5PY -0.00194 0.03657 -0.01532 0.00332 -0.00204 97 5PZ 0.00237 -0.02372 0.02945 -0.00366 -0.00793 98 6PX 0.00111 0.00726 -0.00311 0.00753 -0.00779 99 6PY -0.00088 -0.00298 -0.03497 0.00342 -0.00173 100 6PZ 0.00079 0.00627 0.02572 -0.00627 0.00164 101 7D 0 0.00149 0.02875 0.16034 -0.00126 0.01758 102 7D+1 -0.00049 0.00458 -0.00359 0.01076 -0.00051 103 7D-1 -0.00221 -0.06188 -0.31281 0.00409 -0.01400 104 7D+2 -0.00118 -0.02063 -0.04269 0.00051 -0.00150 105 7D-2 0.00137 0.01380 -0.03023 -0.00883 -0.00553 106 8D 0 0.00090 0.01117 0.05514 0.00005 0.00439 107 8D+1 -0.00006 0.00221 -0.00021 0.00456 -0.00063 108 8D-1 -0.00123 -0.02082 -0.10548 0.00014 -0.00228 109 8D+2 -0.00051 -0.00673 -0.01437 -0.00017 0.00101 110 8D-2 0.00048 0.00429 -0.00986 -0.00376 -0.00171 111 6 Cu 1S -0.00258 -0.00758 -0.00253 0.00455 -0.00032 112 2S -0.00660 0.07151 -0.00446 0.04546 -0.02727 113 3S -0.01095 0.00805 -0.15731 0.03039 0.01143 114 4PX -0.00146 -0.02207 -0.06444 0.00116 -0.00039 115 4PY 0.00027 0.00196 0.01856 0.00255 0.00200 116 4PZ -0.00104 -0.00683 0.01264 -0.00029 0.00182 117 5PX -0.00430 0.03806 -0.03250 0.01028 0.00186 118 5PY 0.00201 0.01300 0.02942 -0.00730 -0.00869 119 5PZ 0.00020 0.00804 0.00745 -0.00120 -0.00292 120 6PX -0.00186 -0.00163 -0.05348 -0.00771 0.01346 121 6PY 0.00076 -0.00416 0.03616 -0.00510 0.00687 122 6PZ -0.00287 -0.00402 -0.01510 0.00427 0.00555 123 7D 0 -0.00253 -0.04591 -0.13173 -0.01439 0.00934 124 7D+1 -0.00123 -0.01488 -0.10224 -0.00218 0.00261 125 7D-1 0.00075 0.00202 -0.03003 0.00014 0.00031 126 7D+2 0.00213 0.04208 0.17552 0.02106 -0.01441 127 7D-2 -0.00046 -0.02079 -0.22685 -0.02093 -0.00185 128 8D 0 -0.00093 -0.01523 -0.04623 -0.00300 0.00214 129 8D+1 -0.00049 -0.00566 -0.03379 -0.00052 0.00071 130 8D-1 0.00029 0.00042 -0.01043 -0.00025 0.00007 131 8D+2 0.00069 0.01457 0.05785 0.00450 -0.00422 132 8D-2 -0.00020 -0.00749 -0.08018 -0.00567 -0.00285 133 7 Cu 1S -0.00305 -0.01259 -0.00381 0.00277 0.00185 134 2S -0.01269 -0.00024 -0.13559 0.03316 0.02664 135 3S -0.00918 -0.05816 0.07574 0.01372 0.00386 136 4PX -0.00166 -0.02190 -0.01493 0.00220 -0.00354 137 4PY -0.00115 -0.01705 -0.00099 -0.00190 0.00458 138 4PZ 0.00038 0.00164 0.02044 0.00241 0.00148 139 5PX -0.00564 0.02577 -0.00685 0.00160 0.01157 140 5PY -0.00348 0.01847 0.00825 0.01206 -0.00407 141 5PZ 0.00218 0.00623 0.00485 -0.00871 -0.00176 142 6PX -0.00066 0.00067 0.00259 0.00564 -0.00879 143 6PY 0.00266 0.00726 0.00395 -0.01529 0.00243 144 6PZ 0.00188 -0.00567 -0.01084 0.00563 -0.00054 145 7D 0 -0.00060 -0.01771 -0.11081 -0.00602 -0.00642 146 7D+1 -0.00032 -0.01982 -0.08363 -0.01014 -0.00712 147 7D-1 -0.00157 -0.02389 -0.12882 -0.00853 -0.00365 148 7D+2 0.00018 0.00373 0.03144 0.00195 0.00410 149 7D-2 0.00075 0.02905 0.26502 0.01824 0.00949 150 8D 0 0.00007 -0.00591 -0.03837 -0.00123 -0.00173 151 8D+1 0.00021 -0.00666 -0.03092 -0.00325 -0.00217 152 8D-1 -0.00039 -0.00765 -0.04216 -0.00305 -0.00098 153 8D+2 -0.00016 0.00114 0.01051 -0.00051 0.00230 154 8D-2 -0.00035 0.00894 0.08922 0.00543 0.00273 155 8 Cu 1S -0.00297 -0.00688 0.00406 0.00300 -0.00102 156 2S -0.00399 0.15674 -0.04617 0.01529 -0.02795 157 3S -0.00028 0.07931 -0.19800 -0.00334 -0.00202 158 4PX 0.00091 -0.00439 -0.03365 0.00241 -0.00252 159 4PY 0.00200 0.01076 -0.01306 -0.00016 0.00201 160 4PZ 0.00098 0.01274 0.04963 0.00130 0.00009 161 5PX -0.00083 0.02478 -0.02083 -0.00521 0.00429 162 5PY -0.00029 -0.00706 0.04537 0.00013 -0.00864 163 5PZ -0.00072 -0.02367 0.03215 -0.00561 0.00227 164 6PX 0.00041 -0.02030 -0.01440 0.00410 0.00490 165 6PY 0.00254 -0.00656 0.03517 -0.00317 0.00129 166 6PZ 0.00013 0.01629 0.04507 0.00354 -0.00541 167 7D 0 0.00226 0.05288 0.10913 0.01631 -0.01735 168 7D+1 -0.00250 -0.06160 -0.10967 -0.00029 0.01876 169 7D-1 0.00122 0.05134 0.25575 0.01259 -0.00140 170 7D+2 0.00063 0.00712 -0.07344 -0.00909 -0.00334 171 7D-2 -0.00092 -0.01226 -0.06340 -0.00188 -0.00011 172 8D 0 0.00180 0.01938 0.03981 0.00458 -0.00479 173 8D+1 -0.00167 -0.02011 -0.04061 0.00119 0.00492 174 8D-1 0.00139 0.01747 0.08982 0.00324 0.00213 175 8D+2 0.00021 0.00319 -0.02412 -0.00344 -0.00173 176 8D-2 -0.00083 -0.00544 -0.02226 0.00024 -0.00094 177 9 C 1S -0.00002 0.01290 -0.01988 -0.00048 0.00371 178 2S 0.00201 -0.02328 0.06213 -0.00001 -0.01158 179 3S 0.00297 -0.05378 0.07492 0.00928 0.00192 180 4PX 0.00031 0.03958 -0.03644 -0.00587 -0.00301 181 4PY 0.00151 -0.01857 0.14921 -0.00020 -0.00961 182 4PZ -0.00007 -0.02190 0.02273 0.00073 0.00363 183 5PX 0.00074 0.02050 -0.00018 -0.00280 -0.00702 184 5PY 0.00171 -0.01966 -0.01654 0.00261 0.00287 185 5PZ -0.00036 -0.01151 -0.00906 0.00126 0.00469 186 10 O 1S 0.00015 -0.00182 -0.02172 0.00009 -0.00098 187 2S -0.00071 0.00663 0.03879 -0.00038 0.00299 188 3S -0.00045 -0.00141 0.06423 -0.00037 0.00343 189 4PX -0.00070 -0.03103 0.04471 0.00515 0.00349 190 4PY -0.00007 0.00594 -0.13568 -0.00004 0.00724 191 4PZ 0.00070 0.01849 -0.02448 -0.00084 -0.00355 192 5PX -0.00064 -0.02039 0.01502 0.00319 0.00457 193 5PY -0.00035 0.00135 -0.02708 -0.00092 0.00188 194 5PZ 0.00046 0.01163 -0.00421 -0.00077 -0.00333 6 7 8 9 10 6 4PZ 2.00149 7 5PX 0.00256 0.09995 8 5PY -0.00485 -0.00659 0.08829 9 5PZ 0.00964 -0.02948 0.02306 0.14076 10 6PX 0.00031 0.01605 -0.00289 -0.02233 0.12293 11 6PY -0.00436 -0.00161 0.00259 0.01735 -0.06451 12 6PZ -0.05908 -0.02411 0.00865 0.06035 -0.13628 13 7D 0 0.00058 -0.04791 -0.02131 -0.01554 -0.06948 14 7D+1 -0.00360 0.01465 0.01016 0.03234 0.03023 15 7D-1 -0.00483 0.01757 -0.02828 0.06083 0.10140 16 7D+2 0.00092 0.06490 -0.09739 0.01650 0.06566 17 7D-2 -0.00115 0.00896 0.03409 0.01470 0.01134 18 8D 0 0.00013 -0.01529 -0.00714 -0.00520 -0.02258 19 8D+1 -0.00144 0.00594 0.00443 0.00950 0.00812 20 8D-1 -0.00126 0.00593 -0.00952 0.01936 0.03346 21 8D+2 0.00074 0.02038 -0.03184 0.00591 0.02145 22 8D-2 0.00005 0.00172 0.00983 0.00503 0.00333 23 2 Cu 1S 0.00019 0.00017 0.00739 0.00177 0.00549 24 2S 0.00709 0.02389 -0.03677 -0.01372 0.05430 25 3S 0.00349 0.01977 0.04245 0.00870 0.06779 26 4PX 0.00055 -0.00651 -0.01084 -0.00198 -0.00368 27 4PY -0.00240 -0.00272 0.01573 0.00525 -0.00703 28 4PZ 0.00503 0.00170 0.00473 -0.01301 -0.00338 29 5PX -0.00312 0.01095 0.00258 0.00334 -0.00559 30 5PY 0.01135 0.03447 0.01093 -0.01023 0.05664 31 5PZ -0.01397 0.00397 -0.00953 0.01620 -0.01060 32 6PX -0.00539 -0.00439 -0.00805 0.00383 -0.02818 33 6PY -0.00201 0.00982 -0.01490 -0.00490 -0.00406 34 6PZ 0.02079 0.00808 0.00355 -0.02112 0.05076 35 7D 0 -0.00487 -0.02326 0.05813 0.01449 -0.02395 36 7D+1 -0.00161 0.01116 -0.00560 0.00509 0.05235 37 7D-1 -0.00671 0.00534 -0.02300 -0.00769 0.01713 38 7D+2 -0.00638 0.01998 0.09635 0.01821 0.06924 39 7D-2 -0.00069 0.01920 -0.02464 -0.00620 -0.07220 40 8D 0 -0.00141 -0.00726 0.02004 0.00415 -0.00738 41 8D+1 -0.00080 0.00323 -0.00214 0.00209 0.01677 42 8D-1 -0.00337 0.00180 -0.00743 -0.00417 0.00508 43 8D+2 -0.00185 0.00729 0.03330 0.00560 0.02289 44 8D-2 -0.00023 0.00578 -0.00792 -0.00164 -0.02471 45 3 Cu 1S 0.00406 0.00111 0.00090 -0.00089 -0.01057 46 2S 0.04285 0.06688 -0.02235 -0.10264 0.08316 47 3S 0.00152 0.00796 0.03678 0.04884 -0.05191 48 4PX 0.00203 -0.00194 -0.00524 -0.01645 0.01631 49 4PY 0.00218 0.00771 -0.00789 -0.00690 0.00403 50 4PZ 0.00170 -0.00237 0.01474 0.00617 -0.03402 51 5PX -0.00478 0.00505 0.00250 0.00610 0.00680 52 5PY 0.00113 -0.00718 0.00711 0.01425 0.00270 53 5PZ -0.00349 -0.00650 -0.00063 0.01844 0.00026 54 6PX -0.00181 -0.00011 0.00136 -0.00453 -0.02968 55 6PY -0.01491 -0.00436 0.00315 0.01554 -0.03774 56 6PZ -0.00268 -0.00018 0.00731 0.01296 -0.02439 57 7D 0 0.01890 0.07751 -0.09773 -0.07498 0.01963 58 7D+1 -0.01997 0.05282 0.02422 0.08722 0.07915 59 7D-1 0.02658 0.06482 -0.03377 -0.15866 0.05225 60 7D+2 -0.00454 -0.01269 -0.02270 0.06202 0.03928 61 7D-2 -0.01383 0.03114 0.00605 0.05061 0.08895 62 8D 0 0.00185 0.02633 -0.03329 -0.02603 0.00677 63 8D+1 -0.00377 0.01697 0.00891 0.03158 0.02541 64 8D-1 0.00568 0.02142 -0.01121 -0.05263 0.01705 65 8D+2 -0.00140 -0.00355 -0.00806 0.01979 0.01347 66 8D-2 -0.00361 0.01025 0.00176 0.01731 0.03001 67 4 Cu 1S 0.00244 0.00298 0.00259 0.00182 -0.00247 68 2S 0.03637 -0.03402 -0.02273 -0.06682 0.05984 69 3S 0.00140 -0.00094 0.01119 0.00297 0.03161 70 4PX -0.00156 -0.00342 0.00585 0.00717 0.02481 71 4PY 0.00096 0.00492 -0.01381 -0.00703 -0.00398 72 4PZ 0.00171 0.01595 0.00606 -0.00313 -0.00583 73 5PX 0.00616 0.01783 -0.00138 -0.00568 0.03552 74 5PY 0.00312 -0.00179 0.01458 0.00091 -0.00120 75 5PZ -0.00327 -0.00694 -0.00410 0.00473 0.00202 76 6PX -0.01519 0.01589 -0.00018 -0.00871 -0.02778 77 6PY -0.00719 -0.00301 0.01034 0.01274 0.00338 78 6PZ 0.00403 0.00396 0.00451 0.00483 0.03519 79 7D 0 -0.00590 0.01290 0.00140 0.02706 -0.06257 80 7D+1 0.01410 -0.08710 -0.04256 -0.05044 0.08361 81 7D-1 0.00793 -0.05257 -0.08018 -0.03686 -0.06210 82 7D+2 0.00623 -0.03861 -0.03055 -0.00616 -0.04323 83 7D-2 0.01783 -0.05256 -0.04338 -0.07706 -0.03983 84 8D 0 -0.00247 0.00465 -0.00033 0.00761 -0.01975 85 8D+1 0.00215 -0.03037 -0.01473 -0.01741 0.02820 86 8D-1 0.00102 -0.01740 -0.02713 -0.01248 -0.02063 87 8D+2 0.00130 -0.01361 -0.01013 -0.00189 -0.01371 88 8D-2 0.00488 -0.01747 -0.01428 -0.02575 -0.01404 89 5 Cu 1S -0.00373 -0.00011 0.00403 -0.00112 -0.00529 90 2S -0.04134 0.02845 -0.03226 0.07289 0.01442 91 3S -0.01049 0.02437 0.01271 -0.02198 -0.02168 92 4PX -0.00221 -0.00746 -0.00093 0.01199 0.00554 93 4PY 0.00005 -0.00119 -0.00491 -0.00176 -0.01024 94 4PZ 0.00172 0.00078 -0.01751 -0.00201 0.01234 95 5PX 0.00243 0.00967 0.00056 -0.00597 0.01474 96 5PY -0.00588 0.00278 0.01659 -0.00364 0.00347 97 5PZ -0.00047 0.00139 -0.00025 0.01080 0.00581 98 6PX 0.00518 0.00139 -0.00195 0.00913 -0.01217 99 6PY 0.01543 0.00756 0.01299 -0.01228 0.02025 100 6PZ -0.00097 -0.00302 -0.00454 0.00401 0.01521 101 7D 0 -0.01087 -0.01265 -0.04026 0.04399 -0.03215 102 7D+1 -0.00332 -0.06344 0.03030 0.02551 -0.06546 103 7D-1 0.02987 0.00333 0.08829 -0.12215 0.07649 104 7D+2 0.01329 0.02108 0.02992 -0.07521 0.02086 105 7D-2 0.00138 0.05097 0.02283 0.02063 -0.04420 106 8D 0 -0.00061 -0.00476 -0.01349 0.01576 -0.01131 107 8D+1 -0.00084 -0.02121 0.00940 0.01000 -0.02281 108 8D-1 0.00598 0.00086 0.03029 -0.04101 0.02593 109 8D+2 0.00316 0.00704 0.01006 -0.02536 0.00737 110 8D-2 0.00019 0.01708 0.00793 0.00670 -0.01495 111 6 Cu 1S -0.00029 0.00486 -0.00126 -0.00036 -0.00134 112 2S -0.00384 -0.07024 0.04499 0.00931 0.01309 113 3S 0.00483 0.03793 0.00259 -0.01745 0.02226 114 4PX 0.00072 0.00753 0.00389 0.00808 0.00603 115 4PY 0.00042 -0.01319 -0.00463 -0.00109 0.00764 116 4PZ 0.00329 0.00231 -0.00564 -0.01229 -0.00371 117 5PX -0.00151 0.01989 -0.00358 -0.00274 0.01530 118 5PY -0.00045 0.00121 0.01521 0.00135 0.00312 119 5PZ -0.00925 0.00222 0.00453 0.01065 -0.00538 120 6PX -0.00020 0.00815 0.00756 0.00209 0.01317 121 6PY 0.00112 -0.01456 0.00188 0.00468 0.00844 122 6PZ 0.01001 -0.00239 0.00051 0.00691 -0.00323 123 7D 0 0.00230 0.07754 -0.04134 -0.01701 0.04263 124 7D+1 -0.01092 0.00009 -0.02151 0.04779 0.05505 125 7D-1 0.00061 -0.00969 0.00033 0.01125 0.02275 126 7D+2 0.00011 -0.12094 0.04700 -0.01033 0.08076 127 7D-2 0.00075 0.07446 0.04110 -0.02902 -0.01510 128 8D 0 0.00129 0.02640 -0.01368 -0.00561 0.01487 129 8D+1 -0.00489 -0.00093 -0.00708 0.01540 0.01848 130 8D-1 0.00063 -0.00331 0.00044 0.00432 0.00722 131 8D+2 -0.00001 -0.04008 0.01566 -0.00409 0.02771 132 8D-2 0.00054 0.02580 0.01422 -0.01006 -0.00505 133 7 Cu 1S -0.00138 0.00442 0.00607 -0.00022 -0.00611 134 2S -0.01654 -0.04506 -0.02847 0.03299 -0.00126 135 3S -0.00508 -0.00318 -0.00294 0.00510 -0.05170 136 4PX 0.00178 0.00433 0.01410 -0.00921 0.00599 137 4PY 0.00081 0.01103 -0.00931 -0.00448 -0.01666 138 4PZ 0.00402 -0.01156 -0.00775 -0.00806 0.01205 139 5PX -0.00817 0.00882 -0.00783 0.00536 0.00941 140 5PY -0.00297 -0.00238 0.01270 0.00027 -0.00394 141 5PZ -0.00782 0.00768 -0.00017 0.00349 0.00792 142 6PX 0.00921 0.01725 -0.00303 0.00372 -0.01404 143 6PY 0.00630 0.00068 0.02880 -0.00860 0.04165 144 6PZ 0.01422 0.00285 0.00126 0.01155 0.02596 145 7D 0 0.00443 0.05159 0.04157 -0.00238 0.01754 146 7D+1 0.00177 0.03899 0.00374 -0.04555 -0.06438 147 7D-1 -0.00067 0.02976 0.04214 -0.03378 0.08101 148 7D+2 -0.00401 -0.05303 0.03932 0.01637 0.02026 149 7D-2 -0.01039 -0.09310 -0.08302 0.03380 -0.01320 150 8D 0 0.00159 0.01759 0.01404 0.00047 0.00645 151 8D+1 -0.00019 0.01389 0.00131 -0.01691 -0.02108 152 8D-1 -0.00133 0.00995 0.01445 -0.01264 0.02750 153 8D+2 -0.00164 -0.01921 0.01362 0.00564 0.00624 154 8D-2 -0.00329 -0.03069 -0.02842 0.01038 -0.00344 155 8 Cu 1S -0.00450 0.00052 -0.00113 -0.00058 0.00613 156 2S -0.04114 -0.02149 0.05864 0.08549 0.03343 157 3S 0.00368 0.05254 -0.00072 -0.06493 0.12992 158 4PX -0.00091 -0.00571 0.00857 0.00267 0.03441 159 4PY -0.00156 -0.00292 0.00443 0.01830 -0.01305 160 4PZ 0.00154 -0.01098 0.00371 0.00832 -0.03397 161 5PX -0.00272 0.01614 -0.01007 -0.00722 0.00761 162 5PY 0.00362 -0.00502 0.01472 -0.00136 -0.01478 163 5PZ -0.00202 0.00113 0.00409 0.01628 -0.01864 164 6PX 0.01077 0.00353 -0.00099 -0.00752 0.01638 165 6PY -0.00036 -0.00292 0.00125 0.00141 0.01193 166 6PZ -0.00346 -0.01227 -0.00159 0.01654 -0.01953 167 7D 0 -0.01325 -0.07121 0.06537 0.07649 0.02225 168 7D+1 0.02397 0.02878 -0.11010 -0.12907 0.07767 169 7D-1 -0.02500 -0.06618 -0.02996 0.10709 -0.00147 170 7D+2 -0.00113 0.05145 0.03082 0.04546 -0.04846 171 7D-2 0.01387 0.03934 -0.00067 -0.06845 -0.00034 172 8D 0 -0.00112 -0.02470 0.02298 0.02676 0.00759 173 8D+1 0.00504 0.00982 -0.03675 -0.04273 0.02639 174 8D-1 -0.00496 -0.02292 -0.01006 0.03761 -0.00121 175 8D+2 -0.00082 0.01788 0.01011 0.01510 -0.01628 176 8D-2 0.00331 0.01337 -0.00086 -0.02413 0.00063 177 9 C 1S 0.00094 0.00018 -0.00859 -0.00325 0.00833 178 2S -0.00248 -0.00200 0.01078 0.00619 -0.02835 179 3S -0.00166 -0.00212 0.03159 0.01204 -0.02721 180 4PX 0.00032 0.01635 0.01212 -0.00025 -0.01078 181 4PY -0.00136 -0.01192 0.00526 0.00741 -0.01892 182 4PZ -0.00672 -0.00410 -0.01094 0.01294 -0.00090 183 5PX 0.00010 0.00612 0.00330 -0.00267 0.00439 184 5PY 0.00003 0.00564 0.01804 0.00148 -0.00315 185 5PZ -0.00220 -0.00045 -0.00187 0.01100 -0.00105 186 10 O 1S -0.00021 0.00086 0.00525 0.00018 -0.00719 187 2S 0.00076 -0.00112 -0.01262 -0.00133 0.01539 188 3S 0.00026 -0.00495 -0.01302 0.00060 0.01683 189 4PX -0.00025 -0.01801 -0.01825 0.00543 -0.06036 190 4PY 0.00073 0.01408 0.00030 -0.00335 -0.02453 191 4PZ 0.00661 0.00726 0.01000 -0.02092 0.02682 192 5PX 0.00003 -0.01002 -0.01010 0.00278 -0.02790 193 5PY -0.00020 0.00048 -0.00490 0.00038 -0.00960 194 5PZ 0.00378 0.00295 0.00571 -0.01369 0.01194 11 12 13 14 15 11 6PY 0.12056 12 6PZ 0.10023 0.35887 13 7D 0 0.01950 0.00779 1.48100 14 7D+1 -0.03547 -0.01064 0.00199 1.48431 15 7D-1 -0.07557 -0.00953 -0.00499 0.00974 1.48985 16 7D+2 -0.08533 0.13171 -0.00901 0.00232 0.01246 17 7D-2 0.04023 0.00241 -0.01178 -0.00190 -0.00351 18 8D 0 0.00748 0.00140 0.48443 -0.00282 0.00160 19 8D+1 -0.01082 -0.00086 -0.00279 0.48404 0.00019 20 8D-1 -0.02312 -0.00108 0.00149 0.00026 0.48645 21 8D+2 -0.02857 0.04128 -0.00328 -0.00151 0.00275 22 8D-2 0.01380 0.00072 -0.00380 0.00143 -0.00268 23 2 Cu 1S -0.00433 0.00210 -0.00029 -0.00040 0.00018 24 2S 0.00940 -0.06057 -0.04928 -0.00639 0.02524 25 3S 0.00819 -0.11980 -0.15478 -0.00830 0.05931 26 4PX 0.01112 0.00509 0.00682 -0.00122 0.00470 27 4PY -0.00577 0.00533 0.01916 0.00075 -0.00794 28 4PZ -0.00234 0.02224 0.00557 -0.00287 0.00954 29 5PX 0.00071 0.01821 -0.02573 0.01371 -0.02417 30 5PY 0.02213 -0.09872 -0.11808 -0.01496 0.05210 31 5PZ 0.01064 0.05092 -0.02183 0.02527 0.01904 32 6PX 0.01230 0.07220 -0.01592 0.00333 -0.00806 33 6PY 0.02628 -0.00673 0.00146 -0.01106 -0.00012 34 6PZ -0.02197 -0.09088 -0.02106 -0.00729 0.03212 35 7D 0 0.00168 0.03642 -0.01675 0.00174 0.00966 36 7D+1 -0.05142 -0.12459 -0.00256 -0.02262 0.00032 37 7D-1 -0.00923 -0.08193 0.01358 -0.00428 0.04682 38 7D+2 -0.08421 -0.09629 -0.00083 0.00477 0.00258 39 7D-2 0.03150 0.05776 -0.00049 0.01255 -0.00545 40 8D 0 -0.00072 0.01143 -0.00438 0.00087 0.00249 41 8D+1 -0.01756 -0.04002 -0.00055 -0.00678 -0.00099 42 8D-1 -0.00180 -0.02692 0.00292 -0.00010 0.00833 43 8D+2 -0.03021 -0.03190 0.00151 0.00162 0.00003 44 8D-2 0.00873 0.02136 -0.00005 0.00385 -0.00207 45 3 Cu 1S 0.00779 0.02289 -0.00004 -0.00182 -0.00470 46 2S 0.02052 -0.11581 0.03755 -0.06608 -0.00100 47 3S 0.09855 0.15449 0.13410 -0.16604 -0.01277 48 4PX -0.00009 -0.03128 0.01972 0.00670 0.01065 49 4PY 0.02526 0.04158 -0.01878 0.01042 0.00673 50 4PZ 0.04987 0.09403 -0.01142 0.01968 -0.02300 51 5PX -0.01028 -0.00935 -0.06664 -0.00141 -0.02045 52 5PY 0.00632 -0.00683 0.04326 -0.03791 -0.02947 53 5PZ 0.01443 0.02086 0.04630 -0.06157 0.05647 54 6PX 0.01724 0.03127 0.01296 0.02214 -0.03346 55 6PY 0.00460 0.09126 -0.00563 0.00952 -0.00032 56 6PZ 0.02012 0.02600 0.02634 -0.02744 -0.03494 57 7D 0 -0.02935 0.05499 0.02394 0.02910 -0.02900 58 7D+1 -0.06520 -0.04408 0.02317 0.01498 0.03094 59 7D-1 -0.06080 -0.12351 -0.03579 0.02225 0.01675 60 7D+2 -0.03372 0.13060 -0.00851 -0.02922 -0.02251 61 7D-2 -0.05984 -0.07566 0.02467 0.01413 -0.01633 62 8D 0 -0.00967 0.01854 0.00174 0.00904 -0.00769 63 8D+1 -0.02182 -0.01334 0.00337 0.00151 0.00811 64 8D-1 -0.02013 -0.04101 -0.01320 0.00573 -0.00084 65 8D+2 -0.01111 0.04271 -0.00246 -0.00807 -0.00260 66 8D-2 -0.01980 -0.02494 0.00519 0.00104 -0.00239 67 4 Cu 1S -0.00266 -0.00045 0.00415 0.00091 -0.00106 68 2S -0.00018 -0.07116 0.04373 0.05284 0.00833 69 3S -0.05587 -0.00471 0.07272 0.24863 0.13035 70 4PX -0.01883 -0.03913 -0.00489 -0.01536 -0.01380 71 4PY 0.00723 0.00579 -0.00285 -0.01782 0.00728 72 4PZ 0.00441 -0.01586 0.01006 -0.01158 -0.00906 73 5PX -0.00709 -0.02651 0.01051 0.07830 0.03885 74 5PY 0.00752 -0.00005 0.00748 0.05728 -0.01108 75 5PZ -0.00163 0.01034 -0.00428 0.07330 0.05830 76 6PX 0.01501 0.04696 -0.01295 -0.00604 -0.03083 77 6PY 0.00472 -0.00779 0.00847 0.00507 0.00046 78 6PZ -0.03395 -0.05370 0.02088 0.02495 0.05648 79 7D 0 0.07280 0.06615 0.03179 0.01470 0.00543 80 7D+1 -0.06338 -0.12011 0.02436 -0.02761 -0.02096 81 7D-1 0.02110 0.14020 0.01098 -0.02342 0.00766 82 7D+2 0.04748 0.12645 -0.01535 0.01158 -0.03304 83 7D-2 0.01333 0.08288 -0.02625 -0.02406 0.00886 84 8D 0 0.02387 0.02168 0.00535 0.00348 0.00388 85 8D+1 -0.02140 -0.03996 0.00723 -0.00720 -0.00427 86 8D-1 0.00752 0.04733 0.00157 -0.00565 0.00141 87 8D+2 0.01617 0.04230 -0.00394 0.00328 -0.00574 88 8D-2 0.00502 0.02813 -0.00589 -0.00520 0.00084 89 5 Cu 1S 0.00159 0.00209 0.00170 0.00295 0.00148 90 2S 0.06741 0.01218 0.03344 0.04300 -0.03634 91 3S 0.03114 -0.04395 0.15784 0.06544 -0.18737 92 4PX 0.00042 -0.01470 0.00670 -0.01585 -0.00045 93 4PY 0.02306 0.01121 -0.02076 -0.00648 0.01254 94 4PZ -0.01965 -0.01571 0.00302 0.00318 -0.02785 95 5PX -0.01036 -0.00723 -0.03165 0.04365 0.01437 96 5PY 0.01261 -0.00711 0.04870 0.03466 -0.06008 97 5PZ -0.01634 0.01207 -0.04947 -0.00949 0.10771 98 6PX 0.02061 -0.00496 0.01431 -0.03051 0.00232 99 6PY -0.01844 -0.03634 -0.02725 -0.00343 -0.00154 100 6PZ -0.01283 -0.01732 -0.04346 -0.00817 0.00627 101 7D 0 0.01094 -0.01468 0.03764 -0.00828 0.03613 102 7D+1 0.08984 0.15508 -0.00545 0.03203 0.00623 103 7D-1 -0.04251 -0.00288 0.02984 0.00715 -0.03180 104 7D+2 0.02786 0.08257 0.02978 0.01949 0.00794 105 7D-2 0.05550 0.20846 0.01037 -0.03107 -0.00295 106 8D 0 0.00481 -0.00435 0.00851 -0.00373 0.00749 107 8D+1 0.03143 0.05278 0.00146 0.00511 -0.00070 108 8D-1 -0.01459 -0.00078 0.00862 0.00028 -0.01013 109 8D+2 0.00886 0.02643 0.00663 0.00459 0.00174 110 8D-2 0.01826 0.07112 0.00235 -0.00472 0.00151 111 6 Cu 1S -0.00275 0.00355 0.00032 0.00083 -0.00146 112 2S 0.01411 0.03540 -0.03406 0.00546 -0.03212 113 3S -0.00821 0.02743 -0.09390 -0.00790 -0.04219 114 4PX 0.01399 0.04732 0.01671 -0.00093 0.00043 115 4PY -0.00312 -0.01377 -0.00118 -0.00122 0.00082 116 4PZ 0.00702 0.00428 0.00084 0.01495 -0.00981 117 5PX 0.00279 0.00027 -0.06641 0.00546 -0.01054 118 5PY 0.00071 -0.02445 0.00504 0.01322 -0.01317 119 5PZ 0.00762 0.02733 -0.00734 -0.01711 0.03224 120 6PX -0.00584 -0.00433 0.00852 0.00891 0.01368 121 6PY -0.01438 0.00116 0.00458 0.02421 0.02613 122 6PZ 0.00310 -0.01816 0.00579 0.03611 -0.02525 123 7D 0 -0.04850 -0.14644 -0.02713 -0.00115 0.00149 124 7D+1 -0.04560 -0.06043 -0.00266 0.04510 -0.02823 125 7D-1 -0.05190 -0.03649 0.00238 -0.03217 -0.00526 126 7D+2 -0.10924 -0.09688 0.01203 -0.00339 0.00101 127 7D-2 0.03940 -0.05299 -0.00968 0.00171 -0.00323 128 8D 0 -0.01625 -0.05016 -0.00635 0.00008 -0.00027 129 8D+1 -0.01537 -0.01968 -0.00308 0.00789 -0.00503 130 8D-1 -0.01691 -0.01179 0.00057 -0.00855 -0.00220 131 8D+2 -0.03671 -0.03360 0.00249 -0.00001 -0.00126 132 8D-2 0.01367 -0.01887 -0.00200 0.00170 -0.00108 133 7 Cu 1S 0.00243 0.01029 0.00300 -0.00317 0.00211 134 2S 0.05869 0.05629 0.01044 -0.04629 0.00884 135 3S 0.05408 0.10586 -0.05207 -0.14929 -0.07529 136 4PX -0.00960 0.02095 0.00772 0.00656 0.00853 137 4PY 0.02471 0.00958 0.00506 0.00698 0.00749 138 4PZ 0.00162 0.02039 -0.00809 0.00319 0.00094 139 5PX 0.01716 0.01826 -0.03925 -0.03677 -0.02941 140 5PY 0.02270 0.00737 -0.02927 -0.02766 -0.03875 141 5PZ -0.00784 0.00318 0.00610 0.03030 0.03254 142 6PX 0.01219 0.00822 -0.00297 -0.01260 -0.00254 143 6PY -0.04689 -0.06703 0.00220 0.01571 0.01485 144 6PZ -0.03252 -0.06975 0.00290 0.01767 0.03679 145 7D 0 -0.03234 -0.12757 -0.01072 -0.02645 -0.02417 146 7D+1 0.05854 0.10827 -0.03399 0.00383 0.01616 147 7D-1 -0.06716 -0.10476 -0.02455 0.01900 -0.01239 148 7D+2 -0.01590 0.02611 0.00159 -0.00895 0.02048 149 7D-2 0.01708 -0.03175 -0.00505 0.01854 0.01032 150 8D 0 -0.01102 -0.04241 -0.00437 -0.00623 -0.00594 151 8D+1 0.01900 0.03532 -0.00940 0.00102 0.00580 152 8D-1 -0.02355 -0.03749 -0.00564 0.00659 -0.00548 153 8D+2 -0.00446 0.00966 0.00041 -0.00335 0.00545 154 8D-2 0.00464 -0.01270 -0.00374 0.00208 0.00207 155 8 Cu 1S -0.01392 -0.02328 -0.00117 0.00275 0.00126 156 2S 0.03300 0.00688 0.03045 -0.01480 0.06948 157 3S -0.06718 -0.23784 0.05916 -0.05143 0.22807 158 4PX -0.01647 -0.04153 -0.01545 -0.00672 -0.01367 159 4PY 0.03673 0.03842 0.02057 -0.01210 0.00221 160 4PZ 0.02866 0.09174 0.00727 -0.01992 0.01969 161 5PX 0.00704 -0.00317 0.02640 0.01993 0.05046 162 5PY 0.00464 0.02024 -0.05560 0.03541 -0.03640 163 5PZ 0.00711 0.03393 -0.03176 0.05380 -0.06660 164 6PX -0.02876 -0.05091 0.00182 0.01766 -0.00390 165 6PY -0.02902 -0.03666 -0.00757 -0.00121 -0.02123 166 6PZ 0.02111 0.03393 -0.00123 -0.00482 -0.03025 167 7D 0 -0.02507 0.02174 0.02867 0.01952 -0.02335 168 7D+1 -0.09407 -0.18038 0.02597 0.01180 0.02835 169 7D-1 -0.05410 -0.05935 -0.02120 0.03124 0.00182 170 7D+2 0.08280 0.20869 0.01168 -0.02467 -0.02290 171 7D-2 0.02825 0.06792 0.03178 0.01859 -0.00594 172 8D 0 -0.00845 0.00788 0.00290 0.00441 -0.00789 173 8D+1 -0.03100 -0.05988 0.00992 -0.00194 0.00855 174 8D-1 -0.01821 -0.01897 -0.00392 0.00769 -0.00115 175 8D+2 0.02803 0.06991 0.00350 -0.00272 -0.00635 176 8D-2 0.00878 0.02089 0.00735 0.00460 -0.00106 177 9 C 1S 0.00332 -0.00862 -0.00323 -0.00127 0.00284 178 2S 0.00239 0.02303 0.01095 0.00373 -0.00947 179 3S -0.02543 0.03417 -0.01687 0.00128 0.00833 180 4PX 0.04293 0.01570 -0.02738 0.00658 -0.00805 181 4PY -0.05677 0.06326 0.00552 0.00462 -0.01017 182 4PZ -0.01263 -0.01228 0.00553 0.00154 -0.00043 183 5PX 0.00506 -0.00432 -0.00110 0.00537 -0.00819 184 5PY -0.00336 -0.00492 -0.00949 0.00048 0.00448 185 5PZ -0.00055 -0.00261 0.00073 -0.00873 0.00686 186 10 O 1S 0.01841 -0.00744 0.00043 0.00036 -0.00069 187 2S -0.03473 0.01272 -0.00174 -0.00105 0.00231 188 3S -0.05614 0.02169 0.00241 -0.00172 0.00134 189 4PX 0.03059 0.09485 0.02212 -0.00533 0.00764 190 4PY 0.09838 -0.01781 0.00032 -0.00320 0.00680 191 4PZ -0.00317 -0.10483 -0.00220 -0.00212 0.00237 192 5PX 0.01439 0.04031 0.01166 -0.00466 0.00653 193 5PY 0.02611 0.00300 0.00300 -0.00095 0.00124 194 5PZ -0.00341 -0.04385 -0.00134 0.00168 -0.00208 16 17 18 19 20 16 7D+2 1.50409 17 7D-2 -0.00326 1.50839 18 8D 0 -0.00360 -0.00427 0.15874 19 8D+1 -0.00129 0.00151 -0.00205 0.15817 20 8D-1 0.00260 -0.00255 0.00158 -0.00089 0.15909 21 8D+2 0.48223 -0.00162 -0.00129 -0.00120 0.00039 22 8D-2 -0.00121 0.48538 -0.00136 0.00111 -0.00132 23 2 Cu 1S 0.00182 -0.00212 0.00012 -0.00009 0.00000 24 2S -0.04735 -0.02852 -0.01405 -0.00293 0.00944 25 3S -0.28651 -0.07023 -0.05173 -0.00144 0.02122 26 4PX -0.00222 0.00903 0.00198 -0.00038 0.00159 27 4PY 0.02419 0.00439 0.00441 0.00066 -0.00272 28 4PZ 0.00150 0.00478 0.00197 -0.00105 0.00466 29 5PX 0.05562 0.00003 -0.00936 0.00447 -0.00808 30 5PY -0.20183 -0.05899 -0.03876 -0.00474 0.01857 31 5PZ -0.01650 -0.02436 -0.00719 0.00914 0.00722 32 6PX 0.03390 0.00833 -0.00646 0.00145 -0.00260 33 6PY -0.00833 -0.01886 0.00063 -0.00380 0.00019 34 6PZ -0.03322 0.01068 -0.00772 -0.00362 0.01068 35 7D 0 -0.00689 0.00717 -0.00597 0.00120 0.00124 36 7D+1 0.00182 0.00882 -0.00099 -0.00744 -0.00155 37 7D-1 0.01119 -0.00829 0.00387 -0.00180 0.00973 38 7D+2 -0.02594 0.00891 -0.00050 0.00160 -0.00071 39 7D-2 0.00120 0.04996 -0.00169 0.00448 -0.00252 40 8D 0 -0.00201 0.00359 -0.00162 0.00049 0.00019 41 8D+1 0.00122 0.00092 -0.00027 -0.00223 -0.00083 42 8D-1 0.00352 -0.00263 0.00076 -0.00014 0.00084 43 8D+2 -0.00618 0.00047 0.00035 0.00057 -0.00052 44 8D-2 0.00258 0.00680 -0.00058 0.00140 -0.00094 45 3 Cu 1S 0.00282 0.00007 0.00060 -0.00093 -0.00075 46 2S 0.02852 -0.00508 0.01426 -0.02281 0.00117 47 3S 0.06496 -0.04926 0.04646 -0.05655 -0.00182 48 4PX -0.00837 0.00089 0.00466 0.00336 0.00197 49 4PY -0.00718 -0.00310 -0.00317 0.00166 0.00549 50 4PZ -0.00035 0.01250 0.00180 0.00224 -0.00153 51 5PX 0.03300 0.01363 -0.02238 0.00042 -0.00705 52 5PY 0.00517 0.00782 0.01413 -0.01257 -0.00945 53 5PZ 0.02092 -0.04197 0.01632 -0.02077 0.01931 54 6PX -0.02397 0.01003 0.00421 0.00842 -0.01091 55 6PY 0.03764 -0.02666 -0.00269 0.00414 -0.00004 56 6PZ -0.00815 -0.01273 0.00888 -0.00932 -0.01196 57 7D 0 0.00222 0.03210 0.00284 0.00796 -0.00559 58 7D+1 -0.02467 0.01034 0.00405 -0.00032 0.00555 59 7D-1 -0.02796 -0.01008 -0.01051 0.00562 0.00347 60 7D+2 -0.00033 -0.00193 -0.00397 -0.00684 -0.00357 61 7D-2 0.00482 -0.00618 0.00430 0.00106 -0.00453 62 8D 0 0.00272 0.00738 -0.00107 0.00246 -0.00122 63 8D+1 -0.00436 0.00143 -0.00009 -0.00125 0.00107 64 8D-1 -0.00715 -0.00003 -0.00397 0.00134 -0.00097 65 8D+2 -0.00054 -0.00288 -0.00116 -0.00177 0.00044 66 8D-2 0.00355 -0.00058 0.00043 -0.00086 -0.00050 67 4 Cu 1S 0.00015 -0.00202 0.00140 0.00050 -0.00028 68 2S 0.00922 0.01015 0.01622 0.01629 0.00318 69 3S 0.10307 0.09642 0.02526 0.08641 0.04334 70 4PX -0.00186 -0.01272 -0.00294 -0.00218 -0.00331 71 4PY -0.01060 -0.00166 -0.00147 -0.00405 0.00470 72 4PZ -0.00821 -0.01176 0.00379 -0.00151 -0.00124 73 5PX 0.04967 0.05179 0.00370 0.02596 0.01275 74 5PY -0.00005 0.01988 0.00257 0.01922 -0.00367 75 5PZ 0.03659 0.03962 -0.00076 0.02513 0.01971 76 6PX 0.01391 -0.00801 -0.00550 -0.00179 -0.01080 77 6PY -0.00589 0.02033 0.00431 0.00198 0.00025 78 6PZ 0.01218 0.00004 0.00777 0.00830 0.01887 79 7D 0 -0.01651 -0.02627 0.00596 0.00149 0.00204 80 7D+1 0.00820 -0.02561 0.00600 -0.00874 -0.00415 81 7D-1 -0.03405 0.00471 0.00052 -0.00539 0.00225 82 7D+2 0.01554 -0.01602 -0.00463 0.00311 -0.00561 83 7D-2 -0.02237 -0.00523 -0.00568 -0.00414 0.00270 84 8D 0 -0.00386 -0.00541 0.00027 0.00004 0.00136 85 8D+1 0.00424 -0.00476 0.00172 -0.00223 -0.00049 86 8D-1 -0.00945 0.00142 -0.00053 -0.00109 0.00039 87 8D+2 0.00270 -0.00100 -0.00114 0.00081 -0.00009 88 8D-2 -0.00784 -0.00524 -0.00096 -0.00044 0.00020 89 5 Cu 1S 0.00285 -0.00286 0.00085 0.00113 -0.00008 90 2S 0.02493 -0.02266 0.01258 0.01369 -0.00993 91 3S -0.01589 -0.10974 0.05451 0.02298 -0.06230 92 4PX -0.00371 0.00772 0.00282 -0.00575 -0.00082 93 4PY 0.00007 -0.00524 -0.00568 -0.00186 -0.00019 94 4PZ -0.01189 -0.00647 -0.00216 0.00070 -0.00393 95 5PX 0.03120 -0.00828 -0.01079 0.01400 0.00467 96 5PY -0.01619 0.00588 0.01588 0.01159 -0.01964 97 5PZ 0.02486 0.03661 -0.01725 -0.00297 0.03550 98 6PX -0.04013 0.02103 0.00555 -0.01029 0.00113 99 6PY -0.03337 -0.01054 -0.01019 -0.00137 -0.00065 100 6PZ -0.00858 0.01368 -0.01540 -0.00353 0.00158 101 7D 0 0.03364 0.01439 0.00803 -0.00368 0.00751 102 7D+1 0.01007 -0.03242 -0.00057 0.00446 0.00158 103 7D-1 0.00731 0.00120 0.00755 0.00199 -0.00838 104 7D+2 -0.00616 0.00069 0.00518 0.00642 0.00377 105 7D-2 -0.00155 0.00779 0.00336 -0.00385 0.00064 106 8D 0 0.00921 0.00238 0.00137 -0.00156 0.00099 107 8D+1 0.00066 -0.00576 0.00092 -0.00033 -0.00038 108 8D-1 0.00201 0.00123 0.00206 0.00000 -0.00262 109 8D+2 -0.00266 -0.00169 0.00063 0.00149 0.00096 110 8D-2 0.00125 0.00065 0.00075 0.00059 0.00104 111 6 Cu 1S -0.00357 -0.00316 0.00004 0.00048 -0.00064 112 2S -0.00914 -0.04687 -0.01135 0.00124 -0.01046 113 3S 0.06224 -0.23614 -0.03244 -0.00234 -0.01417 114 4PX -0.01512 0.01659 0.00285 0.00002 0.00021 115 4PY 0.01743 0.00077 0.00011 -0.00033 0.00014 116 4PZ 0.00248 -0.00249 0.00074 0.00615 -0.00387 117 5PX 0.06226 -0.08845 -0.02234 0.00152 -0.00338 118 5PY -0.06127 0.04156 0.00170 0.00466 -0.00433 119 5PZ 0.00605 0.01687 -0.00226 -0.00472 0.01091 120 6PX 0.01426 -0.01473 0.00343 0.00327 0.00472 121 6PY 0.03218 0.03632 0.00180 0.00804 0.00832 122 6PZ -0.01125 0.00126 0.00301 0.01288 -0.00878 123 7D 0 0.01275 -0.00573 -0.00581 0.00069 -0.00071 124 7D+1 0.00743 -0.00212 -0.00170 0.00675 -0.00694 125 7D-1 0.00359 0.00011 0.00033 -0.00822 -0.00124 126 7D+2 0.00108 0.03823 0.00133 -0.00100 -0.00050 127 7D-2 0.04602 0.01433 -0.00179 0.00235 -0.00082 128 8D 0 0.00384 0.00042 -0.00096 0.00040 -0.00051 129 8D+1 0.00382 0.00066 -0.00129 -0.00012 -0.00086 130 8D-1 0.00150 0.00034 0.00000 -0.00202 -0.00056 131 8D+2 -0.00224 0.00862 -0.00006 0.00001 -0.00069 132 8D-2 0.00748 0.00333 -0.00014 0.00120 -0.00022 133 7 Cu 1S 0.00124 -0.00107 0.00148 -0.00102 0.00093 134 2S 0.01608 0.00929 0.00518 -0.01672 0.00415 135 3S 0.09234 0.18413 -0.01832 -0.05284 -0.02616 136 4PX -0.00090 -0.01434 0.00150 0.00211 0.00267 137 4PY -0.00925 -0.01129 0.00070 0.00245 0.00178 138 4PZ 0.00090 0.00708 -0.00352 0.00223 0.00116 139 5PX 0.05827 0.07639 -0.01309 -0.01293 -0.00924 140 5PY -0.00535 0.07109 -0.00980 -0.00965 -0.01284 141 5PZ -0.00609 -0.02630 0.00171 0.01122 0.01155 142 6PX -0.00106 0.00751 -0.00104 -0.00418 -0.00047 143 6PY 0.00105 0.01735 0.00058 0.00491 0.00437 144 6PZ -0.02866 -0.00823 0.00105 0.00615 0.01236 145 7D 0 -0.00313 -0.00695 -0.00419 -0.00546 -0.00580 146 7D+1 -0.01146 0.02500 -0.00929 0.00069 0.00551 147 7D-1 0.02494 0.00537 -0.00526 0.00596 -0.00632 148 7D+2 0.03282 -0.01459 0.00052 -0.00271 0.00531 149 7D-2 -0.02058 -0.02857 -0.00419 0.00093 0.00130 150 8D 0 -0.00161 -0.00422 -0.00165 -0.00096 -0.00122 151 8D+1 -0.00517 0.00437 -0.00244 0.00020 0.00200 152 8D-1 0.00734 -0.00058 -0.00092 0.00207 -0.00256 153 8D+2 0.00845 -0.00266 0.00014 -0.00102 0.00132 154 8D-2 -0.00574 -0.00672 -0.00208 -0.00108 -0.00003 155 8 Cu 1S -0.00237 0.00257 0.00012 0.00026 0.00061 156 2S -0.03371 0.02056 0.01058 -0.00571 0.02440 157 3S -0.09769 0.00963 0.02149 -0.01914 0.07664 158 4PX 0.00322 -0.00454 -0.00246 -0.00496 -0.00224 159 4PY 0.01060 -0.00166 0.00520 -0.00208 -0.00097 160 4PZ -0.00428 -0.01390 -0.00269 -0.00155 0.00206 161 5PX 0.00162 0.01652 0.00874 0.00641 0.01700 162 5PY -0.03032 0.02255 -0.01886 0.01226 -0.01274 163 5PZ 0.02814 0.03863 -0.01115 0.01847 -0.02235 164 6PX -0.00234 -0.01644 0.00092 0.00594 -0.00198 165 6PY 0.01120 -0.01111 -0.00324 -0.00126 -0.00777 166 6PZ 0.01311 0.00308 -0.00012 -0.00168 -0.01010 167 7D 0 0.00470 0.03255 0.00288 0.00255 -0.00664 168 7D+1 -0.02309 0.01348 0.00682 0.00078 0.00730 169 7D-1 -0.02467 -0.00218 -0.00315 0.00507 -0.00333 170 7D+2 0.00818 0.00124 0.00532 -0.00267 -0.00525 171 7D-2 -0.00188 -0.00514 0.00624 0.00582 0.00075 172 8D 0 0.00011 0.00786 -0.00129 0.00015 -0.00226 173 8D+1 -0.00532 0.00094 0.00271 -0.00169 0.00219 174 8D-1 -0.00453 -0.00017 -0.00002 0.00074 -0.00171 175 8D+2 0.00122 0.00292 0.00165 0.00097 -0.00135 176 8D-2 -0.00230 -0.00332 0.00104 0.00140 0.00053 177 9 C 1S -0.00135 -0.00429 -0.00189 -0.00054 0.00155 178 2S 0.01120 0.01143 0.00485 0.00152 -0.00438 179 3S -0.06775 0.00661 -0.00546 0.00112 0.00205 180 4PX -0.00746 0.00036 -0.00884 0.00217 -0.00245 181 4PY 0.00772 0.01128 0.00099 0.00169 -0.00369 182 4PZ 0.01165 -0.01119 0.00178 0.00067 0.00068 183 5PX 0.00526 0.01436 -0.00012 0.00173 -0.00259 184 5PY -0.02701 -0.00491 -0.00301 0.00053 0.00114 185 5PZ -0.00509 -0.00957 0.00035 -0.00289 0.00261 186 10 O 1S 0.00004 0.00126 -0.00025 0.00021 -0.00025 187 2S -0.00057 -0.00330 0.00028 -0.00057 0.00085 188 3S 0.00588 -0.00816 0.00106 -0.00074 0.00064 189 4PX 0.00342 0.00183 0.00701 -0.00179 0.00231 190 4PY -0.00057 -0.00926 0.00168 -0.00099 0.00163 191 4PZ -0.00821 0.00989 -0.00067 -0.00091 0.00028 192 5PX 0.00036 -0.00419 0.00373 -0.00156 0.00199 193 5PY 0.00785 -0.00318 0.00124 -0.00033 0.00032 194 5PZ -0.00292 0.00769 -0.00051 0.00047 -0.00110 21 22 23 24 25 21 8D+2 0.15480 22 8D-2 -0.00057 0.15643 23 2 Cu 1S 0.00065 -0.00057 1.99605 24 2S -0.01327 -0.00982 -0.00157 0.28740 25 3S -0.09605 -0.02368 0.03423 0.07365 0.66707 26 4PX -0.00188 0.00395 0.00165 0.00798 -0.00398 27 4PY 0.00426 0.00181 -0.00243 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-0.00072 -0.00285 -0.00760 -0.00825 68 2S 0.00213 0.00293 -0.00495 0.09155 0.00277 69 3S 0.03292 0.03092 -0.00705 -0.02410 -0.13706 70 4PX 0.00160 -0.00221 -0.00152 -0.01868 -0.02521 71 4PY -0.00350 0.00141 0.00167 0.01765 0.01574 72 4PZ -0.00233 -0.00272 -0.00074 -0.01069 -0.02543 73 5PX 0.01640 0.01708 -0.00416 0.01937 -0.03435 74 5PY -0.00102 0.00696 0.00313 -0.03595 0.01261 75 5PZ 0.01148 0.01280 -0.00274 0.00675 -0.01703 76 6PX 0.00451 -0.00345 -0.00375 -0.02497 -0.05129 77 6PY -0.00209 0.00736 0.00355 0.00788 0.02751 78 6PZ 0.00413 -0.00003 0.00139 0.00462 0.00440 79 7D 0 -0.00453 -0.00655 -0.00092 -0.01883 -0.10249 80 7D+1 0.00338 -0.00399 -0.00149 0.02489 0.14648 81 7D-1 -0.00947 0.00292 0.00095 -0.01246 -0.13348 82 7D+2 0.00142 -0.00067 -0.00174 -0.01841 -0.06053 83 7D-2 -0.00737 -0.00379 -0.00109 -0.04378 -0.23828 84 8D 0 -0.00097 -0.00109 -0.00038 -0.00550 -0.03465 85 8D+1 0.00160 -0.00007 -0.00083 0.00756 0.04819 86 8D-1 -0.00254 0.00097 0.00046 -0.00274 -0.04442 87 8D+2 -0.00033 0.00120 -0.00066 -0.00618 -0.02037 88 8D-2 -0.00258 -0.00241 -0.00012 -0.01382 -0.07735 89 5 Cu 1S 0.00086 -0.00103 -0.00257 -0.00552 -0.00610 90 2S 0.00915 -0.00716 -0.00315 0.13357 0.04616 91 3S -0.00484 -0.03674 -0.00735 0.05704 -0.12824 92 4PX -0.00137 0.00279 0.00038 0.00529 -0.00191 93 4PY -0.00229 -0.00200 0.00130 0.01384 0.01303 94 4PZ -0.00204 -0.00193 0.00169 0.02101 0.03966 95 5PX 0.01031 -0.00197 -0.00008 -0.00088 0.00368 96 5PY -0.00593 0.00200 0.00110 -0.03583 0.00068 97 5PZ 0.00758 0.01170 0.00445 -0.03124 0.03460 98 6PX -0.01274 0.00767 -0.00174 0.00098 0.00818 99 6PY -0.01108 -0.00452 0.00073 0.01818 0.05173 100 6PZ -0.00282 0.00423 0.00283 0.01409 0.06419 101 7D 0 0.00794 0.00378 -0.00153 0.03071 0.23264 102 7D+1 0.00346 -0.00472 -0.00130 -0.00637 -0.03290 103 7D-1 0.00251 -0.00026 0.00146 0.04109 0.20724 104 7D+2 -0.00194 -0.00201 -0.00129 -0.02418 -0.06295 105 7D-2 0.00001 -0.00002 -0.00016 -0.00930 -0.06820 106 8D 0 0.00204 0.00050 -0.00073 0.01038 0.07744 107 8D+1 0.00032 0.00010 -0.00045 -0.00126 -0.01083 108 8D-1 0.00068 0.00016 0.00074 0.01237 0.06837 109 8D+2 -0.00083 -0.00134 -0.00055 -0.00796 -0.02036 110 8D-2 0.00054 -0.00060 0.00003 -0.00349 -0.02214 111 6 Cu 1S -0.00124 -0.00101 0.00147 0.00000 -0.00048 112 2S -0.00542 -0.01620 0.00106 -0.08799 -0.01979 113 3S 0.01995 -0.07971 0.00394 0.02319 0.07535 114 4PX -0.00024 0.00350 0.00140 0.00494 0.01240 115 4PY 0.00576 0.00130 -0.00192 0.00536 -0.01252 116 4PZ 0.00032 -0.00031 0.00031 0.00666 -0.00881 117 5PX 0.01997 -0.02913 0.00091 -0.00244 -0.00716 118 5PY -0.01997 0.01435 -0.00094 -0.02216 0.00591 119 5PZ 0.00178 0.00552 0.00040 -0.01728 -0.00774 120 6PX 0.00424 -0.00492 0.00287 0.01938 0.03702 121 6PY 0.01059 0.01231 0.00055 -0.01987 -0.04281 122 6PZ -0.00331 0.00097 0.00121 0.01274 0.01301 123 7D 0 0.00308 -0.00003 0.00146 0.01327 0.05476 124 7D+1 0.00361 0.00173 0.00088 0.01438 -0.02413 125 7D-1 0.00232 0.00035 -0.00054 0.00535 -0.02852 126 7D+2 0.00213 0.00757 0.00067 0.01318 0.02139 127 7D-2 0.00856 0.00042 0.00198 0.01796 0.13597 128 8D 0 0.00089 0.00077 0.00030 0.00551 0.02059 129 8D+1 0.00162 0.00101 0.00032 0.00383 -0.00884 130 8D-1 0.00085 0.00021 -0.00016 0.00108 -0.01051 131 8D+2 -0.00011 0.00120 0.00013 0.00511 0.00918 132 8D-2 0.00032 -0.00030 0.00030 0.00857 0.04940 133 7 Cu 1S 0.00050 -0.00107 -0.00331 -0.00739 -0.00684 134 2S 0.00568 0.00241 -0.00386 0.11855 0.04219 135 3S 0.03173 0.06082 -0.00980 -0.01952 -0.21706 136 4PX 0.00102 -0.00406 -0.00174 -0.02388 -0.03784 137 4PY -0.00450 -0.00259 0.00209 0.01802 -0.00538 138 4PZ 0.00042 0.00251 0.00078 0.00925 0.02337 139 5PX 0.02008 0.02531 -0.00454 0.02635 -0.05196 140 5PY -0.00267 0.02376 0.00145 -0.03789 0.00430 141 5PZ -0.00189 -0.00835 0.00289 -0.00572 0.02681 142 6PX 0.00007 0.00269 -0.00229 -0.00894 -0.03606 143 6PY -0.00014 0.00580 0.00205 -0.02119 0.01072 144 6PZ -0.00895 -0.00245 0.00118 0.00940 0.05010 145 7D 0 -0.00155 -0.00510 -0.00076 -0.02978 -0.08400 146 7D+1 -0.00515 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-0.01201 0.05163 38 7D+2 -0.01086 0.01268 0.00688 0.08529 -0.00757 39 7D-2 0.00356 0.01423 0.00487 -0.04646 -0.05859 40 8D 0 -0.00042 0.00343 0.00222 -0.00625 -0.01322 41 8D+1 -0.00051 0.00094 -0.00043 -0.00009 -0.00051 42 8D-1 0.00149 -0.00360 0.00189 -0.00344 0.01630 43 8D+2 -0.00316 0.00350 0.00225 0.02891 -0.00436 44 8D-2 0.00033 0.00357 0.00156 -0.01416 -0.02195 45 3 Cu 1S -0.00151 -0.00267 0.00295 0.00035 -0.00442 46 2S -0.01783 -0.03998 0.03393 0.05563 0.07877 47 3S -0.02587 -0.01517 0.02668 0.04186 -0.04437 48 4PX 0.00154 -0.00179 0.00103 -0.00434 0.00650 49 4PY 0.00102 0.00141 -0.00209 -0.00207 0.00246 50 4PZ -0.00039 0.00216 0.00087 -0.00652 -0.01063 51 5PX -0.00467 0.00284 -0.00297 0.01305 -0.00105 52 5PY 0.00009 0.00239 -0.00690 0.00923 0.00733 53 5PZ -0.00442 -0.00741 0.00104 -0.00153 -0.00483 54 6PX 0.00870 0.00349 0.00030 0.00807 -0.00847 55 6PY -0.00331 0.00220 0.01258 0.00182 -0.02749 56 6PZ 0.00228 0.00189 0.00057 -0.00072 -0.01715 57 7D 0 -0.00706 -0.00886 -0.00323 0.01231 0.05972 58 7D+1 -0.00216 0.00797 -0.00795 0.03486 -0.04745 59 7D-1 0.01289 0.01768 -0.02047 -0.05888 -0.14466 60 7D+2 0.00519 0.00518 -0.01012 -0.00754 -0.02420 61 7D-2 0.00538 -0.00613 0.01548 -0.04207 0.05986 62 8D 0 -0.00246 -0.00339 -0.00295 0.00488 0.02011 63 8D+1 -0.00207 0.00205 -0.00172 0.01123 -0.01725 64 8D-1 0.00324 0.00429 -0.00469 -0.01908 -0.04811 65 8D+2 0.00167 0.00038 -0.00367 -0.00208 -0.00763 66 8D-2 0.00341 -0.00149 0.00473 -0.01386 0.02045 67 4 Cu 1S 0.00152 -0.00151 0.00132 0.00278 -0.00297 68 2S 0.02839 -0.02540 0.01813 -0.06229 0.01823 69 3S 0.02331 0.00533 0.02805 0.01799 -0.09355 70 4PX 0.00242 0.00416 -0.00136 0.00218 -0.01837 71 4PY 0.00016 -0.00033 -0.00266 -0.00712 -0.00342 72 4PZ -0.00286 0.00093 0.00206 0.01605 -0.00666 73 5PX -0.00217 -0.01057 0.00974 0.02578 0.00094 74 5PY -0.00929 0.00521 -0.00153 0.00868 -0.00273 75 5PZ 0.00855 -0.00134 -0.00061 -0.00848 -0.01788 76 6PX 0.00600 0.00676 -0.00119 0.02485 -0.02984 77 6PY 0.00712 0.00021 0.00134 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0.01152 -0.00235 0.07198 -0.06023 157 3S -0.00487 -0.00057 0.00988 0.00235 0.07644 158 4PX 0.00145 0.00176 0.00106 -0.00437 0.00299 159 4PY 0.00103 -0.00149 -0.00324 -0.00296 0.00187 160 4PZ -0.00019 0.00007 0.00130 0.00126 -0.00911 161 5PX -0.00274 -0.00423 -0.00386 0.01244 0.01249 162 5PY -0.00312 -0.00005 0.00676 0.00991 -0.00462 163 5PZ -0.00044 -0.00052 -0.00743 0.00046 0.00338 164 6PX -0.00274 0.00216 -0.00009 -0.00791 -0.00005 165 6PY -0.00589 0.00298 -0.00251 0.01306 -0.01419 166 6PZ -0.00059 0.00200 -0.00012 0.01000 -0.02966 167 7D 0 0.00227 0.00072 -0.00596 -0.01445 0.04245 168 7D+1 -0.00322 -0.00319 0.00139 0.02004 -0.02526 169 7D-1 -0.00316 0.00048 -0.00145 0.02107 -0.06297 170 7D+2 0.00096 -0.00178 -0.00382 -0.01325 0.03956 171 7D-2 -0.00380 -0.00082 -0.00113 0.01614 0.01158 172 8D 0 0.00040 0.00008 -0.00233 -0.00311 0.01374 173 8D+1 -0.00140 -0.00122 0.00049 0.00632 -0.00731 174 8D-1 -0.00121 0.00160 -0.00018 0.00775 -0.02414 175 8D+2 0.00048 -0.00104 -0.00137 -0.00474 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73 5PX -0.00696 -0.00815 -0.00263 0.01025 -0.00987 74 5PY -0.01839 -0.00572 -0.00303 0.00430 -0.00251 75 5PZ 0.01201 0.00707 0.00074 -0.01557 -0.01772 76 6PX 0.00057 0.01859 -0.00030 0.01002 0.02478 77 6PY 0.00328 -0.01698 -0.00162 -0.03219 -0.00899 78 6PZ 0.00505 -0.01853 -0.00295 -0.00528 -0.00388 79 7D 0 0.02911 0.04293 -0.01327 0.03889 0.02065 80 7D+1 -0.02310 -0.01739 -0.01671 0.03964 0.02583 81 7D-1 0.02940 0.04411 0.02351 -0.01354 -0.01735 82 7D+2 0.03844 0.01023 -0.02527 -0.00395 0.00312 83 7D-2 0.08129 0.01532 -0.01842 -0.02224 0.02622 84 8D 0 0.00875 0.01492 -0.00427 0.01391 0.00326 85 8D+1 -0.00817 -0.00564 -0.00547 0.01299 0.00674 86 8D-1 0.00986 0.01495 0.00764 -0.00467 -0.00278 87 8D+2 0.01233 0.00333 -0.00837 -0.00073 0.00121 88 8D-2 0.02744 0.00514 -0.00585 -0.00792 0.00499 89 5 Cu 1S -0.00241 -0.00106 -0.00109 -0.00167 0.00269 90 2S 0.09971 -0.00922 0.02108 -0.03406 0.03088 91 3S -0.01621 -0.02244 -0.01126 -0.02844 0.17132 92 4PX 0.01237 0.00911 -0.00131 0.00592 0.00320 93 4PY 0.00501 -0.00888 0.01187 -0.01747 0.01711 94 4PZ 0.00962 -0.01081 0.00756 -0.00434 0.01112 95 5PX -0.01113 -0.00019 -0.00087 0.00432 -0.02065 96 5PY -0.00309 -0.00878 -0.00256 0.00726 -0.06282 97 5PZ 0.01437 0.00651 0.00119 0.00468 -0.07277 98 6PX 0.00458 -0.01282 0.00907 -0.01278 -0.02622 99 6PY -0.01298 0.00996 -0.01592 0.04587 0.02873 100 6PZ 0.01143 0.00533 -0.00562 0.02103 -0.01492 101 7D 0 0.08490 0.02003 -0.01186 0.01470 0.00908 102 7D+1 0.00706 -0.01942 -0.02375 -0.02200 -0.00519 103 7D-1 0.15158 0.01344 -0.00548 0.03462 -0.04138 104 7D+2 -0.07744 0.06603 0.00267 -0.02111 0.01381 105 7D-2 0.01469 0.03700 -0.02680 -0.04042 -0.00313 106 8D 0 0.02926 0.00663 -0.00354 0.00403 0.00056 107 8D+1 0.00373 -0.00708 -0.00772 -0.00824 0.00098 108 8D-1 0.04914 0.00468 -0.00207 0.01170 -0.00943 109 8D+2 -0.02551 0.02200 0.00115 -0.00634 0.00118 110 8D-2 0.00528 0.01245 -0.00900 -0.01369 0.00020 111 6 Cu 1S -0.00046 0.00242 0.00096 -0.00223 0.00295 112 2S -0.05197 0.01413 -0.00453 0.01507 0.03070 113 3S 0.00622 0.02084 0.02439 0.01354 0.01734 114 4PX 0.00412 0.01122 0.00151 -0.01262 0.00056 115 4PY 0.00386 -0.00098 -0.00617 0.01072 -0.00343 116 4PZ -0.00517 0.00474 -0.00015 0.01095 -0.00239 117 5PX -0.00497 0.00294 0.00528 0.00941 -0.00241 118 5PY -0.01232 -0.01339 -0.01357 0.00723 0.00483 119 5PZ 0.01590 0.00209 -0.00353 -0.01279 0.00568 120 6PX 0.00945 -0.00867 -0.00381 -0.00313 0.00411 121 6PY -0.00711 -0.00087 -0.00364 -0.01042 -0.00886 122 6PZ 0.00205 -0.00995 0.00619 -0.02864 -0.01438 123 7D 0 0.00087 -0.05596 0.01089 -0.01250 -0.00948 124 7D+1 -0.01716 0.00430 0.00197 0.04741 -0.00492 125 7D-1 0.02104 0.00364 -0.00885 -0.00709 0.00462 126 7D+2 0.01434 -0.02386 -0.02669 0.02429 -0.00336 127 7D-2 0.01603 -0.02542 -0.00663 0.04768 -0.00761 128 8D 0 -0.00010 -0.01947 0.00364 -0.00480 -0.00340 129 8D+1 -0.00638 0.00187 0.00052 0.01600 -0.00141 130 8D-1 0.00673 0.00134 -0.00311 -0.00200 0.00185 131 8D+2 0.00466 -0.00817 -0.00881 0.00859 -0.00129 132 8D-2 0.00663 -0.00932 -0.00243 0.01585 -0.00403 133 7 Cu 1S -0.00143 0.00301 -0.00006 -0.00403 0.00082 134 2S 0.06930 0.03293 0.02538 -0.03192 -0.01096 135 3S -0.05050 0.04994 -0.01344 -0.01715 -0.06699 136 4PX -0.01775 0.00464 -0.00505 -0.00218 0.00310 137 4PY 0.00253 0.01067 0.01081 -0.00595 -0.00193 138 4PZ -0.00430 0.00586 0.00407 0.00718 -0.01131 139 5PX -0.00142 0.00823 0.00102 -0.00582 -0.01690 140 5PY -0.01631 0.00014 -0.00015 0.00810 0.01087 141 5PZ 0.01327 -0.00572 0.00241 -0.01089 0.02260 142 6PX -0.01398 0.00484 0.00531 -0.00575 -0.02285 143 6PY -0.02286 -0.02847 -0.02909 0.03525 0.02614 144 6PZ 0.01047 -0.01458 0.00027 0.00481 -0.02679 145 7D 0 -0.03743 -0.01398 -0.02740 0.03629 0.01611 146 7D+1 -0.05947 0.00743 0.01082 -0.02202 -0.03239 147 7D-1 0.00165 -0.03952 -0.00026 0.02652 0.00811 148 7D+2 0.00664 -0.03076 -0.05752 -0.00387 -0.00222 149 7D-2 -0.09639 0.00892 -0.00123 -0.00025 0.01903 150 8D 0 -0.01122 -0.00436 -0.00863 0.01152 0.00181 151 8D+1 -0.02060 0.00212 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-0.01452 -0.02047 191 4PZ -0.03898 -0.00645 -0.02174 0.19801 0.05896 192 5PX 0.00681 0.04447 0.00608 -0.01254 0.00451 193 5PY 0.01188 0.00324 0.03334 -0.01076 -0.02361 194 5PZ -0.02564 -0.00250 -0.01213 0.08146 0.03853 36 37 38 39 40 36 7D+1 1.51900 37 7D-1 0.01879 1.46729 38 7D+2 0.01529 -0.00207 1.47660 39 7D-2 -0.00926 -0.00724 0.02548 1.47756 40 8D 0 0.00125 -0.00284 -0.00172 0.00029 0.15108 41 8D+1 0.47436 0.00029 0.00169 0.00062 0.00019 42 8D-1 0.00071 0.47412 -0.00139 -0.00160 -0.00001 43 8D+2 0.00251 -0.00190 0.47259 0.00402 0.00243 44 8D-2 0.00038 -0.00158 0.00397 0.47390 0.00198 45 3 Cu 1S -0.00158 0.00061 0.00180 0.00018 0.00075 46 2S -0.03132 -0.01831 -0.00645 0.01254 0.00420 47 3S -0.20638 -0.11363 -0.06398 0.03549 0.03859 48 4PX 0.00432 -0.00741 -0.00944 -0.00330 0.00203 49 4PY -0.01081 -0.01259 0.00578 0.00697 0.00454 50 4PZ 0.00718 0.01333 0.00827 -0.00929 0.00261 51 5PX 0.01214 0.03163 0.03973 -0.00084 -0.01129 52 5PY 0.05050 0.04180 -0.00219 -0.01845 -0.01666 53 5PZ 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0.01063 113 3S 0.00190 -0.00551 0.04114 0.06694 0.00840 114 4PX -0.00021 0.00077 -0.00044 0.00219 -0.00012 115 4PY -0.00088 0.00246 -0.00331 -0.00282 -0.00077 116 4PZ -0.00151 0.00332 -0.00257 -0.00161 -0.00059 117 5PX -0.00099 -0.00365 0.01059 0.00538 -0.00070 118 5PY -0.00011 -0.00139 0.00187 -0.01014 0.00104 119 5PZ -0.00380 -0.01336 0.01006 0.00041 0.00163 120 6PX 0.00094 -0.01189 0.01880 -0.02700 0.00192 121 6PY 0.01571 -0.01832 0.01677 -0.03481 -0.00327 122 6PZ 0.03271 -0.03670 0.00262 -0.03280 -0.00479 123 7D 0 -0.00040 0.00581 -0.00210 -0.00766 -0.00335 124 7D+1 -0.00010 -0.00341 -0.00745 -0.00453 -0.00150 125 7D-1 -0.00556 0.00416 -0.00098 0.00104 0.00240 126 7D+2 -0.00375 0.00407 0.00679 -0.00561 -0.00210 127 7D-2 -0.00182 0.00590 -0.01226 -0.01213 -0.00340 128 8D 0 -0.00068 0.00224 -0.00081 -0.00416 -0.00121 129 8D+1 0.00017 -0.00220 -0.00198 -0.00217 -0.00041 130 8D-1 -0.00196 0.00233 -0.00043 0.00061 0.00094 131 8D+2 -0.00181 0.00135 0.00274 -0.00319 -0.00080 132 8D-2 -0.00086 0.00255 -0.00522 -0.00624 -0.00159 133 7 Cu 1S -0.00111 -0.00230 0.00263 0.00211 0.00039 134 2S -0.05626 0.01375 0.02110 -0.01939 -0.00577 135 3S -0.19767 0.03708 0.10440 -0.03865 -0.02327 136 4PX 0.01525 -0.01184 -0.00210 0.01588 -0.00013 137 4PY -0.01214 0.00073 0.01171 -0.00106 -0.00028 138 4PZ -0.00165 0.00457 0.00765 -0.01032 -0.00384 139 5PX -0.06891 0.02472 0.04179 -0.04297 -0.00566 140 5PY 0.03719 0.00869 -0.03700 -0.01676 0.00318 141 5PZ 0.02592 -0.02262 -0.03259 0.01842 0.00697 142 6PX -0.01109 -0.03173 0.00116 0.01476 -0.00731 143 6PY -0.01896 0.02171 0.05655 -0.05303 0.00959 144 6PZ 0.04548 -0.02278 0.02223 -0.02661 -0.00858 145 7D 0 -0.02531 0.00843 -0.00944 0.01816 0.00199 146 7D+1 -0.00422 0.00193 0.00155 -0.02340 -0.00698 147 7D-1 0.00123 0.00017 -0.03080 -0.01087 -0.00202 148 7D+2 0.00516 -0.03369 0.02349 0.03046 0.00175 149 7D-2 -0.02464 -0.01086 0.02940 0.00922 0.00277 150 8D 0 -0.00503 0.00249 -0.00137 0.00399 -0.00049 151 8D+1 -0.00247 0.00097 0.00049 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191 4PZ -0.03804 0.13466 0.03664 0.01799 0.02145 192 5PX 0.01906 0.00893 -0.05567 0.09020 0.00119 193 5PY 0.00322 0.00464 -0.04228 -0.00089 -0.00937 194 5PZ -0.02633 0.09737 0.02150 0.01022 0.01402 41 42 43 44 45 41 8D+1 0.14840 42 8D-1 -0.00168 0.15368 43 8D+2 -0.00010 -0.00120 0.15234 44 8D-2 0.00138 -0.00051 0.00055 0.15263 45 3 Cu 1S -0.00046 0.00014 0.00099 0.00006 2.01055 46 2S -0.01303 -0.00366 -0.00173 0.00104 0.01685 47 3S -0.06805 -0.03592 -0.01984 0.01059 0.01465 48 4PX 0.00200 -0.00190 -0.00331 -0.00186 0.00373 49 4PY -0.00252 -0.00016 0.00323 0.00050 0.00001 50 4PZ 0.00149 0.00133 0.00229 -0.00181 -0.00620 51 5PX 0.00420 0.01013 0.01300 -0.00066 -0.00286 52 5PY 0.01546 0.01324 -0.00058 -0.00584 -0.00107 53 5PZ -0.01338 -0.01996 -0.00809 0.01040 0.00260 54 6PX -0.00246 0.00299 -0.00603 0.00102 0.00280 55 6PY -0.00583 -0.00982 -0.00324 0.01206 0.00603 56 6PZ -0.00991 0.00250 -0.00045 0.00244 0.00389 57 7D 0 0.00140 -0.00007 0.00762 -0.00157 -0.00250 58 7D+1 -0.00039 -0.00125 -0.00435 -0.00082 0.00160 59 7D-1 -0.00181 -0.00298 0.00509 0.00227 -0.00103 60 7D+2 -0.00397 0.00076 0.00597 0.00588 -0.00044 61 7D-2 -0.00014 0.00011 -0.00165 -0.00301 0.00064 62 8D 0 0.00057 -0.00004 0.00172 0.00065 -0.00117 63 8D+1 -0.00017 0.00055 0.00009 0.00061 0.00050 64 8D-1 0.00038 -0.00074 0.00130 0.00029 -0.00083 65 8D+2 -0.00043 -0.00043 0.00106 0.00208 0.00004 66 8D-2 0.00090 -0.00061 -0.00174 -0.00197 0.00029 67 4 Cu 1S 0.00061 -0.00006 0.00102 0.00046 -0.00216 68 2S 0.01157 0.00278 -0.00272 -0.01017 -0.00836 69 3S 0.06007 -0.01585 0.01342 -0.03200 -0.00647 70 4PX -0.00187 0.00212 0.00289 0.00292 -0.00357 71 4PY 0.00318 0.00066 0.00293 -0.00049 -0.00076 72 4PZ 0.00016 -0.00050 -0.00003 0.00292 0.00025 73 5PX 0.01816 -0.00813 0.00463 -0.01797 -0.00386 74 5PY -0.01833 0.00614 -0.00627 0.00608 -0.00059 75 5PZ 0.00839 -0.00960 0.00174 -0.01172 -0.00158 76 6PX -0.00793 0.02054 -0.00086 0.01307 0.00494 77 6PY 0.00763 -0.01833 0.00190 -0.01672 -0.00101 78 6PZ 0.01985 -0.01275 0.00630 -0.00798 -0.00403 79 7D 0 0.00306 -0.00488 -0.00051 0.00507 0.00141 80 7D+1 -0.00365 -0.00106 0.00319 0.00327 -0.00539 81 7D-1 0.00080 -0.00009 0.00271 -0.00296 -0.00065 82 7D+2 0.00132 0.00200 0.00525 -0.00007 -0.00024 83 7D-2 0.00269 0.00025 0.00585 0.00042 -0.00062 84 8D 0 0.00006 -0.00136 -0.00046 0.00084 0.00046 85 8D+1 -0.00126 -0.00046 0.00053 0.00032 -0.00194 86 8D-1 0.00021 -0.00040 -0.00019 -0.00106 -0.00038 87 8D+2 0.00003 -0.00031 -0.00009 -0.00109 -0.00023 88 8D-2 -0.00006 0.00046 0.00211 0.00014 -0.00025 89 5 Cu 1S 0.00086 -0.00063 0.00074 0.00064 0.00114 90 2S 0.00663 0.00526 -0.00663 -0.00460 -0.00016 91 3S 0.02371 0.02060 -0.00637 -0.00525 0.00102 92 4PX -0.00482 0.00058 -0.00111 -0.00149 0.00048 93 4PY 0.00054 -0.00240 0.00060 -0.00048 0.00067 94 4PZ 0.00072 0.00331 -0.00210 -0.00014 -0.00232 95 5PX 0.00879 -0.00154 0.00641 0.00238 0.00026 96 5PY -0.00553 0.00219 0.00166 -0.00147 0.00066 97 5PZ -0.00622 -0.02084 0.00411 -0.00401 -0.00146 98 6PX -0.00459 -0.00818 -0.00336 -0.00539 0.00048 99 6PY 0.00105 0.01942 0.01256 0.01137 -0.00386 100 6PZ -0.00164 0.01431 0.00526 0.00611 -0.00242 101 7D 0 -0.00208 -0.00629 0.00526 0.00065 -0.00435 102 7D+1 0.00346 -0.00296 0.00070 0.00288 0.00294 103 7D-1 -0.00090 0.00220 -0.00459 -0.00164 0.00169 104 7D+2 0.00541 -0.00249 0.00120 0.00365 -0.00183 105 7D-2 0.00157 -0.00141 0.00018 -0.00126 -0.00027 106 8D 0 -0.00031 -0.00089 0.00107 0.00060 -0.00112 107 8D+1 -0.00078 -0.00079 -0.00057 -0.00039 0.00094 108 8D-1 0.00021 -0.00052 -0.00074 -0.00059 0.00042 109 8D+2 0.00195 0.00022 0.00049 0.00154 -0.00064 110 8D-2 -0.00098 -0.00076 -0.00025 -0.00051 -0.00007 111 6 Cu 1S 0.00009 -0.00012 0.00019 0.00104 0.00087 112 2S 0.00148 -0.00415 0.00578 0.01411 -0.00004 113 3S 0.00049 -0.00162 0.01310 0.02457 0.00016 114 4PX 0.00012 0.00018 -0.00104 0.00039 0.00192 115 4PY -0.00015 0.00062 -0.00128 -0.00009 -0.00098 116 4PZ -0.00071 0.00170 -0.00087 -0.00052 -0.00137 117 5PX -0.00044 -0.00085 0.00385 0.00244 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Cu 1S 0.00059 -0.00302 -0.00018 0.00065 -0.00226 134 2S 0.00929 -0.03504 -0.04560 -0.03047 0.05483 135 3S 0.01028 -0.02815 0.00008 -0.01100 -0.03325 136 4PX -0.00155 0.00109 -0.00478 0.00415 -0.00833 137 4PY 0.00225 0.00018 0.00177 -0.00678 -0.00599 138 4PZ -0.00122 0.00140 -0.00402 -0.00172 0.00308 139 5PX 0.00231 -0.00005 0.01351 -0.00444 -0.00099 140 5PY -0.00672 -0.00189 0.00050 0.00949 -0.00718 141 5PZ 0.00133 0.00652 0.00580 -0.00231 0.00943 142 6PX -0.00420 -0.00356 0.01034 -0.00140 -0.00122 143 6PY 0.00856 0.00294 0.01172 0.00938 -0.01197 144 6PZ -0.00096 0.00253 0.00430 -0.00220 0.02468 145 7D 0 0.01291 -0.03145 0.00039 -0.03084 0.15573 146 7D+1 -0.00401 0.01137 -0.05162 -0.01334 -0.02645 147 7D-1 0.01689 0.01539 -0.00753 -0.02683 -0.04928 148 7D+2 -0.00140 0.00221 -0.02744 0.02291 -0.00975 149 7D-2 0.00153 -0.00383 0.00197 -0.01765 0.00780 150 8D 0 0.00240 -0.00406 0.00000 -0.01020 0.05222 151 8D+1 -0.00096 0.00170 -0.01623 -0.00451 -0.00910 152 8D-1 0.00685 0.00260 -0.00177 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0.00405 -0.00025 -0.00313 -0.00095 -0.00373 134 2S -0.01129 0.01223 -0.02703 0.03696 -0.04351 135 3S 0.05365 -0.00332 -0.07682 0.32259 -0.12603 136 4PX 0.00925 -0.00055 -0.00680 -0.00560 -0.01375 137 4PY 0.00134 0.00764 -0.00368 -0.01326 0.00136 138 4PZ 0.00975 0.00841 -0.00291 0.03257 -0.00564 139 5PX 0.01218 0.00216 -0.00865 0.05995 0.02056 140 5PY 0.00868 0.00150 -0.01611 0.06240 -0.00140 141 5PZ -0.00736 0.00378 0.02391 -0.12282 0.06166 142 6PX -0.00289 -0.00302 -0.00138 0.04123 -0.03236 143 6PY -0.00629 0.00189 0.01675 -0.01369 0.02822 144 6PZ -0.02810 0.00514 0.02487 -0.01332 0.04134 145 7D 0 -0.00892 0.00294 0.05197 -0.03168 0.01606 146 7D+1 0.08012 0.00584 -0.02240 0.02224 0.05750 147 7D-1 -0.01786 0.03717 0.03034 0.03202 -0.00494 148 7D+2 0.02084 0.02773 -0.00560 0.00543 -0.00817 149 7D-2 0.01637 0.01570 -0.00429 -0.01136 -0.01648 150 8D 0 -0.00321 0.00119 0.01799 -0.01111 0.00341 151 8D+1 0.02609 0.00144 -0.00688 0.00271 0.01283 152 8D-1 -0.00588 0.01285 0.01101 0.00508 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-0.01356 -0.00502 -0.00300 0.00635 -0.00998 182 4PZ -0.01619 0.01333 -0.00170 -0.00012 0.00973 183 5PX 0.00181 -0.01198 0.00627 0.01103 -0.00359 184 5PY -0.00050 0.00708 -0.00299 -0.01288 0.00979 185 5PZ -0.00115 0.00921 -0.00408 0.00240 0.01029 186 10 O 1S 0.00923 -0.00018 -0.00054 0.00048 -0.00069 187 2S -0.01882 0.00076 0.00107 -0.00091 0.00167 188 3S -0.02962 0.00005 0.00451 -0.00456 0.00459 189 4PX -0.00996 0.00388 -0.00805 -0.00601 0.00194 190 4PY 0.04394 0.00385 0.00131 -0.00445 0.00644 191 4PZ -0.02650 -0.01235 0.00171 -0.00047 -0.00909 192 5PX -0.00328 0.00555 -0.00599 -0.00541 0.00138 193 5PY 0.01128 0.00065 0.00106 -0.00019 0.00208 194 5PZ -0.01187 -0.00915 0.00239 -0.00106 -0.00701 171 172 173 174 175 171 7D-2 1.50184 172 8D 0 0.00122 0.16562 173 8D+1 -0.00009 0.00112 0.16376 174 8D-1 -0.00113 0.00003 -0.00002 0.16517 175 8D+2 -0.00038 -0.00149 0.00043 -0.00033 0.16369 176 8D-2 0.49434 0.00058 0.00038 -0.00057 -0.00036 177 9 C 1S 0.00084 -0.00015 0.00088 -0.00091 0.00102 178 2S -0.00175 -0.00069 -0.00164 0.00287 -0.00339 179 3S -0.00564 0.00812 -0.00898 -0.00321 0.00187 180 4PX 0.00970 -0.00079 0.00308 0.00214 -0.00054 181 4PY -0.00013 -0.00109 -0.00124 0.00219 -0.00320 182 4PZ 0.00280 0.00431 -0.00047 0.00013 0.00302 183 5PX 0.00351 -0.00400 0.00203 0.00386 -0.00088 184 5PY 0.00044 0.00273 -0.00093 -0.00443 0.00345 185 5PZ 0.00439 0.00293 -0.00119 0.00100 0.00310 186 10 O 1S -0.00022 -0.00004 -0.00018 0.00043 -0.00031 187 2S 0.00058 0.00014 0.00038 -0.00091 0.00070 188 3S 0.00144 -0.00023 0.00169 -0.00232 0.00174 189 4PX -0.00839 0.00048 -0.00260 -0.00233 0.00045 190 4PY -0.00017 0.00126 0.00044 -0.00120 0.00195 191 4PZ -0.00267 -0.00379 0.00027 0.00000 -0.00276 192 5PX -0.00585 0.00147 -0.00195 -0.00196 0.00025 193 5PY -0.00026 0.00006 0.00040 -0.00003 0.00060 194 5PZ -0.00246 -0.00286 0.00060 -0.00039 -0.00208 176 177 178 179 180 176 8D-2 0.16293 177 9 C 1S 0.00045 2.09439 178 2S -0.00099 -0.19857 0.51075 179 3S -0.00216 -0.20142 0.39310 0.43486 180 4PX 0.00270 0.01084 -0.01509 -0.06400 0.37275 181 4PY -0.00063 -0.05156 0.07667 0.29235 -0.06854 182 4PZ 0.00085 -0.00718 0.00899 0.04466 -0.02026 183 5PX 0.00084 0.01189 -0.02127 -0.01774 0.06372 184 5PY 0.00004 -0.04757 0.09037 0.07648 0.01484 185 5PZ 0.00156 -0.00664 0.01044 0.01089 -0.00170 186 10 O 1S -0.00019 0.01223 -0.01156 0.04104 -0.01555 187 2S 0.00048 -0.01981 0.01102 -0.09533 0.03796 188 3S 0.00065 0.01741 -0.09346 -0.10185 -0.00609 189 4PX -0.00230 0.02366 -0.06042 -0.00820 0.42136 190 4PY 0.00031 -0.10629 0.27373 0.00147 0.21614 191 4PZ -0.00086 -0.01615 0.04111 0.00698 0.04152 192 5PX -0.00159 0.00294 -0.00813 -0.00236 0.15653 193 5PY 0.00004 -0.01599 0.04058 -0.00056 0.05102 194 5PZ -0.00083 -0.00231 0.00652 0.00180 0.01408 181 182 183 184 185 181 4PY 0.67343 182 4PZ 0.04512 0.36129 183 5PX 0.01502 -0.00241 0.01789 184 5PY 0.00109 -0.00897 -0.00150 0.02708 185 5PZ -0.01083 0.06020 -0.00237 0.00146 0.01585 186 10 O 1S 0.07042 0.01044 0.00176 -0.00544 -0.00103 187 2S 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3S 0.00896 0.00024 0.80774 4 4PX 0.00000 0.00000 0.00000 1.99720 5 4PY 0.00000 0.00000 0.00000 0.00000 1.99878 6 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 7 5PX 0.00000 0.00000 0.00000 0.00463 0.00000 8 5PY 0.00000 0.00000 0.00000 0.00000 0.00573 9 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 6PX 0.00000 0.00000 0.00000 -0.00079 0.00000 11 6PY 0.00000 0.00000 0.00000 0.00000 -0.00061 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 -0.00024 -0.00077 0.00000 0.00000 24 2S -0.00036 0.01594 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0.00001 0.00000 -0.00001 -0.00001 66 8D-2 0.00000 0.00022 0.00026 0.00000 0.00000 67 4 Cu 1S 0.00000 -0.00047 0.00018 0.00000 0.00000 68 2S -0.00044 0.01391 -0.05202 -0.00060 -0.00024 69 3S -0.00023 -0.01714 0.00011 -0.00024 -0.00010 70 4PX 0.00000 -0.00057 -0.00012 0.00000 0.00000 71 4PY 0.00000 -0.00012 -0.00001 0.00000 0.00000 72 4PZ 0.00000 -0.00013 -0.00048 0.00000 0.00000 73 5PX -0.00030 0.01491 -0.00602 0.00006 -0.00019 74 5PY -0.00006 0.00395 0.00135 -0.00016 -0.00003 75 5PZ -0.00016 -0.00141 -0.00039 -0.00030 -0.00012 76 6PX 0.00020 -0.00608 0.00860 0.00003 0.00006 77 6PY -0.00012 0.00007 -0.00686 0.00004 0.00014 78 6PZ -0.00008 0.00279 -0.01001 0.00005 -0.00003 79 7D 0 0.00000 0.00000 0.00001 0.00000 0.00000 80 7D+1 0.00000 0.00041 0.00058 0.00000 0.00000 81 7D-1 0.00000 0.00011 0.00029 0.00000 0.00000 82 7D+2 0.00000 -0.00002 0.00006 0.00000 0.00000 83 7D-2 0.00000 0.00025 0.00032 0.00000 0.00000 84 8D 0 0.00000 0.00001 0.00003 -0.00001 0.00000 85 8D+1 0.00001 0.00163 0.00293 -0.00008 -0.00004 86 8D-1 0.00001 0.00045 0.00141 -0.00005 -0.00001 87 8D+2 0.00000 -0.00008 0.00029 0.00000 -0.00003 88 8D-2 0.00001 0.00099 0.00154 -0.00003 0.00000 89 5 Cu 1S 0.00000 -0.00036 -0.00023 0.00000 0.00000 90 2S -0.00035 0.02963 -0.05556 -0.00002 -0.00052 91 3S -0.00065 0.01056 -0.09704 0.00001 -0.00030 92 4PX 0.00000 0.00000 0.00002 0.00000 0.00000 93 4PY 0.00000 -0.00032 -0.00024 0.00000 0.00000 94 4PZ 0.00000 -0.00041 -0.00116 0.00000 0.00000 95 5PX 0.00000 -0.00046 -0.00058 -0.00016 0.00000 96 5PY -0.00017 0.00957 -0.00375 0.00001 0.00001 97 5PZ -0.00030 0.00888 -0.01031 0.00002 -0.00030 98 6PX -0.00001 -0.00025 0.00015 0.00014 -0.00001 99 6PY -0.00006 -0.00079 -0.01239 0.00000 -0.00002 100 6PZ -0.00008 -0.00237 -0.01305 0.00001 0.00001 101 7D 0 0.00000 0.00018 0.00026 0.00000 0.00000 102 7D+1 0.00000 0.00001 0.00000 0.00000 0.00000 103 7D-1 0.00000 0.00062 0.00081 0.00000 0.00000 104 7D+2 0.00000 0.00007 0.00004 0.00000 0.00000 105 7D-2 0.00000 -0.00001 0.00001 0.00000 0.00000 106 8D 0 0.00001 0.00080 0.00130 0.00000 -0.00008 107 8D+1 0.00000 0.00003 0.00000 -0.00003 0.00000 108 8D-1 0.00003 0.00238 0.00400 0.00000 -0.00004 109 8D+2 0.00000 0.00026 0.00019 0.00000 0.00000 110 8D-2 0.00000 -0.00005 0.00003 -0.00002 0.00000 111 6 Cu 1S 0.00000 -0.00029 -0.00021 0.00000 0.00000 112 2S -0.00025 0.01771 -0.00170 -0.00119 -0.00026 113 3S -0.00091 0.00308 -0.09918 -0.00063 0.00009 114 4PX 0.00000 -0.00058 -0.00133 0.00000 0.00000 115 4PY 0.00000 -0.00002 -0.00014 0.00000 0.00000 116 4PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 117 5PX -0.00056 0.01590 -0.01298 -0.00049 0.00005 118 5PY -0.00010 -0.00197 -0.00427 -0.00018 -0.00010 119 5PZ 0.00000 -0.00008 -0.00007 0.00000 0.00000 120 6PX -0.00021 -0.00071 -0.03154 0.00000 0.00008 121 6PY -0.00003 0.00066 -0.00774 -0.00003 0.00011 122 6PZ 0.00001 0.00004 0.00020 0.00000 0.00000 123 7D 0 0.00000 0.00026 0.00021 0.00000 0.00000 124 7D+1 0.00000 0.00001 0.00001 0.00000 0.00000 125 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 126 7D+2 0.00000 0.00032 0.00038 0.00000 0.00000 127 7D-2 0.00000 0.00013 0.00041 0.00000 0.00000 128 8D 0 0.00001 0.00105 0.00110 -0.00005 -0.00001 129 8D+1 0.00000 0.00003 0.00006 0.00000 0.00000 130 8D-1 0.00000 0.00000 -0.00001 0.00000 0.00000 131 8D+2 0.00001 0.00134 0.00183 -0.00009 -0.00005 132 8D-2 0.00000 0.00058 0.00212 -0.00011 0.00001 133 7 Cu 1S 0.00000 -0.00041 -0.00030 0.00000 0.00000 134 2S -0.00042 -0.00006 -0.04965 -0.00062 -0.00037 135 3S -0.00072 -0.02129 0.04634 -0.00022 -0.00005 136 4PX 0.00000 -0.00041 -0.00024 0.00000 0.00000 137 4PY 0.00000 -0.00024 -0.00001 0.00000 0.00000 138 4PZ 0.00000 -0.00001 -0.00014 0.00000 0.00000 139 5PX -0.00054 0.00839 -0.00218 -0.00004 -0.00036 140 5PY -0.00025 0.00449 0.00196 -0.00038 0.00002 141 5PZ -0.00009 -0.00088 -0.00067 -0.00016 -0.00002 142 6PX -0.00006 0.00023 0.00124 0.00003 0.00008 143 6PY 0.00018 0.00191 0.00142 0.00013 0.00003 144 6PZ -0.00007 0.00087 0.00226 0.00003 0.00000 145 7D 0 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6PY -0.00012 0.00123 -0.00882 -0.00001 0.00002 166 6PZ -0.00001 -0.00625 -0.02310 0.00002 0.00003 167 7D 0 0.00000 0.00038 0.00019 0.00000 0.00000 168 7D+1 0.00000 0.00044 0.00019 0.00000 0.00000 169 7D-1 0.00000 0.00040 0.00048 0.00000 0.00000 170 7D+2 0.00000 0.00000 0.00001 0.00000 0.00000 171 7D-2 0.00000 0.00004 0.00005 0.00000 0.00000 172 8D 0 0.00004 0.00150 0.00100 -0.00007 -0.00008 173 8D+1 0.00004 0.00154 0.00101 0.00000 -0.00007 174 8D-1 0.00003 0.00147 0.00245 -0.00005 0.00001 175 8D+2 0.00000 -0.00001 0.00003 -0.00002 -0.00001 176 8D-2 0.00001 0.00020 0.00027 0.00000 0.00000 177 9 C 1S 0.00000 0.00000 -0.00009 0.00000 0.00000 178 2S 0.00000 -0.00003 0.00190 0.00000 0.00000 179 3S 0.00000 -0.00059 0.00610 0.00000 0.00000 180 4PX 0.00000 -0.00002 0.00012 0.00000 0.00000 181 4PY 0.00000 -0.00006 0.00414 0.00000 0.00000 182 4PZ 0.00000 -0.00001 0.00010 0.00000 0.00000 183 5PX 0.00000 -0.00013 0.00000 0.00000 0.00000 184 5PY 0.00000 -0.00106 -0.00248 0.00000 0.00000 185 5PZ 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0.00000 0.00000 0.00000 0.16517 175 8D+2 0.00000 0.00000 0.00000 0.00000 0.16369 176 8D-2 0.14722 0.00000 0.00000 0.00000 0.00000 177 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 184 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 185 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3S 0.00000 0.00000 0.00000 0.00000 0.00000 189 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 190 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 8D-2 0.16293 177 9 C 1S 0.00000 2.09439 178 2S 0.00000 -0.04980 0.51075 179 3S 0.00000 -0.03629 0.31331 0.43486 180 4PX 0.00000 0.00000 0.00000 0.00000 0.37275 181 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00000 0.00000 0.00000 0.00000 0.03433 184 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 185 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 -0.00034 0.00234 -0.00023 187 2S 0.00000 -0.00028 0.00227 -0.02975 0.00298 188 3S 0.00000 0.00130 -0.03741 -0.05832 -0.00056 189 4PX 0.00000 -0.00025 0.00355 0.00031 0.05929 190 4PY 0.00000 -0.00505 0.07322 0.00025 0.02089 191 4PZ 0.00000 -0.00011 0.00163 0.00018 0.00060 192 5PX 0.00000 -0.00010 0.00106 0.00027 0.05632 193 5PY 0.00000 -0.00252 0.02399 -0.00029 0.00565 194 5PZ 0.00000 -0.00005 0.00057 0.00014 0.00023 181 182 183 184 185 181 4PY 0.67343 182 4PZ 0.00000 0.36129 183 5PX 0.00000 0.00000 0.01789 184 5PY 0.00059 0.00000 0.00000 0.02708 185 5PZ 0.00000 0.03243 0.00000 0.00000 0.01585 186 10 O 1S -0.00483 -0.00011 0.00003 0.00043 0.00001 187 2S 0.06221 0.00134 -0.00012 -0.00017 -0.00005 188 3S -0.01079 -0.00027 0.00057 0.01283 0.00021 189 4PX 0.02080 0.00059 0.01087 -0.00019 0.00002 190 4PY 0.14465 0.00943 -0.00011 0.00104 -0.00004 191 4PZ 0.00938 0.06847 0.00003 -0.00013 0.01058 192 5PX 0.00574 0.00023 0.01062 0.00001 0.00004 193 5PY 0.00818 0.00254 0.00013 0.00192 0.00005 194 5PZ 0.00258 0.06157 0.00005 -0.00003 0.01065 186 187 188 189 190 186 10 O 1S 2.11861 187 2S -0.07079 0.60521 188 3S -0.04539 0.41313 0.53837 189 4PX 0.00000 0.00000 0.00000 0.84046 190 4PY 0.00000 0.00000 0.00000 0.00000 0.85521 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.16316 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.08603 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 191 4PZ 0.83917 192 5PX 0.00000 0.12858 193 5PY 0.00000 0.00000 0.04545 194 5PZ 0.16507 0.00000 0.00000 0.13042 Gross orbital populations: 1 1 1 Cu 1S 2.00247 2 2S 0.61919 3 3S -0.32216 4 4PX 1.99479 5 4PY 1.99495 6 4PZ 1.99509 7 5PX 0.20594 8 5PY 0.16876 9 5PZ 0.28576 10 6PX 0.01694 11 6PY -0.01237 12 6PZ 0.16135 13 7D 0 1.62966 14 7D+1 1.63281 15 7D-1 1.63851 16 7D+2 1.65132 17 7D-2 1.65587 18 8D 0 0.31917 19 8D+1 0.31958 20 8D-1 0.31751 21 8D+2 0.30928 22 8D-2 0.31186 23 2 Cu 1S 1.99779 24 2S 0.61954 25 3S -0.04577 26 4PX 1.99539 27 4PY 1.99614 28 4PZ 1.99511 29 5PX 0.23359 30 5PY 0.32487 31 5PZ 0.27207 32 6PX -0.02791 33 6PY 0.07086 34 6PZ -0.07442 35 7D 0 1.65217 36 7D+1 1.66376 37 7D-1 1.61300 38 7D+2 1.62082 39 7D-2 1.62255 40 8D 0 0.30456 41 8D+1 0.30329 42 8D-1 0.31174 43 8D+2 0.30630 44 8D-2 0.30873 45 3 Cu 1S 2.00506 46 2S 0.70736 47 3S 0.25021 48 4PX 1.99474 49 4PY 1.99464 50 4PZ 1.99426 51 5PX 0.07290 52 5PY 0.04313 53 5PZ 0.05141 54 6PX 0.02819 55 6PY -0.03327 56 6PZ 0.00586 57 7D 0 1.64551 58 7D+1 1.65201 59 7D-1 1.64002 60 7D+2 1.65112 61 7D-2 1.65603 62 8D 0 0.32467 63 8D+1 0.32487 64 8D-1 0.32433 65 8D+2 0.32271 66 8D-2 0.32381 67 4 Cu 1S 2.00473 68 2S 0.65765 69 3S 0.10924 70 4PX 1.99474 71 4PY 1.99481 72 4PZ 1.99446 73 5PX 0.16959 74 5PY 0.10728 75 5PZ 0.10801 76 6PX -0.00966 77 6PY -0.00671 78 6PZ 0.01504 79 7D 0 1.64985 80 7D+1 1.63545 81 7D-1 1.65062 82 7D+2 1.65535 83 7D-2 1.64174 84 8D 0 0.32104 85 8D+1 0.32263 86 8D-1 0.31889 87 8D+2 0.31893 88 8D-2 0.32077 89 5 Cu 1S 2.00509 90 2S 0.69254 91 3S 0.26590 92 4PX 1.99473 93 4PY 1.99476 94 4PZ 1.99428 95 5PX 0.07711 96 5PY 0.12863 97 5PZ 0.07022 98 6PX 0.01125 99 6PY -0.00190 100 6PZ 0.00532 101 7D 0 1.64453 102 7D+1 1.65601 103 7D-1 1.63618 104 7D+2 1.64366 105 7D-2 1.65765 106 8D 0 0.32231 107 8D+1 0.32270 108 8D-1 0.32390 109 8D+2 0.32259 110 8D-2 0.32149 111 6 Cu 1S 2.00524 112 2S 0.68879 113 3S 0.21663 114 4PX 1.99457 115 4PY 1.99471 116 4PZ 1.99477 117 5PX 0.07864 118 5PY 0.11392 119 5PZ 0.10131 120 6PX 0.01187 121 6PY 0.00640 122 6PZ -0.01153 123 7D 0 1.64514 124 7D+1 1.65292 125 7D-1 1.63982 126 7D+2 1.64481 127 7D-2 1.65479 128 8D 0 0.32425 129 8D+1 0.32177 130 8D-1 0.32400 131 8D+2 0.32095 132 8D-2 0.32179 133 7 Cu 1S 2.00378 134 2S 0.66358 135 3S 0.04706 136 4PX 1.99449 137 4PY 1.99453 138 4PZ 1.99485 139 5PX 0.12439 140 5PY 0.14958 141 5PZ 0.12942 142 6PX 0.02674 143 6PY 0.05420 144 6PZ 0.01820 145 7D 0 1.63946 146 7D+1 1.63833 147 7D-1 1.64127 148 7D+2 1.65932 149 7D-2 1.64309 150 8D 0 0.31918 151 8D+1 0.31827 152 8D-1 0.31882 153 8D+2 0.31358 154 8D-2 0.31686 155 8 Cu 1S 2.00454 156 2S 0.68185 157 3S 0.17254 158 4PX 1.99486 159 4PY 1.99453 160 4PZ 1.99438 161 5PX 0.09064 162 5PY 0.09950 163 5PZ 0.06295 164 6PX -0.01161 165 6PY 0.03214 166 6PZ -0.00078 167 7D 0 1.64526 168 7D+1 1.64036 169 7D-1 1.64710 170 7D+2 1.65743 171 7D-2 1.65182 172 8D 0 0.32469 173 8D+1 0.32407 174 8D-1 0.32388 175 8D+2 0.32078 176 8D-2 0.32165 177 9 C 1S 1.99854 178 2S 0.88629 179 3S 0.67870 180 4PX 0.57585 181 4PY 0.94222 182 4PZ 0.56232 183 5PX 0.09518 184 5PY 0.04200 185 5PZ 0.09074 186 10 O 1S 1.99922 187 2S 0.99124 188 3S 0.83615 189 4PX 1.09837 190 4PY 1.17824 191 4PZ 1.09538 192 5PX 0.36305 193 5PY 0.16637 194 5PZ 0.36949 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.866590 -0.341950 -0.139635 -0.016261 -0.153913 -0.094173 2 Cu -0.341950 19.416130 -0.030314 -0.103056 -0.039820 0.039099 3 Cu -0.139635 -0.030314 18.986010 -0.046108 0.076089 0.064091 4 Cu -0.016261 -0.103056 -0.046108 19.172980 0.025718 -0.089149 5 Cu -0.153913 -0.039820 0.076089 0.025718 19.095260 0.064726 6 Cu -0.094173 0.039099 0.064091 -0.089149 0.064726 19.068147 7 Cu -0.009366 -0.183765 0.105400 -0.066674 -0.008043 -0.001981 8 Cu -0.225539 0.102894 -0.035166 0.083025 0.029913 -0.003926 9 C 0.009899 0.163867 0.006065 0.019924 0.009269 -0.001238 10 O 0.000659 0.041094 -0.006859 -0.005934 -0.010243 -0.000038 7 8 9 10 1 Cu -0.009366 -0.225539 0.009899 0.000659 2 Cu -0.183765 0.102894 0.163867 0.041094 3 Cu 0.105400 -0.035166 0.006065 -0.006859 4 Cu -0.066674 0.083025 0.019924 -0.005934 5 Cu -0.008043 0.029913 0.009269 -0.010243 6 Cu -0.001981 -0.003926 -0.001238 -0.000038 7 Cu 19.180008 -0.006150 0.007116 -0.007541 8 Cu -0.006150 19.031035 -0.003240 -0.000264 9 C 0.007116 -0.003240 5.097446 0.562747 10 O -0.007541 -0.000264 0.562747 7.523896 Mulliken atomic charges: 1 1 Cu 0.103689 2 Cu -0.064179 3 Cu 0.020427 4 Cu 0.025534 5 Cu -0.088956 6 Cu -0.045557 7 Cu -0.009005 8 Cu 0.027419 9 C 0.128145 10 O -0.097518 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.103689 2 Cu -0.064179 3 Cu 0.020427 4 Cu 0.025534 5 Cu -0.088956 6 Cu -0.045557 7 Cu -0.009005 8 Cu 0.027419 9 C 0.128145 10 O -0.097518 Sum of Mulliken charges= 0.00000 Electronic spatial extent (au): = 4066.1675 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0868 Y= -0.0319 Z= -0.1530 Tot= 0.1788 Quadrupole moment (field-independent basis, Debye-Ang): XX= -116.1751 YY= -121.3073 ZZ= -107.3714 XY= -2.5005 XZ= -0.6326 YZ= 0.8871 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.2239 YY= -6.3560 ZZ= 7.5799 XY= -2.5005 XZ= -0.6326 YZ= 0.8871 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 39.9614 YYY= 312.8335 ZZZ= -98.0429 XYY= 6.6195 XXY= 95.0567 XXZ= -38.1944 XZZ= 17.2478 YZZ= 88.9668 YYZ= -30.8720 XYZ= -3.2478 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1070.8420 YYYY= -2789.0004 ZZZZ= -1407.3990 XXXY= 252.0232 XXXZ= 98.5930 YYYX= 326.0489 YYYZ= -164.3769 ZZZX= 103.2971 ZZZY= -118.9754 XXYY= -599.4388 XXZZ= -406.6804 YYZZ= -651.3905 XXYZ= -50.8917 YYXZ= 51.3344 ZZXY= 81.2050 N-N= 2.111906034655D+03 E-N=-8.333472502763D+03 KE= 1.132122224167D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.27411 29.12433 2 O -10.35428 15.96889 3 O -4.34375 2.68661 4 O -4.30933 2.68705 5 O -4.29639 2.68705 6 O -4.29430 2.68716 7 O -4.28933 2.68747 8 O -4.28802 2.68746 9 O -4.28738 2.68652 10 O -4.28696 2.68823 11 O -2.85534 5.08078 12 O -2.84780 5.08645 13 O -2.84672 5.08891 14 O -2.81851 5.07977 15 O -2.81607 5.08568 16 O -2.81433 5.08243 17 O -2.80478 5.07872 18 O -2.80381 5.08470 19 O -2.80280 5.08380 20 O -2.80196 5.09511 21 O -2.80165 5.08399 22 O -2.80006 5.08134 23 O -2.79781 5.08793 24 O -2.79745 5.08556 25 O -2.79690 5.08227 26 O -2.79654 5.08640 27 O -2.79549 5.08703 28 O -2.79528 5.09036 29 O -2.79473 5.08938 30 O -2.79464 5.08454 31 O -2.79388 5.08965 32 O -2.79379 5.09529 33 O -2.79307 5.09052 34 O -2.79276 5.09141 35 O -1.19046 2.85862 36 O -0.58944 2.51865 37 O -0.48623 2.05551 38 O -0.48596 2.03318 39 O -0.47709 2.37945 40 O -0.36396 1.84643 41 O -0.34078 7.64306 42 O -0.33414 7.95053 43 O -0.32671 7.89160 44 O -0.32393 8.17737 45 O -0.32241 8.47702 46 O -0.32174 8.17720 47 O -0.31518 7.57229 48 O -0.31325 8.25610 49 O -0.30804 8.49931 50 O -0.30140 8.43276 51 O -0.29755 8.47494 52 O -0.29453 8.62662 53 O -0.29217 8.70260 54 O -0.29103 8.87691 55 O -0.28803 8.43495 56 O -0.28540 8.45680 57 O -0.28353 8.86878 58 O -0.28121 8.56057 59 O -0.27848 8.73335 60 O -0.27663 9.03724 61 O -0.27540 8.99648 62 O -0.27123 8.91994 63 O -0.26982 8.89195 64 O -0.26740 9.15496 65 O -0.26529 9.38811 66 O -0.26513 9.28221 67 O -0.26357 9.42456 68 O -0.26311 9.23986 69 O -0.26220 9.35551 70 O -0.26061 9.43321 71 O -0.25952 9.38110 72 O -0.25859 9.40230 73 O -0.25749 9.53017 74 O -0.25666 9.56656 75 O -0.25440 9.56796 76 O -0.25340 9.64036 77 O -0.25156 9.54854 78 O -0.25068 9.62759 79 O -0.24940 9.64490 80 O -0.24696 9.61140 81 O -0.22022 3.55847 82 O -0.19551 2.70395 83 O -0.17704 1.98639 84 V -0.10042 1.53467 85 V -0.08849 1.72987 86 V -0.08178 1.34507 87 V -0.07484 1.01321 88 V -0.05765 1.53518 89 V -0.04991 1.12309 90 V -0.03818 0.58431 91 V -0.02482 0.87415 92 V -0.01851 0.61392 93 V -0.00348 0.52579 94 V 0.00349 0.54441 95 V 0.01709 0.61093 96 V 0.01819 0.41810 97 V 0.02573 0.46735 98 V 0.02993 0.52200 99 V 0.03391 0.37039 100 V 0.03596 0.41414 101 V 0.04058 0.33085 102 V 0.04143 0.34575 103 V 0.04411 0.38209 104 V 0.04890 0.34886 105 V 0.05361 0.42775 106 V 0.05578 0.39066 107 V 0.05684 0.35461 108 V 0.06340 0.44391 109 V 0.07223 0.34375 110 V 0.07683 0.37905 111 V 0.07830 0.34646 112 V 0.08196 0.35591 113 V 0.08368 0.29250 114 V 0.08453 0.29937 115 V 0.08762 0.30546 116 V 0.08988 0.46449 117 V 0.09490 0.40545 118 V 0.10253 0.49310 119 V 0.10380 0.36112 120 V 0.10641 0.47344 121 V 0.12663 0.50448 122 V 0.14263 0.92549 123 V 0.15113 1.05701 124 V 0.17472 0.95720 125 V 0.18474 1.12996 126 V 0.19840 1.15501 127 V 0.20503 1.05940 128 V 0.22147 1.34667 129 V 0.24202 1.29338 130 V 0.25582 1.43105 131 V 0.26913 1.31638 132 V 0.26988 1.37203 133 V 0.27995 1.31918 134 V 0.29351 1.37367 135 V 0.30303 1.56831 136 V 0.31203 1.68610 137 V 0.33141 1.22188 138 V 0.33637 1.65914 139 V 0.38706 1.39218 140 V 0.41188 1.40499 141 V 0.53429 2.71668 142 V 0.62043 4.21881 143 V 0.64335 4.09362 144 V 0.64668 3.92876 145 V 0.65533 4.14596 146 V 0.66973 3.48497 147 V 0.67933 4.05598 148 V 0.71014 3.90981 149 V 0.72095 3.77355 150 V 0.73992 4.07297 151 V 0.74648 3.81553 152 V 0.75095 4.01879 153 V 0.77018 4.36127 154 V 0.78431 4.15614 155 V 0.78707 3.96375 156 V 0.80472 4.09348 157 V 0.83430 3.82702 158 V 0.84999 4.44585 159 V 0.85916 3.71290 160 V 0.86797 4.30884 161 V 0.88100 4.33960 162 V 0.89653 4.23720 163 V 0.92902 4.34074 164 V 0.96227 4.25424 165 V 0.97733 4.36992 166 V 0.99882 4.36136 167 V 1.03462 4.43665 168 V 1.03965 4.42501 169 V 1.04651 4.48373 170 V 1.06222 4.39145 171 V 1.08739 4.51470 172 V 1.11117 4.23903 173 V 1.13641 4.26453 174 V 1.18587 4.36083 175 V 1.23475 4.52271 176 V 1.24434 4.61499 177 V 1.26938 4.51159 178 V 1.27359 4.55852 179 V 1.29437 4.63816 180 V 1.30052 4.58861 181 V 1.30809 4.58876 182 V 1.32597 4.63255 183 V 1.33153 4.66028 184 V 1.34633 4.72902 185 V 1.37914 4.79805 186 V 1.61211 3.36101 187 V 1.62791 2.22679 188 V 1.85521 2.19546 189 V 1.87851 1.90718 190 V 1.99217 1.86595 191 V 2.05914 1.93702 192 V 3.09999 1.53431 193 V 4.17435 1.57182 194 V 10.44262 2.94982 Total kinetic energy from orbitals= 1.132122224167D+03 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sat Apr 12 10:10:56 2008, MaxMem= 12582912 cpu: 2.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l9999.exe) 1\1\GINC-CO-COMPUTE2\FOpt\RB3LYP\LANL2DZ\C1Cu8O1\ZNAMESKI\12-Apr-2008\ 0\\#P B3LYP/LANL2DZ Opt nosymm Pop=Full Freq(Raman) Geom=AllCheck\\Cu8 CO01_001\\0,1\Cu,0.5144007418,0.2804319464,0.2564183014\Cu,0.501365600 1,-2.2596860948,-0.0294685213\Cu,1.3001327203,-0.6097477296,-1.8338108 703\Cu,-1.2067965547,-0.7270661678,-1.2625311239\Cu,0.7010948147,-1.12 9823787,2.2750740593\Cu,-1.885905846,1.1519018733,0.3104074709\Cu,-1.4 785106419,-1.209781714,1.1256022406\Cu,-0.37582647,1.2613248315,2.2600 769698\C,1.0286004288,-4.0480973889,-0.4314001864\O,1.2770552068,-5.17 87297693,-0.5990923399\\Version=IA64L-G03RevE.01\HF=-1682.7464891\RMSD =5.905e-09\RMSF=1.256e-04\Thermal=0.\Dipole=0.0341507,-0.012548,-0.060 2056\PG=C01 [X(C1Cu8O1)]\\@ ABSOLUTISM, OBSOLETISM -- IF IT WORKS, IT'S OUT OF DATE -- STAFFORD BEER Leave Link 9999 at Sat Apr 12 10:10:56 2008, MaxMem= 12582912 cpu: 0.1 Job cpu time: 0 days 0 hours 3 minutes 17.1 seconds. File lengths (MBytes): RWF= 35 Int= 0 D2E= 0 Chk= 16 Scr= 1 Normal termination of Gaussian 03 at Sat Apr 12 10:10:56 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 RB3LYP/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=1,69=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=1,16=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 10:10:57 2008, MaxMem= 12582912 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l101.exe) ----------- Cu8CO01_001 ----------- Redundant internal coordinates taken from checkpoint file: Cu8CO01_001.chk Charge = 0 Multiplicity = 1 Cu,0,0.5144007418,0.2804319464,0.2564183014 Cu,0,0.5013656001,-2.2596860948,-0.0294685213 Cu,0,1.3001327203,-0.6097477296,-1.8338108703 Cu,0,-1.2067965547,-0.7270661678,-1.2625311239 Cu,0,0.7010948147,-1.129823787,2.2750740593 Cu,0,-1.885905846,1.1519018733,0.3104074709 Cu,0,-1.4785106419,-1.209781714,1.1256022406 Cu,0,-0.37582647,1.2613248315,2.2600769698 C,0,1.0286004288,-4.0480973889,-0.4314001864 O,0,1.2770552068,-5.1787297693,-0.5990923399 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 10 IAtWgt= 63 63 63 63 63 63 63 63 12 16 AtmWgt= 62.9295992 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 3 0 0 AtZEff= -17.6900000 -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 -22.0000000 0.0000000 0.0000000 NMagM= 2.2233000 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 10:10:57 2008, MaxMem= 12582912 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) 2.5562 calculate D2E/DX2 analytically ! ! R2 R(1,3) 2.4039 calculate D2E/DX2 analytically ! ! R3 R(1,4) 2.5069 calculate D2E/DX2 analytically ! ! R4 R(1,5) 2.4695 calculate D2E/DX2 analytically ! ! R5 R(1,6) 2.5542 calculate D2E/DX2 analytically ! ! R6 R(1,7) 2.6359 calculate D2E/DX2 analytically ! ! R7 R(1,8) 2.4019 calculate D2E/DX2 analytically ! ! R8 R(2,3) 2.5722 calculate D2E/DX2 analytically ! ! R9 R(2,7) 2.5212 calculate D2E/DX2 analytically ! ! R10 R(2,9) 1.9073 calculate D2E/DX2 analytically ! ! R11 R(4,6) 2.5428 calculate D2E/DX2 analytically ! ! R12 R(4,7) 2.4515 calculate D2E/DX2 analytically ! ! R13 R(5,7) 2.4654 calculate D2E/DX2 analytically ! ! R14 R(5,8) 2.6225 calculate D2E/DX2 analytically ! ! R15 R(6,8) 2.4685 calculate D2E/DX2 analytically ! ! R16 R(9,10) 1.1697 calculate D2E/DX2 analytically ! ! A1 A(2,1,4) 61.9254 calculate D2E/DX2 analytically ! ! A2 A(2,1,5) 61.5975 calculate D2E/DX2 analytically ! ! A3 A(2,1,6) 109.6711 calculate D2E/DX2 analytically ! ! A4 A(2,1,8) 119.8159 calculate D2E/DX2 analytically ! ! A5 A(3,1,4) 63.1767 calculate D2E/DX2 analytically ! ! A6 A(3,1,5) 118.3319 calculate D2E/DX2 analytically ! ! A7 A(3,1,6) 116.8648 calculate D2E/DX2 analytically ! ! A8 A(3,1,7) 108.9347 calculate D2E/DX2 analytically ! ! A9 A(3,1,8) 176.1076 calculate D2E/DX2 analytically ! ! A10 A(4,1,5) 108.5225 calculate D2E/DX2 analytically ! ! A11 A(4,1,8) 114.5247 calculate D2E/DX2 analytically ! ! A12 A(5,1,6) 104.3951 calculate D2E/DX2 analytically ! ! A13 A(6,1,7) 58.3591 calculate D2E/DX2 analytically ! ! A14 A(7,1,8) 71.0698 calculate D2E/DX2 analytically ! ! A15 A(3,2,7) 107.3452 calculate D2E/DX2 analytically ! ! A16 A(3,2,9) 111.5799 calculate D2E/DX2 analytically ! ! A17 A(7,2,9) 134.7557 calculate D2E/DX2 analytically ! ! A18 A(6,4,7) 60.8768 calculate D2E/DX2 analytically ! ! A19 A(7,5,8) 70.3586 calculate D2E/DX2 analytically ! ! A20 A(4,6,8) 110.9741 calculate D2E/DX2 analytically ! ! A21 A(2,7,4) 63.1705 calculate D2E/DX2 analytically ! ! A22 A(2,7,5) 62.151 calculate D2E/DX2 analytically ! ! A23 A(4,7,5) 110.4755 calculate D2E/DX2 analytically ! ! A24 A(5,8,6) 102.4335 calculate D2E/DX2 analytically ! ! A25 A(2,9,10) 174.4208 calculate D2E/DX2 analytically ! ! A26 L(1,2,9,5,-1) 182.905 calculate D2E/DX2 analytically ! ! A27 L(1,2,9,5,-2) 200.7892 calculate D2E/DX2 analytically ! ! D1 D(4,1,9,10) 150.0307 calculate D2E/DX2 analytically ! ! D2 D(5,1,9,10) -82.5056 calculate D2E/DX2 analytically ! ! D3 D(6,1,9,10) -176.152 calculate D2E/DX2 analytically ! ! D4 D(8,1,9,10) -105.9866 calculate D2E/DX2 analytically ! ! D5 D(3,2,7,4) 33.5931 calculate D2E/DX2 analytically ! ! D6 D(3,2,7,5) -101.6886 calculate D2E/DX2 analytically ! ! D7 D(9,2,7,4) -114.8691 calculate D2E/DX2 analytically ! ! D8 D(9,2,7,5) 109.8491 calculate D2E/DX2 analytically ! ! D9 D(3,2,9,10) -165.315 calculate D2E/DX2 analytically ! ! D10 D(7,2,9,10) -17.7884 calculate D2E/DX2 analytically ! ! D11 D(7,4,6,8) 50.5175 calculate D2E/DX2 analytically ! ! D12 D(6,4,7,2) -138.2066 calculate D2E/DX2 analytically ! ! D13 D(6,4,7,5) -96.5945 calculate D2E/DX2 analytically ! ! D14 D(8,5,7,2) 130.6549 calculate D2E/DX2 analytically ! ! D15 D(8,5,7,4) 88.5707 calculate D2E/DX2 analytically ! ! D16 D(7,5,8,6) -24.3178 calculate D2E/DX2 analytically ! ! D17 D(4,6,8,5) -19.9824 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 10:10:57 2008, MaxMem= 12582912 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 10:10:57 2008, MaxMem= 12582912 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 0.514401 0.280432 0.256418 2 29 0 0.501366 -2.259686 -0.029469 3 29 0 1.300133 -0.609748 -1.833811 4 29 0 -1.206797 -0.727066 -1.262531 5 29 0 0.701095 -1.129824 2.275074 6 29 0 -1.885906 1.151902 0.310407 7 29 0 -1.478511 -1.209782 1.125602 8 29 0 -0.375826 1.261325 2.260077 9 6 0 1.028600 -4.048097 -0.431400 10 8 0 1.277055 -5.178730 -0.599092 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.556189 0.000000 3 Cu 2.403924 2.572154 0.000000 4 Cu 2.506946 2.605223 2.573872 0.000000 5 Cu 2.469544 2.574373 4.184765 4.039420 0.000000 6 Cu 2.554182 4.177740 4.225154 2.542803 3.969730 7 Cu 2.635889 2.521190 4.103538 2.451535 2.465433 8 Cu 2.401937 4.290571 4.803090 4.129525 2.622513 9 C 4.412897 1.907339 3.723269 4.088646 3.993568 10 O 5.578171 3.073594 4.732933 5.140718 4.998620 6 7 8 9 10 6 Cu 0.000000 7 Cu 2.531415 0.000000 8 Cu 2.468506 2.934163 0.000000 9 C 6.007047 4.094618 6.116080 0.000000 10 O 7.135013 5.130328 7.237484 1.169692 0.000000 Symmetry turned off by external request. Stoichiometry CCu8O Framework group C1[X(CCu8O)] Deg. of freedom 24 Full point group C1 Rotational constants (GHZ): 0.3954345 0.2549648 0.2151957 Leave Link 202 at Sat Apr 12 10:10:58 2008, MaxMem= 12582912 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. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2111.9060346546 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= 10 NActive= 10 NUniq= 10 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sat Apr 12 10:10:58 2008, MaxMem= 12582912 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= 2775 NPrTT= 15425 LenC2= 2735 LenP2D= 11351. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 194 RedAO= T NBF= 194 NBsUse= 194 1.00D-06 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 616 NPtTot= 106390 NUsed= 110743 NTot= 110775 NSgBfM= 210 210 210 210. Leave Link 302 at Sat Apr 12 10:11:02 2008, MaxMem= 12582912 cpu: 9.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Sat Apr 12 10:11:02 2008, MaxMem= 12582912 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the checkpoint file: Cu8CO01_001.chk Guess basis will be translated and rotated to current coordinates. Leave Link 401 at Sat Apr 12 10:11:03 2008, MaxMem= 12582912 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed 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. 110742 words used for storage of precomputed grid. IEnd= 284425 IEndB= 284425 NGot= 12582912 MDV= 12359438 LenX= 12359438 Fock matrices will be formed incrementally for 20 cycles. Cycle 1 Pass 1 IDiag 1: 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. E= -1682.74648905204 DIIS: error= 2.22D-09 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.74648905204 IErMin= 1 ErrMin= 2.22D-09 ErrMax= 2.22D-09 EMaxC= 1.00D-01 BMatC= 2.73D-15 BMatP= 2.73D-15 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.100D+01 Coeff: 0.100D+01 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=2.29D-09 MaxDP=4.49D-08 OVMax= 1.54D-07 SCF Done: E(RB+HF-LYP) = -1682.74648905 A.U. after 1 cycles Convg = 0.2291D-08 -V/T = 2.4864 S**2 = 0.0000 KE= 1.132122226391D+03 PE=-8.333472504988D+03 EE= 3.406697754890D+03 Leave Link 502 at Sat Apr 12 10:11:12 2008, MaxMem= 12582912 cpu: 23.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.15978891D+02 **** Warning!!: The smallest alpha delta epsilon is 0.76620461D-01 Leave Link 801 at Sat Apr 12 10:11:13 2008, MaxMem= 12582912 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2735 LenP2D= 11351. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Number of processors reduced to 3 by ecpmxn. Leave Link 1101 at Sat Apr 12 10:11:20 2008, MaxMem= 12582912 cpu: 20.5 (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 10:11:20 2008, MaxMem= 12582912 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 12582830. G2DrvN: will do 11 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 Sat Apr 12 10:12:42 2008, MaxMem= 12582912 cpu: 276.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: Closed-shell wavefunction. DoAtom=TTTTTTTTTT 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= 12582820 using IRadAn= 2. Generate precomputed XC quadrature information. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 33 IRICut= 33 DoRegI=T DoRafI=T ISym2E= 0 JSym2E=0. There are 33 degrees of freedom in the 1st order CPHF. 30 vectors were produced by pass 0. AX will form 30 AO Fock derivatives at one time. 30 vectors were produced by pass 1. 30 vectors were produced by pass 2. 30 vectors were produced by pass 3. 30 vectors were produced by pass 4. 30 vectors were produced by pass 5. 30 vectors were produced by pass 6. 15 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. Inv2: IOpt= 1 Iter= 1 AM= 2.22D-15 Conv= 1.00D-12. Inverted reduced A of dimension 231 with in-core refinement. FullF1: Do perturbations 1 to 33. Isotropic polarizability for W= 0.000000 298.10 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sat Apr 12 10:16:56 2008, MaxMem= 12582912 cpu: 893.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27411 -10.35428 -4.34375 -4.30933 -4.29639 Alpha occ. eigenvalues -- -4.29430 -4.28933 -4.28802 -4.28738 -4.28696 Alpha occ. eigenvalues -- -2.85534 -2.84780 -2.84672 -2.81851 -2.81607 Alpha occ. eigenvalues -- -2.81433 -2.80478 -2.80381 -2.80280 -2.80196 Alpha occ. eigenvalues -- -2.80165 -2.80006 -2.79781 -2.79745 -2.79690 Alpha occ. eigenvalues -- -2.79654 -2.79549 -2.79528 -2.79473 -2.79464 Alpha occ. eigenvalues -- -2.79388 -2.79379 -2.79307 -2.79276 -1.19046 Alpha occ. eigenvalues -- -0.58944 -0.48623 -0.48596 -0.47709 -0.36396 Alpha occ. eigenvalues -- -0.34078 -0.33414 -0.32671 -0.32393 -0.32241 Alpha occ. eigenvalues -- -0.32174 -0.31518 -0.31325 -0.30804 -0.30140 Alpha occ. eigenvalues -- -0.29755 -0.29453 -0.29217 -0.29103 -0.28803 Alpha occ. eigenvalues -- -0.28540 -0.28353 -0.28121 -0.27848 -0.27663 Alpha occ. eigenvalues -- -0.27540 -0.27123 -0.26982 -0.26740 -0.26529 Alpha occ. eigenvalues -- -0.26513 -0.26357 -0.26311 -0.26220 -0.26061 Alpha occ. eigenvalues -- -0.25952 -0.25859 -0.25749 -0.25666 -0.25440 Alpha occ. eigenvalues -- -0.25340 -0.25156 -0.25068 -0.24940 -0.24696 Alpha occ. eigenvalues -- -0.22022 -0.19551 -0.17704 Alpha virt. eigenvalues -- -0.10042 -0.08849 -0.08178 -0.07484 -0.05765 Alpha virt. eigenvalues -- -0.04991 -0.03818 -0.02482 -0.01851 -0.00348 Alpha virt. eigenvalues -- 0.00349 0.01709 0.01819 0.02573 0.02993 Alpha virt. eigenvalues -- 0.03391 0.03596 0.04058 0.04143 0.04411 Alpha virt. eigenvalues -- 0.04890 0.05361 0.05578 0.05684 0.06340 Alpha virt. eigenvalues -- 0.07223 0.07683 0.07830 0.08196 0.08368 Alpha virt. eigenvalues -- 0.08453 0.08762 0.08988 0.09490 0.10253 Alpha virt. eigenvalues -- 0.10380 0.10641 0.12663 0.14263 0.15113 Alpha virt. eigenvalues -- 0.17472 0.18474 0.19840 0.20503 0.22147 Alpha virt. eigenvalues -- 0.24202 0.25582 0.26913 0.26988 0.27995 Alpha virt. eigenvalues -- 0.29351 0.30303 0.31203 0.33141 0.33637 Alpha virt. eigenvalues -- 0.38706 0.41188 0.53429 0.62043 0.64335 Alpha virt. eigenvalues -- 0.64668 0.65533 0.66973 0.67933 0.71014 Alpha virt. eigenvalues -- 0.72095 0.73992 0.74648 0.75095 0.77018 Alpha virt. eigenvalues -- 0.78431 0.78707 0.80472 0.83430 0.84999 Alpha virt. eigenvalues -- 0.85916 0.86797 0.88100 0.89653 0.92902 Alpha virt. eigenvalues -- 0.96227 0.97733 0.99882 1.03462 1.03965 Alpha virt. eigenvalues -- 1.04651 1.06222 1.08739 1.11117 1.13641 Alpha virt. eigenvalues -- 1.18587 1.23475 1.24434 1.26938 1.27359 Alpha virt. eigenvalues -- 1.29437 1.30052 1.30809 1.32597 1.33153 Alpha virt. eigenvalues -- 1.34633 1.37914 1.61211 1.62791 1.85521 Alpha virt. eigenvalues -- 1.87851 1.99217 2.05914 3.09999 4.17435 Alpha virt. eigenvalues -- 10.44262 Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.27411 -10.35428 -4.34375 -4.30933 -4.29639 1 1 Cu 1S -0.00005 0.00047 0.00090 1.00111 -0.00769 2 2S -0.00007 0.00074 -0.00128 0.00747 -0.00139 3 3S -0.00077 0.00457 -0.00428 0.01636 0.00078 4 4PX 0.00000 0.00001 -0.00001 0.00048 0.00010 5 4PY 0.00000 -0.00001 0.00013 0.00136 0.00006 6 4PZ 0.00000 0.00000 0.00001 -0.00041 0.00009 7 5PX 0.00002 -0.00019 -0.00012 -0.00395 0.00087 8 5PY 0.00012 -0.00202 0.00331 -0.00346 0.00038 9 5PZ -0.00001 -0.00028 0.00064 0.00058 0.00045 10 6PX -0.00046 -0.00175 0.00317 -0.00367 -0.00010 11 6PY 0.00078 0.00084 -0.00172 -0.00298 0.00012 12 6PZ -0.00030 0.00117 0.00051 0.00174 -0.00043 13 7D 0 0.00000 0.00001 0.00001 0.00061 -0.00001 14 7D+1 0.00000 0.00000 0.00000 -0.00003 -0.00004 15 7D-1 0.00000 0.00000 -0.00001 0.00038 -0.00004 16 7D+2 0.00000 0.00002 0.00004 -0.00015 -0.00002 17 7D-2 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0.00576 -0.00197 29 5PX 0.00183 0.00632 0.00261 -0.00274 -0.00282 30 5PY 0.00414 -0.01324 0.00036 -0.00023 0.00042 31 5PZ -0.00306 -0.00578 0.00267 0.00170 0.00145 32 6PX -0.00148 0.00579 0.00114 0.00188 0.00993 33 6PY -0.00383 0.00472 0.00027 0.00080 -0.00172 34 6PZ 0.00079 -0.00367 0.00139 -0.00408 -0.00579 35 7D 0 0.00005 0.00001 0.00015 -0.00004 -0.00013 36 7D+1 0.00016 -0.00006 0.00005 0.00011 -0.00001 37 7D-1 -0.00015 0.00001 0.00016 0.00027 -0.00003 38 7D+2 -0.00014 0.00006 -0.00004 0.00007 -0.00002 39 7D-2 0.00024 -0.00005 0.00003 -0.00011 -0.00006 40 8D 0 -0.00047 -0.00016 -0.00086 0.00021 0.00068 41 8D+1 -0.00079 0.00038 -0.00036 -0.00058 0.00002 42 8D-1 0.00076 -0.00019 -0.00078 -0.00136 0.00025 43 8D+2 0.00083 -0.00029 0.00016 -0.00024 0.00019 44 8D-2 -0.00149 0.00039 -0.00021 0.00056 0.00031 45 3 Cu 1S 0.00014 0.00047 -0.00072 0.00189 0.00082 46 2S 0.00003 0.00067 -0.00091 -0.00601 0.00025 47 3S 0.00495 0.00836 -0.01424 0.05824 0.02543 48 4PX 0.00994 0.00127 0.01528 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-0.00200 -0.00066 -0.00116 69 3S -0.00362 -0.01462 -0.00526 -0.01439 -0.00184 70 4PX -0.08828 0.00313 -0.00338 -0.06226 -0.00759 71 4PY -0.06393 -0.01261 -0.00299 -0.00664 -0.00308 72 4PZ 0.11193 -0.04146 -0.00169 0.01243 0.00108 73 5PX -0.00350 0.00044 -0.00115 -0.00572 -0.00253 74 5PY -0.00072 -0.00109 -0.00050 -0.00055 -0.00013 75 5PZ 0.00034 -0.00587 -0.00173 0.00114 0.00068 76 6PX 0.00817 0.00400 -0.00494 0.00301 0.01036 77 6PY 0.00184 0.00378 -0.00037 -0.00226 -0.00235 78 6PZ -0.00307 -0.00445 0.00174 -0.00469 -0.01259 79 7D 0 -0.00011 0.00010 0.00004 0.00007 0.00002 80 7D+1 0.00010 0.00001 0.00006 0.00019 0.00006 81 7D-1 0.00007 0.00006 0.00002 0.00002 0.00003 82 7D+2 0.00002 0.00002 0.00003 -0.00021 -0.00004 83 7D-2 0.00004 0.00003 0.00003 -0.00004 0.00002 84 8D 0 -0.00133 -0.00019 -0.00030 -0.00050 -0.00002 85 8D+1 -0.00015 -0.00006 -0.00041 -0.00044 -0.00028 86 8D-1 0.00059 -0.00052 -0.00010 -0.00007 -0.00012 87 8D+2 0.00015 -0.00014 -0.00015 0.00118 0.00013 88 8D-2 0.00015 -0.00016 -0.00020 0.00032 -0.00004 89 5 Cu 1S -0.00163 -0.00127 -0.00235 0.00056 0.00112 90 2S -0.00105 -0.00170 0.00503 0.00149 0.00009 91 3S 0.00540 -0.00009 -0.05338 0.00317 0.00272 92 4PX -0.11525 -0.10708 0.41263 0.00717 0.11627 93 4PY 0.00930 0.04398 -0.31580 0.00883 -0.20235 94 4PZ -0.09243 -0.09736 0.81999 0.04795 -0.23955 95 5PX -0.00117 0.00080 0.01383 0.00136 0.00240 96 5PY 0.00222 0.00182 -0.00928 0.00057 -0.00183 97 5PZ -0.00534 -0.00351 0.02578 -0.00142 -0.00541 98 6PX -0.00380 0.00168 0.00084 0.00049 -0.00326 99 6PY -0.00686 -0.00062 -0.00081 -0.00476 0.00267 100 6PZ 0.00318 0.00087 0.00244 -0.00556 0.00330 101 7D 0 -0.00012 -0.00015 0.00171 0.00005 -0.00079 102 7D+1 -0.00074 -0.00050 0.00183 0.00010 -0.00004 103 7D-1 0.00005 0.00011 -0.00102 0.00001 -0.00032 104 7D+2 -0.00042 -0.00021 0.00027 0.00001 0.00000 105 7D-2 0.00009 0.00013 -0.00063 0.00002 -0.00039 106 8D 0 -0.00026 -0.00005 -0.00022 0.00040 0.00021 107 8D+1 0.00229 0.00083 0.00032 -0.00020 0.00006 108 8D-1 -0.00010 0.00041 -0.00024 -0.00003 -0.00028 109 8D+2 0.00185 0.00057 0.00059 -0.00002 0.00018 110 8D-2 -0.00026 0.00009 0.00054 -0.00009 0.00036 111 6 Cu 1S 0.00101 -0.00183 -0.00102 0.00064 0.00126 112 2S 0.00029 -0.00159 -0.00158 0.00120 0.00189 113 3S 0.00241 -0.00443 -0.00318 0.00578 -0.00537 114 4PX -0.01239 0.03591 0.00447 0.01925 -0.16028 115 4PY 0.04817 -0.06941 -0.00693 -0.00700 0.07155 116 4PZ -0.01928 0.03374 -0.00008 0.01863 -0.14877 117 5PX -0.00191 0.00262 -0.00026 0.00300 -0.00279 118 5PY 0.00088 0.00211 0.00081 -0.00093 0.00451 119 5PZ 0.00000 -0.00109 0.00000 -0.00057 -0.00182 120 6PX 0.00758 -0.00312 0.00061 0.00024 -0.00227 121 6PY 0.00228 -0.00077 0.00511 -0.00402 -0.00536 122 6PZ -0.00215 0.00022 -0.00045 -0.00579 -0.00255 123 7D 0 -0.00017 0.00014 0.00000 0.00001 0.00001 124 7D+1 0.00011 -0.00014 -0.00003 -0.00002 0.00056 125 7D-1 -0.00023 0.00025 -0.00001 0.00001 -0.00025 126 7D+2 -0.00028 0.00023 0.00000 -0.00007 0.00025 127 7D-2 -0.00025 0.00026 -0.00002 0.00010 -0.00033 128 8D 0 0.00080 -0.00041 0.00003 0.00008 -0.00080 129 8D+1 -0.00051 0.00032 0.00016 -0.00011 -0.00143 130 8D-1 0.00103 -0.00073 0.00010 0.00011 -0.00005 131 8D+2 0.00125 -0.00105 0.00001 0.00029 -0.00042 132 8D-2 0.00108 -0.00035 0.00025 -0.00036 0.00000 133 7 Cu 1S 0.00025 -0.00178 0.00172 0.00079 0.00020 134 2S -0.00144 -0.00287 0.00012 0.00127 0.00000 135 3S 0.01532 0.06023 0.02528 0.00387 0.01367 136 4PX 0.80591 0.46773 0.17665 0.00787 0.01031 137 4PY -0.46430 0.85942 0.06780 -0.00438 0.05313 138 4PZ 0.28119 0.02853 0.06185 0.00168 0.00629 139 5PX 0.02074 0.02176 0.00836 0.00190 0.00176 140 5PY -0.00901 0.02604 0.00282 0.00049 0.00753 141 5PZ 0.00335 -0.00588 0.00283 -0.00074 0.00236 142 6PX -0.01586 0.00623 0.00271 0.00194 0.00173 143 6PY 0.01304 -0.01197 0.00404 -0.00436 -0.00908 144 6PZ -0.01234 -0.01376 0.00391 -0.00706 -0.01183 145 7D 0 0.00111 0.00054 0.00017 0.00001 0.00004 146 7D+1 0.00089 0.00072 0.00043 0.00006 0.00000 147 7D-1 -0.00058 0.00129 0.00016 0.00001 0.00000 148 7D+2 -0.00107 -0.00081 0.00003 -0.00001 -0.00002 149 7D-2 0.00071 -0.00140 -0.00007 -0.00004 -0.00017 150 8D 0 0.00066 -0.00073 0.00038 0.00002 -0.00023 151 8D+1 -0.00017 -0.00013 -0.00161 -0.00036 0.00016 152 8D-1 -0.00034 0.00011 -0.00017 -0.00011 0.00058 153 8D+2 0.00027 0.00013 -0.00170 0.00003 -0.00029 154 8D-2 0.00038 0.00067 -0.00001 0.00029 0.00087 155 8 Cu 1S -0.00020 -0.00126 0.00105 -0.00002 -0.00036 156 2S -0.00030 -0.00201 0.00161 -0.00146 0.00560 157 3S -0.00187 -0.01731 0.00601 -0.00665 -0.05028 158 4PX 0.00327 -0.00635 -0.03386 0.02760 -0.11899 159 4PY -0.00298 -0.03178 0.07025 -0.06601 0.41799 160 4PZ 0.00199 -0.02887 0.06355 -0.13084 0.78087 161 5PX 0.00036 0.00338 0.00150 0.00063 -0.00253 162 5PY 0.00073 0.00676 -0.00090 -0.00064 0.01469 163 5PZ 0.00049 0.00223 0.00190 -0.00152 0.02282 164 6PX 0.00080 -0.00641 0.00372 -0.00632 -0.00909 165 6PY -0.00097 -0.00224 0.00025 -0.00479 -0.00229 166 6PZ 0.00097 0.00482 0.00032 0.00217 -0.00326 167 7D 0 0.00003 -0.00008 0.00007 -0.00019 0.00169 168 7D+1 -0.00001 -0.00001 -0.00005 -0.00004 -0.00020 169 7D-1 0.00000 -0.00002 0.00018 -0.00015 0.00166 170 7D+2 -0.00004 -0.00001 -0.00015 0.00006 -0.00046 171 7D-2 -0.00001 0.00009 -0.00009 -0.00003 -0.00012 172 8D 0 -0.00009 0.00029 0.00024 -0.00073 0.00040 173 8D+1 0.00018 -0.00010 -0.00036 0.00081 -0.00093 174 8D-1 -0.00002 -0.00083 0.00039 -0.00075 -0.00056 175 8D+2 0.00040 0.00059 0.00040 -0.00001 0.00055 176 8D-2 0.00012 -0.00081 0.00019 0.00036 0.00010 177 9 C 1S -0.00005 0.00009 0.00002 -0.00003 -0.00003 178 2S -0.00057 0.00148 0.00021 -0.00011 -0.00023 179 3S 0.00384 -0.00863 -0.00199 0.00258 0.00227 180 4PX -0.00015 0.00010 0.00002 -0.00001 -0.00003 181 4PY -0.00008 0.00015 -0.00007 0.00030 0.00029 182 4PZ 0.00004 -0.00008 -0.00008 -0.00019 0.00013 183 5PX -0.00064 0.00082 -0.00081 0.00032 0.00056 184 5PY -0.00152 -0.00411 0.00070 -0.00129 -0.00021 185 5PZ 0.00099 -0.00033 -0.00047 0.00093 -0.00030 186 10 O 1S 0.00002 0.00000 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-0.00943 11 6PY 0.00580 0.01231 0.01209 0.01949 0.01063 12 6PZ 0.01600 0.03729 0.00934 0.02713 0.00852 13 7D 0 0.00011 0.00030 -0.00004 -0.00024 -0.00004 14 7D+1 -0.00010 -0.00011 -0.00005 0.00018 -0.00010 15 7D-1 0.00005 0.00000 0.00031 -0.00026 0.00010 16 7D+2 0.00007 -0.00028 0.00005 0.00002 0.00015 17 7D-2 -0.00007 0.00012 0.00004 0.00008 -0.00013 18 8D 0 -0.00116 -0.00175 0.00009 0.00162 0.00019 19 8D+1 0.00080 0.00099 0.00016 -0.00114 0.00097 20 8D-1 -0.00045 -0.00024 -0.00203 0.00207 -0.00074 21 8D+2 -0.00054 0.00145 -0.00048 -0.00031 -0.00084 22 8D-2 0.00027 -0.00048 -0.00008 -0.00056 0.00086 23 2 Cu 1S 0.00033 0.00064 0.00062 -0.00010 -0.00021 24 2S -0.00082 0.00114 0.00051 -0.00087 -0.00064 25 3S 0.01100 0.00410 0.00208 0.00759 -0.00704 26 4PX 0.00085 0.00011 -0.00018 0.00089 0.00014 27 4PY 0.00243 0.00022 0.00066 0.00209 0.00036 28 4PZ 0.00630 -0.00013 0.00242 -0.00354 0.00025 29 5PX 0.00443 0.00006 -0.00079 -0.00090 0.00045 30 5PY -0.00675 0.00145 -0.00102 -0.00013 -0.00376 31 5PZ -0.00036 -0.00026 0.00188 0.00070 0.00043 32 6PX -0.00688 0.00700 0.00123 0.00593 0.00084 33 6PY 0.00540 0.00273 0.00392 0.00517 -0.00101 34 6PZ -0.01013 -0.00881 -0.00527 -0.00262 0.00254 35 7D 0 0.00021 0.00003 0.00008 0.00003 0.00000 36 7D+1 0.00001 0.00000 0.00003 -0.00006 0.00002 37 7D-1 0.00029 -0.00001 0.00009 -0.00020 0.00001 38 7D+2 -0.00004 0.00002 0.00002 -0.00004 -0.00004 39 7D-2 0.00003 0.00004 0.00005 0.00011 -0.00001 40 8D 0 -0.00107 -0.00023 -0.00030 0.00013 0.00006 41 8D+1 0.00017 0.00006 -0.00033 0.00032 -0.00011 42 8D-1 -0.00164 0.00010 -0.00060 0.00098 -0.00005 43 8D+2 0.00015 -0.00019 -0.00002 0.00040 0.00028 44 8D-2 -0.00013 -0.00027 -0.00040 -0.00065 0.00003 45 3 Cu 1S -0.00026 0.00050 0.00084 0.00050 -0.00044 46 2S -0.00058 0.00081 0.00144 -0.00042 -0.00084 47 3S -0.00254 0.01606 0.01404 0.00413 -0.00494 48 4PX -0.01764 -0.01065 -0.00774 0.48171 0.04299 49 4PY -0.00673 -0.01021 -0.00078 0.77671 0.08021 50 4PZ 0.01517 0.00992 -0.00292 0.38415 0.04084 51 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8D-1 0.00028 0.00007 -0.00001 -0.00051 0.03383 175 8D+2 -0.00006 -0.00002 -0.00002 0.00003 -0.01408 176 8D-2 -0.00001 -0.00003 -0.00007 0.00000 -0.00553 177 9 C 1S -0.16308 -0.01786 0.00675 -0.08635 0.02758 178 2S 0.38898 0.03136 -0.01216 0.16151 -0.05747 179 3S 0.28504 0.06021 -0.02213 0.25422 -0.10014 180 4PX -0.00065 -0.16872 0.37257 -0.04249 0.02183 181 4PY -0.02254 0.02437 0.01376 0.49193 -0.09198 182 4PZ 0.00285 0.37536 0.16129 0.00589 -0.01257 183 5PX -0.01768 -0.02331 0.05900 0.00686 0.00999 184 5PY 0.07356 -0.00968 0.00807 0.01523 -0.03603 185 5PZ 0.01066 0.05494 0.02587 -0.00759 -0.00105 186 10 O 1S 0.12613 -0.00850 0.00319 -0.02930 -0.00170 187 2S -0.28559 0.01561 -0.00590 0.04868 0.01009 188 3S -0.37698 0.04274 -0.01594 0.16523 -0.01532 189 4PX -0.09663 -0.20042 0.55213 0.18844 -0.01750 190 4PY 0.42140 -0.22405 0.11985 -0.34203 0.05502 191 4PZ 0.06671 0.53694 0.26391 -0.16657 -0.00042 192 5PX -0.02414 -0.07900 0.20983 0.05614 -0.00684 193 5PY 0.10459 -0.06738 0.03877 -0.05334 0.01489 194 5PZ 0.01706 0.20507 0.09923 -0.05358 -0.00333 41 42 43 44 45 O O O O O EIGENVALUES -- -0.34078 -0.33414 -0.32671 -0.32393 -0.32241 1 1 Cu 1S -0.00041 0.00066 -0.00226 0.00089 -0.00113 2 2S -0.00262 0.07847 -0.02141 0.03648 -0.01738 3 3S 0.04117 0.02625 -0.15589 0.15869 -0.05196 4 4PX 0.00681 -0.00767 -0.01228 -0.00015 0.00710 5 4PY -0.00140 0.00270 0.01398 0.01962 -0.01160 6 4PZ -0.02480 -0.00920 0.00669 0.00622 -0.00188 7 5PX -0.01650 -0.01159 0.00091 -0.00672 0.00628 8 5PY 0.01597 -0.04516 0.04470 -0.03812 0.00420 9 5PZ 0.03015 -0.00032 -0.01467 -0.01137 0.00661 10 6PX -0.02917 -0.06182 -0.01533 -0.00025 0.03008 11 6PY 0.02928 0.04883 0.05142 0.02635 -0.05153 12 6PZ 0.00665 0.05410 0.00251 -0.04761 -0.03886 13 7D 0 -0.05557 0.11966 0.07112 -0.22451 0.00900 14 7D+1 -0.07278 -0.14817 0.12922 0.18694 0.05442 15 7D-1 -0.30758 0.01510 -0.02595 -0.06607 -0.06961 16 7D+2 0.05191 -0.07733 -0.26869 -0.20531 0.23017 17 7D-2 0.04574 -0.23315 0.12703 0.09240 -0.04549 18 8D 0 -0.01936 0.03957 0.02494 -0.07614 0.00241 19 8D+1 -0.02517 -0.04993 0.04474 0.06322 0.01730 20 8D-1 -0.10513 0.00534 -0.00751 -0.02274 -0.02475 21 8D+2 0.01798 -0.02517 -0.08811 -0.06722 0.07510 22 8D-2 0.01483 -0.07779 0.04367 0.03071 -0.01517 23 2 Cu 1S 0.00033 0.00012 -0.00133 0.00038 -0.00018 24 2S -0.01857 0.00665 0.09073 -0.02611 0.01963 25 3S -0.04656 -0.02321 0.15499 0.15211 -0.14379 26 4PX 0.00322 -0.01158 0.00772 0.00933 -0.00670 27 4PY 0.00335 0.00204 -0.02397 -0.02996 0.02434 28 4PZ -0.01702 -0.00016 -0.00369 -0.00902 0.00670 29 5PX 0.01128 0.00044 -0.07992 -0.03395 0.04323 30 5PY -0.03111 -0.03111 0.15353 0.11536 -0.11918 31 5PZ -0.00612 -0.01667 0.02509 0.03526 -0.03230 32 6PX 0.01467 0.00993 -0.03925 0.01889 0.01331 33 6PY -0.00380 0.01581 -0.02999 0.02793 -0.01147 34 6PZ 0.01636 0.00671 0.00664 0.01504 -0.01612 35 7D 0 0.14127 0.14826 0.51200 -0.22679 0.42363 36 7D+1 -0.15160 -0.02289 -0.11604 0.40003 0.56432 37 7D-1 0.57190 0.09798 -0.03096 0.26906 -0.02447 38 7D+2 0.16815 -0.31985 -0.14161 -0.33477 0.06117 39 7D-2 -0.04127 0.54761 -0.15078 0.07406 -0.04468 40 8D 0 0.04659 0.04752 0.16332 -0.07446 0.13650 41 8D+1 -0.05033 -0.00549 -0.03803 0.12549 0.17823 42 8D-1 0.18881 0.03201 -0.00854 0.08788 -0.00927 43 8D+2 0.05466 -0.10293 -0.04512 -0.11283 0.02253 44 8D-2 -0.01294 0.17972 -0.05150 0.02245 -0.00953 45 3 Cu 1S 0.00343 0.00132 -0.00162 -0.00459 0.00121 46 2S -0.08571 0.05524 0.05248 -0.04648 -0.00363 47 3S 0.00209 0.12789 0.06882 -0.21052 -0.03376 48 4PX -0.01471 0.00203 0.01101 -0.00047 0.00323 49 4PY -0.00433 -0.00092 0.00898 -0.00412 0.00101 50 4PZ 0.01643 -0.01251 -0.00431 0.00520 0.00678 51 5PX 0.02970 -0.03288 -0.03462 0.02624 -0.00176 52 5PY 0.01365 0.00019 -0.02319 0.01882 -0.00320 53 5PZ -0.03309 0.04201 0.00689 -0.04935 -0.01162 54 6PX -0.00126 0.00438 0.02520 0.02137 -0.00837 55 6PY -0.00672 0.01127 -0.00655 -0.01520 0.00867 56 6PZ 0.04586 0.00981 0.00559 -0.02533 0.00272 57 7D 0 -0.06424 0.09875 -0.06531 0.01432 -0.11081 58 7D+1 0.14069 -0.02608 -0.10774 -0.01256 0.03124 59 7D-1 0.05642 0.00472 -0.08228 0.00488 0.03754 60 7D+2 -0.06253 -0.02787 0.01997 0.08781 0.01378 61 7D-2 -0.03910 -0.01056 0.06482 -0.00044 0.05626 62 8D 0 -0.02400 0.03425 -0.02526 0.00684 -0.03896 63 8D+1 0.05283 -0.00991 -0.04055 -0.00482 0.01108 64 8D-1 0.02035 0.00083 -0.02703 0.00345 0.01406 65 8D+2 -0.02492 -0.00787 0.00580 0.02980 0.00458 66 8D-2 -0.01470 -0.00359 0.02354 -0.00006 0.02271 67 4 Cu 1S -0.00061 -0.00077 0.00023 -0.00163 0.00282 68 2S -0.05886 -0.07761 0.01311 0.03068 0.06477 69 3S -0.14541 -0.19000 -0.01198 0.09300 0.15078 70 4PX 0.01833 0.00446 -0.01299 -0.00511 -0.00159 71 4PY -0.00256 -0.00538 0.00732 -0.00087 -0.00080 72 4PZ 0.00101 0.01748 0.00669 -0.00816 -0.00352 73 5PX -0.03877 -0.05319 -0.00338 0.01536 0.04359 74 5PY 0.00332 -0.00527 0.01465 0.01149 -0.03036 75 5PZ -0.04853 -0.06116 -0.01029 0.02074 0.02786 76 6PX 0.07126 0.03194 -0.02448 0.00587 0.00350 77 6PY -0.02451 -0.03965 0.03287 -0.00944 -0.00641 78 6PZ -0.05663 -0.00589 0.00391 -0.01232 0.03091 79 7D 0 0.10299 -0.11892 -0.13127 0.07444 -0.03627 80 7D+1 -0.06562 -0.09361 0.04314 0.10877 -0.08976 81 7D-1 0.02368 0.07558 -0.06539 0.00641 0.10466 82 7D+2 -0.12105 0.02987 0.13543 0.02987 -0.07796 83 7D-2 0.03656 0.05640 -0.05844 0.00817 -0.08517 84 8D 0 0.03257 -0.04317 -0.04537 0.02647 -0.01347 85 8D+1 -0.02424 -0.03416 0.01265 0.03747 -0.03058 86 8D-1 0.00726 0.02435 -0.01926 0.00398 0.03635 87 8D+2 -0.04347 0.00850 0.04666 0.01065 -0.02645 88 8D-2 0.01302 0.01888 -0.01985 0.00269 -0.03112 89 5 Cu 1S -0.00310 0.00018 0.00075 -0.00171 0.00418 90 2S 0.09491 0.06692 0.06618 -0.00661 0.02535 91 3S 0.09144 0.09381 0.13947 -0.04227 0.12723 92 4PX 0.01209 0.00267 0.00469 -0.00638 -0.00343 93 4PY -0.00312 -0.00649 0.00823 0.00146 0.00343 94 4PZ 0.01822 0.01087 0.01433 0.00651 0.00048 95 5PX -0.02722 -0.02464 -0.03130 0.00945 0.00635 96 5PY 0.02147 0.00275 0.00108 0.01133 -0.02635 97 5PZ -0.05402 -0.04763 -0.04358 0.01395 -0.03260 98 6PX -0.00477 -0.00259 0.00369 -0.00954 -0.03310 99 6PY 0.02410 0.00389 0.01072 0.01820 0.01020 100 6PZ 0.03796 0.00690 -0.00239 0.02923 -0.02430 101 7D 0 0.09341 0.04625 0.10802 0.17567 -0.03135 102 7D+1 0.10288 -0.00433 0.08694 -0.04738 -0.08992 103 7D-1 0.00245 -0.02850 0.09941 -0.01177 0.08080 104 7D+2 0.02602 -0.02832 -0.01933 0.03744 -0.05220 105 7D-2 -0.01597 -0.03295 0.06560 0.01373 -0.03547 106 8D 0 0.03511 0.01775 0.03470 0.06057 -0.01122 107 8D+1 0.03835 0.00039 0.03325 -0.01814 -0.03354 108 8D-1 -0.00051 -0.01031 0.03286 -0.00576 0.02969 109 8D+2 0.00986 -0.00850 -0.00899 0.01356 -0.01800 110 8D-2 -0.00723 -0.01177 0.02263 0.00355 -0.01248 111 6 Cu 1S -0.00142 0.00184 0.00387 -0.00008 0.00028 112 2S 0.02565 0.01493 -0.08758 -0.03020 0.06722 113 3S 0.01778 0.06973 -0.06243 -0.06247 0.08831 114 4PX -0.00290 -0.00528 0.01583 0.00269 -0.00695 115 4PY 0.00494 -0.00392 -0.01139 -0.00332 0.01010 116 4PZ -0.00379 -0.00522 0.00574 0.00688 0.00264 117 5PX 0.00775 0.01580 -0.05040 -0.01494 0.02777 118 5PY -0.00141 -0.01743 0.03700 0.03026 -0.03796 119 5PZ 0.00025 -0.00752 -0.00924 -0.01003 -0.00837 120 6PX -0.01174 -0.01455 0.03699 -0.01874 -0.00142 121 6PY -0.01697 -0.04793 -0.02165 -0.00004 0.01728 122 6PZ -0.02143 -0.04389 0.02123 0.01743 0.02166 123 7D 0 -0.01047 0.00492 0.05238 -0.02115 -0.01418 124 7D+1 0.01396 0.05274 -0.06143 -0.06977 -0.00601 125 7D-1 -0.02827 -0.02944 0.02361 0.05563 0.04797 126 7D+2 -0.01559 0.06542 -0.03038 -0.00626 -0.03113 127 7D-2 -0.02977 0.01931 0.12028 0.00258 -0.07336 128 8D 0 -0.00296 0.00042 0.01957 -0.00788 -0.00554 129 8D+1 0.00328 0.01685 -0.02227 -0.02451 -0.00135 130 8D-1 -0.00900 -0.00986 0.00865 0.01980 0.01722 131 8D+2 -0.00514 0.02142 -0.00978 -0.00144 -0.01163 132 8D-2 -0.01103 0.00650 0.04611 0.00257 -0.02774 133 7 Cu 1S -0.00145 -0.00044 -0.00195 -0.00420 -0.00031 134 2S 0.09270 -0.05038 -0.01290 -0.02948 -0.00775 135 3S 0.18406 -0.12283 -0.13951 -0.09900 -0.09402 136 4PX -0.01895 0.00446 -0.00960 0.00070 0.00973 137 4PY -0.00622 -0.00331 0.01600 -0.00133 -0.01010 138 4PZ -0.00085 -0.01851 -0.00512 0.00666 -0.00038 139 5PX 0.06354 -0.04635 -0.03331 -0.03654 -0.01166 140 5PY 0.03593 -0.02508 0.00010 0.02778 0.00208 141 5PZ -0.04181 0.02078 0.02249 0.01262 0.00672 142 6PX -0.02904 -0.00184 -0.03695 -0.01567 0.00435 143 6PY 0.00692 -0.03992 0.03418 -0.02087 -0.01722 144 6PZ -0.04996 -0.04835 -0.01461 0.02210 0.01475 145 7D 0 -0.09590 -0.12318 -0.05924 0.08304 0.04529 146 7D+1 0.01509 0.16387 -0.00041 -0.09634 0.09674 147 7D-1 0.00400 0.01164 0.03563 -0.08694 -0.09018 148 7D+2 0.08039 -0.02655 0.21450 0.10181 -0.13518 149 7D-2 0.00403 0.05693 -0.11244 0.08585 0.06116 150 8D 0 -0.03259 -0.04181 -0.02159 0.02829 0.01561 151 8D+1 0.00249 0.05610 0.00262 -0.03349 0.03193 152 8D-1 0.00026 0.00507 0.00943 -0.02969 -0.02992 153 8D+2 0.02826 -0.00937 0.07180 0.03478 -0.04425 154 8D-2 0.00336 0.01597 -0.03816 0.02953 0.01956 155 8 Cu 1S -0.00459 -0.00231 0.00320 0.00024 -0.00069 156 2S 0.01934 0.06830 -0.05188 -0.06159 0.01995 157 3S -0.13215 0.03297 -0.01662 -0.02072 0.00218 158 4PX 0.00323 -0.00303 -0.00598 -0.00065 0.00269 159 4PY 0.00694 0.00894 -0.00545 -0.00949 0.00299 160 4PZ -0.00023 0.01214 -0.01161 -0.00887 0.00060 161 5PX -0.01299 -0.00093 0.00774 -0.00322 -0.00322 162 5PY 0.01925 -0.02907 0.02356 0.03450 -0.01419 163 5PZ 0.02542 -0.03962 0.01689 0.01848 0.00523 164 6PX -0.01697 -0.03657 -0.00824 -0.00201 0.02450 165 6PY 0.03251 0.01094 -0.01981 -0.00902 0.01155 166 6PZ 0.00982 0.01170 -0.02153 -0.01364 -0.00175 167 7D 0 -0.03529 0.05641 -0.08052 -0.02568 -0.01103 168 7D+1 0.04758 -0.02198 -0.06107 -0.01249 0.05712 169 7D-1 0.03154 0.06394 -0.08250 -0.09388 0.00506 170 7D+2 -0.04855 -0.02560 0.02368 0.03237 -0.01478 171 7D-2 0.00967 -0.03569 -0.03810 0.02067 -0.00272 172 8D 0 -0.00973 0.02094 -0.02861 -0.00724 -0.00365 173 8D+1 0.01594 -0.00555 -0.02021 -0.00594 0.01989 174 8D-1 0.01134 0.02359 -0.03081 -0.03474 0.00222 175 8D+2 -0.01536 -0.01012 0.01074 0.01251 -0.00590 176 8D-2 0.00278 -0.01144 -0.01315 0.00728 -0.00223 177 9 C 1S 0.00290 -0.00347 0.00883 0.02205 -0.01733 178 2S -0.00348 0.00883 -0.02910 -0.04860 0.04004 179 3S -0.03101 0.00521 0.03161 -0.06782 0.03956 180 4PX 0.00620 -0.03595 0.01011 -0.00822 -0.01397 181 4PY -0.00379 0.00604 -0.02864 -0.07729 0.05631 182 4PZ -0.03003 -0.00658 -0.01483 -0.00691 0.00735 183 5PX 0.00502 -0.02779 0.00695 -0.01724 -0.00423 184 5PY 0.00044 -0.01139 0.02681 -0.01041 -0.00278 185 5PZ -0.03070 -0.00396 -0.00070 -0.00422 -0.00021 186 10 O 1S -0.00053 0.00060 -0.00096 -0.00340 0.00281 187 2S 0.00135 -0.00195 0.00376 0.01177 -0.00963 188 3S 0.00434 -0.00241 -0.00139 0.00513 -0.00491 189 4PX -0.01456 0.09333 -0.01355 0.04431 0.01343 190 4PY -0.00613 0.00622 0.01020 0.06450 -0.04111 191 4PZ 0.08952 0.02052 0.02621 0.00107 -0.00374 192 5PX -0.00843 0.05522 -0.00824 0.02913 0.00670 193 5PY -0.00461 0.00738 -0.00543 0.02232 -0.00974 194 5PZ 0.05407 0.01139 0.01325 0.00081 -0.00051 46 47 48 49 50 O O O O O EIGENVALUES -- -0.32174 -0.31518 -0.31325 -0.30804 -0.30140 1 1 Cu 1S 0.00073 -0.00429 0.00018 0.00278 0.00183 2 2S 0.02753 0.02463 0.05042 0.03313 0.05863 3 3S -0.01405 -0.29399 0.09591 0.04920 0.21810 4 4PX -0.00923 -0.01023 0.00113 0.00689 0.00945 5 4PY 0.00019 0.00632 0.00154 -0.01192 0.00087 6 4PZ -0.01341 0.00613 0.00986 0.00956 -0.00105 7 5PX -0.01621 0.05958 -0.00313 -0.02477 -0.06033 8 5PY 0.00655 0.05335 -0.03153 0.00940 -0.03003 9 5PZ 0.00979 -0.01354 -0.02023 -0.01327 -0.00367 10 6PX 0.02240 0.08375 -0.05118 0.06106 0.05615 11 6PY -0.02619 -0.03905 0.02506 -0.06602 -0.07301 12 6PZ -0.15255 -0.12358 0.05670 0.01014 -0.08222 13 7D 0 0.39618 -0.09247 0.35035 0.01570 -0.10486 14 7D+1 -0.16509 0.09021 0.42514 -0.01178 0.19542 15 7D-1 -0.04126 0.06211 -0.02173 0.44977 -0.22277 16 7D+2 -0.15202 -0.15834 0.11396 0.08755 0.11742 17 7D-2 -0.00286 -0.19937 0.06816 -0.18402 -0.15080 18 8D 0 0.13325 -0.02982 0.11678 0.00432 -0.03573 19 8D+1 -0.05590 0.03102 0.14268 -0.00375 0.06408 20 8D-1 -0.01359 0.02054 -0.00770 0.14723 -0.07490 21 8D+2 -0.04890 -0.05196 0.03516 0.02744 0.03897 22 8D-2 0.00013 -0.06949 0.02214 -0.05934 -0.04709 23 2 Cu 1S -0.00054 -0.00279 -0.00165 0.00127 0.00070 24 2S -0.02603 0.18712 -0.02700 -0.05828 0.01383 25 3S 0.01671 0.29681 -0.18054 0.00213 0.09463 26 4PX 0.00106 0.00530 -0.00307 -0.00239 -0.00315 27 4PY -0.00048 -0.01582 0.01129 -0.00346 -0.00281 28 4PZ -0.00226 0.00127 0.00383 0.00267 -0.00130 29 5PX -0.02164 -0.04258 0.03667 -0.00031 -0.00984 30 5PY 0.01209 0.16124 -0.13181 0.02453 0.01453 31 5PZ -0.00942 0.01382 -0.00592 0.02337 -0.00373 32 6PX -0.06728 0.00129 0.00519 -0.00594 -0.02685 33 6PY 0.00401 -0.00723 -0.00511 -0.01287 -0.00198 34 6PZ -0.00502 0.04764 -0.02635 0.04485 -0.01375 35 7D 0 -0.15459 -0.07721 -0.07571 0.13000 0.01570 36 7D+1 0.32620 0.11741 -0.11077 -0.02199 -0.03830 37 7D-1 0.09527 0.09461 0.11643 0.35065 -0.13501 38 7D+2 0.11432 0.48583 0.09069 -0.01961 -0.00193 39 7D-2 -0.20616 0.29090 0.14000 -0.24318 -0.07396 40 8D 0 -0.05112 -0.02122 -0.02269 0.04112 0.00354 41 8D+1 0.10245 0.03635 -0.03561 -0.00908 -0.01121 42 8D-1 0.02828 0.02978 0.03914 0.11239 -0.04130 43 8D+2 0.03661 0.15479 0.02826 -0.00452 -0.00009 44 8D-2 -0.06785 0.09242 0.04457 -0.07612 -0.02287 45 3 Cu 1S 0.00069 -0.00349 -0.00168 -0.00106 -0.00165 46 2S -0.00138 0.06363 0.03197 0.00454 -0.02076 47 3S -0.04404 -0.07243 0.00019 -0.01549 -0.14174 48 4PX 0.00214 0.00353 0.00797 0.00200 -0.00497 49 4PY -0.01079 0.00759 -0.00497 -0.00486 0.00109 50 4PZ -0.00194 -0.00843 -0.00082 -0.00398 -0.00014 51 5PX -0.00427 0.00797 -0.00656 0.00043 0.03206 52 5PY 0.03732 0.00123 -0.00689 -0.00461 0.00353 53 5PZ 0.00336 -0.00592 0.00462 0.00745 -0.00924 54 6PX -0.00031 -0.02363 0.03661 -0.00821 -0.01099 55 6PY -0.06307 -0.01109 0.00836 -0.00290 -0.00447 56 6PZ -0.00659 -0.01447 -0.00095 -0.03421 -0.03351 57 7D 0 0.01627 0.04950 -0.09040 0.08536 -0.01525 58 7D+1 -0.05815 -0.00326 -0.07926 -0.08206 -0.00587 59 7D-1 0.15583 -0.09735 0.05690 0.14876 -0.07735 60 7D+2 0.02972 0.00257 0.06279 0.06561 -0.08789 61 7D-2 -0.06888 0.01547 -0.13624 -0.07218 0.00145 62 8D 0 0.00390 0.01678 -0.03006 0.02899 -0.00452 63 8D+1 -0.02104 0.00076 -0.02849 -0.02933 -0.00319 64 8D-1 0.05225 -0.03366 0.01784 0.04819 -0.02452 65 8D+2 0.01051 0.00111 0.02090 0.02196 -0.03104 66 8D-2 -0.02471 0.00240 -0.04867 -0.02348 -0.00046 67 4 Cu 1S 0.00252 -0.00171 0.00163 -0.00041 -0.00169 68 2S -0.04864 0.07100 0.08063 -0.01017 -0.04512 69 3S -0.00078 0.02045 0.23841 0.06126 -0.04869 70 4PX -0.00347 -0.00607 -0.00862 -0.00453 -0.00593 71 4PY 0.00909 0.01028 -0.01519 -0.00527 -0.00533 72 4PZ 0.01219 -0.00466 -0.00676 0.00135 0.00842 73 5PX -0.00121 0.00309 0.04862 0.01376 0.00887 74 5PY -0.01247 -0.00268 0.03485 0.00088 0.00802 75 5PZ -0.02518 0.00821 0.06072 0.01689 -0.03224 76 6PX -0.03999 -0.01860 0.00031 -0.00746 -0.03304 77 6PY 0.05480 -0.00072 -0.00312 -0.03492 0.01285 78 6PZ 0.06096 0.02091 0.00667 0.02787 0.02853 79 7D 0 -0.16233 -0.06119 -0.04368 -0.04869 -0.26257 80 7D+1 0.03554 -0.00692 -0.00282 0.09597 0.30717 81 7D-1 -0.19973 -0.15659 0.18126 0.06532 0.09273 82 7D+2 0.03258 -0.05244 0.01369 0.06245 -0.15146 83 7D-2 -0.00204 -0.08050 0.23658 0.11333 0.05364 84 8D 0 -0.05806 -0.02092 -0.01435 -0.01454 -0.08874 85 8D+1 0.01041 -0.00397 0.00063 0.03413 0.10295 86 8D-1 -0.06990 -0.05269 0.06037 0.02110 0.03023 87 8D+2 0.00975 -0.02039 0.00330 0.02181 -0.05311 88 8D-2 0.00107 -0.02517 0.08022 0.03707 0.01976 89 5 Cu 1S -0.00061 -0.00052 0.00336 0.00063 -0.00089 90 2S 0.05561 0.04321 0.02219 -0.07521 -0.00657 91 3S 0.10747 0.02110 0.10699 -0.10113 -0.04332 92 4PX 0.00400 -0.00446 -0.00380 -0.00891 -0.00826 93 4PY -0.01445 0.00735 -0.00951 0.00629 -0.00317 94 4PZ 0.00678 0.00824 0.00079 -0.00800 0.00398 95 5PX -0.02362 0.01086 0.00014 0.02706 0.02975 96 5PY 0.02986 0.00139 0.03150 -0.02408 -0.00106 97 5PZ -0.04079 -0.00279 -0.02355 0.02825 -0.00134 98 6PX 0.03645 -0.02381 -0.00825 -0.02886 -0.01574 99 6PY -0.03729 0.06669 -0.03358 0.02074 -0.02016 100 6PZ -0.00634 0.02693 -0.04153 0.00732 0.02524 101 7D 0 -0.02153 0.10990 -0.04288 0.01203 0.14171 102 7D+1 0.03332 -0.09460 -0.07424 -0.07041 -0.04375 103 7D-1 -0.13595 0.11169 -0.11810 0.14720 -0.10289 104 7D+2 -0.06215 0.00248 -0.10753 -0.03488 -0.10106 105 7D-2 -0.12351 0.06445 0.04829 0.10656 -0.00894 106 8D 0 -0.00619 0.03588 -0.01574 0.00332 0.04944 107 8D+1 0.01443 -0.03530 -0.02625 -0.02527 -0.01371 108 8D-1 -0.04743 0.03730 -0.04072 0.04888 -0.03363 109 8D+2 -0.02000 0.00188 -0.03756 -0.01134 -0.03401 110 8D-2 -0.04572 0.02169 0.01860 0.03921 -0.00216 111 6 Cu 1S -0.00139 0.00278 -0.00148 -0.00002 0.00059 112 2S -0.07904 0.01469 -0.00041 0.02494 0.02080 113 3S -0.17204 0.12159 -0.07220 0.04549 0.06650 114 4PX 0.00813 0.00009 0.00270 -0.00931 -0.01143 115 4PY -0.01489 -0.00294 0.00431 -0.00191 -0.00699 116 4PZ -0.00381 0.00171 0.01081 -0.00316 -0.00098 117 5PX -0.05176 0.02026 -0.01812 0.02066 0.02204 118 5PY 0.04979 -0.00573 0.00410 -0.01688 0.00079 119 5PZ -0.01585 -0.00352 0.00279 0.01796 0.00450 120 6PX 0.01546 0.02808 0.00107 0.00413 0.00462 121 6PY 0.00449 -0.02448 0.03048 0.01108 0.00319 122 6PZ 0.01225 0.00548 0.04331 -0.04325 0.02146 123 7D 0 0.08919 0.02797 -0.01063 -0.05046 0.09412 124 7D+1 0.05168 -0.01992 -0.19906 0.06430 -0.03421 125 7D-1 -0.06233 0.02852 0.09729 0.00114 -0.03353 126 7D+2 0.06702 0.04351 -0.08926 0.14797 0.28713 127 7D-2 0.09838 0.08662 -0.03947 -0.01375 -0.10045 128 8D 0 0.03293 0.01023 -0.00298 -0.01880 0.03412 129 8D+1 0.01603 -0.00782 -0.07012 0.02320 -0.01373 130 8D-1 -0.02163 0.00900 0.03347 -0.00040 -0.01334 131 8D+2 0.02272 0.01618 -0.03076 0.04982 0.09766 132 8D-2 0.03622 0.03159 -0.01318 -0.00569 -0.03563 133 7 Cu 1S 0.00110 -0.00286 -0.00196 -0.00038 -0.00197 134 2S -0.03767 0.03988 -0.02058 -0.07088 -0.07827 135 3S -0.07171 -0.13860 -0.08721 -0.14285 -0.15274 136 4PX -0.00224 -0.00267 0.00633 0.00768 -0.00094 137 4PY 0.00427 0.01516 0.00242 0.00338 0.00438 138 4PZ -0.01056 0.00885 0.00310 0.00004 -0.00997 139 5PX -0.03939 -0.02988 -0.01940 -0.02719 -0.02201 140 5PY 0.00124 -0.03700 -0.03211 -0.03932 -0.04093 141 5PZ 0.00135 0.00278 0.00810 0.02833 0.04331 142 6PX -0.02630 -0.01667 0.00248 -0.01373 -0.02846 143 6PY 0.04772 0.02032 -0.00889 0.03655 0.02143 144 6PZ 0.01763 0.03746 -0.00049 0.02454 0.01201 145 7D 0 -0.02927 0.08814 0.06214 -0.01545 -0.26558 146 7D+1 0.03294 -0.07846 0.01783 -0.10357 -0.19919 147 7D-1 0.20629 0.12880 -0.06630 -0.04188 0.17236 148 7D+2 0.08963 0.02257 -0.04029 -0.03176 -0.00167 149 7D-2 0.08930 -0.19404 -0.05744 -0.08742 0.10471 150 8D 0 -0.00827 0.03095 0.02073 -0.00487 -0.08774 151 8D+1 0.01080 -0.02404 0.00713 -0.03272 -0.06685 152 8D-1 0.07140 0.04417 -0.02136 -0.01553 0.05964 153 8D+2 0.02906 0.00572 -0.01311 -0.00904 -0.00092 154 8D-2 0.03029 -0.06563 -0.02190 -0.02945 0.03426 155 8 Cu 1S 0.00030 0.00133 -0.00042 -0.00060 -0.00187 156 2S 0.06106 0.00219 -0.01753 0.02435 0.00552 157 3S 0.16340 0.09797 -0.06716 0.06424 0.01508 158 4PX -0.00744 0.00034 -0.00881 -0.00230 0.00347 159 4PY 0.01267 -0.00434 0.00072 -0.00482 -0.00050 160 4PZ 0.00640 -0.00049 -0.00721 0.01174 0.00232 161 5PX -0.00878 -0.00110 0.01729 0.01755 -0.00947 162 5PY -0.04192 -0.00464 0.00914 -0.01049 -0.01877 163 5PZ -0.04145 -0.00650 0.01778 -0.02417 0.00218 164 6PX 0.01569 0.01138 -0.00173 -0.00515 0.03684 165 6PY 0.01414 0.00326 -0.01973 -0.00327 0.01134 166 6PZ 0.00106 -0.04422 0.00595 -0.00587 0.01478 167 7D 0 -0.03654 0.04325 -0.15570 0.25439 0.03547 168 7D+1 -0.08757 -0.00578 -0.12154 -0.05389 0.12337 169 7D-1 0.10057 -0.09240 -0.01889 0.00893 0.01661 170 7D+2 -0.06106 0.05681 0.03183 0.11720 0.03147 171 7D-2 -0.09370 0.00808 -0.11614 -0.00133 0.03429 172 8D 0 -0.01341 0.01424 -0.05592 0.08707 0.01254 173 8D+1 -0.02795 -0.00104 -0.04313 -0.01766 0.04117 174 8D-1 0.03736 -0.03371 -0.00692 0.00190 0.00931 175 8D+2 -0.02238 0.01926 0.01403 0.03978 0.01072 176 8D-2 -0.03040 0.00469 -0.04118 -0.00092 0.01202 177 9 C 1S 0.00203 -0.00564 -0.00566 0.00590 0.00075 178 2S -0.00371 0.00440 0.01771 -0.01325 -0.00057 179 3S -0.00725 0.07886 -0.01794 -0.01828 -0.01155 180 4PX 0.01074 -0.00241 -0.00823 0.01637 0.00808 181 4PY -0.00524 0.01928 0.01999 -0.01204 -0.00183 182 4PZ 0.00368 -0.01107 -0.00727 -0.02838 0.00919 183 5PX 0.01508 -0.01267 0.00565 0.00505 0.00825 184 5PY 0.00145 0.03122 -0.02015 0.01175 0.00857 185 5PZ 0.00825 0.00123 -0.02065 -0.02254 0.00842 186 10 O 1S -0.00047 0.00184 0.00103 -0.00159 -0.00013 187 2S 0.00161 -0.00555 -0.00251 0.00430 -0.00077 188 3S 0.00137 -0.00749 -0.00559 0.00903 0.00584 189 4PX -0.02492 0.00556 0.01062 -0.02889 -0.01461 190 4PY 0.00353 -0.02797 -0.01334 0.00658 -0.00022 191 4PZ -0.01023 0.02457 0.02075 0.05375 -0.01696 192 5PX -0.01662 0.00464 0.00360 -0.01526 -0.01017 193 5PY -0.00071 -0.01545 -0.00118 -0.00194 0.00115 194 5PZ -0.00766 0.01272 0.01661 0.03312 -0.01003 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29755 -0.29453 -0.29217 -0.29103 -0.28803 1 1 Cu 1S 0.00198 0.00352 -0.00042 0.00222 -0.00258 2 2S -0.03759 0.03199 0.00488 0.00105 -0.01037 3 3S 0.13700 0.09467 0.03086 0.07005 -0.15908 4 4PX -0.00437 -0.00542 0.00592 -0.00179 -0.00012 5 4PY 0.00665 0.00028 -0.00275 0.00049 -0.00345 6 4PZ 0.00345 -0.00912 0.00584 0.00371 -0.00362 7 5PX 0.00057 -0.00927 -0.03349 -0.01215 0.02423 8 5PY -0.03408 0.01322 0.02462 0.00108 -0.00381 9 5PZ -0.00959 0.04770 -0.04337 -0.00765 -0.00780 10 6PX 0.01935 -0.02482 0.04583 -0.00228 0.07159 11 6PY -0.02674 -0.00671 -0.03394 -0.00339 -0.05778 12 6PZ -0.03977 -0.06809 -0.00521 0.06475 -0.15272 13 7D 0 0.00743 0.09729 -0.12288 -0.02822 0.00484 14 7D+1 -0.09221 -0.11611 0.09789 -0.13395 0.03418 15 7D-1 0.20627 -0.06448 0.09285 0.12501 0.12415 16 7D+2 0.09183 -0.02314 0.16681 0.02839 -0.02722 17 7D-2 0.42868 -0.14744 -0.01552 0.07218 0.11421 18 8D 0 0.00278 0.03028 -0.04061 -0.00988 0.00269 19 8D+1 -0.03118 -0.03799 0.03176 -0.04331 0.01075 20 8D-1 0.06649 -0.02178 0.03011 0.04002 0.04000 21 8D+2 0.03050 -0.00574 0.05364 0.00970 -0.00902 22 8D-2 0.13946 -0.04729 -0.00732 0.02392 0.03700 23 2 Cu 1S -0.00121 -0.00087 -0.00150 -0.00075 0.00174 24 2S 0.04589 0.01720 0.00349 0.01381 -0.02145 25 3S 0.05091 0.02203 -0.09811 0.03196 0.03250 26 4PX 0.00313 -0.00360 -0.00242 -0.00229 0.00369 27 4PY 0.00767 -0.00184 0.00436 0.00019 -0.00146 28 4PZ 0.00469 0.00014 0.00030 0.00110 0.00452 29 5PX -0.02005 0.00530 0.03749 -0.00301 -0.01153 30 5PY -0.01253 0.03129 -0.03265 0.01269 0.00445 31 5PZ -0.01005 -0.00133 -0.01542 -0.01275 -0.02171 32 6PX 0.00726 -0.01540 0.00326 0.00555 -0.03443 33 6PY -0.00845 -0.01782 -0.02660 0.00081 0.00696 34 6PZ 0.01490 0.02281 0.00895 -0.01593 0.03483 35 7D 0 0.10240 0.15504 0.08560 -0.13364 0.00126 36 7D+1 0.06497 -0.04515 0.01023 0.07791 -0.11363 37 7D-1 0.08524 -0.09050 -0.02238 -0.00848 0.09561 38 7D+2 0.10820 -0.04613 0.00657 0.14280 -0.10048 39 7D-2 0.28515 -0.01794 0.04936 0.02204 0.02836 40 8D 0 0.03363 0.04641 0.02410 -0.03771 0.00095 41 8D+1 0.01932 -0.01331 0.00360 0.02355 -0.03301 42 8D-1 0.02516 -0.02755 -0.00645 -0.00317 0.02989 43 8D+2 0.03313 -0.01270 0.00365 0.04256 -0.03104 44 8D-2 0.08809 -0.00532 0.01585 0.00538 0.00780 45 3 Cu 1S -0.00075 -0.00104 -0.00089 -0.00055 0.00028 46 2S -0.01419 -0.00430 -0.00426 -0.00489 -0.01808 47 3S -0.08812 -0.00690 -0.05569 -0.01738 -0.09149 48 4PX -0.00469 -0.00513 -0.00129 -0.00339 -0.00149 49 4PY 0.00193 0.00063 -0.00026 0.00106 0.00073 50 4PZ -0.00179 -0.00284 0.00020 -0.00281 0.00196 51 5PX 0.02695 0.00655 0.01875 0.01028 0.01083 52 5PY -0.00433 0.00461 -0.00129 -0.00613 -0.00101 53 5PZ -0.00831 0.00606 -0.00442 0.00319 -0.01342 54 6PX -0.00818 -0.00640 -0.00659 0.00100 -0.02220 55 6PY -0.01015 -0.01428 -0.00740 0.02214 -0.03001 56 6PZ -0.02281 0.00446 -0.01047 -0.00751 -0.01351 57 7D 0 0.05951 0.16012 0.00212 0.13595 0.02621 58 7D+1 -0.05088 0.08568 0.00727 -0.00150 0.01395 59 7D-1 -0.01995 0.01158 -0.04876 0.05358 -0.01293 60 7D+2 -0.09974 -0.23511 -0.00655 -0.08001 -0.04757 61 7D-2 0.01023 0.01378 -0.06616 0.07314 0.01910 62 8D 0 0.02010 0.05347 0.00255 0.04671 0.00810 63 8D+1 -0.01781 0.03076 0.00338 -0.00039 0.00557 64 8D-1 -0.00650 0.00531 -0.01678 0.01839 -0.00497 65 8D+2 -0.03455 -0.07984 -0.00134 -0.02703 -0.01591 66 8D-2 0.00357 0.00464 -0.02383 0.02744 0.00779 67 4 Cu 1S -0.00073 0.00027 0.00047 0.00032 0.00304 68 2S -0.05383 -0.03218 0.00780 -0.01178 0.03341 69 3S -0.01660 -0.01373 0.11001 -0.03765 0.13415 70 4PX -0.00346 0.00396 -0.00210 0.00358 0.00574 71 4PY 0.00742 0.00371 0.00272 -0.00298 -0.00567 72 4PZ 0.00321 -0.00244 -0.00177 -0.00013 -0.00442 73 5PX 0.00846 -0.00993 0.01005 -0.02059 -0.01360 74 5PY -0.00709 0.00227 -0.00865 -0.00097 0.03190 75 5PZ -0.01034 0.00926 0.01929 0.00062 0.03253 76 6PX -0.01609 0.00462 0.02663 0.02712 -0.00417 77 6PY 0.00734 -0.00784 0.01773 -0.01545 0.00433 78 6PZ 0.00360 -0.02311 0.02113 -0.01965 0.05095 79 7D 0 0.05608 0.30865 0.02590 -0.18677 0.00917 80 7D+1 0.31299 0.07811 0.10384 0.05967 -0.00959 81 7D-1 -0.04431 -0.09186 -0.14912 0.34985 0.06746 82 7D+2 0.04647 -0.22093 -0.02872 -0.16478 -0.17255 83 7D-2 0.04490 -0.05508 0.28099 -0.21976 -0.12576 84 8D 0 0.01983 0.10403 0.00733 -0.06084 0.00171 85 8D+1 0.10618 0.02701 0.03423 0.01864 -0.00229 86 8D-1 -0.01495 -0.02797 -0.04998 0.11743 0.02079 87 8D+2 0.01494 -0.07407 -0.00999 -0.05412 -0.05636 88 8D-2 0.01359 -0.01725 0.09429 -0.07294 -0.04395 89 5 Cu 1S -0.00201 -0.00068 0.00013 0.00142 0.00153 90 2S -0.03830 0.00612 0.04732 -0.00793 0.02512 91 3S -0.17979 0.01783 0.10272 0.01970 0.03231 92 4PX -0.00378 -0.00462 0.01022 0.00156 0.00275 93 4PY 0.00387 -0.00239 -0.00002 0.00321 -0.01011 94 4PZ -0.00362 0.00319 0.00099 0.00099 -0.00583 95 5PX 0.03326 -0.00606 -0.02491 -0.00586 -0.00603 96 5PY -0.02692 0.00119 0.01387 0.00169 0.02430 97 5PZ 0.02734 -0.00232 -0.02501 -0.00702 0.01211 98 6PX 0.02352 0.01076 -0.00513 -0.00380 0.00074 99 6PY 0.00718 0.01939 -0.00127 -0.01298 0.00061 100 6PZ 0.03084 0.00768 0.00579 0.00956 -0.01351 101 7D 0 -0.03242 0.07167 -0.19044 -0.04028 -0.19460 102 7D+1 -0.01351 -0.10334 0.08617 0.21080 -0.05574 103 7D-1 0.14888 -0.08528 0.11147 0.04983 0.09882 104 7D+2 -0.08976 -0.21601 0.27095 0.12283 -0.13346 105 7D-2 -0.09430 -0.01081 -0.10928 0.01676 -0.15939 106 8D 0 -0.01266 0.02297 -0.06351 -0.01246 -0.06542 107 8D+1 -0.00402 -0.03418 0.02740 0.07213 -0.01872 108 8D-1 0.04860 -0.02915 0.03592 0.01618 0.03436 109 8D+2 -0.03053 -0.07248 0.09244 0.03978 -0.04500 110 8D-2 -0.03198 -0.00376 -0.03946 0.00458 -0.05299 111 6 Cu 1S -0.00035 0.00040 -0.00241 0.00164 -0.00026 112 2S -0.09045 -0.06873 -0.06126 -0.01268 0.05641 113 3S -0.13769 -0.05121 -0.18175 0.03228 -0.02047 114 4PX 0.00965 0.00135 -0.00051 0.00315 -0.00527 115 4PY -0.00484 -0.00745 -0.00927 0.00221 -0.00380 116 4PZ -0.00459 0.00793 0.00428 0.01181 -0.00511 117 5PX -0.03671 -0.00407 -0.02331 -0.01141 0.00532 118 5PY 0.02837 0.03076 0.05081 -0.01767 0.01381 119 5PZ 0.01343 -0.01490 -0.01334 -0.02858 0.01199 120 6PX -0.01513 -0.01896 -0.00411 0.01253 -0.00483 121 6PY 0.01180 -0.01393 0.01551 0.00340 0.00887 122 6PZ -0.01885 0.02284 -0.00977 0.01341 0.01325 123 7D 0 0.04062 -0.15896 -0.09674 -0.03676 0.34544 124 7D+1 0.01603 -0.14116 -0.11021 -0.19202 0.17266 125 7D-1 -0.19171 0.11012 0.02094 0.26695 0.31959 126 7D+2 -0.09823 0.07138 0.26956 -0.06694 0.05202 127 7D-2 -0.10120 -0.03099 -0.03168 -0.01980 0.07614 128 8D 0 0.01529 -0.05424 -0.03326 -0.01250 0.11642 129 8D+1 0.00630 -0.04876 -0.03769 -0.06401 0.05703 130 8D-1 -0.06582 0.03791 0.00741 0.09056 0.10797 131 8D+2 -0.03333 0.02430 0.09020 -0.02265 0.01630 132 8D-2 -0.03693 -0.01079 -0.00931 -0.00562 0.02557 133 7 Cu 1S 0.00316 -0.00085 0.00017 -0.00071 -0.00081 134 2S -0.01298 -0.04897 0.02425 -0.03409 -0.00917 135 3S 0.12294 -0.03597 0.07885 -0.05439 -0.13396 136 4PX -0.00210 0.00101 -0.01074 -0.00468 -0.00010 137 4PY -0.00003 0.00834 0.00641 0.00574 0.00089 138 4PZ -0.00178 0.00711 -0.00767 -0.00522 -0.00261 139 5PX 0.02554 -0.01832 0.02835 0.00940 -0.00441 140 5PY 0.02573 -0.01850 -0.00411 -0.01676 -0.02667 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4PX -0.02497 0.00128 -0.00541 0.00373 -0.00495 181 4PY 0.02963 0.00472 0.01418 0.00882 -0.01558 182 4PZ -0.01038 0.00182 0.00049 0.00443 -0.01302 183 5PX -0.00627 -0.00190 -0.00492 0.00192 -0.00210 184 5PY 0.01103 0.00797 -0.01144 0.00350 0.00165 185 5PZ -0.00658 0.00343 -0.00286 0.00689 -0.00031 186 10 O 1S 0.00217 0.00042 0.00110 0.00060 -0.00123 187 2S -0.00707 -0.00118 -0.00202 -0.00178 0.00247 188 3S -0.00575 -0.00196 -0.00964 -0.00237 0.01024 189 4PX 0.03710 -0.00397 0.00549 -0.00693 0.01051 190 4PY -0.02310 -0.00533 -0.01010 -0.00797 0.01250 191 4PZ 0.02141 -0.00283 0.00079 -0.00550 0.01866 192 5PX 0.01858 -0.00171 0.00400 -0.00418 0.00622 193 5PY -0.00743 -0.00317 -0.00209 -0.00324 0.00551 194 5PZ 0.01338 -0.00212 0.00131 -0.00430 0.00880 56 57 58 59 60 O O O O O EIGENVALUES -- -0.28540 -0.28353 -0.28121 -0.27848 -0.27663 1 1 Cu 1S 0.00262 0.00133 -0.00042 -0.00043 -0.00083 2 2S -0.00234 0.00069 -0.00826 0.00797 -0.00646 3 3S 0.13205 0.03235 0.00110 -0.05888 -0.05324 4 4PX 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2S 0.00519 0.00940 -0.00550 0.01586 0.00524 25 3S -0.10194 -0.09982 0.00516 0.02759 -0.02686 26 4PX -0.00750 0.00545 0.00497 0.00247 0.01099 27 4PY 0.00652 0.00839 -0.00733 -0.00436 -0.00640 28 4PZ 0.01407 -0.00030 0.01845 -0.01432 -0.00345 29 5PX 0.03143 -0.02007 -0.01141 -0.01294 -0.05294 30 5PY -0.01888 -0.03891 0.01769 -0.00203 0.00922 31 5PZ -0.03513 -0.00092 -0.07638 0.09651 0.02350 32 6PX 0.00404 0.01506 -0.00821 -0.00110 -0.01791 33 6PY -0.03797 -0.01966 0.00999 0.01159 -0.00580 34 6PZ 0.02768 -0.04572 0.00412 0.01032 -0.00303 35 7D 0 -0.00753 0.03441 0.07748 -0.04040 -0.05311 36 7D+1 -0.06729 0.07785 -0.12687 -0.02554 0.00626 37 7D-1 0.01119 -0.11408 0.10296 -0.10333 0.06967 38 7D+2 0.17609 -0.01292 -0.05937 -0.06430 -0.11500 39 7D-2 0.13072 0.13349 -0.02078 -0.01609 0.04150 40 8D 0 0.00093 0.01039 0.02271 -0.01369 -0.01639 41 8D+1 -0.02035 0.02252 -0.03697 -0.00600 0.00236 42 8D-1 0.00455 -0.03340 0.03514 -0.03038 0.02091 43 8D+2 0.05410 -0.00472 -0.01717 -0.02007 -0.03809 44 8D-2 0.03803 0.04111 -0.00489 -0.00503 0.01285 45 3 Cu 1S 0.00059 -0.00098 -0.00296 -0.00200 0.00018 46 2S 0.06018 0.02411 0.05116 0.06889 0.01633 47 3S 0.10879 0.01579 -0.07705 -0.04247 0.04838 48 4PX 0.00718 0.00121 0.00597 0.00474 0.00172 49 4PY 0.00322 -0.00356 0.00213 -0.00497 -0.00042 50 4PZ -0.00298 -0.00283 -0.00328 -0.00673 -0.00147 51 5PX -0.02687 0.00061 0.00478 -0.00172 -0.00234 52 5PY -0.00301 -0.00108 -0.00036 -0.01793 -0.00323 53 5PZ 0.03178 0.00507 -0.01446 -0.01031 0.01593 54 6PX -0.00197 0.00240 0.00830 0.00038 -0.01101 55 6PY -0.00642 0.00974 -0.00724 -0.01590 0.00827 56 6PZ 0.00211 0.00737 -0.00658 -0.00551 -0.00439 57 7D 0 -0.24996 0.00289 -0.04361 0.12787 0.12625 58 7D+1 0.00009 -0.03420 -0.07675 -0.06866 0.14390 59 7D-1 -0.04071 0.16457 0.02768 0.31402 0.03489 60 7D+2 0.17068 -0.13926 0.07044 0.08396 0.25570 61 7D-2 0.06532 -0.13222 0.10724 -0.17623 0.24315 62 8D 0 -0.08321 0.00057 -0.01499 0.04235 0.04343 63 8D+1 0.00004 -0.01127 -0.02486 -0.02263 0.04864 64 8D-1 -0.01189 0.05618 0.00928 0.10473 0.01098 65 8D+2 0.05697 -0.04705 0.02360 0.02726 0.08454 66 8D-2 0.02296 -0.04602 0.03663 -0.05936 0.08211 67 4 Cu 1S 0.00056 -0.00165 -0.00073 -0.00167 0.00072 68 2S 0.01881 0.02966 0.06737 0.03433 0.00893 69 3S -0.00658 0.07443 0.08160 -0.00424 0.02697 70 4PX -0.00936 0.00020 -0.00846 -0.00523 -0.00465 71 4PY 0.00207 -0.00280 -0.00072 -0.00409 0.00144 72 4PZ 0.00498 -0.00382 -0.00411 -0.00242 0.00289 73 5PX 0.01242 -0.00284 0.03297 0.00666 0.02495 74 5PY -0.00940 0.01999 0.01327 0.00378 0.00509 75 5PZ -0.00671 0.02403 0.02073 0.00733 -0.00868 76 6PX -0.04054 0.01875 0.00194 0.00955 -0.01358 77 6PY -0.01602 0.01782 0.00204 -0.01166 0.02287 78 6PZ 0.02012 -0.00236 0.00365 0.00367 0.00383 79 7D 0 -0.06518 0.05657 -0.13146 -0.12891 -0.01087 80 7D+1 -0.16031 0.03549 -0.19838 -0.13234 -0.04228 81 7D-1 0.03316 -0.12924 0.02318 -0.02437 -0.17980 82 7D+2 0.35205 -0.13580 -0.14125 0.00162 0.15354 83 7D-2 -0.01846 0.10517 -0.12849 0.19646 -0.16408 84 8D 0 -0.01973 0.01816 -0.04323 -0.04097 -0.00334 85 8D+1 -0.05249 0.01209 -0.06349 -0.04283 -0.01385 86 8D-1 0.01144 -0.04199 0.00720 -0.00711 -0.05832 87 8D+2 0.11665 -0.04507 -0.04765 -0.00069 0.04950 88 8D-2 -0.00807 0.03473 -0.04161 0.06507 -0.05436 89 5 Cu 1S 0.00140 -0.00032 0.00031 0.00246 -0.00076 90 2S -0.06299 -0.03677 -0.07972 -0.01598 0.02088 91 3S -0.02233 0.01188 -0.10663 0.01036 -0.00836 92 4PX -0.00681 -0.00297 -0.00369 -0.00038 -0.00102 93 4PY 0.00089 0.00763 0.00530 0.00244 -0.00237 94 4PZ -0.00422 0.00010 -0.00480 -0.00343 0.00393 95 5PX 0.00989 0.01938 0.02448 -0.00978 0.00754 96 5PY -0.00783 -0.01191 -0.03439 0.02818 0.01049 97 5PZ 0.01252 -0.00685 0.00989 0.01599 -0.00243 98 6PX -0.01909 -0.00339 0.01118 -0.01016 -0.01130 99 6PY 0.01094 -0.00970 -0.00725 0.00755 -0.02049 100 6PZ 0.01062 -0.01789 0.00841 0.01464 -0.01030 101 7D 0 0.11909 0.14151 0.14968 0.15791 -0.11255 102 7D+1 -0.00738 0.16499 -0.10618 -0.07056 0.09752 103 7D-1 -0.08210 -0.03822 -0.12796 0.32462 0.00448 104 7D+2 -0.08199 0.17009 0.20468 -0.06833 -0.13431 105 7D-2 -0.07271 0.34359 -0.07926 -0.12133 0.19362 106 8D 0 0.04011 0.04739 0.04922 0.05210 -0.03830 107 8D+1 -0.00267 0.05522 -0.03578 -0.02334 0.03302 108 8D-1 -0.02705 -0.01228 -0.04402 0.10803 -0.00036 109 8D+2 -0.02686 0.05468 0.06976 -0.02197 -0.04606 110 8D-2 -0.02539 0.11576 -0.02784 -0.04133 0.06525 111 6 Cu 1S -0.00001 0.00068 -0.00101 0.00086 0.00189 112 2S -0.05929 -0.00519 -0.01499 0.00523 -0.02111 113 3S -0.09880 -0.00709 -0.10161 0.02321 0.09006 114 4PX 0.00136 0.00033 0.00299 0.00043 0.00588 115 4PY -0.00683 -0.00061 0.00382 0.00008 0.00022 116 4PZ 0.00461 -0.00105 0.00903 0.00118 -0.00047 117 5PX -0.02794 0.00053 -0.01702 0.01352 -0.00121 118 5PY 0.02054 -0.00034 0.00006 0.00781 -0.01549 119 5PZ -0.01446 0.02400 -0.03436 0.01081 0.01030 120 6PX -0.00432 -0.01042 -0.01756 0.00689 0.02825 121 6PY 0.01255 0.01280 0.03053 -0.00259 0.00252 122 6PZ -0.00723 0.00520 0.01662 -0.00380 0.01790 123 7D 0 -0.12861 0.20365 0.18168 -0.01888 0.08057 124 7D+1 0.14373 0.10245 -0.21661 -0.19068 -0.11564 125 7D-1 0.20717 0.06189 0.07270 0.05810 -0.06357 126 7D+2 0.17461 0.05361 -0.04038 -0.06235 0.08491 127 7D-2 0.00140 -0.01106 -0.19887 0.02687 -0.07674 128 8D 0 -0.04533 0.06884 0.06242 -0.00659 0.02922 129 8D+1 0.04997 0.03436 -0.07147 -0.06204 -0.03866 130 8D-1 0.07060 0.01856 0.02169 0.01912 -0.02085 131 8D+2 0.05659 0.01811 -0.01222 -0.02035 0.02674 132 8D-2 0.00131 -0.00512 -0.06720 0.00960 -0.02538 133 7 Cu 1S 0.00121 0.00040 0.00118 0.00007 -0.00041 134 2S -0.07729 0.00443 -0.00372 0.00290 0.00836 135 3S 0.01377 0.03815 0.07975 -0.02572 -0.03628 136 4PX 0.00486 -0.00249 0.00250 0.00417 -0.00178 137 4PY 0.00896 0.00625 -0.00167 0.00080 0.00241 138 4PZ 0.00572 0.00290 0.00120 0.00433 0.00022 139 5PX -0.01323 0.02869 0.01469 -0.01996 -0.00144 140 5PY -0.03403 -0.01853 0.01935 0.01799 0.00077 141 5PZ -0.02611 0.00619 0.02054 -0.00781 0.00857 142 6PX 0.00795 -0.00348 0.01006 -0.01753 -0.01473 143 6PY 0.03982 -0.01045 0.00935 0.00760 0.02014 144 6PZ 0.00770 -0.00774 0.01014 -0.00328 0.00049 145 7D 0 0.04217 0.12070 0.20126 -0.02443 0.00628 146 7D+1 -0.19184 -0.00033 -0.12957 -0.17782 -0.07792 147 7D-1 -0.09034 -0.11361 0.22735 0.01132 0.07343 148 7D+2 0.15364 0.18241 -0.11891 0.01594 0.17205 149 7D-2 0.27203 -0.01779 0.14162 -0.11194 -0.13896 150 8D 0 0.01290 0.03718 0.06534 -0.00882 0.00106 151 8D+1 -0.06119 -0.00178 -0.04089 -0.05616 -0.02524 152 8D-1 -0.03155 -0.03637 0.07723 0.00530 0.02362 153 8D+2 0.05060 0.05972 -0.04051 0.00568 0.05521 154 8D-2 0.08973 -0.00643 0.04859 -0.03523 -0.04536 155 8 Cu 1S 0.00047 0.00044 0.00108 0.00289 0.00039 156 2S -0.04815 -0.05274 -0.04271 -0.04542 -0.02406 157 3S -0.04322 -0.06386 0.10984 0.07986 -0.05560 158 4PX -0.00247 0.00483 0.00559 0.00232 -0.00156 159 4PY -0.00638 -0.00919 -0.00287 -0.00154 0.00035 160 4PZ -0.00039 -0.00005 -0.00298 -0.00853 -0.00374 161 5PX -0.00700 -0.00205 -0.02941 0.01136 0.00614 162 5PY 0.02046 0.02775 -0.01413 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-0.00413 0.00148 -0.00856 7 5PX 0.04075 0.00012 0.05216 -0.04784 0.02954 8 5PY -0.06759 -0.06879 0.01098 0.00619 -0.01593 9 5PZ -0.08929 0.01784 -0.00128 -0.01143 0.04885 10 6PX 0.01449 -0.03456 0.02636 -0.02200 0.04584 11 6PY -0.02567 -0.00238 0.01752 -0.02428 -0.04599 12 6PZ -0.05803 0.07063 0.03311 -0.00899 -0.03013 13 7D 0 0.13091 0.02798 -0.03367 0.14099 0.12592 14 7D+1 0.02532 0.01685 0.00175 0.08916 0.13404 15 7D-1 -0.12716 0.04177 0.02894 0.03148 0.10132 16 7D+2 0.14551 -0.07493 -0.04203 -0.04377 0.26609 17 7D-2 -0.12117 -0.12740 0.08063 -0.13377 0.15378 18 8D 0 0.03965 0.00789 -0.01250 0.04456 0.03896 19 8D+1 0.00770 0.00469 0.00099 0.02614 0.04068 20 8D-1 -0.03903 0.01415 0.00963 0.00935 0.03145 21 8D+2 0.04560 -0.02417 -0.01475 -0.01356 0.08439 22 8D-2 -0.03761 -0.04007 0.02472 -0.04122 0.04645 23 2 Cu 1S -0.00040 -0.00075 -0.00064 0.00015 0.00005 24 2S -0.00036 0.00907 0.00555 -0.00639 0.00025 25 3S -0.02376 -0.01284 -0.05954 0.02986 0.05140 26 4PX -0.00609 -0.02014 -0.00895 0.00488 0.00776 27 4PY -0.00390 -0.00053 0.00414 0.00872 -0.00185 28 4PZ 0.00861 -0.00404 -0.00610 -0.00626 -0.00070 29 5PX 0.01328 0.08967 0.03355 -0.03367 -0.03083 30 5PY 0.01491 0.01172 -0.02410 0.00273 0.01866 31 5PZ -0.05545 0.02650 0.03934 0.04893 0.00799 32 6PX 0.00670 0.02366 0.00532 -0.00769 0.01988 33 6PY -0.00028 0.00058 -0.00431 -0.01177 0.00621 34 6PZ 0.02077 -0.00066 0.01642 0.00419 0.04486 35 7D 0 0.01474 0.07341 0.05474 -0.02004 0.04380 36 7D+1 -0.06371 0.03344 0.02512 0.08321 0.00806 37 7D-1 0.08281 -0.04552 -0.11444 -0.06481 -0.01262 38 7D+2 0.05952 0.15458 0.06212 0.00197 -0.13475 39 7D-2 -0.01040 -0.12028 -0.02146 0.06909 0.01995 40 8D 0 0.00499 0.01959 0.01567 -0.00470 0.01002 41 8D+1 -0.01861 0.00886 0.00783 0.02571 0.00332 42 8D-1 0.02581 -0.01411 -0.03469 -0.02147 -0.00300 43 8D+2 0.01726 0.04938 0.01978 0.00005 -0.04058 44 8D-2 -0.00403 -0.03602 -0.00715 0.02127 0.00850 45 3 Cu 1S -0.00170 -0.00043 -0.00027 0.00079 -0.00009 46 2S 0.01079 -0.00428 0.04153 -0.03857 -0.00259 47 3S -0.09329 -0.03037 0.08054 -0.01089 0.00348 48 4PX -0.00224 -0.00056 0.00510 -0.00179 0.00256 49 4PY 0.00153 0.00106 0.00108 0.00065 -0.00108 50 4PZ -0.00310 0.00205 -0.00383 0.00406 0.00007 51 5PX 0.00394 -0.00158 -0.03134 0.01029 -0.01304 52 5PY -0.01247 0.00375 -0.01755 -0.01105 0.01318 53 5PZ -0.03006 -0.02165 0.01616 -0.00192 0.00346 54 6PX 0.00167 0.01566 -0.01580 0.00992 -0.02204 55 6PY -0.00927 0.02393 -0.00628 0.01057 -0.00624 56 6PZ -0.02315 -0.00710 0.01479 0.01272 0.00081 57 7D 0 0.20404 0.41395 0.08088 -0.11923 0.13524 58 7D+1 -0.22223 0.04905 0.44553 -0.12072 0.31778 59 7D-1 0.13802 -0.30957 0.24438 0.03809 -0.14826 60 7D+2 -0.15866 0.19362 -0.02341 0.04382 0.12147 61 7D-2 0.14608 -0.22531 0.13205 0.11483 -0.08591 62 8D 0 0.06762 0.13699 0.02609 -0.03964 0.04306 63 8D+1 -0.07616 0.01586 0.14734 -0.03871 0.10506 64 8D-1 0.04628 -0.10239 0.08105 0.01198 -0.04812 65 8D+2 -0.05214 0.06428 -0.00760 0.01440 0.04034 66 8D-2 0.05012 -0.07509 0.04433 0.03873 -0.02938 67 4 Cu 1S 0.00046 0.00019 0.00027 0.00002 -0.00040 68 2S -0.02950 -0.03616 -0.01443 -0.01355 0.03040 69 3S -0.06927 0.04894 -0.05020 -0.05923 -0.01008 70 4PX 0.00708 0.00190 -0.00063 -0.00196 0.00057 71 4PY 0.00167 -0.00063 0.00412 0.00504 -0.00212 72 4PZ -0.00110 0.00310 0.00942 0.00550 -0.00171 73 5PX -0.05456 -0.00341 0.00104 0.01523 -0.00165 74 5PY -0.01015 0.00640 -0.03220 -0.02876 0.01279 75 5PZ 0.00419 0.00306 -0.03822 -0.03796 -0.00521 76 6PX -0.00177 0.04153 0.02646 0.01450 0.00659 77 6PY -0.02896 -0.00764 -0.02757 -0.01899 -0.02244 78 6PZ -0.00112 -0.01622 -0.01299 -0.02208 0.00225 79 7D 0 0.06804 0.11602 0.16638 0.36804 -0.08296 80 7D+1 0.27542 -0.08206 -0.02710 0.01268 0.03588 81 7D-1 0.10739 0.09739 0.23199 0.29777 -0.07619 82 7D+2 0.29873 0.08862 0.19513 0.03872 -0.14367 83 7D-2 -0.22779 0.14874 0.13247 0.01509 -0.04961 84 8D 0 0.02200 0.03808 0.05498 0.11813 -0.02657 85 8D+1 0.09079 -0.02764 -0.01068 0.00378 0.00941 86 8D-1 0.03593 0.03160 0.07505 0.09643 -0.02592 87 8D+2 0.09755 0.02748 0.06230 0.01235 -0.04534 88 8D-2 -0.07544 0.05062 0.04241 0.00516 -0.01645 89 5 Cu 1S 0.00035 -0.00114 -0.00125 0.00066 -0.00031 90 2S 0.02245 -0.00078 0.03232 -0.04352 -0.00827 91 3S 0.09247 -0.09035 -0.03793 -0.07623 -0.02117 92 4PX 0.00330 -0.00259 0.00036 -0.00478 0.00002 93 4PY -0.00087 0.00160 -0.00146 0.00386 0.00137 94 4PZ 0.00170 0.00147 0.00213 -0.00394 -0.00175 95 5PX -0.02140 0.00449 0.00107 0.02870 -0.01168 96 5PY 0.01253 -0.00336 -0.00673 -0.01031 -0.00289 97 5PZ -0.01842 0.02434 0.00125 0.01858 0.02179 98 6PX -0.01326 0.00445 -0.00698 0.01061 -0.02652 99 6PY 0.02335 0.00151 -0.00952 -0.00630 0.03080 100 6PZ -0.00117 0.01903 0.01090 0.01866 0.03484 101 7D 0 0.03707 0.19959 0.05260 0.11007 0.20604 102 7D+1 -0.25471 0.01754 -0.14278 0.35369 -0.08208 103 7D-1 -0.11576 0.02735 -0.08146 0.09177 -0.12939 104 7D+2 0.24938 0.01678 0.03946 -0.06601 0.12270 105 7D-2 0.00469 -0.08303 -0.04555 -0.24183 -0.10917 106 8D 0 0.01057 0.06437 0.01830 0.03635 0.06669 107 8D+1 -0.08489 0.00751 -0.04614 0.11528 -0.02636 108 8D-1 -0.03824 0.00843 -0.02674 0.02953 -0.04335 109 8D+2 0.08253 0.00461 0.01292 -0.02108 0.04076 110 8D-2 0.00019 -0.02713 -0.01503 -0.07922 -0.03701 111 6 Cu 1S 0.00172 0.00094 -0.00038 -0.00026 -0.00028 112 2S -0.02696 -0.04849 0.01390 -0.00162 0.00333 113 3S 0.02481 -0.05267 0.02057 0.00736 0.01558 114 4PX 0.00356 0.00347 -0.00128 -0.00062 -0.00050 115 4PY -0.00121 -0.00394 0.00012 0.00303 0.00309 116 4PZ 0.00010 -0.00174 -0.00608 -0.00278 0.00407 117 5PX 0.00197 -0.00519 0.00869 -0.00047 0.01428 118 5PY -0.00383 0.01715 -0.01470 -0.01513 -0.00387 119 5PZ -0.00521 0.01294 0.00097 0.00461 -0.02445 120 6PX -0.00869 -0.01934 -0.00265 -0.00315 0.01777 121 6PY -0.01933 0.00460 -0.01275 -0.00345 0.00418 122 6PZ -0.02474 -0.01395 -0.03393 -0.00995 -0.02484 123 7D 0 -0.02706 0.13342 0.11653 0.04167 -0.07366 124 7D+1 0.10308 0.07569 -0.03971 -0.04199 0.14612 125 7D-1 0.05073 0.06142 -0.08154 -0.03128 0.07358 126 7D+2 -0.04824 -0.10544 0.09179 0.07808 -0.20351 127 7D-2 0.05864 -0.17445 0.18516 0.04789 0.24246 128 8D 0 -0.01050 0.04380 0.03790 0.01255 -0.02442 129 8D+1 0.03501 0.02449 -0.01429 -0.01386 0.04743 130 8D-1 0.01771 0.01972 -0.02663 -0.01165 0.02431 131 8D+2 -0.01630 -0.03489 0.02997 0.02548 -0.06641 132 8D-2 0.01979 -0.05796 0.06058 0.01584 0.07998 133 7 Cu 1S 0.00014 0.00091 0.00061 0.00071 0.00001 134 2S -0.01444 -0.03646 0.00694 -0.01206 0.01081 135 3S -0.01792 0.03355 0.05290 0.02918 0.00556 136 4PX -0.00196 0.00094 0.00332 0.00193 0.00347 137 4PY -0.00059 0.00237 -0.00442 -0.00652 -0.00499 138 4PZ -0.00813 0.00095 -0.00404 0.00217 0.00403 139 5PX 0.00916 0.00131 -0.00996 -0.00263 -0.02068 140 5PY 0.01085 -0.01021 0.01060 0.04249 0.03371 141 5PZ 0.02939 -0.00921 -0.00731 -0.00210 -0.01487 142 6PX 0.00874 0.00111 -0.00461 -0.01299 -0.02412 143 6PY 0.00422 -0.02853 0.01693 0.03308 0.02119 144 6PZ 0.01733 -0.02399 -0.01978 0.00502 -0.00757 145 7D 0 0.12351 -0.02921 -0.07387 0.06588 -0.03938 146 7D+1 0.07807 0.06895 0.01356 -0.10714 -0.07603 147 7D-1 -0.04110 -0.08719 0.13851 0.20286 0.14096 148 7D+2 0.03039 0.06704 0.04840 0.08442 0.06468 149 7D-2 -0.01862 0.20247 0.06095 -0.23334 -0.19120 150 8D 0 0.04109 -0.01021 -0.02304 0.01811 -0.01237 151 8D+1 0.02658 0.02340 0.00305 -0.03549 -0.02492 152 8D-1 -0.01428 -0.02789 0.04450 0.06629 0.04581 153 8D+2 0.00754 0.01935 0.01647 0.02747 0.02107 154 8D-2 -0.00448 0.06766 0.01799 -0.07423 -0.06137 155 8 Cu 1S 0.00143 0.00059 -0.00123 0.00063 0.00003 156 2S -0.03566 -0.03245 0.06159 -0.01221 -0.01131 157 3S 0.02552 -0.00190 0.07477 0.00746 -0.00777 158 4PX 0.00267 0.00072 0.00166 0.00086 0.00153 159 4PY -0.00120 -0.00223 0.00540 -0.00115 -0.00325 160 4PZ -0.00355 -0.00211 0.00583 -0.00141 -0.00149 161 5PX -0.00253 -0.00350 -0.00735 0.00788 -0.01352 162 5PY 0.00938 0.00473 -0.02757 -0.00243 0.02277 163 5PZ -0.01882 0.00069 -0.02517 0.01255 0.00690 164 6PX 0.00037 -0.01008 -0.02156 0.01693 -0.01031 165 6PY 0.02771 -0.00301 -0.00955 0.01093 0.02465 166 6PZ -0.01558 -0.00633 -0.00527 -0.00219 -0.01531 167 7D 0 -0.09522 -0.16602 -0.04960 0.07711 0.23608 168 7D+1 0.18286 0.11852 -0.17812 0.14017 0.00971 169 7D-1 -0.08190 0.12583 -0.17960 0.16869 0.06019 170 7D+2 -0.13345 0.09393 0.26082 -0.08895 -0.24463 171 7D-2 0.10426 -0.01270 0.12000 0.11882 0.00427 172 8D 0 -0.03083 -0.05591 -0.01605 0.02474 0.07813 173 8D+1 0.06036 0.03982 -0.05951 0.04586 0.00269 174 8D-1 -0.02860 0.04169 -0.05929 0.05494 0.01890 175 8D+2 -0.04492 0.03069 0.08591 -0.02933 -0.08152 176 8D-2 0.03509 -0.00369 0.03981 0.03911 0.00206 177 9 C 1S -0.00165 -0.00773 -0.00539 -0.00566 0.00328 178 2S 0.00285 0.01639 0.01100 0.00956 -0.00614 179 3S 0.01248 0.04005 0.02835 0.04082 -0.01451 180 4PX 0.00688 0.02472 0.00762 -0.01336 -0.01202 181 4PY 0.00844 0.02818 0.01603 0.01093 -0.01235 182 4PZ -0.01459 0.00585 0.01233 0.01396 0.00194 183 5PX 0.00191 0.00159 0.00068 -0.00426 -0.00869 184 5PY -0.00067 0.00000 -0.00442 0.01445 -0.00228 185 5PZ -0.00196 -0.00018 -0.00096 0.00259 0.00138 186 10 O 1S 0.00020 0.00149 0.00137 0.00099 -0.00078 187 2S -0.00001 -0.00364 -0.00309 -0.00362 0.00209 188 3S -0.00315 -0.00908 -0.00990 -0.00129 0.00387 189 4PX -0.01155 -0.03991 -0.01318 0.01657 0.01809 190 4PY -0.00775 -0.02329 -0.01384 -0.00570 0.01190 191 4PZ 0.02258 -0.00812 -0.01619 -0.01804 -0.00308 192 5PX -0.00626 -0.02118 -0.00678 0.00890 0.01183 193 5PY -0.00460 -0.01022 -0.00575 -0.00272 0.00555 194 5PZ 0.01194 -0.00440 -0.00820 -0.00939 -0.00242 66 67 68 69 70 O O O O O EIGENVALUES -- -0.26513 -0.26357 -0.26311 -0.26220 -0.26061 1 1 Cu 1S 0.00143 0.00043 0.00041 0.00060 -0.00028 2 2S -0.00293 0.00556 0.00312 -0.00368 -0.02420 3 3S 0.05340 0.05730 0.05921 0.04718 -0.01792 4 4PX -0.00469 -0.00018 0.00276 0.00172 0.00368 5 4PY 0.00242 0.00171 -0.00299 -0.00246 -0.00128 6 4PZ -0.00015 -0.00068 0.00522 0.00231 -0.00359 7 5PX 0.02400 -0.00296 0.00126 -0.01083 -0.01010 8 5PY -0.02223 -0.01347 -0.00799 0.00039 0.00445 9 5PZ -0.00205 -0.00770 -0.01156 -0.01357 0.01392 10 6PX -0.00226 0.03476 -0.02917 0.00943 0.02633 11 6PY 0.00163 -0.05006 0.02414 -0.02341 -0.02263 12 6PZ 0.04457 -0.08505 0.02157 0.01041 -0.01090 13 7D 0 -0.00435 -0.03161 -0.08478 0.03801 0.18131 14 7D+1 0.07384 -0.08795 -0.08588 -0.01189 0.12289 15 7D-1 -0.00389 -0.02929 -0.02378 -0.09141 -0.02825 16 7D+2 0.02978 -0.17136 0.05006 -0.23493 -0.04304 17 7D-2 0.08378 0.14246 0.03660 0.08352 -0.09780 18 8D 0 -0.00309 -0.01013 -0.02749 0.01053 0.05594 19 8D+1 0.02301 -0.02744 -0.02554 -0.00300 0.03782 20 8D-1 -0.00053 -0.01042 -0.00707 -0.02808 -0.00821 21 8D+2 0.00925 -0.05285 0.01337 -0.07286 -0.01275 22 8D-2 0.02674 0.04380 0.01033 0.02557 -0.03039 23 2 Cu 1S -0.00044 -0.00017 0.00000 -0.00115 -0.00049 24 2S -0.00415 0.01229 -0.01569 0.00835 -0.00600 25 3S -0.02971 -0.04156 -0.01202 -0.06403 -0.02558 26 4PX 0.00469 -0.00394 -0.00193 0.00568 0.00063 27 4PY 0.00425 -0.00389 0.00738 0.00745 0.00653 28 4PZ 0.00232 -0.00298 0.01333 -0.00597 -0.00407 29 5PX -0.02134 0.02470 0.00345 -0.02223 0.00024 30 5PY -0.01082 -0.00365 -0.01821 -0.03852 -0.00626 31 5PZ -0.00385 0.00158 -0.05852 0.03107 0.01761 32 6PX 0.00359 -0.01274 -0.00311 0.01581 0.00733 33 6PY -0.00754 -0.00470 -0.00733 -0.00335 -0.00225 34 6PZ 0.01962 0.01376 0.01335 0.02387 0.01428 35 7D 0 0.02269 -0.03157 0.12229 0.09151 -0.00266 36 7D+1 -0.01331 0.02634 0.02864 -0.00121 -0.10674 37 7D-1 0.01095 -0.01177 0.07159 -0.03455 -0.05406 38 7D+2 0.05037 0.04380 0.06804 0.03819 0.03652 39 7D-2 -0.01439 -0.04899 0.03487 0.06449 0.06173 40 8D 0 0.00743 -0.00871 0.03712 0.02742 -0.00013 41 8D+1 -0.00356 0.00953 0.00825 -0.00044 -0.02959 42 8D-1 0.00337 -0.00466 0.02275 -0.01147 -0.01638 43 8D+2 0.01559 0.01328 0.02097 0.01269 0.01120 44 8D-2 -0.00471 -0.01603 0.01078 0.02058 0.01894 45 3 Cu 1S 0.00023 -0.00042 -0.00054 -0.00024 -0.00017 46 2S -0.02587 0.00055 -0.00131 -0.01675 -0.02439 47 3S -0.02383 -0.06880 -0.04785 -0.01300 -0.06446 48 4PX -0.00237 0.00021 -0.00247 -0.00115 -0.00331 49 4PY -0.00191 -0.00321 -0.00073 0.00299 0.00066 50 4PZ 0.00531 0.00056 0.00361 0.00246 0.00177 51 5PX 0.00560 0.00284 0.02242 0.01082 0.03123 52 5PY 0.00663 0.01632 0.00575 -0.02568 -0.00411 53 5PZ -0.02207 -0.01458 -0.02315 0.00063 -0.00336 54 6PX 0.01209 -0.00932 0.02344 -0.00033 0.00487 55 6PY 0.01079 -0.00187 -0.00071 -0.00506 -0.00348 56 6PZ -0.01212 -0.01187 -0.01030 -0.00519 -0.00006 57 7D 0 0.27492 0.03731 0.18674 0.12590 -0.04432 58 7D+1 -0.16655 -0.01463 -0.20263 0.12577 0.03725 59 7D-1 0.09713 -0.04549 -0.12042 0.13259 0.15414 60 7D+2 0.09156 -0.00672 0.15399 0.33427 0.33576 61 7D-2 0.42621 0.37394 -0.01816 -0.17925 0.20203 62 8D 0 0.09085 0.01120 0.06299 0.04166 -0.01570 63 8D+1 -0.05552 -0.00504 -0.06688 0.04077 0.01263 64 8D-1 0.03214 -0.01524 -0.03967 0.04383 0.05079 65 8D+2 0.03015 -0.00245 0.05056 0.10940 0.11008 66 8D-2 0.13893 0.12233 -0.00621 -0.05889 0.06599 67 4 Cu 1S -0.00019 -0.00012 -0.00092 0.00165 0.00169 68 2S -0.00257 -0.00625 0.01168 -0.00458 -0.00533 69 3S 0.00983 0.00190 -0.01287 0.04897 0.05776 70 4PX 0.00080 -0.00243 -0.00106 -0.00310 -0.00671 71 4PY 0.00820 0.00939 -0.00239 0.00133 -0.00415 72 4PZ -0.00474 -0.00056 -0.00128 0.00588 0.00792 73 5PX -0.00211 0.01314 0.01462 0.02080 0.05293 74 5PY -0.03165 -0.05308 -0.00013 -0.01117 0.01570 75 5PZ 0.01647 0.00224 -0.00591 -0.01713 -0.03423 76 6PX 0.03044 -0.00526 0.01501 0.01679 0.02506 77 6PY -0.03271 -0.03342 -0.00846 -0.01961 -0.01390 78 6PZ -0.00798 0.02203 -0.02290 0.00022 0.00080 79 7D 0 -0.04152 -0.08403 -0.01049 0.05679 0.08756 80 7D+1 -0.06586 -0.07760 -0.03315 0.09218 0.09754 81 7D-1 -0.07338 0.18975 -0.01062 0.14722 -0.14635 82 7D+2 -0.15414 -0.12178 -0.07604 -0.04321 -0.18392 83 7D-2 0.20127 0.35931 0.04593 -0.11786 -0.09877 84 8D 0 -0.01232 -0.02760 -0.00430 0.01845 0.02800 85 8D+1 -0.02165 -0.02486 -0.00877 0.03019 0.03192 86 8D-1 -0.02230 0.06244 -0.00398 0.04672 -0.04597 87 8D+2 -0.04850 -0.03893 -0.02417 -0.01379 -0.05905 88 8D-2 0.06307 0.11420 0.01419 -0.03742 -0.03268 89 5 Cu 1S -0.00017 0.00015 0.00084 -0.00180 -0.00043 90 2S -0.01346 0.02286 -0.04384 0.01637 0.02279 91 3S -0.04623 0.08195 -0.00189 -0.01768 -0.00169 92 4PX -0.00117 0.00452 -0.00430 0.00422 0.00053 93 4PY -0.00048 0.00003 0.00760 0.00218 -0.00214 94 4PZ -0.00497 0.00495 -0.00230 0.00438 0.00040 95 5PX 0.00133 -0.02894 0.01400 -0.01134 0.00596 96 5PY -0.00616 0.00663 -0.04142 -0.00810 0.00736 97 5PZ 0.02583 -0.02197 -0.00653 -0.01137 0.00357 98 6PX -0.00779 -0.01005 0.00786 -0.01385 -0.00612 99 6PY 0.00078 0.01341 -0.01116 0.00371 0.01176 100 6PZ 0.01659 -0.00910 -0.01866 0.00165 0.00892 101 7D 0 0.14188 -0.06524 -0.22578 -0.27471 0.01553 102 7D+1 0.24704 -0.32905 0.08865 -0.01189 -0.03162 103 7D-1 -0.13364 0.04403 -0.32164 -0.05396 0.11358 104 7D+2 -0.16285 0.07027 -0.02351 -0.12458 0.19471 105 7D-2 0.08444 0.11111 -0.12178 0.35819 -0.20092 106 8D 0 0.04612 -0.02114 -0.07492 -0.09049 0.00532 107 8D+1 0.08045 -0.10633 0.02951 -0.00395 -0.01047 108 8D-1 -0.04370 0.01495 -0.10573 -0.01716 0.03840 109 8D+2 -0.05303 0.02242 -0.00766 -0.03855 0.06349 110 8D-2 0.02678 0.03632 -0.03985 0.11469 -0.06489 111 6 Cu 1S 0.00029 0.00181 -0.00192 0.00046 0.00069 112 2S -0.02142 -0.02216 0.05080 -0.03375 -0.01030 113 3S -0.02452 0.07551 0.08938 -0.02152 0.00476 114 4PX -0.00009 0.00028 -0.00691 0.00216 -0.00113 115 4PY -0.00453 -0.00093 0.00716 -0.00176 -0.00414 116 4PZ -0.00123 0.00035 -0.00182 0.00431 0.00407 117 5PX 0.00749 0.01259 0.03408 -0.01050 0.00674 118 5PY 0.02063 -0.00939 -0.03338 -0.00419 0.01269 119 5PZ -0.00351 -0.00264 0.00910 -0.01742 -0.02427 120 6PX -0.01589 0.00633 0.01306 -0.01027 -0.00022 121 6PY -0.00449 -0.00151 -0.01840 0.00480 0.00425 122 6PZ -0.03340 -0.00503 -0.00453 -0.01649 -0.02382 123 7D 0 -0.22047 0.08345 0.10778 -0.02236 0.21732 124 7D+1 0.16472 -0.01171 -0.24943 0.06700 0.03011 125 7D-1 0.07837 -0.09120 -0.14615 0.08890 -0.21426 126 7D+2 -0.07954 0.02099 0.09161 0.11251 -0.02195 127 7D-2 -0.03290 0.00324 0.43922 -0.13261 -0.20466 128 8D 0 -0.07198 0.02620 0.03545 -0.00887 0.06981 129 8D+1 0.05234 -0.00519 -0.08126 0.02264 0.00943 130 8D-1 0.02589 -0.03031 -0.04725 0.02811 -0.06811 131 8D+2 -0.02476 0.00783 0.02980 0.03803 -0.00661 132 8D-2 -0.01120 0.00015 0.14365 -0.04327 -0.06633 133 7 Cu 1S -0.00041 -0.00086 -0.00007 -0.00011 0.00069 134 2S 0.00088 -0.00324 0.00758 -0.00191 -0.00426 135 3S 0.01031 -0.05479 -0.00082 -0.00252 0.02906 136 4PX -0.00157 0.00005 0.00764 -0.00705 -0.00358 137 4PY 0.00397 0.00183 -0.00456 0.00643 0.00358 138 4PZ 0.00869 -0.00334 -0.00208 -0.00783 -0.00438 139 5PX 0.00341 -0.01008 -0.01922 0.02502 0.01015 140 5PY -0.01196 -0.00533 0.00333 -0.01393 -0.01115 141 5PZ -0.03499 0.01404 0.01852 0.03185 0.00471 142 6PX 0.00145 -0.00296 -0.01059 -0.00473 -0.00596 143 6PY 0.00620 0.02109 0.00813 0.00132 0.00774 144 6PZ -0.01474 0.03184 0.00067 0.00214 0.00335 145 7D 0 0.02728 0.07570 0.00396 0.02968 -0.10089 146 7D+1 0.12144 -0.01644 -0.15511 -0.06611 -0.02205 147 7D-1 0.16417 -0.06446 -0.24941 0.07931 -0.29871 148 7D+2 -0.15982 0.11387 0.01602 -0.03614 0.06533 149 7D-2 0.10600 -0.11640 0.02832 0.00264 0.08273 150 8D 0 0.00888 0.02507 0.00066 0.00966 -0.03253 151 8D+1 0.03975 -0.00365 -0.04909 -0.02126 -0.00854 152 8D-1 0.05127 -0.02097 -0.07841 0.02548 -0.09529 153 8D+2 -0.05135 0.03594 0.00507 -0.01222 0.02076 154 8D-2 0.03421 -0.03742 0.00750 0.00098 0.02768 155 8 Cu 1S 0.00061 -0.00018 -0.00069 0.00048 -0.00033 156 2S -0.00940 -0.01827 -0.00632 -0.00362 0.00020 157 3S 0.03313 -0.05386 -0.05371 0.02495 0.01024 158 4PX -0.00230 -0.00134 0.00196 -0.00452 0.00114 159 4PY -0.00026 -0.00286 -0.00217 -0.00097 0.00573 160 4PZ 0.00128 -0.00456 0.00303 -0.00085 -0.00233 161 5PX 0.00916 0.00438 0.01059 0.01704 -0.01233 162 5PY -0.01364 0.02389 0.00430 0.00638 -0.01991 163 5PZ -0.02262 0.02418 0.00088 -0.00683 0.01111 164 6PX -0.01686 0.01463 0.00149 0.00209 -0.01119 165 6PY 0.00155 0.03170 -0.00224 0.01040 0.00836 166 6PZ -0.01248 0.01519 0.01580 -0.00902 -0.00383 167 7D 0 0.02454 0.09343 0.03673 0.07212 0.18267 168 7D+1 0.01058 0.15737 0.07841 0.03545 -0.06205 169 7D-1 -0.25135 0.31024 -0.06969 -0.02810 -0.21489 170 7D+2 0.04303 -0.16216 0.04026 -0.30162 -0.02064 171 7D-2 0.03159 -0.18234 0.11864 0.25180 -0.10073 172 8D 0 0.00835 0.03124 0.01191 0.02384 0.05984 173 8D+1 0.00369 0.05071 0.02469 0.01107 -0.01987 174 8D-1 -0.08109 0.10125 -0.02274 -0.00865 -0.06986 175 8D+2 0.01352 -0.05227 0.01377 -0.09724 -0.00707 176 8D-2 0.01007 -0.05965 0.03824 0.08175 -0.03249 177 9 C 1S -0.00448 0.00144 -0.00877 -0.00685 -0.00609 178 2S 0.00885 -0.00326 0.01955 0.01508 0.01264 179 3S 0.02729 -0.00766 0.03667 0.03469 0.03594 180 4PX -0.00288 0.00940 -0.00555 -0.01109 -0.00522 181 4PY 0.01288 -0.00290 0.02770 0.01773 0.01603 182 4PZ -0.00163 0.00400 -0.01567 0.00462 0.00649 183 5PX 0.00368 0.00205 -0.00039 -0.00031 -0.00395 184 5PY 0.00227 -0.00378 0.00092 -0.00676 -0.00093 185 5PZ 0.00024 0.00004 -0.00358 -0.00358 0.00219 186 10 O 1S 0.00076 -0.00023 0.00172 0.00169 0.00123 187 2S -0.00190 0.00097 -0.00484 -0.00382 -0.00301 188 3S -0.00467 -0.00050 -0.00780 -0.01223 -0.00784 189 4PX 0.00427 -0.01141 0.00418 0.01341 0.00536 190 4PY -0.00757 0.00108 -0.02037 -0.01204 -0.00998 191 4PZ 0.00272 -0.00617 0.02310 -0.00663 -0.00842 192 5PX 0.00113 -0.00577 0.00191 0.00682 0.00371 193 5PY -0.00366 0.00016 -0.00754 -0.00420 -0.00397 194 5PZ 0.00082 -0.00328 0.01277 -0.00306 -0.00512 71 72 73 74 75 O O O O O EIGENVALUES -- -0.25952 -0.25859 -0.25749 -0.25666 -0.25440 1 1 Cu 1S -0.00072 -0.00009 -0.00129 0.00079 0.00121 2 2S -0.00247 -0.00052 0.00560 -0.00223 0.01718 3 3S -0.05635 0.00909 -0.09427 0.05546 0.07085 4 4PX -0.00270 0.00213 -0.00146 -0.00167 0.00086 5 4PY -0.00020 -0.00428 0.00274 0.00129 -0.00775 6 4PZ -0.00923 -0.01109 -0.00091 -0.00107 -0.00304 7 5PX 0.00512 -0.00564 0.01140 0.00467 -0.00998 8 5PY 0.01459 0.02224 -0.01283 -0.01541 0.02641 9 5PZ 0.02819 0.02739 -0.00360 -0.01043 0.00657 10 6PX -0.01785 -0.03262 0.01695 0.01508 0.01175 11 6PY 0.02934 0.03872 -0.00308 -0.02570 -0.02410 12 6PZ 0.09270 0.09866 -0.04878 -0.04735 -0.01583 13 7D 0 0.07163 0.07962 0.16158 -0.11842 0.03002 14 7D+1 -0.00133 -0.06902 0.19411 0.19137 0.05670 15 7D-1 -0.02184 -0.09108 0.13575 0.16036 -0.07058 16 7D+2 0.11360 0.15120 0.05417 -0.11313 -0.01787 17 7D-2 -0.00413 0.13306 -0.04693 -0.07082 0.28961 18 8D 0 0.02355 0.02473 0.05140 -0.03756 0.00841 19 8D+1 0.00094 -0.01977 0.05979 0.06077 0.01882 20 8D-1 -0.00532 -0.02883 0.04328 0.04982 -0.02257 21 8D+2 0.03558 0.04720 0.01607 -0.03538 -0.00603 22 8D-2 -0.00087 0.04040 -0.01507 -0.02165 0.09095 23 2 Cu 1S 0.00046 0.00086 0.00108 -0.00075 0.00051 24 2S 0.00165 -0.01080 -0.00297 0.01006 -0.00621 25 3S 0.04928 0.06052 0.02657 -0.06784 0.03745 26 4PX 0.00206 0.00022 -0.00604 0.00185 -0.00194 27 4PY -0.00059 0.00295 -0.00668 0.00526 0.00167 28 4PZ -0.00541 -0.00970 0.00099 -0.00342 -0.00560 29 5PX -0.00937 0.00248 0.02566 -0.01019 0.00798 30 5PY 0.01607 0.01037 0.01408 -0.02987 0.00543 31 5PZ 0.01078 0.03601 -0.00431 0.01058 0.02401 32 6PX 0.01351 0.02135 -0.01367 -0.00661 -0.00457 33 6PY 0.00540 0.00064 0.00364 -0.00460 0.00212 34 6PZ -0.03125 -0.00982 0.01895 -0.00961 0.00914 35 7D 0 -0.02640 -0.06441 -0.14207 0.07767 -0.05044 36 7D+1 0.08684 -0.02203 -0.02097 -0.06783 -0.07499 37 7D-1 -0.01407 -0.02283 0.03443 -0.08909 -0.00954 38 7D+2 -0.05796 -0.02446 0.00352 0.04807 0.00760 39 7D-2 0.00703 -0.02169 -0.04710 0.04961 0.00171 40 8D 0 -0.00800 -0.02095 -0.04153 0.02331 -0.01476 41 8D+1 0.02776 -0.00565 -0.00711 -0.01836 -0.02110 42 8D-1 -0.00529 -0.00828 0.01003 -0.02714 -0.00325 43 8D+2 -0.01908 -0.00765 -0.00011 0.01551 0.00280 44 8D-2 0.00244 -0.00692 -0.01670 0.01535 0.00020 45 3 Cu 1S 0.00083 0.00091 -0.00011 -0.00056 0.00033 46 2S -0.01795 -0.04595 0.02680 -0.02095 -0.02715 47 3S 0.03197 -0.02303 0.02531 -0.05851 -0.04353 48 4PX -0.00247 -0.00795 0.00657 -0.00312 -0.00174 49 4PY -0.00243 -0.00334 -0.00158 0.00759 -0.00007 50 4PZ 0.00333 0.00584 -0.00159 0.00202 0.00449 51 5PX 0.00413 0.03420 -0.03015 0.01609 0.00378 52 5PY 0.01942 0.01304 0.00833 -0.03760 -0.00156 53 5PZ -0.00817 -0.01755 -0.00232 -0.01078 -0.01404 54 6PX 0.00371 0.02432 -0.01120 -0.00069 -0.00262 55 6PY 0.02716 0.02424 -0.00936 -0.01770 -0.00154 56 6PZ -0.00239 -0.00071 0.01070 0.00192 -0.01426 57 7D 0 0.00002 -0.00808 0.01817 -0.07182 0.16319 58 7D+1 -0.22199 -0.27401 0.09478 -0.08429 -0.00646 59 7D-1 -0.15290 -0.16980 -0.05853 0.35995 0.02692 60 7D+2 -0.04761 0.18896 -0.24853 0.08914 0.06918 61 7D-2 -0.02808 -0.03801 0.13429 -0.05631 -0.03044 62 8D 0 -0.00071 -0.00357 0.00495 -0.02384 0.05342 63 8D+1 -0.07176 -0.08914 0.03148 -0.02725 -0.00261 64 8D-1 -0.04954 -0.05549 -0.02078 0.11837 0.00981 65 8D+2 -0.01513 0.06205 -0.08081 0.03000 0.02200 66 8D-2 -0.00983 -0.01129 0.04449 -0.01946 -0.00940 67 4 Cu 1S 0.00071 0.00110 -0.00107 -0.00040 -0.00008 68 2S -0.04260 -0.02628 0.01087 -0.00835 -0.00982 69 3S -0.00524 0.00479 -0.07625 -0.02172 0.01073 70 4PX -0.00378 -0.00071 -0.00193 -0.00407 0.00200 71 4PY 0.00469 -0.00057 -0.00248 -0.00022 -0.00171 72 4PZ 0.00127 0.00574 -0.00241 0.00249 -0.00405 73 5PX 0.02278 0.02669 -0.00184 0.02344 0.00050 74 5PY -0.01401 -0.00074 -0.00057 -0.00095 -0.00633 75 5PZ 0.00012 -0.03113 -0.00072 -0.01743 0.01498 76 6PX 0.00569 0.02354 0.00752 0.00700 0.00175 77 6PY -0.00628 0.00497 -0.00487 0.00696 -0.00904 78 6PZ 0.00451 -0.02509 -0.00403 0.00188 0.01464 79 7D 0 0.05188 0.28124 -0.04038 0.10624 -0.12108 80 7D+1 -0.26592 -0.04753 -0.18786 -0.07351 -0.03324 81 7D-1 0.08940 0.06067 -0.04141 -0.10337 0.00585 82 7D+2 -0.11348 -0.06716 -0.01261 -0.20828 -0.08476 83 7D-2 0.02231 -0.13948 -0.07082 -0.05138 -0.17601 84 8D 0 0.01717 0.08996 -0.01382 0.03528 -0.03986 85 8D+1 -0.08542 -0.01552 -0.06174 -0.02484 -0.01144 86 8D-1 0.02932 0.01848 -0.01318 -0.03341 0.00227 87 8D+2 -0.03631 -0.02219 -0.00439 -0.06602 -0.02690 88 8D-2 0.00728 -0.04400 -0.02404 -0.01728 -0.05690 89 5 Cu 1S -0.00191 -0.00098 0.00045 0.00048 -0.00035 90 2S 0.03332 0.03581 0.00983 -0.00987 0.01216 91 3S -0.01363 0.03451 0.01019 0.05061 -0.03622 92 4PX 0.00203 0.00599 0.00335 -0.00292 0.00404 93 4PY -0.00120 -0.00902 -0.00579 0.00133 0.00286 94 4PZ 0.00615 0.00132 -0.00111 0.00319 0.00004 95 5PX -0.00108 -0.02723 -0.01802 0.00479 -0.01611 96 5PY -0.00957 0.04453 0.01702 0.00709 -0.02413 97 5PZ -0.02323 0.00277 0.00251 -0.02279 0.00782 98 6PX 0.00150 -0.01675 -0.00035 -0.00281 -0.00268 99 6PY -0.02187 0.01646 0.01723 -0.00739 0.00234 100 6PZ -0.00921 0.00560 0.01511 -0.00226 0.01220 101 7D 0 -0.17414 0.15572 0.09755 0.01461 0.14063 102 7D+1 -0.18965 -0.21602 0.04332 -0.11916 -0.09150 103 7D-1 -0.03882 0.22407 0.23459 -0.02066 0.10382 104 7D+2 0.01333 0.03464 -0.23148 0.11001 -0.13172 105 7D-2 -0.01852 0.24239 0.16491 -0.03713 -0.25957 106 8D 0 -0.05568 0.05111 0.03280 0.00561 0.04514 107 8D+1 -0.06201 -0.07037 0.01383 -0.03815 -0.02964 108 8D-1 -0.01179 0.07330 0.07671 -0.00851 0.03378 109 8D+2 0.00391 0.01066 -0.07454 0.03464 -0.04254 110 8D-2 -0.00576 0.07820 0.05244 -0.01231 -0.08258 111 6 Cu 1S -0.00039 0.00002 0.00041 -0.00022 0.00006 112 2S -0.00952 0.01177 0.00100 -0.00461 0.01124 113 3S -0.06951 0.05418 0.03357 0.00654 0.01256 114 4PX 0.00452 -0.00205 -0.00133 0.00000 0.00787 115 4PY -0.00163 0.00315 0.00438 0.00079 0.00829 116 4PZ 0.00080 -0.00320 0.00703 -0.00071 0.00435 117 5PX -0.02570 0.01020 0.01508 0.00039 -0.04427 118 5PY 0.01226 -0.02166 -0.02205 -0.00535 -0.04511 119 5PZ -0.02372 0.01172 -0.03429 0.00250 -0.01983 120 6PX -0.00270 0.01022 0.00052 -0.00295 -0.01191 121 6PY 0.00412 -0.01986 -0.02112 0.00294 -0.01400 122 6PZ -0.02985 -0.00156 -0.01243 0.00392 -0.01349 123 7D 0 -0.11948 0.02502 0.11906 -0.25360 -0.14827 124 7D+1 0.30209 -0.16392 -0.01157 0.11520 0.09057 125 7D-1 -0.10373 -0.02358 -0.13117 0.08589 -0.02104 126 7D+2 -0.01727 0.12490 0.04142 -0.02255 0.44181 127 7D-2 -0.16091 0.22031 0.16528 0.22257 -0.02902 128 8D 0 -0.03905 0.00805 0.03869 -0.08109 -0.04793 129 8D+1 0.09793 -0.05245 -0.00312 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-0.03166 0.03775 15 7D-1 -0.13427 -0.07525 0.08200 0.06630 0.00905 16 7D+2 0.02961 -0.14832 0.01108 -0.01487 -0.01882 17 7D-2 -0.03273 0.01223 -0.11692 0.04712 0.02052 18 8D 0 -0.00169 0.01915 0.03140 0.02207 -0.00059 19 8D+1 -0.01386 -0.00679 -0.01840 -0.01112 0.01327 20 8D-1 -0.04464 -0.02583 0.02641 0.02365 0.00140 21 8D+2 0.01002 -0.05011 0.00555 -0.00596 -0.00769 22 8D-2 -0.00996 0.00314 -0.03868 0.01332 0.00723 23 2 Cu 1S -0.00079 -0.00023 0.00083 0.00085 -0.00130 24 2S 0.06464 -0.13424 0.10920 0.02180 -0.04316 25 3S -0.01897 -0.01789 0.03885 -0.01041 0.00803 26 4PX 0.00073 0.01020 0.04501 -0.03796 -0.04436 27 4PY -0.03000 0.03121 -0.00278 -0.00289 -0.01507 28 4PZ 0.03274 0.02684 -0.02781 -0.05294 0.01136 29 5PX -0.00033 -0.02746 -0.14637 0.14403 0.18376 30 5PY 0.06707 -0.09156 0.01254 -0.00542 0.03751 31 5PZ -0.09872 -0.08172 0.09433 0.20474 -0.06294 32 6PX -0.01791 0.01346 0.03922 -0.00747 -0.04309 33 6PY 0.01393 -0.03193 0.03211 0.02868 -0.03116 34 6PZ 0.07205 0.02667 -0.05361 -0.21763 0.08548 35 7D 0 -0.04101 0.08139 -0.00709 0.06791 -0.05345 36 7D+1 -0.00592 -0.00221 -0.01870 -0.02336 0.06504 37 7D-1 0.12695 -0.01618 0.01165 0.08831 -0.01879 38 7D+2 -0.05054 0.04105 -0.06047 0.01161 -0.12610 39 7D-2 -0.06447 0.08014 0.00171 0.07115 0.09427 40 8D 0 -0.01178 0.02685 -0.00447 0.01572 -0.01243 41 8D+1 -0.00529 0.00010 -0.00333 -0.00519 0.01318 42 8D-1 0.04378 -0.00377 0.00273 0.01866 -0.00527 43 8D+2 -0.01563 0.01456 -0.02354 0.00547 -0.02794 44 8D-2 -0.02175 0.02923 0.00219 0.01361 0.01779 45 3 Cu 1S -0.00117 -0.00008 -0.00355 -0.00194 0.00297 46 2S 0.28790 -0.09224 -0.19296 -0.07040 0.10302 47 3S 0.04806 -0.03678 -0.09501 -0.00851 -0.02001 48 4PX 0.01682 0.00905 0.00982 -0.00888 -0.02083 49 4PY 0.00173 -0.00536 0.00708 -0.02533 0.02517 50 4PZ -0.01053 0.01481 0.00266 -0.02339 0.01436 51 5PX -0.02294 -0.03512 -0.04326 0.01885 0.08840 52 5PY -0.00170 0.01480 -0.02896 0.07423 -0.09770 53 5PZ -0.00935 -0.03072 0.00554 0.09251 -0.10772 54 6PX -0.00046 0.00600 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-0.06732 0.12055 0.00369 75 5PZ -0.06732 0.01496 0.05168 0.05884 -0.00851 76 6PX 0.00911 -0.00004 -0.02320 -0.04437 0.02598 77 6PY -0.02503 -0.01065 -0.00197 0.15600 0.00824 78 6PZ -0.03509 -0.03054 -0.01349 0.02367 -0.04295 79 7D 0 0.16632 -0.00369 -0.07660 0.00440 -0.01362 80 7D+1 0.03324 0.09010 -0.00129 -0.02203 0.05635 81 7D-1 0.05400 -0.08668 0.09179 -0.03470 -0.01434 82 7D+2 -0.14354 0.09101 0.04603 0.00587 -0.03922 83 7D-2 -0.00018 0.01249 0.04316 -0.03051 0.02941 84 8D 0 0.05919 0.00008 -0.02449 0.00048 -0.00457 85 8D+1 0.01074 0.03265 0.00142 -0.00745 0.01484 86 8D-1 0.01854 -0.02875 0.03113 -0.01104 -0.00475 87 8D+2 -0.04568 0.03074 0.01561 -0.00043 -0.01212 88 8D-2 0.00028 0.00269 0.01434 -0.01061 0.00855 89 5 Cu 1S 0.00124 -0.00050 -0.00141 -0.00105 0.00294 90 2S -0.16059 -0.27878 0.03985 0.00948 0.06351 91 3S -0.00606 -0.06918 0.00547 -0.03254 0.05392 92 4PX -0.01148 0.00588 0.01837 -0.02131 0.00805 93 4PY 0.01205 -0.00772 0.03228 0.02672 0.01094 94 4PZ 0.00803 -0.01467 0.00984 0.02980 -0.01682 95 5PX 0.02373 -0.03327 -0.04883 0.07907 -0.03730 96 5PY -0.02886 0.02825 -0.09290 -0.07758 -0.04773 97 5PZ -0.04503 0.01275 -0.01320 -0.08819 0.06890 98 6PX -0.01297 -0.03471 -0.00413 0.05373 0.05014 99 6PY 0.02641 0.03284 -0.02579 -0.18539 0.03192 100 6PZ -0.00269 -0.00725 -0.00589 -0.08183 0.04076 101 7D 0 -0.16050 0.07139 -0.01997 -0.04842 0.01038 102 7D+1 -0.00390 -0.05119 -0.08725 0.00845 0.02684 103 7D-1 0.02954 0.04205 -0.06985 0.00146 -0.01586 104 7D+2 -0.06360 -0.00827 -0.08412 0.00906 -0.05499 105 7D-2 -0.06711 0.06078 -0.05388 -0.00248 0.02325 106 8D 0 -0.05472 0.02087 -0.00638 -0.01377 0.00362 107 8D+1 -0.00338 -0.02039 -0.02807 0.00337 0.00940 108 8D-1 0.00945 0.01685 -0.02478 -0.00138 -0.00508 109 8D+2 -0.02055 -0.00396 -0.02756 0.00366 -0.01619 110 8D-2 -0.02070 0.02066 -0.01774 -0.00035 0.00649 111 6 Cu 1S 0.00171 -0.00032 -0.00107 0.00366 0.00247 112 2S -0.07495 0.30756 -0.05266 0.16252 0.07312 113 3S 0.01958 0.02620 0.01265 0.04339 0.00275 114 4PX 0.00495 0.00082 0.01978 -0.00067 0.03526 115 4PY 0.00548 0.00750 0.02886 -0.00116 0.01350 116 4PZ 0.02714 0.00510 0.01471 0.02711 -0.01276 117 5PX -0.00028 -0.03436 -0.05398 -0.01929 -0.13432 118 5PY -0.02858 0.00646 -0.08717 0.02800 -0.03431 119 5PZ -0.08091 -0.01980 -0.04246 -0.10390 0.04651 120 6PX -0.00472 -0.01867 0.00421 -0.00643 -0.04260 121 6PY -0.01798 0.03128 -0.00223 0.05850 0.00272 122 6PZ -0.01634 -0.01910 0.02017 0.07004 -0.00547 123 7D 0 0.05579 -0.02533 0.04220 0.02176 -0.02892 124 7D+1 0.20960 0.02447 0.03412 0.02852 0.00684 125 7D-1 -0.10105 -0.05894 0.00427 -0.01481 0.03955 126 7D+2 0.04590 0.03299 0.13516 -0.01643 0.05318 127 7D-2 0.05700 -0.05747 0.02327 0.01256 -0.01535 128 8D 0 0.01840 -0.00872 0.01382 0.00613 -0.00873 129 8D+1 0.06865 0.01086 0.01195 0.00950 0.00315 130 8D-1 -0.03464 -0.01889 0.00160 -0.00473 0.01108 131 8D+2 0.01635 0.01089 0.04441 -0.00423 0.01625 132 8D-2 0.01956 -0.02209 0.00828 0.00162 -0.00513 133 7 Cu 1S 0.00101 0.00104 0.00066 -0.00248 0.00646 134 2S -0.08485 0.02827 0.27381 -0.05963 0.12735 135 3S 0.03658 0.02415 -0.01659 0.01337 0.16204 136 4PX 0.00398 0.03768 -0.00376 -0.00554 0.02837 137 4PY 0.01024 -0.02828 0.02648 -0.00902 -0.01449 138 4PZ 0.02805 0.02334 0.01931 0.01115 -0.02532 139 5PX -0.00170 -0.08691 -0.02447 0.02601 -0.09647 140 5PY -0.01855 0.06437 -0.07608 0.03702 0.02814 141 5PZ -0.07469 -0.06007 -0.02773 -0.04320 0.08126 142 6PX 0.00997 -0.03210 -0.03541 0.03177 -0.05995 143 6PY 0.01404 0.03278 -0.07711 -0.04087 0.06704 144 6PZ -0.03252 -0.01125 0.01804 -0.03232 0.06009 145 7D 0 -0.14133 -0.04364 -0.05673 0.05449 -0.01322 146 7D+1 0.18693 0.01610 0.00709 -0.00378 -0.04620 147 7D-1 0.06405 0.06848 -0.00171 0.08490 0.01285 148 7D+2 -0.04485 0.19451 -0.04533 -0.01553 -0.00459 149 7D-2 0.00533 0.01721 0.09501 0.02546 0.01901 150 8D 0 -0.04938 -0.01602 -0.01718 0.01650 -0.00347 151 8D+1 0.06388 0.00469 0.00065 -0.00118 -0.01383 152 8D-1 0.02172 0.02477 -0.00417 0.02555 0.00270 153 8D+2 -0.01534 0.06625 -0.01151 -0.00499 -0.00243 154 8D-2 0.00373 0.00381 0.03150 0.00753 0.00489 155 8 Cu 1S 0.00254 -0.00035 -0.00258 -0.00590 -0.00077 156 2S -0.21771 0.05278 -0.23228 -0.19927 -0.04937 157 3S 0.06630 -0.02807 -0.09540 -0.11182 0.00058 158 4PX 0.00200 0.02645 0.00814 0.00082 0.02726 159 4PY -0.01178 -0.01769 0.01184 -0.00487 0.01377 160 4PZ -0.00427 0.01877 -0.00857 0.03281 -0.02140 161 5PX -0.00127 -0.08092 -0.02968 -0.00044 -0.08882 162 5PY 0.00182 0.06151 -0.05337 -0.00598 -0.05328 163 5PZ -0.02996 -0.04197 0.00792 -0.14967 0.05627 164 6PX 0.00027 -0.00419 0.00956 0.04044 -0.00865 165 6PY 0.00097 0.01640 -0.02445 -0.10630 0.01288 166 6PZ -0.02222 -0.00668 -0.00934 0.00438 0.00730 167 7D 0 -0.03197 -0.10574 0.03825 -0.03590 0.05266 168 7D+1 -0.04791 -0.10252 -0.02400 0.00401 -0.04408 169 7D-1 -0.00517 -0.00178 -0.04261 -0.02581 0.01814 170 7D+2 -0.01216 -0.08871 0.05679 -0.01887 0.00269 171 7D-2 -0.04119 -0.08820 -0.04104 0.00975 -0.02565 172 8D 0 -0.01399 -0.03401 0.00872 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0.04248 0.07528 -0.02455 17 7D-2 0.00901 -0.00320 -0.02412 0.05101 -0.01199 18 8D 0 -0.02200 -0.01103 -0.00089 0.01921 0.00862 19 8D+1 0.00069 -0.03214 0.00068 -0.00439 -0.00343 20 8D-1 0.00561 0.00205 -0.01938 -0.01164 -0.00471 21 8D+2 -0.00511 -0.00295 0.01282 0.02384 -0.00808 22 8D-2 0.00240 -0.00239 -0.00520 0.01254 -0.00374 23 2 Cu 1S -0.00234 -0.00230 0.00242 0.00753 -0.00126 24 2S -0.10270 -0.07413 0.09069 0.24102 -0.03491 25 3S -0.02742 -0.01171 0.03703 0.11266 0.08364 26 4PX 0.00283 -0.01078 0.00227 -0.00062 -0.00507 27 4PY 0.03651 0.00125 -0.01252 -0.02962 0.00627 28 4PZ -0.02475 0.01159 0.00033 -0.00025 0.00283 29 5PX -0.01609 0.04810 0.01094 -0.01672 -0.00621 30 5PY -0.11530 0.00103 0.06057 0.13622 0.01989 31 5PZ 0.12504 -0.04079 0.04014 0.01015 -0.00264 32 6PX 0.04569 -0.04124 -0.06306 -0.04070 0.02613 33 6PY 0.01410 -0.05380 0.05298 0.07430 -0.03131 34 6PZ -0.25499 0.09128 -0.10202 0.13736 -0.01624 35 7D 0 -0.00787 -0.01890 0.04205 -0.06216 0.05690 36 7D+1 -0.03949 -0.04223 -0.02612 -0.03709 -0.01221 37 7D-1 0.11451 -0.05444 0.11576 0.01705 -0.00275 38 7D+2 0.03076 -0.02044 -0.04991 -0.05270 -0.03574 39 7D-2 -0.03701 0.05598 0.09579 -0.07554 -0.04715 40 8D 0 -0.00176 -0.00219 0.00676 -0.01609 0.01208 41 8D+1 -0.00697 -0.00847 -0.00614 -0.00854 -0.00330 42 8D-1 0.02467 -0.01124 0.02453 0.00679 -0.00189 43 8D+2 0.00869 -0.00238 -0.01296 -0.01749 -0.00718 44 8D-2 -0.00633 0.01218 0.01756 -0.02119 -0.00998 45 3 Cu 1S 0.01115 -0.00843 -0.00169 -0.00301 0.00271 46 2S 0.17767 -0.19778 -0.03584 -0.03678 -0.00548 47 3S 0.22411 -0.25607 -0.01751 -0.17255 0.12178 48 4PX -0.00325 0.03297 0.02702 0.00300 -0.05363 49 4PY -0.01992 0.00487 0.02089 0.04250 -0.00674 50 4PZ 0.04831 -0.00229 -0.00048 -0.02136 -0.01764 51 5PX 0.01978 -0.16253 -0.11598 -0.00932 0.19799 52 5PY 0.05002 -0.00400 -0.06518 -0.17025 0.03605 53 5PZ -0.19849 0.04411 0.03070 0.08576 0.08783 54 6PX 0.04435 -0.06382 -0.08285 -0.04237 0.20569 55 6PY 0.17560 -0.07307 -0.03530 -0.13129 0.04470 56 6PZ -0.08590 0.03023 -0.00399 0.05147 0.07299 57 7D 0 0.03639 0.02423 0.01420 -0.01283 -0.02291 58 7D+1 -0.04968 -0.02035 0.00063 -0.00064 -0.02278 59 7D-1 -0.01970 0.00292 0.02307 0.04299 -0.01580 60 7D+2 -0.03276 -0.03162 -0.02696 0.00614 0.02435 61 7D-2 0.01181 0.00362 -0.02355 -0.02827 -0.01824 62 8D 0 0.01253 0.00600 0.00555 -0.00327 -0.00740 63 8D+1 -0.01617 -0.00458 -0.00031 0.00055 -0.00618 64 8D-1 -0.00756 0.00276 0.00812 0.01399 -0.00364 65 8D+2 -0.00909 -0.00822 -0.00739 0.00138 0.00884 66 8D-2 0.00479 0.00032 -0.00693 -0.00840 -0.00525 67 4 Cu 1S 0.00645 0.01077 0.00624 -0.00169 0.00172 68 2S 0.07183 0.26929 0.14593 -0.02902 -0.00789 69 3S 0.15515 0.16673 0.15486 -0.02175 0.16011 70 4PX 0.01340 0.02599 -0.01204 -0.00790 0.05938 71 4PY -0.01180 -0.01190 0.03515 0.03167 0.02695 72 4PZ 0.04787 0.02806 0.00972 0.00460 -0.01994 73 5PX -0.03299 -0.12589 0.03276 0.00435 -0.20317 74 5PY 0.02219 0.02887 -0.14219 -0.07926 -0.09377 75 5PZ -0.18189 -0.14476 -0.06062 -0.00790 0.09082 76 6PX -0.07083 -0.09710 -0.18519 0.01085 -0.11410 77 6PY 0.08271 -0.02171 0.09189 -0.12873 -0.13187 78 6PZ -0.05525 -0.07041 0.05085 0.02245 -0.04170 79 7D 0 0.01610 0.01642 -0.02406 0.03740 0.00554 80 7D+1 0.06492 -0.01718 -0.00899 -0.02965 0.02661 81 7D-1 0.01102 -0.01888 0.01764 0.02111 0.02477 82 7D+2 0.00420 0.02478 -0.01391 -0.00219 -0.01172 83 7D-2 -0.01593 0.01593 -0.01133 0.07119 -0.00495 84 8D 0 0.00376 0.00705 -0.00646 0.01003 0.00257 85 8D+1 0.01784 -0.00145 -0.00119 -0.01002 0.00833 86 8D-1 0.00211 -0.00465 0.00571 0.00937 0.00811 87 8D+2 0.00216 0.00664 -0.00302 -0.00279 -0.00357 88 8D-2 -0.00653 0.00377 -0.00262 0.01947 0.00079 89 5 Cu 1S 0.00600 0.00858 -0.00949 0.00260 -0.00248 90 2S 0.11529 0.19244 -0.17695 0.03638 -0.08828 91 3S 0.04977 0.16835 -0.28441 0.09879 -0.00196 92 4PX -0.00399 -0.03376 0.01189 -0.03627 -0.04216 93 4PY 0.02052 -0.01935 -0.01404 0.03588 -0.02817 94 4PZ -0.04162 -0.02784 0.01760 0.01678 0.00881 95 5PX 0.01932 0.14781 -0.07074 0.14948 0.13395 96 5PY -0.07083 0.04227 0.07600 -0.13091 0.12236 97 5PZ 0.17929 0.14486 -0.06678 -0.03853 -0.06512 98 6PX 0.04373 0.05383 0.00925 0.09561 0.18672 99 6PY -0.22343 0.06444 -0.09907 0.02917 0.12212 100 6PZ 0.00767 0.10063 -0.15623 0.02054 -0.06685 101 7D 0 0.03915 -0.00462 -0.01132 -0.04901 0.00445 102 7D+1 0.02108 0.01101 -0.00559 0.01119 0.02701 103 7D-1 -0.05110 0.00899 -0.04040 -0.03528 0.00521 104 7D+2 0.00341 0.04235 0.03139 0.01107 0.02676 105 7D-2 -0.00787 0.00911 0.01610 -0.00771 -0.03313 106 8D 0 0.01175 -0.00033 -0.00576 -0.01604 -0.00038 107 8D+1 0.00788 0.00454 -0.00238 0.00257 0.00820 108 8D-1 -0.01636 0.00433 -0.01019 -0.00960 0.00132 109 8D+2 0.00080 0.01272 0.00806 0.00185 0.00931 110 8D-2 -0.00320 0.00212 0.00373 -0.00364 -0.00810 111 6 Cu 1S 0.00323 -0.00118 -0.00656 0.01192 -0.00122 112 2S 0.01878 -0.04161 -0.16688 0.15338 -0.06252 113 3S 0.05473 -0.02852 -0.16267 0.31720 0.05593 114 4PX 0.02055 -0.00044 -0.01758 0.03795 0.03475 115 4PY -0.01661 0.01052 0.00584 -0.05731 0.02196 116 4PZ 0.01216 0.04709 -0.02360 -0.01087 0.00648 117 5PX -0.06857 0.00581 0.09348 -0.16966 -0.09350 118 5PY 0.04210 -0.02802 -0.04961 0.23960 -0.10004 119 5PZ -0.04548 -0.17302 0.09727 0.03379 -0.00099 120 6PX -0.01275 0.02739 0.12213 -0.16288 -0.13411 121 6PY 0.08245 0.01497 0.04257 0.12605 -0.09540 122 6PZ 0.02849 -0.01518 0.18286 -0.01931 -0.01931 123 7D 0 -0.05381 -0.01104 -0.01677 -0.01483 0.03447 124 7D+1 0.01233 -0.00262 -0.02442 -0.01132 -0.01565 125 7D-1 -0.01602 -0.04887 -0.03657 -0.03875 -0.01345 126 7D+2 0.00148 -0.00677 0.01431 0.01307 0.02784 127 7D-2 -0.03205 0.00675 -0.00272 -0.00797 -0.05736 128 8D 0 -0.01565 -0.00157 -0.00270 -0.00392 0.00761 129 8D+1 0.00405 -0.00178 -0.00689 -0.00185 -0.00422 130 8D-1 -0.00379 -0.01225 -0.00860 -0.01051 -0.00410 131 8D+2 -0.00009 -0.00262 0.00307 0.00414 0.01002 132 8D-2 -0.00999 0.00279 0.00029 -0.00311 -0.01574 133 7 Cu 1S 0.00180 -0.00506 -0.00109 -0.00648 0.00490 134 2S -0.05641 -0.17873 0.00266 -0.17044 0.06322 135 3S 0.09852 -0.01736 -0.10163 -0.14359 0.17478 136 4PX 0.01527 -0.00468 -0.00611 -0.01495 0.05602 137 4PY 0.01815 -0.00711 0.00595 0.02320 0.01616 138 4PZ -0.02426 0.02140 0.02031 0.02178 0.03492 139 5PX -0.03169 0.06187 0.00290 0.05487 -0.21008 140 5PY -0.04489 0.03532 -0.02523 -0.03382 -0.05828 141 5PZ 0.05987 -0.09040 -0.07883 -0.07675 -0.11285 142 6PX -0.00804 0.02346 0.04206 0.05697 -0.10199 143 6PY -0.08908 0.13198 0.01913 0.01239 -0.14698 144 6PZ 0.00031 0.02088 0.04692 0.04792 0.07567 145 7D 0 -0.01805 -0.05765 -0.02162 0.02163 -0.00436 146 7D+1 -0.05220 -0.05691 0.03370 0.03224 -0.01573 147 7D-1 -0.00428 0.03059 -0.04685 -0.02643 -0.01504 148 7D+2 0.01105 -0.02262 0.00310 -0.02110 -0.01466 149 7D-2 0.04582 -0.03219 -0.02045 0.06931 0.00080 150 8D 0 -0.00495 -0.01627 -0.00477 0.00510 -0.00145 151 8D+1 -0.01521 -0.01457 0.01023 0.01301 -0.00655 152 8D-1 0.00013 0.01028 -0.01151 -0.00751 -0.00490 153 8D+2 0.00405 -0.00819 -0.00117 -0.01009 -0.00634 154 8D-2 0.01356 -0.01042 -0.00384 0.02012 0.00253 155 8 Cu 1S 0.00548 -0.00137 0.00966 0.00542 0.00279 156 2S 0.03502 -0.01372 0.22424 0.02675 0.01341 157 3S 0.06700 0.00158 0.25843 0.25800 0.08065 158 4PX 0.00395 -0.04315 0.00219 0.02559 -0.03952 159 4PY -0.00894 0.01281 -0.02285 -0.05017 -0.01694 160 4PZ -0.03089 -0.01418 -0.02302 -0.01249 -0.01225 161 5PX -0.01463 0.13987 -0.01219 -0.10638 0.14877 162 5PY 0.01459 -0.03744 0.11688 0.17251 0.06216 163 5PZ 0.09558 0.06605 0.14614 0.04277 0.03818 164 6PX 0.02636 0.08902 0.10567 -0.01953 0.07563 165 6PY -0.04044 0.03031 0.00491 0.16236 0.06634 166 6PZ 0.10447 -0.01592 0.13836 0.03395 0.05053 167 7D 0 0.01990 -0.01018 -0.00423 0.02052 0.01963 168 7D+1 -0.01847 0.01297 0.01364 -0.03450 0.03064 169 7D-1 0.06042 0.00918 -0.02475 0.01932 -0.01339 170 7D+2 0.00174 0.01227 0.00435 -0.02740 -0.04713 171 7D-2 -0.00055 0.04575 -0.01720 0.04281 0.00230 172 8D 0 0.00799 -0.00404 -0.00046 0.00463 0.00420 173 8D+1 -0.00705 0.00635 0.00427 -0.00729 0.00889 174 8D-1 0.01902 0.00023 -0.00457 0.00670 -0.00124 175 8D+2 0.00000 0.00315 0.00085 -0.00844 -0.01360 176 8D-2 -0.00161 0.01221 -0.00369 0.01032 0.00361 177 9 C 1S 0.00029 -0.00909 0.00795 0.03283 0.00172 178 2S -0.00235 0.02332 -0.02028 -0.08554 -0.00720 179 3S -0.01449 0.04433 -0.03045 -0.16123 -0.00033 180 4PX -0.12812 0.13743 0.29584 -0.08229 -0.03286 181 4PY -0.07723 0.07394 -0.00367 -0.08610 -0.01928 182 4PZ 0.31999 -0.14370 0.34034 -0.06225 0.04144 183 5PX -0.07705 0.08278 0.17302 -0.06576 -0.02265 184 5PY -0.04224 0.02897 0.01258 0.00109 -0.00464 185 5PZ 0.18184 -0.08836 0.21523 -0.02353 0.02879 186 10 O 1S 0.00134 0.00237 -0.00294 -0.00843 0.00105 187 2S -0.00478 -0.00667 0.00864 0.02433 -0.00300 188 3S -0.00232 -0.01351 0.01568 0.04857 -0.00523 189 4PX 0.09018 -0.09370 -0.19183 0.04986 0.02079 190 4PY 0.05098 -0.04973 0.00502 0.05983 0.00963 191 4PZ -0.22596 0.09730 -0.21880 0.03892 -0.02337 192 5PX 0.06782 -0.07169 -0.14675 0.04393 0.01615 193 5PY 0.03930 -0.03220 -0.00197 0.02928 0.00738 194 5PZ -0.16627 0.07508 -0.17296 0.02627 -0.02037 91 92 93 94 95 V V V V V EIGENVALUES -- -0.02482 -0.01851 -0.00348 0.00349 0.01709 1 1 Cu 1S 0.00362 0.00106 -0.00246 -0.00396 0.00018 2 2S 0.02378 0.03288 -0.05989 -0.10592 0.00369 3 3S 0.07013 -0.02932 -0.04621 -0.52470 0.26678 4 4PX -0.01145 -0.01793 0.04522 0.01670 -0.00470 5 4PY -0.03944 0.02364 -0.01471 0.02420 0.01500 6 4PZ 0.03622 0.06868 0.01763 -0.00140 0.01056 7 5PX 0.03400 0.05580 -0.09860 -0.05415 0.04393 8 5PY 0.20323 -0.06834 0.00905 -0.02338 -0.07512 9 5PZ -0.08537 -0.16128 -0.01834 -0.00920 -0.03648 10 6PX 0.25566 -0.14239 -0.04419 -0.12437 -0.23686 11 6PY -0.02659 0.11266 -0.05365 -0.05600 0.45418 12 6PZ -0.13186 0.18099 -0.28055 0.03662 1.19434 13 7D 0 0.02053 -0.02649 0.04806 0.01173 0.02353 14 7D+1 -0.00910 -0.00731 -0.01752 -0.01636 0.01661 15 7D-1 0.00032 -0.02116 -0.03268 0.03905 0.04260 16 7D+2 0.05004 -0.03124 -0.03389 0.00461 -0.02062 17 7D-2 -0.00983 -0.01102 -0.00405 -0.03770 0.00417 18 8D 0 0.00595 -0.00722 0.01481 0.00437 0.00877 19 8D+1 -0.00343 -0.00103 -0.00624 -0.00619 0.00568 20 8D-1 0.00154 -0.00449 -0.01097 0.01287 0.01376 21 8D+2 0.01557 -0.01101 -0.01162 0.00246 -0.00814 22 8D-2 -0.00231 -0.00211 -0.00266 -0.01255 0.00253 23 2 Cu 1S -0.00176 0.00010 -0.00075 0.00360 -0.00115 24 2S 0.00128 0.00477 -0.03355 0.08756 -0.01246 25 3S 0.06147 0.15720 -0.34425 0.58556 0.12781 26 4PX 0.02009 -0.01345 0.01405 0.01719 -0.01419 27 4PY 0.00477 -0.00946 0.00504 -0.00226 -0.00205 28 4PZ -0.01274 0.02515 0.00986 -0.02359 -0.03771 29 5PX -0.08759 0.03003 0.00905 -0.03505 0.07873 30 5PY 0.04988 0.02778 -0.05386 0.02735 -0.00120 31 5PZ 0.06170 -0.04422 -0.00521 0.03872 0.10176 32 6PX -0.02259 0.02716 0.05156 -0.06996 0.48621 33 6PY -0.15332 0.16379 -0.27041 0.38211 -0.16701 34 6PZ 0.03817 0.02559 0.10637 0.04457 -0.21219 35 7D 0 -0.03051 0.05420 0.00247 0.01912 -0.00625 36 7D+1 0.03775 -0.00792 -0.01059 0.04412 -0.02929 37 7D-1 -0.00981 0.04143 0.03696 -0.04578 -0.05620 38 7D+2 -0.07662 0.06803 -0.04068 -0.00933 0.01011 39 7D-2 0.02821 -0.00835 0.02319 0.03557 -0.01105 40 8D 0 -0.00720 0.01325 0.00518 0.00309 -0.00141 41 8D+1 0.00637 -0.00312 -0.00223 0.00810 -0.00316 42 8D-1 0.00141 0.01354 0.00859 -0.01098 -0.01178 43 8D+2 -0.01533 0.01628 -0.00917 -0.00852 0.00394 44 8D-2 0.00473 -0.00259 0.01022 0.00625 -0.00219 45 3 Cu 1S -0.00413 -0.00378 0.00371 0.00432 -0.00296 46 2S -0.05336 0.05808 0.01574 -0.01212 -0.09647 47 3S -0.08346 -0.00140 -0.01343 -0.12220 -0.21015 48 4PX 0.01353 0.02416 -0.01604 -0.03292 -0.00315 49 4PY -0.03391 -0.02524 0.01310 -0.01253 -0.04545 50 4PZ -0.01139 -0.06276 0.01487 0.01937 -0.00630 51 5PX -0.06625 -0.09578 0.10097 0.16949 0.01471 52 5PY 0.13786 0.11130 -0.06946 0.07685 0.23097 53 5PZ 0.07042 0.25865 -0.07838 -0.11521 0.03125 54 6PX -0.09806 -0.08672 0.24707 0.36172 0.36877 55 6PY 0.10694 0.18069 -0.23044 0.17023 0.81766 56 6PZ 0.05962 0.41508 -0.10306 -0.32955 -0.05252 57 7D 0 0.01565 -0.00249 0.02490 -0.00606 -0.01355 58 7D+1 0.00222 0.01830 0.03958 0.03201 -0.01432 59 7D-1 -0.02308 -0.00187 -0.00535 0.03141 0.01240 60 7D+2 0.01650 -0.00017 -0.00811 -0.00465 -0.01590 61 7D-2 0.00435 0.01084 0.01077 0.00933 0.00678 62 8D 0 0.00325 -0.00094 0.00449 -0.00202 -0.00412 63 8D+1 0.00038 0.00256 0.00912 0.00765 -0.00118 64 8D-1 -0.00628 -0.00211 -0.00054 0.00690 -0.00008 65 8D+2 0.00218 0.00115 -0.00407 -0.00037 -0.00265 66 8D-2 0.00046 0.00374 0.00138 0.00135 0.00155 67 4 Cu 1S -0.00041 -0.00240 -0.00322 -0.00262 0.00476 68 2S -0.01798 0.04711 0.06340 0.00805 0.06093 69 3S 0.16311 0.04298 0.26698 -0.11343 0.38487 70 4PX -0.01023 -0.02735 -0.00409 0.01981 0.02030 71 4PY 0.00377 -0.02509 -0.00136 -0.02399 -0.01496 72 4PZ 0.00574 -0.01830 -0.05436 -0.03772 0.01580 73 5PX 0.02980 0.07877 0.08423 -0.06524 -0.08088 74 5PY -0.00658 0.10429 -0.02694 0.16244 0.05383 75 5PZ 0.03560 0.12541 0.24705 0.12542 -0.13002 76 6PX -0.00156 0.24463 0.17442 0.00682 0.19780 77 6PY -0.02834 0.07786 -0.01679 0.24468 -0.16940 78 6PZ 0.02635 0.10733 0.39469 0.24459 -0.75480 79 7D 0 0.02824 0.04542 -0.01277 -0.01216 -0.04065 80 7D+1 -0.01188 -0.00207 0.02267 -0.01354 -0.02799 81 7D-1 0.04470 0.00234 -0.02355 0.04166 0.00549 82 7D+2 0.02929 -0.04410 0.02624 0.02100 -0.01103 83 7D-2 -0.04914 -0.01214 -0.00501 0.02844 -0.03927 84 8D 0 0.01003 0.01558 -0.00397 -0.00521 -0.01105 85 8D+1 -0.00298 0.00003 0.00679 -0.00438 -0.00545 86 8D-1 0.01158 -0.00038 -0.00631 0.01184 -0.00106 87 8D+2 0.00656 -0.01244 0.00942 0.00720 -0.00190 88 8D-2 -0.01104 -0.00382 -0.00235 0.00671 -0.00934 89 5 Cu 1S 0.00040 0.00203 0.00526 -0.00246 0.00050 90 2S -0.05091 -0.05555 -0.04231 0.02389 0.00299 91 3S 0.15663 -0.12487 -0.13478 -0.09941 -0.02209 92 4PX 0.01392 -0.00675 -0.02943 0.02474 -0.01614 93 4PY 0.04649 -0.00094 0.02535 -0.00281 0.03823 94 4PZ -0.01141 -0.03633 -0.03824 0.01337 0.03516 95 5PX -0.08005 0.02037 0.17301 -0.10188 0.08546 96 5PY -0.14685 0.02307 -0.13397 0.05845 -0.17050 97 5PZ 0.02391 0.15947 0.20907 -0.03467 -0.15613 98 6PX -0.10192 -0.00557 0.35212 -0.22908 0.26043 99 6PY -0.10859 0.00182 -0.16880 0.19030 -0.38178 100 6PZ 0.11920 0.21783 0.45881 -0.13034 -0.30945 101 7D 0 0.01688 -0.03077 -0.00428 -0.01835 0.00420 102 7D+1 -0.00421 0.03037 -0.03948 -0.02287 0.00898 103 7D-1 -0.00998 -0.02371 0.00256 -0.05555 -0.00299 104 7D+2 -0.00393 -0.02087 0.00433 0.00611 -0.01688 105 7D-2 -0.05671 0.00683 0.01779 -0.01278 0.03196 106 8D 0 0.00347 -0.00781 -0.00212 -0.00437 -0.00204 107 8D+1 -0.00195 0.00630 -0.01220 -0.00558 0.00077 108 8D-1 -0.00631 -0.00667 0.00214 -0.01443 -0.00099 109 8D+2 -0.00184 -0.00516 -0.00044 -0.00155 -0.00508 110 8D-2 -0.01500 0.00175 0.00404 -0.00420 0.00436 111 6 Cu 1S -0.00117 -0.00034 -0.00257 0.00145 -0.00677 112 2S -0.08236 -0.03096 0.09051 -0.01074 -0.05984 113 3S 0.04090 -0.05172 0.20045 -0.17253 -0.21116 114 4PX -0.02343 0.02355 -0.03666 0.01165 -0.01151 115 4PY -0.04073 0.02279 0.02700 0.00772 0.02805 116 4PZ 0.01604 0.01023 -0.00055 0.04897 -0.03091 117 5PX 0.12065 -0.06892 0.16889 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3S 0.08588 -0.06262 0.05239 0.00216 -0.13752 158 4PX -0.00871 0.01758 0.00643 -0.02266 0.05055 159 4PY -0.05179 0.00096 -0.02384 -0.00724 -0.01927 160 4PZ 0.00328 -0.05921 0.00914 -0.04436 -0.00851 161 5PX 0.03919 -0.06587 0.02370 0.08827 -0.21931 162 5PY 0.19613 -0.01248 0.07107 0.06838 0.08864 163 5PZ -0.00945 0.25050 0.00480 0.19924 0.08810 164 6PX 0.05026 -0.14272 0.09780 0.14411 -0.87961 165 6PY 0.24564 0.01441 0.14778 0.24750 0.18336 166 6PZ 0.02258 0.29247 0.02921 0.35800 0.26925 167 7D 0 -0.02516 0.00001 -0.04357 -0.00231 0.00330 168 7D+1 0.02450 -0.00902 -0.04349 -0.00817 0.02264 169 7D-1 0.03365 0.01401 -0.00438 -0.01899 -0.04071 170 7D+2 0.01455 -0.01126 -0.00860 0.04010 -0.00748 171 7D-2 -0.01477 -0.01949 -0.01635 -0.00052 -0.01510 172 8D 0 -0.00945 0.00057 -0.01357 0.00085 -0.00071 173 8D+1 0.00714 -0.00446 -0.01221 -0.00027 0.00035 174 8D-1 0.01077 0.00155 -0.00088 -0.00448 -0.01000 175 8D+2 0.00101 -0.00251 -0.00637 0.01007 -0.00201 176 8D-2 -0.00075 -0.00403 -0.00644 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0.03391 0.03596 1 1 Cu 1S -0.00067 0.00063 0.00126 0.00168 -0.00166 2 2S 0.08000 0.12081 0.02529 0.02259 0.11713 3 3S 1.23312 1.83322 0.38710 0.37599 1.85717 4 4PX 0.00642 0.01331 -0.00167 0.00486 0.01770 5 4PY 0.01562 0.02108 -0.00067 -0.01124 0.00177 6 4PZ 0.00856 -0.00473 0.00902 -0.00882 -0.00308 7 5PX -0.07401 -0.08073 0.03272 0.01737 -0.21473 8 5PY -0.13585 -0.12635 -0.00026 0.06912 -0.10871 9 5PZ -0.04888 0.02136 -0.11357 0.04713 0.03490 10 6PX -0.05786 0.67384 -0.29126 0.42538 -0.26781 11 6PY 0.15609 -0.16833 0.60550 0.60658 -0.15860 12 6PZ 0.28820 -0.96987 0.99556 -0.14217 0.34036 13 7D 0 0.00797 -0.00821 0.00060 0.05319 0.02441 14 7D+1 0.00458 -0.03657 0.03899 0.00385 0.00452 15 7D-1 0.00907 0.01781 0.00136 -0.01086 -0.00518 16 7D+2 -0.00421 0.00233 -0.00476 0.00433 0.01190 17 7D-2 0.01051 -0.04155 -0.03303 0.01692 0.02549 18 8D 0 0.00081 0.00148 0.00013 0.01494 0.01244 19 8D+1 0.00031 -0.01207 0.01054 0.00144 -0.00228 20 8D-1 0.00718 0.00611 -0.00072 -0.00328 0.00190 21 8D+2 -0.00374 -0.00156 -0.00046 0.00297 0.00443 22 8D-2 0.00330 -0.01101 -0.01065 0.00401 0.00950 23 2 Cu 1S -0.00017 -0.00201 -0.00121 0.00186 0.00256 24 2S -0.02441 -0.02429 0.00494 0.07418 0.08220 25 3S -0.68631 0.11877 0.37510 1.59731 1.31274 26 4PX -0.00883 0.01396 0.03254 -0.01806 -0.00150 27 4PY -0.01463 -0.01423 -0.00253 -0.00138 -0.00446 28 4PZ -0.00578 -0.00345 0.02298 0.01494 -0.01077 29 5PX 0.01679 -0.04224 -0.08776 0.10129 -0.04144 30 5PY 0.02870 0.03752 0.01142 -0.00236 -0.01081 31 5PZ 0.01837 0.02709 -0.12670 -0.08857 0.03694 32 6PX 0.45304 -0.02735 0.20944 -0.18994 -0.21730 33 6PY -1.01207 -0.82440 -0.09398 1.28743 0.94807 34 6PZ -0.29214 -0.10561 -0.74452 0.22094 0.11659 35 7D 0 0.00580 0.02222 0.03648 0.00106 0.01365 36 7D+1 0.03000 -0.01731 -0.01794 0.00554 0.00327 37 7D-1 0.01225 -0.01290 0.01077 0.00509 -0.01548 38 7D+2 0.00634 0.03482 -0.01416 0.00945 0.01083 39 7D-2 -0.03753 0.03202 0.03761 -0.00889 0.00198 40 8D 0 0.00194 0.00846 0.00911 -0.00299 0.00300 41 8D+1 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7D-2 0.03434 0.00089 -0.04629 0.00153 0.00377 62 8D 0 -0.00427 -0.00765 0.00092 -0.00033 -0.01233 63 8D+1 0.00419 0.01107 0.00756 -0.00055 0.00794 64 8D-1 -0.00623 -0.00371 0.00027 0.00464 0.00065 65 8D+2 -0.00118 -0.00278 -0.00111 0.00164 0.00709 66 8D-2 0.00637 0.00143 -0.00807 -0.00148 0.00116 67 4 Cu 1S 0.00061 -0.00490 0.00160 0.00167 0.00084 68 2S -0.00394 -0.04752 0.04128 -0.00112 -0.08768 69 3S 0.26311 0.06533 0.50630 0.14674 -1.27377 70 4PX 0.01087 -0.03749 -0.00601 0.00366 0.01292 71 4PY -0.03103 -0.00444 0.05027 -0.00011 -0.00298 72 4PZ -0.00389 -0.02308 -0.01268 0.01737 -0.03117 73 5PX -0.06760 0.18236 0.04306 -0.01527 -0.16826 74 5PY 0.09493 0.01823 -0.21935 0.02939 -0.01968 75 5PZ -0.00340 0.09048 0.02460 -0.11407 0.09800 76 6PX -0.18508 -0.07740 0.24613 -0.06114 -0.59915 77 6PY 0.17988 0.11217 -0.76721 -0.27920 0.00686 78 6PZ -0.32471 0.28148 -0.37193 -0.80099 -0.10746 79 7D 0 0.02198 -0.03134 0.01125 -0.01183 0.01081 80 7D+1 -0.05496 0.00927 -0.03843 -0.03206 -0.02815 81 7D-1 -0.01586 0.00050 0.00087 -0.02292 -0.01319 82 7D+2 0.00696 -0.00766 0.02124 0.01268 -0.00448 83 7D-2 0.01151 -0.00801 -0.01631 0.02451 -0.01324 84 8D 0 0.00467 -0.00933 -0.00070 -0.00211 0.00340 85 8D+1 -0.01468 -0.00131 -0.00975 -0.00704 -0.01241 86 8D-1 -0.00660 -0.00043 0.00426 -0.00381 -0.00711 87 8D+2 -0.00054 -0.00169 0.00436 0.00391 -0.00120 88 8D-2 0.00022 -0.00384 -0.00419 0.00744 -0.00155 89 5 Cu 1S -0.00526 -0.00088 0.00189 -0.00036 0.00163 90 2S -0.05826 -0.02989 0.00081 -0.08918 -0.01374 91 3S -0.06150 0.06076 -0.09603 -0.82332 -0.30206 92 4PX 0.03662 -0.01276 0.01712 0.01397 -0.01576 93 4PY -0.00787 -0.02237 -0.02035 0.00585 0.01106 94 4PZ 0.01256 0.01897 -0.03064 0.00324 0.00403 95 5PX -0.17760 0.06760 -0.05794 -0.05096 0.01595 96 5PY -0.00039 0.09707 0.08278 -0.00594 -0.06696 97 5PZ -0.07710 -0.03992 0.15562 0.03460 0.05661 98 6PX -0.37044 0.59884 -0.00097 0.23380 -0.30537 99 6PY 0.02247 0.18125 -0.21709 -0.13521 -0.42035 100 6PZ -0.04748 0.10333 0.50614 0.58533 0.55096 101 7D 0 -0.01214 -0.01778 -0.02434 -0.01130 -0.04712 102 7D+1 0.02174 -0.03037 -0.01323 0.00851 -0.00230 103 7D-1 -0.00437 0.01435 0.00921 0.01902 0.01166 104 7D+2 0.01452 -0.01041 -0.00803 -0.03151 0.04603 105 7D-2 0.00873 -0.00484 0.01003 -0.00432 0.00701 106 8D 0 -0.00239 -0.00754 -0.00224 -0.00241 -0.01493 107 8D+1 0.00195 -0.00643 -0.00523 -0.00188 0.00142 108 8D-1 0.00116 0.00631 0.00147 0.00325 0.00420 109 8D+2 0.00251 -0.00161 -0.00277 -0.00585 0.01216 110 8D-2 0.00161 0.00034 0.00361 0.00070 0.00129 111 6 Cu 1S 0.00002 0.00140 0.00242 -0.00206 -0.00090 112 2S -0.01972 -0.04242 -0.01980 0.00683 0.04736 113 3S 0.07837 -0.05874 -0.33271 0.34198 0.40147 114 4PX -0.00860 0.00858 0.00035 -0.02588 -0.01745 115 4PY 0.00138 0.01551 -0.02268 -0.00230 0.00434 116 4PZ 0.04088 -0.00468 -0.02144 -0.00309 0.00372 117 5PX 0.02883 -0.07223 -0.03136 0.14758 0.04442 118 5PY -0.02090 -0.03785 0.13124 0.01267 -0.06412 119 5PZ -0.17575 0.04504 0.05535 0.01560 -0.00098 120 6PX 0.02469 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-0.00072 -0.00187 45 3 Cu 1S -0.00200 -0.00123 -0.00208 0.00120 -0.00130 46 2S -0.04031 -0.00939 0.02122 -0.02220 0.00530 47 3S -0.93242 -0.00437 1.52487 -0.62466 0.53368 48 4PX 0.01036 -0.03041 -0.01778 0.01220 0.01173 49 4PY -0.03281 0.00140 0.01720 -0.01819 0.01842 50 4PZ -0.01424 0.00151 0.05401 -0.00635 -0.01185 51 5PX -0.02717 0.18632 0.03250 -0.03999 -0.08088 52 5PY 0.19822 -0.01335 -0.07994 0.10174 -0.12903 53 5PZ 0.01012 0.01459 -0.17568 -0.00317 0.07938 54 6PX -0.11426 -1.33679 -0.46910 -0.05659 1.21092 55 6PY -1.84028 -0.15658 1.09650 0.97562 0.33964 56 6PZ -0.38044 -0.88071 0.94033 -0.19090 0.55523 57 7D 0 -0.00377 -0.03603 0.02092 -0.00935 0.00555 58 7D+1 0.00345 -0.02993 -0.01924 -0.01569 0.00070 59 7D-1 -0.05437 -0.01269 0.01448 0.01869 -0.00712 60 7D+2 0.01523 0.01391 0.02845 -0.01199 -0.00646 61 7D-2 0.02182 -0.00703 -0.01168 -0.00256 -0.00950 62 8D 0 -0.00302 -0.00540 0.00909 -0.00236 0.00176 63 8D+1 0.00325 -0.00677 -0.01041 -0.00090 0.00168 64 8D-1 -0.01313 -0.00223 0.00602 -0.00071 0.00036 65 8D+2 0.00273 0.00412 0.00262 -0.00468 0.00192 66 8D-2 0.00454 -0.00134 -0.00332 -0.00174 -0.00119 67 4 Cu 1S -0.00121 -0.00123 -0.00276 -0.00169 -0.00146 68 2S -0.03811 0.03271 -0.04780 0.01136 -0.03173 69 3S -0.88661 0.50144 -0.04106 0.63930 -0.26793 70 4PX -0.00797 0.04590 0.02229 -0.00129 -0.02269 71 4PY 0.00039 0.01905 0.01969 0.02288 0.01059 72 4PZ -0.00081 -0.00039 0.00642 0.04170 -0.01833 73 5PX 0.04382 -0.23353 -0.11922 0.04876 0.10081 74 5PY -0.00373 -0.11199 -0.09427 -0.16610 -0.07184 75 5PZ -0.07754 0.01063 0.05728 -0.22011 0.08549 76 6PX -0.39525 0.42470 1.36055 0.14026 3.35588 77 6PY 0.47375 0.95624 -1.28914 -1.00387 -3.00056 78 6PZ 0.02102 0.77576 0.25477 -0.40618 -2.90401 79 7D 0 0.01292 -0.01748 -0.00265 0.00015 -0.00297 80 7D+1 0.00052 0.02378 0.01945 -0.00855 0.02237 81 7D-1 0.02690 0.02020 -0.00122 0.01705 -0.03626 82 7D+2 0.00853 0.00485 0.02977 -0.01716 0.01243 83 7D-2 -0.02849 0.00731 0.01976 -0.01342 -0.00279 84 8D 0 -0.00048 -0.00317 -0.00004 0.00199 0.00079 85 8D+1 -0.00135 0.00443 0.00657 -0.00263 0.00459 86 8D-1 0.00658 0.00405 0.00289 0.00413 -0.00651 87 8D+2 0.00289 0.00136 0.00593 -0.00074 0.00035 88 8D-2 -0.00938 -0.00027 0.00658 -0.00148 0.00031 89 5 Cu 1S -0.00207 -0.00022 -0.00057 0.00182 -0.00126 90 2S -0.04307 -0.06630 -0.00756 0.00333 -0.00098 91 3S -0.37143 -1.32228 -0.04573 -0.54481 -0.25609 92 4PX -0.00030 -0.02316 0.00775 0.02147 -0.01185 93 4PY 0.02962 -0.02540 0.00219 -0.01990 -0.00467 94 4PZ -0.01811 0.01519 0.03396 0.01791 -0.04341 95 5PX 0.03445 0.19913 -0.03247 -0.07841 0.04021 96 5PY -0.19098 0.12743 -0.00364 0.07885 0.06223 97 5PZ 0.08911 -0.02617 -0.16669 -0.03633 0.22465 98 6PX 0.81585 -1.32996 0.26006 -1.76927 -1.62968 99 6PY 0.47379 -0.90630 -1.42776 2.08564 -0.27342 100 6PZ -0.21427 0.89690 -0.89730 1.95818 -1.53900 101 7D 0 0.01129 -0.00352 0.01148 -0.02509 0.03075 102 7D+1 -0.00555 0.02794 -0.00895 0.00860 0.01480 103 7D-1 -0.02481 0.03179 -0.00954 -0.00166 0.00778 104 7D+2 -0.00361 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124 7D+1 0.02112 -0.01461 -0.02056 0.00653 0.01800 125 7D-1 -0.01369 -0.00301 0.02486 0.00120 0.03064 126 7D+2 -0.03107 0.03823 -0.02743 -0.00216 -0.00605 127 7D-2 -0.01524 -0.01173 -0.01493 -0.00570 0.01241 128 8D 0 0.00046 0.00225 0.00289 -0.00054 0.00999 129 8D+1 0.00138 -0.00292 -0.00415 0.00194 0.00483 130 8D-1 -0.00155 -0.00048 0.00130 0.00349 0.00652 131 8D+2 -0.00331 0.00675 -0.00553 -0.00231 -0.00063 132 8D-2 -0.00310 -0.00206 -0.00260 -0.00426 0.00218 133 7 Cu 1S -0.00061 0.00019 -0.00137 -0.00121 -0.00091 134 2S 0.08039 0.05965 -0.02486 0.00799 0.01464 135 3S 1.20195 0.68904 -0.41251 0.28448 0.14447 136 4PX 0.01146 0.02948 -0.02356 -0.00810 0.03009 137 4PY 0.05043 0.00981 0.00453 0.02201 -0.00910 138 4PZ 0.00014 0.01725 0.00488 -0.02690 0.00660 139 5PX 0.00464 -0.08990 0.11015 0.09380 -0.16743 140 5PY -0.23179 -0.05301 -0.02720 -0.16442 0.06488 141 5PZ -0.08573 -0.04804 0.03620 0.18947 -0.05755 142 6PX 1.67141 -0.21601 -0.24667 -0.45535 -1.28634 143 6PY -0.64116 0.57730 -0.35409 -1.01649 0.52665 144 6PZ -0.51914 -1.45371 -0.64234 -1.78424 -2.29047 145 7D 0 -0.00738 -0.01501 0.01761 0.01293 -0.00961 146 7D+1 0.00497 -0.01078 -0.00981 -0.00996 0.00158 147 7D-1 -0.00837 -0.00756 -0.02182 -0.01937 0.01250 148 7D+2 0.00360 0.00525 -0.01169 -0.03133 0.03033 149 7D-2 0.02839 -0.00495 0.01173 -0.00337 -0.00937 150 8D 0 -0.00194 -0.00413 0.00352 0.00206 -0.00401 151 8D+1 -0.00086 -0.00059 -0.00054 0.00131 -0.00088 152 8D-1 -0.00391 -0.00238 -0.00324 -0.00414 0.00211 153 8D+2 0.00292 0.00281 -0.00172 -0.00249 0.00808 154 8D-2 0.00491 -0.00241 0.00338 -0.00080 -0.00376 155 8 Cu 1S -0.00083 -0.00099 0.00162 -0.00088 -0.00021 156 2S 0.03138 -0.00443 -0.00965 -0.06189 -0.05051 157 3S 0.72662 -0.05579 -0.96248 -1.30267 -1.23509 158 4PX -0.00477 -0.01739 -0.01507 -0.01266 -0.01682 159 4PY -0.03232 0.00138 0.01366 0.00825 0.01371 160 4PZ -0.01727 0.00008 0.02747 0.01197 0.00388 161 5PX 0.05552 0.11182 0.08071 0.09471 0.09656 162 5PY 0.15635 0.00417 -0.03891 -0.02968 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-0.00957 -0.01120 -0.02525 -0.04125 -0.05203 183 5PX 0.03046 -0.00830 -0.01502 -0.11823 0.00722 184 5PY -0.07400 -0.01573 0.00705 0.03487 -0.06681 185 5PZ -0.00545 -0.02305 -0.02077 -0.04059 -0.07648 186 10 O 1S -0.00378 0.00259 -0.00262 0.00778 -0.00944 187 2S 0.01313 -0.00689 0.00729 -0.02517 0.02958 188 3S 0.00458 -0.01801 0.02026 -0.02320 0.03326 189 4PX -0.04202 0.00212 -0.02593 -0.03027 -0.00929 190 4PY -0.01994 -0.00217 0.01444 -0.00024 -0.00073 191 4PZ 0.03440 -0.00814 0.01693 -0.00716 -0.06032 192 5PX -0.01693 0.00318 -0.00834 0.01689 0.00009 193 5PY -0.01156 0.00164 0.01261 0.01891 -0.01276 194 5PZ 0.00796 0.00483 0.01784 0.01146 -0.00719 111 112 113 114 115 V V V V V EIGENVALUES -- 0.07830 0.08196 0.08368 0.08453 0.08762 1 1 Cu 1S -0.00049 0.00028 0.00212 0.00210 -0.00338 2 2S -0.04064 0.09179 0.01152 0.01310 0.02604 3 3S -0.54984 1.55917 -0.02842 0.01662 0.96767 4 4PX 0.01981 -0.02675 -0.01313 -0.00306 0.00205 5 4PY -0.01561 -0.01439 -0.00765 -0.00409 -0.00902 6 4PZ -0.00326 -0.00561 -0.01116 0.00002 -0.00427 7 5PX -0.14194 0.15732 0.07709 0.02594 -0.08954 8 5PY 0.12224 0.01637 0.08914 0.05560 0.02633 9 5PZ -0.01183 -0.00979 0.12502 0.06497 0.10293 10 6PX -1.00340 -3.31300 1.56537 0.27726 -3.12370 11 6PY 1.69549 0.60242 1.01290 2.11201 -1.41707 12 6PZ 5.88896 6.52456 -1.70281 1.46547 1.94047 13 7D 0 0.02322 -0.02990 -0.00300 -0.00839 0.00854 14 7D+1 -0.00873 0.00231 0.00726 -0.00712 -0.01358 15 7D-1 -0.02786 -0.01756 0.00033 -0.01682 -0.02089 16 7D+2 -0.00017 0.01536 0.02722 0.00271 0.01743 17 7D-2 -0.00863 0.02271 0.00889 -0.00831 0.00387 18 8D 0 0.00563 -0.00446 -0.00307 -0.00397 0.00657 19 8D+1 -0.00067 -0.00075 0.00261 -0.00059 -0.00640 20 8D-1 -0.00465 0.00023 -0.00430 -0.00844 -0.00369 21 8D+2 0.00403 0.00127 0.00694 0.00071 0.00477 22 8D-2 0.00030 0.00335 0.00233 -0.00220 -0.00075 23 2 Cu 1S -0.00081 -0.00080 0.00148 -0.00056 0.00052 24 2S 0.02454 -0.03921 0.04087 -0.01152 0.02350 25 3S 0.46083 -0.44118 1.10861 0.04511 0.63951 26 4PX 0.01864 -0.01185 -0.00958 0.01138 0.02001 27 4PY -0.00031 0.00390 -0.00416 -0.00279 -0.00031 28 4PZ 0.02366 0.02607 0.01375 0.03510 0.00044 29 5PX -0.17605 0.14386 0.08414 -0.10424 -0.12884 30 5PY 0.06692 -0.15945 0.05500 0.05039 -0.02466 31 5PZ -0.11582 -0.18047 -0.08031 -0.19298 -0.00454 32 6PX 2.07932 -0.40393 -3.48556 2.66396 -1.44787 33 6PY -0.14048 0.79157 -1.76350 0.31227 -2.23262 34 6PZ -3.11796 -4.66487 4.26091 -0.46901 0.10636 35 7D 0 -0.00068 -0.01381 -0.02448 0.00403 0.00130 36 7D+1 0.01198 -0.01219 0.00735 0.01312 -0.00477 37 7D-1 0.02283 0.00854 0.01730 0.02086 0.00294 38 7D+2 -0.02681 0.01134 0.00448 0.00640 -0.00814 39 7D-2 0.00582 -0.01683 -0.01782 0.00464 0.01200 40 8D 0 -0.00111 -0.00261 -0.00708 0.00179 0.00183 41 8D+1 -0.00003 -0.00116 -0.00009 0.00264 0.00173 42 8D-1 0.00567 0.00555 0.00397 0.00641 0.00039 43 8D+2 -0.00558 0.00005 -0.00481 0.00267 -0.00532 44 8D-2 0.00205 -0.00548 -0.00405 0.00197 0.00300 45 3 Cu 1S 0.00027 -0.00007 -0.00127 0.00072 -0.00011 46 2S 0.01196 -0.00978 0.00480 0.04727 0.06142 47 3S 0.93951 -0.27785 0.97452 1.82339 2.29816 48 4PX -0.00304 0.02736 0.01466 0.02083 -0.02273 49 4PY 0.02635 0.00986 0.02853 0.02110 -0.00529 50 4PZ 0.00414 -0.01695 -0.00846 -0.00302 0.01098 51 5PX -0.02013 -0.15360 -0.11666 -0.15615 0.12450 52 5PY -0.16240 -0.06926 -0.19960 -0.13766 0.01214 53 5PZ 0.02065 0.04191 0.10463 0.06965 -0.03891 54 6PX 0.41065 2.09547 1.46418 -1.73566 1.60749 55 6PY 1.85819 2.96373 -3.30931 0.88463 1.31867 56 6PZ 1.55919 0.95206 -0.18783 -2.38754 0.40702 57 7D 0 0.02152 0.00963 0.00455 -0.01232 -0.00376 58 7D+1 -0.00167 -0.00327 0.00547 0.02035 0.03358 59 7D-1 0.01771 -0.00419 -0.00355 0.00453 0.00848 60 7D+2 0.01096 0.00370 -0.00223 0.01364 -0.01028 61 7D-2 0.00154 -0.01340 0.00205 -0.01188 -0.01383 62 8D 0 0.00353 -0.00095 0.00329 0.00251 -0.00034 63 8D+1 0.00046 0.00080 -0.00225 0.00076 0.00144 64 8D-1 0.00334 -0.00322 0.00448 0.00368 0.00001 65 8D+2 0.00330 0.00104 -0.00124 -0.00163 0.00007 66 8D-2 -0.00172 -0.00002 -0.00211 -0.00313 -0.00177 67 4 Cu 1S 0.00100 -0.00201 -0.00069 -0.00161 0.00090 68 2S -0.04592 -0.05287 -0.01434 -0.01535 0.01712 69 3S -0.66616 -1.01468 0.06818 0.52259 0.68366 70 4PX -0.01097 -0.01878 -0.00611 -0.01677 0.00805 71 4PY 0.01297 0.01385 0.01109 0.01251 0.02075 72 4PZ -0.02827 0.03834 0.03072 -0.00183 -0.01663 73 5PX 0.02382 0.10531 0.05331 0.12941 -0.08181 74 5PY -0.11052 -0.11131 -0.07713 -0.07985 -0.17359 75 5PZ 0.11953 -0.27914 -0.14077 0.01151 0.08126 76 6PX 1.23113 2.55687 0.18105 -3.55328 -1.06613 77 6PY 3.37096 0.10253 2.40937 -1.31768 -0.94627 78 6PZ -2.67301 -0.74681 -0.67219 3.08050 -1.14898 79 7D 0 -0.02633 0.02640 0.01321 0.04235 -0.00088 80 7D+1 0.00916 0.01653 -0.00402 -0.00476 -0.01792 81 7D-1 0.02514 -0.00575 0.02237 -0.00230 0.00844 82 7D+2 0.00478 -0.00016 -0.02076 -0.02559 0.00329 83 7D-2 0.02254 0.00806 0.00750 0.01936 0.00441 84 8D 0 -0.00676 0.00326 0.00562 0.00562 -0.00302 85 8D+1 0.00201 0.00265 0.00163 0.00098 -0.00300 86 8D-1 0.00217 -0.00191 0.00336 0.00160 0.00330 87 8D+2 -0.00061 -0.00339 -0.00538 -0.00305 0.00051 88 8D-2 0.00387 -0.00211 0.00248 0.00546 -0.00212 89 5 Cu 1S -0.00012 -0.00045 0.00000 0.00168 0.00075 90 2S 0.05994 0.03246 0.02206 -0.01075 0.00231 91 3S 1.36044 0.37444 0.60509 -0.89082 -0.76424 92 4PX -0.02381 -0.00389 -0.00144 0.01598 -0.02345 93 4PY 0.00172 -0.00680 -0.00718 -0.02367 0.00739 94 4PZ -0.03803 -0.00672 0.00103 -0.01968 -0.00651 95 5PX 0.11564 0.03492 0.02586 -0.10918 0.14133 96 5PY 0.02087 0.02498 0.06432 0.15051 -0.07195 97 5PZ 0.16155 0.05626 -0.00847 0.13886 0.07856 98 6PX -1.58919 1.04640 -0.14179 1.31761 1.11661 99 6PY 0.12440 -3.25332 0.50041 2.28249 0.55605 100 6PZ 0.76292 -0.64825 0.45181 -0.54413 -1.25065 101 7D 0 -0.02226 0.01529 -0.00101 0.02073 -0.00550 102 7D+1 -0.02042 0.00321 -0.00694 0.00501 -0.01262 103 7D-1 0.01094 0.04367 0.00277 0.01447 -0.00009 104 7D+2 -0.00043 -0.00711 0.00771 -0.02724 0.00132 105 7D-2 -0.02391 -0.00431 0.00785 -0.01482 -0.02640 106 8D 0 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0.10150 -0.06173 -0.20945 9 5PZ 0.02943 0.02711 -0.02127 0.01205 0.14029 10 6PX -0.57557 -3.72348 -0.11817 0.40952 -5.79064 11 6PY 1.43620 1.99482 0.40339 1.10447 6.21570 12 6PZ 3.37919 -3.25495 2.97331 10.19519 1.94218 13 7D 0 -0.02520 0.00592 0.02874 -0.00846 -0.02867 14 7D+1 -0.02019 0.00856 -0.02750 -0.04242 -0.03446 15 7D-1 0.01459 -0.00254 -0.01949 -0.01542 0.01625 16 7D+2 0.01278 0.01571 0.01522 -0.00239 0.02135 17 7D-2 -0.03642 0.02284 0.03738 -0.01339 -0.01941 18 8D 0 -0.00907 0.00283 0.00733 -0.00444 -0.00809 19 8D+1 -0.00622 0.00062 -0.00740 -0.01009 -0.01029 20 8D-1 0.00291 -0.00156 -0.00357 -0.00106 0.00238 21 8D+2 0.00060 -0.00076 0.00445 0.00168 -0.00030 22 8D-2 -0.00856 0.00511 0.01107 -0.00066 -0.00347 23 2 Cu 1S 0.00171 0.00342 0.00219 -0.00230 0.00003 24 2S 0.00708 0.05548 0.05537 -0.05361 -0.01876 25 3S 0.40329 0.61421 0.53695 -0.13164 0.48703 26 4PX 0.02994 -0.03548 -0.05607 -0.00879 -0.01441 27 4PY -0.00611 -0.00104 -0.00410 -0.00433 -0.00678 28 4PZ 0.00544 0.02251 -0.01215 -0.01576 -0.02114 29 5PX -0.19947 0.25246 0.38800 0.04451 0.11943 30 5PY 0.04137 -0.01823 0.09352 0.00952 0.02064 31 5PZ -0.03108 -0.11792 0.09369 0.14595 0.12074 32 6PX 0.01919 -1.10295 2.49360 -0.35321 1.56700 33 6PY -0.03883 1.30634 -1.51294 1.13898 1.43972 34 6PZ 2.28270 -4.22846 4.67563 -8.27451 0.15480 35 7D 0 0.02653 -0.01120 -0.03243 -0.00939 0.00501 36 7D+1 0.03357 0.02920 0.02125 0.01503 -0.02108 37 7D-1 -0.01352 0.02040 0.01173 -0.00736 -0.01801 38 7D+2 0.01970 -0.02266 -0.01483 0.03709 0.03285 39 7D-2 0.02425 -0.03749 -0.03520 0.01894 0.00490 40 8D 0 0.00929 -0.00405 -0.01384 0.00031 0.00107 41 8D+1 0.00918 0.00451 0.00568 0.00360 -0.00725 42 8D-1 -0.00494 0.00768 0.00064 -0.00069 -0.00514 43 8D+2 0.00612 -0.00800 -0.00190 0.00966 0.00972 44 8D-2 0.00673 -0.01157 -0.01148 0.00475 -0.00099 45 3 Cu 1S 0.00036 -0.00004 -0.00094 0.00116 -0.00033 46 2S 0.03026 -0.02447 -0.00583 0.06343 0.03516 47 3S 0.82863 -0.55791 0.62366 2.60173 1.58887 48 4PX -0.00277 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0.00614 -0.01170 0.00290 -0.02871 69 3S -1.31229 0.21678 0.19157 0.77229 -0.28443 70 4PX -0.01318 0.03556 0.00960 -0.02740 -0.01819 71 4PY -0.01537 -0.01887 -0.05590 -0.03805 -0.01494 72 4PZ -0.02970 0.00492 0.01873 0.00491 -0.00103 73 5PX 0.04284 -0.20947 -0.07001 0.19911 0.09472 74 5PY 0.10431 0.10182 0.41683 0.28410 0.13576 75 5PZ 0.18978 -0.04284 -0.13452 -0.04560 -0.00885 76 6PX 3.78899 -3.73057 4.76691 -3.22003 0.97002 77 6PY -1.68933 2.98931 -4.87930 4.82627 -2.02472 78 6PZ -3.00933 0.33744 -1.17980 -0.13224 -1.91360 79 7D 0 0.00333 0.01783 0.00365 0.00002 -0.02900 80 7D+1 0.00278 -0.02306 0.01547 0.01633 0.04271 81 7D-1 0.01088 -0.01458 -0.03120 -0.00115 0.00178 82 7D+2 0.01471 0.01779 -0.00087 -0.02965 -0.03303 83 7D-2 0.02998 0.02147 0.00932 -0.01133 -0.00540 84 8D 0 0.00352 0.00359 0.00215 0.00052 -0.00716 85 8D+1 -0.00096 -0.00220 0.00259 0.00517 0.01392 86 8D-1 0.00201 -0.00640 -0.00844 -0.00431 0.00193 87 8D+2 0.00148 0.00515 -0.00149 -0.00587 -0.00994 88 8D-2 0.00821 0.00693 0.00183 -0.00106 -0.00059 89 5 Cu 1S 0.00145 -0.00352 -0.00297 0.00031 0.00109 90 2S 0.01983 -0.03521 -0.04948 -0.00589 0.00346 91 3S 0.15666 -0.13574 -0.84345 -1.01010 -0.48353 92 4PX 0.03524 0.01773 0.00240 0.00834 -0.05530 93 4PY -0.04334 -0.01676 0.02837 0.01455 -0.01460 94 4PZ -0.00213 -0.01117 0.01442 0.01988 0.04053 95 5PX -0.23155 -0.11976 0.00375 -0.05153 0.45284 96 5PY 0.28120 0.12757 -0.23522 -0.09060 0.10742 97 5PZ 0.05661 0.08872 -0.12860 -0.12136 -0.29802 98 6PX 0.01905 2.99304 -1.38004 -1.03180 1.19020 99 6PY 0.35652 -3.01744 5.62226 -8.12440 1.41955 100 6PZ 1.75212 -2.96446 3.99764 -3.05241 -0.04868 101 7D 0 -0.00601 0.01589 -0.01048 0.00990 -0.01062 102 7D+1 -0.02092 0.00538 0.01494 -0.00149 -0.00062 103 7D-1 -0.00780 -0.00703 -0.02379 0.00726 -0.00367 104 7D+2 0.00881 0.01658 -0.00712 -0.00228 0.01092 105 7D-2 -0.00621 0.01225 -0.00760 -0.01663 -0.00185 106 8D 0 0.00002 0.00283 0.00058 -0.00068 -0.00526 107 8D+1 -0.00455 0.00304 0.00186 -0.00208 0.00388 108 8D-1 -0.00212 0.00022 -0.00441 -0.00184 0.00176 109 8D+2 0.00302 0.00371 -0.00072 -0.00418 0.00435 110 8D-2 -0.00120 0.00321 -0.00118 -0.00427 0.00071 111 6 Cu 1S 0.00035 0.00011 -0.00038 -0.00096 -0.00091 112 2S 0.02539 -0.00978 -0.02732 0.00004 -0.00650 113 3S 0.50073 -0.30976 -0.79150 -0.15832 -0.31555 114 4PX 0.03696 -0.00392 -0.03026 0.00060 0.04415 115 4PY -0.01265 0.01166 0.01946 -0.00413 0.03683 116 4PZ 0.06236 0.03323 0.03725 0.01966 -0.01898 117 5PX -0.17445 0.01728 0.22025 0.01595 -0.32578 118 5PY 0.04969 -0.08050 -0.08629 0.01383 -0.27535 119 5PZ -0.37235 -0.25980 -0.27035 -0.14583 0.18780 120 6PX 0.31872 -0.46160 -2.20719 2.93728 -1.93971 121 6PY -2.56711 1.78169 -2.87721 4.56305 -2.04228 122 6PZ -2.29400 6.54823 -5.01163 4.65749 -0.97243 123 7D 0 0.01844 -0.00513 -0.00508 0.01202 0.01158 124 7D+1 0.02073 0.02502 -0.00325 0.02132 0.01325 125 7D-1 0.00786 -0.00408 -0.01405 -0.01280 0.01269 126 7D+2 0.00296 0.00030 -0.01245 0.01758 0.01783 127 7D-2 0.00981 -0.00291 -0.01949 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0.76546 1.12096 33 6PY 1.36994 1.75263 0.58274 0.11337 0.39212 34 6PZ 0.84832 0.31451 -0.35628 -0.24379 -1.20236 35 7D 0 -0.02333 0.01627 -0.00859 -0.00180 0.00823 36 7D+1 -0.06327 0.00675 0.01404 -0.02777 -0.00721 37 7D-1 -0.02014 0.00908 0.02597 0.01301 0.00387 38 7D+2 0.01448 -0.00974 0.02597 0.01183 0.02196 39 7D-2 -0.01038 -0.02619 0.01843 -0.00961 -0.03199 40 8D 0 -0.01617 -0.01723 -0.01476 -0.00036 0.01497 41 8D+1 -0.01966 -0.00626 -0.00376 -0.00144 -0.01052 42 8D-1 0.00605 0.01665 0.01673 0.00124 -0.00144 43 8D+2 -0.01440 -0.03873 -0.02019 0.00210 0.03646 44 8D-2 -0.02203 -0.02821 -0.01663 -0.00002 -0.00370 45 3 Cu 1S -0.00941 0.00619 -0.00020 -0.00199 -0.00838 46 2S -0.04298 0.05532 0.02550 -0.01253 -0.04403 47 3S -1.87522 -0.90983 -0.21572 1.07677 -0.95043 48 4PX -0.03068 0.05601 -0.02452 -0.00772 -0.00713 49 4PY -0.01999 0.00542 0.05976 -0.01177 0.00380 50 4PZ 0.00551 0.02693 -0.01712 -0.01533 0.01974 51 5PX 0.54512 -0.84637 0.43466 0.20267 0.15159 52 5PY 0.37075 0.07435 -0.98902 0.40250 -0.48668 53 5PZ -0.26580 -0.58455 0.24568 0.57088 -0.59543 54 6PX -0.34545 1.59914 -0.31073 -0.54785 -0.11582 55 6PY -1.02272 -0.25148 0.90667 -0.17741 0.90877 56 6PZ -0.45250 0.71952 -0.56667 -0.42335 -0.09690 57 7D 0 0.01833 -0.06680 0.01963 0.01582 -0.05656 58 7D+1 0.02368 -0.02733 -0.00027 -0.04386 -0.00336 59 7D-1 -0.00126 -0.00491 -0.08944 0.03840 -0.04953 60 7D+2 -0.02325 0.04602 -0.07347 -0.06471 -0.00553 61 7D-2 -0.04580 0.01717 0.03453 -0.04252 0.00233 62 8D 0 0.00240 -0.00876 0.00839 0.02259 -0.01770 63 8D+1 0.00749 -0.00176 -0.00188 -0.00742 0.01199 64 8D-1 0.00813 0.00867 -0.00920 0.01347 -0.02848 65 8D+2 0.00189 0.02848 -0.00456 -0.01045 -0.01032 66 8D-2 -0.00450 -0.00005 0.00779 -0.00513 0.00780 67 4 Cu 1S 0.00517 -0.00094 0.01393 0.00636 -0.00922 68 2S 0.01267 -0.01534 0.07942 0.01786 -0.03426 69 3S -0.16982 -0.98776 -0.66030 -0.40526 0.53570 70 4PX -0.02824 0.04511 -0.03706 -0.05264 0.01188 71 4PY 0.02498 -0.01217 0.02830 -0.00661 -0.02190 72 4PZ -0.00151 -0.04166 0.03019 0.02732 0.00766 73 5PX 0.38125 -0.71996 0.44959 1.14641 -0.01837 74 5PY -0.38993 0.36908 -0.42439 0.32380 0.25174 75 5PZ 0.03602 0.59387 -0.61581 -0.66626 -0.07394 76 6PX -0.71240 0.57301 -0.22770 -2.02434 0.12397 77 6PY 1.43224 -0.07025 -0.73953 -0.56980 -0.56251 78 6PZ -0.02631 -1.41341 0.68702 0.93198 0.53777 79 7D 0 0.03141 0.01556 -0.06563 -0.04997 -0.02328 80 7D+1 -0.02509 0.04886 -0.01173 0.06075 -0.00289 81 7D-1 -0.05154 0.02585 -0.03529 0.03679 0.01216 82 7D+2 0.05920 -0.05113 -0.00163 0.03910 0.01212 83 7D-2 0.05228 -0.01585 -0.06607 0.04414 0.00870 84 8D 0 0.01480 0.01175 -0.00968 -0.02681 0.00336 85 8D+1 -0.00844 0.01251 -0.00397 0.02184 -0.00187 86 8D-1 -0.01607 0.01235 -0.00235 0.01168 -0.00366 87 8D+2 0.01662 -0.00832 0.00898 0.01014 -0.00361 88 8D-2 0.01521 0.00450 -0.00940 0.01364 -0.00073 89 5 Cu 1S 0.00192 0.00630 0.00266 -0.00566 -0.00809 90 2S 0.04172 0.04599 0.00496 -0.04243 -0.02611 91 3S -0.17654 -0.23362 -0.68414 -1.07353 1.68634 92 4PX -0.02667 0.05337 -0.00239 0.01323 0.02985 93 4PY 0.00858 -0.02286 0.02817 0.05325 -0.03635 94 4PZ 0.03207 -0.02112 0.01990 -0.01207 -0.01608 95 5PX 0.41888 -0.89292 -0.01451 -0.47820 -0.80771 96 5PY -0.08262 0.43045 -0.23337 -1.28459 0.81913 97 5PZ -0.36277 0.36501 -0.16504 0.39884 0.17446 98 6PX -0.76753 1.18584 0.49089 1.45199 0.24502 99 6PY 0.24603 -0.76418 0.99928 1.52376 -0.04762 100 6PZ 0.63008 -0.83836 0.78347 -0.28426 -0.61697 101 7D 0 0.03639 -0.04176 0.01910 -0.02502 -0.05400 102 7D+1 -0.01591 0.05189 -0.01619 0.03510 0.03054 103 7D-1 0.05169 0.02326 -0.02924 0.08193 -0.05284 104 7D+2 -0.06932 0.00040 0.03258 0.09475 0.00876 105 7D-2 -0.00698 -0.01299 0.00961 0.04268 -0.04868 106 8D 0 0.00867 -0.00871 -0.00052 -0.01294 -0.01406 107 8D+1 -0.00060 0.01167 0.00705 0.00856 0.01597 108 8D-1 0.00815 -0.00749 -0.02045 0.03108 -0.00886 109 8D+2 -0.01175 0.01033 0.01194 0.02603 0.00326 110 8D-2 -0.00060 -0.00488 0.00775 0.00742 -0.00387 111 6 Cu 1S -0.00104 -0.00687 -0.00194 0.00404 0.00494 112 2S 0.00623 -0.04763 0.01404 0.01909 0.07178 113 3S -0.19732 -0.97202 0.92347 -0.34776 2.98205 114 4PX -0.00537 0.00503 0.00056 -0.01581 -0.06138 115 4PY 0.01726 -0.01791 -0.01725 -0.00815 0.00348 116 4PZ 0.05823 0.00270 -0.03797 0.03597 -0.03467 117 5PX 0.08273 -0.01061 0.10273 0.35253 1.53123 118 5PY -0.15875 0.38015 0.25287 0.25348 0.00042 119 5PZ -0.85212 -0.03276 0.68320 -0.82449 0.72389 120 6PX 0.03076 -0.39855 -0.14019 -0.71730 -0.74019 121 6PY 0.55630 0.03534 -1.44897 -0.58061 -1.17519 122 6PZ 2.19429 0.34647 -1.39978 0.83142 -0.40793 123 7D 0 -0.01165 -0.00610 0.05847 -0.01776 -0.00466 124 7D+1 -0.01320 -0.02298 0.07444 -0.04394 0.06514 125 7D-1 0.05492 -0.04713 0.03873 0.05166 0.02066 126 7D+2 0.01978 0.05286 -0.00459 0.04397 0.10138 127 7D-2 -0.00250 -0.01617 0.03024 -0.00409 -0.05868 128 8D 0 -0.00172 -0.01109 0.01755 0.00254 -0.00557 129 8D+1 -0.00766 -0.00422 0.01797 -0.01138 0.01331 130 8D-1 0.01362 -0.01220 0.01339 0.01883 -0.00115 131 8D+2 0.00337 0.01959 0.00243 0.01528 0.02740 132 8D-2 -0.00248 -0.00115 0.00541 -0.00479 -0.01309 133 7 Cu 1S 0.01258 0.00057 0.01033 -0.01123 0.01782 134 2S 0.05995 -0.00543 0.06728 -0.04676 0.05263 135 3S -0.47690 -1.22762 -0.08114 1.10358 -2.26940 136 4PX -0.00986 0.01004 -0.00228 0.05602 0.03919 137 4PY -0.06872 0.00378 -0.00776 -0.02269 -0.06516 138 4PZ -0.07660 0.03291 0.02626 0.06853 -0.00680 139 5PX 0.03434 -0.26394 -0.10309 -0.86220 -0.84054 140 5PY 0.93827 0.10522 0.21092 0.42390 1.03494 141 5PZ 1.09132 -0.42823 -0.43878 -1.32350 0.18406 142 6PX 0.02278 -0.56052 1.13829 2.38997 0.98402 143 6PY -1.30951 0.54964 -0.87233 -1.32730 -1.66304 144 6PZ -2.01107 0.86293 1.22054 2.07472 0.60623 145 7D 0 -0.03634 -0.03668 0.03772 0.04382 0.00991 146 7D+1 0.05507 -0.06782 0.00214 -0.01249 0.01951 147 7D-1 0.00494 0.00389 0.00906 -0.03245 -0.02208 148 7D+2 -0.01200 -0.01881 -0.01213 -0.02157 -0.03005 149 7D-2 0.01458 -0.02116 0.00446 -0.02038 0.09073 150 8D 0 -0.00988 -0.01095 0.01709 0.02073 -0.00193 151 8D+1 0.01620 -0.01829 0.00210 -0.00864 0.00059 152 8D-1 0.00026 -0.00760 -0.01043 -0.01156 -0.00262 153 8D+2 -0.00477 -0.00602 0.00097 -0.01543 -0.01791 154 8D-2 0.00950 0.00225 0.01027 -0.00736 0.01690 155 8 Cu 1S -0.01518 -0.00455 -0.00704 0.01978 -0.02593 156 2S -0.09656 -0.02758 -0.05719 0.14229 -0.19075 157 3S 0.59948 0.04629 -1.50818 0.57188 -1.74334 158 4PX -0.00129 0.02881 -0.03431 0.00080 -0.01450 159 4PY -0.04792 -0.01520 0.01607 0.03564 -0.03713 160 4PZ -0.00740 0.01001 -0.06173 0.01690 -0.02933 161 5PX -0.02996 -0.43554 0.65865 -0.22888 0.65336 162 5PY 0.61805 0.29126 -0.20416 -0.55127 0.57838 163 5PZ -0.08317 -0.33774 1.00078 -0.03989 0.34470 164 6PX 0.49626 0.99904 -1.53117 0.10162 -0.68026 165 6PY -1.13133 -0.51222 1.47455 0.09527 0.34702 166 6PZ 0.07619 0.58506 -0.83062 -0.53970 0.47741 167 7D 0 0.03275 0.02972 -0.04647 -0.02350 0.02787 168 7D+1 0.01501 0.01360 -0.04219 0.04979 -0.09171 169 7D-1 -0.04732 0.02782 -0.01725 -0.01102 0.03431 170 7D+2 0.04211 0.03111 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190 4PY -0.07006 -0.08772 -0.11049 -0.00844 0.02918 191 4PZ -0.05050 -0.02085 0.02227 0.01730 0.03391 192 5PX -0.04898 0.02737 0.01457 -0.00902 -0.05877 193 5PY -0.05138 -0.06901 -0.17328 -0.00011 0.07578 194 5PZ -0.02821 0.00220 0.03866 -0.01668 0.06328 131 132 133 134 135 V V V V V EIGENVALUES -- 0.26913 0.26988 0.27995 0.29351 0.30303 1 1 Cu 1S -0.00286 -0.00624 0.00137 0.00708 0.00958 2 2S -0.07535 0.07949 0.03622 -0.03654 0.03929 3 3S -3.95077 6.65751 1.72737 -4.49471 0.35262 4 4PX -0.00271 0.04059 -0.00071 -0.01378 -0.02547 5 4PY -0.01645 -0.01060 -0.00133 -0.03316 0.04006 6 4PZ -0.02468 -0.03618 -0.02028 0.02732 0.01017 7 5PX -0.09808 -0.93660 0.22016 0.60582 1.23995 8 5PY 0.37944 0.44834 0.16685 0.85610 -1.56260 9 5PZ 0.82171 0.89047 0.56601 -1.09472 -0.33947 10 6PX -2.59908 -0.42283 -0.01979 1.71914 2.04194 11 6PY 3.33875 -0.19273 0.24586 -1.13603 -2.13840 12 6PZ 6.93492 1.55637 -1.12192 -5.28003 -3.58325 13 7D 0 -0.04950 0.08494 0.00833 -0.03965 0.05556 14 7D+1 -0.00501 -0.03973 -0.07898 -0.07023 -0.02300 15 7D-1 0.04662 0.06168 -0.00210 -0.00770 -0.08485 16 7D+2 -0.05083 0.03356 -0.00815 0.02504 -0.02903 17 7D-2 0.06709 -0.02493 -0.04217 -0.02557 0.07281 18 8D 0 -0.01497 0.03154 0.00835 -0.01739 0.01644 19 8D+1 -0.01603 -0.01957 -0.03316 -0.01579 -0.00531 20 8D-1 0.01748 0.01856 0.00332 0.00367 -0.01201 21 8D+2 -0.01214 0.01179 -0.00238 0.01115 -0.01643 22 8D-2 0.02100 -0.00538 -0.01122 -0.01159 0.00908 23 2 Cu 1S -0.01884 0.02104 0.00346 -0.01171 -0.00398 24 2S -0.17595 0.18511 0.02082 -0.07024 -0.01260 25 3S -1.89361 3.14679 0.59127 -1.24228 1.36438 26 4PX -0.01157 -0.03817 -0.00429 -0.01415 -0.01300 27 4PY 0.04066 -0.03224 -0.01198 0.00859 -0.04853 28 4PZ 0.03290 0.01203 0.08221 -0.04869 -0.02049 29 5PX 0.09298 0.72171 0.18719 0.43947 0.45559 30 5PY -1.11897 1.02440 0.11673 0.07801 0.77910 31 5PZ -0.70567 -0.29860 -1.68987 0.92339 0.49890 32 6PX 0.79668 -0.82161 0.66681 -0.98326 -0.27021 33 6PY -0.25211 0.31475 -0.36584 -0.08119 0.35442 34 6PZ -0.76017 -1.61253 2.99456 -0.61732 -0.16352 35 7D 0 -0.06121 0.04659 -0.01180 0.00833 0.05280 36 7D+1 0.00526 -0.01299 -0.03420 -0.06543 -0.03769 37 7D-1 -0.01066 -0.04937 -0.04287 0.02126 0.02610 38 7D+2 -0.01160 -0.04079 -0.01051 -0.00834 0.01337 39 7D-2 -0.02053 0.02561 0.02316 0.04249 -0.01656 40 8D 0 -0.02846 0.00750 -0.01335 -0.00769 0.01360 41 8D+1 -0.00623 0.00258 -0.01077 -0.01769 -0.00483 42 8D-1 0.00202 -0.00337 -0.01549 0.01497 -0.00550 43 8D+2 -0.01507 -0.00220 -0.00702 0.00002 0.01215 44 8D-2 -0.00651 0.01006 -0.00428 0.00969 0.01764 45 3 Cu 1S 0.00073 -0.02463 -0.00771 -0.00833 0.01165 46 2S 0.05931 -0.21860 -0.12723 -0.07657 -0.00281 47 3S 5.49044 -2.65824 -3.82873 -4.03518 -4.64213 48 4PX 0.01947 -0.04502 -0.04582 -0.04305 -0.01170 49 4PY -0.01499 -0.01346 0.00125 0.01377 -0.00388 50 4PZ -0.04461 0.07416 0.04581 0.01497 0.03817 51 5PX -0.50051 0.92500 1.02687 1.44052 0.53804 52 5PY 0.37124 0.60966 0.34634 -0.44094 0.08346 53 5PZ 1.29882 -1.15973 -0.96352 -0.42748 -1.32799 54 6PX 0.98171 0.30524 0.57339 -0.64048 -0.45501 55 6PY 1.15382 0.15419 -0.72880 -0.91572 -0.59035 56 6PZ 0.65865 -0.87256 -0.28622 -0.50844 -0.46171 57 7D 0 0.05409 -0.00004 0.00828 0.02855 -0.09706 58 7D+1 -0.03990 0.01932 0.06425 0.05135 0.02622 59 7D-1 0.00932 0.06369 0.04125 -0.04561 0.01022 60 7D+2 0.01858 -0.02433 0.01371 -0.08072 -0.04163 61 7D-2 -0.01796 -0.01130 0.01335 0.03125 -0.02964 62 8D 0 0.01953 0.00766 -0.00037 0.00797 -0.00229 63 8D+1 -0.01394 0.00983 0.00754 0.01387 0.01951 64 8D-1 0.00961 0.01896 0.01404 -0.00974 -0.00529 65 8D+2 -0.00336 -0.00775 -0.00338 -0.01446 0.00897 66 8D-2 -0.00722 -0.01241 -0.01366 -0.00496 0.00276 67 4 Cu 1S -0.01112 0.00889 0.00601 0.00617 -0.00226 68 2S -0.06926 0.00474 0.14968 0.18708 0.03431 69 3S 0.59637 -1.84258 5.36519 7.19668 1.58450 70 4PX -0.00410 -0.02930 -0.01260 -0.09627 -0.02088 71 4PY 0.01985 0.01312 -0.06101 0.00433 0.02775 72 4PZ -0.00022 0.05789 -0.06079 -0.05805 -0.02184 73 5PX 0.30233 0.66559 0.38329 2.18350 0.65453 74 5PY -0.75698 -0.28627 1.46379 -0.03866 -0.93986 75 5PZ 0.31352 -1.50623 1.49483 1.47634 0.57616 76 6PX 1.43279 -1.68885 2.49206 -1.32608 -0.85136 77 6PY -0.30545 1.07485 -2.12379 1.57776 0.69629 78 6PZ -1.34382 0.04311 0.17447 2.03123 0.84482 79 7D 0 0.02563 -0.07579 0.02476 0.02228 0.04184 80 7D+1 0.07192 -0.02724 -0.04725 0.03065 -0.01900 81 7D-1 -0.04777 -0.01464 0.07379 0.00873 -0.05921 82 7D+2 0.02011 0.05804 0.03043 0.05000 0.02368 83 7D-2 -0.00072 0.01528 -0.00038 -0.02868 0.02312 84 8D 0 0.01280 -0.02216 0.01117 0.00785 0.01528 85 8D+1 0.02320 -0.01058 -0.00329 0.01264 -0.00160 86 8D-1 -0.01904 -0.00913 0.01794 -0.00156 -0.01563 87 8D+2 0.00529 0.01466 -0.00096 0.01697 0.01972 88 8D-2 0.00501 0.00267 0.00693 0.00566 0.00750 89 5 Cu 1S -0.00616 0.00689 -0.00947 -0.00359 -0.01926 90 2S 0.12016 0.03180 -0.01298 0.06109 -0.18670 91 3S 6.53941 -1.17792 1.47339 4.74559 -3.01450 92 4PX 0.04808 0.02672 0.00906 0.03414 -0.02096 93 4PY -0.02779 -0.03657 0.04557 -0.04243 0.03309 94 4PZ 0.08228 -0.04262 0.02707 0.03047 -0.05337 95 5PX -1.33003 -0.61154 -0.30191 -0.99476 0.42639 96 5PY 0.61895 0.83112 -1.02294 1.03410 -0.72435 97 5PZ -1.93113 1.12055 -0.72592 -1.06385 1.23678 98 6PX -0.77662 0.36440 -0.36647 0.19808 0.08122 99 6PY 0.00082 -1.71667 2.99652 -0.48951 -0.38035 100 6PZ -1.15218 -1.01254 1.51077 -1.14142 0.48882 101 7D 0 0.05565 -0.09385 0.03940 0.00822 -0.02599 102 7D+1 0.04180 0.00783 0.03884 0.06097 0.03996 103 7D-1 0.01680 0.00366 0.05882 -0.04960 -0.00764 104 7D+2 0.01095 -0.03677 0.01185 0.00423 0.02985 105 7D-2 -0.05876 -0.02535 0.00452 -0.00376 -0.00998 106 8D 0 0.00563 -0.02405 0.01259 0.00753 -0.00576 107 8D+1 0.02760 -0.00586 0.01056 0.01609 -0.01142 108 8D-1 0.00042 0.00983 0.01390 -0.02562 -0.00287 109 8D+2 0.00481 0.00047 0.00714 0.00782 0.00234 110 8D-2 -0.01110 -0.01636 0.00433 -0.00670 0.00586 111 6 Cu 1S -0.00604 -0.00113 -0.00586 -0.01422 0.01889 112 2S 0.09567 0.01247 -0.05763 -0.13015 0.20521 113 3S 5.72907 1.04993 -1.14774 -2.88647 5.10693 114 4PX -0.05598 0.01058 0.00759 0.05175 -0.04689 115 4PY 0.06683 0.02745 -0.04234 -0.01081 0.06926 116 4PZ -0.00939 0.00428 -0.06376 0.01856 -0.00848 117 5PX 1.34859 -0.26605 -0.05297 -1.04665 1.16634 118 5PY -1.61929 -0.56623 1.02536 0.14421 -2.03334 119 5PZ 0.58266 -0.00813 1.85269 -0.49800 0.25796 120 6PX 0.61151 0.97831 -0.94582 0.07072 0.86474 121 6PY -1.32029 1.11406 -1.64465 1.33162 0.31435 122 6PZ -0.51879 1.17183 -2.50844 2.08634 1.21394 123 7D 0 0.00542 0.02769 -0.00873 -0.02274 -0.05537 124 7D+1 0.01640 0.03336 0.08252 0.00031 -0.00176 125 7D-1 -0.01365 0.02011 -0.05770 -0.03408 -0.00977 126 7D+2 -0.01919 -0.04262 0.02923 -0.03219 -0.05644 127 7D-2 -0.05389 -0.00320 0.05252 0.00290 -0.03214 128 8D 0 -0.00351 0.01219 0.01218 -0.01260 -0.01864 129 8D+1 0.02247 0.00554 0.02589 -0.01937 0.00138 130 8D-1 -0.01170 0.01286 -0.02962 -0.00899 -0.01145 131 8D+2 -0.00984 -0.01854 0.01374 0.00093 -0.00768 132 8D-2 -0.01733 0.00338 0.00570 -0.00477 -0.02384 133 7 Cu 1S 0.00439 0.01028 0.00436 -0.00498 -0.02275 134 2S -0.05278 0.07880 -0.00982 -0.08771 -0.20032 135 3S -5.54297 0.25333 -2.83657 -3.90222 -4.31532 136 4PX 0.01969 -0.00257 0.01910 0.04307 0.01871 137 4PY 0.04276 0.00361 0.01411 0.01921 0.08025 138 4PZ -0.00265 0.01351 -0.01569 -0.00027 -0.04128 139 5PX -0.60477 -0.14072 -0.46112 -1.13607 0.09943 140 5PY -1.36143 -0.15790 -0.31269 -0.06440 -2.06977 141 5PZ -0.14447 -0.42193 0.65941 0.14852 1.45705 142 6PX -0.68539 -0.16008 -0.28790 -0.19317 -0.50225 143 6PY -1.22937 0.62715 0.04199 0.16076 -0.20242 144 6PZ -1.21500 0.29095 0.62837 1.07848 0.66226 145 7D 0 0.03116 0.03868 -0.04983 -0.05594 -0.00824 146 7D+1 -0.09286 0.02394 0.01505 -0.01673 0.04232 147 7D-1 0.06059 0.03023 0.02388 -0.02377 0.04481 148 7D+2 0.01518 -0.03079 -0.01670 -0.04295 0.09592 149 7D-2 0.00562 -0.01674 -0.02610 -0.00550 0.00953 150 8D 0 0.00877 0.02546 -0.01813 -0.01715 -0.00367 151 8D+1 -0.03070 0.00289 -0.00379 -0.01224 0.01499 152 8D-1 0.02327 0.00466 0.01600 -0.00299 0.01816 153 8D+2 0.00031 -0.00068 -0.00897 -0.01996 0.02795 154 8D-2 -0.00375 -0.00836 -0.00598 0.00525 0.00433 155 8 Cu 1S 0.00833 -0.00763 0.00172 -0.00934 0.01434 156 2S -0.00839 -0.12256 -0.02155 0.00681 0.12662 157 3S -6.88315 -5.30124 -1.20244 4.55172 3.45757 158 4PX 0.01219 0.02946 -0.02527 0.02582 -0.00521 159 4PY -0.02152 -0.05947 0.01360 -0.00097 0.03999 160 4PZ -0.02429 -0.04857 -0.04167 0.04859 0.02026 161 5PX -0.20624 -0.78456 0.56818 -0.79280 0.62367 162 5PY 0.78861 1.36287 -0.36678 0.00878 -1.26973 163 5PZ 1.04602 1.33322 1.05381 -1.64311 -0.47787 164 6PX -1.17258 1.04221 -1.85110 1.82340 1.00733 165 6PY -0.38641 -0.66461 2.01279 -0.74626 -0.13018 166 6PZ 0.46026 1.41334 -1.33627 0.17263 -0.06452 167 7D 0 -0.02310 -0.03166 -0.01889 0.06288 -0.02747 168 7D+1 -0.01668 0.02961 -0.01767 0.05507 -0.03658 169 7D-1 -0.03435 -0.03471 -0.01346 0.05451 0.02908 170 7D+2 0.00681 0.03564 -0.05938 0.02146 -0.06477 171 7D-2 0.06166 0.04291 0.00055 0.03366 -0.02777 172 8D 0 -0.01605 -0.01258 -0.02022 0.02839 0.00557 173 8D+1 -0.00663 0.01441 -0.01266 0.00257 -0.02283 174 8D-1 -0.00987 -0.02517 0.00043 0.02012 0.01397 175 8D+2 0.00093 0.00636 -0.00882 0.01214 -0.00918 176 8D-2 0.01591 0.01491 0.00044 0.00939 -0.00958 177 9 C 1S 0.00542 0.01220 0.00955 -0.00967 -0.02801 178 2S 0.02234 -0.03727 -0.01143 0.02757 0.08791 179 3S -0.35059 -0.09586 -0.24529 0.14789 0.45064 180 4PX -0.04413 -0.09471 0.00768 -0.04264 0.01476 181 4PY -0.01807 -0.03091 -0.02340 0.04123 0.03175 182 4PZ 0.09262 0.01211 0.14685 -0.17738 -0.08323 183 5PX 0.08768 -0.14233 0.04542 -0.08276 -0.23338 184 5PY -0.13492 0.03852 -0.16078 0.12043 -0.05263 185 5PZ -0.03246 0.03893 0.22198 -0.00931 0.06747 186 10 O 1S -0.00329 -0.00084 -0.00031 -0.00442 0.01441 187 2S 0.01140 -0.00100 0.00487 0.00923 -0.03892 188 3S 0.02541 0.02911 -0.01660 0.05995 -0.14124 189 4PX -0.01205 0.03560 -0.00111 0.02584 0.01121 190 4PY 0.01565 0.03517 0.02583 -0.01263 -0.04159 191 4PZ -0.01418 -0.00133 -0.06344 0.02577 0.01773 192 5PX -0.00506 0.03443 -0.01501 0.01137 0.07204 193 5PY 0.03821 0.02569 0.03722 -0.00069 -0.07137 194 5PZ -0.00672 -0.00180 -0.06795 0.03952 -0.02107 136 137 138 139 140 V V V V V EIGENVALUES -- 0.31203 0.33141 0.33637 0.38706 0.41188 1 1 Cu 1S -0.01973 0.01719 0.02646 0.00085 0.01367 2 2S -0.09042 0.13628 0.35761 -0.02952 0.07136 3 3S 0.44258 2.13834 12.39936 -1.19402 0.98039 4 4PX -0.02742 0.04661 0.06976 0.01100 0.00011 5 4PY -0.00285 -0.01172 0.10631 -0.02453 0.02236 6 4PZ -0.02721 -0.07135 0.01547 -0.01788 0.02255 7 5PX 1.21035 -1.98346 -1.70573 -0.09156 0.10919 8 5PY -0.34509 1.13345 -3.50131 0.77195 -0.77008 9 5PZ 1.56748 3.95549 -0.91521 0.99631 -0.55522 10 6PX -0.94677 -3.21695 -1.26639 -1.52814 1.26991 11 6PY 1.01105 3.22977 -1.51493 1.98467 -1.46159 12 6PZ 1.94417 8.17651 -1.14390 3.11305 -4.24626 13 7D 0 0.01317 -0.00534 -0.07037 0.01983 -0.00467 14 7D+1 -0.03076 -0.04379 -0.00491 -0.01107 -0.01840 15 7D-1 -0.01493 -0.06422 0.01927 -0.00401 0.00754 16 7D+2 -0.12884 0.04717 -0.07427 -0.00008 -0.00752 17 7D-2 -0.06818 0.00068 0.03057 0.00628 0.00643 18 8D 0 0.00266 0.00189 -0.00855 -0.01044 -0.00329 19 8D+1 -0.00803 -0.02120 0.00313 -0.00220 0.01157 20 8D-1 -0.01553 -0.02962 0.01220 -0.00965 -0.02003 21 8D+2 -0.02905 0.01501 -0.01602 -0.00163 -0.00240 22 8D-2 -0.01874 0.00839 0.00719 -0.02135 -0.00150 23 2 Cu 1S -0.01603 0.01854 -0.00778 -0.00735 -0.00644 24 2S -0.15539 0.13834 -0.09565 -0.03993 -0.03004 25 3S -3.62759 3.06910 -3.65815 -0.65636 0.07835 26 4PX -0.06944 0.03814 -0.02415 -0.02559 0.00023 27 4PY 0.08925 -0.02056 0.11719 0.00534 0.00753 28 4PZ -0.01722 -0.05800 0.01055 -0.01521 -0.03529 29 5PX 2.10815 -1.65923 0.49558 1.08987 -0.04904 30 5PY -2.67856 1.18271 -3.80741 0.05076 -0.57884 31 5PZ 0.63944 2.56829 -0.60106 0.63823 1.28322 32 6PX -0.05915 0.45422 0.21541 2.65731 -0.73004 33 6PY -0.74572 0.36862 -0.81226 0.37112 -1.10459 34 6PZ 0.03789 -0.40974 -0.37027 0.01696 5.31059 35 7D 0 0.01882 -0.00135 -0.00737 0.00836 0.00748 36 7D+1 0.01430 -0.01227 -0.02234 -0.00210 -0.00931 37 7D-1 0.03789 0.06393 0.01594 -0.00017 -0.02924 38 7D+2 -0.06503 0.04083 0.04480 -0.00824 0.00849 39 7D-2 0.03993 -0.00344 -0.04448 -0.01944 0.00264 40 8D 0 -0.00913 0.00480 0.00804 -0.01413 -0.02617 41 8D+1 0.00279 -0.00651 -0.00426 -0.00690 0.02048 42 8D-1 0.02856 0.01862 0.00534 -0.00432 -0.02619 43 8D+2 -0.02711 0.00889 -0.00360 0.02703 -0.02161 44 8D-2 0.00994 -0.00595 -0.01209 -0.03623 -0.00068 45 3 Cu 1S -0.01016 -0.02273 0.02580 -0.00214 -0.03375 46 2S -0.03251 0.02208 0.05681 0.01172 -0.10668 47 3S 2.01755 7.83262 -3.09256 2.08443 -0.85276 48 4PX 0.01213 0.03117 -0.00609 0.00574 -0.00652 49 4PY -0.00645 0.01107 0.00062 0.00755 -0.01528 50 4PZ -0.00600 -0.03511 0.02071 -0.00904 0.01135 51 5PX -0.14965 -1.16378 0.21956 -0.17597 0.26973 52 5PY -0.07545 0.14751 -0.68101 0.10701 -0.37637 53 5PZ 0.66213 2.09906 -0.79846 0.54700 -0.26598 54 6PX 0.51060 0.69627 0.45098 -0.10824 -0.05993 55 6PY 0.09262 1.29524 0.05902 0.73863 -1.44533 56 6PZ 0.08409 0.54638 -0.16531 -0.01687 -0.59887 57 7D 0 0.03272 0.01478 -0.01456 0.00486 -0.01145 58 7D+1 -0.06539 -0.00372 0.03492 -0.03826 0.01256 59 7D-1 -0.00335 0.03237 -0.04517 0.02157 -0.02768 60 7D+2 -0.01458 -0.03144 0.00567 -0.02533 -0.01115 61 7D-2 0.01555 0.00626 0.02857 0.02231 0.02414 62 8D 0 0.01310 0.03947 -0.02105 0.02164 -0.00852 63 8D+1 -0.00083 -0.04827 0.00666 0.00796 -0.00294 64 8D-1 -0.00849 0.02126 -0.02401 0.00497 -0.01262 65 8D+2 -0.01310 -0.00020 -0.00686 0.01438 -0.02500 66 8D-2 -0.00348 -0.01338 0.01481 -0.01391 -0.00630 67 4 Cu 1S 0.02109 0.00701 0.00256 -0.01079 -0.00872 68 2S 0.20507 0.08105 -0.00772 0.02840 0.01549 69 3S 4.10512 3.68149 -0.92260 2.50279 1.55917 70 4PX -0.04351 0.00157 0.01383 -0.01124 -0.01974 71 4PY 0.00659 0.00413 -0.00355 0.00450 0.00169 72 4PZ -0.05768 -0.04111 0.00760 -0.01816 -0.00155 73 5PX 1.44017 -0.75530 -0.54905 0.48881 0.46094 74 5PY -0.42307 0.14392 -0.85489 -0.20110 -0.37153 75 5PZ 1.44369 2.07489 -0.33246 0.61449 0.14820 76 6PX 0.35162 1.16229 -0.07503 0.34338 0.25264 77 6PY 0.12215 -0.29607 0.24656 -0.43952 -1.55324 78 6PZ 0.18081 -0.57766 -0.38830 -0.17558 0.22565 79 7D 0 -0.04579 0.05588 0.03440 -0.02163 -0.01099 80 7D+1 0.06183 -0.02424 -0.03149 0.03462 -0.01084 81 7D-1 -0.03277 -0.00108 -0.07780 -0.01789 -0.01268 82 7D+2 0.03377 -0.04926 -0.01444 -0.01487 0.01771 83 7D-2 -0.04654 0.00207 -0.07350 -0.02316 -0.04522 84 8D 0 0.00241 0.04466 -0.02142 0.00775 0.00751 85 8D+1 0.02582 0.01946 -0.01997 0.00080 0.00716 86 8D-1 -0.00215 0.00291 -0.00958 0.00969 -0.00527 87 8D+2 -0.00413 -0.00815 -0.01038 0.00626 -0.01286 88 8D-2 -0.00864 0.01269 -0.03227 0.00418 0.01410 89 5 Cu 1S -0.00473 -0.00756 0.01705 0.00597 0.02297 90 2S -0.09885 -0.08068 0.05647 0.00098 0.02685 91 3S -3.74806 -2.24798 -0.55159 -1.29098 -1.77872 92 4PX -0.02057 -0.01682 0.01582 -0.00039 -0.00035 93 4PY -0.01279 -0.00706 -0.00910 -0.00056 0.00309 94 4PZ -0.04616 -0.03254 -0.00886 -0.00450 -0.00850 95 5PX 1.06176 -0.14334 -0.45246 0.13490 -0.09566 96 5PY 0.00112 0.31416 -0.68620 0.22565 0.11398 97 5PZ 1.19998 1.50577 0.05999 0.37141 0.43344 98 6PX 0.56965 0.04482 0.38411 -0.55233 -0.12800 99 6PY -0.41360 -0.60144 0.13510 0.00723 2.38684 100 6PZ 0.23619 -0.54176 0.36687 -0.05688 0.69671 101 7D 0 0.03586 -0.04603 0.00398 -0.00722 -0.02370 102 7D+1 -0.02372 -0.02231 0.02960 0.01791 0.01448 103 7D-1 0.00411 -0.00341 0.05788 -0.01378 -0.02647 104 7D+2 -0.02889 0.04574 0.04612 -0.01844 0.03171 105 7D-2 -0.03097 -0.02039 0.01923 0.00349 0.00204 106 8D 0 -0.00789 -0.03408 -0.00312 0.00082 0.00632 107 8D+1 -0.02714 0.00983 -0.00344 -0.02094 -0.00467 108 8D-1 0.02730 0.01210 0.03268 -0.00007 -0.00299 109 8D+2 -0.01916 0.00487 -0.01013 0.00870 -0.00097 110 8D-2 0.00498 -0.00261 0.00506 -0.00547 0.00573 111 6 Cu 1S 0.01683 -0.02029 0.02749 0.00558 0.00124 112 2S 0.08215 -0.10566 0.03299 0.01206 -0.00474 113 3S -0.76264 -0.62429 -3.33792 -0.34748 -0.84244 114 4PX -0.01133 0.00776 0.03154 0.00005 0.00861 115 4PY 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0.01192 -0.06144 135 3S 4.70727 -7.22971 -1.00437 1.28576 -1.74993 136 4PX -0.07440 0.06862 0.04862 -0.01231 0.02090 137 4PY -0.03638 0.01111 0.00583 -0.00403 0.00406 138 4PZ 0.00341 -0.06152 -0.02050 0.00466 0.00282 139 5PX 2.43621 -2.02289 -0.99497 0.54315 -0.51199 140 5PY 0.18973 0.09051 -0.86515 -0.06071 -0.00252 141 5PZ 0.44949 2.54386 0.02021 0.12482 0.16685 142 6PX 0.61846 -0.70753 -0.40473 0.32244 -0.26835 143 6PY 0.64591 -1.32915 0.05169 -1.15228 1.64498 144 6PZ -0.14710 -0.44602 0.41296 -0.87904 0.78671 145 7D 0 -0.07163 -0.02220 0.03121 -0.02134 0.01851 146 7D+1 -0.00528 0.08653 -0.01853 -0.01795 0.01087 147 7D-1 0.04956 0.02300 0.03245 0.03551 -0.00826 148 7D+2 0.08409 -0.05198 0.00414 -0.00150 -0.00454 149 7D-2 -0.01258 0.02154 -0.09224 -0.00715 0.01188 150 8D 0 -0.02547 -0.01477 -0.00393 -0.00647 -0.01471 151 8D+1 0.00086 0.03472 -0.00098 0.01089 0.00477 152 8D-1 0.01351 0.00952 0.00867 -0.00895 -0.00128 153 8D+2 0.02205 -0.01067 -0.01134 0.00691 0.00554 154 8D-2 -0.01132 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EIGENVALUES -- 0.66973 0.67933 0.71014 0.72095 0.73992 1 1 Cu 1S -0.02217 -0.12827 0.05460 -0.06306 0.07753 2 2S -0.06661 -0.19019 0.04076 -0.03761 0.10901 3 3S -0.43723 4.45274 -2.31437 3.56811 -1.77875 4 4PX -0.00572 0.00065 -0.00987 -0.00010 -0.01396 5 4PY -0.00315 -0.00368 -0.02050 0.01957 0.00824 6 4PZ 0.00020 -0.00483 -0.00098 0.01139 0.00461 7 5PX 0.03658 -0.31927 0.69151 -0.13953 0.75940 8 5PY 0.17157 -0.11384 0.69251 -0.84163 -0.31220 9 5PZ 0.26285 0.63113 0.01788 -0.08685 -0.04498 10 6PX -0.44066 -0.36185 1.42193 -0.20949 0.56560 11 6PY 0.85779 -0.24114 -0.83872 -0.52866 -0.35820 12 6PZ 0.30530 1.31566 -2.63317 -1.31073 0.69657 13 7D 0 0.00643 -0.01173 -0.03906 0.02735 -0.10561 14 7D+1 0.06292 0.15306 0.06388 0.08676 0.03372 15 7D-1 0.05414 0.11413 -0.02693 -0.11483 0.00560 16 7D+2 0.02058 -0.02080 0.06369 0.00941 0.09695 17 7D-2 -0.04423 0.02629 -0.03514 0.04343 -0.11635 18 8D 0 0.00087 0.06926 0.06002 -0.03819 0.15000 19 8D+1 -0.09796 -0.24909 -0.12334 -0.16918 -0.03709 20 8D-1 -0.08230 -0.14685 0.02701 0.17001 -0.02601 21 8D+2 -0.01151 0.03089 -0.09102 -0.03742 -0.17396 22 8D-2 0.06011 -0.04874 0.03282 -0.05969 0.19248 23 2 Cu 1S 0.02439 0.01089 0.01386 0.01564 -0.04282 24 2S 0.01109 0.03332 0.03485 0.00979 -0.04199 25 3S 2.39126 0.82848 -0.17188 -0.81212 -0.71965 26 4PX 0.00406 0.00128 -0.02362 0.00036 -0.01277 27 4PY -0.00749 -0.01806 -0.00426 0.02354 0.02949 28 4PZ -0.00807 -0.01675 0.00198 -0.00156 0.00479 29 5PX 0.02542 -0.06003 0.80645 -0.14952 0.49674 30 5PY -0.08900 0.32757 0.35584 -0.67142 -0.28409 31 5PZ 0.18695 0.54740 0.05763 0.19525 0.04915 32 6PX -0.40020 0.32154 -0.28644 -0.05121 0.49619 33 6PY 1.27723 -0.49199 -0.22873 0.12108 0.01356 34 6PZ 0.04863 0.07855 0.62386 -0.20142 -0.59498 35 7D 0 0.01963 -0.12265 -0.09262 -0.03202 0.10491 36 7D+1 -0.00574 -0.13714 0.08942 0.09373 -0.03289 37 7D-1 -0.11510 -0.03145 0.05113 -0.02643 -0.03255 38 7D+2 0.08664 -0.05378 0.12464 -0.02611 0.00357 39 7D-2 0.07490 -0.01350 -0.08556 0.04683 0.02742 40 8D 0 -0.02888 0.20120 0.15211 0.06360 -0.16860 41 8D+1 -0.00215 0.20175 -0.16429 -0.16891 0.05524 42 8D-1 0.17574 0.04829 -0.08103 0.00755 0.04914 43 8D+2 -0.13335 0.09347 -0.20327 0.07091 -0.02388 44 8D-2 -0.11963 0.02305 0.13148 -0.05506 -0.05871 45 3 Cu 1S 0.01393 0.06784 0.08490 0.04371 -0.02559 46 2S 0.04658 0.13154 0.10287 0.04103 -0.07493 47 3S -0.30942 -0.68118 -2.74133 -2.50864 0.03477 48 4PX 0.00187 -0.00216 -0.00669 -0.00244 -0.00179 49 4PY -0.00237 0.00672 0.00630 -0.01368 -0.00642 50 4PZ 0.00019 0.00247 0.00926 0.00464 0.00244 51 5PX -0.03669 0.13097 0.55973 0.44907 0.09433 52 5PY 0.10537 -0.14956 0.08645 -0.14501 0.01755 53 5PZ 0.06419 -0.12453 -0.41892 -0.40918 -0.11344 54 6PX 0.27198 0.23758 -0.18259 0.16340 -0.31432 55 6PY -0.21851 0.39645 -0.66763 -0.14856 0.51627 56 6PZ -0.13791 -0.47574 -0.36449 -0.40495 -0.04889 57 7D 0 0.02964 0.10013 -0.03349 0.00704 -0.02296 58 7D+1 -0.05803 -0.07990 0.13415 0.03279 0.05693 59 7D-1 -0.06412 -0.06067 0.08109 0.00340 -0.08483 60 7D+2 -0.00133 -0.04040 -0.02962 -0.07927 -0.07298 61 7D-2 -0.00788 -0.09126 -0.01053 0.05454 0.11022 62 8D 0 -0.03446 -0.16077 0.05017 -0.03570 0.03582 63 8D+1 0.07637 0.13255 -0.17580 -0.01347 -0.09059 64 8D-1 0.09044 0.07607 -0.10713 -0.03649 0.11661 65 8D+2 -0.00190 0.04143 0.02532 0.09036 0.10023 66 8D-2 0.01630 0.14713 0.00908 -0.08021 -0.17431 67 4 Cu 1S -0.02637 0.04129 -0.14204 -0.05177 -0.00856 68 2S -0.03432 0.13480 -0.19068 -0.04401 -0.02532 69 3S 0.83566 1.49272 4.19278 2.63078 -0.07235 70 4PX -0.00187 -0.00763 -0.01641 -0.02276 -0.00651 71 4PY -0.00626 -0.00843 -0.00032 -0.00212 0.00051 72 4PZ -0.00709 -0.00880 -0.01048 0.00063 -0.00120 73 5PX 0.05470 0.05543 0.84657 0.38887 0.40293 74 5PY 0.15397 0.12879 0.12606 -0.10191 -0.34015 75 5PZ 0.38709 0.44713 0.72682 0.42621 -0.06777 76 6PX -0.00844 -0.11325 -0.13530 -0.21703 -0.17735 77 6PY 0.07625 -0.25181 0.31123 0.16980 0.01781 78 6PZ -0.00208 -0.05828 0.81530 0.52002 0.09040 79 7D 0 0.01261 0.12192 0.11047 -0.03781 -0.03449 80 7D+1 0.04688 0.17896 0.04072 0.06448 -0.00294 81 7D-1 -0.01156 0.05838 -0.05141 0.11599 0.03760 82 7D+2 0.01154 0.04446 -0.10458 -0.12028 -0.10212 83 7D-2 0.03735 0.12734 -0.05387 -0.05874 -0.04280 84 8D 0 0.00174 -0.16110 -0.13435 0.09090 0.04378 85 8D+1 -0.05990 -0.26656 -0.04393 -0.11045 0.01924 86 8D-1 0.01766 -0.07901 0.08459 -0.17461 -0.07762 87 8D+2 -0.00993 -0.06684 0.17519 0.18532 0.17496 88 8D-2 -0.04349 -0.17802 0.07413 0.07005 0.07782 89 5 Cu 1S 0.01847 0.12969 -0.01103 -0.02443 0.01751 90 2S 0.00821 0.20654 -0.03822 -0.03850 -0.03129 91 3S -0.90725 -2.73730 0.52254 0.47795 -1.30151 92 4PX -0.00084 -0.00796 0.00377 -0.00855 -0.00544 93 4PY -0.00193 0.00539 -0.00272 0.00574 0.00517 94 4PZ -0.00500 -0.00782 -0.00634 -0.00059 -0.00912 95 5PX -0.00559 0.19958 0.01865 -0.13106 0.39524 96 5PY 0.10792 -0.12768 0.28752 -0.13645 -0.21834 97 5PZ 0.25098 0.76729 0.07684 0.00515 0.27433 98 6PX 0.30630 0.10233 -0.13995 0.08691 -0.27221 99 6PY -0.53723 0.05950 0.35117 -0.19961 -0.17658 100 6PZ -0.28997 0.37561 -0.06278 -0.18999 0.01082 101 7D 0 -0.05433 -0.04079 -0.06183 0.03467 0.03375 102 7D+1 -0.05344 -0.03179 -0.15939 -0.05937 -0.10593 103 7D-1 -0.02986 -0.10339 0.00764 -0.09825 0.11650 104 7D+2 0.01657 -0.02720 -0.01263 -0.09158 0.01483 105 7D-2 0.04787 0.17438 -0.04949 -0.06814 0.19694 106 8D 0 0.06975 0.02464 0.09223 -0.05363 -0.03617 107 8D+1 0.07671 0.02441 0.24047 0.10433 0.14953 108 8D-1 0.03401 0.16184 -0.03400 0.14912 -0.17231 109 8D+2 -0.01636 0.04829 -0.01101 0.13820 -0.02817 110 8D-2 -0.06865 -0.26200 0.06807 0.09483 -0.30853 111 6 Cu 1S 0.01836 0.05120 0.01321 0.01867 -0.13886 112 2S 0.03994 0.09791 0.02457 0.02339 -0.16731 113 3S -0.09613 -0.49963 -0.44455 -0.71511 3.66651 114 4PX 0.00001 -0.00082 -0.00077 0.00597 -0.01189 115 4PY 0.00234 -0.00341 -0.00212 -0.00811 0.01880 116 4PZ 0.00054 -0.00898 0.00011 -0.00297 0.00066 117 5PX -0.00063 -0.14953 0.11342 -0.28062 0.82151 118 5PY 0.00333 0.09437 0.19375 0.01707 -0.76758 119 5PZ 0.11952 0.46139 0.16807 0.02947 0.13916 120 6PX -0.11321 0.02026 0.03990 -0.20641 0.39458 121 6PY 0.09024 0.18229 0.46162 0.29312 -0.15032 122 6PZ 0.23019 -0.26915 0.64802 0.68067 0.25127 123 7D 0 -0.03412 -0.07123 -0.04191 0.08554 0.07975 124 7D+1 -0.02582 -0.05460 -0.03423 -0.19200 0.02803 125 7D-1 -0.03799 -0.07751 0.14264 0.10842 -0.07229 126 7D+2 0.02733 0.00278 0.03572 -0.01245 0.03147 127 7D-2 -0.02388 -0.02324 0.02111 -0.08633 -0.21808 128 8D 0 0.04160 0.10449 0.05805 -0.14307 -0.14690 129 8D+1 0.03984 0.09408 0.05895 0.28410 -0.01644 130 8D-1 0.04108 0.08709 -0.22186 -0.16138 0.12556 131 8D+2 -0.03824 -0.02112 -0.02473 -0.00001 -0.04136 132 8D-2 0.03402 0.04913 -0.03326 0.14062 0.31050 133 7 Cu 1S 0.00606 0.04320 -0.00742 0.12787 -0.02496 134 2S -0.01915 0.06039 0.00958 0.18687 -0.03814 135 3S -1.32660 -1.01980 0.28821 -3.21991 0.63217 136 4PX 0.00752 0.00993 -0.00441 0.01154 -0.01648 137 4PY 0.00195 0.01796 -0.00357 0.00929 0.00023 138 4PZ -0.00720 -0.01209 0.00231 -0.00556 -0.00408 139 5PX -0.19224 -0.21164 0.37352 -0.64901 0.75318 140 5PY 0.02710 -0.28441 0.04162 -0.32927 -0.42018 141 5PZ 0.37199 0.65477 0.04466 0.47507 0.14708 142 6PX 0.03556 -0.12226 0.02857 -0.24570 0.40755 143 6PY -0.33875 0.08463 0.67981 -0.43546 -0.39618 144 6PZ 0.13360 0.47502 0.73253 0.64379 -0.11697 145 7D 0 0.03890 0.02375 0.19676 0.03042 -0.04445 146 7D+1 0.02312 -0.08475 -0.13224 -0.05182 0.00517 147 7D-1 0.02025 -0.07232 0.01523 -0.00644 0.02952 148 7D+2 -0.04889 -0.00224 0.01397 0.00288 -0.11639 149 7D-2 -0.02890 -0.09871 -0.01715 0.09441 -0.05492 150 8D 0 -0.06189 -0.03743 -0.31750 -0.06792 0.06804 151 8D+1 -0.01772 0.15146 0.17415 0.08851 -0.00724 152 8D-1 -0.02851 0.12518 -0.01345 0.02573 -0.03184 153 8D+2 0.06777 -0.00167 -0.01934 -0.02620 0.22254 154 8D-2 0.04799 0.12985 0.02697 -0.14791 0.09360 155 8 Cu 1S 0.02114 0.06639 -0.00090 0.03155 0.00734 156 2S 0.04428 0.09153 -0.03662 0.07309 0.01119 157 3S -0.12079 -1.82813 0.62843 0.54652 -0.42425 158 4PX -0.00178 -0.00508 0.00451 0.01061 -0.00218 159 4PY 0.00132 -0.00981 -0.00926 0.00522 0.00780 160 4PZ 0.00062 -0.00558 -0.00470 0.00720 -0.00549 161 5PX 0.00703 0.02803 -0.04103 -0.20571 0.33993 162 5PY -0.01958 0.14481 0.13392 -0.14429 -0.20661 163 5PZ 0.06599 0.56058 0.06731 -0.06101 0.16175 164 6PX 0.10699 -0.26808 0.66651 0.46057 0.23835 165 6PY -0.38327 0.08353 0.13755 -0.01299 -0.15382 166 6PZ 0.34942 0.08703 -0.25602 0.08870 0.13361 167 7D 0 0.00824 0.01611 -0.01911 -0.15840 0.01247 168 7D+1 -0.04033 -0.14792 0.00520 -0.05303 0.10325 169 7D-1 0.01988 -0.02548 -0.17498 0.05451 0.05342 170 7D+2 0.00850 0.13448 -0.03086 0.01998 0.10611 171 7D-2 0.02101 -0.01201 -0.04155 -0.07483 0.13076 172 8D 0 -0.01307 -0.05167 0.02026 0.21839 -0.01596 173 8D+1 0.05325 0.21360 -0.00197 0.08646 -0.17943 174 8D-1 -0.02769 0.01504 0.27529 -0.10710 -0.08594 175 8D+2 -0.01743 -0.21495 0.03761 -0.04403 -0.17808 176 8D-2 -0.02930 0.03265 0.06564 0.12788 -0.20637 177 9 C 1S 0.05355 -0.02627 0.00065 0.02294 0.00550 178 2S 0.32457 0.01259 -0.07371 -0.31541 -0.10613 179 3S -0.21259 -0.12650 0.07460 0.25432 0.08581 180 4PX -0.09333 -0.01096 0.06563 -0.05831 0.09603 181 4PY 0.40443 0.06184 0.01631 0.00843 -0.29093 182 4PZ 0.07976 0.04314 0.01246 0.06146 -0.04069 183 5PX 0.12729 -0.08658 -0.54173 0.36677 -0.36135 184 5PY -0.68397 0.15625 -0.10222 0.11866 0.21101 185 5PZ -0.19415 -0.13432 -0.00242 -0.44970 -0.16159 186 10 O 1S 0.00798 -0.00592 -0.00121 -0.00415 0.00108 187 2S 0.05995 -0.02562 -0.00311 0.01577 0.02018 188 3S -0.26670 0.18318 0.01175 -0.02947 -0.06709 189 4PX -0.26189 0.01562 -0.37142 0.24994 -0.15491 190 4PY 0.79378 -0.22106 -0.11583 0.19854 -0.14426 191 4PZ 0.07317 -0.07135 0.05844 -0.34163 -0.19371 192 5PX 0.34840 -0.03527 0.65302 -0.46788 0.35041 193 5PY -0.98076 0.43210 0.22840 -0.22564 0.00241 194 5PZ -0.06825 0.14411 -0.08508 0.61783 0.31182 151 152 153 154 155 V V V V V EIGENVALUES -- 0.74648 0.75095 0.77018 0.78431 0.78707 1 1 Cu 1S -0.08587 0.05148 -0.02677 0.12885 0.05074 2 2S -0.14337 0.05000 -0.03793 0.15985 0.08259 3 3S 1.87282 -2.81527 1.29772 -3.66163 -1.16664 4 4PX 0.00736 -0.00780 0.00792 -0.01296 -0.00692 5 4PY -0.01553 -0.00374 0.00121 -0.01954 -0.00587 6 4PZ 0.01424 -0.00215 0.00051 -0.00366 -0.00595 7 5PX -0.55822 0.21815 -0.31587 0.70852 0.02563 8 5PY 0.48707 0.32948 -0.04975 0.72775 0.31096 9 5PZ 0.25206 0.40541 -0.22826 0.02696 -0.28069 10 6PX -0.22272 -0.95590 -0.05388 0.32186 1.36359 11 6PY -0.18628 1.21150 -0.15876 0.95176 -0.92522 12 6PZ 0.80110 2.89269 0.46675 0.27414 -1.81542 13 7D 0 -0.04291 0.03029 -0.07601 -0.10973 -0.10127 14 7D+1 0.01429 -0.13781 0.02620 0.04618 0.01715 15 7D-1 -0.08064 -0.00699 0.03478 -0.01979 0.06224 16 7D+2 -0.08598 0.02597 0.04103 -0.10637 0.02075 17 7D-2 -0.06472 -0.05587 -0.04937 0.14084 0.03792 18 8D 0 0.10728 -0.05040 0.11214 0.14712 0.14195 19 8D+1 -0.05491 0.23014 -0.03328 -0.02003 -0.01453 20 8D-1 0.12625 0.00590 -0.02782 -0.01814 -0.10944 21 8D+2 0.16491 -0.04735 -0.04862 0.16489 0.01928 22 8D-2 0.09953 0.08720 0.08323 -0.23120 -0.04947 23 2 Cu 1S -0.00420 -0.01077 -0.00226 -0.00579 -0.04337 24 2S 0.02822 -0.02584 -0.00024 -0.01011 0.01812 25 3S 2.85451 -0.49582 -0.08106 0.82479 3.25646 26 4PX 0.00972 -0.00480 -0.00622 0.00015 0.02657 27 4PY -0.04562 0.01333 -0.00272 -0.01602 -0.03207 28 4PZ -0.01324 -0.01402 0.00064 -0.00715 -0.00074 29 5PX -0.38146 0.02888 0.33488 0.35068 -0.85719 30 5PY 0.96906 -0.10388 -0.14192 0.59723 0.98228 31 5PZ 0.57264 0.40639 -0.36539 0.23540 -0.01904 32 6PX -0.33668 0.25944 -0.08366 0.24253 -0.48971 33 6PY 0.05568 0.28418 -0.28486 0.33801 0.05054 34 6PZ -0.66069 -0.81104 -0.01738 -0.15262 0.66100 35 7D 0 0.00651 -0.04039 0.06076 -0.04676 0.04355 36 7D+1 0.03192 -0.17004 -0.11741 -0.10382 -0.01495 37 7D-1 0.05430 -0.00265 -0.08833 0.06063 -0.04966 38 7D+2 -0.04996 0.09023 -0.06444 -0.04155 -0.00748 39 7D-2 -0.07149 0.03445 0.03384 0.04493 -0.11827 40 8D 0 -0.03445 0.05736 -0.11436 0.08864 -0.08818 41 8D+1 -0.06440 0.31267 0.19145 0.20034 0.01242 42 8D-1 -0.09483 -0.00525 0.13581 -0.11135 0.10257 43 8D+2 0.07315 -0.16021 0.09561 0.03605 -0.02631 44 8D-2 0.08509 -0.06660 -0.06738 -0.04894 0.20037 45 3 Cu 1S 0.02624 -0.12215 0.03548 0.00106 0.01940 46 2S 0.03947 -0.22200 0.08524 -0.01300 0.00663 47 3S -0.40539 3.96291 -0.27794 0.35979 -1.85511 48 4PX 0.00129 0.01246 0.00022 -0.00126 -0.00474 49 4PY 0.00084 -0.00525 0.00168 -0.00431 -0.00367 50 4PZ -0.00046 -0.00868 0.00305 -0.00100 0.00445 51 5PX -0.01922 -0.55712 -0.02261 0.02511 0.26542 52 5PY 0.08137 0.06108 -0.02914 0.11508 0.13443 53 5PZ -0.11260 0.70067 -0.10877 -0.00564 -0.32125 54 6PX 0.20994 -0.12012 0.17414 -0.18485 -0.30878 55 6PY 0.25789 0.71425 0.11508 -0.01115 -0.40956 56 6PZ -0.24499 0.61337 0.01211 0.17719 -0.36392 57 7D 0 -0.05653 0.11330 0.13377 -0.07587 0.05035 58 7D+1 -0.01669 0.16616 -0.00520 0.12079 0.04164 59 7D-1 0.07418 -0.06288 -0.11443 -0.12056 -0.05292 60 7D+2 0.04555 -0.08659 -0.01647 0.04579 -0.05266 61 7D-2 0.05021 -0.07765 0.13573 -0.06210 0.02485 62 8D 0 0.07125 -0.15184 -0.21957 0.11408 -0.08768 63 8D+1 0.04358 -0.31206 0.00924 -0.20478 -0.04440 64 8D-1 -0.11453 0.11402 0.17011 0.19477 0.08778 65 8D+2 -0.06152 0.13295 0.02695 -0.07189 0.08064 66 8D-2 -0.08045 0.12749 -0.21518 0.10964 -0.04559 67 4 Cu 1S 0.01500 0.05366 0.01856 -0.02585 0.00067 68 2S 0.01217 0.04479 0.00116 -0.03312 -0.00527 69 3S -0.20171 -2.26321 -1.06799 0.27302 0.33113 70 4PX 0.00111 0.00666 0.00435 0.00070 0.00059 71 4PY -0.00043 -0.00366 0.00969 0.00139 -0.00996 72 4PZ 0.00405 0.00933 0.00296 0.00059 0.00798 73 5PX -0.18860 -0.29632 -0.20585 0.22589 -0.19710 74 5PY -0.03450 -0.00911 -0.17330 0.39861 0.44817 75 5PZ -0.09459 -0.29420 -0.26974 -0.09046 0.07044 76 6PX -0.54170 0.18542 0.22954 0.03200 -0.07956 77 6PY 0.58227 -0.16787 0.14289 0.17652 0.11600 78 6PZ 0.02865 -0.57152 -0.44973 -0.05206 0.49716 79 7D 0 -0.11068 0.06812 -0.05739 0.11397 -0.00510 80 7D+1 -0.03546 -0.10233 0.01942 -0.08440 0.15417 81 7D-1 -0.04547 -0.02709 0.11400 0.06499 -0.11500 82 7D+2 0.01281 -0.13956 -0.07801 0.03800 -0.05028 83 7D-2 -0.00517 -0.00199 0.01419 0.03192 0.03465 84 8D 0 0.18446 -0.11381 0.07981 -0.21555 0.03904 85 8D+1 0.03654 0.17730 -0.03927 0.14847 -0.26885 86 8D-1 0.05843 0.05023 -0.18080 -0.06313 0.19723 87 8D+2 -0.01610 0.18816 0.11284 -0.06379 0.08884 88 8D-2 0.00953 -0.00094 -0.02854 -0.03795 -0.03781 89 5 Cu 1S 0.02694 0.01050 -0.03198 0.07713 -0.01529 90 2S 0.06488 0.02802 -0.03936 0.13136 -0.06356 91 3S 0.01226 -0.43695 0.51975 -1.89990 -0.26222 92 4PX -0.00457 0.00100 0.00085 -0.00079 -0.00714 93 4PY 0.00314 -0.00394 0.00157 -0.00101 -0.00364 94 4PZ -0.00645 -0.00022 0.00386 -0.01114 -0.00374 95 5PX -0.31258 0.04737 -0.09406 0.40417 0.08144 96 5PY 0.24630 0.25579 0.02479 0.21780 0.03562 97 5PZ 0.20277 0.12322 -0.12824 0.37942 0.12039 98 6PX -0.05929 0.17647 -0.10183 0.26874 -0.19792 99 6PY -0.46530 -0.71142 -0.03336 -0.26366 0.43078 100 6PZ -0.14109 -0.46107 0.14919 0.10533 0.47252 101 7D 0 0.17782 -0.11840 -0.08594 0.03220 -0.07784 102 7D+1 0.07776 0.18576 0.13365 0.04731 0.00982 103 7D-1 -0.11240 -0.00785 0.02217 0.02602 0.12553 104 7D+2 0.10788 -0.06970 0.06315 0.16133 0.00659 105 7D-2 0.07445 0.04687 -0.12657 -0.06867 0.01934 106 8D 0 -0.29500 0.17801 0.13046 -0.05487 0.11860 107 8D+1 -0.09827 -0.30748 -0.20619 -0.09842 -0.01442 108 8D-1 0.15829 -0.00194 -0.02547 -0.05621 -0.21556 109 8D+2 -0.14303 0.11904 -0.09813 -0.28473 0.00372 110 8D-2 -0.11128 -0.09053 0.20833 0.12029 -0.02967 111 6 Cu 1S -0.00252 -0.05146 0.02752 0.04510 0.00162 112 2S -0.03124 -0.06282 0.05820 0.07026 -0.03780 113 3S 0.05669 1.66180 -0.19559 -1.23380 -0.42966 114 4PX 0.00522 -0.01090 -0.00260 -0.00066 0.00664 115 4PY 0.00381 0.00885 -0.00176 -0.00241 -0.00293 116 4PZ 0.01144 -0.00811 -0.00470 -0.00661 -0.00155 117 5PX -0.20718 0.45768 -0.07656 0.06267 -0.12003 118 5PY -0.05079 -0.23303 -0.04950 0.40694 0.20569 119 5PZ -0.05664 0.04675 -0.15123 -0.09270 0.12173 120 6PX 0.34435 0.17983 0.12608 -0.21751 0.07884 121 6PY 0.25583 -0.35699 0.01874 0.26918 -0.02954 122 6PZ 0.48999 -0.30634 0.06583 0.09634 -0.13646 123 7D 0 0.01298 -0.02758 -0.06679 0.11065 0.17197 124 7D+1 -0.02586 0.05677 -0.23191 -0.00304 -0.00746 125 7D-1 0.05211 0.07617 0.07450 0.02092 -0.02118 126 7D+2 0.14149 0.00123 0.07118 -0.14152 0.21448 127 7D-2 0.12315 0.04224 -0.01466 -0.02177 0.04205 128 8D 0 -0.00415 0.04877 0.09895 -0.17763 -0.28582 129 8D+1 0.06017 -0.09048 0.34962 -0.01039 0.03184 130 8D-1 -0.07685 -0.10702 -0.10421 -0.01699 0.03285 131 8D+2 -0.22442 0.01055 -0.12935 0.25249 -0.32623 132 8D-2 -0.19936 -0.08235 0.01303 0.04406 -0.05914 133 7 Cu 1S 0.09193 -0.07868 -0.00778 -0.13631 0.03136 134 2S 0.12569 -0.11448 -0.00715 -0.14012 0.01219 135 3S -2.76634 1.86495 0.69885 4.63497 -1.81087 136 4PX 0.02685 -0.00528 -0.00234 -0.01589 0.01195 137 4PY 0.00453 0.00223 -0.00663 -0.02105 0.00304 138 4PZ 0.00401 0.01182 0.00363 0.00645 -0.01472 139 5PX -0.81673 0.51878 0.16497 0.93984 -0.40375 140 5PY -0.02126 -0.02672 -0.06643 0.82827 0.11759 141 5PZ 0.30757 -0.45536 -0.09162 -0.34668 0.47302 142 6PX -0.55302 0.36912 -0.37360 0.67741 -0.50436 143 6PY 0.05158 -0.21403 0.29514 0.03712 0.55542 144 6PZ 0.16274 -0.51857 -0.52776 -0.41725 0.30947 145 7D 0 0.00168 0.01400 -0.07053 0.00315 0.06504 146 7D+1 0.01709 -0.01793 0.11768 -0.00064 -0.06898 147 7D-1 0.03756 -0.04201 0.07257 -0.02546 0.10338 148 7D+2 0.15214 0.11171 0.06274 0.02451 0.15363 149 7D-2 0.01039 -0.09854 0.03241 0.08016 0.04716 150 8D 0 -0.00235 0.01052 0.10240 -0.01320 -0.10656 151 8D+1 0.00622 0.00841 -0.18151 0.01416 0.13836 152 8D-1 -0.03705 0.07397 -0.10165 0.00459 -0.17286 153 8D+2 -0.23977 -0.13692 -0.07704 -0.01596 -0.23298 154 8D-2 0.00002 0.16054 -0.06074 -0.11107 -0.05070 155 8 Cu 1S 0.05127 -0.03741 0.04907 -0.03692 -0.05432 156 2S 0.07345 -0.08538 0.09882 -0.13058 -0.09066 157 3S -1.36173 -1.51716 -0.78984 0.58041 2.00294 158 4PX 0.00033 -0.00103 0.00805 -0.00145 -0.00749 159 4PY -0.00467 -0.01116 -0.00195 -0.00863 0.01005 160 4PZ -0.00127 -0.00367 0.00709 0.00151 -0.00201 161 5PX -0.32986 0.11108 -0.03628 0.09033 0.05114 162 5PY 0.25125 0.20659 0.10350 0.23081 -0.29917 163 5PZ 0.22723 0.17245 0.06815 -0.01838 -0.22247 164 6PX 0.32178 -0.30414 -0.13464 -0.00955 0.13128 165 6PY -0.23381 -0.35236 0.13205 -0.48341 0.25088 166 6PZ 0.32550 0.40591 0.01541 -0.02685 -0.52401 167 7D 0 0.15662 0.05977 -0.04926 -0.16101 -0.02389 168 7D+1 -0.01043 0.01837 -0.11051 -0.00862 0.10694 169 7D-1 -0.01682 -0.00346 -0.04773 -0.15646 -0.07773 170 7D+2 0.07776 0.02347 -0.18130 0.08646 0.05138 171 7D-2 0.07511 -0.16543 0.03518 0.19745 0.00402 172 8D 0 -0.26162 -0.08586 0.05869 0.27246 0.05466 173 8D+1 0.05106 -0.04031 0.15687 0.02616 -0.15451 174 8D-1 0.01118 0.01724 0.06539 0.25296 0.14614 175 8D+2 -0.10559 -0.04512 0.29353 -0.13126 -0.08587 176 8D-2 -0.08811 0.26400 -0.06527 -0.33600 -0.00933 177 9 C 1S -0.02931 0.01251 -0.01083 -0.00467 -0.02307 178 2S 0.43877 -0.10136 0.12940 0.11546 0.51663 179 3S -0.35500 0.22048 -0.35132 0.04495 -0.40545 180 4PX -0.00250 0.02920 0.05075 -0.03954 -0.05164 181 4PY 0.13382 -0.04609 -0.07405 0.12645 -0.07523 182 4PZ 0.07102 0.00223 -0.02010 0.02717 -0.00896 183 5PX -0.23484 -0.00325 -0.35106 -0.09761 0.63714 184 5PY 0.06553 0.08583 -0.13503 -0.03456 0.31446 185 5PZ -0.49778 -0.38339 0.17177 -0.19919 0.23659 186 10 O 1S 0.00181 -0.00096 0.00250 -0.00015 0.00272 187 2S -0.01940 0.02544 -0.01637 0.00110 0.01921 188 3S 0.11576 -0.07112 0.02481 0.01697 0.03490 189 4PX -0.19627 0.01998 -0.20654 -0.00810 0.33781 190 4PY -0.01682 0.11187 -0.18242 0.09984 0.00326 191 4PZ -0.37854 -0.28057 0.08213 -0.10785 0.11383 192 5PX 0.34726 -0.03017 0.41717 0.03051 -0.64565 193 5PY 0.02700 -0.22989 0.24918 -0.10737 -0.22723 194 5PZ 0.69337 0.52264 -0.17994 0.22700 -0.26182 156 157 158 159 160 V V V V V EIGENVALUES -- 0.80472 0.83430 0.84999 0.85916 0.86797 1 1 Cu 1S -0.03072 0.03951 0.02245 -0.03944 -0.00838 2 2S -0.07484 0.03721 0.02028 -0.00908 0.03721 3 3S 0.57867 -0.58018 -2.03158 3.62941 1.79358 4 4PX -0.01264 -0.00636 -0.00928 0.02801 0.00431 5 4PY 0.01068 -0.00498 -0.00890 0.01607 0.01720 6 4PZ -0.01851 0.00354 0.00269 -0.00246 -0.00709 7 5PX 0.49770 -0.01089 0.42001 -0.43985 -0.31025 8 5PY -0.41222 0.38816 0.27047 -0.99535 -0.31232 9 5PZ 0.35378 0.27417 -0.67502 -0.57047 0.59084 10 6PX -0.13377 -0.98113 0.74009 0.12511 -0.11841 11 6PY -0.13701 0.82820 -0.51831 -1.11202 -0.07905 12 6PZ -0.39749 1.99578 -1.43803 -1.46497 0.80496 13 7D 0 0.02308 0.08959 0.09301 0.04633 -0.05575 14 7D+1 -0.09911 -0.01529 -0.08828 0.00494 0.05278 15 7D-1 0.01389 -0.03692 0.20372 0.02516 0.04439 16 7D+2 -0.09716 0.05144 0.03999 0.01394 0.14415 17 7D-2 -0.06231 -0.04420 0.02579 0.02876 0.03378 18 8D 0 -0.00537 -0.15980 -0.15304 -0.07870 0.07181 19 8D+1 0.13574 0.03923 0.12583 -0.02333 -0.11386 20 8D-1 -0.02795 0.06758 -0.30014 -0.01718 -0.07503 21 8D+2 0.12371 -0.07997 -0.06125 -0.03523 -0.25680 22 8D-2 0.09294 0.04766 -0.06715 -0.03543 -0.07118 23 2 Cu 1S -0.03388 -0.07829 0.03157 -0.08426 -0.00017 24 2S -0.10947 -0.18044 0.04195 -0.18501 -0.09457 25 3S 1.35044 1.36250 -1.48494 2.10899 -1.25870 26 4PX 0.01108 0.01317 0.00042 -0.00540 -0.01097 27 4PY -0.02691 -0.00982 0.00933 -0.01302 0.00895 28 4PZ 0.00139 -0.00323 0.00247 -0.01196 -0.02933 29 5PX 0.18921 0.11302 -0.00505 0.57131 0.49062 30 5PY -0.40048 -1.06948 0.15138 -1.41745 -1.04034 31 5PZ -0.37852 -0.15712 0.12488 -0.05623 0.93700 32 6PX -0.00977 -0.01310 -0.15403 -0.45020 0.20157 33 6PY 0.13137 -0.07132 -0.02299 -0.05452 -0.26500 34 6PZ 0.12899 -0.43966 0.22922 0.28383 0.17430 35 7D 0 -0.09960 0.11569 0.03662 0.05545 0.06495 36 7D+1 0.10031 -0.02175 0.13069 0.04618 0.08003 37 7D-1 -0.01294 0.01799 0.07752 0.02974 0.14133 38 7D+2 -0.01210 0.11181 0.03039 0.00613 0.06822 39 7D-2 0.07739 -0.03901 -0.03082 0.13400 -0.01511 40 8D 0 0.14879 -0.27566 -0.05354 -0.13800 -0.11750 41 8D+1 -0.18778 0.04273 -0.23301 -0.11239 -0.15970 42 8D-1 0.05066 0.00972 -0.14778 -0.01969 -0.22838 43 8D+2 -0.03264 -0.30130 -0.03045 -0.09681 -0.12356 44 8D-2 -0.17336 0.03040 0.08223 -0.31312 0.02531 45 3 Cu 1S 0.05986 -0.07179 -0.02192 0.07257 -0.00771 46 2S 0.12585 -0.14629 -0.06273 0.12706 -0.01443 47 3S -1.12723 2.02704 -0.79522 -3.00941 0.37619 48 4PX 0.00134 0.00906 -0.00308 -0.00396 -0.00364 49 4PY 0.00566 -0.00453 0.00896 -0.00769 0.00006 50 4PZ 0.00941 0.00111 0.00873 0.01581 -0.00746 51 5PX -0.00927 -0.27418 0.21540 0.23004 0.17713 52 5PY 0.14589 0.13798 -0.17078 -0.02484 -0.20112 53 5PZ -0.19125 0.38107 -0.12081 -0.56750 0.29368 54 6PX 0.15976 0.25463 -0.21860 0.30340 0.06461 55 6PY -0.05829 0.41284 -0.36028 -0.24204 0.10446 56 6PZ -0.14700 0.30783 -0.00009 -0.49584 -0.30367 57 7D 0 0.20739 -0.10153 0.07776 0.07091 0.03649 58 7D+1 0.06141 0.05508 -0.03091 -0.16659 0.13483 59 7D-1 0.08250 0.07660 0.20321 -0.03011 -0.01224 60 7D+2 0.12975 -0.08799 -0.09087 -0.05032 0.33003 61 7D-2 0.12698 0.10154 -0.06361 -0.21856 -0.06281 62 8D 0 -0.35019 0.21544 -0.10975 -0.12950 -0.07558 63 8D+1 -0.11737 -0.12670 0.05318 0.31694 -0.24659 64 8D-1 -0.11941 -0.12363 -0.34203 0.04459 0.01909 65 8D+2 -0.21642 0.16225 0.15041 0.08758 -0.60971 66 8D-2 -0.23194 -0.18567 0.09987 0.41216 0.12312 67 4 Cu 1S -0.00949 0.02895 -0.04705 -0.03606 -0.07407 68 2S -0.00645 0.02248 -0.05791 -0.06016 -0.04699 69 3S 0.27323 -1.56794 1.80213 1.12445 3.36757 70 4PX -0.00172 -0.00306 -0.00894 0.00270 -0.02191 71 4PY -0.00262 0.00139 0.00589 -0.01391 0.00291 72 4PZ -0.00079 0.01231 -0.01012 -0.00995 -0.01030 73 5PX 0.05644 0.04333 0.25580 -0.10035 0.77160 74 5PY 0.09485 0.06434 -0.01582 0.02063 -0.22953 75 5PZ 0.16506 -0.33885 0.41476 0.30144 0.56569 76 6PX 0.10609 -0.07650 0.19414 -0.11282 -0.14824 77 6PY -0.03092 0.32921 0.12879 0.32554 0.04524 78 6PZ -0.08768 -0.56855 0.50848 0.26306 0.57801 79 7D 0 0.06910 0.12386 -0.05982 -0.03808 -0.09756 80 7D+1 -0.08903 -0.03375 0.06722 0.02238 -0.00828 81 7D-1 -0.00221 -0.08363 -0.00037 0.07485 -0.00319 82 7D+2 -0.01415 0.02429 -0.12476 -0.11940 0.13415 83 7D-2 -0.10081 0.01495 0.01915 0.08115 0.13154 84 8D 0 -0.10082 -0.23356 0.12554 0.09066 0.16054 85 8D+1 0.14059 0.08749 -0.10805 -0.06089 0.03360 86 8D-1 -0.00161 0.13831 0.00921 -0.12969 0.00415 87 8D+2 0.02026 -0.03930 0.21946 0.21056 -0.21082 88 8D-2 0.17314 -0.02494 -0.04189 -0.17377 -0.25590 89 5 Cu 1S 0.01120 -0.00623 -0.01389 -0.00107 0.02569 90 2S -0.00307 0.01275 -0.02257 0.00082 0.04600 91 3S -0.96892 -0.27203 0.69252 -0.70255 -1.14872 92 4PX -0.00675 0.01449 -0.00712 0.00583 -0.00854 93 4PY 0.00016 -0.00183 -0.00404 -0.01301 -0.00668 94 4PZ -0.00433 0.00442 0.00841 -0.01137 -0.00314 95 5PX 0.05684 -0.01116 0.11010 -0.20546 0.04688 96 5PY -0.18076 0.14589 -0.05530 0.07858 0.01413 97 5PZ 0.23480 -0.17236 -0.37208 0.15208 0.33717 98 6PX 0.09076 0.14326 0.01104 0.05645 0.03585 99 6PY 0.17839 0.01631 0.02745 0.16126 -0.03788 100 6PZ 0.25339 0.17996 -0.05449 0.43955 0.00266 101 7D 0 -0.04886 0.06140 -0.02862 0.05228 -0.04568 102 7D+1 0.03655 -0.00818 0.05093 -0.02982 0.07393 103 7D-1 -0.07314 0.01014 0.15341 0.06430 0.11882 104 7D+2 0.00152 -0.04610 0.18209 -0.02286 -0.09943 105 7D-2 0.07333 -0.04101 0.02853 -0.10623 0.01648 106 8D 0 0.07709 -0.07748 0.06337 -0.08838 0.07963 107 8D+1 -0.05438 -0.00294 -0.06778 0.06641 -0.13481 108 8D-1 0.13849 -0.02054 -0.25976 -0.11359 -0.18619 109 8D+2 0.01226 0.05666 -0.30244 0.04169 0.19124 110 8D-2 -0.12821 0.07425 -0.03247 0.19677 -0.03236 111 6 Cu 1S -0.00505 0.05858 0.04449 0.03758 0.06200 112 2S 0.01957 0.09058 0.06596 0.07135 0.10773 113 3S 0.49562 -1.41488 -1.22517 -1.98580 -1.40125 114 4PX -0.00295 0.00066 0.00280 0.00470 0.01098 115 4PY 0.00717 -0.00363 -0.00319 -0.01388 -0.00239 116 4PZ -0.00447 -0.00316 -0.00115 0.00165 -0.00124 117 5PX 0.21755 -0.09933 -0.17223 -0.39030 -0.29480 118 5PY -0.15231 0.36329 0.07991 0.25542 0.20359 119 5PZ 0.06203 -0.19365 -0.15402 0.05000 0.16049 120 6PX -0.03383 0.01075 -0.17257 -0.12526 0.00583 121 6PY -0.07205 -0.19254 0.33386 0.26235 0.31362 122 6PZ 0.11799 -0.11779 0.05347 0.16537 0.00510 123 7D 0 0.11438 -0.12542 0.03356 0.04024 -0.05616 124 7D+1 -0.03654 -0.11694 -0.04548 0.11428 -0.03825 125 7D-1 0.02708 -0.14313 -0.00660 0.09151 -0.04158 126 7D+2 -0.05035 -0.03565 -0.06648 -0.06383 0.07348 127 7D-2 -0.05361 0.00608 -0.05403 -0.05878 -0.11532 128 8D 0 -0.20298 0.21185 -0.07889 -0.06813 0.10026 129 8D+1 0.05875 0.17326 0.05446 -0.19979 0.07233 130 8D-1 -0.04084 0.25743 0.00842 -0.17383 0.05636 131 8D+2 0.09124 0.06329 0.10834 0.10354 -0.12412 132 8D-2 0.08647 -0.00423 0.09757 0.12036 0.22660 133 7 Cu 1S -0.01031 -0.09702 -0.01822 0.03499 0.02990 134 2S -0.03527 -0.11747 -0.03329 -0.00764 0.04327 135 3S -0.16713 2.82789 0.10441 -1.77042 -0.87692 136 4PX 0.00008 -0.01432 0.00097 0.00625 0.00844 137 4PY -0.00205 -0.02486 0.00389 0.00327 0.00219 138 4PZ -0.00210 -0.00582 0.00308 -0.00137 0.00879 139 5PX 0.13065 0.37813 0.15158 -0.38164 -0.13124 140 5PY -0.08566 0.76454 0.05831 -0.23625 -0.13652 141 5PZ 0.12977 -0.54577 0.13380 0.18410 0.26813 142 6PX 0.01282 0.39464 -0.10761 -0.48263 -0.01062 143 6PY 0.01824 0.21572 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-0.03687 -0.05876 0.03357 -0.16856 47 3S -0.43433 -1.29885 -0.36650 -0.34941 3.22596 48 4PX 0.00517 -0.00586 -0.00240 0.00250 0.00675 49 4PY -0.00489 -0.00085 0.00156 0.00879 0.00949 50 4PZ 0.00548 0.00543 -0.00066 0.00315 -0.00349 51 5PX 0.00806 0.09723 -0.08220 -0.01054 -0.32912 52 5PY 0.05846 0.17447 -0.17184 0.01421 0.39833 53 5PZ -0.22698 -0.47768 -0.12548 0.07659 0.79052 54 6PX -0.08687 -0.39683 -0.38258 -0.35134 0.20613 55 6PY -0.19728 0.09471 -0.20506 -0.52020 0.57033 56 6PZ 0.01057 -0.29806 -0.11650 -0.26764 0.17952 57 7D 0 0.07209 0.12113 0.02760 0.11884 -0.07221 58 7D+1 0.02087 0.12447 -0.05189 -0.07454 0.09115 59 7D-1 -0.07006 0.00584 0.15879 -0.01628 -0.19316 60 7D+2 -0.06960 0.06869 -0.00334 0.07431 0.04557 61 7D-2 -0.04648 -0.00148 0.23556 -0.02357 -0.10710 62 8D 0 -0.14684 -0.25477 -0.06380 -0.22332 0.20106 63 8D+1 -0.02358 -0.21722 0.08844 0.14067 -0.22496 64 8D-1 0.12550 0.00391 -0.30912 0.05306 0.43984 65 8D+2 0.11928 -0.12740 0.01601 -0.15390 -0.09150 66 8D-2 0.08771 -0.01338 -0.45628 0.03652 0.19714 67 4 Cu 1S 0.03146 0.07189 0.03273 -0.08601 -0.01460 68 2S 0.01110 0.06219 0.01932 -0.14269 0.01794 69 3S -0.64777 -2.76176 -1.17536 1.67419 1.29932 70 4PX -0.00451 0.01275 0.00129 -0.01560 -0.01441 71 4PY -0.00142 0.00344 0.01446 0.00268 -0.00531 72 4PZ 0.01115 0.01194 0.00922 -0.00386 0.00022 73 5PX -0.12426 -0.22732 -0.26253 -0.04409 0.07287 74 5PY -0.05267 -0.02583 -0.18420 0.35520 0.32246 75 5PZ -0.23792 -0.72192 -0.25642 0.42174 0.51864 76 6PX -0.19570 -0.58506 -0.43125 -0.52483 0.06498 77 6PY 0.15210 -0.03954 -0.23581 -0.02065 -0.00016 78 6PZ 0.02908 -0.01849 0.37920 0.83138 -0.19660 79 7D 0 0.06536 -0.14914 0.02794 -0.03039 -0.01854 80 7D+1 -0.00204 0.12590 -0.03985 -0.09246 -0.04143 81 7D-1 -0.18459 0.05665 0.06680 -0.01158 0.01356 82 7D+2 -0.06399 -0.04099 0.06362 -0.04439 0.01095 83 7D-2 0.05257 -0.13553 0.15533 -0.07439 -0.07022 84 8D 0 -0.09672 0.23576 -0.04280 0.09321 0.06300 85 8D+1 -0.01131 -0.23334 0.05255 0.15285 0.09068 86 8D-1 0.31315 -0.10274 -0.12580 0.04968 -0.01005 87 8D+2 0.10964 0.09060 -0.12921 0.07305 -0.02735 88 8D-2 -0.09291 0.28074 -0.27368 0.15849 0.15383 89 5 Cu 1S -0.01938 0.00740 0.05270 0.09072 -0.00606 90 2S -0.02222 -0.05557 0.08166 0.11072 -0.06849 91 3S 0.57736 -1.45991 -1.25472 -2.07692 -1.10551 92 4PX 0.00381 -0.00549 0.00057 0.00371 -0.00442 93 4PY 0.00683 0.00920 -0.00246 0.01304 0.00516 94 4PZ 0.00111 -0.01310 -0.00518 -0.01605 -0.00213 95 5PX -0.26971 0.07832 0.04449 0.18124 0.09383 96 5PY 0.10135 0.10839 -0.01094 -0.31237 -0.13922 97 5PZ 0.03742 0.59554 0.30397 0.55724 0.48476 98 6PX 0.12621 -0.16964 0.19684 0.33219 -0.03145 99 6PY 0.13474 -0.03219 -0.14140 0.19499 -0.10963 100 6PZ -0.14073 0.28599 0.10035 0.26228 -0.13919 101 7D 0 0.04910 0.01216 0.05115 0.09582 0.09140 102 7D+1 0.01673 -0.06772 -0.08148 0.06573 -0.15699 103 7D-1 0.12313 0.00844 0.07726 0.02152 0.05459 104 7D+2 -0.14584 -0.01802 -0.01356 -0.22036 0.08793 105 7D-2 -0.03460 -0.02018 -0.17321 0.08636 -0.10821 106 8D 0 -0.09999 -0.05107 -0.11892 -0.18752 -0.20301 107 8D+1 -0.02171 0.11520 0.14477 -0.16215 0.29663 108 8D-1 -0.23586 -0.04992 -0.14775 -0.04917 -0.07477 109 8D+2 0.27776 0.02631 0.02402 0.42734 -0.16945 110 8D-2 0.06146 0.03655 0.33715 -0.15555 0.21863 111 6 Cu 1S -0.02429 -0.13347 -0.01370 0.10382 -0.03749 112 2S -0.06433 -0.19239 -0.01461 0.16424 -0.10942 113 3S 0.97655 3.78278 0.55345 -1.89582 -0.19739 114 4PX -0.00918 -0.02372 -0.00567 0.00195 0.00015 115 4PY -0.00666 0.00659 0.00091 -0.00955 0.00094 116 4PZ 0.00154 0.00140 -0.00713 -0.00035 0.00226 117 5PX 0.16656 0.73200 0.08943 -0.36132 -0.16427 118 5PY -0.04597 -0.70287 -0.23326 0.13857 0.15454 119 5PZ -0.01776 -0.12170 -0.14571 -0.26467 0.17953 120 6PX 0.00786 0.51132 -0.00047 -0.17530 0.17852 121 6PY -0.26850 -0.31620 0.07174 0.54014 -0.05248 122 6PZ 0.16872 0.21036 -0.15319 0.11298 -0.05854 123 7D 0 -0.01576 0.02958 0.12924 0.02971 0.09536 124 7D+1 -0.07566 -0.06264 0.01753 0.05307 -0.11527 125 7D-1 -0.19100 -0.10384 -0.03146 0.15076 0.03589 126 7D+2 0.00486 -0.11847 0.03593 -0.03927 -0.01022 127 7D-2 0.09703 0.11901 -0.02620 -0.07852 0.00077 128 8D 0 0.02226 -0.07831 -0.25428 -0.08144 -0.18009 129 8D+1 0.14349 0.11890 -0.03627 -0.15185 0.22961 130 8D-1 0.33828 0.20248 0.06440 -0.29551 -0.07193 131 8D+2 -0.01614 0.18299 -0.07642 0.05686 0.00766 132 8D-2 -0.18671 -0.26367 0.04549 0.15378 0.01430 133 7 Cu 1S 0.03432 0.03052 0.00162 0.03982 0.02486 134 2S 0.02867 0.01663 -0.06589 0.00398 0.01278 135 3S -1.37401 -1.63691 -1.03177 -1.84369 -1.06458 136 4PX 0.00683 0.01482 0.01086 0.00924 0.00778 137 4PY 0.01559 0.00451 0.00549 0.01680 0.00409 138 4PZ -0.00549 -0.00190 -0.00578 -0.00525 -0.00337 139 5PX -0.64640 -0.37855 -0.37595 -0.57865 -0.25494 140 5PY 0.10011 0.04997 -0.16706 -0.02656 -0.04523 141 5PZ -0.05725 0.24678 0.06568 0.48824 0.47795 142 6PX 0.10258 0.01098 0.03808 -0.10461 -0.02384 143 6PY -0.39897 -0.33115 0.21273 0.34431 -0.36113 144 6PZ 0.27793 0.14829 0.56187 0.89677 -0.19140 145 7D 0 0.07645 -0.26266 0.03706 0.07611 0.04319 146 7D+1 0.02776 -0.09862 -0.08823 -0.16061 -0.11722 147 7D-1 -0.11176 -0.02510 0.08408 0.13158 0.01456 148 7D+2 -0.08226 -0.09528 -0.02999 -0.07769 0.02293 149 7D-2 0.04759 -0.12941 -0.11186 0.00247 0.01187 150 8D 0 -0.09792 0.47702 -0.05184 -0.16239 -0.09155 151 8D+1 -0.04152 0.20602 0.16377 0.33092 0.24861 152 8D-1 0.16761 0.03806 -0.16859 -0.27278 -0.00727 153 8D+2 0.08991 0.16896 0.05604 0.13979 -0.05817 154 8D-2 -0.05249 0.27737 0.21493 -0.00130 -0.02505 155 8 Cu 1S 0.00809 0.00039 -0.09652 -0.08068 0.10611 156 2S 0.02594 0.00777 -0.13267 -0.08931 0.20885 157 3S 0.51032 0.63416 2.95308 3.67477 -3.39173 158 4PX -0.00332 0.00560 0.00889 -0.00212 0.01387 159 4PY 0.00447 0.00226 0.01469 0.00934 -0.00869 160 4PZ 0.00517 0.00948 0.00415 0.01202 -0.02118 161 5PX 0.09709 0.23252 0.05889 -0.12126 -0.39662 162 5PY -0.19024 -0.26916 -0.53841 -0.54223 0.26932 163 5PZ -0.06725 -0.08703 -0.54618 -0.56292 0.87635 164 6PX 0.01593 0.19880 0.30979 0.38366 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0.30700 0.18819 0.32608 -0.01253 185 5PZ -0.15046 -0.02614 -0.28048 0.10673 0.25349 186 10 O 1S -0.00090 0.00002 -0.00047 0.00046 0.00141 187 2S -0.02077 0.03361 -0.01749 -0.02513 -0.00588 188 3S 0.01261 -0.02262 0.02310 0.01409 -0.01572 189 4PX -0.17492 0.02670 -0.05929 0.05648 -0.04438 190 4PY 0.05154 0.02511 0.08091 0.06966 -0.05201 191 4PZ -0.06707 -0.01969 -0.07379 0.05778 0.06799 192 5PX 0.38798 -0.05484 0.11568 -0.16828 0.12535 193 5PY -0.00867 -0.19035 -0.08656 -0.10595 0.07022 194 5PZ 0.16123 0.02741 0.22403 -0.10450 -0.17923 166 167 168 169 170 V V V V V EIGENVALUES -- 0.99882 1.03462 1.03965 1.04651 1.06222 1 1 Cu 1S 0.01885 0.01376 0.05862 0.01802 0.03242 2 2S 0.07362 0.03280 0.10630 0.04425 0.11807 3 3S 0.89782 -0.09256 -1.38056 0.10252 0.33525 4 4PX 0.01002 -0.00890 -0.01013 -0.00942 -0.00951 5 4PY -0.00234 0.00409 -0.01928 -0.00329 0.00626 6 4PZ 0.01221 -0.00401 -0.00428 -0.00241 0.00365 7 5PX -0.26808 0.23723 -0.22514 -0.00154 0.08715 8 5PY 0.00168 -0.15212 0.79014 -0.11348 -0.67832 9 5PZ 0.45667 0.39303 0.93535 0.34049 -0.94589 10 6PX -0.68003 0.11437 0.13616 -0.99773 0.02331 11 6PY 0.53604 -0.01618 0.35042 0.79872 -0.53656 12 6PZ 0.64445 -0.53371 0.74272 1.79907 -0.91703 13 7D 0 -0.00210 0.07716 -0.11812 0.06633 -0.01555 14 7D+1 -0.07972 0.02540 -0.03874 0.09456 -0.17476 15 7D-1 -0.05396 -0.07901 0.06079 0.08347 -0.01058 16 7D+2 -0.02754 0.04887 -0.00878 -0.06275 0.05030 17 7D-2 0.07397 0.05831 0.06286 0.16729 0.08686 18 8D 0 -0.02559 -0.16327 0.22867 -0.15533 0.00875 19 8D+1 0.13895 -0.05527 0.08459 -0.18445 0.36340 20 8D-1 0.10324 0.12774 -0.17802 -0.15406 0.05312 21 8D+2 0.02442 -0.11514 0.04635 0.10505 -0.10778 22 8D-2 -0.16957 -0.12879 -0.12887 -0.34146 -0.15927 23 2 Cu 1S -0.00069 0.01979 -0.00940 -0.02528 -0.04150 24 2S -0.11552 0.01963 0.11548 -0.15524 -0.14768 25 3S -1.49213 -0.99466 2.42515 -1.42329 -0.93415 26 4PX 0.00342 0.00090 0.01884 0.00357 -0.01396 27 4PY 0.01301 0.00259 -0.01369 0.01892 0.01423 28 4PZ 0.00548 0.00263 0.01518 0.00487 -0.00171 29 5PX 0.36936 0.12991 -0.33754 0.36216 0.13269 30 5PY -1.13195 -0.17694 1.07734 -1.16385 -0.74987 31 5PZ -0.27829 -0.04087 0.10859 -0.22178 -0.15538 32 6PX 0.06130 0.01201 -0.07171 0.31456 -0.17753 33 6PY -0.20715 -0.16131 0.15011 -0.08721 -0.03935 34 6PZ -0.00262 0.36031 -0.14946 -0.15820 0.01098 35 7D 0 -0.06464 0.11515 -0.17185 0.06927 0.00169 36 7D+1 -0.01855 -0.05295 0.07802 0.03898 -0.12327 37 7D-1 -0.07712 -0.12161 -0.02922 0.05671 0.02687 38 7D+2 -0.04268 -0.01389 0.06665 -0.06360 -0.01632 39 7D-2 0.02983 -0.04998 0.19179 0.05704 0.07468 40 8D 0 0.10453 -0.22572 0.37665 -0.17905 -0.01925 41 8D+1 0.03460 0.09679 -0.18276 -0.06786 0.26256 42 8D-1 0.17648 0.25371 0.08687 -0.11175 -0.05903 43 8D+2 0.06736 0.04318 -0.18174 0.10500 0.05757 44 8D-2 -0.05516 0.12654 -0.42268 -0.12296 -0.18813 45 3 Cu 1S 0.00453 0.02059 -0.03475 -0.06634 -0.00848 46 2S 0.02612 0.05067 -0.07359 -0.12585 0.02374 47 3S 0.44277 -0.22790 0.91997 1.91797 -0.57712 48 4PX -0.00155 0.00534 -0.00622 0.01434 0.00024 49 4PY -0.00370 -0.01159 -0.00703 -0.00118 0.00021 50 4PZ -0.00621 0.00315 -0.01043 -0.00783 0.00235 51 5PX 0.09649 0.02923 -0.00312 -0.31348 -0.07395 52 5PY -0.01151 0.09781 0.42400 -0.01764 -0.25747 53 5PZ 0.34037 0.03621 0.32918 0.40854 -0.19994 54 6PX 0.28149 0.00702 -0.13031 0.24647 0.02644 55 6PY -0.01900 -0.23750 0.01971 0.34151 -0.06159 56 6PZ 0.02369 -0.07487 -0.08072 0.35287 0.00558 57 7D 0 -0.11507 0.14293 -0.18229 -0.01733 0.06048 58 7D+1 -0.00743 0.06950 -0.06085 0.20969 -0.06770 59 7D-1 0.02419 -0.05676 -0.06011 0.03279 0.08024 60 7D+2 0.03812 0.08497 -0.06265 -0.02448 -0.00687 61 7D-2 0.05531 0.15910 0.10474 0.07087 -0.02605 62 8D 0 0.25742 -0.29064 0.39076 0.05470 -0.13513 63 8D+1 0.00697 -0.14587 0.12372 -0.45934 0.13649 64 8D-1 -0.05918 0.10524 0.15021 -0.07406 -0.19075 65 8D+2 -0.08525 -0.19836 0.13735 0.04781 0.02611 66 8D-2 -0.10271 -0.32632 -0.22746 -0.15270 0.06758 67 4 Cu 1S -0.09410 -0.07174 -0.02208 0.01780 -0.03669 68 2S -0.12817 -0.09361 -0.03880 0.04642 -0.15189 69 3S 2.28760 2.06457 0.75260 -0.24492 -0.79346 70 4PX -0.01900 -0.00670 -0.00088 0.00778 0.00428 71 4PY -0.00991 0.00476 0.01307 0.01460 -0.00391 72 4PZ -0.00885 -0.01305 -0.01454 0.01014 0.00406 73 5PX 0.40500 0.25179 -0.00222 -0.00854 -0.20252 74 5PY 0.09692 0.06364 0.27857 -0.20280 -0.28181 75 5PZ 0.48184 0.52168 0.31648 0.04652 -0.25272 76 6PX 0.28081 0.14580 -0.33718 0.45391 -0.04568 77 6PY 0.03625 -0.12313 0.30794 -0.13794 -0.02588 78 6PZ 0.15104 0.36242 0.21753 -0.45125 0.06932 79 7D 0 -0.07607 -0.11742 -0.14439 0.04044 -0.05630 80 7D+1 -0.09637 0.03152 -0.02326 0.09308 -0.10715 81 7D-1 -0.08711 -0.13948 -0.05442 0.08123 0.00663 82 7D+2 -0.07232 -0.15021 -0.03835 -0.05849 0.00011 83 7D-2 0.12176 0.17626 0.01692 0.12622 0.04132 84 8D 0 0.17148 0.25573 0.30132 -0.08431 0.12549 85 8D+1 0.18999 -0.04984 0.04944 -0.14993 0.21573 86 8D-1 0.17661 0.30120 0.14546 -0.15755 -0.03577 87 8D+2 0.16066 0.31323 0.09434 0.11820 -0.01485 88 8D-2 -0.27079 -0.36980 -0.01012 -0.25681 -0.09863 89 5 Cu 1S -0.05037 0.02406 0.03187 -0.05967 -0.10971 90 2S -0.07978 0.03591 -0.02358 -0.09801 -0.20484 91 3S 1.03272 -0.30289 -1.52965 0.61694 1.73888 92 4PX 0.01128 -0.00011 -0.01993 0.00967 0.01775 93 4PY 0.00060 0.00673 -0.00504 -0.00693 -0.00591 94 4PZ 0.00303 -0.00964 -0.00608 0.00564 0.01536 95 5PX -0.15072 0.03817 0.31020 -0.05124 -0.37499 96 5PY -0.00967 -0.23912 -0.07337 -0.02510 0.06209 97 5PZ -0.22538 0.10828 0.47952 -0.23222 -0.48381 98 6PX 0.03884 0.09930 0.05110 -0.08885 -0.09845 99 6PY 0.07245 0.23389 -0.13483 -0.01156 0.03113 100 6PZ -0.23141 0.03994 0.13051 -0.14833 -0.25378 101 7D 0 -0.10273 0.10310 -0.01623 -0.06630 -0.09725 102 7D+1 -0.03267 -0.07341 0.10111 -0.00084 -0.24002 103 7D-1 -0.11372 -0.09137 0.07085 -0.00990 0.04056 104 7D+2 -0.01374 0.09354 -0.07537 -0.04595 -0.01003 105 7D-2 0.11413 -0.09082 0.02943 0.16220 0.12219 106 8D 0 0.21288 -0.19927 0.00134 0.16417 0.21747 107 8D+1 0.07135 0.15126 -0.22485 -0.00553 0.52506 108 8D-1 0.23082 0.18720 -0.13859 0.04936 -0.07976 109 8D+2 0.02035 -0.19698 0.17915 0.09047 0.01913 110 8D-2 -0.23907 0.19135 -0.05757 -0.34264 -0.26536 111 6 Cu 1S 0.06034 0.06694 0.03280 -0.04989 -0.05293 112 2S 0.08520 0.11556 0.03389 -0.12601 -0.11265 113 3S -1.67898 -1.06074 -0.79556 0.01453 0.65433 114 4PX 0.00036 -0.00179 0.00359 -0.01219 0.00368 115 4PY -0.01359 -0.01034 -0.00889 0.00219 0.01139 116 4PZ 0.01203 0.00739 -0.00205 0.00447 -0.00634 117 5PX -0.24223 -0.03112 -0.23160 0.10559 -0.01637 118 5PY 0.41219 0.26950 0.15415 0.10408 -0.35047 119 5PZ 0.07126 0.04533 -0.01092 -0.04319 -0.10633 120 6PX -0.20345 -0.23974 0.13565 -0.06972 0.12179 121 6PY 0.08896 0.10600 0.18265 -0.26025 -0.09083 122 6PZ 0.02958 -0.09663 0.14191 -0.19868 0.06336 123 7D 0 0.17570 -0.11405 -0.11609 0.00703 -0.08125 124 7D+1 -0.07744 0.15165 0.03738 0.04308 -0.05259 125 7D-1 -0.08968 0.03163 0.04208 0.07197 0.03417 126 7D+2 -0.03492 -0.08316 0.01778 -0.08220 0.07073 127 7D-2 -0.17564 0.02252 0.01781 0.15700 0.16694 128 8D 0 -0.35364 0.23338 0.23304 0.01293 0.16818 129 8D+1 0.16720 -0.30510 -0.09922 -0.08440 0.09435 130 8D-1 0.16284 -0.09616 -0.09567 -0.14365 -0.06662 131 8D+2 0.06448 0.17869 -0.04763 0.16932 -0.15470 132 8D-2 0.38166 -0.03153 -0.03263 -0.30732 -0.36666 133 7 Cu 1S 0.01905 -0.01303 -0.06291 -0.01205 0.14844 134 2S 0.06157 -0.03928 -0.20242 0.01437 0.30925 135 3S 0.07714 -0.09267 -0.45923 1.06774 -1.55792 136 4PX -0.00745 0.00560 0.01711 -0.01436 0.00825 137 4PY 0.00736 0.01192 0.03106 -0.00607 -0.00133 138 4PZ -0.00390 0.00725 0.01976 0.00581 -0.01867 139 5PX 0.10145 -0.04179 -0.29878 0.36691 -0.22295 140 5PY -0.02324 -0.09129 -0.17585 0.07122 -0.26453 141 5PZ 0.03506 0.11449 0.28582 -0.22916 -0.14713 142 6PX -0.00648 0.09883 0.02147 0.11252 -0.27526 143 6PY 0.07862 0.09529 0.13136 -0.17328 -0.01000 144 6PZ 0.00278 0.30147 0.11111 -0.52018 0.09173 145 7D 0 0.00948 -0.01912 -0.07246 0.04922 -0.06093 146 7D+1 -0.01967 -0.03190 -0.05561 0.06105 -0.13277 147 7D-1 -0.16694 -0.06531 0.10360 0.14018 -0.07052 148 7D+2 0.02683 -0.02508 -0.03105 -0.10512 0.08724 149 7D-2 0.02394 0.01224 0.11284 0.12835 0.09144 150 8D 0 -0.04482 0.00073 0.12153 -0.10422 0.13978 151 8D+1 0.03091 0.06867 0.16588 -0.14368 0.22274 152 8D-1 0.34576 0.13924 -0.22763 -0.29441 0.15618 153 8D+2 -0.06828 0.04011 0.06541 0.22209 -0.19287 154 8D-2 -0.06332 -0.03323 -0.21235 -0.27805 -0.18839 155 8 Cu 1S 0.00891 -0.01516 0.04536 0.05730 -0.08073 156 2S -0.02141 -0.03044 0.14417 0.13215 -0.16000 157 3S -1.30879 0.62159 -0.04151 -1.76779 1.30247 158 4PX 0.00173 -0.00003 0.00009 -0.00396 -0.00377 159 4PY -0.00506 0.00423 0.01220 -0.00314 -0.00444 160 4PZ -0.01189 0.00354 0.01071 -0.00373 0.00538 161 5PX -0.21225 -0.08041 -0.21368 -0.02640 0.13729 162 5PY 0.26907 -0.10899 -0.25897 0.25911 -0.04285 163 5PZ 0.33013 -0.06065 0.07693 0.21618 -0.47368 164 6PX -0.11003 0.00313 0.00715 -0.32917 0.15734 165 6PY 0.01442 0.02736 -0.23280 -0.01446 -0.00770 166 6PZ 0.04451 -0.17114 -0.11601 0.17980 -0.09346 167 7D 0 0.16170 -0.02330 0.00190 0.13376 -0.15165 168 7D+1 -0.03046 -0.01590 -0.13892 0.01320 -0.00713 169 7D-1 -0.13865 -0.05628 -0.06447 0.09868 0.08070 170 7D+2 -0.17775 0.14132 0.16736 -0.10100 -0.01449 171 7D-2 -0.03333 -0.01996 -0.06820 0.02884 0.13269 172 8D 0 -0.33937 0.04828 -0.01863 -0.28016 0.34514 173 8D+1 0.07557 0.05376 0.31366 -0.02245 -0.00847 174 8D-1 0.26921 0.11482 0.12707 -0.22437 -0.14922 175 8D+2 0.36695 -0.29007 -0.36590 0.22750 0.03046 176 8D-2 0.08500 0.04726 0.14671 -0.05897 -0.28392 177 9 C 1S -0.00425 0.00482 0.00273 -0.00031 0.00240 178 2S 0.19176 -0.17543 0.00628 0.18890 0.06299 179 3S -0.71263 0.21094 0.20734 -0.68488 -0.28111 180 4PX -0.02288 0.01948 0.00013 -0.01741 0.00584 181 4PY 0.03955 -0.03354 -0.17147 0.00236 -0.01250 182 4PZ 0.02052 -0.00746 -0.02806 -0.01564 -0.01023 183 5PX 0.10589 0.07209 -0.08921 -0.00464 -0.10515 184 5PY -0.32331 -0.00378 0.13679 -0.27780 -0.09636 185 5PZ 0.06572 0.13183 0.27700 -0.11279 -0.13796 186 10 O 1S 0.00196 0.00218 -0.00003 -0.00078 -0.00229 187 2S -0.02300 -0.03025 0.04400 0.01888 0.03356 188 3S 0.04781 -0.00211 -0.10886 -0.00828 -0.03111 189 4PX 0.01904 0.02967 -0.00120 -0.01370 -0.04966 190 4PY -0.02877 -0.00315 -0.06331 -0.02089 -0.00414 191 4PZ 0.03735 0.04729 0.05458 -0.02178 -0.03110 192 5PX -0.04983 -0.08173 0.06474 0.04682 0.12877 193 5PY 0.11900 0.01669 -0.03054 0.06045 0.00145 194 5PZ -0.09686 -0.12018 -0.18601 0.06652 0.09153 171 172 173 174 175 V V V V V EIGENVALUES -- 1.08739 1.11117 1.13641 1.18587 1.23475 1 1 Cu 1S 0.03251 -0.05623 -0.01263 -0.05123 0.00124 2 2S 0.07081 -0.23431 -0.10319 -0.17043 0.04111 3 3S -0.15571 -0.30045 -0.55932 -0.74657 1.16684 4 4PX -0.00766 0.00447 0.00314 -0.02601 0.02673 5 4PY 0.00728 -0.00155 -0.01497 0.01242 0.00972 6 4PZ 0.00311 0.01284 0.01196 -0.02130 -0.02173 7 5PX 0.31854 0.67776 1.13628 -0.19697 -0.61900 8 5PY -0.52062 0.73621 -0.14910 1.24154 -0.00520 9 5PZ -0.25493 0.53190 -0.85198 -0.40205 0.11864 10 6PX 0.21263 0.99018 0.56116 -0.23658 -0.13331 11 6PY -0.28014 0.04432 -0.03628 0.81419 0.18878 12 6PZ -0.14943 -0.33243 -0.25402 -0.59904 0.09547 13 7D 0 0.17106 -0.05405 -0.04708 0.03263 0.06766 14 7D+1 -0.00686 0.01793 -0.06479 -0.02371 0.18995 15 7D-1 -0.05587 0.03418 0.02344 -0.09295 -0.00863 16 7D+2 0.14547 0.01690 0.05032 -0.07816 -0.08912 17 7D-2 0.08151 0.09681 0.02288 0.08331 -0.19328 18 8D 0 -0.35325 0.19467 0.15075 -0.07153 -0.16347 19 8D+1 0.03231 -0.08925 0.10423 0.04383 -0.51813 20 8D-1 0.09517 -0.06363 -0.02494 0.30066 0.07686 21 8D+2 -0.31754 -0.04900 -0.16141 0.26217 0.23262 22 8D-2 -0.14073 -0.26235 -0.07432 -0.23180 0.48863 23 2 Cu 1S 0.00763 0.00373 0.00735 0.06984 0.03605 24 2S 0.08172 0.12034 -0.08516 0.32262 0.06533 25 3S -0.14272 1.93996 -1.79321 2.26409 -0.37800 26 4PX -0.01044 0.01481 0.00876 0.01720 -0.01127 27 4PY -0.00186 -0.00875 0.01906 -0.03653 -0.00777 28 4PZ 0.00298 0.00073 -0.00457 0.00047 -0.00184 29 5PX 0.14226 0.15428 0.62102 -0.62377 0.27067 30 5PY 0.30682 1.00326 -0.70451 1.74150 0.06466 31 5PZ -0.06227 0.17735 -0.19744 -0.58593 -0.46366 32 6PX 0.24160 0.25737 0.51265 -0.45814 0.05228 33 6PY 0.06119 0.10410 -0.09843 0.03726 -0.20099 34 6PZ 0.00798 0.33075 -0.10189 0.14532 0.03736 35 7D 0 0.03865 -0.10395 0.07268 0.05152 -0.03049 36 7D+1 0.05364 0.00810 -0.04242 -0.01483 -0.11653 37 7D-1 -0.03359 0.05999 0.02976 0.16375 0.07856 38 7D+2 0.14672 0.11980 0.04263 0.05129 0.09153 39 7D-2 0.19919 -0.02786 -0.13536 0.07999 -0.03811 40 8D 0 -0.03765 0.27938 -0.15194 -0.12554 0.06340 41 8D+1 -0.11809 -0.03655 0.11041 0.03489 0.29348 42 8D-1 0.05335 -0.15014 -0.08834 -0.46958 -0.23445 43 8D+2 -0.29104 -0.30380 -0.12719 -0.12835 -0.24606 44 8D-2 -0.44442 0.11426 0.36852 -0.20198 0.10818 45 3 Cu 1S -0.02680 0.16848 0.11770 0.05034 0.01819 46 2S -0.04353 0.22951 0.17139 0.02312 -0.03170 47 3S -0.36829 -2.78277 -2.51904 -1.26548 -0.90722 48 4PX -0.00489 -0.02207 -0.01958 -0.01211 -0.01177 49 4PY -0.00600 -0.01085 0.00399 -0.00786 0.00517 50 4PZ 0.00973 0.01714 0.02536 0.01698 0.01413 51 5PX -0.01621 0.71076 0.69153 0.27611 0.42855 52 5PY 0.10684 0.35810 -0.27887 0.37515 0.10824 53 5PZ -0.29401 -0.53458 -0.70567 -0.54518 -0.29659 54 6PX -0.10556 -0.02576 0.05933 0.34567 0.18445 55 6PY 0.06697 -0.16792 0.16883 -0.39311 -0.00347 56 6PZ -0.00419 -0.63642 -0.20861 0.08694 -0.04241 57 7D 0 0.13074 -0.01979 0.04900 0.07711 0.00166 58 7D+1 -0.04307 -0.13972 -0.16195 -0.07733 -0.06730 59 7D-1 -0.08124 -0.10620 0.05590 -0.11944 0.00104 60 7D+2 0.01124 0.04974 0.07502 0.01000 0.04827 61 7D-2 0.04782 0.11421 -0.04751 0.06101 0.05194 62 8D 0 -0.29727 0.03332 -0.11128 -0.19529 0.00177 63 8D+1 0.07779 0.34182 0.38191 0.20554 0.17691 64 8D-1 0.18840 0.25611 -0.14111 0.30431 0.01711 65 8D+2 -0.02224 -0.13065 -0.18678 -0.00723 -0.12563 66 8D-2 -0.11204 -0.26415 0.10742 -0.15260 -0.12433 67 4 Cu 1S 0.00952 -0.10445 0.02718 0.00568 0.01443 68 2S -0.01625 -0.08555 0.13502 -0.07847 0.02396 69 3S -0.99568 2.92173 1.13501 -1.27057 0.00250 70 4PX 0.00834 -0.00910 -0.01727 0.01663 -0.00490 71 4PY 0.00000 0.00229 0.00024 0.00688 -0.01055 72 4PZ 0.01465 -0.02100 -0.02540 0.01075 0.00285 73 5PX -0.11041 0.72277 0.95820 -0.44860 0.29139 74 5PY -0.21026 0.30200 -0.08290 0.76072 0.11049 75 5PZ -0.28750 0.43084 0.04244 -0.75827 -0.31968 76 6PX -0.01348 0.02200 0.36817 0.16066 0.16317 77 6PY -0.20950 -0.00008 -0.27097 0.34364 -0.06924 78 6PZ -0.10363 0.37756 -0.11554 -0.47151 -0.24477 79 7D 0 0.09951 0.01079 0.05261 0.05918 0.04771 80 7D+1 0.02863 -0.00489 -0.13243 0.07681 0.00997 81 7D-1 0.01932 -0.07727 0.01963 -0.13107 -0.06604 82 7D+2 0.12764 -0.11721 -0.07094 0.03612 -0.07054 83 7D-2 -0.03043 0.04886 0.01183 -0.10519 -0.05145 84 8D 0 -0.19129 -0.01638 -0.16797 -0.18267 -0.13812 85 8D+1 -0.05779 -0.00003 0.30289 -0.21409 -0.03234 86 8D-1 -0.05875 0.19403 -0.04222 0.37295 0.16696 87 8D+2 -0.27094 0.30129 0.19996 -0.08931 0.19517 88 8D-2 0.08900 -0.08592 -0.04791 0.27065 0.12791 89 5 Cu 1S -0.00139 0.09291 0.03709 -0.08249 -0.09913 90 2S -0.05152 0.11239 0.04967 0.03008 -0.16021 91 3S -0.92822 -1.86519 0.03426 3.76998 1.67633 92 4PX -0.00610 -0.00942 -0.00280 0.02165 -0.00796 93 4PY 0.00465 0.00731 -0.00583 -0.02813 -0.00282 94 4PZ -0.02249 -0.01579 -0.00607 0.02543 0.02160 95 5PX 0.13720 0.40996 0.31630 -0.83000 -0.21604 96 5PY -0.26502 0.23309 0.13016 1.03251 -0.05656 97 5PZ 0.30843 0.76665 -0.06463 -0.81032 -0.59658 98 6PX -0.04473 -0.11862 -0.18141 -0.11974 -0.22782 99 6PY 0.03249 0.28624 0.12076 0.06649 0.23855 100 6PZ 0.12989 0.34514 0.08125 -0.40171 -0.03295 101 7D 0 0.11621 0.07678 -0.02948 0.03410 -0.12684 102 7D+1 0.05775 0.11314 0.01377 -0.10413 -0.04518 103 7D-1 -0.01327 0.10384 -0.03029 0.04193 0.11121 104 7D+2 -0.03703 0.01098 0.08277 0.12373 -0.06032 105 7D-2 0.00677 0.01057 0.05852 0.17061 -0.07700 106 8D 0 -0.24046 -0.20109 0.08532 -0.08243 0.32062 107 8D+1 -0.11537 -0.28139 -0.05828 0.28138 0.13673 108 8D-1 0.01076 -0.22803 0.06887 -0.12074 -0.27639 109 8D+2 0.08801 -0.05487 -0.21133 -0.30495 0.16942 110 8D-2 -0.00187 -0.03421 -0.14205 -0.42180 0.19235 111 6 Cu 1S -0.06004 -0.04572 -0.09529 0.13747 -0.02992 112 2S -0.07716 -0.05670 -0.09732 0.11259 -0.08398 113 3S 1.81541 1.42961 2.40581 -2.83872 -0.05083 114 4PX -0.01354 -0.00973 -0.01752 0.02440 -0.00979 115 4PY 0.01900 0.01332 0.00186 -0.02979 -0.00967 116 4PZ 0.00095 0.00449 -0.01669 0.00444 0.02202 117 5PX 0.42696 0.54316 0.79165 -0.67866 -0.07783 118 5PY -0.50375 0.11066 -0.15165 0.95175 0.10036 119 5PZ -0.00826 0.58532 0.51966 -0.28410 -0.17335 120 6PX 0.11570 0.14710 0.02613 -0.23857 -0.05815 121 6PY -0.23417 0.08679 -0.33374 0.23058 -0.15329 122 6PZ -0.10225 0.24882 -0.04055 0.17831 0.08502 123 7D 0 0.12781 -0.02742 -0.03419 -0.04226 0.04529 124 7D+1 -0.06691 -0.09182 -0.19303 0.04320 0.06194 125 7D-1 -0.07245 0.03640 -0.03610 -0.00763 -0.04606 126 7D+2 0.07989 -0.11528 -0.05833 -0.05723 -0.07276 127 7D-2 0.11347 0.07650 0.05669 -0.11615 0.02049 128 8D 0 -0.27493 0.08223 0.08429 0.10891 -0.09766 129 8D+1 0.15855 0.26457 0.48138 -0.12687 -0.13612 130 8D-1 0.16281 -0.08936 0.09519 0.01883 0.10932 131 8D+2 -0.16820 0.29000 0.15764 0.15290 0.15977 132 8D-2 -0.24900 -0.16108 -0.13786 0.29271 -0.04124 133 7 Cu 1S -0.03045 0.10452 -0.11322 -0.00073 -0.05982 134 2S -0.10946 0.38791 -0.12417 0.08938 -0.14545 135 3S -0.13367 0.98384 2.71045 1.17856 -0.23601 136 4PX 0.01218 -0.01628 -0.00503 -0.01909 0.01447 137 4PY 0.00991 -0.02700 0.00007 0.00635 0.02155 138 4PZ -0.00462 0.01313 0.01951 0.00061 -0.00438 139 5PX 0.01016 0.79798 0.97093 -0.47463 -0.54644 140 5PY -0.46172 0.65818 -0.10057 0.99521 -0.46055 141 5PZ 0.01319 0.41210 -0.42236 -0.84202 -0.33609 142 6PX 0.13369 0.21294 0.56102 -0.41431 -0.00667 143 6PY -0.18062 -0.02609 -0.10987 0.51942 0.06897 144 6PZ 0.03268 0.33039 -0.10987 -0.43889 -0.16740 145 7D 0 0.06022 0.11137 -0.01217 -0.03949 -0.09710 146 7D+1 -0.02168 -0.02845 0.00121 0.04722 -0.00716 147 7D-1 -0.05803 -0.10904 0.14005 0.15268 -0.10832 148 7D+2 0.03074 0.02359 -0.18575 0.11498 0.08099 149 7D-2 0.09435 -0.12818 0.14247 -0.01326 0.26883 150 8D 0 -0.09974 -0.27474 0.02362 0.11536 0.27003 151 8D+1 0.05160 0.09274 -0.01416 -0.13743 -0.01249 152 8D-1 0.12172 0.24849 -0.30700 -0.40884 0.27131 153 8D+2 -0.04135 -0.02015 0.46868 -0.35316 -0.21972 154 8D-2 -0.17961 0.29795 -0.31766 0.03574 -0.70683 155 8 Cu 1S -0.00368 0.07767 0.17151 0.06162 0.17909 156 2S 0.02301 0.00807 0.30380 0.02866 0.41764 157 3S 0.81113 -2.51151 -1.42328 -1.37237 -1.27555 158 4PX -0.00072 -0.00843 0.01484 0.00557 -0.00847 159 4PY 0.01673 -0.04231 0.00652 -0.01477 0.01085 160 4PZ 0.00008 -0.02712 -0.00082 -0.01005 -0.00485 161 5PX 0.22113 0.37292 0.43369 -0.61366 -0.13445 162 5PY -0.46293 0.70116 -0.11954 0.84226 -0.12807 163 5PZ -0.15581 1.00924 0.21094 -0.02409 0.19044 164 6PX 0.00936 0.02139 -0.07389 0.05026 -0.13131 165 6PY 0.02850 0.17258 0.39690 0.07266 0.28507 166 6PZ -0.07920 0.19270 0.28262 0.25943 0.05033 167 7D 0 0.12036 0.01792 0.05934 -0.05791 0.09887 168 7D+1 0.01496 0.12730 0.10024 -0.05253 -0.04530 169 7D-1 -0.13662 0.20482 -0.11738 -0.03222 0.05977 170 7D+2 0.03597 -0.10203 0.10582 -0.11319 0.03128 171 7D-2 0.08436 0.09223 -0.14170 -0.16415 0.04141 172 8D 0 -0.25962 -0.07753 -0.14615 0.15905 -0.26221 173 8D+1 -0.04776 -0.31656 -0.30577 0.15425 0.13051 174 8D-1 0.31623 -0.47151 0.26670 0.07393 -0.15920 175 8D+2 -0.08662 0.20763 -0.26010 0.30709 -0.07006 176 8D-2 -0.19325 -0.19954 0.30481 0.42294 -0.08725 177 9 C 1S 0.01889 0.00145 0.00116 -0.00086 -0.00168 178 2S -0.40260 -0.05684 -0.06418 -0.11050 -0.02812 179 3S 0.62857 0.32371 -0.09719 0.55330 -0.04950 180 4PX 0.07573 0.00912 0.00291 -0.01307 0.02280 181 4PY -0.29509 -0.04020 0.05695 -0.04095 0.04951 182 4PZ -0.06640 0.00084 0.01082 -0.02874 -0.00492 183 5PX -0.30893 0.07150 0.22517 -0.03848 -0.01867 184 5PY 0.17173 0.26110 -0.00837 0.25180 -0.02972 185 5PZ 0.08421 -0.02592 -0.19158 -0.03468 -0.10067 186 10 O 1S 0.00150 -0.00268 -0.00097 0.00239 0.00184 187 2S 0.02318 0.03537 -0.01542 -0.02810 -0.04690 188 3S -0.16426 -0.03657 0.04598 0.01101 0.08006 189 4PX -0.04648 0.05306 0.07572 -0.00859 0.00067 190 4PY -0.06017 0.01305 0.04131 -0.00081 0.00319 191 4PZ 0.00355 -0.00240 -0.04005 -0.04546 -0.03687 192 5PX 0.18879 -0.12693 -0.22793 0.03198 -0.02382 193 5PY -0.05306 -0.08863 -0.01714 -0.05012 0.05294 194 5PZ -0.03527 0.01073 0.13366 0.12122 0.11704 176 177 178 179 180 V V V V V EIGENVALUES -- 1.24434 1.26938 1.27359 1.29437 1.30052 1 1 Cu 1S -0.01874 -0.15064 0.05443 0.09775 0.12068 2 2S -0.04932 -0.36377 0.13101 0.26187 0.28553 3 3S -0.14481 0.34244 -0.12101 0.26268 -0.60780 4 4PX -0.00352 -0.02330 -0.00091 0.01722 0.03695 5 4PY -0.00971 -0.01689 -0.00412 0.02365 -0.01982 6 4PZ 0.01130 0.00259 0.00317 0.00217 -0.02033 7 5PX 0.15480 0.48156 -0.12605 -0.55916 -0.87572 8 5PY 0.22694 0.53747 0.20860 -0.32961 0.40582 9 5PZ -0.05980 -0.40462 0.18171 0.50523 -0.04615 10 6PX -0.06158 -0.45364 -0.58849 -0.19944 1.08624 11 6PY -0.09294 -0.27910 0.50744 0.61855 -0.69379 12 6PZ 0.36018 -0.16896 0.89401 1.15606 -1.20904 13 7D 0 0.03796 -0.15046 0.06227 0.14812 0.12419 14 7D+1 0.03560 -0.02937 0.03453 0.11804 -0.09626 15 7D-1 -0.03576 -0.17737 0.13783 0.07602 0.01918 16 7D+2 0.02085 0.00560 -0.10775 -0.02936 -0.14944 17 7D-2 0.11553 0.07279 0.12208 -0.04844 0.09890 18 8D 0 -0.09942 0.42080 -0.18500 -0.41951 -0.36685 19 8D+1 -0.10126 0.05931 -0.08641 -0.31733 0.28997 20 8D-1 0.09014 0.51822 -0.39857 -0.22076 -0.07424 21 8D+2 -0.06217 -0.00730 0.29474 0.07890 0.41735 22 8D-2 -0.31376 -0.20390 -0.33772 0.12250 -0.26560 23 2 Cu 1S -0.00180 0.01001 -0.00649 -0.01206 -0.02154 24 2S -0.03319 0.00763 0.00471 -0.01836 -0.05115 25 3S -0.21014 -0.17123 0.13925 0.56554 -0.20107 26 4PX 0.01812 -0.02356 -0.02145 -0.01138 -0.00188 27 4PY 0.00099 0.00152 -0.00553 -0.00642 -0.00029 28 4PZ 0.00320 -0.00625 -0.01426 0.01918 0.01772 29 5PX -0.14889 0.54037 0.66066 0.04476 0.30839 30 5PY -0.28923 -0.06355 -0.01665 -0.08704 0.25259 31 5PZ 0.17262 -0.23358 0.29578 0.32252 -0.65218 32 6PX 0.07489 -0.28490 -0.27343 -0.12021 -0.19363 33 6PY -0.00520 -0.18282 -0.08903 0.17809 -0.10161 34 6PZ 0.09340 0.12662 -0.04260 -0.16999 0.05705 35 7D 0 -0.04741 -0.01767 -0.10234 -0.07402 0.00941 36 7D+1 -0.26234 0.00636 -0.02439 0.07115 0.06855 37 7D-1 -0.01057 0.01443 -0.06051 -0.00433 0.10969 38 7D+2 -0.05221 0.09901 0.09995 -0.05695 0.02371 39 7D-2 0.08763 -0.10979 -0.10595 -0.04779 -0.05756 40 8D 0 0.12292 0.02308 0.27346 0.20988 -0.05301 41 8D+1 0.70686 -0.03573 0.09390 -0.22131 -0.21681 42 8D-1 0.05117 -0.05548 0.17108 0.04527 -0.30994 43 8D+2 0.11718 -0.27994 -0.29504 0.16963 -0.07866 44 8D-2 -0.22616 0.29395 0.28744 0.12150 0.18248 45 3 Cu 1S 0.03372 0.08487 -0.06565 -0.04147 -0.11221 46 2S 0.10481 0.17099 -0.10949 -0.02057 -0.31113 47 3S 0.39666 -0.57865 0.96105 1.32509 -0.80850 48 4PX -0.00302 0.01281 0.01268 0.02383 -0.01637 49 4PY 0.01623 -0.00943 0.00396 -0.00178 -0.00481 50 4PZ -0.01711 -0.00326 0.01136 0.00347 0.01925 51 5PX -0.07185 -0.39881 -0.33837 -0.60154 0.69904 52 5PY -0.38603 0.03141 -0.00241 0.18469 0.49969 53 5PZ 0.31029 -0.33927 0.02053 0.19735 -0.16935 54 6PX -0.00150 0.49049 0.28630 0.14121 -0.44625 55 6PY 0.18645 -0.06259 0.14127 -0.02601 -0.48229 56 6PZ -0.01676 0.21135 0.24402 0.21946 -0.22279 57 7D 0 -0.03489 0.11688 0.07003 0.09240 -0.05451 58 7D+1 0.05638 0.00466 0.06179 0.05807 -0.06671 59 7D-1 0.13121 -0.04326 0.00972 -0.04658 -0.12836 60 7D+2 0.07923 -0.13799 -0.10308 -0.14979 0.10223 61 7D-2 -0.06395 0.00511 -0.00965 0.01883 0.05157 62 8D 0 0.08075 -0.35455 -0.15710 -0.22307 0.19578 63 8D+1 -0.13812 0.01772 -0.17886 -0.16947 0.17306 64 8D-1 -0.34648 0.07170 0.00178 0.14251 0.38021 65 8D+2 -0.19095 0.38888 0.26844 0.39634 -0.28328 66 8D-2 0.16611 0.00120 0.02542 -0.05689 -0.16495 67 4 Cu 1S -0.06713 -0.03965 0.04448 -0.05523 0.04058 68 2S -0.12615 -0.11371 0.13300 -0.09357 0.07383 69 3S 0.84307 -0.03796 0.31296 0.89553 -0.69255 70 4PX 0.00563 0.02802 0.00040 -0.01469 -0.03043 71 4PY -0.01627 0.02032 -0.00384 0.01118 0.03114 72 4PZ -0.00267 -0.02027 -0.01718 -0.01524 0.01271 73 5PX -0.13648 -0.43094 -0.03698 -0.28472 0.75121 74 5PY 0.24203 -0.34263 0.43288 -0.34293 -0.62753 75 5PZ 0.35539 0.36562 0.31521 0.91955 -0.66610 76 6PX 0.22468 0.46668 0.23743 0.09536 -0.66991 77 6PY -0.15776 0.27512 -0.32922 0.45387 0.66060 78 6PZ 0.06697 -0.48980 -0.18735 -0.13530 0.32422 79 7D 0 -0.15525 -0.12737 0.01883 -0.13998 0.05671 80 7D+1 0.09569 -0.07433 -0.09178 -0.16242 0.01367 81 7D-1 -0.02228 0.11234 -0.11529 0.09687 0.19019 82 7D+2 -0.06268 0.12353 0.08164 0.05703 -0.18768 83 7D-2 -0.22591 0.06649 0.04116 -0.01103 -0.01567 84 8D 0 0.42457 0.33183 -0.09075 0.41819 -0.16474 85 8D+1 -0.24114 0.20011 0.27016 0.42552 -0.05300 86 8D-1 0.04528 -0.29427 0.34741 -0.27329 -0.51728 87 8D+2 0.16025 -0.32749 -0.23863 -0.17416 0.51403 88 8D-2 0.57092 -0.18021 -0.13347 0.02291 0.04591 89 5 Cu 1S 0.01870 -0.06222 -0.08114 0.01772 -0.04455 90 2S 0.02076 -0.11080 -0.18889 0.01542 -0.05810 91 3S -0.56467 0.88188 0.22164 -0.92465 0.63972 92 4PX 0.01118 0.00734 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-0.02204 0.84023 0.03141 0.00161 -0.16228 154 8D-2 -0.17736 -0.03629 0.35269 0.18698 -0.01171 155 8 Cu 1S -0.06144 0.03646 0.01221 0.07043 -0.03051 156 2S -0.15190 0.09042 -0.02246 0.12692 -0.10655 157 3S -0.12855 -0.14098 -0.52366 -0.89711 -0.59036 158 4PX 0.00259 0.00822 -0.00619 -0.01637 -0.00606 159 4PY 0.00050 -0.00617 0.01290 0.00388 -0.01254 160 4PZ -0.00920 0.00553 -0.01360 -0.00546 0.00907 161 5PX 0.45876 -0.37929 0.06807 0.72805 -0.42805 162 5PY -0.06353 0.16791 -0.01122 -0.44096 0.41754 163 5PZ 0.03918 -0.10642 0.31142 0.70816 0.13950 164 6PX -0.73954 0.50335 -0.17537 -1.05105 0.40598 165 6PY 0.25351 -0.31382 0.29527 0.75793 -0.21932 166 6PZ -0.04003 0.20950 -0.06765 -0.59718 0.13778 167 7D 0 0.00654 -0.03430 0.10795 0.09299 -0.04699 168 7D+1 0.09698 -0.08644 -0.01130 0.12627 -0.01528 169 7D-1 -0.01168 0.02520 0.03130 0.01908 0.04572 170 7D+2 0.03963 -0.01623 0.06045 0.10015 -0.05903 171 7D-2 0.01598 -0.03938 0.04466 0.10504 -0.04995 172 8D 0 -0.00587 0.08868 -0.30913 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0.04241 -0.02210 0.03211 -0.01731 0.07575 193 5PY -0.04273 0.04031 -0.02483 -0.02419 -0.17394 194 5PZ 0.01265 -0.03121 0.08348 -0.06456 -0.06165 186 187 188 189 190 V V V V V EIGENVALUES -- 1.61211 1.62791 1.85521 1.87851 1.99217 1 1 Cu 1S -0.06088 -0.12848 0.28544 -0.25523 -0.81312 2 2S -0.16151 -0.41348 0.70542 -0.57378 -1.70631 3 3S 0.92582 -1.75456 1.05309 -1.46262 0.73548 4 4PX -0.00159 -0.01735 0.02684 -0.01305 -0.02890 5 4PY -0.00388 -0.03047 0.01686 -0.02031 0.00240 6 4PZ 0.00495 -0.00001 -0.02262 0.00592 -0.00084 7 5PX -0.07151 -0.10040 -0.67988 0.17270 0.45939 8 5PY -0.04068 1.11512 -0.34788 0.66737 -0.15844 9 5PZ -0.00720 0.40145 0.80115 0.06355 -0.32312 10 6PX -0.38673 1.44781 0.26008 0.18754 -0.89716 11 6PY 0.37780 0.14419 -0.99010 -0.19919 0.37014 12 6PZ 0.76077 -1.47092 -1.71215 0.33302 -0.21177 13 7D 0 -0.00759 0.10848 -0.06548 -0.00533 0.05079 14 7D+1 -0.02928 -0.07571 0.02591 0.06715 -0.03802 15 7D-1 0.01899 0.04500 -0.03187 -0.06234 0.09099 16 7D+2 -0.03048 -0.04636 0.01163 -0.01670 0.03007 17 7D-2 -0.01337 -0.05240 -0.01624 -0.00649 -0.02257 18 8D 0 0.01135 -0.36440 0.25044 0.00192 -0.24226 19 8D+1 0.10157 0.25553 -0.08816 -0.24733 0.17827 20 8D-1 -0.05706 -0.15518 0.12321 0.21493 -0.36363 21 8D+2 0.09049 0.15964 -0.04766 0.05812 -0.09582 22 8D-2 0.05308 0.18288 0.04219 0.04297 0.10258 23 2 Cu 1S 0.30140 -0.05951 0.00850 -0.00599 0.11023 24 2S 0.68081 -0.14269 -0.00843 0.00246 0.18649 25 3S -1.75789 1.61983 -0.21507 0.71975 -0.47880 26 4PX 0.00409 0.01435 0.00078 -0.00655 -0.01112 27 4PY 0.00903 0.00255 -0.03218 -0.00072 -0.01367 28 4PZ -0.01598 -0.02188 0.00982 0.02492 -0.00440 29 5PX 0.04031 -0.67773 0.26927 -0.14294 0.20642 30 5PY -0.84220 0.81214 0.34380 0.40198 -0.14938 31 5PZ 0.37436 0.86048 -0.44005 -0.54777 0.13283 32 6PX 0.16429 -0.06499 -0.73338 -0.30262 -0.76832 33 6PY -0.74000 -0.02559 0.00274 -0.03544 -0.23058 34 6PZ -0.28189 0.44063 0.28730 0.31560 0.26484 35 7D 0 0.03280 0.03810 -0.04812 0.03881 -0.01923 36 7D+1 0.00655 -0.00845 -0.03253 0.03629 -0.00176 37 7D-1 -0.06286 -0.04837 0.04121 0.02361 -0.01251 38 7D+2 0.05638 -0.02324 -0.01454 0.01905 0.03186 39 7D-2 0.05340 0.03190 -0.02633 0.00724 -0.02018 40 8D 0 -0.13347 -0.12096 0.17381 -0.14400 0.05746 41 8D+1 -0.02441 0.02449 0.12128 -0.12796 0.00960 42 8D-1 0.21791 0.15372 -0.14761 -0.07505 0.05277 43 8D+2 -0.21930 0.08660 0.04863 -0.06925 -0.10530 44 8D-2 -0.18727 -0.09160 0.09694 -0.02899 0.05648 45 3 Cu 1S 0.14223 0.87368 -0.28402 -0.39301 -0.17677 46 2S 0.30060 1.79412 -0.56918 -0.76050 -0.25545 47 3S 0.45286 -1.55473 0.07227 1.82504 1.65497 48 4PX 0.00626 0.00794 0.00899 0.00472 0.01213 49 4PY -0.00085 0.00358 0.00453 -0.00206 -0.00484 50 4PZ -0.00170 -0.00703 -0.00736 -0.01458 -0.01483 51 5PX -0.15820 -0.39204 0.09190 0.03396 -0.30904 52 5PY -0.15158 0.00702 0.20721 0.22854 0.11844 53 5PZ 0.34494 0.94688 -0.06527 0.10416 0.44053 54 6PX 0.24498 -0.11883 -0.21191 -0.27901 0.35924 55 6PY 0.09967 -0.53285 -0.51930 -0.09879 -0.44331 56 6PZ -0.04738 -0.78021 -0.33854 0.13680 0.35378 57 7D 0 -0.01086 -0.05454 0.03500 -0.02124 -0.06854 58 7D+1 0.03287 0.09019 -0.00808 -0.00929 0.05349 59 7D-1 0.00700 0.00458 -0.01625 -0.02236 -0.05734 60 7D+2 -0.03166 -0.01473 -0.01197 0.00670 0.02494 61 7D-2 -0.00542 0.00822 0.00194 0.01511 0.03161 62 8D 0 0.05116 0.20756 -0.11856 0.05589 0.24781 63 8D+1 -0.11105 -0.30320 0.04229 0.04432 -0.19345 64 8D-1 -0.03014 0.01271 0.05403 0.06663 0.20651 65 8D+2 0.08219 0.03130 0.02737 -0.01331 -0.07994 66 8D-2 0.01882 -0.03551 -0.00749 -0.04849 -0.10857 67 4 Cu 1S -0.43708 -0.40264 -0.80129 0.40489 0.64383 68 2S -0.92481 -0.86487 -1.65136 0.82619 1.22233 69 3S 1.82265 2.34965 0.99739 -0.28579 -1.82268 70 4PX 0.00029 -0.00097 -0.00591 -0.00953 -0.00935 71 4PY 0.00577 0.01651 0.00743 -0.00204 0.01242 72 4PZ 0.01215 0.01055 0.02580 -0.00532 0.02691 73 5PX 0.04043 0.00068 -0.09039 0.17121 0.06065 74 5PY -0.31500 -0.20057 -0.03217 0.21264 -0.16588 75 5PZ -0.30620 -0.18688 -1.23779 0.63433 0.16845 76 6PX 0.11740 -0.57429 -0.73448 -0.18980 0.06674 77 6PY 0.36583 0.46527 0.01531 -0.30085 0.17634 78 6PZ 0.25871 0.58033 1.41966 0.24318 -0.32412 79 7D 0 0.02117 0.00631 0.11277 -0.05154 0.01268 80 7D+1 -0.00792 -0.03758 0.01641 -0.02447 -0.03489 81 7D-1 0.05575 0.05450 0.01453 0.00743 -0.00190 82 7D+2 -0.01203 0.01141 -0.01913 -0.03880 -0.03232 83 7D-2 -0.00687 -0.00716 -0.01549 -0.02441 -0.02772 84 8D 0 -0.07459 -0.02883 -0.39910 0.18092 -0.01635 85 8D+1 0.03898 0.12608 -0.05530 0.08261 0.12053 86 8D-1 -0.17275 -0.16175 -0.03568 -0.01245 0.00652 87 8D+2 0.03323 -0.04041 0.06437 0.12388 0.09781 88 8D-2 0.01310 0.02833 0.04782 0.07739 0.08782 89 5 Cu 1S -0.19115 0.45185 -0.33975 0.88650 -0.63350 90 2S -0.39445 0.92271 -0.70198 1.82503 -1.23095 91 3S 1.16732 0.18498 -0.72490 -0.80907 2.56524 92 4PX 0.00186 -0.00416 -0.00748 0.01707 0.00716 93 4PY -0.00531 0.00345 0.00122 -0.00925 -0.01274 94 4PZ -0.00159 0.01122 -0.00880 0.02219 0.00943 95 5PX -0.03220 -0.33568 0.26376 -0.87050 0.18462 96 5PY 0.22257 0.38868 -0.43129 0.20336 -0.03682 97 5PZ 0.02024 -0.38353 0.61667 -1.19263 -0.10393 98 6PX -0.01910 0.06413 0.37526 0.46249 0.09850 99 6PY 0.03495 0.45597 -0.00175 0.10078 -0.12431 100 6PZ -0.26819 0.22247 -0.21230 0.60510 -0.19119 101 7D 0 0.01563 -0.02320 0.04115 -0.03609 -0.02962 102 7D+1 0.00094 -0.03410 0.04409 -0.09681 0.02749 103 7D-1 0.03328 0.04531 -0.03025 0.03934 0.04227 104 7D+2 -0.01439 -0.02590 0.02737 -0.02743 0.03931 105 7D-2 0.00818 0.00572 0.00191 0.04093 0.00452 106 8D 0 -0.04213 0.06346 -0.13873 0.13315 0.10333 107 8D+1 -0.00579 0.11957 -0.15176 0.33428 -0.10205 108 8D-1 -0.10416 -0.15904 0.11272 -0.13608 -0.13759 109 8D+2 0.04396 0.09721 -0.07300 0.10251 -0.12409 110 8D-2 -0.02349 -0.01882 -0.00117 -0.13056 -0.00411 111 6 Cu 1S 0.49382 0.48205 0.52830 0.60231 0.69654 112 2S 1.01986 0.96448 1.10071 1.25445 1.32264 113 3S -1.85330 -0.48915 -1.99906 -0.33126 -2.49150 114 4PX -0.00054 -0.00187 -0.00771 -0.02090 0.01493 115 4PY 0.00914 0.00809 0.00354 0.00980 -0.02630 116 4PZ 0.00296 0.01076 -0.00760 -0.01853 -0.00400 117 5PX 0.18670 0.22171 0.17894 0.76861 -0.05337 118 5PY -0.18387 -0.26757 -0.31644 -0.50149 -0.07994 119 5PZ 0.02276 -0.14048 0.21314 0.90476 -0.11642 120 6PX -0.19581 0.04381 -0.12347 -0.23613 -0.13952 121 6PY 0.38027 0.67387 0.44799 -0.21127 -0.19637 122 6PZ 0.14076 0.69113 -0.10736 -0.97559 -0.44950 123 7D 0 -0.00799 -0.00156 -0.02821 -0.00969 0.01233 124 7D+1 -0.00474 0.01901 -0.04709 -0.11510 0.00698 125 7D-1 -0.03418 -0.04031 -0.04315 0.04974 -0.00270 126 7D+2 0.03059 0.03450 0.01217 -0.01658 -0.03710 127 7D-2 0.03812 0.04226 0.00963 0.04588 0.00447 128 8D 0 0.03702 0.01901 0.09878 0.04066 -0.04931 129 8D+1 0.02942 -0.04999 0.16397 0.39444 -0.02361 130 8D-1 0.11388 0.13376 0.14252 -0.16406 0.00766 131 8D+2 -0.08928 -0.10899 -0.05020 0.05223 0.10771 132 8D-2 -0.11254 -0.13253 -0.02933 -0.15164 -0.02719 133 7 Cu 1S -0.12065 -0.07510 0.44048 -0.42975 0.53960 134 2S -0.23928 -0.20110 0.92566 -0.98618 0.99151 135 3S 1.06755 -0.47689 -1.06409 -1.61196 -2.03319 136 4PX 0.00000 0.01812 -0.01452 0.03416 0.00190 137 4PY -0.00935 0.00915 0.01175 0.02871 0.02764 138 4PZ -0.00168 0.00131 0.01898 -0.01321 -0.02753 139 5PX 0.07094 -0.68214 0.39399 -1.01900 0.19955 140 5PY 0.19488 0.24778 -0.46930 -0.82011 -0.42903 141 5PZ -0.08832 -0.02555 -0.71642 0.29093 0.23931 142 6PX 0.07259 -0.02316 0.05930 0.19188 -0.98538 143 6PY 0.18399 0.00535 0.76019 0.24063 0.39299 144 6PZ -0.14258 0.60988 1.24620 0.48472 -0.40125 145 7D 0 -0.05621 -0.06998 -0.10989 -0.00928 0.03549 146 7D+1 -0.02002 0.03446 0.01891 0.04288 -0.03364 147 7D-1 0.00683 0.01317 0.01223 -0.04438 -0.01626 148 7D+2 -0.01154 0.04191 -0.06959 0.03120 -0.06865 149 7D-2 -0.03700 -0.02163 0.03612 0.01780 -0.00511 150 8D 0 0.17642 0.22283 0.39288 0.01970 -0.11833 151 8D+1 0.05499 -0.10473 -0.04735 -0.16395 0.10988 152 8D-1 -0.02289 -0.05007 -0.03569 0.15635 0.04000 153 8D+2 0.03881 -0.14186 0.23236 -0.11452 0.24124 154 8D-2 0.11835 0.08613 -0.12616 -0.03975 0.01613 155 8 Cu 1S 0.11226 0.36606 -0.73325 -0.68085 0.16679 156 2S 0.18737 0.69800 -1.43605 -1.36095 0.42370 157 3S -1.63491 -1.10484 2.35914 1.82882 1.52076 158 4PX -0.00666 -0.00494 -0.00289 -0.00961 -0.01015 159 4PY -0.00877 -0.01897 0.01195 0.00117 0.02613 160 4PZ -0.01498 -0.02544 -0.00207 -0.00321 0.01293 161 5PX 0.11940 -0.00779 -0.00515 0.33171 0.25453 162 5PY 0.29908 0.20945 -0.05044 0.03070 -0.72222 163 5PZ 0.27258 0.22221 0.75618 0.63668 -0.87562 164 6PX -0.22559 0.11036 0.38524 -0.53705 -0.46318 165 6PY 0.03391 -0.02706 -0.04448 0.05370 0.25089 166 6PZ 0.09394 0.02429 -0.74753 -0.77688 -0.03024 167 7D 0 0.01317 0.00174 0.09586 0.04061 -0.04490 168 7D+1 0.06719 0.05127 0.02165 0.07494 0.09064 169 7D-1 0.01656 -0.01566 0.05234 0.01631 -0.08623 170 7D+2 0.01827 0.00533 0.04590 0.01285 0.04209 171 7D-2 0.01476 -0.00280 -0.03154 -0.01937 0.05127 172 8D 0 -0.03267 0.02208 -0.33218 -0.16126 0.17834 173 8D+1 -0.20220 -0.16610 -0.06228 -0.25296 -0.31830 174 8D-1 -0.04269 0.08281 -0.19883 -0.05746 0.31326 175 8D+2 -0.04926 -0.01528 -0.14511 -0.05887 -0.13663 176 8D-2 -0.04498 -0.00384 0.10235 0.07788 -0.17618 177 9 C 1S -0.01938 0.01136 0.00193 0.00071 0.00351 178 2S -0.06259 -0.13004 0.07824 -0.03155 0.01243 179 3S -2.24153 1.47304 0.77292 -0.04495 0.28227 180 4PX -0.05917 0.02014 -0.00422 0.00606 0.04115 181 4PY 0.20745 -0.21662 0.00087 -0.02278 -0.05252 182 4PZ 0.05002 0.00245 -0.02657 -0.05486 0.01383 183 5PX 0.07654 0.17015 0.04269 -0.05306 -0.06804 184 5PY 0.51517 0.00514 -0.54012 0.05535 -0.36076 185 5PZ -0.18149 -0.25189 0.17391 0.38574 -0.17616 186 10 O 1S 0.07171 -0.03255 -0.02260 0.00472 -0.00871 187 2S -1.59749 0.75492 0.60149 -0.10784 0.28388 188 3S 2.93731 -1.44815 -1.21671 0.19739 -0.63097 189 4PX 0.04890 0.03815 -0.01158 -0.00763 -0.03360 190 4PY -0.05537 0.00923 0.00584 -0.01485 -0.02243 191 4PZ -0.04007 -0.02567 0.03683 0.05528 -0.02828 192 5PX -0.32770 -0.00937 0.10128 0.02064 0.13465 193 5PY 0.94767 -0.49650 -0.27332 0.06458 -0.09597 194 5PZ 0.26128 0.03126 -0.17018 -0.18941 0.06440 191 192 193 194 V V V V EIGENVALUES -- 2.05914 3.09999 4.17435 10.44262 1 1 Cu 1S -0.45156 -0.67510 -1.18482 -1.51314 2 2S -0.90097 -1.24920 -2.03140 -2.40938 3 3S 1.55968 2.72924 6.59375 3.52748 4 4PX 0.02095 -0.00631 0.07695 0.03772 5 4PY -0.02200 0.03970 0.00149 0.07808 6 4PZ -0.01678 0.09421 -0.06894 -0.00399 7 5PX -0.52192 0.75945 -1.28717 -0.74186 8 5PY -0.13944 -1.57891 -0.09500 1.10015 9 5PZ 0.40075 -3.01117 1.91298 0.56794 10 6PX 1.69714 -2.68932 -1.71026 -1.09993 11 6PY -2.91275 1.30962 -1.65985 -1.18316 12 6PZ -3.40115 5.28108 -1.05538 2.68599 13 7D 0 0.07609 0.01781 0.00903 -0.00319 14 7D+1 -0.03329 -0.04088 0.00487 -0.00385 15 7D-1 0.02507 -0.03678 0.03392 0.00612 16 7D+2 -0.02332 -0.00276 -0.02866 -0.00403 17 7D-2 -0.01014 -0.02116 0.00534 -0.01209 18 8D 0 -0.31483 -0.10275 -0.07088 0.05222 19 8D+1 0.16039 0.18453 -0.00596 0.02273 20 8D-1 -0.12906 0.13279 -0.16099 -0.04878 21 8D+2 0.07326 -0.00335 0.10105 0.08296 22 8D-2 0.05229 0.09384 -0.01646 0.04650 23 2 Cu 1S -0.20905 0.51888 1.03064 -3.19798 24 2S -0.43254 0.89050 1.79523 -5.16402 25 3S -0.15157 -3.13677 -5.09406 8.55071 26 4PX -0.02741 0.00490 0.01629 0.03407 27 4PY 0.05205 -0.03929 -0.02870 -0.05800 28 4PZ 0.03932 0.02333 -0.02374 -0.01220 29 5PX 0.46136 0.51450 0.37391 -2.57543 30 5PY -0.84702 -1.76907 -1.87574 6.90721 31 5PZ -0.64200 -0.92447 0.17660 1.69190 32 6PX -0.51400 0.87565 -0.10178 0.01016 33 6PY -0.30036 0.46121 0.51884 -0.76420 34 6PZ 0.70681 -1.36404 0.23867 -1.12136 35 7D 0 0.03110 -0.00602 0.01368 -0.04655 36 7D+1 -0.02543 0.01201 -0.00103 -0.00773 37 7D-1 0.01582 0.01761 -0.02992 0.02956 38 7D+2 0.06016 -0.00518 0.01779 -0.05426 39 7D-2 -0.01345 0.01054 0.01467 -0.02509 40 8D 0 -0.11278 0.00497 -0.09721 0.32394 41 8D+1 0.10131 -0.05090 -0.00380 0.05937 42 8D-1 -0.04700 -0.03823 0.15391 -0.21624 43 8D+2 -0.21480 -0.00819 -0.13388 0.42797 44 8D-2 0.03989 -0.07079 -0.09304 0.22808 45 3 Cu 1S 0.25045 -1.22861 0.57204 -0.30432 46 2S 0.54393 -2.18780 1.09780 -0.41104 47 3S -1.03881 2.61011 -1.24482 -0.51057 48 4PX 0.01029 0.01844 -0.00095 0.02208 49 4PY -0.00130 0.00568 0.01536 0.00756 50 4PZ -0.01515 -0.03223 0.00530 -0.01723 51 5PX -0.30022 0.26085 -0.30569 -0.11356 52 5PY 0.27155 -0.54309 -0.05575 0.18928 53 5PZ 0.70488 -0.70610 0.95558 -0.16334 54 6PX -0.72633 0.69084 0.55980 0.46522 55 6PY -0.45999 1.43598 0.00892 1.29815 56 6PZ -0.94634 0.45379 -0.10389 -0.39345 57 7D 0 -0.08108 0.01278 -0.04703 0.00541 58 7D+1 0.06166 -0.00762 0.03484 0.00961 59 7D-1 -0.04832 0.01104 -0.05289 -0.00846 60 7D+2 -0.01791 -0.02615 0.00593 0.01825 61 7D-2 0.00942 -0.00442 0.00434 -0.00327 62 8D 0 0.29509 -0.06358 0.21955 -0.04255 63 8D+1 -0.22549 0.04648 -0.16312 -0.02581 64 8D-1 0.18587 -0.05897 0.22291 0.05483 65 8D+2 0.05615 0.10095 -0.02204 -0.09565 66 8D-2 -0.03860 0.02533 -0.02248 0.00075 67 4 Cu 1S -0.13585 -0.91690 -0.33987 -0.90787 68 2S -0.30677 -1.65627 -0.53896 -1.45074 69 3S -0.21841 1.97204 0.66903 -0.43574 70 4PX -0.00100 -0.02809 -0.00306 -0.03733 71 4PY -0.01202 -0.01737 -0.01281 0.01344 72 4PZ 0.01518 -0.02184 -0.02326 -0.03253 73 5PX -0.00073 0.00682 0.11839 -0.70799 74 5PY 0.12914 -0.14322 0.00698 0.57453 75 5PZ -0.45295 -0.32625 0.48797 -0.35063 76 6PX -1.36874 0.67608 0.99349 -0.23025 77 6PY -0.56476 -0.25425 -1.09665 0.77057 78 6PZ 1.38315 -0.37714 -0.00472 -0.04284 79 7D 0 0.06537 0.00353 -0.01747 -0.00146 80 7D+1 -0.02346 0.01751 -0.00815 0.01181 81 7D-1 -0.05040 -0.00344 -0.02078 -0.00922 82 7D+2 0.00576 -0.01669 0.00606 0.00455 83 7D-2 0.00646 0.00448 -0.00261 -0.00064 84 8D 0 -0.23807 -0.01871 0.06898 0.00441 85 8D+1 0.09345 -0.07683 0.04926 -0.09577 86 8D-1 0.17187 -0.00299 0.07714 0.06480 87 8D+2 -0.02532 0.05142 -0.02086 -0.03959 88 8D-2 -0.03202 -0.03434 0.00988 0.02972 89 5 Cu 1S 0.61205 0.55304 -0.58903 -0.66570 90 2S 1.14895 1.01127 -1.00175 -1.04286 91 3S -2.78726 -1.92624 -0.03445 -2.30108 92 4PX -0.01681 -0.00437 0.01612 0.01466 93 4PY -0.00514 0.01269 -0.02353 0.01150 94 4PZ -0.02213 -0.02224 0.01671 0.03396 95 5PX 0.15920 0.06689 -0.12328 -0.06286 96 5PY -0.55241 -0.11020 -0.13268 0.12800 97 5PZ -0.10294 -0.51184 0.18566 0.93172 98 6PX 0.16893 0.21287 0.29299 -0.29466 99 6PY 0.32130 -1.20090 -0.34971 0.10764 100 6PZ 0.49248 -0.65214 -0.40365 0.69763 101 7D 0 -0.04280 -0.01813 0.01082 0.01433 102 7D+1 0.03370 -0.00709 -0.00719 -0.00401 103 7D-1 -0.00375 0.03217 0.00979 -0.00768 104 7D+2 0.03231 0.01332 -0.01140 0.00950 105 7D-2 -0.01348 -0.01011 0.01421 0.00322 106 8D 0 0.15675 0.09243 -0.04097 -0.11184 107 8D+1 -0.09487 0.03871 0.02572 0.00220 108 8D-1 0.02571 -0.14118 -0.02396 0.01995 109 8D+2 -0.08118 -0.05749 0.06163 -0.04276 110 8D-2 0.05561 0.04273 -0.04518 -0.01706 111 6 Cu 1S -0.57863 -0.22627 -0.80886 -0.07096 112 2S -1.11928 -0.39727 -1.36537 -0.09517 113 3S 1.42080 -1.01350 -0.08383 -1.80221 114 4PX -0.01187 0.00785 -0.03144 -0.00062 115 4PY -0.00535 0.01433 0.02849 -0.00100 116 4PZ -0.01006 -0.00007 -0.01660 -0.00301 117 5PX -0.36205 -0.13027 -0.32433 -0.24222 118 5PY 0.05554 -0.08291 0.12870 0.14685 119 5PZ -0.24958 -0.29742 0.26367 0.11344 120 6PX 0.37684 -0.40001 -0.70837 0.24011 121 6PY 0.19927 0.17188 -0.00368 0.14571 122 6PZ -0.07375 -0.20996 -0.42586 0.06523 123 7D 0 -0.01640 0.02026 -0.01147 0.00346 124 7D+1 0.00507 0.02206 -0.01784 -0.00515 125 7D-1 -0.02645 -0.01826 0.00322 -0.00265 126 7D+2 -0.03305 0.00104 0.01159 0.00533 127 7D-2 -0.02358 0.01913 0.00376 0.00882 128 8D 0 0.05299 -0.08573 0.05582 -0.01735 129 8D+1 -0.04368 -0.09218 0.06365 0.02181 130 8D-1 0.08267 0.07062 -0.01688 0.01219 131 8D+2 0.08718 0.00976 -0.05417 -0.03076 132 8D-2 0.08694 -0.07359 0.00683 -0.04595 133 7 Cu 1S 1.02817 -0.00026 -0.96902 -1.10351 134 2S 1.96774 0.02719 -1.71186 -1.76144 135 3S -3.47507 1.36666 1.54332 -0.78898 136 4PX 0.02476 0.00283 -0.02525 -0.05568 137 4PY 0.00934 -0.01545 -0.03878 0.00273 138 4PZ 0.01266 0.01341 0.01449 0.02953 139 5PX 0.00990 0.42242 -0.10745 -0.86244 140 5PY -0.54780 0.13847 -0.09663 0.46402 141 5PZ -0.86504 -0.59740 0.02667 0.53169 142 6PX -0.12774 0.74787 0.72151 -0.19468 143 6PY 0.48689 -0.98091 0.17448 0.86011 144 6PZ 2.10267 -0.54571 0.25847 -0.02808 145 7D 0 -0.04927 -0.01349 -0.01018 -0.00541 146 7D+1 0.05799 0.01678 -0.01779 -0.00963 147 7D-1 0.04095 0.02433 0.00940 0.00084 148 7D+2 0.00023 0.01610 0.00977 0.00384 149 7D-2 0.06595 -0.01634 0.00356 0.00343 150 8D 0 0.18331 0.04903 0.04503 0.03617 151 8D+1 -0.20437 -0.07862 0.06902 0.09158 152 8D-1 -0.14456 -0.10068 -0.03258 -0.01288 153 8D+2 0.01312 -0.04682 -0.03185 -0.05503 154 8D-2 -0.24153 0.06238 -0.02986 -0.00163 155 8 Cu 1S -0.43654 0.86767 -1.01425 -0.03280 156 2S -0.68333 1.64704 -1.70759 -0.01944 157 3S 4.84983 -1.37482 0.48697 -2.15810 158 4PX 0.00896 0.00837 0.00385 0.00116 159 4PY 0.02995 -0.00139 0.03350 0.00188 160 4PZ 0.03322 0.00158 0.03650 -0.00118 161 5PX -0.18662 0.43400 -0.34109 -0.10636 162 5PY -0.86026 -0.51926 0.20184 0.02463 163 5PZ -0.66849 -1.39831 0.40478 0.27936 164 6PX 0.93660 -0.50101 0.63475 0.01792 165 6PY 0.16780 -0.74220 0.56927 0.32296 166 6PZ -0.81341 0.77885 0.24643 -0.45533 167 7D 0 -0.03322 -0.07195 -0.01152 -0.00550 168 7D+1 -0.01365 0.04253 -0.01119 0.00624 169 7D-1 -0.05854 -0.05157 -0.00179 -0.01536 170 7D+2 0.00618 -0.01523 0.00406 0.00052 171 7D-2 -0.01261 0.03127 0.01293 0.01271 172 8D 0 0.11747 0.30080 0.03699 0.01919 173 8D+1 0.03230 -0.18060 0.04670 -0.02829 174 8D-1 0.19975 0.22333 -0.01221 0.07369 175 8D+2 -0.02118 0.06298 -0.00832 -0.00709 176 8D-2 0.02845 -0.13320 -0.04295 -0.05933 177 9 C 1S 0.00211 0.00781 0.01141 -0.05184 178 2S -0.02505 0.30099 0.26847 -1.03002 179 3S -1.16540 -0.72245 -0.57292 4.73448 180 4PX 0.03329 -0.00928 -0.00426 -0.08040 181 4PY 0.01586 0.01271 -0.07536 0.11627 182 4PZ -0.03948 -0.04802 0.01395 0.02695 183 5PX -0.23230 0.40486 0.65098 -0.96158 184 5PY 0.48021 -1.45323 -1.71526 4.23935 185 5PZ 0.31348 0.11290 -0.61538 0.94736 186 10 O 1S 0.01899 -0.00441 0.00038 -0.01062 187 2S -0.60072 0.39966 0.44701 -0.49327 188 3S 1.31966 -1.06474 -1.35867 1.72527 189 4PX -0.02878 0.03013 0.04531 -0.04464 190 4PY -0.01059 -0.05619 -0.06275 0.18511 191 4PZ 0.04083 0.04065 -0.05118 0.04673 192 5PX 0.01639 -0.06692 -0.12344 0.14313 193 5PY 0.33330 0.03268 -0.05711 -0.52127 194 5PZ -0.09141 -0.17857 0.17069 -0.19472 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 2.00543 2 2S 0.00956 0.29830 3 3S 0.04427 0.00033 0.80774 4 4PX 0.00323 0.00916 -0.08883 1.99720 5 4PY 0.00303 0.01516 -0.12261 -0.00228 1.99878 6 4PZ -0.00076 -0.00268 0.00104 -0.00079 0.00197 7 5PX -0.00712 -0.00995 -0.12759 0.03431 0.01569 8 5PY -0.00591 -0.02197 -0.07051 0.01626 0.04245 9 5PZ 0.00096 0.00184 0.03591 0.00168 -0.00371 10 6PX -0.01037 0.07527 -0.09354 -0.02560 0.03346 11 6PY -0.00843 0.06148 -0.04878 0.02545 -0.01987 12 6PZ 0.00526 -0.05727 0.10395 -0.00352 -0.00527 13 7D 0 0.00000 -0.03012 -0.15779 0.00318 -0.00074 14 7D+1 -0.00049 0.01974 0.10126 0.00053 -0.00163 15 7D-1 -0.00053 -0.02565 -0.15320 0.00026 0.00254 16 7D+2 0.00078 0.01207 0.08587 -0.00401 0.00416 17 7D-2 0.00040 0.01969 0.22401 -0.00064 -0.00525 18 8D 0 -0.00136 -0.00836 -0.05632 0.00140 0.00118 19 8D+1 0.00011 0.00482 0.03388 0.00084 -0.00006 20 8D-1 -0.00097 -0.00625 -0.05371 0.00036 0.00042 21 8D+2 0.00050 0.00287 0.02928 -0.00142 0.00251 22 8D-2 0.00104 0.00735 0.07565 -0.00131 -0.00235 23 2 Cu 1S -0.00386 -0.00630 -0.00930 -0.00059 0.00201 24 2S -0.00932 0.06448 -0.16185 -0.00574 0.03536 25 3S -0.00809 0.00915 -0.25483 0.01369 0.03718 26 4PX -0.00038 -0.00831 0.00221 0.00310 0.00358 27 4PY -0.00189 -0.03625 0.00614 0.00095 -0.00482 28 4PZ 0.00019 0.00401 0.00112 -0.00022 -0.00254 29 5PX 0.00050 0.04845 0.07352 -0.01240 -0.01286 30 5PY -0.00624 0.03630 -0.19935 0.00609 0.05246 31 5PZ -0.00001 -0.02626 -0.03098 0.00120 0.01527 32 6PX -0.00073 -0.02990 0.03141 0.00910 -0.00246 33 6PY -0.00251 0.00763 -0.04627 0.00664 0.00309 34 6PZ -0.00101 0.04147 -0.03988 -0.00283 -0.00511 35 7D 0 -0.00030 -0.04971 -0.06868 0.00373 -0.01643 36 7D+1 0.00035 0.00815 0.00079 -0.00169 -0.00066 37 7D-1 0.00055 0.01976 0.03385 -0.00085 0.01040 38 7D+2 0.00045 -0.05316 -0.12765 0.00005 -0.02634 39 7D-2 0.00150 0.00038 0.04033 -0.00889 -0.00277 40 8D 0 0.00001 -0.01710 -0.02432 0.00111 -0.00291 41 8D+1 0.00009 0.00121 0.00111 -0.00052 0.00006 42 8D-1 0.00031 0.00783 0.01254 -0.00038 0.00218 43 8D+2 0.00032 -0.01933 -0.04206 -0.00041 -0.00410 44 8D-2 0.00051 -0.00240 0.01482 -0.00358 -0.00040 45 3 Cu 1S -0.00228 -0.00565 -0.00387 -0.00097 0.00228 46 2S -0.00333 0.18540 -0.16976 -0.01936 0.01912 47 3S -0.00223 0.08076 -0.16290 -0.00056 0.00828 48 4PX 0.00106 0.00835 -0.00039 0.00112 0.00129 49 4PY 0.00146 0.00126 -0.03760 -0.00152 0.00127 50 4PZ -0.00042 -0.01506 -0.06504 -0.00087 -0.00163 51 5PX 0.00010 -0.00054 0.04457 -0.00711 -0.00218 52 5PY -0.00110 0.01685 -0.00616 0.00337 -0.00084 53 5PZ 0.00010 0.02768 -0.04231 0.00124 0.00801 54 6PX 0.00392 -0.01111 0.03716 0.00519 -0.01044 55 6PY 0.00311 -0.05182 0.02767 0.00383 0.00220 56 6PZ -0.00115 -0.01766 -0.03061 0.00736 -0.00194 57 7D 0 0.00226 0.05014 0.16372 -0.01619 0.01712 58 7D+1 -0.00002 -0.03278 -0.15639 -0.00571 -0.00908 59 7D-1 0.00373 0.06369 0.16223 -0.01353 -0.00320 60 7D+2 -0.00159 -0.01311 0.00295 0.00597 0.00348 61 7D-2 -0.00056 -0.02221 -0.07977 -0.00282 -0.00102 62 8D 0 0.00190 0.01828 0.05671 -0.00415 0.00476 63 8D+1 -0.00085 -0.01315 -0.05193 -0.00393 -0.00192 64 8D-1 0.00223 0.02167 0.05693 -0.00322 -0.00236 65 8D+2 -0.00068 -0.00377 -0.00127 0.00202 0.00154 66 8D-2 -0.00039 -0.00723 -0.02724 -0.00228 0.00001 67 4 Cu 1S -0.00353 -0.01111 0.00211 0.00334 0.00212 68 2S -0.01037 0.05398 -0.13293 0.02914 0.02019 69 3S -0.00264 -0.04379 0.00018 0.01542 0.01087 70 4PX -0.00266 -0.02767 -0.00801 0.00397 -0.00208 71 4PY -0.00101 -0.00961 -0.00072 -0.00040 0.00358 72 4PZ -0.00115 -0.00714 -0.03520 -0.00243 -0.00130 73 5PX -0.00300 0.04801 -0.02054 -0.00392 0.00846 74 5PY -0.00099 0.02174 0.00789 0.00726 -0.00352 75 5PZ -0.00181 -0.00515 -0.00151 0.00910 0.00605 76 6PX 0.00238 -0.01911 0.02009 0.00349 -0.01037 77 6PY -0.00239 0.00036 -0.02736 -0.00666 0.00944 78 6PZ -0.00107 0.00993 -0.02649 -0.00594 0.00664 79 7D 0 0.00042 0.00116 0.03883 0.00430 0.00261 80 7D+1 0.00086 0.04701 0.24682 0.01920 0.01147 81 7D-1 0.00135 0.02185 0.21292 0.01367 0.00621 82 7D+2 -0.00089 -0.00697 0.07423 0.00176 0.00930 83 7D-2 0.00169 0.04376 0.20402 0.01182 -0.00049 84 8D 0 0.00031 0.00091 0.01389 0.00183 0.00118 85 8D+1 0.00039 0.01606 0.08600 0.00412 0.00308 86 8D-1 0.00062 0.00760 0.07097 0.00362 0.00145 87 8D+2 -0.00035 -0.00199 0.02324 -0.00120 0.00332 88 8D-2 0.00056 0.01479 0.06834 0.00252 -0.00075 89 5 Cu 1S -0.00297 -0.00797 -0.00262 0.00071 0.00260 90 2S -0.00771 0.11152 -0.13936 -0.00806 0.02895 91 3S -0.00741 0.02648 -0.14936 0.00598 0.02342 92 4PX 0.00070 0.00190 -0.01116 0.00164 0.00095 93 4PY -0.00119 -0.01759 -0.01890 -0.00056 0.00358 94 4PZ 0.00136 0.01597 0.06306 0.00053 0.00202 95 5PX 0.00013 0.01340 0.01795 -0.00710 0.00071 96 5PY -0.00194 0.03657 -0.01532 0.00332 -0.00204 97 5PZ 0.00237 -0.02372 0.02945 -0.00366 -0.00793 98 6PX 0.00111 0.00726 -0.00311 0.00753 -0.00779 99 6PY -0.00088 -0.00298 -0.03497 0.00342 -0.00173 100 6PZ 0.00079 0.00627 0.02572 -0.00627 0.00164 101 7D 0 0.00149 0.02875 0.16034 -0.00126 0.01758 102 7D+1 -0.00049 0.00458 -0.00359 0.01076 -0.00051 103 7D-1 -0.00221 -0.06188 -0.31281 0.00409 -0.01400 104 7D+2 -0.00118 -0.02063 -0.04269 0.00051 -0.00150 105 7D-2 0.00137 0.01380 -0.03023 -0.00883 -0.00553 106 8D 0 0.00090 0.01117 0.05514 0.00005 0.00439 107 8D+1 -0.00006 0.00221 -0.00021 0.00456 -0.00063 108 8D-1 -0.00123 -0.02082 -0.10548 0.00014 -0.00228 109 8D+2 -0.00051 -0.00673 -0.01437 -0.00017 0.00101 110 8D-2 0.00048 0.00429 -0.00986 -0.00376 -0.00171 111 6 Cu 1S -0.00258 -0.00758 -0.00253 0.00455 -0.00032 112 2S -0.00660 0.07151 -0.00446 0.04546 -0.02727 113 3S -0.01095 0.00805 -0.15731 0.03039 0.01143 114 4PX -0.00146 -0.02207 -0.06444 0.00116 -0.00039 115 4PY 0.00027 0.00196 0.01856 0.00255 0.00200 116 4PZ -0.00104 -0.00683 0.01264 -0.00029 0.00182 117 5PX -0.00430 0.03806 -0.03250 0.01028 0.00186 118 5PY 0.00201 0.01300 0.02942 -0.00730 -0.00869 119 5PZ 0.00020 0.00804 0.00745 -0.00120 -0.00292 120 6PX -0.00186 -0.00163 -0.05348 -0.00771 0.01346 121 6PY 0.00076 -0.00416 0.03616 -0.00510 0.00687 122 6PZ -0.00287 -0.00402 -0.01510 0.00427 0.00555 123 7D 0 -0.00253 -0.04591 -0.13173 -0.01439 0.00934 124 7D+1 -0.00123 -0.01488 -0.10224 -0.00218 0.00261 125 7D-1 0.00075 0.00202 -0.03003 0.00014 0.00031 126 7D+2 0.00213 0.04208 0.17552 0.02106 -0.01441 127 7D-2 -0.00046 -0.02079 -0.22685 -0.02093 -0.00185 128 8D 0 -0.00093 -0.01523 -0.04623 -0.00300 0.00214 129 8D+1 -0.00049 -0.00566 -0.03379 -0.00052 0.00071 130 8D-1 0.00029 0.00042 -0.01043 -0.00025 0.00007 131 8D+2 0.00069 0.01457 0.05785 0.00450 -0.00422 132 8D-2 -0.00020 -0.00749 -0.08018 -0.00567 -0.00285 133 7 Cu 1S -0.00305 -0.01259 -0.00381 0.00277 0.00185 134 2S -0.01269 -0.00024 -0.13559 0.03316 0.02664 135 3S -0.00918 -0.05816 0.07574 0.01372 0.00386 136 4PX -0.00166 -0.02190 -0.01493 0.00220 -0.00354 137 4PY -0.00115 -0.01705 -0.00099 -0.00190 0.00458 138 4PZ 0.00038 0.00164 0.02044 0.00241 0.00148 139 5PX -0.00564 0.02577 -0.00685 0.00160 0.01157 140 5PY -0.00348 0.01847 0.00825 0.01206 -0.00407 141 5PZ 0.00218 0.00623 0.00485 -0.00871 -0.00176 142 6PX -0.00066 0.00067 0.00259 0.00564 -0.00879 143 6PY 0.00266 0.00726 0.00395 -0.01529 0.00243 144 6PZ 0.00188 -0.00567 -0.01084 0.00563 -0.00054 145 7D 0 -0.00060 -0.01771 -0.11081 -0.00602 -0.00642 146 7D+1 -0.00032 -0.01982 -0.08363 -0.01014 -0.00712 147 7D-1 -0.00157 -0.02389 -0.12882 -0.00853 -0.00365 148 7D+2 0.00018 0.00373 0.03144 0.00195 0.00410 149 7D-2 0.00075 0.02905 0.26502 0.01824 0.00949 150 8D 0 0.00007 -0.00591 -0.03837 -0.00123 -0.00173 151 8D+1 0.00021 -0.00666 -0.03092 -0.00325 -0.00217 152 8D-1 -0.00039 -0.00765 -0.04216 -0.00305 -0.00098 153 8D+2 -0.00016 0.00114 0.01051 -0.00051 0.00230 154 8D-2 -0.00035 0.00894 0.08922 0.00543 0.00273 155 8 Cu 1S -0.00297 -0.00688 0.00406 0.00300 -0.00102 156 2S -0.00399 0.15674 -0.04617 0.01529 -0.02795 157 3S -0.00028 0.07931 -0.19800 -0.00334 -0.00202 158 4PX 0.00091 -0.00439 -0.03365 0.00241 -0.00252 159 4PY 0.00200 0.01076 -0.01306 -0.00016 0.00201 160 4PZ 0.00098 0.01274 0.04963 0.00130 0.00009 161 5PX -0.00083 0.02478 -0.02083 -0.00521 0.00429 162 5PY -0.00029 -0.00706 0.04537 0.00013 -0.00864 163 5PZ -0.00072 -0.02367 0.03215 -0.00561 0.00227 164 6PX 0.00041 -0.02030 -0.01440 0.00410 0.00490 165 6PY 0.00254 -0.00656 0.03517 -0.00317 0.00129 166 6PZ 0.00013 0.01629 0.04507 0.00354 -0.00541 167 7D 0 0.00226 0.05288 0.10913 0.01631 -0.01735 168 7D+1 -0.00250 -0.06160 -0.10967 -0.00029 0.01876 169 7D-1 0.00122 0.05134 0.25575 0.01259 -0.00140 170 7D+2 0.00063 0.00712 -0.07344 -0.00909 -0.00334 171 7D-2 -0.00092 -0.01226 -0.06340 -0.00188 -0.00011 172 8D 0 0.00180 0.01938 0.03981 0.00458 -0.00479 173 8D+1 -0.00167 -0.02011 -0.04061 0.00119 0.00492 174 8D-1 0.00139 0.01747 0.08982 0.00324 0.00213 175 8D+2 0.00021 0.00319 -0.02412 -0.00344 -0.00173 176 8D-2 -0.00083 -0.00544 -0.02226 0.00024 -0.00094 177 9 C 1S -0.00002 0.01290 -0.01988 -0.00048 0.00371 178 2S 0.00201 -0.02328 0.06213 -0.00001 -0.01158 179 3S 0.00297 -0.05378 0.07492 0.00928 0.00192 180 4PX 0.00031 0.03958 -0.03644 -0.00587 -0.00301 181 4PY 0.00151 -0.01857 0.14921 -0.00020 -0.00961 182 4PZ -0.00007 -0.02190 0.02273 0.00073 0.00363 183 5PX 0.00074 0.02050 -0.00018 -0.00280 -0.00702 184 5PY 0.00171 -0.01966 -0.01654 0.00261 0.00287 185 5PZ -0.00036 -0.01151 -0.00906 0.00126 0.00469 186 10 O 1S 0.00015 -0.00182 -0.02172 0.00009 -0.00098 187 2S -0.00071 0.00663 0.03879 -0.00038 0.00299 188 3S -0.00045 -0.00141 0.06423 -0.00037 0.00343 189 4PX -0.00070 -0.03103 0.04471 0.00515 0.00349 190 4PY -0.00007 0.00594 -0.13568 -0.00004 0.00724 191 4PZ 0.00070 0.01849 -0.02448 -0.00084 -0.00355 192 5PX -0.00064 -0.02039 0.01502 0.00319 0.00457 193 5PY -0.00035 0.00135 -0.02708 -0.00092 0.00188 194 5PZ 0.00046 0.01163 -0.00421 -0.00077 -0.00333 6 7 8 9 10 6 4PZ 2.00149 7 5PX 0.00256 0.09995 8 5PY -0.00485 -0.00659 0.08829 9 5PZ 0.00964 -0.02948 0.02306 0.14076 10 6PX 0.00031 0.01605 -0.00289 -0.02233 0.12293 11 6PY -0.00436 -0.00161 0.00259 0.01735 -0.06451 12 6PZ -0.05908 -0.02411 0.00865 0.06035 -0.13628 13 7D 0 0.00058 -0.04791 -0.02131 -0.01554 -0.06948 14 7D+1 -0.00360 0.01465 0.01016 0.03234 0.03023 15 7D-1 -0.00483 0.01757 -0.02828 0.06083 0.10140 16 7D+2 0.00092 0.06490 -0.09739 0.01650 0.06566 17 7D-2 -0.00115 0.00896 0.03409 0.01470 0.01134 18 8D 0 0.00013 -0.01529 -0.00714 -0.00520 -0.02258 19 8D+1 -0.00144 0.00594 0.00443 0.00950 0.00812 20 8D-1 -0.00126 0.00593 -0.00952 0.01936 0.03346 21 8D+2 0.00074 0.02038 -0.03184 0.00591 0.02145 22 8D-2 0.00005 0.00172 0.00983 0.00503 0.00333 23 2 Cu 1S 0.00019 0.00017 0.00739 0.00177 0.00549 24 2S 0.00709 0.02389 -0.03677 -0.01372 0.05430 25 3S 0.00349 0.01977 0.04245 0.00870 0.06779 26 4PX 0.00055 -0.00651 -0.01084 -0.00198 -0.00368 27 4PY -0.00240 -0.00272 0.01573 0.00525 -0.00703 28 4PZ 0.00503 0.00170 0.00473 -0.01301 -0.00338 29 5PX -0.00312 0.01095 0.00258 0.00334 -0.00559 30 5PY 0.01135 0.03447 0.01093 -0.01023 0.05664 31 5PZ -0.01397 0.00397 -0.00953 0.01620 -0.01060 32 6PX -0.00539 -0.00439 -0.00805 0.00383 -0.02818 33 6PY -0.00201 0.00982 -0.01490 -0.00490 -0.00406 34 6PZ 0.02079 0.00808 0.00355 -0.02112 0.05076 35 7D 0 -0.00487 -0.02326 0.05813 0.01449 -0.02395 36 7D+1 -0.00161 0.01116 -0.00560 0.00509 0.05235 37 7D-1 -0.00671 0.00534 -0.02300 -0.00769 0.01713 38 7D+2 -0.00638 0.01998 0.09635 0.01821 0.06924 39 7D-2 -0.00069 0.01920 -0.02464 -0.00620 -0.07220 40 8D 0 -0.00141 -0.00726 0.02004 0.00415 -0.00738 41 8D+1 -0.00080 0.00323 -0.00214 0.00209 0.01677 42 8D-1 -0.00337 0.00180 -0.00743 -0.00417 0.00508 43 8D+2 -0.00185 0.00729 0.03330 0.00560 0.02289 44 8D-2 -0.00023 0.00578 -0.00792 -0.00164 -0.02471 45 3 Cu 1S 0.00406 0.00111 0.00090 -0.00089 -0.01057 46 2S 0.04285 0.06688 -0.02235 -0.10264 0.08316 47 3S 0.00152 0.00796 0.03678 0.04884 -0.05191 48 4PX 0.00203 -0.00194 -0.00524 -0.01645 0.01631 49 4PY 0.00218 0.00771 -0.00789 -0.00690 0.00403 50 4PZ 0.00170 -0.00237 0.01474 0.00617 -0.03402 51 5PX -0.00478 0.00505 0.00250 0.00610 0.00680 52 5PY 0.00113 -0.00718 0.00711 0.01425 0.00270 53 5PZ -0.00349 -0.00650 -0.00063 0.01844 0.00026 54 6PX -0.00181 -0.00011 0.00136 -0.00453 -0.02968 55 6PY -0.01491 -0.00436 0.00315 0.01554 -0.03774 56 6PZ -0.00268 -0.00018 0.00731 0.01296 -0.02439 57 7D 0 0.01890 0.07751 -0.09773 -0.07498 0.01963 58 7D+1 -0.01997 0.05282 0.02422 0.08722 0.07915 59 7D-1 0.02658 0.06482 -0.03377 -0.15866 0.05225 60 7D+2 -0.00454 -0.01269 -0.02270 0.06202 0.03928 61 7D-2 -0.01383 0.03114 0.00605 0.05061 0.08895 62 8D 0 0.00185 0.02633 -0.03329 -0.02603 0.00677 63 8D+1 -0.00377 0.01697 0.00891 0.03158 0.02541 64 8D-1 0.00568 0.02142 -0.01121 -0.05263 0.01705 65 8D+2 -0.00140 -0.00355 -0.00806 0.01979 0.01347 66 8D-2 -0.00361 0.01025 0.00176 0.01731 0.03001 67 4 Cu 1S 0.00244 0.00298 0.00259 0.00182 -0.00247 68 2S 0.03637 -0.03402 -0.02273 -0.06682 0.05984 69 3S 0.00140 -0.00094 0.01119 0.00297 0.03161 70 4PX -0.00156 -0.00342 0.00585 0.00717 0.02481 71 4PY 0.00096 0.00492 -0.01381 -0.00703 -0.00398 72 4PZ 0.00171 0.01595 0.00606 -0.00313 -0.00583 73 5PX 0.00616 0.01783 -0.00138 -0.00568 0.03552 74 5PY 0.00312 -0.00179 0.01458 0.00091 -0.00120 75 5PZ -0.00327 -0.00694 -0.00410 0.00473 0.00202 76 6PX -0.01519 0.01589 -0.00018 -0.00871 -0.02778 77 6PY -0.00719 -0.00301 0.01034 0.01274 0.00338 78 6PZ 0.00403 0.00396 0.00451 0.00483 0.03519 79 7D 0 -0.00590 0.01290 0.00140 0.02706 -0.06257 80 7D+1 0.01410 -0.08710 -0.04256 -0.05044 0.08361 81 7D-1 0.00793 -0.05257 -0.08018 -0.03686 -0.06210 82 7D+2 0.00623 -0.03861 -0.03055 -0.00616 -0.04323 83 7D-2 0.01783 -0.05256 -0.04338 -0.07706 -0.03983 84 8D 0 -0.00247 0.00465 -0.00033 0.00761 -0.01975 85 8D+1 0.00215 -0.03037 -0.01473 -0.01741 0.02820 86 8D-1 0.00102 -0.01740 -0.02713 -0.01248 -0.02063 87 8D+2 0.00130 -0.01361 -0.01013 -0.00189 -0.01371 88 8D-2 0.00488 -0.01747 -0.01428 -0.02575 -0.01404 89 5 Cu 1S -0.00373 -0.00011 0.00403 -0.00112 -0.00529 90 2S -0.04134 0.02845 -0.03226 0.07289 0.01442 91 3S -0.01049 0.02437 0.01271 -0.02198 -0.02168 92 4PX -0.00221 -0.00746 -0.00093 0.01199 0.00554 93 4PY 0.00005 -0.00119 -0.00491 -0.00176 -0.01024 94 4PZ 0.00172 0.00078 -0.01751 -0.00201 0.01234 95 5PX 0.00243 0.00967 0.00056 -0.00597 0.01474 96 5PY -0.00588 0.00278 0.01659 -0.00364 0.00347 97 5PZ -0.00047 0.00139 -0.00025 0.01080 0.00581 98 6PX 0.00518 0.00139 -0.00195 0.00913 -0.01217 99 6PY 0.01543 0.00756 0.01299 -0.01228 0.02025 100 6PZ -0.00097 -0.00302 -0.00454 0.00401 0.01521 101 7D 0 -0.01087 -0.01265 -0.04026 0.04399 -0.03215 102 7D+1 -0.00332 -0.06344 0.03030 0.02551 -0.06546 103 7D-1 0.02987 0.00333 0.08829 -0.12215 0.07649 104 7D+2 0.01329 0.02108 0.02992 -0.07521 0.02086 105 7D-2 0.00138 0.05097 0.02283 0.02063 -0.04420 106 8D 0 -0.00061 -0.00476 -0.01349 0.01576 -0.01131 107 8D+1 -0.00084 -0.02121 0.00940 0.01000 -0.02281 108 8D-1 0.00598 0.00086 0.03029 -0.04101 0.02593 109 8D+2 0.00316 0.00704 0.01006 -0.02536 0.00737 110 8D-2 0.00019 0.01708 0.00793 0.00670 -0.01495 111 6 Cu 1S -0.00029 0.00486 -0.00126 -0.00036 -0.00134 112 2S -0.00384 -0.07024 0.04499 0.00931 0.01309 113 3S 0.00483 0.03793 0.00259 -0.01745 0.02226 114 4PX 0.00072 0.00753 0.00389 0.00808 0.00603 115 4PY 0.00042 -0.01319 -0.00463 -0.00109 0.00764 116 4PZ 0.00329 0.00231 -0.00564 -0.01229 -0.00371 117 5PX -0.00151 0.01989 -0.00358 -0.00274 0.01530 118 5PY -0.00045 0.00121 0.01521 0.00135 0.00312 119 5PZ -0.00925 0.00222 0.00453 0.01065 -0.00538 120 6PX -0.00020 0.00815 0.00756 0.00209 0.01317 121 6PY 0.00112 -0.01456 0.00188 0.00468 0.00844 122 6PZ 0.01001 -0.00239 0.00051 0.00691 -0.00323 123 7D 0 0.00230 0.07754 -0.04134 -0.01701 0.04263 124 7D+1 -0.01092 0.00009 -0.02151 0.04779 0.05505 125 7D-1 0.00061 -0.00969 0.00033 0.01125 0.02275 126 7D+2 0.00011 -0.12094 0.04700 -0.01033 0.08076 127 7D-2 0.00075 0.07446 0.04110 -0.02902 -0.01510 128 8D 0 0.00129 0.02640 -0.01368 -0.00561 0.01487 129 8D+1 -0.00489 -0.00093 -0.00708 0.01540 0.01848 130 8D-1 0.00063 -0.00331 0.00044 0.00432 0.00722 131 8D+2 -0.00001 -0.04008 0.01566 -0.00409 0.02771 132 8D-2 0.00054 0.02580 0.01422 -0.01006 -0.00505 133 7 Cu 1S -0.00138 0.00442 0.00607 -0.00022 -0.00611 134 2S -0.01654 -0.04506 -0.02847 0.03299 -0.00126 135 3S -0.00508 -0.00318 -0.00294 0.00510 -0.05170 136 4PX 0.00178 0.00433 0.01410 -0.00921 0.00599 137 4PY 0.00081 0.01103 -0.00931 -0.00448 -0.01666 138 4PZ 0.00402 -0.01156 -0.00775 -0.00806 0.01205 139 5PX -0.00817 0.00882 -0.00783 0.00536 0.00941 140 5PY -0.00297 -0.00238 0.01270 0.00027 -0.00394 141 5PZ -0.00782 0.00768 -0.00017 0.00349 0.00792 142 6PX 0.00921 0.01725 -0.00303 0.00372 -0.01404 143 6PY 0.00630 0.00068 0.02880 -0.00860 0.04165 144 6PZ 0.01422 0.00285 0.00126 0.01155 0.02596 145 7D 0 0.00443 0.05159 0.04157 -0.00238 0.01754 146 7D+1 0.00177 0.03899 0.00374 -0.04555 -0.06438 147 7D-1 -0.00067 0.02976 0.04214 -0.03378 0.08101 148 7D+2 -0.00401 -0.05303 0.03932 0.01637 0.02026 149 7D-2 -0.01039 -0.09310 -0.08302 0.03380 -0.01320 150 8D 0 0.00159 0.01759 0.01404 0.00047 0.00645 151 8D+1 -0.00019 0.01389 0.00131 -0.01691 -0.02108 152 8D-1 -0.00133 0.00995 0.01445 -0.01264 0.02750 153 8D+2 -0.00164 -0.01921 0.01362 0.00564 0.00624 154 8D-2 -0.00329 -0.03069 -0.02842 0.01038 -0.00344 155 8 Cu 1S -0.00450 0.00052 -0.00113 -0.00058 0.00613 156 2S -0.04114 -0.02149 0.05864 0.08549 0.03343 157 3S 0.00368 0.05254 -0.00072 -0.06493 0.12992 158 4PX -0.00091 -0.00571 0.00857 0.00267 0.03441 159 4PY -0.00156 -0.00292 0.00443 0.01830 -0.01305 160 4PZ 0.00154 -0.01098 0.00371 0.00832 -0.03397 161 5PX -0.00272 0.01614 -0.01007 -0.00722 0.00761 162 5PY 0.00362 -0.00502 0.01472 -0.00136 -0.01478 163 5PZ -0.00202 0.00113 0.00409 0.01628 -0.01864 164 6PX 0.01077 0.00353 -0.00099 -0.00752 0.01638 165 6PY -0.00036 -0.00292 0.00125 0.00141 0.01193 166 6PZ -0.00346 -0.01227 -0.00159 0.01654 -0.01953 167 7D 0 -0.01325 -0.07121 0.06537 0.07649 0.02225 168 7D+1 0.02397 0.02878 -0.11010 -0.12907 0.07767 169 7D-1 -0.02500 -0.06618 -0.02996 0.10709 -0.00147 170 7D+2 -0.00113 0.05145 0.03082 0.04546 -0.04846 171 7D-2 0.01387 0.03934 -0.00067 -0.06845 -0.00034 172 8D 0 -0.00112 -0.02470 0.02298 0.02676 0.00759 173 8D+1 0.00504 0.00982 -0.03675 -0.04273 0.02639 174 8D-1 -0.00496 -0.02292 -0.01006 0.03761 -0.00121 175 8D+2 -0.00082 0.01788 0.01011 0.01510 -0.01628 176 8D-2 0.00331 0.01337 -0.00086 -0.02413 0.00063 177 9 C 1S 0.00094 0.00018 -0.00859 -0.00325 0.00833 178 2S -0.00248 -0.00200 0.01078 0.00619 -0.02835 179 3S -0.00166 -0.00212 0.03159 0.01204 -0.02721 180 4PX 0.00032 0.01635 0.01212 -0.00025 -0.01078 181 4PY -0.00136 -0.01192 0.00526 0.00741 -0.01892 182 4PZ -0.00672 -0.00410 -0.01094 0.01294 -0.00090 183 5PX 0.00010 0.00612 0.00330 -0.00267 0.00439 184 5PY 0.00003 0.00564 0.01804 0.00148 -0.00315 185 5PZ -0.00220 -0.00045 -0.00187 0.01100 -0.00105 186 10 O 1S -0.00021 0.00086 0.00525 0.00018 -0.00719 187 2S 0.00076 -0.00112 -0.01262 -0.00133 0.01539 188 3S 0.00026 -0.00495 -0.01302 0.00060 0.01683 189 4PX -0.00025 -0.01801 -0.01825 0.00543 -0.06036 190 4PY 0.00073 0.01408 0.00030 -0.00335 -0.02453 191 4PZ 0.00661 0.00726 0.01000 -0.02092 0.02682 192 5PX 0.00003 -0.01002 -0.01010 0.00278 -0.02790 193 5PY -0.00020 0.00048 -0.00490 0.00038 -0.00960 194 5PZ 0.00378 0.00295 0.00571 -0.01369 0.01194 11 12 13 14 15 11 6PY 0.12056 12 6PZ 0.10023 0.35887 13 7D 0 0.01950 0.00779 1.48100 14 7D+1 -0.03547 -0.01064 0.00199 1.48431 15 7D-1 -0.07557 -0.00953 -0.00499 0.00974 1.48985 16 7D+2 -0.08533 0.13171 -0.00901 0.00232 0.01246 17 7D-2 0.04023 0.00241 -0.01178 -0.00190 -0.00351 18 8D 0 0.00748 0.00140 0.48443 -0.00282 0.00160 19 8D+1 -0.01082 -0.00086 -0.00279 0.48404 0.00019 20 8D-1 -0.02312 -0.00108 0.00149 0.00026 0.48645 21 8D+2 -0.02857 0.04128 -0.00328 -0.00151 0.00275 22 8D-2 0.01380 0.00072 -0.00380 0.00143 -0.00268 23 2 Cu 1S -0.00433 0.00210 -0.00029 -0.00040 0.00018 24 2S 0.00940 -0.06057 -0.04928 -0.00639 0.02524 25 3S 0.00819 -0.11980 -0.15478 -0.00830 0.05931 26 4PX 0.01112 0.00509 0.00682 -0.00122 0.00470 27 4PY -0.00577 0.00533 0.01916 0.00075 -0.00794 28 4PZ -0.00234 0.02224 0.00557 -0.00287 0.00954 29 5PX 0.00071 0.01821 -0.02573 0.01371 -0.02417 30 5PY 0.02213 -0.09872 -0.11808 -0.01496 0.05210 31 5PZ 0.01064 0.05092 -0.02183 0.02527 0.01904 32 6PX 0.01230 0.07220 -0.01592 0.00333 -0.00806 33 6PY 0.02628 -0.00673 0.00146 -0.01106 -0.00012 34 6PZ -0.02197 -0.09088 -0.02106 -0.00729 0.03212 35 7D 0 0.00168 0.03642 -0.01675 0.00174 0.00966 36 7D+1 -0.05142 -0.12459 -0.00256 -0.02262 0.00032 37 7D-1 -0.00923 -0.08193 0.01358 -0.00428 0.04682 38 7D+2 -0.08421 -0.09629 -0.00083 0.00477 0.00258 39 7D-2 0.03150 0.05776 -0.00049 0.01255 -0.00545 40 8D 0 -0.00072 0.01143 -0.00438 0.00087 0.00249 41 8D+1 -0.01756 -0.04002 -0.00055 -0.00678 -0.00099 42 8D-1 -0.00180 -0.02692 0.00292 -0.00010 0.00833 43 8D+2 -0.03021 -0.03190 0.00151 0.00162 0.00003 44 8D-2 0.00873 0.02136 -0.00005 0.00385 -0.00207 45 3 Cu 1S 0.00779 0.02289 -0.00004 -0.00182 -0.00470 46 2S 0.02052 -0.11581 0.03755 -0.06608 -0.00100 47 3S 0.09855 0.15449 0.13410 -0.16604 -0.01277 48 4PX -0.00009 -0.03128 0.01972 0.00670 0.01065 49 4PY 0.02526 0.04158 -0.01878 0.01042 0.00673 50 4PZ 0.04987 0.09403 -0.01142 0.01968 -0.02300 51 5PX -0.01028 -0.00935 -0.06664 -0.00141 -0.02045 52 5PY 0.00632 -0.00683 0.04326 -0.03791 -0.02947 53 5PZ 0.01443 0.02086 0.04630 -0.06157 0.05647 54 6PX 0.01724 0.03127 0.01296 0.02214 -0.03346 55 6PY 0.00460 0.09126 -0.00563 0.00952 -0.00032 56 6PZ 0.02012 0.02600 0.02634 -0.02744 -0.03494 57 7D 0 -0.02935 0.05499 0.02394 0.02910 -0.02900 58 7D+1 -0.06520 -0.04408 0.02317 0.01498 0.03094 59 7D-1 -0.06080 -0.12351 -0.03579 0.02225 0.01675 60 7D+2 -0.03372 0.13060 -0.00851 -0.02922 -0.02251 61 7D-2 -0.05984 -0.07566 0.02467 0.01413 -0.01633 62 8D 0 -0.00967 0.01854 0.00174 0.00904 -0.00769 63 8D+1 -0.02182 -0.01334 0.00337 0.00151 0.00811 64 8D-1 -0.02013 -0.04101 -0.01320 0.00573 -0.00084 65 8D+2 -0.01111 0.04271 -0.00246 -0.00807 -0.00260 66 8D-2 -0.01980 -0.02494 0.00519 0.00104 -0.00239 67 4 Cu 1S -0.00266 -0.00045 0.00415 0.00091 -0.00106 68 2S -0.00018 -0.07116 0.04373 0.05284 0.00833 69 3S -0.05587 -0.00471 0.07272 0.24863 0.13035 70 4PX -0.01883 -0.03913 -0.00489 -0.01536 -0.01380 71 4PY 0.00723 0.00579 -0.00285 -0.01782 0.00728 72 4PZ 0.00441 -0.01586 0.01006 -0.01158 -0.00906 73 5PX -0.00709 -0.02651 0.01051 0.07830 0.03885 74 5PY 0.00752 -0.00005 0.00748 0.05728 -0.01108 75 5PZ -0.00163 0.01034 -0.00428 0.07330 0.05830 76 6PX 0.01501 0.04696 -0.01295 -0.00604 -0.03083 77 6PY 0.00472 -0.00779 0.00847 0.00507 0.00046 78 6PZ -0.03395 -0.05370 0.02088 0.02495 0.05648 79 7D 0 0.07280 0.06615 0.03179 0.01470 0.00543 80 7D+1 -0.06338 -0.12011 0.02436 -0.02761 -0.02096 81 7D-1 0.02110 0.14020 0.01098 -0.02342 0.00766 82 7D+2 0.04748 0.12645 -0.01535 0.01158 -0.03304 83 7D-2 0.01333 0.08288 -0.02625 -0.02406 0.00886 84 8D 0 0.02387 0.02168 0.00535 0.00348 0.00388 85 8D+1 -0.02140 -0.03996 0.00723 -0.00720 -0.00427 86 8D-1 0.00752 0.04733 0.00157 -0.00565 0.00141 87 8D+2 0.01617 0.04230 -0.00394 0.00328 -0.00574 88 8D-2 0.00502 0.02813 -0.00589 -0.00520 0.00084 89 5 Cu 1S 0.00159 0.00209 0.00170 0.00295 0.00148 90 2S 0.06741 0.01218 0.03344 0.04300 -0.03634 91 3S 0.03114 -0.04395 0.15784 0.06544 -0.18737 92 4PX 0.00042 -0.01470 0.00670 -0.01585 -0.00045 93 4PY 0.02306 0.01121 -0.02076 -0.00648 0.01254 94 4PZ -0.01965 -0.01571 0.00302 0.00318 -0.02785 95 5PX -0.01036 -0.00723 -0.03165 0.04365 0.01437 96 5PY 0.01261 -0.00711 0.04870 0.03466 -0.06008 97 5PZ -0.01634 0.01207 -0.04947 -0.00949 0.10771 98 6PX 0.02061 -0.00496 0.01431 -0.03051 0.00232 99 6PY -0.01844 -0.03634 -0.02725 -0.00343 -0.00154 100 6PZ -0.01283 -0.01732 -0.04346 -0.00817 0.00627 101 7D 0 0.01094 -0.01468 0.03764 -0.00828 0.03613 102 7D+1 0.08984 0.15508 -0.00545 0.03203 0.00623 103 7D-1 -0.04251 -0.00288 0.02984 0.00715 -0.03180 104 7D+2 0.02786 0.08257 0.02978 0.01949 0.00794 105 7D-2 0.05550 0.20846 0.01037 -0.03107 -0.00295 106 8D 0 0.00481 -0.00435 0.00851 -0.00373 0.00749 107 8D+1 0.03143 0.05278 0.00146 0.00511 -0.00070 108 8D-1 -0.01459 -0.00078 0.00862 0.00028 -0.01013 109 8D+2 0.00886 0.02643 0.00663 0.00459 0.00174 110 8D-2 0.01826 0.07112 0.00235 -0.00472 0.00151 111 6 Cu 1S -0.00275 0.00355 0.00032 0.00083 -0.00146 112 2S 0.01411 0.03540 -0.03406 0.00546 -0.03212 113 3S -0.00821 0.02743 -0.09390 -0.00790 -0.04219 114 4PX 0.01399 0.04732 0.01671 -0.00093 0.00043 115 4PY -0.00312 -0.01377 -0.00118 -0.00122 0.00082 116 4PZ 0.00702 0.00428 0.00084 0.01495 -0.00981 117 5PX 0.00279 0.00027 -0.06641 0.00546 -0.01054 118 5PY 0.00071 -0.02445 0.00504 0.01322 -0.01317 119 5PZ 0.00762 0.02733 -0.00734 -0.01711 0.03224 120 6PX -0.00584 -0.00433 0.00852 0.00891 0.01368 121 6PY -0.01438 0.00116 0.00458 0.02421 0.02613 122 6PZ 0.00310 -0.01816 0.00579 0.03611 -0.02525 123 7D 0 -0.04850 -0.14644 -0.02713 -0.00115 0.00149 124 7D+1 -0.04560 -0.06043 -0.00266 0.04510 -0.02823 125 7D-1 -0.05190 -0.03649 0.00238 -0.03217 -0.00526 126 7D+2 -0.10924 -0.09688 0.01203 -0.00339 0.00101 127 7D-2 0.03940 -0.05299 -0.00968 0.00171 -0.00323 128 8D 0 -0.01625 -0.05016 -0.00635 0.00008 -0.00027 129 8D+1 -0.01537 -0.01968 -0.00308 0.00789 -0.00503 130 8D-1 -0.01691 -0.01179 0.00057 -0.00855 -0.00220 131 8D+2 -0.03671 -0.03360 0.00249 -0.00001 -0.00126 132 8D-2 0.01367 -0.01887 -0.00200 0.00170 -0.00108 133 7 Cu 1S 0.00243 0.01029 0.00300 -0.00317 0.00211 134 2S 0.05869 0.05629 0.01044 -0.04629 0.00884 135 3S 0.05408 0.10586 -0.05207 -0.14929 -0.07529 136 4PX -0.00960 0.02095 0.00772 0.00656 0.00853 137 4PY 0.02471 0.00958 0.00506 0.00698 0.00749 138 4PZ 0.00162 0.02039 -0.00809 0.00319 0.00094 139 5PX 0.01716 0.01826 -0.03925 -0.03677 -0.02941 140 5PY 0.02270 0.00737 -0.02927 -0.02766 -0.03875 141 5PZ -0.00784 0.00318 0.00610 0.03030 0.03254 142 6PX 0.01219 0.00822 -0.00297 -0.01260 -0.00254 143 6PY -0.04689 -0.06703 0.00220 0.01571 0.01485 144 6PZ -0.03252 -0.06975 0.00290 0.01767 0.03679 145 7D 0 -0.03234 -0.12757 -0.01072 -0.02645 -0.02417 146 7D+1 0.05854 0.10827 -0.03399 0.00383 0.01616 147 7D-1 -0.06716 -0.10476 -0.02455 0.01900 -0.01239 148 7D+2 -0.01590 0.02611 0.00159 -0.00895 0.02048 149 7D-2 0.01708 -0.03175 -0.00505 0.01854 0.01032 150 8D 0 -0.01102 -0.04241 -0.00437 -0.00623 -0.00594 151 8D+1 0.01900 0.03532 -0.00940 0.00102 0.00580 152 8D-1 -0.02355 -0.03749 -0.00564 0.00659 -0.00548 153 8D+2 -0.00446 0.00966 0.00041 -0.00335 0.00545 154 8D-2 0.00464 -0.01270 -0.00374 0.00208 0.00207 155 8 Cu 1S -0.01392 -0.02328 -0.00117 0.00275 0.00126 156 2S 0.03300 0.00688 0.03045 -0.01480 0.06948 157 3S -0.06718 -0.23784 0.05916 -0.05143 0.22807 158 4PX -0.01647 -0.04153 -0.01545 -0.00672 -0.01367 159 4PY 0.03673 0.03842 0.02057 -0.01210 0.00221 160 4PZ 0.02866 0.09174 0.00727 -0.01992 0.01969 161 5PX 0.00704 -0.00317 0.02640 0.01993 0.05046 162 5PY 0.00464 0.02024 -0.05560 0.03541 -0.03640 163 5PZ 0.00711 0.03393 -0.03176 0.05380 -0.06660 164 6PX -0.02876 -0.05091 0.00182 0.01766 -0.00390 165 6PY -0.02902 -0.03666 -0.00757 -0.00121 -0.02123 166 6PZ 0.02111 0.03393 -0.00123 -0.00482 -0.03025 167 7D 0 -0.02507 0.02174 0.02867 0.01952 -0.02335 168 7D+1 -0.09407 -0.18038 0.02597 0.01180 0.02835 169 7D-1 -0.05410 -0.05935 -0.02120 0.03124 0.00182 170 7D+2 0.08280 0.20869 0.01168 -0.02467 -0.02290 171 7D-2 0.02825 0.06792 0.03178 0.01859 -0.00594 172 8D 0 -0.00845 0.00788 0.00290 0.00441 -0.00789 173 8D+1 -0.03100 -0.05988 0.00992 -0.00194 0.00855 174 8D-1 -0.01821 -0.01897 -0.00392 0.00769 -0.00115 175 8D+2 0.02803 0.06991 0.00350 -0.00272 -0.00635 176 8D-2 0.00878 0.02089 0.00735 0.00460 -0.00106 177 9 C 1S 0.00332 -0.00862 -0.00323 -0.00127 0.00284 178 2S 0.00239 0.02303 0.01095 0.00373 -0.00947 179 3S -0.02543 0.03417 -0.01687 0.00128 0.00833 180 4PX 0.04293 0.01570 -0.02738 0.00658 -0.00805 181 4PY -0.05677 0.06326 0.00552 0.00462 -0.01017 182 4PZ -0.01263 -0.01228 0.00553 0.00154 -0.00043 183 5PX 0.00506 -0.00432 -0.00110 0.00537 -0.00819 184 5PY -0.00336 -0.00492 -0.00949 0.00048 0.00448 185 5PZ -0.00055 -0.00261 0.00073 -0.00873 0.00686 186 10 O 1S 0.01841 -0.00744 0.00043 0.00036 -0.00069 187 2S -0.03473 0.01272 -0.00174 -0.00105 0.00231 188 3S -0.05614 0.02169 0.00241 -0.00172 0.00134 189 4PX 0.03059 0.09485 0.02212 -0.00533 0.00764 190 4PY 0.09838 -0.01781 0.00032 -0.00320 0.00680 191 4PZ -0.00317 -0.10483 -0.00220 -0.00212 0.00237 192 5PX 0.01439 0.04031 0.01166 -0.00466 0.00653 193 5PY 0.02611 0.00300 0.00300 -0.00095 0.00124 194 5PZ -0.00341 -0.04385 -0.00134 0.00168 -0.00208 16 17 18 19 20 16 7D+2 1.50409 17 7D-2 -0.00326 1.50839 18 8D 0 -0.00360 -0.00427 0.15874 19 8D+1 -0.00129 0.00151 -0.00205 0.15817 20 8D-1 0.00260 -0.00255 0.00158 -0.00089 0.15909 21 8D+2 0.48223 -0.00162 -0.00129 -0.00120 0.00039 22 8D-2 -0.00121 0.48538 -0.00136 0.00111 -0.00132 23 2 Cu 1S 0.00182 -0.00212 0.00012 -0.00009 0.00000 24 2S -0.04735 -0.02852 -0.01405 -0.00293 0.00944 25 3S -0.28651 -0.07023 -0.05173 -0.00144 0.02122 26 4PX -0.00222 0.00903 0.00198 -0.00038 0.00159 27 4PY 0.02419 0.00439 0.00441 0.00066 -0.00272 28 4PZ 0.00150 0.00478 0.00197 -0.00105 0.00466 29 5PX 0.05562 0.00003 -0.00936 0.00447 -0.00808 30 5PY -0.20183 -0.05899 -0.03876 -0.00474 0.01857 31 5PZ -0.01650 -0.02436 -0.00719 0.00914 0.00722 32 6PX 0.03390 0.00833 -0.00646 0.00145 -0.00260 33 6PY -0.00833 -0.01886 0.00063 -0.00380 0.00019 34 6PZ -0.03322 0.01068 -0.00772 -0.00362 0.01068 35 7D 0 -0.00689 0.00717 -0.00597 0.00120 0.00124 36 7D+1 0.00182 0.00882 -0.00099 -0.00744 -0.00155 37 7D-1 0.01119 -0.00829 0.00387 -0.00180 0.00973 38 7D+2 -0.02594 0.00891 -0.00050 0.00160 -0.00071 39 7D-2 0.00120 0.04996 -0.00169 0.00448 -0.00252 40 8D 0 -0.00201 0.00359 -0.00162 0.00049 0.00019 41 8D+1 0.00122 0.00092 -0.00027 -0.00223 -0.00083 42 8D-1 0.00352 -0.00263 0.00076 -0.00014 0.00084 43 8D+2 -0.00618 0.00047 0.00035 0.00057 -0.00052 44 8D-2 0.00258 0.00680 -0.00058 0.00140 -0.00094 45 3 Cu 1S 0.00282 0.00007 0.00060 -0.00093 -0.00075 46 2S 0.02852 -0.00508 0.01426 -0.02281 0.00117 47 3S 0.06496 -0.04926 0.04646 -0.05655 -0.00182 48 4PX -0.00837 0.00089 0.00466 0.00336 0.00197 49 4PY -0.00718 -0.00310 -0.00317 0.00166 0.00549 50 4PZ -0.00035 0.01250 0.00180 0.00224 -0.00153 51 5PX 0.03300 0.01363 -0.02238 0.00042 -0.00705 52 5PY 0.00517 0.00782 0.01413 -0.01257 -0.00945 53 5PZ 0.02092 -0.04197 0.01632 -0.02077 0.01931 54 6PX -0.02397 0.01003 0.00421 0.00842 -0.01091 55 6PY 0.03764 -0.02666 -0.00269 0.00414 -0.00004 56 6PZ -0.00815 -0.01273 0.00888 -0.00932 -0.01196 57 7D 0 0.00222 0.03210 0.00284 0.00796 -0.00559 58 7D+1 -0.02467 0.01034 0.00405 -0.00032 0.00555 59 7D-1 -0.02796 -0.01008 -0.01051 0.00562 0.00347 60 7D+2 -0.00033 -0.00193 -0.00397 -0.00684 -0.00357 61 7D-2 0.00482 -0.00618 0.00430 0.00106 -0.00453 62 8D 0 0.00272 0.00738 -0.00107 0.00246 -0.00122 63 8D+1 -0.00436 0.00143 -0.00009 -0.00125 0.00107 64 8D-1 -0.00715 -0.00003 -0.00397 0.00134 -0.00097 65 8D+2 -0.00054 -0.00288 -0.00116 -0.00177 0.00044 66 8D-2 0.00355 -0.00058 0.00043 -0.00086 -0.00050 67 4 Cu 1S 0.00015 -0.00202 0.00140 0.00050 -0.00028 68 2S 0.00922 0.01015 0.01622 0.01629 0.00318 69 3S 0.10307 0.09642 0.02526 0.08641 0.04334 70 4PX -0.00186 -0.01272 -0.00294 -0.00218 -0.00331 71 4PY -0.01060 -0.00166 -0.00147 -0.00405 0.00470 72 4PZ -0.00821 -0.01176 0.00379 -0.00151 -0.00124 73 5PX 0.04967 0.05179 0.00370 0.02596 0.01275 74 5PY -0.00005 0.01988 0.00257 0.01922 -0.00367 75 5PZ 0.03659 0.03962 -0.00076 0.02513 0.01971 76 6PX 0.01391 -0.00801 -0.00550 -0.00179 -0.01080 77 6PY -0.00589 0.02033 0.00431 0.00198 0.00025 78 6PZ 0.01218 0.00004 0.00777 0.00830 0.01887 79 7D 0 -0.01651 -0.02627 0.00596 0.00149 0.00204 80 7D+1 0.00820 -0.02561 0.00600 -0.00874 -0.00415 81 7D-1 -0.03405 0.00471 0.00052 -0.00539 0.00225 82 7D+2 0.01554 -0.01602 -0.00463 0.00311 -0.00561 83 7D-2 -0.02237 -0.00523 -0.00568 -0.00414 0.00270 84 8D 0 -0.00386 -0.00541 0.00027 0.00004 0.00136 85 8D+1 0.00424 -0.00476 0.00172 -0.00223 -0.00049 86 8D-1 -0.00945 0.00142 -0.00053 -0.00109 0.00039 87 8D+2 0.00270 -0.00100 -0.00114 0.00081 -0.00009 88 8D-2 -0.00784 -0.00524 -0.00096 -0.00044 0.00020 89 5 Cu 1S 0.00285 -0.00286 0.00085 0.00113 -0.00008 90 2S 0.02493 -0.02266 0.01258 0.01369 -0.00993 91 3S -0.01589 -0.10974 0.05451 0.02298 -0.06230 92 4PX -0.00371 0.00772 0.00282 -0.00575 -0.00082 93 4PY 0.00007 -0.00524 -0.00568 -0.00186 -0.00019 94 4PZ -0.01189 -0.00647 -0.00216 0.00070 -0.00393 95 5PX 0.03120 -0.00828 -0.01079 0.01400 0.00467 96 5PY -0.01619 0.00588 0.01588 0.01159 -0.01964 97 5PZ 0.02486 0.03661 -0.01725 -0.00297 0.03550 98 6PX -0.04013 0.02103 0.00555 -0.01029 0.00113 99 6PY -0.03337 -0.01054 -0.01019 -0.00137 -0.00065 100 6PZ -0.00858 0.01368 -0.01540 -0.00353 0.00158 101 7D 0 0.03364 0.01439 0.00803 -0.00368 0.00751 102 7D+1 0.01007 -0.03242 -0.00057 0.00446 0.00158 103 7D-1 0.00731 0.00120 0.00755 0.00199 -0.00838 104 7D+2 -0.00616 0.00069 0.00518 0.00642 0.00377 105 7D-2 -0.00155 0.00779 0.00336 -0.00385 0.00064 106 8D 0 0.00921 0.00238 0.00137 -0.00156 0.00099 107 8D+1 0.00066 -0.00576 0.00092 -0.00033 -0.00038 108 8D-1 0.00201 0.00123 0.00206 0.00000 -0.00262 109 8D+2 -0.00266 -0.00169 0.00063 0.00149 0.00096 110 8D-2 0.00125 0.00065 0.00075 0.00059 0.00104 111 6 Cu 1S -0.00357 -0.00316 0.00004 0.00048 -0.00064 112 2S -0.00914 -0.04687 -0.01135 0.00124 -0.01046 113 3S 0.06224 -0.23614 -0.03244 -0.00234 -0.01417 114 4PX -0.01512 0.01659 0.00285 0.00002 0.00021 115 4PY 0.01743 0.00077 0.00011 -0.00033 0.00014 116 4PZ 0.00248 -0.00249 0.00074 0.00615 -0.00387 117 5PX 0.06226 -0.08845 -0.02234 0.00152 -0.00338 118 5PY -0.06127 0.04156 0.00170 0.00466 -0.00433 119 5PZ 0.00605 0.01687 -0.00226 -0.00472 0.01091 120 6PX 0.01426 -0.01473 0.00343 0.00327 0.00472 121 6PY 0.03218 0.03632 0.00180 0.00804 0.00832 122 6PZ -0.01125 0.00126 0.00301 0.01288 -0.00878 123 7D 0 0.01275 -0.00573 -0.00581 0.00069 -0.00071 124 7D+1 0.00743 -0.00212 -0.00170 0.00675 -0.00694 125 7D-1 0.00359 0.00011 0.00033 -0.00822 -0.00124 126 7D+2 0.00108 0.03823 0.00133 -0.00100 -0.00050 127 7D-2 0.04602 0.01433 -0.00179 0.00235 -0.00082 128 8D 0 0.00384 0.00042 -0.00096 0.00040 -0.00051 129 8D+1 0.00382 0.00066 -0.00129 -0.00012 -0.00086 130 8D-1 0.00150 0.00034 0.00000 -0.00202 -0.00056 131 8D+2 -0.00224 0.00862 -0.00006 0.00001 -0.00069 132 8D-2 0.00748 0.00333 -0.00014 0.00120 -0.00022 133 7 Cu 1S 0.00124 -0.00107 0.00148 -0.00102 0.00093 134 2S 0.01608 0.00929 0.00518 -0.01672 0.00415 135 3S 0.09234 0.18413 -0.01832 -0.05284 -0.02616 136 4PX -0.00090 -0.01434 0.00150 0.00211 0.00267 137 4PY -0.00925 -0.01129 0.00070 0.00245 0.00178 138 4PZ 0.00090 0.00708 -0.00352 0.00223 0.00116 139 5PX 0.05827 0.07639 -0.01309 -0.01293 -0.00924 140 5PY -0.00535 0.07109 -0.00980 -0.00965 -0.01284 141 5PZ -0.00609 -0.02630 0.00171 0.01122 0.01155 142 6PX -0.00106 0.00751 -0.00104 -0.00418 -0.00047 143 6PY 0.00105 0.01735 0.00058 0.00491 0.00437 144 6PZ -0.02866 -0.00823 0.00105 0.00615 0.01236 145 7D 0 -0.00313 -0.00695 -0.00419 -0.00546 -0.00580 146 7D+1 -0.01146 0.02500 -0.00929 0.00069 0.00551 147 7D-1 0.02494 0.00537 -0.00526 0.00596 -0.00632 148 7D+2 0.03282 -0.01459 0.00052 -0.00271 0.00531 149 7D-2 -0.02058 -0.02857 -0.00419 0.00093 0.00130 150 8D 0 -0.00161 -0.00422 -0.00165 -0.00096 -0.00122 151 8D+1 -0.00517 0.00437 -0.00244 0.00020 0.00200 152 8D-1 0.00734 -0.00058 -0.00092 0.00207 -0.00256 153 8D+2 0.00845 -0.00266 0.00014 -0.00102 0.00132 154 8D-2 -0.00574 -0.00672 -0.00208 -0.00108 -0.00003 155 8 Cu 1S -0.00237 0.00257 0.00012 0.00026 0.00061 156 2S -0.03371 0.02056 0.01058 -0.00571 0.02440 157 3S -0.09769 0.00963 0.02149 -0.01914 0.07664 158 4PX 0.00322 -0.00454 -0.00246 -0.00496 -0.00224 159 4PY 0.01060 -0.00166 0.00520 -0.00208 -0.00097 160 4PZ -0.00428 -0.01390 -0.00269 -0.00155 0.00206 161 5PX 0.00162 0.01652 0.00874 0.00641 0.01700 162 5PY 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-0.00369 182 4PZ 0.01165 -0.01119 0.00178 0.00067 0.00068 183 5PX 0.00526 0.01436 -0.00012 0.00173 -0.00259 184 5PY -0.02701 -0.00491 -0.00301 0.00053 0.00114 185 5PZ -0.00509 -0.00957 0.00035 -0.00289 0.00261 186 10 O 1S 0.00004 0.00126 -0.00025 0.00021 -0.00025 187 2S -0.00057 -0.00330 0.00028 -0.00057 0.00085 188 3S 0.00588 -0.00816 0.00106 -0.00074 0.00064 189 4PX 0.00342 0.00183 0.00701 -0.00179 0.00231 190 4PY -0.00057 -0.00926 0.00168 -0.00099 0.00163 191 4PZ -0.00821 0.00989 -0.00067 -0.00091 0.00028 192 5PX 0.00036 -0.00419 0.00373 -0.00156 0.00199 193 5PY 0.00785 -0.00318 0.00124 -0.00033 0.00032 194 5PZ -0.00292 0.00769 -0.00051 0.00047 -0.00110 21 22 23 24 25 21 8D+2 0.15480 22 8D-2 -0.00057 0.15643 23 2 Cu 1S 0.00065 -0.00057 1.99605 24 2S -0.01327 -0.00982 -0.00157 0.28740 25 3S -0.09605 -0.02368 0.03423 0.07365 0.66707 26 4PX -0.00188 0.00395 0.00165 0.00798 -0.00398 27 4PY 0.00426 0.00181 -0.00243 -0.00869 0.00389 28 4PZ 0.00006 0.00143 -0.00058 -0.00511 -0.01538 29 5PX 0.01784 -0.00005 -0.01017 -0.04540 -0.13478 30 5PY -0.06619 -0.01872 0.02840 0.09466 0.35422 31 5PZ -0.00490 -0.00796 0.00566 0.03040 0.07605 32 6PX 0.01119 0.00177 -0.00070 0.00773 -0.03302 33 6PY -0.00274 -0.00615 -0.00213 -0.01635 0.04680 34 6PZ -0.01118 0.00287 -0.00328 0.00728 0.04407 35 7D 0 -0.00210 0.00331 -0.00018 0.02804 -0.09578 36 7D+1 0.00056 0.00168 -0.00009 0.01547 0.07444 37 7D-1 0.00318 -0.00353 0.00021 -0.02543 0.01967 38 7D+2 -0.00813 -0.00030 -0.00219 0.06615 0.07726 39 7D-2 -0.00038 0.00924 -0.00105 0.04292 0.06811 40 8D 0 -0.00070 0.00150 0.00127 0.00900 -0.02727 41 8D+1 0.00038 -0.00009 0.00028 0.00431 0.02386 42 8D-1 0.00106 -0.00114 -0.00100 -0.00859 0.00257 43 8D+2 -0.00203 -0.00090 0.00113 0.01801 0.02635 44 8D-2 0.00050 -0.00009 0.00072 0.01103 0.02194 45 3 Cu 1S 0.00079 0.00002 -0.00182 -0.00647 -0.00664 46 2S 0.00839 -0.00125 -0.00435 0.09723 -0.01290 47 3S 0.02065 -0.01552 -0.00437 0.01805 -0.15047 48 4PX -0.00271 0.00063 0.00148 0.01158 -0.00017 49 4PY -0.00307 -0.00171 -0.00074 0.00750 0.03461 50 4PZ -0.00075 0.00225 -0.00103 -0.01632 -0.03207 51 5PX 0.01092 0.00452 0.00033 -0.01257 0.01273 52 5PY 0.00130 0.00227 0.00270 -0.02054 0.02329 53 5PZ 0.00708 -0.01346 -0.00256 0.02271 -0.02417 54 6PX -0.00830 0.00365 -0.00181 -0.02368 -0.01556 55 6PY 0.01213 -0.00911 0.00231 -0.01061 -0.01605 56 6PZ -0.00233 -0.00421 -0.00175 0.00123 -0.03202 57 7D 0 -0.00136 0.00726 -0.00123 0.00580 0.11144 58 7D+1 -0.00461 -0.00076 0.00115 -0.00977 -0.09767 59 7D-1 -0.00690 -0.00042 -0.00158 -0.04910 -0.28377 60 7D+2 -0.00022 -0.00179 -0.00152 -0.03230 -0.08318 61 7D-2 0.00287 -0.00054 0.00061 0.01431 0.02895 62 8D 0 0.00019 0.00136 -0.00072 0.00206 0.03627 63 8D+1 -0.00026 -0.00096 0.00046 -0.00358 -0.03220 64 8D-1 -0.00160 0.00095 -0.00065 -0.01643 -0.09450 65 8D+2 -0.00023 -0.00133 -0.00077 -0.01029 -0.02822 66 8D-2 0.00159 0.00036 0.00024 0.00493 0.00976 67 4 Cu 1S 0.00013 -0.00072 -0.00285 -0.00760 -0.00825 68 2S 0.00213 0.00293 -0.00495 0.09155 0.00277 69 3S 0.03292 0.03092 -0.00705 -0.02410 -0.13706 70 4PX 0.00160 -0.00221 -0.00152 -0.01868 -0.02521 71 4PY -0.00350 0.00141 0.00167 0.01765 0.01574 72 4PZ -0.00233 -0.00272 -0.00074 -0.01069 -0.02543 73 5PX 0.01640 0.01708 -0.00416 0.01937 -0.03435 74 5PY -0.00102 0.00696 0.00313 -0.03595 0.01261 75 5PZ 0.01148 0.01280 -0.00274 0.00675 -0.01703 76 6PX 0.00451 -0.00345 -0.00375 -0.02497 -0.05129 77 6PY -0.00209 0.00736 0.00355 0.00788 0.02751 78 6PZ 0.00413 -0.00003 0.00139 0.00462 0.00440 79 7D 0 -0.00453 -0.00655 -0.00092 -0.01883 -0.10249 80 7D+1 0.00338 -0.00399 -0.00149 0.02489 0.14648 81 7D-1 -0.00947 0.00292 0.00095 -0.01246 -0.13348 82 7D+2 0.00142 -0.00067 -0.00174 -0.01841 -0.06053 83 7D-2 -0.00737 -0.00379 -0.00109 -0.04378 -0.23828 84 8D 0 -0.00097 -0.00109 -0.00038 -0.00550 -0.03465 85 8D+1 0.00160 -0.00007 -0.00083 0.00756 0.04819 86 8D-1 -0.00254 0.00097 0.00046 -0.00274 -0.04442 87 8D+2 -0.00033 0.00120 -0.00066 -0.00618 -0.02037 88 8D-2 -0.00258 -0.00241 -0.00012 -0.01382 -0.07735 89 5 Cu 1S 0.00086 -0.00103 -0.00257 -0.00552 -0.00610 90 2S 0.00915 -0.00716 -0.00315 0.13357 0.04616 91 3S -0.00484 -0.03674 -0.00735 0.05704 -0.12824 92 4PX -0.00137 0.00279 0.00038 0.00529 -0.00191 93 4PY -0.00229 -0.00200 0.00130 0.01384 0.01303 94 4PZ -0.00204 -0.00193 0.00169 0.02101 0.03966 95 5PX 0.01031 -0.00197 -0.00008 -0.00088 0.00368 96 5PY -0.00593 0.00200 0.00110 -0.03583 0.00068 97 5PZ 0.00758 0.01170 0.00445 -0.03124 0.03460 98 6PX -0.01274 0.00767 -0.00174 0.00098 0.00818 99 6PY -0.01108 -0.00452 0.00073 0.01818 0.05173 100 6PZ -0.00282 0.00423 0.00283 0.01409 0.06419 101 7D 0 0.00794 0.00378 -0.00153 0.03071 0.23264 102 7D+1 0.00346 -0.00472 -0.00130 -0.00637 -0.03290 103 7D-1 0.00251 -0.00026 0.00146 0.04109 0.20724 104 7D+2 -0.00194 -0.00201 -0.00129 -0.02418 -0.06295 105 7D-2 0.00001 -0.00002 -0.00016 -0.00930 -0.06820 106 8D 0 0.00204 0.00050 -0.00073 0.01038 0.07744 107 8D+1 0.00032 0.00010 -0.00045 -0.00126 -0.01083 108 8D-1 0.00068 0.00016 0.00074 0.01237 0.06837 109 8D+2 -0.00083 -0.00134 -0.00055 -0.00796 -0.02036 110 8D-2 0.00054 -0.00060 0.00003 -0.00349 -0.02214 111 6 Cu 1S -0.00124 -0.00101 0.00147 0.00000 -0.00048 112 2S -0.00542 -0.01620 0.00106 -0.08799 -0.01979 113 3S 0.01995 -0.07971 0.00394 0.02319 0.07535 114 4PX -0.00024 0.00350 0.00140 0.00494 0.01240 115 4PY 0.00576 0.00130 -0.00192 0.00536 -0.01252 116 4PZ 0.00032 -0.00031 0.00031 0.00666 -0.00881 117 5PX 0.01997 -0.02913 0.00091 -0.00244 -0.00716 118 5PY -0.01997 0.01435 -0.00094 -0.02216 0.00591 119 5PZ 0.00178 0.00552 0.00040 -0.01728 -0.00774 120 6PX 0.00424 -0.00492 0.00287 0.01938 0.03702 121 6PY 0.01059 0.01231 0.00055 -0.01987 -0.04281 122 6PZ -0.00331 0.00097 0.00121 0.01274 0.01301 123 7D 0 0.00308 -0.00003 0.00146 0.01327 0.05476 124 7D+1 0.00361 0.00173 0.00088 0.01438 -0.02413 125 7D-1 0.00232 0.00035 -0.00054 0.00535 -0.02852 126 7D+2 0.00213 0.00757 0.00067 0.01318 0.02139 127 7D-2 0.00856 0.00042 0.00198 0.01796 0.13597 128 8D 0 0.00089 0.00077 0.00030 0.00551 0.02059 129 8D+1 0.00162 0.00101 0.00032 0.00383 -0.00884 130 8D-1 0.00085 0.00021 -0.00016 0.00108 -0.01051 131 8D+2 -0.00011 0.00120 0.00013 0.00511 0.00918 132 8D-2 0.00032 -0.00030 0.00030 0.00857 0.04940 133 7 Cu 1S 0.00050 -0.00107 -0.00331 -0.00739 -0.00684 134 2S 0.00568 0.00241 -0.00386 0.11855 0.04219 135 3S 0.03173 0.06082 -0.00980 -0.01952 -0.21706 136 4PX 0.00102 -0.00406 -0.00174 -0.02388 -0.03784 137 4PY -0.00450 -0.00259 0.00209 0.01802 -0.00538 138 4PZ 0.00042 0.00251 0.00078 0.00925 0.02337 139 5PX 0.02008 0.02531 -0.00454 0.02635 -0.05196 140 5PY -0.00267 0.02376 0.00145 -0.03789 0.00430 141 5PZ -0.00189 -0.00835 0.00289 -0.00572 0.02681 142 6PX 0.00007 0.00269 -0.00229 -0.00894 -0.03606 143 6PY -0.00014 0.00580 0.00205 -0.02119 0.01072 144 6PZ -0.00895 -0.00245 0.00118 0.00940 0.05010 145 7D 0 -0.00155 -0.00510 -0.00076 -0.02978 -0.08400 146 7D+1 -0.00515 0.00417 0.00125 -0.04509 -0.21682 147 7D-1 0.00806 -0.00081 -0.00016 0.02988 0.16975 148 7D+2 0.00814 -0.00275 -0.00285 -0.00832 0.03700 149 7D-2 -0.00506 -0.00570 -0.00071 -0.04075 -0.21668 150 8D 0 -0.00069 -0.00235 -0.00022 -0.00942 -0.02662 151 8D+1 -0.00217 0.00010 0.00041 -0.01391 -0.07176 152 8D-1 0.00234 -0.00107 0.00005 0.00796 0.05596 153 8D+2 0.00191 -0.00021 -0.00086 -0.00343 0.01299 154 8D-2 -0.00126 -0.00095 -0.00040 -0.01241 -0.07144 155 8 Cu 1S -0.00068 0.00072 0.00100 -0.00074 -0.00289 156 2S -0.01271 0.00656 0.00072 -0.08085 -0.00355 157 3S -0.03250 0.00311 -0.00075 0.02113 0.12881 158 4PX 0.00136 -0.00342 -0.00012 -0.00645 0.01147 159 4PY 0.00347 0.00011 -0.00131 0.00681 0.00008 160 4PZ -0.00177 -0.00204 -0.00151 -0.00762 0.00717 161 5PX 0.00081 0.00545 -0.00028 0.01906 -0.00381 162 5PY -0.01015 0.00745 -0.00092 -0.02709 -0.01796 163 5PZ 0.00959 0.01265 0.00081 0.00931 0.00230 164 6PX -0.00029 -0.00509 0.00089 -0.00281 0.00481 165 6PY 0.00398 -0.00397 0.00038 -0.01045 -0.01533 166 6PZ 0.00464 0.00136 -0.00206 -0.02020 -0.05358 167 7D 0 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0.00873 -0.02751 -0.00656 -0.01534 0.03901 178 2S -0.01929 0.06217 0.01429 0.04623 -0.12392 179 3S -0.03277 0.08934 0.02354 0.03551 -0.09724 180 4PX -0.01098 -0.01973 -0.00003 0.03382 0.03549 181 4PY -0.02619 0.06689 0.02027 0.06778 -0.14400 182 4PZ 0.00052 0.01349 -0.01416 -0.00748 -0.02216 183 5PX -0.01409 -0.00178 0.00126 0.01440 0.00182 184 5PY -0.00533 -0.00340 0.00404 -0.00053 0.00898 185 5PZ 0.00072 0.00227 -0.01838 -0.00920 0.00684 186 10 O 1S -0.00185 0.00622 0.00142 -0.00346 0.00686 187 2S 0.00469 -0.01541 -0.00367 0.00466 -0.00627 188 3S 0.00665 -0.02348 -0.00475 0.00884 -0.01862 189 4PX -0.00231 0.00460 -0.00270 -0.03026 -0.03163 190 4PY 0.01277 -0.03788 -0.01065 -0.04266 0.07758 191 4PZ -0.00353 -0.00178 -0.00046 0.00732 0.01648 192 5PX 0.00565 0.00094 -0.00228 -0.02207 -0.01214 193 5PY 0.00507 -0.00741 -0.00400 -0.01343 0.01479 194 5PZ -0.00229 -0.00031 0.00782 0.00746 0.00342 31 32 33 34 35 31 5PZ 0.13245 32 6PX 0.00943 0.04333 33 6PY 0.01622 -0.00113 0.04308 34 6PZ 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8D+2 0.00314 -0.00984 -0.01876 -0.00141 0.00089 154 8D-2 -0.03168 0.00287 -0.00015 0.00032 0.00407 155 8 Cu 1S -0.00137 -0.00443 -0.00175 0.00509 0.00024 156 2S -0.01016 -0.02616 -0.00939 0.01048 0.01233 157 3S -0.02004 -0.06557 0.02009 0.07066 -0.04738 158 4PX -0.00329 -0.00650 -0.00272 0.01506 0.00402 159 4PY 0.01156 0.00196 -0.00049 -0.00581 -0.00259 160 4PZ -0.00541 0.01527 0.00304 -0.01361 0.00194 161 5PX 0.01103 -0.00470 0.00278 0.00215 -0.01103 162 5PY -0.01843 0.00694 -0.01337 0.00424 0.00824 163 5PZ 0.02110 0.01002 -0.00280 -0.01680 0.00212 164 6PX -0.00472 -0.01286 0.00234 -0.00829 -0.00720 165 6PY -0.01237 -0.00237 -0.01232 0.02041 0.01167 166 6PZ -0.00328 0.00003 0.00752 -0.02231 -0.00577 167 7D 0 0.02884 0.02627 -0.00932 0.03696 0.00382 168 7D+1 -0.01035 -0.00022 0.01325 0.01484 -0.00668 169 7D-1 -0.02473 -0.03721 -0.00617 -0.03279 0.00775 170 7D+2 0.03001 0.01826 0.00641 -0.08924 0.00066 171 7D-2 -0.00229 0.03011 0.01709 -0.01047 -0.00434 172 8D 0 0.00967 0.00900 -0.00356 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95 5PX 0.03053 -0.00502 0.01869 0.00841 -0.00639 96 5PY -0.01718 0.00588 0.00362 -0.00282 -0.01973 97 5PZ -0.02070 -0.06221 0.01177 -0.01299 -0.02346 98 6PX -0.01389 -0.02380 -0.00856 -0.01309 -0.00912 99 6PY 0.00443 0.05871 0.03449 0.03246 0.01064 100 6PZ -0.00508 0.04364 0.01452 0.01789 -0.00432 101 7D 0 -0.01070 -0.03804 0.02205 -0.00096 0.00120 102 7D+1 0.03545 -0.01111 0.00903 0.02324 0.00072 103 7D-1 -0.00796 0.01128 -0.02168 -0.00198 -0.00580 104 7D+2 0.01767 -0.01678 -0.00091 0.00593 -0.00038 105 7D-2 0.02360 -0.00351 0.00298 -0.00327 0.00072 106 8D 0 -0.00235 -0.00904 0.00544 0.00092 -0.00038 107 8D+1 0.00563 -0.00315 0.00057 0.00373 0.00105 108 8D-1 -0.00101 -0.00015 -0.00490 -0.00092 -0.00052 109 8D+2 0.00631 -0.00230 -0.00004 0.00297 -0.00121 110 8D-2 0.00313 -0.00216 -0.00008 -0.00147 0.00069 111 6 Cu 1S 0.00024 -0.00059 0.00079 0.00365 0.00099 112 2S 0.00191 -0.01542 0.01600 0.03312 0.01063 113 3S 0.00190 -0.00551 0.04114 0.06694 0.00840 114 4PX -0.00021 0.00077 -0.00044 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0.00039 134 2S -0.05626 0.01375 0.02110 -0.01939 -0.00577 135 3S -0.19767 0.03708 0.10440 -0.03865 -0.02327 136 4PX 0.01525 -0.01184 -0.00210 0.01588 -0.00013 137 4PY -0.01214 0.00073 0.01171 -0.00106 -0.00028 138 4PZ -0.00165 0.00457 0.00765 -0.01032 -0.00384 139 5PX -0.06891 0.02472 0.04179 -0.04297 -0.00566 140 5PY 0.03719 0.00869 -0.03700 -0.01676 0.00318 141 5PZ 0.02592 -0.02262 -0.03259 0.01842 0.00697 142 6PX -0.01109 -0.03173 0.00116 0.01476 -0.00731 143 6PY -0.01896 0.02171 0.05655 -0.05303 0.00959 144 6PZ 0.04548 -0.02278 0.02223 -0.02661 -0.00858 145 7D 0 -0.02531 0.00843 -0.00944 0.01816 0.00199 146 7D+1 -0.00422 0.00193 0.00155 -0.02340 -0.00698 147 7D-1 0.00123 0.00017 -0.03080 -0.01087 -0.00202 148 7D+2 0.00516 -0.03369 0.02349 0.03046 0.00175 149 7D-2 -0.02464 -0.01086 0.02940 0.00922 0.00277 150 8D 0 -0.00503 0.00249 -0.00137 0.00399 -0.00049 151 8D+1 -0.00247 0.00097 0.00049 -0.00694 -0.00142 152 8D-1 0.00223 -0.00154 -0.00639 -0.00020 -0.00147 153 8D+2 0.00115 -0.00858 0.00437 0.00726 0.00111 154 8D-2 -0.00648 -0.00126 0.00870 -0.00127 0.00018 155 8 Cu 1S 0.00071 -0.00331 0.00126 0.00088 0.00008 156 2S 0.01067 -0.03396 0.02948 0.01789 0.00400 157 3S 0.08995 -0.01847 0.03312 0.00941 -0.01573 158 4PX -0.00040 -0.00258 0.00065 0.00233 0.00113 159 4PY -0.00111 0.00237 -0.00425 -0.00184 -0.00102 160 4PZ 0.00123 0.00108 0.00082 0.00095 0.00074 161 5PX -0.00383 0.00312 -0.00091 -0.00791 -0.00297 162 5PY -0.00891 0.00683 0.00765 -0.00495 0.00310 163 5PZ -0.01142 -0.00185 0.00422 -0.01150 0.00110 164 6PX 0.03005 -0.02018 0.02140 -0.02969 -0.00221 165 6PY 0.00500 0.03077 0.02734 0.01015 0.00429 166 6PZ -0.00814 -0.02232 -0.01693 -0.00884 -0.00267 167 7D 0 -0.00425 0.00364 0.00079 0.00265 0.00176 168 7D+1 0.00243 0.00790 -0.00495 -0.00044 -0.00114 169 7D-1 -0.00077 -0.01118 0.00810 0.00706 0.00154 170 7D+2 -0.00765 0.00748 -0.00591 -0.00821 0.00064 171 7D-2 0.00596 0.00719 -0.00287 0.00229 -0.00150 172 8D 0 -0.00091 0.00236 0.00029 0.00146 0.00083 173 8D+1 0.00142 0.00252 -0.00197 -0.00006 -0.00018 174 8D-1 0.00049 -0.00551 0.00453 0.00367 0.00061 175 8D+2 -0.00331 0.00442 -0.00279 -0.00341 0.00044 176 8D-2 0.00191 0.00302 -0.00139 0.00123 -0.00076 177 9 C 1S 0.00006 0.00040 0.00278 0.00073 0.00318 178 2S 0.00061 -0.00022 -0.00418 0.00172 -0.00914 179 3S 0.01224 -0.06437 0.08875 0.05515 0.02330 180 4PX -0.02477 -0.02339 0.10882 -0.12351 -0.00120 181 4PY -0.01587 0.02926 0.00168 -0.04198 0.00716 182 4PZ 0.03920 -0.13963 -0.04988 -0.02616 -0.01968 183 5PX -0.01689 -0.00806 0.03401 -0.06898 0.00049 184 5PY -0.00151 0.00534 0.03029 -0.01241 0.00526 185 5PZ 0.01997 -0.07344 -0.01255 -0.00631 -0.00802 186 10 O 1S 0.00117 -0.00386 0.00552 0.00464 0.00455 187 2S -0.00330 0.00922 -0.01351 -0.01146 -0.00990 188 3S -0.00775 0.03478 -0.04936 -0.03976 -0.01221 189 4PX 0.02527 0.01508 -0.08689 0.12331 0.00260 190 4PY 0.00574 -0.00055 -0.04277 0.00575 -0.01997 191 4PZ -0.03804 0.13466 0.03664 0.01799 0.02145 192 5PX 0.01906 0.00893 -0.05567 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5PX 0.00181 -0.01198 0.00627 0.01103 -0.00359 184 5PY -0.00050 0.00708 -0.00299 -0.01288 0.00979 185 5PZ -0.00115 0.00921 -0.00408 0.00240 0.01029 186 10 O 1S 0.00923 -0.00018 -0.00054 0.00048 -0.00069 187 2S -0.01882 0.00076 0.00107 -0.00091 0.00167 188 3S -0.02962 0.00005 0.00451 -0.00456 0.00459 189 4PX -0.00996 0.00388 -0.00805 -0.00601 0.00194 190 4PY 0.04394 0.00385 0.00131 -0.00445 0.00644 191 4PZ -0.02650 -0.01235 0.00171 -0.00047 -0.00909 192 5PX -0.00328 0.00555 -0.00599 -0.00541 0.00138 193 5PY 0.01128 0.00065 0.00106 -0.00019 0.00208 194 5PZ -0.01187 -0.00915 0.00239 -0.00106 -0.00701 171 172 173 174 175 171 7D-2 1.50184 172 8D 0 0.00122 0.16562 173 8D+1 -0.00009 0.00112 0.16376 174 8D-1 -0.00113 0.00003 -0.00002 0.16517 175 8D+2 -0.00038 -0.00149 0.00043 -0.00033 0.16369 176 8D-2 0.49434 0.00058 0.00038 -0.00057 -0.00036 177 9 C 1S 0.00084 -0.00015 0.00088 -0.00091 0.00102 178 2S -0.00175 -0.00069 -0.00164 0.00287 -0.00339 179 3S -0.00564 0.00812 -0.00898 -0.00321 0.00187 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4PZ 0.00085 -0.00718 0.00899 0.04466 -0.02026 183 5PX 0.00084 0.01189 -0.02127 -0.01774 0.06372 184 5PY 0.00004 -0.04757 0.09037 0.07648 0.01484 185 5PZ 0.00156 -0.00664 0.01044 0.01089 -0.00170 186 10 O 1S -0.00019 0.01223 -0.01156 0.04104 -0.01555 187 2S 0.00048 -0.01981 0.01102 -0.09533 0.03796 188 3S 0.00065 0.01741 -0.09346 -0.10185 -0.00609 189 4PX -0.00230 0.02366 -0.06042 -0.00820 0.42136 190 4PY 0.00031 -0.10629 0.27373 0.00147 0.21614 191 4PZ -0.00086 -0.01615 0.04111 0.00698 0.04152 192 5PX -0.00159 0.00294 -0.00813 -0.00236 0.15653 193 5PY 0.00004 -0.01599 0.04058 -0.00056 0.05102 194 5PZ -0.00083 -0.00231 0.00652 0.00180 0.01408 181 182 183 184 185 181 4PY 0.67343 182 4PZ 0.04512 0.36129 183 5PX 0.01502 -0.00241 0.01789 184 5PY 0.00109 -0.00897 -0.00150 0.02708 185 5PZ -0.01083 0.06020 -0.00237 0.00146 0.01585 186 10 O 1S 0.07042 0.01044 0.00176 -0.00544 -0.00103 187 2S -0.17403 -0.02534 -0.00134 0.00043 0.00082 188 3S 0.02573 0.00434 0.00433 -0.02155 -0.00239 189 4PX 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0.00029 0.00000 -0.00003 88 8D-2 0.00001 0.00099 0.00154 -0.00003 0.00000 89 5 Cu 1S 0.00000 -0.00036 -0.00023 0.00000 0.00000 90 2S -0.00035 0.02963 -0.05556 -0.00002 -0.00052 91 3S -0.00065 0.01056 -0.09704 0.00001 -0.00030 92 4PX 0.00000 0.00000 0.00002 0.00000 0.00000 93 4PY 0.00000 -0.00032 -0.00024 0.00000 0.00000 94 4PZ 0.00000 -0.00041 -0.00116 0.00000 0.00000 95 5PX 0.00000 -0.00046 -0.00058 -0.00016 0.00000 96 5PY -0.00017 0.00957 -0.00375 0.00001 0.00001 97 5PZ -0.00030 0.00888 -0.01031 0.00002 -0.00030 98 6PX -0.00001 -0.00025 0.00015 0.00014 -0.00001 99 6PY -0.00006 -0.00079 -0.01239 0.00000 -0.00002 100 6PZ -0.00008 -0.00237 -0.01305 0.00001 0.00001 101 7D 0 0.00000 0.00018 0.00026 0.00000 0.00000 102 7D+1 0.00000 0.00001 0.00000 0.00000 0.00000 103 7D-1 0.00000 0.00062 0.00081 0.00000 0.00000 104 7D+2 0.00000 0.00007 0.00004 0.00000 0.00000 105 7D-2 0.00000 -0.00001 0.00001 0.00000 0.00000 106 8D 0 0.00001 0.00080 0.00130 0.00000 -0.00008 107 8D+1 0.00000 0.00003 0.00000 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0.00000 0.00000 0.00000 0.00001 187 2S 0.00000 0.00000 0.00000 -0.00001 -0.00009 188 3S 0.00000 0.00000 0.00000 -0.00003 -0.00041 189 4PX 0.00000 0.00000 0.00000 -0.00001 -0.00001 190 4PY 0.00000 0.00000 0.00000 0.00001 0.00017 191 4PZ 0.00000 0.00000 0.00000 -0.00001 -0.00006 192 5PX 0.00000 0.00000 0.00000 -0.00002 -0.00003 193 5PY 0.00000 0.00000 0.00000 0.00002 0.00031 194 5PZ 0.00000 0.00000 0.00000 -0.00004 -0.00020 166 167 168 169 170 166 6PZ 0.02536 167 7D 0 0.00000 1.49440 168 7D+1 0.00000 0.00000 1.48937 169 7D-1 0.00000 0.00000 0.00000 1.49647 170 7D+2 0.00000 0.00000 0.00000 0.00000 1.50732 171 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 172 8D 0 0.00000 0.14804 0.00000 0.00000 0.00000 173 8D+1 0.00000 0.00000 0.14702 0.00000 0.00000 174 8D-1 0.00000 0.00000 0.00000 0.14793 0.00000 175 8D+2 0.00000 0.00000 0.00000 0.00000 0.14783 176 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 177 9 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 178 2S -0.00044 0.00000 0.00000 0.00000 0.00000 179 3S -0.00016 0.00000 0.00000 0.00000 0.00000 180 4PX 0.00002 0.00000 0.00000 0.00000 0.00000 181 4PY 0.00019 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00002 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00003 0.00000 0.00000 0.00000 0.00000 184 5PY 0.00004 0.00000 0.00000 0.00000 0.00000 185 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 10 O 1S -0.00001 0.00000 0.00000 0.00000 0.00000 187 2S 0.00007 0.00000 0.00000 0.00000 0.00000 188 3S 0.00029 0.00000 0.00000 0.00000 0.00000 189 4PX -0.00001 0.00000 0.00000 0.00000 0.00000 190 4PY -0.00009 0.00000 0.00000 0.00000 0.00000 191 4PZ 0.00001 0.00000 0.00000 0.00000 0.00000 192 5PX -0.00001 0.00000 0.00000 0.00000 0.00000 193 5PY -0.00016 0.00000 0.00000 0.00000 0.00000 194 5PZ 0.00002 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 7D-2 1.50184 172 8D 0 0.00000 0.16562 173 8D+1 0.00000 0.00000 0.16376 174 8D-1 0.00000 0.00000 0.00000 0.16517 175 8D+2 0.00000 0.00000 0.00000 0.00000 0.16369 176 8D-2 0.14722 0.00000 0.00000 0.00000 0.00000 177 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 184 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 185 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3S 0.00000 0.00000 0.00000 0.00000 0.00000 189 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 190 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 8D-2 0.16293 177 9 C 1S 0.00000 2.09439 178 2S 0.00000 -0.04980 0.51075 179 3S 0.00000 -0.03629 0.31331 0.43486 180 4PX 0.00000 0.00000 0.00000 0.00000 0.37275 181 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00000 0.00000 0.00000 0.00000 0.03433 184 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 185 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 -0.00034 0.00234 -0.00023 187 2S 0.00000 -0.00028 0.00227 -0.02975 0.00298 188 3S 0.00000 0.00130 -0.03741 -0.05832 -0.00056 189 4PX 0.00000 -0.00025 0.00355 0.00031 0.05929 190 4PY 0.00000 -0.00505 0.07322 0.00025 0.02089 191 4PZ 0.00000 -0.00011 0.00163 0.00018 0.00060 192 5PX 0.00000 -0.00010 0.00106 0.00027 0.05632 193 5PY 0.00000 -0.00252 0.02399 -0.00029 0.00565 194 5PZ 0.00000 -0.00005 0.00057 0.00014 0.00023 181 182 183 184 185 181 4PY 0.67343 182 4PZ 0.00000 0.36129 183 5PX 0.00000 0.00000 0.01789 184 5PY 0.00059 0.00000 0.00000 0.02708 185 5PZ 0.00000 0.03243 0.00000 0.00000 0.01585 186 10 O 1S -0.00483 -0.00011 0.00003 0.00043 0.00001 187 2S 0.06221 0.00134 -0.00012 -0.00017 -0.00005 188 3S -0.01079 -0.00027 0.00057 0.01283 0.00021 189 4PX 0.02080 0.00059 0.01087 -0.00019 0.00002 190 4PY 0.14465 0.00943 -0.00011 0.00104 -0.00004 191 4PZ 0.00938 0.06847 0.00003 -0.00013 0.01058 192 5PX 0.00574 0.00023 0.01062 0.00001 0.00004 193 5PY 0.00818 0.00254 0.00013 0.00192 0.00005 194 5PZ 0.00258 0.06157 0.00005 -0.00003 0.01065 186 187 188 189 190 186 10 O 1S 2.11861 187 2S -0.07079 0.60521 188 3S -0.04539 0.41313 0.53837 189 4PX 0.00000 0.00000 0.00000 0.84046 190 4PY 0.00000 0.00000 0.00000 0.00000 0.85521 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.16316 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.08603 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 191 4PZ 0.83917 192 5PX 0.00000 0.12858 193 5PY 0.00000 0.00000 0.04545 194 5PZ 0.16507 0.00000 0.00000 0.13042 Gross orbital populations: 1 1 1 Cu 1S 2.00247 2 2S 0.61919 3 3S -0.32216 4 4PX 1.99479 5 4PY 1.99495 6 4PZ 1.99509 7 5PX 0.20594 8 5PY 0.16876 9 5PZ 0.28576 10 6PX 0.01694 11 6PY -0.01237 12 6PZ 0.16135 13 7D 0 1.62966 14 7D+1 1.63281 15 7D-1 1.63851 16 7D+2 1.65132 17 7D-2 1.65587 18 8D 0 0.31917 19 8D+1 0.31958 20 8D-1 0.31751 21 8D+2 0.30928 22 8D-2 0.31186 23 2 Cu 1S 1.99779 24 2S 0.61954 25 3S -0.04577 26 4PX 1.99539 27 4PY 1.99614 28 4PZ 1.99511 29 5PX 0.23359 30 5PY 0.32487 31 5PZ 0.27207 32 6PX -0.02791 33 6PY 0.07086 34 6PZ -0.07442 35 7D 0 1.65217 36 7D+1 1.66376 37 7D-1 1.61300 38 7D+2 1.62082 39 7D-2 1.62255 40 8D 0 0.30456 41 8D+1 0.30329 42 8D-1 0.31174 43 8D+2 0.30630 44 8D-2 0.30873 45 3 Cu 1S 2.00506 46 2S 0.70736 47 3S 0.25021 48 4PX 1.99474 49 4PY 1.99464 50 4PZ 1.99426 51 5PX 0.07290 52 5PY 0.04313 53 5PZ 0.05141 54 6PX 0.02819 55 6PY -0.03327 56 6PZ 0.00586 57 7D 0 1.64551 58 7D+1 1.65201 59 7D-1 1.64002 60 7D+2 1.65112 61 7D-2 1.65603 62 8D 0 0.32467 63 8D+1 0.32487 64 8D-1 0.32433 65 8D+2 0.32271 66 8D-2 0.32381 67 4 Cu 1S 2.00473 68 2S 0.65765 69 3S 0.10924 70 4PX 1.99474 71 4PY 1.99481 72 4PZ 1.99446 73 5PX 0.16959 74 5PY 0.10728 75 5PZ 0.10801 76 6PX -0.00966 77 6PY -0.00671 78 6PZ 0.01504 79 7D 0 1.64985 80 7D+1 1.63545 81 7D-1 1.65062 82 7D+2 1.65535 83 7D-2 1.64174 84 8D 0 0.32104 85 8D+1 0.32263 86 8D-1 0.31889 87 8D+2 0.31893 88 8D-2 0.32077 89 5 Cu 1S 2.00509 90 2S 0.69254 91 3S 0.26590 92 4PX 1.99473 93 4PY 1.99476 94 4PZ 1.99428 95 5PX 0.07711 96 5PY 0.12863 97 5PZ 0.07022 98 6PX 0.01125 99 6PY -0.00190 100 6PZ 0.00532 101 7D 0 1.64453 102 7D+1 1.65601 103 7D-1 1.63618 104 7D+2 1.64366 105 7D-2 1.65765 106 8D 0 0.32231 107 8D+1 0.32270 108 8D-1 0.32390 109 8D+2 0.32259 110 8D-2 0.32149 111 6 Cu 1S 2.00524 112 2S 0.68879 113 3S 0.21663 114 4PX 1.99457 115 4PY 1.99471 116 4PZ 1.99477 117 5PX 0.07864 118 5PY 0.11392 119 5PZ 0.10131 120 6PX 0.01187 121 6PY 0.00640 122 6PZ -0.01153 123 7D 0 1.64514 124 7D+1 1.65292 125 7D-1 1.63982 126 7D+2 1.64481 127 7D-2 1.65479 128 8D 0 0.32425 129 8D+1 0.32177 130 8D-1 0.32400 131 8D+2 0.32095 132 8D-2 0.32179 133 7 Cu 1S 2.00378 134 2S 0.66358 135 3S 0.04706 136 4PX 1.99449 137 4PY 1.99453 138 4PZ 1.99485 139 5PX 0.12439 140 5PY 0.14958 141 5PZ 0.12942 142 6PX 0.02674 143 6PY 0.05420 144 6PZ 0.01820 145 7D 0 1.63946 146 7D+1 1.63833 147 7D-1 1.64127 148 7D+2 1.65932 149 7D-2 1.64309 150 8D 0 0.31918 151 8D+1 0.31827 152 8D-1 0.31882 153 8D+2 0.31358 154 8D-2 0.31686 155 8 Cu 1S 2.00454 156 2S 0.68185 157 3S 0.17254 158 4PX 1.99486 159 4PY 1.99453 160 4PZ 1.99438 161 5PX 0.09064 162 5PY 0.09950 163 5PZ 0.06295 164 6PX -0.01161 165 6PY 0.03214 166 6PZ -0.00078 167 7D 0 1.64526 168 7D+1 1.64036 169 7D-1 1.64710 170 7D+2 1.65743 171 7D-2 1.65182 172 8D 0 0.32469 173 8D+1 0.32407 174 8D-1 0.32388 175 8D+2 0.32078 176 8D-2 0.32165 177 9 C 1S 1.99854 178 2S 0.88629 179 3S 0.67870 180 4PX 0.57585 181 4PY 0.94222 182 4PZ 0.56232 183 5PX 0.09518 184 5PY 0.04200 185 5PZ 0.09074 186 10 O 1S 1.99922 187 2S 0.99124 188 3S 0.83615 189 4PX 1.09837 190 4PY 1.17824 191 4PZ 1.09538 192 5PX 0.36305 193 5PY 0.16637 194 5PZ 0.36949 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.866590 -0.341950 -0.139635 -0.016261 -0.153913 -0.094173 2 Cu -0.341950 19.416130 -0.030314 -0.103056 -0.039820 0.039099 3 Cu -0.139635 -0.030314 18.986010 -0.046108 0.076089 0.064091 4 Cu -0.016261 -0.103056 -0.046108 19.172980 0.025718 -0.089149 5 Cu -0.153913 -0.039820 0.076089 0.025718 19.095260 0.064726 6 Cu -0.094173 0.039099 0.064091 -0.089149 0.064726 19.068147 7 Cu -0.009366 -0.183765 0.105400 -0.066674 -0.008043 -0.001981 8 Cu -0.225539 0.102894 -0.035166 0.083025 0.029913 -0.003926 9 C 0.009899 0.163867 0.006065 0.019924 0.009269 -0.001238 10 O 0.000659 0.041094 -0.006859 -0.005934 -0.010243 -0.000038 7 8 9 10 1 Cu -0.009366 -0.225539 0.009899 0.000659 2 Cu -0.183765 0.102894 0.163867 0.041094 3 Cu 0.105400 -0.035166 0.006065 -0.006859 4 Cu -0.066674 0.083025 0.019924 -0.005934 5 Cu -0.008043 0.029913 0.009269 -0.010243 6 Cu -0.001981 -0.003926 -0.001238 -0.000038 7 Cu 19.180009 -0.006150 0.007116 -0.007541 8 Cu -0.006150 19.031035 -0.003240 -0.000264 9 C 0.007116 -0.003240 5.097446 0.562747 10 O -0.007541 -0.000264 0.562747 7.523896 Mulliken atomic charges: 1 1 Cu 0.103689 2 Cu -0.064179 3 Cu 0.020427 4 Cu 0.025534 5 Cu -0.088956 6 Cu -0.045557 7 Cu -0.009005 8 Cu 0.027419 9 C 0.128145 10 O -0.097518 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.103689 2 Cu -0.064179 3 Cu 0.020427 4 Cu 0.025534 5 Cu -0.088956 6 Cu -0.045557 7 Cu -0.009005 8 Cu 0.027419 9 C 0.128145 10 O -0.097518 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.076216 2 Cu -0.162809 3 Cu -0.037363 4 Cu -0.001880 5 Cu -0.034083 6 Cu 0.013476 7 Cu -0.068010 8 Cu 0.017118 9 C 1.204532 10 O -1.007197 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.076216 2 Cu -0.162809 3 Cu -0.037363 4 Cu -0.001880 5 Cu -0.034083 6 Cu 0.013476 7 Cu -0.068010 8 Cu 0.017118 9 C 1.204532 10 O -1.007197 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4066.1675 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0868 Y= -0.0319 Z= -0.1530 Tot= 0.1788 Quadrupole moment (field-independent basis, Debye-Ang): XX= -116.1751 YY= -121.3073 ZZ= -107.3714 XY= -2.5005 XZ= -0.6326 YZ= 0.8871 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -1.2239 YY= -6.3560 ZZ= 7.5799 XY= -2.5005 XZ= -0.6326 YZ= 0.8871 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 39.9615 YYY= 312.8335 ZZZ= -98.0429 XYY= 6.6196 XXY= 95.0567 XXZ= -38.1944 XZZ= 17.2478 YZZ= 88.9668 YYZ= -30.8720 XYZ= -3.2478 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1070.8420 YYYY= -2789.0002 ZZZZ= -1407.3990 XXXY= 252.0232 XXXZ= 98.5930 YYYX= 326.0488 YYYZ= -164.3769 ZZZX= 103.2971 ZZZY= -118.9754 XXYY= -599.4388 XXZZ= -406.6804 YYZZ= -651.3904 XXYZ= -50.8917 YYXZ= 51.3344 ZZXY= 81.2050 N-N= 2.111906034655D+03 E-N=-8.333472508673D+03 KE= 1.132122226391D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.27411 29.12433 2 O -10.35428 15.96889 3 O -4.34375 2.68661 4 O -4.30933 2.68705 5 O -4.29639 2.68705 6 O -4.29430 2.68716 7 O -4.28933 2.68747 8 O -4.28802 2.68746 9 O -4.28738 2.68652 10 O -4.28696 2.68823 11 O -2.85534 5.08078 12 O -2.84780 5.08645 13 O -2.84672 5.08891 14 O -2.81851 5.07977 15 O -2.81607 5.08568 16 O -2.81433 5.08243 17 O -2.80478 5.07872 18 O -2.80381 5.08470 19 O -2.80280 5.08380 20 O -2.80196 5.09511 21 O -2.80165 5.08399 22 O -2.80006 5.08134 23 O -2.79781 5.08793 24 O -2.79745 5.08556 25 O -2.79690 5.08227 26 O -2.79654 5.08640 27 O -2.79549 5.08703 28 O -2.79528 5.09036 29 O -2.79473 5.08938 30 O -2.79464 5.08454 31 O -2.79388 5.08965 32 O -2.79379 5.09529 33 O -2.79307 5.09052 34 O -2.79276 5.09141 35 O -1.19046 2.85862 36 O -0.58944 2.51865 37 O -0.48623 2.05551 38 O -0.48596 2.03318 39 O -0.47709 2.37945 40 O -0.36396 1.84643 41 O -0.34078 7.64306 42 O -0.33414 7.95054 43 O -0.32671 7.89160 44 O -0.32393 8.17737 45 O -0.32241 8.47702 46 O -0.32174 8.17720 47 O -0.31518 7.57229 48 O -0.31325 8.25610 49 O -0.30804 8.49931 50 O -0.30140 8.43276 51 O -0.29755 8.47494 52 O -0.29453 8.62661 53 O -0.29217 8.70260 54 O -0.29103 8.87691 55 O -0.28803 8.43495 56 O -0.28540 8.45680 57 O -0.28353 8.86878 58 O -0.28121 8.56057 59 O -0.27848 8.73335 60 O -0.27663 9.03724 61 O -0.27540 8.99648 62 O -0.27123 8.91994 63 O -0.26982 8.89195 64 O -0.26740 9.15496 65 O -0.26529 9.38811 66 O -0.26513 9.28221 67 O -0.26357 9.42456 68 O -0.26311 9.23986 69 O -0.26220 9.35551 70 O -0.26061 9.43321 71 O -0.25952 9.38111 72 O -0.25859 9.40230 73 O -0.25749 9.53017 74 O -0.25666 9.56656 75 O -0.25440 9.56796 76 O -0.25340 9.64036 77 O -0.25156 9.54854 78 O -0.25068 9.62759 79 O -0.24940 9.64490 80 O -0.24696 9.61140 81 O -0.22022 3.55846 82 O -0.19551 2.70395 83 O -0.17704 1.98639 84 V -0.10042 1.53467 85 V -0.08849 1.72987 86 V -0.08178 1.34507 87 V -0.07484 1.01321 88 V -0.05765 1.53518 89 V -0.04991 1.12309 90 V -0.03818 0.58431 91 V -0.02482 0.87415 92 V -0.01851 0.61392 93 V -0.00348 0.52579 94 V 0.00349 0.54441 95 V 0.01709 0.61093 96 V 0.01819 0.41810 97 V 0.02573 0.46735 98 V 0.02993 0.52200 99 V 0.03391 0.37039 100 V 0.03596 0.41414 101 V 0.04058 0.33085 102 V 0.04143 0.34575 103 V 0.04411 0.38209 104 V 0.04890 0.34886 105 V 0.05361 0.42775 106 V 0.05578 0.39066 107 V 0.05684 0.35461 108 V 0.06340 0.44391 109 V 0.07223 0.34375 110 V 0.07683 0.37905 111 V 0.07830 0.34646 112 V 0.08196 0.35591 113 V 0.08368 0.29250 114 V 0.08453 0.29937 115 V 0.08762 0.30546 116 V 0.08988 0.46449 117 V 0.09490 0.40545 118 V 0.10253 0.49310 119 V 0.10380 0.36112 120 V 0.10641 0.47344 121 V 0.12663 0.50448 122 V 0.14263 0.92549 123 V 0.15113 1.05701 124 V 0.17472 0.95720 125 V 0.18474 1.12996 126 V 0.19840 1.15501 127 V 0.20503 1.05940 128 V 0.22147 1.34667 129 V 0.24202 1.29338 130 V 0.25582 1.43105 131 V 0.26913 1.31638 132 V 0.26988 1.37203 133 V 0.27995 1.31918 134 V 0.29351 1.37367 135 V 0.30303 1.56831 136 V 0.31203 1.68610 137 V 0.33141 1.22188 138 V 0.33637 1.65914 139 V 0.38706 1.39218 140 V 0.41188 1.40499 141 V 0.53429 2.71668 142 V 0.62043 4.21881 143 V 0.64335 4.09362 144 V 0.64668 3.92876 145 V 0.65533 4.14596 146 V 0.66973 3.48497 147 V 0.67933 4.05598 148 V 0.71014 3.90981 149 V 0.72095 3.77355 150 V 0.73992 4.07297 151 V 0.74648 3.81553 152 V 0.75095 4.01879 153 V 0.77018 4.36127 154 V 0.78431 4.15614 155 V 0.78707 3.96375 156 V 0.80472 4.09348 157 V 0.83430 3.82702 158 V 0.84999 4.44585 159 V 0.85916 3.71290 160 V 0.86797 4.30884 161 V 0.88100 4.33960 162 V 0.89653 4.23720 163 V 0.92902 4.34074 164 V 0.96227 4.25424 165 V 0.97733 4.36992 166 V 0.99882 4.36136 167 V 1.03462 4.43665 168 V 1.03965 4.42501 169 V 1.04651 4.48373 170 V 1.06222 4.39145 171 V 1.08739 4.51470 172 V 1.11117 4.23903 173 V 1.13641 4.26453 174 V 1.18587 4.36083 175 V 1.23475 4.52271 176 V 1.24434 4.61499 177 V 1.26938 4.51159 178 V 1.27359 4.55852 179 V 1.29437 4.63816 180 V 1.30052 4.58861 181 V 1.30809 4.58876 182 V 1.32597 4.63255 183 V 1.33153 4.66028 184 V 1.34633 4.72902 185 V 1.37914 4.79805 186 V 1.61211 3.36101 187 V 1.62791 2.22679 188 V 1.85521 2.19546 189 V 1.87851 1.90719 190 V 1.99217 1.86595 191 V 2.05914 1.93702 192 V 3.09999 1.53431 193 V 4.17435 1.57182 194 V 10.44262 2.94982 Total kinetic energy from orbitals= 1.132122226391D+03 Exact polarizability: 265.827 -41.327 326.906 -12.521 28.491 301.579 Approx polarizability: 606.448-115.593 761.419 -7.717 68.248 716.169 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sat Apr 12 10:16:58 2008, MaxMem= 12582912 cpu: 2.8 (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= 2775 NPrTT= 15425 LenC2= 2776 LenP2D= 15050. LDataN: DoStor=F MaxTD1= 6 Len= 172 LDataN: DoStor=T MaxTD1= 6 Len= 172 Leave Link 701 at Sat Apr 12 10:17:16 2008, MaxMem= 12582912 cpu: 60.9 (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 10:17:16 2008, MaxMem= 12582912 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. PrsmSu: requested number of processors reduced to: 3 ShMem 1 Linda. Leave Link 703 at Sat Apr 12 10:21:14 2008, MaxMem= 12582912 cpu: 779.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole = 3.41524995D-02-1.25487276D-02-6.02058817D-02 Polarizability= 2.65827268D+02-4.13265602D+01 3.26906088D+02 -1.25209764D+01 2.84907917D+01 3.01579225D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000011572 -0.000108109 -0.000026016 2 29 0.000130781 0.000097179 -0.000040746 3 29 -0.000008688 0.000076669 0.000138993 4 29 0.000029594 -0.000042492 -0.000135663 5 29 0.000012667 -0.000006053 0.000003372 6 29 0.000012127 0.000010773 0.000091895 7 29 -0.000130419 0.000021811 0.000219685 8 29 0.000021225 0.000003977 -0.000153303 9 6 -0.000153935 -0.000019230 -0.000404232 10 8 0.000075075 -0.000034524 0.000306015 ------------------------------------------------------------------- Cartesian Forces: Max 0.000404232 RMS 0.000125650 Force constants in Cartesian coordinates: 1 2 3 4 5 1 0.376103D-01 2 -0.698436D-02 0.445208D-01 3 -0.141621D-01 0.183723D-01 0.815454D-01 4 0.132506D-02 0.255474D-02 -0.150519D-02 0.354969D-01 5 0.362039D-03 -0.204083D-01 -0.325243D-02 -0.337840D-01 0.122788D+00 6 -0.195853D-02 -0.309148D-02 0.171737D-02 -0.934119D-02 0.198105D-01 7 -0.261096D-02 0.682182D-02 0.140558D-01 -0.256300D-02 -0.543087D-02 8 0.389955D-02 -0.338516D-02 -0.105979D-01 -0.198123D-02 -0.606964D-02 9 0.109508D-01 -0.139340D-01 -0.293489D-01 0.289776D-02 0.851460D-02 10 -0.981595D-02 -0.784381D-02 -0.130886D-01 -0.445155D-02 0.837041D-02 11 -0.648316D-02 -0.314462D-02 -0.621805D-02 0.536598D-02 -0.472300D-02 12 -0.121285D-01 -0.690048D-02 -0.770857D-02 -0.534098D-02 0.540635D-02 13 0.107773D-02 0.291524D-02 -0.424154D-02 0.149784D-03 -0.149947D-02 14 0.205678D-02 -0.761682D-02 0.147721D-01 0.642993D-03 -0.249450D-02 15 -0.848489D-03 0.144121D-01 -0.186979D-01 0.667328D-03 -0.829577D-02 16 -0.165612D-01 0.602107D-02 0.112077D-02 -0.251170D-02 -0.584680D-03 17 0.758557D-02 -0.141946D-02 0.516136D-03 0.155187D-02 -0.143286D-02 18 -0.118403D-02 0.162312D-02 0.772075D-03 -0.271499D-05 -0.416335D-03 19 -0.859163D-02 -0.717775D-02 0.534082D-02 -0.137412D-01 0.107953D-01 20 -0.782050D-02 -0.380259D-02 0.329652D-02 0.736257D-02 -0.370236D-02 21 0.439214D-02 0.241508D-02 -0.758955D-03 0.870052D-02 -0.602110D-02 22 -0.177284D-02 0.477537D-02 0.116554D-01 -0.672720D-03 0.170394D-03 23 0.678076D-02 -0.459081D-02 -0.166214D-01 -0.259096D-02 -0.176131D-02 24 0.141938D-01 -0.132083D-01 -0.271346D-01 -0.321794D-03 0.251573D-03 25 -0.129513D-02 -0.158676D-02 0.153488D-02 -0.177297D-01 0.164926D-01 26 0.632043D-03 -0.201835D-03 -0.203623D-03 0.175772D-01 -0.716007D-01 27 0.140220D-02 0.585170D-03 -0.903048D-03 0.350250D-02 -0.119697D-01 28 0.634543D-03 0.504428D-03 -0.710164D-03 0.469812D-02 0.510826D-02 29 -0.287196D-04 0.488796D-04 -0.635713D-04 0.330077D-02 -0.105956D-01 30 -0.657271D-03 -0.273575D-03 0.517149D-03 0.743755D-03 -0.402766D-02 6 7 8 9 10 6 0.381053D-01 7 0.499809D-02 0.228923D-01 8 0.548467D-02 -0.140456D-03 0.123728D-01 9 -0.855646D-02 -0.218491D-01 0.382729D-02 0.419984D-01 10 -0.549689D-02 -0.152172D-01 -0.115766D-02 0.647907D-02 0.318949D-01 11 0.263243D-02 -0.638994D-03 -0.515603D-03 0.228754D-03 -0.152967D-02 12 -0.157859D-02 0.271498D-02 -0.152522D-03 -0.106450D-02 0.699886D-02 13 -0.217426D-02 0.544571D-03 -0.359625D-03 0.124265D-02 -0.200310D-02 14 -0.532001D-02 0.210167D-03 -0.607071D-03 0.437451D-03 -0.136345D-02 15 -0.125446D-01 -0.753589D-03 0.240643D-03 -0.826487D-03 -0.762249D-03 16 -0.171466D-03 -0.116752D-02 0.156945D-03 -0.696231D-03 -0.216783D-03 17 0.237102D-02 -0.349237D-03 0.173663D-03 -0.500673D-03 0.319181D-02 18 -0.871658D-03 0.740586D-03 -0.716842D-03 0.141487D-03 0.235868D-02 19 0.995409D-02 -0.264657D-02 -0.466544D-04 0.246017D-03 0.210318D-02 20 -0.469866D-02 -0.481493D-03 -0.114208D-02 0.682563D-03 -0.334232D-03 21 -0.491960D-02 0.109626D-02 0.538298D-03 -0.197105D-02 0.328570D-02 22 0.298739D-03 0.476800D-03 0.817272D-03 0.355316D-03 -0.141631D-02 23 -0.179646D-02 0.981152D-04 0.338624D-03 0.541371D-03 0.552274D-03 24 -0.162873D-02 -0.961650D-03 -0.148598D-03 0.181052D-03 0.362278D-03 25 0.283452D-02 0.507138D-03 -0.256789D-02 0.619489D-03 -0.156772D-02 26 -0.127616D-01 -0.273239D-03 0.377617D-03 -0.238431D-03 0.149849D-04 27 -0.145852D-01 -0.255575D-03 0.294430D-02 -0.845586D-03 -0.495898D-04 28 0.105688D-02 -0.215577D-03 0.137975D-02 -0.245720D-03 0.690507D-03 29 -0.263048D-02 0.184179D-03 -0.154314D-02 0.441058D-03 0.993478D-04 30 0.486213D-02 0.214251D-03 -0.141931D-02 0.291978D-03 -0.872404D-04 11 12 13 14 15 11 0.197703D-01 12 0.468674D-02 0.535124D-01 13 0.149044D-02 -0.610132D-03 0.269326D-01 14 -0.139101D-02 -0.117516D-02 -0.615109D-02 0.219566D-01 15 0.828224D-03 -0.260916D-02 0.175012D-01 -0.815188D-02 0.425971D-01 16 0.473915D-02 0.479416D-02 -0.167442D-02 0.137398D-02 -0.102492D-03 17 -0.945386D-02 -0.105584D-01 -0.566535D-03 -0.168729D-02 -0.885153D-03 18 -0.623692D-02 -0.651979D-02 -0.211836D-02 0.202898D-02 -0.261284D-03 19 -0.112805D-02 0.507014D-02 -0.233659D-01 -0.238006D-03 -0.148472D-01 20 0.925998D-03 0.721091D-02 -0.461582D-03 0.222082D-02 -0.563813D-03 21 0.538097D-02 -0.317435D-01 -0.115204D-01 0.468834D-04 -0.601448D-02 22 -0.244593D-02 -0.111212D-02 -0.180128D-02 0.384288D-02 -0.401246D-03 23 -0.119345D-02 0.104157D-02 0.489574D-02 -0.100869D-01 0.265700D-02 24 -0.230084D-02 -0.167091D-02 0.158745D-02 -0.152277D-02 -0.148235D-03 25 0.699545D-03 -0.660722D-03 0.243793D-03 -0.923297D-03 -0.876526D-03 26 -0.690404D-04 0.145568D-02 -0.138898D-02 0.114778D-03 -0.220167D-03 27 0.172321D-02 -0.103591D-02 0.483645D-03 -0.152362D-02 -0.242238D-02 28 -0.693014D-04 0.274272D-03 -0.103865D-03 0.549034D-03 0.423312D-03 29 -0.205676D-03 -0.101473D-02 0.112586D-02 -0.408611D-03 -0.212314D-04 30 -0.724510D-03 0.418506D-03 -0.150283D-03 0.408049D-03 0.927362D-03 16 17 18 19 20 16 0.312159D-01 17 -0.150368D-01 0.309294D-01 18 0.118874D-01 0.186878D-02 0.268025D-01 19 0.816978D-03 0.339120D-02 -0.114142D-03 0.463583D-01 20 0.532025D-02 -0.172218D-01 0.571587D-02 -0.380774D-02 0.254622D-01 21 -0.175789D-02 0.800332D-02 -0.170802D-02 -0.427091D-02 -0.938032D-02 22 -0.112365D-01 -0.199528D-03 -0.121998D-01 -0.368801D-03 -0.344499D-03 23 -0.246511D-02 0.169928D-02 -0.233911D-02 -0.941956D-03 -0.214304D-02 24 -0.150908D-01 0.732216D-03 -0.184214D-01 -0.164006D-02 -0.185836D-02 25 0.232727D-02 0.634996D-03 0.907882D-03 -0.714381D-03 0.664595D-03 26 0.124407D-02 -0.172531D-02 -0.145724D-02 -0.168228D-02 -0.708571D-03 27 -0.620430D-04 -0.270449D-02 0.341664D-03 0.263497D-04 -0.406831D-03 28 -0.992137D-03 -0.203325D-03 -0.275577D-03 0.150035D-03 -0.973655D-04 29 -0.768845D-03 0.138214D-03 -0.703017D-04 0.835940D-03 0.111428D-03 30 0.785901D-04 0.115721D-02 -0.275573D-03 0.234944D-03 0.211421D-05 21 22 23 24 25 21 0.477306D-01 22 -0.631550D-03 0.171613D-01 23 -0.107504D-02 -0.822031D-02 0.186645D-01 24 -0.379381D-03 0.178834D-02 0.178125D-01 0.481918D-01 25 0.101355D-02 -0.451617D-03 0.303977D-02 0.258672D-03 0.768358D-01 26 0.178615D-03 0.205142D-02 0.129778D-03 -0.398681D-03 -0.221272D+00 27 -0.408456D-03 0.477060D-03 -0.294760D-03 0.168996D-02 -0.380389D-01 28 -0.307452D-03 0.819665D-04 -0.114832D-02 -0.176186D-03 -0.581555D-01 29 -0.867019D-04 -0.447066D-03 -0.105662D-02 0.641316D-03 0.204819D+00 30 0.172871D-03 -0.230181D-03 0.744069D-04 -0.679550D-03 0.324071D-01 26 27 28 29 30 26 0.100946D+01 27 0.150731D+00 0.530063D-01 28 0.203097D+00 0.325143D-01 0.532119D-01 29 -0.935778D+00 -0.139084D+00 -0.209120D+00 0.949290D+00 30 -0.137085D+00 -0.348373D-01 -0.325537D-01 0.141889D+00 0.286024D-01 Leave Link 716 at Sat Apr 12 10:21:14 2008, MaxMem= 12582912 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 Sat Apr 12 10:21:15 2008, MaxMem= 12582912 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 0.0019 0.0000 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2111.9060346546 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= 10 NActive= 10 NUniq= 10 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sat Apr 12 10:21:15 2008, MaxMem= 12582912 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= 2775 NPrTT= 15425 LenC2= 2735 LenP2D= 11351. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 194 RedAO= T NBF= 194 NBsUse= 194 1.00D-06 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 616 NPtTot= 106390 NUsed= 110743 NTot= 110775 NSgBfM= 210 210 210 210. Leave Link 302 at Sat Apr 12 10:21:20 2008, MaxMem= 12582912 cpu: 9.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2111.8336033786 hartrees. Leave Link 303 at Sat Apr 12 10:21:20 2008, MaxMem= 12582912 cpu: 0.2 (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. Leave Link 401 at Sat Apr 12 10:21:21 2008, MaxMem= 12582912 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed 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. 110742 words used for storage of precomputed grid. IEnd= 284425 IEndB= 284425 NGot= 12582912 MDV= 12359438 LenX= 12359438 Fock matrices will be formed incrementally for 20 cycles. Cycle 1 Pass 1 IDiag 1: 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. E= -1682.74642451317 DIIS: error= 1.36D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.74642451317 IErMin= 1 ErrMin= 1.36D-03 ErrMax= 1.36D-03 EMaxC= 1.00D-01 BMatC= 9.40D-05 BMatP= 9.40D-05 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.36D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.075 Goal= None Shift= 0.000 GapD= 0.075 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.30D-04 MaxDP=6.37D-03 OVMax= 3.81D-02 Cycle 2 Pass 1 IDiag 1: RMSU= 2.15D-04 CP: 1.00D+00 E= -1682.74650019547 Delta-E= -0.000075682294 Rises=F Damp=T DIIS: error= 4.07D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.74650019547 IErMin= 2 ErrMin= 4.07D-04 ErrMax= 4.07D-04 EMaxC= 1.00D-01 BMatC= 7.02D-05 BMatP= 9.40D-05 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.07D-03 Coeff-Com: 0.450D+00 0.550D+00 Coeff-En: 0.419D+00 0.581D+00 Coeff: 0.450D+00 0.550D+00 Gap= 0.076 Goal= None Shift= 0.000 RMSDP=2.22D-04 MaxDP=3.12D-03 DE=-7.57D-05 OVMax= 1.78D-02 Cycle 3 Pass 1 IDiag 1: RMSU= 2.22D-04 CP: 1.00D+00 1.05D+00 E= -1682.74683586428 Delta-E= -0.000335668814 Rises=F Damp=F DIIS: error= 3.28D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.74683586428 IErMin= 3 ErrMin= 3.28D-04 ErrMax= 3.28D-04 EMaxC= 1.00D-01 BMatC= 6.20D-05 BMatP= 7.02D-05 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.28D-03 Coeff-Com: 0.285D+00 0.367D+00 0.348D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.284D+00 0.366D+00 0.350D+00 Gap= 0.076 Goal= None Shift= 0.000 RMSDP=6.15D-05 MaxDP=9.97D-04 DE=-3.36D-04 OVMax= 2.68D-03 Cycle 4 Pass 1 IDiag 1: RMSU= 4.84D-05 CP: 1.00D+00 9.12D-01 8.89D-01 E= -1682.74689613055 Delta-E= -0.000060266269 Rises=F Damp=F DIIS: error= 4.76D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.74689613055 IErMin= 4 ErrMin= 4.76D-05 ErrMax= 4.76D-05 EMaxC= 1.00D-01 BMatC= 1.22D-06 BMatP= 6.20D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.824D-01 0.470D-01 0.809D-01 0.790D+00 Coeff: 0.824D-01 0.470D-01 0.809D-01 0.790D+00 Gap= 0.076 Goal= None Shift= 0.000 RMSDP=2.76D-05 MaxDP=5.88D-04 DE=-6.03D-05 OVMax= 6.24D-04 Cycle 5 Pass 1 IDiag 1: RMSU= 2.63D-05 CP: 1.00D+00 8.89D-01 8.81D-01 1.13D+00 E= -1682.74689699284 Delta-E= -0.000000862290 Rises=F Damp=F DIIS: error= 5.82D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.74689699284 IErMin= 4 ErrMin= 4.76D-05 ErrMax= 5.82D-05 EMaxC= 1.00D-01 BMatC= 1.88D-06 BMatP= 1.22D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.323D-01-0.460D-02 0.876D-02 0.581D+00 0.383D+00 Coeff: 0.323D-01-0.460D-02 0.876D-02 0.581D+00 0.383D+00 Gap= 0.076 Goal= None Shift= 0.000 RMSDP=1.16D-05 MaxDP=2.42D-04 DE=-8.62D-07 OVMax= 3.60D-04 Cycle 6 Pass 1 IDiag 1: RMSU= 1.08D-05 CP: 1.00D+00 8.91D-01 8.76D-01 1.22D+00 9.59D-01 E= -1682.74689808891 Delta-E= -0.000001096066 Rises=F Damp=F DIIS: error= 2.85D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.74689808891 IErMin= 6 ErrMin= 2.85D-05 ErrMax= 2.85D-05 EMaxC= 1.00D-01 BMatC= 4.12D-07 BMatP= 1.22D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.388D-02-0.113D-01-0.207D-01 0.190D+00 0.332D+00 0.506D+00 Coeff: 0.388D-02-0.113D-01-0.207D-01 0.190D+00 0.332D+00 0.506D+00 Gap= 0.076 Goal= None Shift= 0.000 RMSDP=6.14D-06 MaxDP=1.35D-04 DE=-1.10D-06 OVMax= 2.38D-04 Cycle 7 Pass 1 IDiag 1: RMSU= 4.72D-06 CP: 1.00D+00 8.87D-01 8.79D-01 1.23D+00 9.38D-01 CP: 6.59D-01 E= -1682.74689836303 Delta-E= -0.000000274124 Rises=F Damp=F DIIS: error= 1.47D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.74689836303 IErMin= 7 ErrMin= 1.47D-05 ErrMax= 1.47D-05 EMaxC= 1.00D-01 BMatC= 7.29D-08 BMatP= 4.12D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.102D-02-0.704D-02-0.168D-01 0.568D-01 0.204D+00 0.391D+00 Coeff-Com: 0.373D+00 Coeff: -0.102D-02-0.704D-02-0.168D-01 0.568D-01 0.204D+00 0.391D+00 Coeff: 0.373D+00 Gap= 0.076 Goal= None Shift= 0.000 RMSDP=2.63D-06 MaxDP=3.64D-05 DE=-2.74D-07 OVMax= 1.44D-04 Cycle 8 Pass 1 IDiag 1: RMSU= 1.85D-06 CP: 1.00D+00 8.88D-01 8.80D-01 1.23D+00 9.47D-01 CP: 6.14D-01 6.25D-01 E= -1682.74689843201 Delta-E= -0.000000068974 Rises=F Damp=F DIIS: error= 3.00D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.74689843201 IErMin= 8 ErrMin= 3.00D-06 ErrMax= 3.00D-06 EMaxC= 1.00D-01 BMatC= 6.61D-09 BMatP= 7.29D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.908D-03-0.351D-02-0.835D-02 0.163D-01 0.997D-01 0.210D+00 Coeff-Com: 0.266D+00 0.421D+00 Coeff: -0.908D-03-0.351D-02-0.835D-02 0.163D-01 0.997D-01 0.210D+00 Coeff: 0.266D+00 0.421D+00 Gap= 0.076 Goal= None Shift= 0.000 RMSDP=8.73D-07 MaxDP=1.51D-05 DE=-6.90D-08 OVMax= 3.53D-05 Cycle 9 Pass 1 IDiag 1: RMSU= 7.00D-07 CP: 1.00D+00 8.88D-01 8.80D-01 1.24D+00 9.49D-01 CP: 6.36D-01 6.48D-01 7.68D-01 E= -1682.74689843801 Delta-E= -0.000000006006 Rises=F Damp=F DIIS: error= 1.55D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.74689843801 IErMin= 9 ErrMin= 1.55D-06 ErrMax= 1.55D-06 EMaxC= 1.00D-01 BMatC= 8.19D-10 BMatP= 6.61D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.322D-03-0.435D-03-0.397D-03-0.891D-02 0.574D-02 0.317D-01 Coeff-Com: 0.819D-01 0.275D+00 0.616D+00 Coeff: -0.322D-03-0.435D-03-0.397D-03-0.891D-02 0.574D-02 0.317D-01 Coeff: 0.819D-01 0.275D+00 0.616D+00 Gap= 0.076 Goal= None Shift= 0.000 RMSDP=3.69D-07 MaxDP=6.51D-06 DE=-6.01D-09 OVMax= 1.94D-05 Cycle 10 Pass 1 IDiag 1: RMSU= 2.98D-07 CP: 1.00D+00 8.88D-01 8.80D-01 1.24D+00 9.55D-01 CP: 6.47D-01 6.65D-01 7.64D-01 8.98D-01 E= -1682.74689843894 Delta-E= -0.000000000931 Rises=F Damp=F DIIS: error= 4.17D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.74689843894 IErMin=10 ErrMin= 4.17D-07 ErrMax= 4.17D-07 EMaxC= 1.00D-01 BMatC= 1.31D-10 BMatP= 8.19D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.141D-03 0.102D-04 0.409D-03-0.665D-02-0.486D-02 0.686D-03 Coeff-Com: 0.212D-01 0.136D+00 0.370D+00 0.483D+00 Coeff: -0.141D-03 0.102D-04 0.409D-03-0.665D-02-0.486D-02 0.686D-03 Coeff: 0.212D-01 0.136D+00 0.370D+00 0.483D+00 Gap= 0.076 Goal= None Shift= 0.000 RMSDP=1.52D-07 MaxDP=2.92D-06 DE=-9.31D-10 OVMax= 8.84D-06 Cycle 11 Pass 1 IDiag 1: RMSU= 1.10D-07 CP: 1.00D+00 8.88D-01 8.80D-01 1.24D+00 9.57D-01 CP: 6.49D-01 6.73D-01 7.91D-01 8.71D-01 8.88D-01 E= -1682.74689843906 Delta-E= -0.000000000115 Rises=F Damp=F DIIS: error= 2.89D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.74689843906 IErMin=11 ErrMin= 2.89D-07 ErrMax= 2.89D-07 EMaxC= 1.00D-01 BMatC= 3.52D-11 BMatP= 1.31D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.277D-04 0.149D-03 0.318D-03-0.299D-02-0.424D-02-0.555D-02 Coeff-Com: -0.165D-02 0.426D-01 0.114D+00 0.351D+00 0.507D+00 Coeff: -0.277D-04 0.149D-03 0.318D-03-0.299D-02-0.424D-02-0.555D-02 Coeff: -0.165D-02 0.426D-01 0.114D+00 0.351D+00 0.507D+00 Gap= 0.076 Goal= None Shift= 0.000 RMSDP=9.06D-08 MaxDP=1.29D-06 DE=-1.15D-10 OVMax= 6.35D-06 Cycle 12 Pass 1 IDiag 1: RMSU= 6.99D-08 CP: 1.00D+00 8.88D-01 8.80D-01 1.24D+00 9.58D-01 CP: 6.47D-01 6.69D-01 8.02D-01 8.60D-01 9.04D-01 CP: 6.65D-01 E= -1682.74689843908 Delta-E= -0.000000000025 Rises=F Damp=F DIIS: error= 1.57D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.74689843908 IErMin=12 ErrMin= 1.57D-07 ErrMax= 1.57D-07 EMaxC= 1.00D-01 BMatC= 6.42D-12 BMatP= 3.52D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.651D-05 0.835D-04 0.132D-03-0.685D-03-0.195D-02-0.408D-02 Coeff-Com: -0.469D-02 0.986D-03 0.142D-01 0.124D+00 0.353D+00 0.519D+00 Coeff: 0.651D-05 0.835D-04 0.132D-03-0.685D-03-0.195D-02-0.408D-02 Coeff: -0.469D-02 0.986D-03 0.142D-01 0.124D+00 0.353D+00 0.519D+00 Gap= 0.076 Goal= None Shift= 0.000 RMSDP=3.74D-08 MaxDP=7.25D-07 DE=-2.55D-11 OVMax= 1.65D-06 Cycle 13 Pass 1 IDiag 1: RMSU= 2.28D-08 CP: 1.00D+00 8.88D-01 8.80D-01 1.24D+00 9.58D-01 CP: 6.47D-01 6.73D-01 8.02D-01 8.75D-01 9.13D-01 CP: 7.50D-01 7.97D-01 E= -1682.74689843907 Delta-E= 0.000000000019 Rises=F Damp=F DIIS: error= 4.73D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=12 EnMin= -1682.74689843908 IErMin=13 ErrMin= 4.73D-08 ErrMax= 4.73D-08 EMaxC= 1.00D-01 BMatC= 1.51D-12 BMatP= 6.42D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.105D-04 0.498D-04 0.533D-04-0.106D-03-0.888D-03-0.230D-02 Coeff-Com: -0.357D-02-0.724D-02-0.955D-02 0.354D-01 0.191D+00 0.384D+00 Coeff-Com: 0.413D+00 Coeff: 0.105D-04 0.498D-04 0.533D-04-0.106D-03-0.888D-03-0.230D-02 Coeff: -0.357D-02-0.724D-02-0.955D-02 0.354D-01 0.191D+00 0.384D+00 Coeff: 0.413D+00 Gap= 0.076 Goal= None Shift= 0.000 RMSDP=1.15D-08 MaxDP=1.89D-07 DE= 1.86D-11 OVMax= 5.53D-07 Cycle 14 Pass 1 IDiag 1: RMSU= 8.42D-09 CP: 1.00D+00 8.88D-01 8.80D-01 1.24D+00 9.58D-01 CP: 6.48D-01 6.74D-01 8.02D-01 8.80D-01 9.20D-01 CP: 7.78D-01 8.05D-01 8.00D-01 E= -1682.74689843910 Delta-E= -0.000000000032 Rises=F Damp=F DIIS: error= 1.97D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1682.74689843910 IErMin=14 ErrMin= 1.97D-08 ErrMax= 1.97D-08 EMaxC= 1.00D-01 BMatC= 1.74D-13 BMatP= 1.51D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.463D-05 0.154D-04-0.105D-05 0.101D-03-0.131D-03-0.541D-03 Coeff-Com: -0.142D-02-0.509D-02-0.100D-01-0.401D-03 0.569D-01 0.159D+00 Coeff-Com: 0.272D+00 0.530D+00 Coeff: 0.463D-05 0.154D-04-0.105D-05 0.101D-03-0.131D-03-0.541D-03 Coeff: -0.142D-02-0.509D-02-0.100D-01-0.401D-03 0.569D-01 0.159D+00 Coeff: 0.272D+00 0.530D+00 Gap= 0.076 Goal= None Shift= 0.000 RMSDP=6.00D-09 MaxDP=1.39D-07 DE=-3.18D-11 OVMax= 3.50D-07 SCF Done: E(RB+HF-LYP) = -1682.74689844 A.U. after 14 cycles Convg = 0.6005D-08 -V/T = 2.4864 S**2 = 0.0000 KE= 1.132128675028D+03 PE=-8.333373644283D+03 EE= 3.406664467438D+03 Leave Link 502 at Sat Apr 12 10:22:36 2008, MaxMem= 12582912 cpu: 291.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.15905952D+02 **** Warning!!: The smallest alpha delta epsilon is 0.76333238D-01 Leave Link 801 at Sat Apr 12 10:22:37 2008, MaxMem= 12582912 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2735 LenP2D= 11351. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Number of processors reduced to 3 by ecpmxn. Leave Link 1101 at Sat Apr 12 10:22:44 2008, MaxMem= 12582912 cpu: 20.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 10. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sat Apr 12 10:22:45 2008, MaxMem= 12582912 cpu: 0.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 12582830. G2DrvN: will do 11 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 Sat Apr 12 10:23:56 2008, MaxMem= 12582912 cpu: 275.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: Closed-shell 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= 12582830 using IRadAn= 2. Generate precomputed XC quadrature information. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 3 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. 2 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 9.18D-16 Conv= 1.00D-12. Inverted reduced A of dimension 53 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.265046D+03 2 -0.404386D+02 0.326912D+03 3 -0.134553D+02 0.284508D+02 0.303202D+03 Isotropic polarizability for W= 0.000000 298.39 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sat Apr 12 10:26:33 2008, MaxMem= 12582912 cpu: 613.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27475 -10.35494 -4.34385 -4.30937 -4.29588 Alpha occ. eigenvalues -- -4.29375 -4.28888 -4.28798 -4.28677 -4.28626 Alpha occ. eigenvalues -- -2.85546 -2.84784 -2.84680 -2.81855 -2.81607 Alpha occ. eigenvalues -- -2.81439 -2.80425 -2.80331 -2.80231 -2.80146 Alpha occ. eigenvalues -- -2.80114 -2.79954 -2.79741 -2.79736 -2.79629 Alpha occ. eigenvalues -- -2.79602 -2.79487 -2.79474 -2.79466 -2.79399 Alpha occ. eigenvalues -- -2.79381 -2.79316 -2.79248 -2.79211 -1.19136 Alpha occ. eigenvalues -- -0.59057 -0.48725 -0.48698 -0.47785 -0.36357 Alpha occ. eigenvalues -- -0.34070 -0.33405 -0.32653 -0.32387 -0.32233 Alpha occ. eigenvalues -- -0.32153 -0.31506 -0.31303 -0.30787 -0.30101 Alpha occ. eigenvalues -- -0.29730 -0.29412 -0.29173 -0.29060 -0.28751 Alpha occ. eigenvalues -- -0.28505 -0.28314 -0.28076 -0.27816 -0.27634 Alpha occ. eigenvalues -- -0.27503 -0.27098 -0.26951 -0.26700 -0.26495 Alpha occ. eigenvalues -- -0.26481 -0.26317 -0.26265 -0.26185 -0.26023 Alpha occ. eigenvalues -- -0.25902 -0.25820 -0.25708 -0.25627 -0.25389 Alpha occ. eigenvalues -- -0.25302 -0.25115 -0.25015 -0.24893 -0.24654 Alpha occ. eigenvalues -- -0.21997 -0.19489 -0.17680 Alpha virt. eigenvalues -- -0.10047 -0.08870 -0.08208 -0.07478 -0.05772 Alpha virt. eigenvalues -- -0.04842 -0.03838 -0.02436 -0.01884 -0.00389 Alpha virt. eigenvalues -- 0.00327 0.01560 0.01681 0.02531 0.02799 Alpha virt. eigenvalues -- 0.03289 0.03590 0.04047 0.04300 0.04780 Alpha virt. eigenvalues -- 0.04899 0.05280 0.05770 0.06097 0.06437 Alpha virt. eigenvalues -- 0.07077 0.07602 0.07833 0.08100 0.08365 Alpha virt. eigenvalues -- 0.08783 0.09073 0.09256 0.09825 0.10341 Alpha virt. eigenvalues -- 0.10627 0.10835 0.12811 0.14402 0.15019 Alpha virt. eigenvalues -- 0.17439 0.18555 0.19907 0.20388 0.22110 Alpha virt. eigenvalues -- 0.24250 0.25671 0.26924 0.26998 0.28099 Alpha virt. eigenvalues -- 0.29438 0.30435 0.31231 0.33184 0.33630 Alpha virt. eigenvalues -- 0.38530 0.41063 0.53289 0.62077 0.64362 Alpha virt. eigenvalues -- 0.64687 0.65518 0.66821 0.67951 0.71035 Alpha virt. eigenvalues -- 0.72114 0.74048 0.74647 0.75091 0.77044 Alpha virt. eigenvalues -- 0.78482 0.78708 0.80465 0.83442 0.85028 Alpha virt. eigenvalues -- 0.85902 0.86818 0.88126 0.89713 0.92913 Alpha virt. eigenvalues -- 0.96276 0.97747 0.99943 1.03501 1.03986 Alpha virt. eigenvalues -- 1.04683 1.06254 1.08778 1.11145 1.13692 Alpha virt. eigenvalues -- 1.18633 1.23515 1.24470 1.26972 1.27414 Alpha virt. eigenvalues -- 1.29482 1.30099 1.30852 1.32674 1.33183 Alpha virt. eigenvalues -- 1.34677 1.37917 1.61195 1.62732 1.85634 Alpha virt. eigenvalues -- 1.87887 1.99351 2.06049 3.09993 4.17388 Alpha virt. eigenvalues -- 10.44161 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.895503 -0.347555 -0.138420 -0.019962 -0.154815 -0.095195 2 Cu -0.347555 19.419942 -0.032526 -0.102749 -0.041217 0.036423 3 Cu -0.138420 -0.032526 19.001379 -0.044073 0.076872 0.063228 4 Cu -0.019962 -0.102749 -0.044073 19.155249 0.025351 -0.084983 5 Cu -0.154815 -0.041217 0.076872 0.025351 19.107692 0.064214 6 Cu -0.095195 0.036423 0.063228 -0.084983 0.064214 19.049346 7 Cu -0.013395 -0.179704 0.105330 -0.065355 -0.005256 -0.001103 8 Cu -0.222665 0.103530 -0.035539 0.081518 0.030985 -0.001344 9 C 0.009394 0.165800 0.006123 0.019930 0.009152 -0.001153 10 O 0.000572 0.041347 -0.007039 -0.005955 -0.010384 -0.000059 7 8 9 10 1 Cu -0.013395 -0.222665 0.009394 0.000572 2 Cu -0.179704 0.103530 0.165800 0.041347 3 Cu 0.105330 -0.035539 0.006123 -0.007039 4 Cu -0.065355 0.081518 0.019930 -0.005955 5 Cu -0.005256 0.030985 0.009152 -0.010384 6 Cu -0.001103 -0.001344 -0.001153 -0.000059 7 Cu 19.155783 -0.007329 0.007342 -0.007501 8 Cu -0.007329 19.027231 -0.003175 -0.000275 9 C 0.007342 -0.003175 5.098620 0.561457 10 O -0.007501 -0.000275 0.561457 7.529572 Mulliken atomic charges: 1 1 Cu 0.086538 2 Cu -0.063291 3 Cu 0.004667 4 Cu 0.041029 5 Cu -0.102593 6 Cu -0.029374 7 Cu 0.011186 8 Cu 0.027062 9 C 0.126511 10 O -0.101735 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.086538 2 Cu -0.063291 3 Cu 0.004667 4 Cu 0.041029 5 Cu -0.102593 6 Cu -0.029374 7 Cu 0.011186 8 Cu 0.027062 9 C 0.126511 10 O -0.101735 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.073749 2 Cu -0.164515 3 Cu -0.058705 4 Cu 0.007885 5 Cu -0.045754 6 Cu 0.032076 7 Cu -0.053690 8 Cu 0.019647 9 C 1.212708 10 O -1.023401 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.073749 2 Cu -0.164515 3 Cu -0.058705 4 Cu 0.007885 5 Cu -0.045754 6 Cu 0.032076 7 Cu -0.053690 8 Cu 0.019647 9 C 1.212708 10 O -1.023401 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4066.3371 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -1.1875 Y= 0.1645 Z= -0.0907 Tot= 1.2022 Quadrupole moment (field-independent basis, Debye-Ang): XX= -115.5319 YY= -121.7144 ZZ= -107.8356 XY= -1.8797 XZ= -0.7638 YZ= 0.8206 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.5046 YY= -6.6871 ZZ= 7.1917 XY= -1.8797 XZ= -0.7638 YZ= 0.8206 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 29.4081 YYY= 316.7403 ZZZ= -97.9534 XYY= 1.7343 XXY= 96.1578 XXZ= -37.1470 XZZ= 12.6338 YZZ= 89.5257 YYZ= -30.3180 XYZ= -3.4028 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1059.7939 YYYY= -2805.0204 ZZZZ= -1414.6956 XXXY= 255.4427 XXXZ= 98.5765 YYYX= 334.8653 YYYZ= -166.3970 ZZZX= 101.5531 ZZZY= -118.6926 XXYY= -598.4826 XXZZ= -407.9636 YYZZ= -652.5260 XXYZ= -51.3158 YYXZ= 50.3544 ZZXY= 83.4830 N-N= 2.111833603379D+03 E-N=-8.333373656931D+03 KE= 1.132128675028D+03 Exact polarizability: 265.046 -40.439 326.912 -13.455 28.451 303.202 Approx polarizability: 604.789-114.689 765.636 -9.151 68.349 717.355 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sat Apr 12 10:26:34 2008, MaxMem= 12582912 cpu: 1.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-4.67181994D-01 6.47148658D-02-3.56916368D-02 Polarizability= 2.65045511D+02-4.04386198D+01 3.26911564D+02 -1.34552766D+01 2.84508208D+01 3.03202113D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000194344 -0.000238690 0.000147095 2 29 0.000344157 -0.000006462 0.000067460 3 29 0.000072778 0.000045252 0.000181706 4 29 -0.000067151 -0.000164895 -0.000301009 5 29 0.000099595 0.000002716 -0.000142859 6 29 -0.000030971 0.000289371 0.000079655 7 29 -0.000055681 -0.000052420 0.000234348 8 29 0.000058414 0.000005836 -0.000121460 9 6 -0.000774239 0.001507898 -0.000362331 10 8 0.000547442 -0.001388607 0.000217395 ------------------------------------------------------------------- Cartesian Forces: Max 0.001507898 RMS 0.000442798 Leave Link 716 at Sat Apr 12 10:26:35 2008, MaxMem= 12582912 cpu: 0.4 (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 Sat Apr 12 10:26:35 2008, MaxMem= 12582912 cpu: 0.6 (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. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2111.9060346546 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= 10 NActive= 10 NUniq= 10 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sat Apr 12 10:26:35 2008, MaxMem= 12582912 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= 2775 NPrTT= 15425 LenC2= 2735 LenP2D= 11351. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 194 RedAO= T NBF= 194 NBsUse= 194 1.00D-06 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 616 NPtTot= 106390 NUsed= 110743 NTot= 110775 NSgBfM= 210 210 210 210. Leave Link 302 at Sat Apr 12 10:26:39 2008, MaxMem= 12582912 cpu: 9.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2111.9784659305 hartrees. Leave Link 303 at Sat Apr 12 10:26:39 2008, MaxMem= 12582912 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. Leave Link 401 at Sat Apr 12 10:26:40 2008, MaxMem= 12582912 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed 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. 110742 words used for storage of precomputed grid. IEnd= 284425 IEndB= 284425 NGot= 12582912 MDV= 12359438 LenX= 12359438 Fock matrices will be formed incrementally for 20 cycles. Cycle 1 Pass 1 IDiag 1: 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. E= -1682.74655359091 DIIS: error= 1.36D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.74655359091 IErMin= 1 ErrMin= 1.36D-03 ErrMax= 1.36D-03 EMaxC= 1.00D-01 BMatC= 9.40D-05 BMatP= 9.40D-05 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.36D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.078 Goal= None Shift= 0.000 GapD= 0.078 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.28D-04 MaxDP=6.06D-03 OVMax= 3.77D-02 Cycle 2 Pass 1 IDiag 1: RMSU= 2.14D-04 CP: 1.00D+00 E= -1682.74662760788 Delta-E= -0.000074016969 Rises=F Damp=T DIIS: error= 4.18D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.74662760788 IErMin= 2 ErrMin= 4.18D-04 ErrMax= 4.18D-04 EMaxC= 1.00D-01 BMatC= 7.01D-05 BMatP= 9.40D-05 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.18D-03 Coeff-Com: 0.450D+00 0.550D+00 Coeff-En: 0.421D+00 0.579D+00 Coeff: 0.450D+00 0.550D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=2.25D-04 MaxDP=3.31D-03 DE=-7.40D-05 OVMax= 1.76D-02 Cycle 3 Pass 1 IDiag 1: RMSU= 2.25D-04 CP: 1.00D+00 1.05D+00 E= -1682.74696743719 Delta-E= -0.000339829309 Rises=F Damp=F DIIS: error= 2.83D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.74696743719 IErMin= 3 ErrMin= 2.83D-04 ErrMax= 2.83D-04 EMaxC= 1.00D-01 BMatC= 6.21D-05 BMatP= 7.01D-05 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.83D-03 Coeff-Com: 0.287D+00 0.367D+00 0.345D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.286D+00 0.366D+00 0.347D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=6.12D-05 MaxDP=9.80D-04 DE=-3.40D-04 OVMax= 2.63D-03 Cycle 4 Pass 1 IDiag 1: RMSU= 4.79D-05 CP: 1.00D+00 9.19D-01 8.88D-01 E= -1682.74702692098 Delta-E= -0.000059483796 Rises=F Damp=F DIIS: error= 4.94D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.74702692098 IErMin= 4 ErrMin= 4.94D-05 ErrMax= 4.94D-05 EMaxC= 1.00D-01 BMatC= 1.47D-06 BMatP= 6.21D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.895D-01 0.553D-01 0.912D-01 0.764D+00 Coeff: 0.895D-01 0.553D-01 0.912D-01 0.764D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=2.66D-05 MaxDP=5.79D-04 DE=-5.95D-05 OVMax= 6.27D-04 Cycle 5 Pass 1 IDiag 1: RMSU= 2.53D-05 CP: 1.00D+00 8.93D-01 8.83D-01 1.13D+00 E= -1682.74702753242 Delta-E= -0.000000611435 Rises=F Damp=F DIIS: error= 7.18D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.74702753242 IErMin= 4 ErrMin= 4.94D-05 ErrMax= 7.18D-05 EMaxC= 1.00D-01 BMatC= 2.54D-06 BMatP= 1.47D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.354D-01-0.365D-02 0.131D-01 0.589D+00 0.366D+00 Coeff: 0.354D-01-0.365D-02 0.131D-01 0.589D+00 0.366D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=1.28D-05 MaxDP=2.77D-04 DE=-6.11D-07 OVMax= 3.32D-04 Cycle 6 Pass 1 IDiag 1: RMSU= 1.18D-05 CP: 1.00D+00 8.96D-01 8.76D-01 1.22D+00 9.50D-01 E= -1682.74702908509 Delta-E= -0.000001552669 Rises=F Damp=F DIIS: error= 2.73D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.74702908509 IErMin= 6 ErrMin= 2.73D-05 ErrMax= 2.73D-05 EMaxC= 1.00D-01 BMatC= 4.00D-07 BMatP= 1.47D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.362D-02-0.123D-01-0.211D-01 0.183D+00 0.305D+00 0.542D+00 Coeff: 0.362D-02-0.123D-01-0.211D-01 0.183D+00 0.305D+00 0.542D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=6.61D-06 MaxDP=1.39D-04 DE=-1.55D-06 OVMax= 2.76D-04 Cycle 7 Pass 1 IDiag 1: RMSU= 5.06D-06 CP: 1.00D+00 8.92D-01 8.79D-01 1.24D+00 9.45D-01 CP: 6.60D-01 E= -1682.74702935763 Delta-E= -0.000000272541 Rises=F Damp=F DIIS: error= 1.52D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.74702935763 IErMin= 7 ErrMin= 1.52D-05 ErrMax= 1.52D-05 EMaxC= 1.00D-01 BMatC= 7.20D-08 BMatP= 4.00D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.101D-02-0.737D-02-0.168D-01 0.531D-01 0.184D+00 0.415D+00 Coeff-Com: 0.373D+00 Coeff: -0.101D-02-0.737D-02-0.168D-01 0.531D-01 0.184D+00 0.415D+00 Coeff: 0.373D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=2.74D-06 MaxDP=4.08D-05 DE=-2.73D-07 OVMax= 1.52D-04 Cycle 8 Pass 1 IDiag 1: RMSU= 1.85D-06 CP: 1.00D+00 8.93D-01 8.80D-01 1.24D+00 9.52D-01 CP: 6.29D-01 6.14D-01 E= -1682.74702943161 Delta-E= -0.000000073981 Rises=F Damp=F DIIS: error= 3.29D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.74702943161 IErMin= 8 ErrMin= 3.29D-06 ErrMax= 3.29D-06 EMaxC= 1.00D-01 BMatC= 7.31D-09 BMatP= 7.20D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.926D-03-0.378D-02-0.843D-02 0.152D-01 0.902D-01 0.226D+00 Coeff-Com: 0.267D+00 0.414D+00 Coeff: -0.926D-03-0.378D-02-0.843D-02 0.152D-01 0.902D-01 0.226D+00 Coeff: 0.267D+00 0.414D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=8.80D-07 MaxDP=1.58D-05 DE=-7.40D-08 OVMax= 3.35D-05 Cycle 9 Pass 1 IDiag 1: RMSU= 7.05D-07 CP: 1.00D+00 8.93D-01 8.81D-01 1.24D+00 9.53D-01 CP: 6.51D-01 6.28D-01 7.69D-01 E= -1682.74702943794 Delta-E= -0.000000006336 Rises=F Damp=F DIIS: error= 1.68D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.74702943794 IErMin= 9 ErrMin= 1.68D-06 ErrMax= 1.68D-06 EMaxC= 1.00D-01 BMatC= 8.23D-10 BMatP= 7.31D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.316D-03-0.459D-03-0.359D-03-0.866D-02 0.459D-02 0.339D-01 Coeff-Com: 0.847D-01 0.261D+00 0.626D+00 Coeff: -0.316D-03-0.459D-03-0.359D-03-0.866D-02 0.459D-02 0.339D-01 Coeff: 0.847D-01 0.261D+00 0.626D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=3.59D-07 MaxDP=5.26D-06 DE=-6.34D-09 OVMax= 1.93D-05 Cycle 10 Pass 1 IDiag 1: RMSU= 3.01D-07 CP: 1.00D+00 8.93D-01 8.80D-01 1.24D+00 9.58D-01 CP: 6.62D-01 6.44D-01 7.64D-01 9.23D-01 E= -1682.74702943885 Delta-E= -0.000000000905 Rises=F Damp=F DIIS: error= 5.26D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.74702943885 IErMin=10 ErrMin= 5.26D-07 ErrMax= 5.26D-07 EMaxC= 1.00D-01 BMatC= 1.60D-10 BMatP= 8.23D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.139D-03 0.127D-04 0.472D-03-0.664D-02-0.503D-02 0.218D-04 Coeff-Com: 0.240D-01 0.130D+00 0.397D+00 0.460D+00 Coeff: -0.139D-03 0.127D-04 0.472D-03-0.664D-02-0.503D-02 0.218D-04 Coeff: 0.240D-01 0.130D+00 0.397D+00 0.460D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=1.69D-07 MaxDP=3.05D-06 DE=-9.05D-10 OVMax= 9.59D-06 Cycle 11 Pass 1 IDiag 1: RMSU= 1.22D-07 CP: 1.00D+00 8.93D-01 8.80D-01 1.24D+00 9.60D-01 CP: 6.63D-01 6.57D-01 7.88D-01 8.94D-01 8.51D-01 E= -1682.74702943896 Delta-E= -0.000000000111 Rises=F Damp=F DIIS: error= 3.28D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.74702943896 IErMin=11 ErrMin= 3.28D-07 ErrMax= 3.28D-07 EMaxC= 1.00D-01 BMatC= 4.22D-11 BMatP= 1.60D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.292D-04 0.162D-03 0.365D-03-0.313D-02-0.436D-02-0.680D-02 Coeff-Com: -0.122D-02 0.430D-01 0.132D+00 0.342D+00 0.498D+00 Coeff: -0.292D-04 0.162D-03 0.365D-03-0.313D-02-0.436D-02-0.680D-02 Coeff: -0.122D-02 0.430D-01 0.132D+00 0.342D+00 0.498D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=9.53D-08 MaxDP=1.51D-06 DE=-1.11D-10 OVMax= 6.30D-06 Cycle 12 Pass 1 IDiag 1: RMSU= 6.92D-08 CP: 1.00D+00 8.93D-01 8.80D-01 1.24D+00 9.61D-01 CP: 6.62D-01 6.53D-01 8.00D-01 8.79D-01 8.78D-01 CP: 6.54D-01 E= -1682.74702943902 Delta-E= -0.000000000057 Rises=F Damp=F DIIS: error= 1.02D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.74702943902 IErMin=12 ErrMin= 1.02D-07 ErrMax= 1.02D-07 EMaxC= 1.00D-01 BMatC= 5.34D-12 BMatP= 4.22D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.736D-05 0.892D-04 0.131D-03-0.673D-03-0.180D-02-0.432D-02 Coeff-Com: -0.492D-02 0.158D-02 0.152D-01 0.115D+00 0.324D+00 0.556D+00 Coeff: 0.736D-05 0.892D-04 0.131D-03-0.673D-03-0.180D-02-0.432D-02 Coeff: -0.492D-02 0.158D-02 0.152D-01 0.115D+00 0.324D+00 0.556D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=3.12D-08 MaxDP=5.78D-07 DE=-5.73D-11 OVMax= 1.20D-06 Cycle 13 Pass 1 IDiag 1: RMSU= 2.25D-08 CP: 1.00D+00 8.93D-01 8.80D-01 1.24D+00 9.61D-01 CP: 6.62D-01 6.55D-01 8.02D-01 8.93D-01 8.87D-01 CP: 7.24D-01 8.65D-01 E= -1682.74702943907 Delta-E= -0.000000000049 Rises=F Damp=F DIIS: error= 4.94D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.74702943907 IErMin=13 ErrMin= 4.94D-08 ErrMax= 4.94D-08 EMaxC= 1.00D-01 BMatC= 1.77D-12 BMatP= 5.34D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.110D-04 0.486D-04 0.446D-04-0.532D-04-0.740D-03-0.233D-02 Coeff-Com: -0.381D-02-0.712D-02-0.106D-01 0.275D-01 0.169D+00 0.421D+00 Coeff-Com: 0.406D+00 Coeff: 0.110D-04 0.486D-04 0.446D-04-0.532D-04-0.740D-03-0.233D-02 Coeff: -0.381D-02-0.712D-02-0.106D-01 0.275D-01 0.169D+00 0.421D+00 Coeff: 0.406D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=1.36D-08 MaxDP=2.49D-07 DE=-4.87D-11 OVMax= 6.94D-07 Cycle 14 Pass 1 IDiag 1: RMSU= 9.26D-09 CP: 1.00D+00 8.93D-01 8.80D-01 1.24D+00 9.61D-01 CP: 6.62D-01 6.56D-01 8.02D-01 9.00D-01 8.92D-01 CP: 7.53D-01 8.61D-01 7.70D-01 E= -1682.74702943903 Delta-E= 0.000000000036 Rises=F Damp=F DIIS: error= 2.01D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=13 EnMin= -1682.74702943907 IErMin=14 ErrMin= 2.01D-08 ErrMax= 2.01D-08 EMaxC= 1.00D-01 BMatC= 1.28D-13 BMatP= 1.77D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.492D-05 0.143D-04-0.429D-05 0.109D-03-0.780D-04-0.509D-03 Coeff-Com: -0.141D-02-0.468D-02-0.103D-01-0.273D-02 0.468D-01 0.168D+00 Coeff-Com: 0.243D+00 0.562D+00 Coeff: 0.492D-05 0.143D-04-0.429D-05 0.109D-03-0.780D-04-0.509D-03 Coeff: -0.141D-02-0.468D-02-0.103D-01-0.273D-02 0.468D-01 0.168D+00 Coeff: 0.243D+00 0.562D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=5.54D-09 MaxDP=1.23D-07 DE= 3.59D-11 OVMax= 3.59D-07 SCF Done: E(RB+HF-LYP) = -1682.74702944 A.U. after 14 cycles Convg = 0.5541D-08 -V/T = 2.4864 S**2 = 0.0000 KE= 1.132117383468D+03 PE=-8.333536607108D+03 EE= 3.406693728271D+03 Leave Link 502 at Sat Apr 12 10:27:55 2008, MaxMem= 12582912 cpu: 291.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.15010665D+02 **** Warning!!: The smallest alpha delta epsilon is 0.76903721D-01 Leave Link 801 at Sat Apr 12 10:27:56 2008, MaxMem= 12582912 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2735 LenP2D= 11351. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Number of processors reduced to 3 by ecpmxn. Leave Link 1101 at Sat Apr 12 10:28:03 2008, MaxMem= 12582912 cpu: 20.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 10. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sat Apr 12 10:28:04 2008, MaxMem= 12582912 cpu: 1.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 12582830. G2DrvN: will do 11 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 Sat Apr 12 10:29:13 2008, MaxMem= 12582912 cpu: 274.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: Closed-shell 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= 12582830 using IRadAn= 2. Generate precomputed XC quadrature information. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 3 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. 2 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 7.27D-16 Conv= 1.00D-12. Inverted reduced A of dimension 53 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.268302D+03 2 -0.420926D+02 0.327416D+03 3 -0.117073D+02 0.284485D+02 0.300693D+03 Isotropic polarizability for W= 0.000000 298.80 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sat Apr 12 10:31:49 2008, MaxMem= 12582912 cpu: 611.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27366 -10.35381 -4.34387 -4.30955 -4.29717 Alpha occ. eigenvalues -- -4.29509 -4.29001 -4.28828 -4.28824 -4.28788 Alpha occ. eigenvalues -- -2.85543 -2.84797 -2.84686 -2.81872 -2.81634 Alpha occ. eigenvalues -- -2.81454 -2.80556 -2.80455 -2.80356 -2.80273 Alpha occ. eigenvalues -- -2.80241 -2.80084 -2.79850 -2.79784 -2.79765 Alpha occ. eigenvalues -- -2.79728 -2.79641 -2.79598 -2.79553 -2.79502 Alpha occ. eigenvalues -- -2.79465 -2.79417 -2.79390 -2.79363 -1.18973 Alpha occ. eigenvalues -- -0.58848 -0.48542 -0.48507 -0.47647 -0.36459 Alpha occ. eigenvalues -- -0.34109 -0.33447 -0.32714 -0.32422 -0.32273 Alpha occ. eigenvalues -- -0.32217 -0.31553 -0.31372 -0.30845 -0.30204 Alpha occ. eigenvalues -- -0.29805 -0.29518 -0.29285 -0.29171 -0.28879 Alpha occ. eigenvalues -- -0.28600 -0.28415 -0.28190 -0.27903 -0.27717 Alpha occ. eigenvalues -- -0.27600 -0.27171 -0.27038 -0.26804 -0.26587 Alpha occ. eigenvalues -- -0.26570 -0.26419 -0.26380 -0.26280 -0.26122 Alpha occ. eigenvalues -- -0.26027 -0.25921 -0.25813 -0.25729 -0.25515 Alpha occ. eigenvalues -- -0.25402 -0.25221 -0.25145 -0.25010 -0.24761 Alpha occ. eigenvalues -- -0.22069 -0.19638 -0.17753 Alpha virt. eigenvalues -- -0.10063 -0.08860 -0.08182 -0.07524 -0.05792 Alpha virt. eigenvalues -- -0.05179 -0.03890 -0.02578 -0.01888 -0.00517 Alpha virt. eigenvalues -- 0.00243 0.01550 0.01871 0.02358 0.02868 Alpha virt. eigenvalues -- 0.03333 0.03449 0.03847 0.04004 0.04090 Alpha virt. eigenvalues -- 0.04674 0.05308 0.05593 0.05788 0.06347 Alpha virt. eigenvalues -- 0.07256 0.07566 0.07872 0.08022 0.08309 Alpha virt. eigenvalues -- 0.08414 0.08624 0.08996 0.09446 0.10240 Alpha virt. eigenvalues -- 0.10308 0.10731 0.12675 0.14171 0.15233 Alpha virt. eigenvalues -- 0.17496 0.18391 0.19763 0.20617 0.22189 Alpha virt. eigenvalues -- 0.24145 0.25478 0.26824 0.27005 0.27888 Alpha virt. eigenvalues -- 0.29247 0.30180 0.31159 0.33089 0.33664 Alpha virt. eigenvalues -- 0.38879 0.41301 0.53556 0.61989 0.64286 Alpha virt. eigenvalues -- 0.64632 0.65524 0.67106 0.67906 0.70970 Alpha virt. eigenvalues -- 0.72062 0.73913 0.74629 0.75086 0.76972 Alpha virt. eigenvalues -- 0.78359 0.78689 0.80462 0.83402 0.84948 Alpha virt. eigenvalues -- 0.85915 0.86756 0.88053 0.89574 0.92872 Alpha virt. eigenvalues -- 0.96158 0.97701 0.99801 1.03401 1.03924 Alpha virt. eigenvalues -- 1.04597 1.06169 1.08679 1.11069 1.13572 Alpha virt. eigenvalues -- 1.18522 1.23413 1.24378 1.26882 1.27284 Alpha virt. eigenvalues -- 1.29371 1.29984 1.30746 1.32502 1.33102 Alpha virt. eigenvalues -- 1.34570 1.37890 1.61198 1.62849 1.85392 Alpha virt. eigenvalues -- 1.87799 1.99072 2.05769 3.09992 4.17471 Alpha virt. eigenvalues -- 10.44350 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.839053 -0.336594 -0.141615 -0.012111 -0.152772 -0.093519 2 Cu -0.336594 19.412293 -0.028174 -0.103714 -0.038545 0.042044 3 Cu -0.141615 -0.028174 18.970360 -0.047065 0.075310 0.065316 4 Cu -0.012111 -0.103714 -0.047065 19.190845 0.026240 -0.093583 5 Cu -0.152772 -0.038545 0.075310 0.026240 19.082625 0.065675 6 Cu -0.093519 0.042044 0.065316 -0.093583 0.065675 19.086862 7 Cu -0.005551 -0.188558 0.106024 -0.067787 -0.011027 -0.003009 8 Cu -0.228154 0.102107 -0.034885 0.084460 0.028382 -0.006619 9 C 0.010253 0.161845 0.006049 0.019982 0.009424 -0.001356 10 O 0.000764 0.040859 -0.006689 -0.005922 -0.010104 -0.000015 7 8 9 10 1 Cu -0.005551 -0.228154 0.010253 0.000764 2 Cu -0.188558 0.102107 0.161845 0.040859 3 Cu 0.106024 -0.034885 0.006049 -0.006689 4 Cu -0.067787 0.084460 0.019982 -0.005922 5 Cu -0.011027 0.028382 0.009424 -0.010104 6 Cu -0.003009 -0.006619 -0.001356 -0.000015 7 Cu 19.205163 -0.004812 0.006986 -0.007587 8 Cu -0.004812 19.033638 -0.003300 -0.000253 9 C 0.006986 -0.003300 5.096209 0.564067 10 O -0.007587 -0.000253 0.564067 7.518018 Mulliken atomic charges: 1 1 Cu 0.120248 2 Cu -0.063562 3 Cu 0.035369 4 Cu 0.008655 5 Cu -0.075209 6 Cu -0.061795 7 Cu -0.029843 8 Cu 0.029436 9 C 0.129841 10 O -0.093139 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.120248 2 Cu -0.063562 3 Cu 0.035369 4 Cu 0.008655 5 Cu -0.075209 6 Cu -0.061795 7 Cu -0.029843 8 Cu 0.029436 9 C 0.129841 10 O -0.093139 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.078181 2 Cu -0.160755 3 Cu -0.016262 4 Cu -0.011703 5 Cu -0.022420 6 Cu -0.005103 7 Cu -0.082413 8 Cu 0.015160 9 C 1.195002 10 O -0.989685 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.078181 2 Cu -0.160755 3 Cu -0.016262 4 Cu -0.011703 5 Cu -0.022420 6 Cu -0.005103 7 Cu -0.082413 8 Cu 0.015160 9 C 1.195002 10 O -0.989685 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4066.1712 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 1.3689 Y= -0.2322 Z= -0.2112 Tot= 1.4044 Quadrupole moment (field-independent basis, Debye-Ang): XX= -117.0157 YY= -120.9032 ZZ= -106.9399 XY= -3.1303 XZ= -0.4869 YZ= 0.9678 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -2.0628 YY= -5.9503 ZZ= 8.0130 XY= -3.1303 XZ= -0.4869 YZ= 0.9678 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 50.7872 YYY= 308.8002 ZZZ= -98.0945 XYY= 11.6251 XXY= 94.0107 XXZ= -39.2351 XZZ= 21.8308 YZZ= 88.4522 YYZ= -31.4446 XYZ= -3.0986 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1086.3153 YYYY= -2772.7618 ZZZZ= -1400.8677 XXXY= 248.5846 XXXZ= 98.9639 YYYX= 317.0226 YYYZ= -162.1924 ZZZX= 105.1840 ZZZY= -119.1390 XXYY= -601.2512 XXZZ= -406.4231 YYZZ= -650.4610 XXYZ= -50.4135 YYXZ= 52.3590 ZZXY= 78.9405 N-N= 2.111978465931D+03 E-N=-8.333536598235D+03 KE= 1.132117383468D+03 Exact polarizability: 268.302 -42.093 327.416 -11.707 28.448 300.693 Approx polarizability: 610.274-116.261 757.663 -6.514 68.002 715.945 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sat Apr 12 10:31:50 2008, MaxMem= 12582912 cpu: 1.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 5.38547749D-01-9.13693461D-02-8.30773775D-02 Polarizability= 2.68301952D+02-4.20926093D+01 3.27416347D+02 -1.17073268D+01 2.84484859D+01 3.00693087D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000233175 0.000036128 -0.000195189 2 29 -0.000073912 0.000204096 -0.000144709 3 29 -0.000036548 0.000113535 0.000071091 4 29 0.000101156 0.000068448 -0.000003287 5 29 -0.000037583 -0.000023779 0.000167685 6 29 -0.000005326 -0.000233198 0.000105819 7 29 -0.000256011 0.000077097 0.000234052 8 29 -0.000020838 0.000012627 -0.000176934 9 6 0.000495232 -0.001620056 -0.000462781 10 8 -0.000399345 0.001365102 0.000404252 ------------------------------------------------------------------- Cartesian Forces: Max 0.001620056 RMS 0.000436666 Leave Link 716 at Sat Apr 12 10:31:50 2008, MaxMem= 12582912 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 Sat Apr 12 10:31:50 2008, MaxMem= 12582912 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. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2111.9060346546 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= 10 NActive= 10 NUniq= 10 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sat Apr 12 10:31:51 2008, MaxMem= 12582912 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= 2775 NPrTT= 15425 LenC2= 2735 LenP2D= 11351. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 194 RedAO= T NBF= 194 NBsUse= 194 1.00D-06 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 616 NPtTot= 106390 NUsed= 110743 NTot= 110775 NSgBfM= 210 210 210 210. Leave Link 302 at Sat Apr 12 10:31:55 2008, MaxMem= 12582912 cpu: 9.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2111.4513491336 hartrees. Leave Link 303 at Sat Apr 12 10:31:55 2008, MaxMem= 12582912 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. Leave Link 401 at Sat Apr 12 10:31:56 2008, MaxMem= 12582912 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed 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. 110742 words used for storage of precomputed grid. IEnd= 284425 IEndB= 284425 NGot= 12582912 MDV= 12359438 LenX= 12359438 Fock matrices will be formed incrementally for 20 cycles. Cycle 1 Pass 1 IDiag 1: 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. E= -1682.74651276570 DIIS: error= 1.07D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.74651276570 IErMin= 1 ErrMin= 1.07D-03 ErrMax= 1.07D-03 EMaxC= 1.00D-01 BMatC= 1.11D-04 BMatP= 1.11D-04 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.07D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.081 Goal= None Shift= 0.000 GapD= 0.081 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.77D-04 MaxDP=6.17D-03 OVMax= 5.13D-02 Cycle 2 Pass 1 IDiag 1: RMSU= 2.39D-04 CP: 1.00D+00 E= -1682.74661169266 Delta-E= -0.000098926965 Rises=F Damp=T DIIS: error= 4.63D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.74661169266 IErMin= 2 ErrMin= 4.63D-04 ErrMax= 4.63D-04 EMaxC= 1.00D-01 BMatC= 9.02D-05 BMatP= 1.11D-04 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.63D-03 Coeff-Com: 0.463D+00 0.537D+00 Coeff-En: 0.413D+00 0.587D+00 Coeff: 0.463D+00 0.537D+00 Gap= 0.079 Goal= None Shift= 0.000 RMSDP=2.15D-04 MaxDP=5.79D-03 DE=-9.89D-05 OVMax= 2.18D-02 Cycle 3 Pass 1 IDiag 1: RMSU= 2.13D-04 CP: 1.00D+00 1.11D+00 E= -1682.74702736559 Delta-E= -0.000415672924 Rises=F Damp=F DIIS: error= 3.05D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.74702736559 IErMin= 3 ErrMin= 3.05D-04 ErrMax= 3.05D-04 EMaxC= 1.00D-01 BMatC= 5.13D-05 BMatP= 9.02D-05 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.05D-03 Coeff-Com: 0.314D+00 0.272D+00 0.414D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.313D+00 0.272D+00 0.416D+00 Gap= 0.078 Goal= None Shift= 0.000 RMSDP=7.27D-05 MaxDP=1.21D-03 DE=-4.16D-04 OVMax= 3.76D-03 Cycle 4 Pass 1 IDiag 1: RMSU= 5.79D-05 CP: 1.00D+00 9.84D-01 8.53D-01 E= -1682.74708494034 Delta-E= -0.000057574759 Rises=F Damp=F DIIS: error= 1.18D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.74708494034 IErMin= 4 ErrMin= 1.18D-04 ErrMax= 1.18D-04 EMaxC= 1.00D-01 BMatC= 1.20D-05 BMatP= 5.13D-05 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.18D-03 Coeff-Com: 0.138D+00-0.324D-01 0.282D+00 0.612D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.138D+00-0.324D-01 0.282D+00 0.612D+00 Gap= 0.078 Goal= None Shift= 0.000 RMSDP=3.45D-05 MaxDP=6.28D-04 DE=-5.76D-05 OVMax= 1.53D-03 Cycle 5 Pass 1 IDiag 1: RMSU= 2.69D-05 CP: 1.00D+00 9.24D-01 9.29D-01 9.87D-01 E= -1682.74709415122 Delta-E= -0.000009210872 Rises=F Damp=F DIIS: error= 1.01D-04 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.74709415122 IErMin= 5 ErrMin= 1.01D-04 ErrMax= 1.01D-04 EMaxC= 1.00D-01 BMatC= 4.18D-06 BMatP= 1.20D-05 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.01D-03 Coeff-Com: 0.801D-01-0.547D-01 0.163D+00 0.476D+00 0.335D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.195D+00 0.805D+00 Coeff: 0.800D-01-0.546D-01 0.163D+00 0.476D+00 0.336D+00 Gap= 0.078 Goal= None Shift= 0.000 RMSDP=1.62D-05 MaxDP=3.30D-04 DE=-9.21D-06 OVMax= 4.20D-04 Cycle 6 Pass 1 IDiag 1: RMSU= 1.49D-05 CP: 1.00D+00 9.37D-01 9.10D-01 1.04D+00 9.17D-01 E= -1682.74709703120 Delta-E= -0.000002879982 Rises=F Damp=F DIIS: error= 2.60D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.74709703120 IErMin= 6 ErrMin= 2.60D-05 ErrMax= 2.60D-05 EMaxC= 1.00D-01 BMatC= 3.91D-07 BMatP= 4.18D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.138D-01-0.196D-01 0.132D-01 0.119D+00 0.259D+00 0.615D+00 Coeff: 0.138D-01-0.196D-01 0.132D-01 0.119D+00 0.259D+00 0.615D+00 Gap= 0.078 Goal= None Shift= 0.000 RMSDP=7.32D-06 MaxDP=2.14D-04 DE=-2.88D-06 OVMax= 2.28D-04 Cycle 7 Pass 1 IDiag 1: RMSU= 5.36D-06 CP: 1.00D+00 9.33D-01 9.18D-01 1.08D+00 8.90D-01 CP: 7.45D-01 E= -1682.74709730283 Delta-E= -0.000000271636 Rises=F Damp=F DIIS: error= 1.49D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.74709730283 IErMin= 7 ErrMin= 1.49D-05 ErrMax= 1.49D-05 EMaxC= 1.00D-01 BMatC= 1.07D-07 BMatP= 3.91D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.105D-02-0.768D-02-0.105D-01 0.283D-01 0.168D+00 0.475D+00 Coeff-Com: 0.346D+00 Coeff: 0.105D-02-0.768D-02-0.105D-01 0.283D-01 0.168D+00 0.475D+00 Coeff: 0.346D+00 Gap= 0.078 Goal= None Shift= 0.000 RMSDP=2.95D-06 MaxDP=5.28D-05 DE=-2.72D-07 OVMax= 9.15D-05 Cycle 8 Pass 1 IDiag 1: RMSU= 2.15D-06 CP: 1.00D+00 9.32D-01 9.18D-01 1.08D+00 9.17D-01 CP: 7.24D-01 6.57D-01 E= -1682.74709739071 Delta-E= -0.000000087877 Rises=F Damp=F DIIS: error= 3.73D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.74709739071 IErMin= 8 ErrMin= 3.73D-06 ErrMax= 3.73D-06 EMaxC= 1.00D-01 BMatC= 6.21D-09 BMatP= 1.07D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.111D-02-0.200D-02-0.821D-02-0.159D-02 0.736D-01 0.218D+00 Coeff-Com: 0.213D+00 0.508D+00 Coeff: -0.111D-02-0.200D-02-0.821D-02-0.159D-02 0.736D-01 0.218D+00 Coeff: 0.213D+00 0.508D+00 Gap= 0.078 Goal= None Shift= 0.000 RMSDP=8.99D-07 MaxDP=1.25D-05 DE=-8.79D-08 OVMax= 5.22D-05 Cycle 9 Pass 1 IDiag 1: RMSU= 7.76D-07 CP: 1.00D+00 9.33D-01 9.18D-01 1.08D+00 9.31D-01 CP: 7.29D-01 6.37D-01 9.17D-01 E= -1682.74709739648 Delta-E= -0.000000005770 Rises=F Damp=F DIIS: error= 2.12D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.74709739648 IErMin= 9 ErrMin= 2.12D-06 ErrMax= 2.12D-06 EMaxC= 1.00D-01 BMatC= 1.67D-09 BMatP= 6.21D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.104D-02-0.105D-03-0.418D-02-0.767D-02 0.216D-01 0.712D-01 Coeff-Com: 0.949D-01 0.368D+00 0.457D+00 Coeff: -0.104D-02-0.105D-03-0.418D-02-0.767D-02 0.216D-01 0.712D-01 Coeff: 0.949D-01 0.368D+00 0.457D+00 Gap= 0.078 Goal= None Shift= 0.000 RMSDP=4.13D-07 MaxDP=7.33D-06 DE=-5.77D-09 OVMax= 1.71D-05 Cycle 10 Pass 1 IDiag 1: RMSU= 3.20D-07 CP: 1.00D+00 9.33D-01 9.18D-01 1.08D+00 9.36D-01 CP: 7.34D-01 6.35D-01 9.30D-01 7.37D-01 E= -1682.74709739769 Delta-E= -0.000000001211 Rises=F Damp=F DIIS: error= 8.00D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.74709739769 IErMin=10 ErrMin= 8.00D-07 ErrMax= 8.00D-07 EMaxC= 1.00D-01 BMatC= 2.60D-10 BMatP= 1.67D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.472D-03 0.169D-03-0.116D-02-0.485D-02-0.406D-03 0.427D-02 Coeff-Com: 0.261D-01 0.160D+00 0.314D+00 0.503D+00 Coeff: -0.472D-03 0.169D-03-0.116D-02-0.485D-02-0.406D-03 0.427D-02 Coeff: 0.261D-01 0.160D+00 0.314D+00 0.503D+00 Gap= 0.078 Goal= None Shift= 0.000 RMSDP=2.15D-07 MaxDP=6.37D-06 DE=-1.21D-09 OVMax= 1.11D-05 Cycle 11 Pass 1 IDiag 1: RMSU= 1.56D-07 CP: 1.00D+00 9.33D-01 9.18D-01 1.08D+00 9.38D-01 CP: 7.39D-01 6.52D-01 9.38D-01 7.72D-01 8.54D-01 E= -1682.74709739803 Delta-E= -0.000000000336 Rises=F Damp=F DIIS: error= 1.84D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.74709739803 IErMin=11 ErrMin= 1.84D-07 ErrMax= 1.84D-07 EMaxC= 1.00D-01 BMatC= 2.54D-11 BMatP= 2.60D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.211D-04 0.588D-04 0.905D-04-0.814D-03-0.322D-02-0.902D-02 Coeff-Com: -0.117D-02 0.140D-01 0.441D-01 0.263D+00 0.693D+00 Coeff: -0.211D-04 0.588D-04 0.905D-04-0.814D-03-0.322D-02-0.902D-02 Coeff: -0.117D-02 0.140D-01 0.441D-01 0.263D+00 0.693D+00 Gap= 0.078 Goal= None Shift= 0.000 RMSDP=8.92D-08 MaxDP=1.79D-06 DE=-3.36D-10 OVMax= 6.53D-06 Cycle 12 Pass 1 IDiag 1: RMSU= 6.33D-08 CP: 1.00D+00 9.33D-01 9.18D-01 1.08D+00 9.38D-01 CP: 7.38D-01 6.56D-01 9.51D-01 7.57D-01 9.52D-01 CP: 8.25D-01 E= -1682.74709739806 Delta-E= -0.000000000030 Rises=F Damp=F DIIS: error= 1.82D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.74709739806 IErMin=12 ErrMin= 1.82D-07 ErrMax= 1.82D-07 EMaxC= 1.00D-01 BMatC= 9.67D-12 BMatP= 2.54D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.501D-04 0.307D-04 0.240D-03-0.411D-04-0.231D-02-0.730D-02 Coeff-Com: -0.402D-02-0.965D-02-0.341D-02 0.115D+00 0.486D+00 0.425D+00 Coeff: 0.501D-04 0.307D-04 0.240D-03-0.411D-04-0.231D-02-0.730D-02 Coeff: -0.402D-02-0.965D-02-0.341D-02 0.115D+00 0.486D+00 0.425D+00 Gap= 0.078 Goal= None Shift= 0.000 RMSDP=3.10D-08 MaxDP=6.65D-07 DE=-3.05D-11 OVMax= 1.57D-06 Cycle 13 Pass 1 IDiag 1: RMSU= 2.27D-08 CP: 1.00D+00 9.33D-01 9.18D-01 1.08D+00 9.37D-01 CP: 7.38D-01 6.58D-01 9.50D-01 7.70D-01 9.66D-01 CP: 8.31D-01 8.85D-01 E= -1682.74709739807 Delta-E= -0.000000000010 Rises=F Damp=F DIIS: error= 4.64D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.74709739807 IErMin=13 ErrMin= 4.64D-08 ErrMax= 4.64D-08 EMaxC= 1.00D-01 BMatC= 1.14D-12 BMatP= 9.67D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.315D-04 0.842D-05 0.123D-03 0.867D-04-0.873D-03-0.288D-02 Coeff-Com: -0.239D-02-0.816D-02-0.756D-02 0.246D-01 0.194D+00 0.285D+00 Coeff-Com: 0.519D+00 Coeff: 0.315D-04 0.842D-05 0.123D-03 0.867D-04-0.873D-03-0.288D-02 Coeff: -0.239D-02-0.816D-02-0.756D-02 0.246D-01 0.194D+00 0.285D+00 Coeff: 0.519D+00 Gap= 0.078 Goal= None Shift= 0.000 RMSDP=1.48D-08 MaxDP=2.32D-07 DE=-1.05D-11 OVMax= 9.01D-07 Cycle 14 Pass 1 IDiag 1: RMSU= 1.01D-08 CP: 1.00D+00 9.33D-01 9.18D-01 1.08D+00 9.37D-01 CP: 7.38D-01 6.58D-01 9.51D-01 7.78D-01 9.62D-01 CP: 8.65D-01 8.35D-01 8.34D-01 E= -1682.74709739811 Delta-E= -0.000000000037 Rises=F Damp=F DIIS: error= 2.34D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1682.74709739811 IErMin=14 ErrMin= 2.34D-08 ErrMax= 2.34D-08 EMaxC= 1.00D-01 BMatC= 1.91D-13 BMatP= 1.14D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.987D-05 0.105D-05 0.266D-04 0.783D-04-0.853D-04-0.303D-03 Coeff-Com: -0.964D-03-0.321D-02-0.638D-02-0.797D-02 0.272D-01 0.982D-01 Coeff-Com: 0.312D+00 0.582D+00 Coeff: 0.987D-05 0.105D-05 0.266D-04 0.783D-04-0.853D-04-0.303D-03 Coeff: -0.964D-03-0.321D-02-0.638D-02-0.797D-02 0.272D-01 0.982D-01 Coeff: 0.312D+00 0.582D+00 Gap= 0.078 Goal= None Shift= 0.000 RMSDP=7.38D-09 MaxDP=1.22D-07 DE=-3.73D-11 OVMax= 5.28D-07 SCF Done: E(RB+HF-LYP) = -1682.74709740 A.U. after 14 cycles Convg = 0.7377D-08 -V/T = 2.4864 S**2 = 0.0000 KE= 1.132109238322D+03 PE=-8.332954975986D+03 EE= 3.406647291132D+03 Leave Link 502 at Sat Apr 12 10:33:12 2008, MaxMem= 12582912 cpu: 293.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.16148124D+02 **** Warning!!: The smallest alpha delta epsilon is 0.78007743D-01 Leave Link 801 at Sat Apr 12 10:33:12 2008, MaxMem= 12582912 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2735 LenP2D= 11351. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Number of processors reduced to 3 by ecpmxn. Leave Link 1101 at Sat Apr 12 10:33:20 2008, MaxMem= 12582912 cpu: 20.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 10. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sat Apr 12 10:33:20 2008, MaxMem= 12582912 cpu: 0.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 12582830. G2DrvN: will do 11 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 Sat Apr 12 10:34:32 2008, MaxMem= 12582912 cpu: 276.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: Closed-shell 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= 12582830 using IRadAn= 2. Generate precomputed XC quadrature information. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 3 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. 2 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 6.74D-16 Conv= 1.00D-12. Inverted reduced A of dimension 53 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.266915D+03 2 -0.415794D+02 0.328794D+03 3 -0.125183D+02 0.295440D+02 0.303338D+03 Isotropic polarizability for W= 0.000000 299.68 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sat Apr 12 10:37:09 2008, MaxMem= 12582912 cpu: 610.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26893 -10.34889 -4.34035 -4.30765 -4.29441 Alpha occ. eigenvalues -- -4.29212 -4.28739 -4.28584 -4.28565 -4.28532 Alpha occ. eigenvalues -- -2.85182 -2.84452 -2.84343 -2.81678 -2.81440 Alpha occ. eigenvalues -- -2.81265 -2.80276 -2.80184 -2.80076 -2.79986 Alpha occ. eigenvalues -- -2.79948 -2.79789 -2.79585 -2.79538 -2.79505 Alpha occ. eigenvalues -- -2.79465 -2.79385 -2.79337 -2.79300 -2.79235 Alpha occ. eigenvalues -- -2.79217 -2.79151 -2.79151 -2.79108 -1.18430 Alpha occ. eigenvalues -- -0.58245 -0.47951 -0.47915 -0.47174 -0.36196 Alpha occ. eigenvalues -- -0.33815 -0.33149 -0.32434 -0.32125 -0.31972 Alpha occ. eigenvalues -- -0.31933 -0.31256 -0.31127 -0.30579 -0.29942 Alpha occ. eigenvalues -- -0.29545 -0.29253 -0.29021 -0.28902 -0.28622 Alpha occ. eigenvalues -- -0.28333 -0.28159 -0.27924 -0.27649 -0.27466 Alpha occ. eigenvalues -- -0.27339 -0.26905 -0.26778 -0.26540 -0.26334 Alpha occ. eigenvalues -- -0.26306 -0.26163 -0.26116 -0.26024 -0.25863 Alpha occ. eigenvalues -- -0.25756 -0.25657 -0.25556 -0.25469 -0.25254 Alpha occ. eigenvalues -- -0.25143 -0.24967 -0.24885 -0.24756 -0.24511 Alpha occ. eigenvalues -- -0.21819 -0.19371 -0.17515 Alpha virt. eigenvalues -- -0.09714 -0.08470 -0.07868 -0.07249 -0.05514 Alpha virt. eigenvalues -- -0.05020 -0.03651 -0.02337 -0.01639 -0.00166 Alpha virt. eigenvalues -- 0.00499 0.01711 0.02205 0.02687 0.02816 Alpha virt. eigenvalues -- 0.03514 0.03814 0.04136 0.04414 0.04610 Alpha virt. eigenvalues -- 0.04740 0.05263 0.05991 0.06071 0.06318 Alpha virt. eigenvalues -- 0.07491 0.07816 0.07870 0.08162 0.08727 Alpha virt. eigenvalues -- 0.08893 0.09137 0.09194 0.09508 0.10454 Alpha virt. eigenvalues -- 0.10655 0.10897 0.12799 0.14300 0.15205 Alpha virt. eigenvalues -- 0.17665 0.18657 0.20156 0.21104 0.22494 Alpha virt. eigenvalues -- 0.24409 0.25788 0.27006 0.27132 0.28159 Alpha virt. eigenvalues -- 0.29525 0.30455 0.31503 0.33363 0.33839 Alpha virt. eigenvalues -- 0.39422 0.41960 0.54229 0.62263 0.64551 Alpha virt. eigenvalues -- 0.65007 0.65875 0.67729 0.68293 0.71346 Alpha virt. eigenvalues -- 0.72500 0.74218 0.75026 0.75422 0.77291 Alpha virt. eigenvalues -- 0.78638 0.79071 0.80762 0.83774 0.85206 Alpha virt. eigenvalues -- 0.86285 0.87052 0.88360 0.89855 0.93128 Alpha virt. eigenvalues -- 0.96417 0.97902 1.00059 1.03673 1.04186 Alpha virt. eigenvalues -- 1.04849 1.06409 1.08954 1.11306 1.13833 Alpha virt. eigenvalues -- 1.18782 1.23680 1.24661 1.27129 1.27556 Alpha virt. eigenvalues -- 1.29638 1.30238 1.30976 1.32793 1.33360 Alpha virt. eigenvalues -- 1.34834 1.38155 1.61706 1.63036 1.85684 Alpha virt. eigenvalues -- 1.87999 1.99383 2.06158 3.10158 4.17567 Alpha virt. eigenvalues -- 10.44794 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.891395 -0.343234 -0.141417 -0.018629 -0.157144 -0.098365 2 Cu -0.343234 19.403226 -0.026331 -0.101814 -0.035602 0.042897 3 Cu -0.141417 -0.026331 18.986774 -0.045563 0.076482 0.064977 4 Cu -0.018629 -0.101814 -0.045563 19.168371 0.026404 -0.090489 5 Cu -0.157144 -0.035602 0.076482 0.026404 19.085961 0.065982 6 Cu -0.098365 0.042897 0.064977 -0.090489 0.065982 19.087295 7 Cu -0.010014 -0.179734 0.106115 -0.065966 -0.010690 -0.002604 8 Cu -0.226510 0.104735 -0.034476 0.083957 0.028109 -0.007303 9 C 0.009550 0.159039 0.005806 0.020021 0.009691 -0.001419 10 O 0.000841 0.040131 -0.006614 -0.005719 -0.009839 -0.000013 7 8 9 10 1 Cu -0.010014 -0.226510 0.009550 0.000841 2 Cu -0.179734 0.104735 0.159039 0.040131 3 Cu 0.106115 -0.034476 0.005806 -0.006614 4 Cu -0.065966 0.083957 0.020021 -0.005719 5 Cu -0.010690 0.028109 0.009691 -0.009839 6 Cu -0.002604 -0.007303 -0.001419 -0.000013 7 Cu 19.164653 -0.006872 0.007011 -0.007148 8 Cu -0.006872 19.051078 -0.003380 -0.000243 9 C 0.007011 -0.003380 5.095015 0.566912 10 O -0.007148 -0.000243 0.566912 7.503169 Mulliken atomic charges: 1 1 Cu 0.093526 2 Cu -0.063314 3 Cu 0.014248 4 Cu 0.029427 5 Cu -0.079355 6 Cu -0.060959 7 Cu 0.005248 8 Cu 0.010904 9 C 0.131753 10 O -0.081477 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.093526 2 Cu -0.063314 3 Cu 0.014248 4 Cu 0.029427 5 Cu -0.079355 6 Cu -0.060959 7 Cu 0.005248 8 Cu 0.010904 9 C 0.131753 10 O -0.081477 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.073108 2 Cu -0.151837 3 Cu -0.039179 4 Cu 0.000927 5 Cu -0.027567 6 Cu -0.005675 7 Cu -0.067884 8 Cu -0.003426 9 C 1.171436 10 O -0.949903 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.073108 2 Cu -0.151837 3 Cu -0.039179 4 Cu 0.000927 5 Cu -0.027567 6 Cu -0.005675 7 Cu -0.067884 8 Cu -0.003426 9 C 1.171436 10 O -0.949903 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4064.7466 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2859 Y= -1.6061 Z= -0.2924 Tot= 1.6573 Quadrupole moment (field-independent basis, Debye-Ang): XX= -116.3807 YY= -118.7428 ZZ= -107.8192 XY= -2.5971 XZ= -0.5452 YZ= 0.2991 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -2.0664 YY= -4.4286 ZZ= 6.4950 XY= -2.5971 XZ= -0.5452 YZ= 0.2991 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 41.3349 YYY= 290.1475 ZZZ= -99.3571 XYY= 10.5061 XXY= 90.5224 XXZ= -38.3348 XZZ= 17.5428 YZZ= 84.0860 YYZ= -33.1709 XYZ= -2.5348 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1074.5579 YYYY= -2712.7461 ZZZZ= -1414.1512 XXXY= 254.6019 XXXZ= 99.1682 YYYX= 313.8982 YYYZ= -164.7854 ZZZX= 104.8095 ZZZY= -126.9565 XXYY= -594.5189 XXZZ= -407.5324 YYZZ= -650.2285 XXYZ= -51.8660 YYXZ= 50.0614 ZZXY= 81.3197 N-N= 2.111451349134D+03 E-N=-8.332954969818D+03 KE= 1.132109238322D+03 Exact polarizability: 266.915 -41.579 328.794 -12.518 29.544 303.338 Approx polarizability: 607.112-110.737 751.071 -6.689 67.117 719.518 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sat Apr 12 10:37:10 2008, MaxMem= 12582912 cpu: 1.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 1.12464216D-01-6.31889785D-01-1.15022435D-01 Polarizability= 2.66915135D+02-4.15793673D+01 3.28794097D+02 -1.25182786D+01 2.95440457D+01 3.03338090D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000038445 -0.000157318 -0.000174014 2 29 0.000179891 0.000720054 0.000004272 3 29 -0.000006899 0.000281746 0.000039450 4 29 0.000025363 0.000230195 -0.000153984 5 29 0.000004150 0.000133764 0.000207413 6 29 0.000070002 -0.000180931 0.000037471 7 29 -0.000468161 0.000034703 0.000393321 8 29 0.000125761 -0.000057554 -0.000235209 9 6 0.000800270 -0.005805004 -0.000902700 10 8 -0.000768821 0.004800344 0.000783980 ------------------------------------------------------------------- Cartesian Forces: Max 0.005805004 RMS 0.001422645 Leave Link 716 at Sat Apr 12 10:37:10 2008, MaxMem= 12582912 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 Sat Apr 12 10:37:10 2008, MaxMem= 12582912 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. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2111.9060346546 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= 10 NActive= 10 NUniq= 10 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sat Apr 12 10:37:11 2008, MaxMem= 12582912 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= 2775 NPrTT= 15425 LenC2= 2735 LenP2D= 11351. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 194 RedAO= T NBF= 194 NBsUse= 194 1.00D-06 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 616 NPtTot= 106390 NUsed= 110743 NTot= 110775 NSgBfM= 210 210 210 210. Leave Link 302 at Sat Apr 12 10:37:14 2008, MaxMem= 12582912 cpu: 9.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2112.3607201755 hartrees. Leave Link 303 at Sat Apr 12 10:37:14 2008, MaxMem= 12582912 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. Leave Link 401 at Sat Apr 12 10:37:15 2008, MaxMem= 12582912 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed 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. 110742 words used for storage of precomputed grid. IEnd= 284425 IEndB= 284425 NGot= 12582912 MDV= 12359438 LenX= 12359438 Fock matrices will be formed incrementally for 20 cycles. Cycle 1 Pass 1 IDiag 1: 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. E= -1682.74646533838 DIIS: error= 1.07D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.74646533838 IErMin= 1 ErrMin= 1.07D-03 ErrMax= 1.07D-03 EMaxC= 1.00D-01 BMatC= 1.11D-04 BMatP= 1.11D-04 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.07D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.072 Goal= None Shift= 0.000 GapD= 0.072 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=5.05D-04 MaxDP=6.33D-03 OVMax= 5.60D-02 Cycle 2 Pass 1 IDiag 1: RMSU= 2.52D-04 CP: 1.00D+00 E= -1682.74651037481 Delta-E= -0.000045036435 Rises=F Damp=T DIIS: error= 5.42D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.74651037481 IErMin= 2 ErrMin= 5.42D-04 ErrMax= 5.42D-04 EMaxC= 1.00D-01 BMatC= 1.10D-04 BMatP= 1.11D-04 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.42D-03 Coeff-Com: 0.498D+00 0.502D+00 Coeff-En: 0.465D+00 0.535D+00 Coeff: 0.498D+00 0.502D+00 Gap= 0.075 Goal= None Shift= 0.000 RMSDP=2.09D-04 MaxDP=5.69D-03 DE=-4.50D-05 OVMax= 2.59D-02 Cycle 3 Pass 1 IDiag 1: RMSU= 2.08D-04 CP: 1.00D+00 1.08D+00 E= -1682.74697312046 Delta-E= -0.000462745651 Rises=F Damp=F DIIS: error= 3.33D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.74697312046 IErMin= 3 ErrMin= 3.33D-04 ErrMax= 3.33D-04 EMaxC= 1.00D-01 BMatC= 4.68D-05 BMatP= 1.10D-04 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.33D-03 Coeff-Com: 0.329D+00 0.220D+00 0.451D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.328D+00 0.219D+00 0.453D+00 Gap= 0.075 Goal= None Shift= 0.000 RMSDP=7.40D-05 MaxDP=1.38D-03 DE=-4.63D-04 OVMax= 4.33D-03 Cycle 4 Pass 1 IDiag 1: RMSU= 6.04D-05 CP: 1.00D+00 9.35D-01 8.85D-01 E= -1682.74703602517 Delta-E= -0.000062904710 Rises=F Damp=F DIIS: error= 1.69D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.74703602517 IErMin= 4 ErrMin= 1.69D-04 ErrMax= 1.69D-04 EMaxC= 1.00D-01 BMatC= 1.27D-05 BMatP= 4.68D-05 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.69D-03 Coeff-Com: 0.146D+00-0.425D-01 0.306D+00 0.590D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.146D+00-0.424D-01 0.305D+00 0.591D+00 Gap= 0.075 Goal= None Shift= 0.000 RMSDP=3.45D-05 MaxDP=5.89D-04 DE=-6.29D-05 OVMax= 1.39D-03 Cycle 5 Pass 1 IDiag 1: RMSU= 2.71D-05 CP: 1.00D+00 8.88D-01 9.67D-01 9.20D-01 E= -1682.74704605227 Delta-E= -0.000010027095 Rises=F Damp=F DIIS: error= 6.97D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.74704605227 IErMin= 5 ErrMin= 6.97D-05 ErrMax= 6.97D-05 EMaxC= 1.00D-01 BMatC= 2.78D-06 BMatP= 1.27D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.765D-01-0.552D-01 0.159D+00 0.434D+00 0.386D+00 Coeff: 0.765D-01-0.552D-01 0.159D+00 0.434D+00 0.386D+00 Gap= 0.075 Goal= None Shift= 0.000 RMSDP=1.60D-05 MaxDP=2.82D-04 DE=-1.00D-05 OVMax= 4.44D-04 Cycle 6 Pass 1 IDiag 1: RMSU= 1.48D-05 CP: 1.00D+00 8.95D-01 9.47D-01 9.80D-01 9.40D-01 E= -1682.74704787642 Delta-E= -0.000001824145 Rises=F Damp=F DIIS: error= 3.32D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.74704787642 IErMin= 6 ErrMin= 3.32D-05 ErrMax= 3.32D-05 EMaxC= 1.00D-01 BMatC= 6.28D-07 BMatP= 2.78D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.258D-01-0.290D-01 0.419D-01 0.190D+00 0.336D+00 0.435D+00 Coeff: 0.258D-01-0.290D-01 0.419D-01 0.190D+00 0.336D+00 0.435D+00 Gap= 0.075 Goal= None Shift= 0.000 RMSDP=6.79D-06 MaxDP=1.59D-04 DE=-1.82D-06 OVMax= 2.57D-04 Cycle 7 Pass 1 IDiag 1: RMSU= 5.19D-06 CP: 1.00D+00 8.90D-01 9.53D-01 1.01D+00 8.99D-01 CP: 7.84D-01 E= -1682.74704833460 Delta-E= -0.000000458183 Rises=F Damp=F DIIS: error= 1.02D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.74704833460 IErMin= 7 ErrMin= 1.02D-05 ErrMax= 1.02D-05 EMaxC= 1.00D-01 BMatC= 9.47D-08 BMatP= 6.28D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.295D-02-0.999D-02-0.557D-02 0.475D-01 0.198D+00 0.308D+00 Coeff-Com: 0.459D+00 Coeff: 0.295D-02-0.999D-02-0.557D-02 0.475D-01 0.198D+00 0.308D+00 Coeff: 0.459D+00 Gap= 0.075 Goal= None Shift= 0.000 RMSDP=3.06D-06 MaxDP=5.02D-05 DE=-4.58D-07 OVMax= 1.12D-04 Cycle 8 Pass 1 IDiag 1: RMSU= 2.43D-06 CP: 1.00D+00 8.90D-01 9.53D-01 1.02D+00 9.35D-01 CP: 7.25D-01 7.56D-01 E= -1682.74704839702 Delta-E= -0.000000062426 Rises=F Damp=F DIIS: error= 5.32D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.74704839702 IErMin= 8 ErrMin= 5.32D-06 ErrMax= 5.32D-06 EMaxC= 1.00D-01 BMatC= 2.38D-08 BMatP= 9.47D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.840D-03-0.248D-02-0.881D-02 0.481D-02 0.982D-01 0.148D+00 Coeff-Com: 0.356D+00 0.404D+00 Coeff: -0.840D-03-0.248D-02-0.881D-02 0.481D-02 0.982D-01 0.148D+00 Coeff: 0.356D+00 0.404D+00 Gap= 0.075 Goal= None Shift= 0.000 RMSDP=1.41D-06 MaxDP=2.46D-05 DE=-6.24D-08 OVMax= 8.07D-05 Cycle 9 Pass 1 IDiag 1: RMSU= 1.02D-06 CP: 1.00D+00 8.90D-01 9.55D-01 1.02D+00 9.37D-01 CP: 7.02D-01 7.55D-01 6.82D-01 E= -1682.74704841884 Delta-E= -0.000000021819 Rises=F Damp=F DIIS: error= 1.83D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.74704841884 IErMin= 9 ErrMin= 1.83D-06 ErrMax= 1.83D-06 EMaxC= 1.00D-01 BMatC= 1.48D-09 BMatP= 2.38D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.105D-02-0.503D-03-0.534D-02-0.459D-02 0.378D-01 0.587D-01 Coeff-Com: 0.167D+00 0.255D+00 0.493D+00 Coeff: -0.105D-02-0.503D-03-0.534D-02-0.459D-02 0.378D-01 0.587D-01 Coeff: 0.167D+00 0.255D+00 0.493D+00 Gap= 0.075 Goal= None Shift= 0.000 RMSDP=4.38D-07 MaxDP=7.48D-06 DE=-2.18D-08 OVMax= 2.04D-05 Cycle 10 Pass 1 IDiag 1: RMSU= 3.40D-07 CP: 1.00D+00 8.90D-01 9.55D-01 1.02D+00 9.42D-01 CP: 7.08D-01 7.76D-01 7.17D-01 8.37D-01 E= -1682.74704842017 Delta-E= -0.000000001325 Rises=F Damp=F DIIS: error= 9.87D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.74704842017 IErMin=10 ErrMin= 9.87D-07 ErrMax= 9.87D-07 EMaxC= 1.00D-01 BMatC= 4.78D-10 BMatP= 1.48D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.461D-03 0.231D-03-0.131D-02-0.519D-02-0.213D-03 0.947D-03 Coeff-Com: 0.304D-01 0.970D-01 0.381D+00 0.498D+00 Coeff: -0.461D-03 0.231D-03-0.131D-02-0.519D-02-0.213D-03 0.947D-03 Coeff: 0.304D-01 0.970D-01 0.381D+00 0.498D+00 Gap= 0.075 Goal= None Shift= 0.000 RMSDP=2.55D-07 MaxDP=8.56D-06 DE=-1.33D-09 OVMax= 1.19D-05 Cycle 11 Pass 1 IDiag 1: RMSU= 1.87D-07 CP: 1.00D+00 8.90D-01 9.55D-01 1.02D+00 9.46D-01 CP: 7.15D-01 7.78D-01 7.30D-01 8.77D-01 8.03D-01 E= -1682.74704842055 Delta-E= -0.000000000382 Rises=F Damp=F DIIS: error= 2.83D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.74704842055 IErMin=11 ErrMin= 2.83D-07 ErrMax= 2.83D-07 EMaxC= 1.00D-01 BMatC= 4.22D-11 BMatP= 4.78D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.107D-03 0.116D-03-0.120D-03-0.186D-02-0.447D-02-0.636D-02 Coeff-Com: -0.172D-02 0.198D-01 0.107D+00 0.284D+00 0.603D+00 Coeff: -0.107D-03 0.116D-03-0.120D-03-0.186D-02-0.447D-02-0.636D-02 Coeff: -0.172D-02 0.198D-01 0.107D+00 0.284D+00 0.603D+00 Gap= 0.075 Goal= None Shift= 0.000 RMSDP=1.09D-07 MaxDP=2.06D-06 DE=-3.82D-10 OVMax= 6.77D-06 Cycle 12 Pass 1 IDiag 1: RMSU= 8.37D-08 CP: 1.00D+00 8.90D-01 9.55D-01 1.02D+00 9.46D-01 CP: 7.16D-01 7.82D-01 7.37D-01 8.73D-01 8.83D-01 CP: 8.04D-01 E= -1682.74704842062 Delta-E= -0.000000000069 Rises=F Damp=F DIIS: error= 1.70D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.74704842062 IErMin=12 ErrMin= 1.70D-07 ErrMax= 1.70D-07 EMaxC= 1.00D-01 BMatC= 6.41D-12 BMatP= 4.22D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.464D-04 0.160D-04 0.238D-03-0.115D-03-0.275D-02-0.476D-02 Coeff-Com: -0.675D-02-0.749D-02-0.853D-02 0.653D-01 0.347D+00 0.618D+00 Coeff: 0.464D-04 0.160D-04 0.238D-03-0.115D-03-0.275D-02-0.476D-02 Coeff: -0.675D-02-0.749D-02-0.853D-02 0.653D-01 0.347D+00 0.618D+00 Gap= 0.075 Goal= None Shift= 0.000 RMSDP=5.02D-08 MaxDP=1.19D-06 DE=-6.91D-11 OVMax= 3.14D-06 Cycle 13 Pass 1 IDiag 1: RMSU= 3.04D-08 CP: 1.00D+00 8.90D-01 9.55D-01 1.02D+00 9.45D-01 CP: 7.15D-01 7.87D-01 7.39D-01 8.95D-01 9.03D-01 CP: 8.38D-01 8.45D-01 E= -1682.74704842062 Delta-E= 0.000000000003 Rises=F Damp=F DIIS: error= 5.24D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=12 EnMin= -1682.74704842062 IErMin=13 ErrMin= 5.24D-08 ErrMax= 5.24D-08 EMaxC= 1.00D-01 BMatC= 1.96D-12 BMatP= 6.41D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.430D-04 0.638D-05 0.175D-03 0.439D-04-0.153D-02-0.281D-02 Coeff-Com: -0.437D-02-0.564D-02-0.143D-01 0.229D-01 0.194D+00 0.428D+00 Coeff-Com: 0.383D+00 Coeff: 0.430D-04 0.638D-05 0.175D-03 0.439D-04-0.153D-02-0.281D-02 Coeff: -0.437D-02-0.564D-02-0.143D-01 0.229D-01 0.194D+00 0.428D+00 Coeff: 0.383D+00 Gap= 0.075 Goal= None Shift= 0.000 RMSDP=1.51D-08 MaxDP=2.66D-07 DE= 3.18D-12 OVMax= 8.09D-07 Cycle 14 Pass 1 IDiag 1: RMSU= 1.13D-08 CP: 1.00D+00 8.90D-01 9.55D-01 1.02D+00 9.46D-01 CP: 7.15D-01 7.86D-01 7.39D-01 8.96D-01 9.04D-01 CP: 8.57D-01 8.77D-01 7.69D-01 E= -1682.74704842059 Delta-E= 0.000000000022 Rises=F Damp=F DIIS: error= 1.76D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=12 EnMin= -1682.74704842062 IErMin=14 ErrMin= 1.76D-08 ErrMax= 1.76D-08 EMaxC= 1.00D-01 BMatC= 3.19D-13 BMatP= 1.96D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.159D-04-0.172D-05 0.459D-04 0.945D-04-0.146D-03-0.384D-03 Coeff-Com: -0.124D-02-0.183D-02-0.992D-02-0.853D-02 0.247D-01 0.123D+00 Coeff-Com: 0.278D+00 0.596D+00 Coeff: 0.159D-04-0.172D-05 0.459D-04 0.945D-04-0.146D-03-0.384D-03 Coeff: -0.124D-02-0.183D-02-0.992D-02-0.853D-02 0.247D-01 0.123D+00 Coeff: 0.278D+00 0.596D+00 Gap= 0.075 Goal= None Shift= 0.000 RMSDP=8.38D-09 MaxDP=1.18D-07 DE= 2.18D-11 OVMax= 6.78D-07 SCF Done: E(RB+HF-LYP) = -1682.74704842 A.U. after 14 cycles Convg = 0.8377D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132137939241D+03 PE=-8.333959635265D+03 EE= 3.406713927428D+03 Leave Link 502 at Sat Apr 12 10:38:29 2008, MaxMem= 12582912 cpu: 293.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.15716883D+02 **** Warning!!: The smallest alpha delta epsilon is 0.75141465D-01 Leave Link 801 at Sat Apr 12 10:38:29 2008, MaxMem= 12582912 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2735 LenP2D= 11351. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Number of processors reduced to 3 by ecpmxn.