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/332848/Gau-23435.inp -scrdir=/scratch/batch/332848/ Entering Link 1 = /usr/apps/chemistry/gaussian/G03/e01/g03/l1.exe PID= 23438. 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=Cu7CO03.chk %nproc=4 Will use up to 4 processors via shared memory. %mem=1200MW -------------------------------------------------------------- #P B3LYP/LANL2DZ Opt nosymm Pop=Full Freq(Raman) Geom=AllCheck -------------------------------------------------------------- 1/14=-1,18=20,26=3,29=7,38=1/1,3; 2/9=110,15=1,40=1/2; 3/5=6,6=3,11=2,16=1,25=1,30=1,74=-5/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=3,28=1/1; 7/30=1/1,2,3,16; 1/14=-1,18=20/3(3); 2/9=110,15=1/2; 6/7=3,19=2,28=1/1; 99//99; 2/9=110,15=1/2; 3/5=6,6=3,11=2,16=1,25=1,30=1,74=-5/1,2,3; 4/5=5,16=3/1; 5/5=2,38=5/2; 7/30=1/1,2,3,16; 1/14=-1,18=20/3(-5); 2/9=110,15=1/2; 6/7=3,19=2,28=1/1; 99/9=1/99; Leave Link 1 at Sat Apr 12 23:51:44 2008, MaxMem= 1258291200 cpu: 0.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l101.exe) ------- Cu7CO03 ------- Redundant internal coordinates taken from checkpoint file: Cu7CO03.chk Charge = 0 Multiplicity = 2 Cu,0,1.271816174,1.0763963509,1.4621905774 Cu,0,1.063419559,0.3950490359,-0.8978088164 Cu,0,-0.9858044758,0.7081851913,0.5368018182 Cu,0,0.5405487649,-1.3394319221,0.9405086031 Cu,0,1.3072946473,-2.010406304,-1.3831704925 Cu,0,-0.9571994838,-1.0117987861,-1.2574653101 Cu,0,-1.9886740721,-1.5102590254,0.9401799327 C,0,1.1304638256,-2.7620596005,2.1070664405 O,0,1.2784235896,-3.8255832913,2.580699975 Recover connectivity data from disk. Isotopes and Nuclear Properties: (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) in nuclear magnetons) Atom 1 2 3 4 5 6 7 8 9 IAtWgt= 63 63 63 63 63 63 63 12 16 AtmWgt= 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 12.0000000 15.9949146 NucSpn= 3 3 3 3 3 3 3 0 0 AtZEff= -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -3.6000000 -5.6000000 NQMom= -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 0.0000000 0.0000000 NMagM= 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 0.0000000 0.0000000 Leave Link 101 at Sat Apr 12 23:51:44 2008, MaxMem= 1258291200 cpu: 0.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 2.4652 estimate D2E/DX2 ! ! R2 R(1,3) 2.4675 estimate D2E/DX2 ! ! R3 R(1,4) 2.5774 estimate D2E/DX2 ! ! R4 R(2,3) 2.521 estimate D2E/DX2 ! ! R5 R(2,4) 2.5809 estimate D2E/DX2 ! ! R6 R(2,5) 2.466 estimate D2E/DX2 ! ! R7 R(2,6) 2.4883 estimate D2E/DX2 ! ! R8 R(3,4) 2.5856 estimate D2E/DX2 ! ! R9 R(3,6) 2.4857 estimate D2E/DX2 ! ! R10 R(3,7) 2.4678 estimate D2E/DX2 ! ! R11 R(4,5) 2.5372 estimate D2E/DX2 ! ! R12 R(4,6) 2.6799 estimate D2E/DX2 ! ! R13 R(4,7) 2.535 estimate D2E/DX2 ! ! R14 R(4,8) 1.932 estimate D2E/DX2 ! ! R15 R(5,6) 2.4781 estimate D2E/DX2 ! ! R16 R(6,7) 2.4783 estimate D2E/DX2 ! ! R17 R(8,9) 1.1736 estimate D2E/DX2 ! ! A1 A(1,2,5) 116.7217 estimate D2E/DX2 ! ! A2 A(1,2,6) 111.3021 estimate D2E/DX2 ! ! A3 A(3,2,5) 108.2733 estimate D2E/DX2 ! ! A4 A(1,3,6) 111.3113 estimate D2E/DX2 ! ! A5 A(1,3,7) 116.4013 estimate D2E/DX2 ! ! A6 A(2,3,7) 108.1611 estimate D2E/DX2 ! ! A7 A(1,4,5) 110.3344 estimate D2E/DX2 ! ! A8 A(1,4,6) 102.1214 estimate D2E/DX2 ! ! A9 A(1,4,7) 110.259 estimate D2E/DX2 ! ! A10 A(1,4,8) 118.7724 estimate D2E/DX2 ! ! A11 A(2,4,7) 104.3192 estimate D2E/DX2 ! ! A12 A(2,4,8) 149.6615 estimate D2E/DX2 ! ! A13 A(3,4,5) 104.1715 estimate D2E/DX2 ! ! A14 A(3,4,8) 149.0531 estimate D2E/DX2 ! ! A15 A(5,4,7) 106.4734 estimate D2E/DX2 ! ! A16 A(5,4,8) 105.4253 estimate D2E/DX2 ! ! A17 A(6,4,8) 139.1037 estimate D2E/DX2 ! ! A18 A(7,4,8) 104.7794 estimate D2E/DX2 ! ! A19 A(2,6,7) 108.8762 estimate D2E/DX2 ! ! A20 A(3,6,5) 109.0246 estimate D2E/DX2 ! ! A21 A(5,6,7) 110.1365 estimate D2E/DX2 ! ! A22 A(4,8,9) 161.7062 estimate D2E/DX2 ! ! D1 D(5,2,3,7) 0.3292 estimate D2E/DX2 ! ! D2 D(1,2,6,7) -6.6372 estimate D2E/DX2 ! ! D3 D(1,3,6,5) 6.3213 estimate D2E/DX2 ! ! D4 D(1,4,8,9) 177.8268 estimate D2E/DX2 ! ! D5 D(2,4,8,9) -108.9501 estimate D2E/DX2 ! ! D6 D(3,4,8,9) 104.6386 estimate D2E/DX2 ! ! D7 D(5,4,8,9) -57.9254 estimate D2E/DX2 ! ! D8 D(6,4,8,9) -1.4835 estimate D2E/DX2 ! ! D9 D(7,4,8,9) 54.2243 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 Number of steps in this run= 58 maximum allowed number of steps= 100. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Sat Apr 12 23:51:44 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 1.271816 1.076396 1.462191 2 29 0 1.063420 0.395049 -0.897809 3 29 0 -0.985804 0.708185 0.536802 4 29 0 0.540549 -1.339432 0.940509 5 29 0 1.307295 -2.010406 -1.383170 6 29 0 -0.957199 -1.011799 -1.257465 7 29 0 -1.988674 -1.510259 0.940180 8 6 0 1.130464 -2.762060 2.107066 9 8 0 1.278424 -3.825583 2.580700 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.465210 0.000000 3 Cu 2.467544 2.521008 0.000000 4 Cu 2.577427 2.580936 2.585627 0.000000 5 Cu 4.198296 2.466022 4.041700 2.537241 0.000000 6 Cu 4.089694 2.488267 2.485670 2.679866 2.478095 7 Cu 4.194530 4.040257 2.467784 2.534985 4.063436 8 C 3.894816 4.359026 4.357398 1.932027 3.574634 9 O 5.027973 5.473572 5.464367 3.068491 4.359813 6 7 8 9 6 Cu 0.000000 7 Cu 2.478315 0.000000 8 C 4.329183 3.557759 0.000000 9 O 5.258033 4.327350 1.173586 0.000000 Symmetry turned off by external request. Stoichiometry CCu7O(2) Framework group C1[X(CCu7O)] Deg. of freedom 21 Full point group C1 Rotational constants (GHZ): 0.3684787 0.3489290 0.3333678 Leave Link 202 at Sat Apr 12 23:51:44 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1684.3977170244 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sat Apr 12 23:51:45 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 554 NPtTot= 95048 NUsed= 98963 NTot= 98995 NSgBfM= 186 186 186 186. Leave Link 302 at Sat Apr 12 23:51:48 2008, MaxMem= 1258291200 cpu: 7.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Sat Apr 12 23:51:48 2008, MaxMem= 1258291200 cpu: 0.4 (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= -1246.37120453797 of initial guess= 0.7500 Leave Link 401 at Sat Apr 12 23:51:50 2008, MaxMem= 1258291200 cpu: 6.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 98962 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306792921. IEnd= 239127 IEndB= 239127 NGot=1258291200 MDV= 955639210 LenX= 955639210 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1483.88001459133 DIIS: error= 1.32D-01 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1483.88001459133 IErMin= 1 ErrMin= 1.32D-01 ErrMax= 1.32D-01 EMaxC= 1.00D-01 BMatC= 1.37D+01 BMatP= 1.37D+01 IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.012 Goal= None Shift= 0.000 Gap= 0.082 Goal= None Shift= 0.000 GapD= 0.012 DampG=0.250 DampE=0.125 DampFc=0.1250 IDamp=-1. Damping current iteration by 1.25D-01 RMSDP=2.73D+00 MaxDP=1.06D+02 OVMax= 9.80D-01 Cycle 2 Pass 1 IDiag 1: E= -1481.71058602198 Delta-E= 2.169428569352 Rises=F Damp=T DIIS: error= 4.51D-02 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1483.88001459133 IErMin= 2 ErrMin= 4.51D-02 ErrMax= 4.51D-02 EMaxC= 1.00D-01 BMatC= 1.52D+00 BMatP= 1.37D+01 IDIUse=3 WtCom= 5.49D-01 WtEn= 4.51D-01 Coeff-Com: -0.680D-01 0.107D+01 Coeff-En: 0.732D+00 0.268D+00 Coeff: 0.293D+00 0.707D+00 Gap= -0.087 Goal= None Shift= 0.000 Gap= 0.000 Goal= None Shift= 0.000 RMSDP=3.41D-01 MaxDP=1.32D+01 DE= 2.17D+00 OVMax= 8.73D-01 Cycle 3 Pass 1 IDiag 1: E= -1484.12805429229 Delta-E= -2.417468270308 Rises=F Damp=F DIIS: error= 1.06D-01 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1484.12805429229 IErMin= 2 ErrMin= 4.51D-02 ErrMax= 1.06D-01 EMaxC= 1.00D-01 BMatC= 7.03D+00 BMatP= 1.52D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 2 forward-backward iterations Coeff-En: 0.383D+00 0.133D+00 0.485D+00 Coeff: 0.383D+00 0.133D+00 0.485D+00 Gap= 0.888 Goal= None Shift= 0.000 Gap= -0.008 Goal= None Shift= 0.000 RMSDP=1.38D-01 MaxDP=1.08D+01 DE=-2.42D+00 OVMax= 8.13D-01 Cycle 4 Pass 1 IDiag 1: E= -1402.66759283747 Delta-E= 81.460461454818 Rises=F Damp=F DIIS: error= 5.49D-01 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 3 EnMin= -1484.12805429229 IErMin= 2 ErrMin= 4.51D-02 ErrMax= 5.49D-01 EMaxC= 1.00D-01 BMatC= 3.77D+02 BMatP= 1.52D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 100 forward-backward iterations Coeff-En: 0.450D+00 0.726D-02 0.490D+00 0.529D-01 Coeff: 0.450D+00 0.726D-02 0.490D+00 0.529D-01 Gap= 0.033 Goal= None Shift= 0.000 Gap= 0.008 Goal= None Shift= 0.000 RMSDP=1.19D-01 MaxDP=7.43D+00 DE= 8.15D+01 OVMax= 9.18D-01 Cycle 5 Pass 1 IDiag 1: E= -1463.83897328515 Delta-E= -61.171380447684 Rises=F Damp=F DIIS: error= 4.10D-01 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 3 EnMin= -1484.12805429229 IErMin= 2 ErrMin= 4.51D-02 ErrMax= 4.10D-01 EMaxC= 1.00D-01 BMatC= 1.31D+02 BMatP= 1.52D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 100 forward-backward iterations Coeff-En: 0.437D+00 0.548D-02 0.447D+00 0.310D-01 0.798D-01 Coeff: 0.437D+00 0.548D-02 0.447D+00 0.310D-01 0.798D-01 Gap= 0.042 Goal= None Shift= 0.000 Gap= 0.020 Goal= None Shift= 0.000 RMSDP=3.63D-02 MaxDP=3.41D+00 DE=-6.12D+01 OVMax= 7.56D-01 Cycle 6 Pass 1 IDiag 1: E= -1476.16103558344 Delta-E= -12.322062298287 Rises=F Damp=F DIIS: error= 1.81D-01 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 3 EnMin= -1484.12805429229 IErMin= 2 ErrMin= 4.51D-02 ErrMax= 1.81D-01 EMaxC= 1.00D-01 BMatC= 4.41D+01 BMatP= 1.52D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 2 forward-backward iterations Coeff-En: 0.363D+00 0.000D+00 0.412D+00 0.000D+00 0.639D-01 0.161D+00 Coeff: 0.363D+00 0.000D+00 0.412D+00 0.000D+00 0.639D-01 0.161D+00 Gap= -0.035 Goal= None Shift= 0.000 Gap= -0.032 Goal= None Shift= 0.000 RMSDP=1.62D-02 MaxDP=4.86D-01 DE=-1.23D+01 OVMax= 4.97D-01 Cycle 7 Pass 1 IDiag 1: E= -1485.78964831059 Delta-E= -9.628612727147 Rises=F Damp=F DIIS: error= 6.49D-02 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1485.78964831059 IErMin= 2 ErrMin= 4.51D-02 ErrMax= 6.49D-02 EMaxC= 1.00D-01 BMatC= 3.41D+00 BMatP= 1.52D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 3 forward-backward iterations Coeff-En: 0.875D-01 0.000D+00 0.209D+00 0.000D+00 0.000D+00 0.462D-01 Coeff-En: 0.658D+00 Coeff: 0.875D-01 0.000D+00 0.209D+00 0.000D+00 0.000D+00 0.462D-01 Coeff: 0.658D+00 Gap= 0.119 Goal= None Shift= 0.000 Gap= 0.259 Goal= None Shift= 0.000 RMSDP=1.81D-02 MaxDP=6.84D-01 DE=-9.63D+00 OVMax= 8.22D-01 Cycle 8 Pass 1 IDiag 1: E= -1473.25588355677 Delta-E= 12.533764753815 Rises=F Damp=F DIIS: error= 2.65D-01 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 7 EnMin= -1485.78964831059 IErMin= 2 ErrMin= 4.51D-02 ErrMax= 2.65D-01 EMaxC= 1.00D-01 BMatC= 6.16D+01 BMatP= 1.52D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 5 forward-backward iterations Coeff-En: 0.461D-01 0.000D+00 0.196D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.687D+00 0.713D-01 Coeff: 0.461D-01 0.000D+00 0.196D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.687D+00 0.713D-01 Gap= 0.023 Goal= None Shift= 0.000 Gap= 0.007 Goal= None Shift= 0.000 RMSDP=1.49D-02 MaxDP=6.74D-01 DE= 1.25D+01 OVMax= 6.92D-01 Cycle 9 Pass 1 IDiag 1: E= -1485.77177097417 Delta-E= -12.515887417394 Rises=F Damp=F DIIS: error= 6.21D-02 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 7 EnMin= -1485.78964831059 IErMin= 2 ErrMin= 4.51D-02 ErrMax= 6.21D-02 EMaxC= 1.00D-01 BMatC= 3.58D+00 BMatP= 1.52D+00 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: 0.504D+00 0.000D+00 0.496D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.504D+00 0.000D+00 0.496D+00 Gap= 0.068 Goal= None Shift= 0.000 Gap= 0.125 Goal= None Shift= 0.000 RMSDP=9.53D-03 MaxDP=2.87D-01 DE=-1.25D+01 OVMax= 3.66D-01 Cycle 10 Pass 1 IDiag 1: E= -1485.85331188164 Delta-E= -0.081540907471 Rises=F Damp=F DIIS: error= 6.32D-02 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1485.85331188164 IErMin= 2 ErrMin= 4.51D-02 ErrMax= 6.32D-02 EMaxC= 1.00D-01 BMatC= 4.32D+00 BMatP= 1.52D+00 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 3 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: 0.405D+00 0.000D+00 0.382D+00 0.213D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.405D+00 0.000D+00 0.382D+00 0.213D+00 Gap= 0.145 Goal= None Shift= 0.000 Gap= 0.172 Goal= None Shift= 0.000 RMSDP=7.72D-03 MaxDP=2.30D-01 DE=-8.15D-02 OVMax= 2.37D-01 Cycle 11 Pass 1 IDiag 1: E= -1486.50036847719 Delta-E= -0.647056595552 Rises=F Damp=F DIIS: error= 1.07D-02 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1486.50036847719 IErMin=11 ErrMin= 1.07D-02 ErrMax= 1.07D-02 EMaxC= 1.00D-01 BMatC= 1.50D-01 BMatP= 1.52D+00 IDIUse=3 WtCom= 8.93D-01 WtEn= 1.07D-01 Coeff-Com: -0.299D-01 0.644D-01-0.202D-01-0.719D-03-0.318D-02 0.966D-02 Coeff-Com: 0.564D-01-0.467D-02 0.776D-01 0.122D+00 0.729D+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 0.658D-01 0.934D+00 Coeff: -0.267D-01 0.575D-01-0.180D-01-0.642D-03-0.284D-02 0.863D-02 Coeff: 0.503D-01-0.417D-02 0.693D-01 0.116D+00 0.751D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.111 Goal= None Shift= 0.000 RMSDP=2.24D-03 MaxDP=7.03D-02 DE=-6.47D-01 OVMax= 6.29D-02 Cycle 12 Pass 1 IDiag 1: E= -1486.51587024721 Delta-E= -0.015501770020 Rises=F Damp=F DIIS: error= 1.30D-02 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1486.51587024721 IErMin=11 ErrMin= 1.07D-02 ErrMax= 1.30D-02 EMaxC= 1.00D-01 BMatC= 9.40D-02 BMatP= 1.50D-01 IDIUse=3 WtCom= 8.93D-01 WtEn= 1.07D-01 Coeff-Com: -0.516D-01 0.628D-01-0.819D-02-0.752D-03 0.187D-03 0.419D-02 Coeff-Com: 0.783D-02-0.139D-02 0.158D-01 0.364D-01 0.461D+00 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 0.307D+00 0.693D+00 Coeff: -0.461D-01 0.561D-01-0.731D-02-0.671D-03 0.167D-03 0.374D-02 Coeff: 0.699D-02-0.124D-02 0.141D-01 0.325D-01 0.444D+00 0.497D+00 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=9.73D-04 MaxDP=2.06D-02 DE=-1.55D-02 OVMax= 1.80D-02 Cycle 13 Pass 1 IDiag 1: E= -1486.52226243302 Delta-E= -0.006392185808 Rises=F Damp=F DIIS: error= 7.91D-03 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1486.52226243302 IErMin=13 ErrMin= 7.91D-03 ErrMax= 7.91D-03 EMaxC= 1.00D-01 BMatC= 5.89D-02 BMatP= 9.40D-02 IDIUse=3 WtCom= 9.21D-01 WtEn= 7.91D-02 EnCoef did 3 forward-backward iterations Coeff-Com: -0.581D-01 0.582D-01-0.235D-02 0.272D-04 0.498D-03 0.513D-03 Coeff-Com: 0.148D-01-0.393D-03 0.848D-02 0.543D-02 0.204D+00 0.353D+00 Coeff-Com: 0.417D+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 0.152D-02 0.156D+00 Coeff-En: 0.842D+00 Coeff: -0.535D-01 0.536D-01-0.217D-02 0.250D-04 0.459D-03 0.472D-03 Coeff: 0.137D-01-0.362D-03 0.781D-02 0.500D-02 0.188D+00 0.337D+00 Coeff: 0.450D+00 Gap= 0.064 Goal= None Shift= 0.000 Gap= 0.106 Goal= None Shift= 0.000 RMSDP=3.98D-04 MaxDP=7.32D-03 DE=-6.39D-03 OVMax= 7.35D-03 Cycle 14 Pass 1 IDiag 1: E= -1486.52411000405 Delta-E= -0.001847571035 Rises=F Damp=F DIIS: error= 8.59D-03 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1486.52411000405 IErMin=13 ErrMin= 7.91D-03 ErrMax= 8.59D-03 EMaxC= 1.00D-01 BMatC= 4.92D-02 BMatP= 5.89D-02 IDIUse=3 WtCom= 9.21D-01 WtEn= 7.91D-02 Coeff-Com: -0.576D-01 0.529D-01-0.164D-02-0.268D-04-0.174D-04 0.197D-02 Coeff-Com: 0.192D-01-0.515D-03 0.781D-02 0.345D-02 0.665D-01 0.147D+00 Coeff-Com: 0.288D+00 0.473D+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: 0.729D-01 0.927D+00 Coeff: -0.531D-01 0.487D-01-0.151D-02-0.247D-04-0.160D-04 0.181D-02 Coeff: 0.177D-01-0.474D-03 0.720D-02 0.318D-02 0.612D-01 0.136D+00 Coeff: 0.271D+00 0.509D+00 Gap= 0.064 Goal= None Shift= 0.000 Gap= 0.106 Goal= None Shift= 0.000 RMSDP=1.74D-04 MaxDP=4.61D-03 DE=-1.85D-03 OVMax= 6.10D-03 Cycle 15 Pass 1 IDiag 1: E= -1486.52584200457 Delta-E= -0.001732000517 Rises=F Damp=F DIIS: error= 7.37D-03 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1486.52584200457 IErMin=15 ErrMin= 7.37D-03 ErrMax= 7.37D-03 EMaxC= 1.00D-01 BMatC= 3.97D-02 BMatP= 4.92D-02 IDIUse=3 WtCom= 9.26D-01 WtEn= 7.37D-02 Coeff-Com: -0.470D-01 0.414D-01-0.985D-03 0.239D-04 0.852D-04 0.191D-02 Coeff-Com: 0.191D-01-0.288D-03 0.614D-02 0.915D-02-0.167D+00-0.287D+00 Coeff-Com: -0.328D+00-0.143D+00 0.190D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: -0.435D-01 0.383D-01-0.912D-03 0.221D-04 0.789D-04 0.177D-02 Coeff: 0.177D-01-0.267D-03 0.569D-02 0.848D-02-0.155D+00-0.266D+00 Coeff: -0.304D+00-0.132D+00 0.183D+01 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.106 Goal= None Shift= 0.000 RMSDP=2.68D-04 MaxDP=6.49D-03 DE=-1.73D-03 OVMax= 8.93D-03 Cycle 16 Pass 1 IDiag 1: E= -1486.52907580345 Delta-E= -0.003233798880 Rises=F Damp=F DIIS: error= 5.99D-03 at cycle 16 NSaved= 16. NSaved=16 IEnMin=16 EnMin= -1486.52907580345 IErMin=16 ErrMin= 5.99D-03 ErrMax= 5.99D-03 EMaxC= 1.00D-01 BMatC= 2.47D-02 BMatP= 3.97D-02 IDIUse=3 WtCom= 9.40D-01 WtEn= 5.99D-02 Coeff-Com: -0.244D-01 0.225D-01 0.412D-03 0.500D-04 0.251D-03 0.556D-03 Coeff-Com: 0.146D-01-0.153D-03 0.287D-02 0.151D-01-0.302D+00-0.546D+00 Coeff-Com: -0.785D+00-0.104D+01 0.254D+01 0.110D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: -0.230D-01 0.211D-01 0.387D-03 0.470D-04 0.236D-03 0.523D-03 Coeff: 0.137D-01-0.143D-03 0.270D-02 0.142D-01-0.284D+00-0.514D+00 Coeff: -0.738D+00-0.976D+00 0.239D+01 0.110D+01 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.105 Goal= None Shift= 0.000 RMSDP=4.60D-04 MaxDP=1.05D-02 DE=-3.23D-03 OVMax= 1.49D-02 Cycle 17 Pass 1 IDiag 1: E= -1486.53290705333 Delta-E= -0.003831249879 Rises=F Damp=F DIIS: error= 3.17D-03 at cycle 17 NSaved= 17. NSaved=17 IEnMin=17 EnMin= -1486.53290705333 IErMin=17 ErrMin= 3.17D-03 ErrMax= 3.17D-03 EMaxC= 1.00D-01 BMatC= 7.15D-03 BMatP= 2.47D-02 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.17D-02 Coeff-Com: -0.814D-02 0.937D-02 0.647D-03 0.113D-04 0.120D-03-0.104D-03 Coeff-Com: 0.848D-02-0.162D-03 0.134D-02 0.107D-01-0.173D+00-0.316D+00 Coeff-Com: -0.509D+00-0.984D+00 0.119D+01 0.114D+01 0.626D+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: -0.788D-02 0.908D-02 0.627D-03 0.109D-04 0.116D-03-0.101D-03 Coeff: 0.821D-02-0.157D-03 0.130D-02 0.103D-01-0.167D+00-0.306D+00 Coeff: -0.493D+00-0.953D+00 0.115D+01 0.111D+01 0.638D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=3.14D-04 MaxDP=7.53D-03 DE=-3.83D-03 OVMax= 9.22D-03 Cycle 18 Pass 1 IDiag 1: E= -1486.53414358527 Delta-E= -0.001236531940 Rises=F Damp=F DIIS: error= 1.33D-03 at cycle 18 NSaved= 18. NSaved=18 IEnMin=18 EnMin= -1486.53414358527 IErMin=18 ErrMin= 1.33D-03 ErrMax= 1.33D-03 EMaxC= 1.00D-01 BMatC= 1.44D-03 BMatP= 7.15D-03 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.33D-02 Coeff-Com: -0.553D-03 0.186D-02-0.301D-03 0.651D-05-0.500D-04 0.150D-03 Coeff-Com: 0.167D-02 0.174D-04 0.107D-02-0.703D-03 0.455D-01 0.747D-01 Coeff-Com: 0.673D-01-0.236D+00-0.390D+00 0.168D+00 0.449D+00 0.818D+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: -0.545D-03 0.184D-02-0.297D-03 0.643D-05-0.493D-04 0.148D-03 Coeff: 0.164D-02 0.172D-04 0.106D-02-0.694D-03 0.448D-01 0.737D-01 Coeff: 0.664D-01-0.233D+00-0.384D+00 0.166D+00 0.443D+00 0.821D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.02D-04 MaxDP=4.98D-03 DE=-1.24D-03 OVMax= 1.62D-02 Cycle 19 Pass 1 IDiag 1: E= -1486.53448268420 Delta-E= -0.000339098930 Rises=F Damp=F DIIS: error= 2.65D-04 at cycle 19 NSaved= 19. NSaved=19 IEnMin=19 EnMin= -1486.53448268420 IErMin=19 ErrMin= 2.65D-04 ErrMax= 2.65D-04 EMaxC= 1.00D-01 BMatC= 6.23D-05 BMatP= 1.44D-03 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.65D-03 Coeff-Com: -0.799D-03 0.695D-03-0.958D-04-0.764D-05-0.669D-05 0.402D-04 Coeff-Com: 0.276D-03 0.148D-04 0.269D-03-0.757D-03 0.296D-01 0.441D-01 Coeff-Com: 0.541D-01 0.213D-01-0.140D+00-0.108D+00 0.222D-01 0.212D+00 Coeff-Com: 0.864D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.100D+01 Coeff: -0.797D-03 0.693D-03-0.956D-04-0.762D-05-0.667D-05 0.401D-04 Coeff: 0.275D-03 0.147D-04 0.268D-03-0.755D-03 0.295D-01 0.440D-01 Coeff: 0.540D-01 0.212D-01-0.140D+00-0.107D+00 0.222D-01 0.212D+00 Coeff: 0.865D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.16D-05 MaxDP=1.17D-03 DE=-3.39D-04 OVMax= 6.73D-03 Cycle 20 Pass 1 IDiag 1: Restarting incremental Fock formation. E= -1486.53449866862 Delta-E= -0.000015984423 Rises=F Damp=F DIIS: error= 1.85D-04 at cycle 20 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.53449866862 IErMin=20 ErrMin= 1.85D-04 ErrMax= 1.85D-04 EMaxC= 1.00D-01 BMatC= 3.85D-05 BMatP= 6.23D-05 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.85D-03 Matrix for removal 4 Erem= -1402.66759283747 Crem= 0.000D+00 Coeff-Com: -0.801D-03 0.363D-03-0.167D-04-0.237D-05-0.107D-05-0.662D-06 Coeff-Com: -0.239D-03-0.134D-04-0.112D-03-0.416D-03 0.192D-01 0.257D-01 Coeff-Com: 0.382D-01 0.940D-01-0.427D-01-0.156D+00-0.106D+00-0.286D-01 Coeff-Com: 0.791D+00 0.366D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.100D+01 Coeff: -0.800D-03 0.362D-03-0.167D-04-0.236D-05-0.107D-05-0.661D-06 Coeff: -0.238D-03-0.134D-04-0.112D-03-0.415D-03 0.192D-01 0.257D-01 Coeff: 0.381D-01 0.939D-01-0.426D-01-0.156D+00-0.106D+00-0.285D-01 Coeff: 0.790D+00 0.368D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.05D-05 MaxDP=4.24D-04 DE=-1.60D-05 OVMax= 3.92D-03 Cycle 21 Pass 1 IDiag 1: E= -1486.53450910830 Delta-E= -0.000010439680 Rises=F Damp=F DIIS: error= 7.68D-05 at cycle 21 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.53450910830 IErMin=20 ErrMin= 7.68D-05 ErrMax= 7.68D-05 EMaxC= 1.00D-01 BMatC= 5.17D-06 BMatP= 3.85D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.366D-03 0.809D-04 0.487D-04 0.526D-05-0.222D-04-0.209D-03 Coeff-Com: -0.129D-04-0.127D-03 0.148D-03 0.635D-03-0.155D-02 0.347D-03 Coeff-Com: 0.400D-01 0.319D-01-0.556D-01-0.718D-01-0.702D-01 0.158D+00 Coeff-Com: 0.891D-01 0.880D+00 Coeff: -0.366D-03 0.809D-04 0.487D-04 0.526D-05-0.222D-04-0.209D-03 Coeff: -0.129D-04-0.127D-03 0.148D-03 0.635D-03-0.155D-02 0.347D-03 Coeff: 0.400D-01 0.319D-01-0.556D-01-0.718D-01-0.702D-01 0.158D+00 Coeff: 0.891D-01 0.880D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.24D-05 MaxDP=3.40D-04 DE=-1.04D-05 OVMax= 3.53D-03 Cycle 22 Pass 1 IDiag 1: E= -1486.53451138686 Delta-E= -0.000002278563 Rises=F Damp=F DIIS: error= 3.15D-05 at cycle 22 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.53451138686 IErMin=20 ErrMin= 3.15D-05 ErrMax= 3.15D-05 EMaxC= 1.00D-01 BMatC= 7.07D-07 BMatP= 5.17D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.401D-04-0.247D-04 0.203D-04 0.348D-05-0.226D-04-0.167D-05 Coeff-Com: -0.790D-04 0.169D-03-0.265D-02-0.459D-02-0.559D-02-0.121D-02 Coeff-Com: 0.119D-01 0.476D-02 0.253D-02 0.294D-02-0.155D+00-0.417D-01 Coeff-Com: 0.263D+00 0.925D+00 Coeff: -0.401D-04-0.247D-04 0.203D-04 0.348D-05-0.226D-04-0.167D-05 Coeff: -0.790D-04 0.169D-03-0.265D-02-0.459D-02-0.559D-02-0.121D-02 Coeff: 0.119D-01 0.476D-02 0.253D-02 0.294D-02-0.155D+00-0.417D-01 Coeff: 0.263D+00 0.925D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.20D-05 MaxDP=1.95D-04 DE=-2.28D-06 OVMax= 1.50D-03 Cycle 23 Pass 1 IDiag 1: E= -1486.53451189470 Delta-E= -0.000000507836 Rises=F Damp=F DIIS: error= 1.53D-05 at cycle 23 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.53451189470 IErMin=20 ErrMin= 1.53D-05 ErrMax= 1.53D-05 EMaxC= 1.00D-01 BMatC= 1.04D-07 BMatP= 7.07D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.413D-04-0.203D-04 0.114D-07 0.469D-05 0.606D-04-0.995D-05 Coeff-Com: 0.420D-05-0.709D-03-0.100D-02-0.197D-02-0.831D-02-0.141D-02 Coeff-Com: 0.992D-02 0.151D-01 0.205D-01-0.855D-01-0.388D-01-0.683D-01 Coeff-Com: 0.418D+00 0.743D+00 Coeff: 0.413D-04-0.203D-04 0.114D-07 0.469D-05 0.606D-04-0.995D-05 Coeff: 0.420D-05-0.709D-03-0.100D-02-0.197D-02-0.831D-02-0.141D-02 Coeff: 0.992D-02 0.151D-01 0.205D-01-0.855D-01-0.388D-01-0.683D-01 Coeff: 0.418D+00 0.743D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.08D-06 MaxDP=8.56D-05 DE=-5.08D-07 OVMax= 5.67D-04 Cycle 24 Pass 1 IDiag 1: E= -1486.53451198034 Delta-E= -0.000000085638 Rises=F Damp=F DIIS: error= 4.97D-06 at cycle 24 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.53451198034 IErMin=20 ErrMin= 4.97D-06 ErrMax= 4.97D-06 EMaxC= 1.00D-01 BMatC= 3.29D-08 BMatP= 1.04D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.298D-04-0.154D-05-0.251D-05 0.396D-04 0.107D-05-0.877D-05 Coeff-Com: -0.201D-03-0.123D-03-0.931D-03-0.536D-02-0.831D-04 0.547D-02 Coeff-Com: 0.764D-02 0.959D-02-0.250D-01-0.144D-01-0.766D-01 0.826D-01 Coeff-Com: 0.408D+00 0.609D+00 Coeff: 0.298D-04-0.154D-05-0.251D-05 0.396D-04 0.107D-05-0.877D-05 Coeff: -0.201D-03-0.123D-03-0.931D-03-0.536D-02-0.831D-04 0.547D-02 Coeff: 0.764D-02 0.959D-02-0.250D-01-0.144D-01-0.766D-01 0.826D-01 Coeff: 0.408D+00 0.609D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.51D-06 MaxDP=2.58D-05 DE=-8.56D-08 OVMax= 1.59D-04 Cycle 25 Pass 1 IDiag 1: E= -1486.53451199096 Delta-E= -0.000000010624 Rises=F Damp=F DIIS: error= 3.16D-06 at cycle 25 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.53451199096 IErMin=20 ErrMin= 3.16D-06 ErrMax= 3.16D-06 EMaxC= 1.00D-01 BMatC= 1.34D-08 BMatP= 3.29D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.153D-04-0.204D-05 0.154D-04-0.270D-05-0.649D-05 0.116D-04 Coeff-Com: 0.126D-03-0.222D-03-0.207D-02 0.674D-03 0.158D-02 0.202D-02 Coeff-Com: 0.232D-02 0.399D-02-0.418D-03-0.532D-01-0.481D-01 0.131D+00 Coeff-Com: 0.498D+00 0.465D+00 Coeff: 0.153D-04-0.204D-05 0.154D-04-0.270D-05-0.649D-05 0.116D-04 Coeff: 0.126D-03-0.222D-03-0.207D-02 0.674D-03 0.158D-02 0.202D-02 Coeff: 0.232D-02 0.399D-02-0.418D-03-0.532D-01-0.481D-01 0.131D+00 Coeff: 0.498D+00 0.465D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.20D-07 MaxDP=1.52D-05 DE=-1.06D-08 OVMax= 7.99D-05 Cycle 26 Pass 1 IDiag 1: E= -1486.53451199488 Delta-E= -0.000000003919 Rises=F Damp=F DIIS: error= 1.10D-06 at cycle 26 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.53451199488 IErMin=20 ErrMin= 1.10D-06 ErrMax= 1.10D-06 EMaxC= 1.00D-01 BMatC= 1.47D-09 BMatP= 1.34D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.225D-06-0.214D-05-0.472D-05-0.156D-05 0.145D-03 0.190D-03 Coeff-Com: 0.363D-03 0.253D-03-0.180D-03-0.578D-03-0.695D-03-0.438D-03 Coeff-Com: 0.836D-02 0.221D-02-0.822D-02-0.408D-01-0.347D-01 0.638D-01 Coeff-Com: 0.218D+00 0.792D+00 Coeff: -0.225D-06-0.214D-05-0.472D-05-0.156D-05 0.145D-03 0.190D-03 Coeff: 0.363D-03 0.253D-03-0.180D-03-0.578D-03-0.695D-03-0.438D-03 Coeff: 0.836D-02 0.221D-02-0.822D-02-0.408D-01-0.347D-01 0.638D-01 Coeff: 0.218D+00 0.792D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.14D-07 MaxDP=8.58D-06 DE=-3.92D-09 OVMax= 4.73D-05 Cycle 27 Pass 1 IDiag 1: E= -1486.53451199569 Delta-E= -0.000000000810 Rises=F Damp=F DIIS: error= 2.98D-07 at cycle 27 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.53451199569 IErMin=20 ErrMin= 2.98D-07 ErrMax= 2.98D-07 EMaxC= 1.00D-01 BMatC= 9.33D-11 BMatP= 1.47D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.201D-05 0.163D-05-0.127D-06 0.342D-04 0.305D-04 0.116D-04 Coeff-Com: -0.185D-04-0.950D-04-0.131D-03 0.115D-03 0.426D-03-0.122D-02 Coeff-Com: -0.249D-03 0.570D-03 0.814D-02-0.393D-02-0.497D-01-0.454D-01 Coeff-Com: 0.281D-01 0.106D+01 Coeff: -0.201D-05 0.163D-05-0.127D-06 0.342D-04 0.305D-04 0.116D-04 Coeff: -0.185D-04-0.950D-04-0.131D-03 0.115D-03 0.426D-03-0.122D-02 Coeff: -0.249D-03 0.570D-03 0.814D-02-0.393D-02-0.497D-01-0.454D-01 Coeff: 0.281D-01 0.106D+01 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.30D-07 MaxDP=2.07D-06 DE=-8.10D-10 OVMax= 1.57D-05 Cycle 28 Pass 1 IDiag 1: E= -1486.53451199577 Delta-E= -0.000000000076 Rises=F Damp=F DIIS: error= 9.88D-08 at cycle 28 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.53451199577 IErMin=20 ErrMin= 9.88D-08 ErrMax= 9.88D-08 EMaxC= 1.00D-01 BMatC= 8.59D-12 BMatP= 9.33D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.700D-07-0.146D-06-0.153D-04-0.248D-04-0.353D-04 0.277D-04 Coeff-Com: 0.278D-04-0.204D-06 0.161D-04-0.609D-04-0.708D-03-0.965D-04 Coeff-Com: 0.168D-02 0.484D-02 0.178D-02-0.103D-01-0.289D-01-0.834D-01 Coeff-Com: 0.987D-01 0.102D+01 Coeff: 0.700D-07-0.146D-06-0.153D-04-0.248D-04-0.353D-04 0.277D-04 Coeff: 0.278D-04-0.204D-06 0.161D-04-0.609D-04-0.708D-03-0.965D-04 Coeff: 0.168D-02 0.484D-02 0.178D-02-0.103D-01-0.289D-01-0.834D-01 Coeff: 0.987D-01 0.102D+01 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.41D-08 MaxDP=1.01D-06 DE=-7.59D-11 OVMax= 5.99D-06 Cycle 29 Pass 1 IDiag 1: E= -1486.53451199578 Delta-E= -0.000000000010 Rises=F Damp=F DIIS: error= 7.16D-08 at cycle 29 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1486.53451199578 IErMin=20 ErrMin= 7.16D-08 ErrMax= 7.16D-08 EMaxC= 1.00D-01 BMatC= 2.71D-12 BMatP= 8.59D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.101D-06-0.580D-05-0.765D-05-0.991D-05 0.235D-04-0.165D-04 Coeff-Com: 0.188D-05-0.479D-06-0.178D-04-0.379D-03-0.290D-04 0.890D-03 Coeff-Com: 0.254D-02 0.922D-03-0.599D-02-0.149D-01-0.506D-01 0.203D-01 Coeff-Com: 0.486D+00 0.561D+00 Coeff: -0.101D-06-0.580D-05-0.765D-05-0.991D-05 0.235D-04-0.165D-04 Coeff: 0.188D-05-0.479D-06-0.178D-04-0.379D-03-0.290D-04 0.890D-03 Coeff: 0.254D-02 0.922D-03-0.599D-02-0.149D-01-0.506D-01 0.203D-01 Coeff: 0.486D+00 0.561D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.70D-08 MaxDP=3.91D-07 DE=-1.00D-11 OVMax= 1.93D-06 Cycle 30 Pass 1 IDiag 1: E= -1486.53451199578 Delta-E= 0.000000000001 Rises=F Damp=F DIIS: error= 2.38D-08 at cycle 30 NSaved= 20. NSaved=20 IEnMin=19 EnMin= -1486.53451199578 IErMin=20 ErrMin= 2.38D-08 ErrMax= 2.38D-08 EMaxC= 1.00D-01 BMatC= 5.60D-13 BMatP= 2.71D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.206D-05 0.549D-05 0.754D-05-0.133D-04-0.164D-04 0.754D-05 Coeff-Com: 0.189D-04 0.387D-04 0.724D-04-0.288D-04-0.465D-03-0.615D-03 Coeff-Com: 0.563D-03 0.288D-02 0.438D-02 0.885D-02-0.453D-01-0.158D+00 Coeff-Com: 0.201D+00 0.987D+00 Coeff: 0.206D-05 0.549D-05 0.754D-05-0.133D-04-0.164D-04 0.754D-05 Coeff: 0.189D-04 0.387D-04 0.724D-04-0.288D-04-0.465D-03-0.615D-03 Coeff: 0.563D-03 0.288D-02 0.438D-02 0.885D-02-0.453D-01-0.158D+00 Coeff: 0.201D+00 0.987D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.03D-08 MaxDP=2.07D-07 DE= 1.36D-12 OVMax= 1.49D-06 Cycle 31 Pass 1 IDiag 1: E= -1486.53451199578 Delta-E= 0.000000000000 Rises=F Damp=F DIIS: error= 9.64D-09 at cycle 31 NSaved= 20. NSaved=20 IEnMin=18 EnMin= -1486.53451199578 IErMin=20 ErrMin= 9.64D-09 ErrMax= 9.64D-09 EMaxC= 1.00D-01 BMatC= 5.34D-14 BMatP= 5.60D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.411D-07-0.804D-06-0.616D-05 0.650D-05 0.203D-05 0.261D-05 Coeff-Com: 0.979D-05 0.285D-04-0.104D-04-0.155D-03-0.251D-03 0.306D-03 Coeff-Com: 0.927D-03 0.158D-02 0.422D-02-0.146D-01-0.424D-01-0.275D-01 Coeff-Com: 0.918D-01 0.986D+00 Coeff: -0.411D-07-0.804D-06-0.616D-05 0.650D-05 0.203D-05 0.261D-05 Coeff: 0.979D-05 0.285D-04-0.104D-04-0.155D-03-0.251D-03 0.306D-03 Coeff: 0.927D-03 0.158D-02 0.422D-02-0.146D-01-0.424D-01-0.275D-01 Coeff: 0.918D-01 0.986D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.09D-09 MaxDP=7.44D-08 DE=-4.55D-13 OVMax= 3.93D-07 SCF Done: E(UB+HF-LYP) = -1486.53451200 A.U. after 31 cycles Convg = 0.3094D-08 -V/T = 2.4793 S**2 = 0.7549 KE= 1.004887057186D+03 PE=-6.998126394670D+03 EE= 2.822307108463D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7549, after 0.7500 Leave Link 502 at Sat Apr 12 23:53:18 2008, MaxMem= 1258291200 cpu: 303.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26144 -10.34436 -4.34573 -4.30099 -4.30073 Alpha occ. eigenvalues -- -4.29718 -4.28773 -4.28689 -4.28683 -2.85744 Alpha occ. eigenvalues -- -2.84980 -2.84900 -2.80985 -2.80898 -2.80843 Alpha occ. eigenvalues -- -2.80782 -2.80707 -2.80672 -2.80548 -2.80435 Alpha occ. eigenvalues -- -2.80305 -2.79710 -2.79624 -2.79617 -2.79400 Alpha occ. eigenvalues -- -2.79392 -2.79331 -2.79325 -2.79307 -2.79300 Alpha occ. eigenvalues -- -1.17758 -0.58104 -0.48102 -0.47456 -0.46327 Alpha occ. eigenvalues -- -0.35689 -0.34059 -0.33915 -0.32807 -0.32789 Alpha occ. eigenvalues -- -0.32515 -0.31169 -0.30878 -0.30843 -0.30755 Alpha occ. eigenvalues -- -0.29654 -0.29648 -0.29216 -0.28837 -0.28764 Alpha occ. eigenvalues -- -0.28606 -0.27998 -0.27952 -0.27385 -0.27209 Alpha occ. eigenvalues -- -0.27016 -0.26758 -0.26706 -0.26559 -0.26290 Alpha occ. eigenvalues -- -0.26285 -0.26170 -0.26035 -0.26027 -0.25935 Alpha occ. eigenvalues -- -0.25868 -0.25798 -0.25587 -0.25287 -0.25258 Alpha occ. eigenvalues -- -0.24773 -0.20904 -0.20680 -0.14621 Alpha virt. eigenvalues -- -0.08591 -0.08219 -0.07620 -0.07321 -0.07302 Alpha virt. eigenvalues -- -0.02912 -0.02591 -0.00715 -0.00308 0.00177 Alpha virt. eigenvalues -- 0.01656 0.02029 0.02788 0.03171 0.03445 Alpha virt. eigenvalues -- 0.03526 0.04263 0.04283 0.04893 0.04935 Alpha virt. eigenvalues -- 0.05240 0.05956 0.06165 0.07051 0.07165 Alpha virt. eigenvalues -- 0.08310 0.08385 0.08499 0.08830 0.09722 Alpha virt. eigenvalues -- 0.09830 0.10385 0.10389 0.11790 0.12138 Alpha virt. eigenvalues -- 0.18913 0.19106 0.19731 0.21666 0.23456 Alpha virt. eigenvalues -- 0.24325 0.24917 0.26816 0.27435 0.27842 Alpha virt. eigenvalues -- 0.30483 0.30910 0.34010 0.39552 0.41169 Alpha virt. eigenvalues -- 0.54056 0.63618 0.64634 0.65634 0.67092 Alpha virt. eigenvalues -- 0.67413 0.67801 0.69036 0.69758 0.71036 Alpha virt. eigenvalues -- 0.73494 0.77152 0.78569 0.81850 0.82689 Alpha virt. eigenvalues -- 0.84398 0.86006 0.86883 0.86931 0.89685 Alpha virt. eigenvalues -- 0.90171 0.91963 0.93900 0.98533 1.02893 Alpha virt. eigenvalues -- 1.03138 1.04779 1.06471 1.08250 1.16666 Alpha virt. eigenvalues -- 1.17915 1.21769 1.24945 1.28574 1.29067 Alpha virt. eigenvalues -- 1.29414 1.31328 1.31650 1.32008 1.35358 Alpha virt. eigenvalues -- 1.55654 1.68197 1.80325 1.84191 2.21381 Alpha virt. eigenvalues -- 2.24513 2.36400 10.22224 Beta occ. eigenvalues -- -19.26051 -10.34243 -4.34319 -4.30046 -4.30019 Beta occ. eigenvalues -- -4.29657 -4.28738 -4.28641 -4.28634 -2.85439 Beta occ. eigenvalues -- -2.84769 -2.84641 -2.80899 -2.80861 -2.80837 Beta occ. eigenvalues -- -2.80786 -2.80618 -2.80572 -2.80450 -2.80441 Beta occ. eigenvalues -- -2.80228 -2.79675 -2.79564 -2.79556 -2.79379 Beta occ. eigenvalues -- -2.79355 -2.79301 -2.79295 -2.79256 -2.79250 Beta occ. eigenvalues -- -1.17546 -0.57753 -0.47694 -0.47334 -0.45598 Beta occ. eigenvalues -- -0.35223 -0.33911 -0.33818 -0.32603 -0.32451 Beta occ. eigenvalues -- -0.32174 -0.31035 -0.30747 -0.30673 -0.30483 Beta occ. eigenvalues -- -0.29595 -0.29588 -0.29201 -0.28748 -0.28532 Beta occ. eigenvalues -- -0.28470 -0.27919 -0.27850 -0.27206 -0.27045 Beta occ. eigenvalues -- -0.26980 -0.26618 -0.26592 -0.26482 -0.26233 Beta occ. eigenvalues -- -0.26122 -0.26075 -0.25958 -0.25927 -0.25780 Beta occ. eigenvalues -- -0.25748 -0.25739 -0.25299 -0.25190 -0.25144 Beta occ. eigenvalues -- -0.24747 -0.20592 -0.20379 Beta virt. eigenvalues -- -0.10064 -0.08062 -0.07836 -0.07121 -0.07077 Beta virt. eigenvalues -- -0.06980 -0.02308 -0.02044 -0.00488 -0.00162 Beta virt. eigenvalues -- 0.00684 0.01841 0.02090 0.02929 0.03345 Beta virt. eigenvalues -- 0.03691 0.03728 0.04304 0.04334 0.05038 Beta virt. eigenvalues -- 0.05092 0.05359 0.06109 0.06305 0.07152 Beta virt. eigenvalues -- 0.07259 0.08305 0.08391 0.08502 0.09116 Beta virt. eigenvalues -- 0.09844 0.10090 0.10445 0.10448 0.12180 Beta virt. eigenvalues -- 0.12495 0.19280 0.19589 0.20055 0.21796 Beta virt. eigenvalues -- 0.23679 0.24607 0.25209 0.27012 0.27728 Beta virt. eigenvalues -- 0.28080 0.30761 0.31058 0.34298 0.39658 Beta virt. eigenvalues -- 0.41449 0.54321 0.64030 0.64887 0.65923 Beta virt. eigenvalues -- 0.67240 0.67679 0.68035 0.69179 0.69964 Beta virt. eigenvalues -- 0.71248 0.73714 0.77297 0.78738 0.82135 Beta virt. eigenvalues -- 0.82937 0.84686 0.86178 0.87068 0.87193 Beta virt. eigenvalues -- 0.90054 0.90564 0.92289 0.94120 0.98713 Beta virt. eigenvalues -- 1.03135 1.03479 1.05102 1.06751 1.08582 Beta virt. eigenvalues -- 1.16856 1.18115 1.22092 1.25200 1.28837 Beta virt. eigenvalues -- 1.29298 1.29615 1.31517 1.31892 1.32176 Beta virt. eigenvalues -- 1.35699 1.55813 1.68386 1.80449 1.84356 Beta virt. eigenvalues -- 2.21539 2.24845 2.36560 10.22375 Alpha Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.26144 -10.34436 -4.34573 -4.30099 -4.30073 1 1 Cu 1S -0.00010 0.00028 0.00038 0.00860 0.00434 2 2S -0.00017 0.00039 -0.00075 -0.00063 -0.00032 3 3S -0.00013 -0.00251 -0.00355 -0.00080 -0.00043 4 4PX 0.00000 -0.00001 0.00002 0.00008 0.00010 5 4PY 0.00001 -0.00006 0.00008 0.00007 0.00003 6 4PZ 0.00000 0.00000 0.00002 0.00016 0.00004 7 5PX -0.00002 0.00001 0.00063 -0.00023 0.00068 8 5PY 0.00015 0.00026 0.00184 -0.00014 -0.00019 9 5PZ -0.00006 -0.00004 0.00050 0.00037 -0.00035 10 6PX -0.00011 0.00055 0.00044 0.00047 -0.00019 11 6PY 0.00013 0.00038 0.00018 0.00075 0.00045 12 6PZ -0.00017 0.00069 0.00057 0.00014 0.00037 13 7D 0 0.00000 0.00000 0.00003 -0.00008 0.00006 14 7D+1 0.00000 -0.00001 0.00000 -0.00004 -0.00006 15 7D-1 0.00000 -0.00003 0.00001 -0.00005 0.00001 16 7D+2 0.00000 -0.00001 0.00005 -0.00002 -0.00007 17 7D-2 0.00000 -0.00002 -0.00001 -0.00001 -0.00002 18 8D 0 0.00002 0.00001 -0.00006 0.00026 -0.00016 19 8D+1 0.00001 0.00005 -0.00006 0.00017 0.00020 20 8D-1 -0.00001 0.00016 -0.00016 0.00015 -0.00002 21 8D+2 0.00002 0.00004 -0.00011 0.00004 0.00021 22 8D-2 -0.00001 0.00011 -0.00008 0.00004 0.00007 23 2 Cu 1S -0.00004 0.00045 0.00026 0.95062 -0.31664 24 2S -0.00008 0.00072 -0.00144 0.00854 -0.00387 25 3S -0.00095 0.00264 -0.00173 0.00642 -0.00436 26 4PX 0.00000 0.00000 0.00002 0.00215 -0.00061 27 4PY 0.00000 -0.00002 0.00010 0.00238 -0.00080 28 4PZ 0.00000 0.00002 -0.00011 -0.00214 0.00063 29 5PX 0.00001 -0.00020 0.00036 -0.00137 0.00157 30 5PY 0.00022 -0.00117 0.00188 -0.00185 0.00024 31 5PZ -0.00015 0.00111 -0.00196 0.00166 -0.00142 32 6PX -0.00001 -0.00024 0.00052 -0.00129 0.00114 33 6PY -0.00018 -0.00008 0.00080 -0.00093 -0.00014 34 6PZ -0.00053 -0.00006 0.00064 0.00054 -0.00070 35 7D 0 0.00000 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0.06300 0.34638 0.77364 0.17549 -0.06994 51 5PX 0.01994 0.00199 0.00480 0.00033 -0.00241 52 5PY 0.00394 -0.00572 -0.01246 0.00422 -0.00117 53 5PZ -0.00004 0.00584 0.01539 0.00651 -0.00183 54 6PX -0.01584 0.00194 0.00224 -0.00078 0.00831 55 6PY -0.01663 -0.00092 0.00290 0.00416 0.00108 56 6PZ -0.00430 -0.00249 -0.01643 -0.00186 0.00256 57 7D 0 0.00028 0.00037 0.00067 -0.00009 0.00008 58 7D+1 0.00020 -0.00038 -0.00057 -0.00011 -0.00002 59 7D-1 0.00028 0.00044 0.00081 -0.00007 0.00012 60 7D+2 -0.00087 0.00029 0.00039 0.00009 -0.00004 61 7D-2 0.00072 0.00041 0.00063 -0.00004 0.00001 62 8D 0 -0.00038 0.00029 -0.00030 0.00061 -0.00049 63 8D+1 0.00074 0.00068 -0.00054 -0.00006 0.00061 64 8D-1 -0.00042 -0.00049 0.00018 0.00206 -0.00145 65 8D+2 -0.00071 -0.00072 0.00066 -0.00143 0.00079 66 8D-2 0.00031 0.00048 -0.00058 0.00009 0.00032 67 4 Cu 1S 0.00004 -0.00160 -0.00053 -0.00076 0.00000 68 2S 0.00001 -0.00029 -0.00011 -0.00034 0.00000 69 3S 0.00013 -0.00330 -0.00091 -0.01081 -0.00006 70 4PX 0.00101 -0.00041 0.00481 0.00266 -0.00098 71 4PY -0.00038 -0.00689 -0.00297 -0.00082 0.00016 72 4PZ -0.00116 0.00403 -0.00219 0.00388 0.00071 73 5PX 0.00007 -0.00259 0.00282 0.00348 -0.00260 74 5PY -0.00087 -0.00025 -0.00059 0.00005 0.00039 75 5PZ -0.00057 -0.00146 -0.00314 0.00488 0.00191 76 6PX 0.01031 -0.00160 0.00397 0.00102 0.01034 77 6PY 0.00111 -0.00452 -0.00234 -0.00070 -0.00159 78 6PZ -0.00504 0.00125 -0.00291 0.00127 -0.00731 79 7D 0 0.00013 -0.00001 0.00018 -0.00009 0.00009 80 7D+1 -0.00007 -0.00002 -0.00010 -0.00011 -0.00004 81 7D-1 -0.00005 0.00028 0.00002 0.00001 -0.00001 82 7D+2 -0.00007 0.00020 0.00000 -0.00007 -0.00004 83 7D-2 0.00011 0.00008 0.00018 0.00002 0.00003 84 8D 0 -0.00087 0.00010 -0.00089 0.00037 -0.00076 85 8D+1 0.00045 0.00036 0.00056 0.00040 0.00033 86 8D-1 0.00026 -0.00163 -0.00028 0.00009 0.00004 87 8D+2 0.00057 -0.00117 -0.00003 0.00040 0.00038 88 8D-2 -0.00058 -0.00057 -0.00077 -0.00002 -0.00025 89 5 Cu 1S -0.00050 -0.00060 0.00034 -0.00094 -0.00134 90 2S 0.00024 0.00020 -0.00002 -0.00121 -0.00021 91 3S 0.00266 -0.00415 -0.00042 -0.00470 0.00026 92 4PX -0.00614 -0.00204 -0.00058 -0.00855 -0.05444 93 4PY 0.02067 0.02584 -0.01408 0.00706 0.02925 94 4PZ 0.00308 0.00987 -0.00525 0.00496 0.00617 95 5PX -0.00060 -0.00230 0.00123 0.00304 -0.00073 96 5PY 0.00124 -0.00094 -0.00032 -0.00052 0.00163 97 5PZ 0.00161 -0.00002 0.00011 0.00027 0.00281 98 6PX 0.00112 0.00503 -0.00488 0.00339 -0.00338 99 6PY 0.00272 0.00067 0.00131 0.00252 -0.00174 100 6PZ -0.00386 -0.00096 -0.00245 0.00039 -0.00776 101 7D 0 0.00013 0.00009 -0.00007 -0.00001 0.00028 102 7D+1 0.00002 0.00005 0.00000 -0.00001 0.00017 103 7D-1 -0.00016 -0.00014 0.00007 -0.00002 -0.00009 104 7D+2 0.00019 0.00026 -0.00017 -0.00002 -0.00029 105 7D-2 0.00011 0.00012 -0.00007 0.00002 0.00044 106 8D 0 -0.00060 -0.00062 0.00044 0.00010 -0.00129 107 8D+1 -0.00011 -0.00027 -0.00007 0.00033 -0.00072 108 8D-1 0.00096 0.00037 -0.00016 -0.00008 0.00033 109 8D+2 -0.00104 -0.00138 0.00089 0.00037 0.00176 110 8D-2 -0.00048 -0.00070 0.00041 0.00012 -0.00191 111 6 Cu 1S 0.00023 -0.00056 -0.00022 0.00107 -0.00002 112 2S 0.00017 -0.00134 -0.00042 -0.00399 0.00000 113 3S -0.00147 -0.00999 -0.00387 0.05332 0.00016 114 4PX 0.04339 -0.07044 0.01266 0.49739 0.79987 115 4PY -0.02262 -0.10454 -0.04899 0.57915 -0.11989 116 4PZ -0.05230 -0.05402 -0.05320 0.58182 -0.56023 117 5PX 0.00030 -0.00524 0.00093 0.01681 0.01753 118 5PY -0.00059 -0.00256 -0.00150 0.01448 -0.00260 119 5PZ -0.00133 -0.00520 -0.00395 0.02071 -0.01219 120 6PX 0.00588 0.00225 -0.00330 0.00182 -0.02101 121 6PY -0.00045 -0.00487 -0.00093 -0.00753 0.00319 122 6PZ -0.00338 0.00130 0.00322 0.00428 0.01477 123 7D 0 0.00019 -0.00004 0.00021 -0.00041 0.00094 124 7D+1 -0.00003 0.00022 0.00001 -0.00120 -0.00034 125 7D-1 0.00016 0.00028 0.00025 -0.00098 0.00051 126 7D+2 -0.00014 0.00007 -0.00016 -0.00018 -0.00071 127 7D-2 -0.00005 0.00029 -0.00004 -0.00078 -0.00048 128 8D 0 -0.00055 0.00008 -0.00122 0.00056 0.00051 129 8D+1 0.00009 -0.00070 0.00020 0.00032 -0.00017 130 8D-1 -0.00048 -0.00075 -0.00095 -0.00063 0.00028 131 8D+2 0.00048 -0.00071 0.00072 0.00061 -0.00038 132 8D-2 0.00007 -0.00083 0.00039 -0.00056 -0.00023 133 7 Cu 1S 0.00091 -0.00027 -0.00064 -0.00093 0.00132 134 2S -0.00017 0.00011 0.00014 -0.00119 0.00019 135 3S -0.00207 -0.00388 -0.00238 -0.00470 -0.00025 136 4PX -0.01469 0.00719 0.01519 0.00866 -0.02830 137 4PY -0.02916 0.01001 0.02490 0.00439 -0.01621 138 4PZ 0.01050 -0.00166 -0.00112 -0.00705 0.05189 139 5PX -0.00267 0.00010 0.00058 -0.00083 -0.00314 140 5PY -0.00077 -0.00125 -0.00084 0.00007 -0.00103 141 5PZ 0.00022 -0.00084 -0.00223 0.00295 -0.00006 142 6PX 0.00533 -0.00203 -0.00118 -0.00011 0.00646 143 6PY -0.00523 0.00158 0.00051 0.00301 0.00128 144 6PZ 0.00015 0.00005 0.00694 0.00310 0.00559 145 7D 0 -0.00016 0.00008 0.00018 -0.00002 0.00030 146 7D+1 -0.00011 0.00004 0.00004 0.00000 -0.00047 147 7D-1 -0.00014 0.00005 0.00015 0.00001 -0.00022 148 7D+2 -0.00015 0.00002 0.00014 -0.00003 0.00012 149 7D-2 0.00035 -0.00009 -0.00025 -0.00002 0.00014 150 8D 0 0.00093 -0.00040 -0.00082 0.00040 -0.00169 151 8D+1 0.00045 -0.00023 -0.00027 0.00023 0.00218 152 8D-1 0.00055 -0.00033 -0.00097 0.00015 0.00083 153 8D+2 0.00076 -0.00020 -0.00095 0.00010 -0.00070 154 8D-2 -0.00186 0.00032 0.00104 -0.00015 -0.00047 155 8 C 1S 0.00000 -0.00002 -0.00001 -0.00002 0.00000 156 2S 0.00006 -0.00069 -0.00024 -0.00018 0.00001 157 3S -0.00019 0.00183 0.00069 0.00082 -0.00003 158 4PX 0.00000 0.00006 0.00014 0.00001 -0.00006 159 4PY 0.00000 -0.00036 -0.00014 0.00000 0.00001 160 4PZ -0.00002 0.00025 0.00000 0.00001 0.00004 161 5PX -0.00066 0.00121 -0.00182 -0.00044 0.00044 162 5PY 0.00018 0.00064 0.00056 -0.00197 -0.00009 163 5PZ 0.00065 0.00026 0.00163 -0.00013 -0.00030 164 9 O 1S 0.00000 0.00000 0.00000 0.00001 0.00000 165 2S -0.00001 0.00012 0.00005 0.00033 0.00000 166 3S 0.00006 -0.00059 -0.00025 -0.00140 0.00000 167 4PX -0.00001 0.00012 -0.00008 0.00000 0.00005 168 4PY 0.00002 -0.00007 0.00000 -0.00005 -0.00001 169 4PZ 0.00002 0.00011 0.00012 0.00001 -0.00003 170 5PX 0.00018 -0.00065 0.00060 0.00013 -0.00022 171 5PY -0.00010 -0.00009 -0.00017 -0.00002 0.00004 172 5PZ -0.00017 -0.00039 -0.00069 0.00020 0.00016 21 22 23 24 25 O O O O O EIGENVALUES -- -2.80305 -2.79710 -2.79624 -2.79617 -2.79400 1 1 Cu 1S -0.00007 -0.00207 0.00064 0.00088 -0.00001 2 2S 0.00006 0.00552 0.00108 0.00149 0.00000 3 3S 0.00381 -0.04848 0.00704 0.00967 -0.00011 4 4PX -0.00220 0.53048 -0.00117 -0.00322 0.81333 5 4PY -0.00160 0.54007 -0.00206 -0.00274 -0.13091 6 4PZ -0.00271 0.64369 -0.00290 -0.00302 -0.56052 7 5PX -0.00084 0.01534 0.00064 -0.00186 0.01700 8 5PY -0.00076 0.01731 -0.00250 -0.00301 -0.00271 9 5PZ -0.00104 0.01817 -0.00135 0.00004 -0.01168 10 6PX 0.00169 0.00082 0.00037 -0.00336 -0.00791 11 6PY -0.00245 0.00079 -0.00178 -0.00181 0.00130 12 6PZ 0.00296 0.00096 -0.00304 -0.00141 0.00543 13 7D 0 -0.00002 0.00029 0.00000 0.00004 -0.00151 14 7D+1 -0.00004 0.00162 0.00001 0.00000 0.00054 15 7D-1 0.00000 0.00171 -0.00007 -0.00003 -0.00098 16 7D+2 -0.00001 -0.00010 0.00004 0.00000 0.00124 17 7D-2 0.00000 0.00143 0.00001 -0.00007 0.00096 18 8D 0 0.00012 0.00040 0.00004 -0.00026 -0.00047 19 8D+1 0.00020 0.00022 -0.00009 -0.00004 0.00021 20 8D-1 -0.00005 -0.00010 0.00037 0.00012 0.00003 21 8D+2 0.00005 0.00047 -0.00024 0.00000 0.00023 22 8D-2 -0.00003 -0.00020 -0.00006 0.00036 -0.00017 23 2 Cu 1S 0.00069 0.00168 -0.00176 0.00083 -0.00003 24 2S 0.00155 0.00027 -0.00042 0.00164 0.00152 25 3S 0.00646 0.02051 -0.02199 0.00018 -0.01733 26 4PX 0.02237 0.00498 -0.00652 -0.00114 -0.00780 27 4PY -0.00781 0.01350 0.05198 0.00687 -0.00785 28 4PZ 0.01273 0.05625 0.00753 0.00235 -0.02680 29 5PX -0.00176 0.00084 -0.00095 -0.00166 -0.00136 30 5PY -0.00434 -0.00066 0.00459 0.00044 0.00224 31 5PZ 0.00069 0.00435 -0.00151 0.00042 0.00009 32 6PX -0.00466 0.00185 -0.00169 0.00061 0.00710 33 6PY 0.00373 0.00035 0.00555 -0.00213 -0.00085 34 6PZ -0.00128 0.00625 -0.00088 0.00182 -0.00537 35 7D 0 0.00007 0.00037 0.00021 0.00004 -0.00036 36 7D+1 -0.00003 0.00007 0.00002 0.00004 -0.00004 37 7D-1 0.00002 0.00022 -0.00016 -0.00001 -0.00015 38 7D+2 0.00000 0.00000 0.00032 0.00003 0.00000 39 7D-2 -0.00014 0.00003 0.00008 -0.00002 -0.00001 40 8D 0 -0.00063 -0.00262 -0.00148 -0.00028 0.00244 41 8D+1 -0.00005 -0.00033 -0.00009 -0.00023 -0.00012 42 8D-1 -0.00013 -0.00122 0.00089 0.00005 0.00080 43 8D+2 -0.00010 -0.00005 -0.00228 -0.00021 0.00005 44 8D-2 0.00109 -0.00015 -0.00042 0.00013 -0.00012 45 3 Cu 1S 0.00069 0.00167 0.00130 -0.00144 0.00004 46 2S 0.00156 0.00029 0.00169 0.00007 -0.00152 47 3S 0.00635 0.02043 0.00671 -0.02095 0.01739 48 4PX 0.00349 0.05359 -0.00194 0.01960 0.02457 49 4PY -0.00517 0.00607 -0.00837 0.04786 0.00554 50 4PZ 0.02819 0.02259 0.00211 -0.01088 0.01578 51 5PX 0.00034 0.00369 0.00104 0.00012 -0.00092 52 5PY -0.00464 -0.00107 -0.00129 0.00433 -0.00180 53 5PZ -0.00074 0.00241 -0.00077 -0.00243 0.00153 54 6PX 0.00096 0.00517 0.00077 0.00106 0.00748 55 6PY 0.00287 -0.00022 -0.00365 0.00422 -0.00146 56 6PZ -0.00536 0.00387 0.00221 -0.00213 -0.00474 57 7D 0 0.00000 -0.00010 -0.00001 0.00017 -0.00010 58 7D+1 -0.00002 0.00025 0.00001 0.00009 0.00023 59 7D-1 -0.00011 0.00007 -0.00004 0.00009 0.00003 60 7D+2 0.00010 0.00031 -0.00003 0.00023 0.00030 61 7D-2 0.00003 0.00011 0.00007 -0.00027 0.00005 62 8D 0 -0.00013 0.00072 0.00014 -0.00121 0.00086 63 8D+1 -0.00010 -0.00165 -0.00011 -0.00050 -0.00121 64 8D-1 0.00093 -0.00034 0.00029 -0.00060 0.00001 65 8D+2 -0.00082 -0.00216 0.00026 -0.00174 -0.00214 66 8D-2 -0.00024 -0.00048 -0.00045 0.00170 -0.00013 67 4 Cu 1S 0.00110 0.00040 -0.00039 -0.00054 0.00000 68 2S 0.00054 -0.00040 0.00051 0.00070 0.00001 69 3S 0.00350 0.02958 -0.02633 -0.03577 -0.00019 70 4PX -0.00349 0.00214 -0.00389 0.00865 -0.00040 71 4PY -0.00042 0.00698 0.00204 0.00067 0.00001 72 4PZ -0.00487 0.00155 0.00827 0.00152 0.00024 73 5PX -0.00267 0.00114 -0.00105 0.00149 -0.00246 74 5PY -0.00416 0.00121 0.00195 0.00217 0.00047 75 5PZ -0.00285 0.00143 0.00111 -0.00061 0.00169 76 6PX -0.00365 0.00007 0.00000 0.00519 -0.00303 77 6PY -0.00373 0.00246 0.00225 0.00219 0.00044 78 6PZ -0.00444 -0.00028 0.00477 0.00281 0.00228 79 7D 0 0.00013 -0.00016 -0.00035 0.00016 0.00000 80 7D+1 0.00013 0.00003 0.00019 0.00002 0.00000 81 7D-1 -0.00009 0.00012 -0.00017 -0.00004 0.00000 82 7D+2 0.00010 -0.00024 0.00004 -0.00036 0.00000 83 7D-2 -0.00008 0.00017 0.00005 -0.00004 0.00000 84 8D 0 -0.00050 0.00077 0.00187 -0.00089 0.00002 85 8D+1 -0.00034 -0.00017 -0.00110 -0.00019 0.00001 86 8D-1 0.00057 -0.00077 0.00109 0.00030 0.00014 87 8D+2 -0.00042 0.00115 -0.00021 0.00203 -0.00009 88 8D-2 0.00050 -0.00092 -0.00030 0.00033 -0.00018 89 5 Cu 1S 0.00105 -0.00079 0.00198 0.00130 0.00055 90 2S 0.00047 -0.00141 -0.00552 0.00087 0.00096 91 3S 0.00559 -0.00871 0.04884 0.01800 0.00735 92 4PX 0.04341 -0.00219 -0.50534 -0.07619 -0.00566 93 4PY -0.02114 0.00138 0.67638 0.10324 0.00451 94 4PZ -0.01225 0.00192 0.50100 0.07527 -0.01262 95 5PX -0.00245 -0.00033 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0.00413 45 3 Cu 1S 0.00149 0.00098 0.00084 0.00011 -0.00215 46 2S 0.00136 0.00512 -0.01414 0.00100 0.02597 47 3S 0.02129 -0.01548 -0.01805 0.02775 0.04941 48 4PX 0.00005 -0.00117 0.00296 -0.00034 -0.00517 49 4PY -0.00011 0.00131 -0.00358 0.00040 0.00660 50 4PZ -0.00017 -0.00010 -0.00030 -0.00002 0.00085 51 5PX 0.00504 0.00251 -0.00366 0.00287 0.01165 52 5PY -0.00541 0.00101 0.00916 -0.00537 -0.01966 53 5PZ 0.00315 -0.00133 0.00108 0.00038 0.00301 54 6PX 0.00482 -0.02915 -0.02398 0.00433 0.01193 55 6PY -0.00244 -0.01391 -0.01573 -0.01171 -0.00210 56 6PZ -0.00178 -0.01479 -0.01285 0.00824 0.00911 57 7D 0 -0.00018 -0.00215 0.00602 -0.00109 -0.01106 58 7D+1 -0.00005 0.00008 0.00033 0.00062 -0.00192 59 7D-1 0.00007 -0.00013 -0.00052 -0.00028 0.00297 60 7D+2 -0.00006 -0.00074 0.00071 -0.00079 -0.00363 61 7D-2 -0.00019 -0.00344 0.00938 -0.00147 -0.01711 62 8D 0 0.00104 0.00079 0.00214 -0.00048 -0.00393 63 8D+1 0.00041 -0.00039 0.00051 0.00012 -0.00140 64 8D-1 -0.00053 0.00018 -0.00083 -0.00026 0.00231 65 8D+2 0.00029 0.00046 -0.00013 -0.00060 -0.00104 66 8D-2 0.00072 -0.00001 0.00319 -0.00039 -0.00472 67 4 Cu 1S 0.00113 -0.01109 0.00950 -0.00003 -0.00556 68 2S 0.01236 0.08215 -0.09529 0.00023 0.16039 69 3S -0.10763 -0.21510 0.06627 0.00070 -0.07464 70 4PX -0.00003 -0.01007 0.00575 -0.00742 -0.01628 71 4PY 0.00174 0.02636 -0.02887 0.00147 0.02840 72 4PZ -0.00046 -0.02044 0.01525 0.00541 -0.02943 73 5PX 0.00468 0.00095 -0.00238 -0.00037 0.02715 74 5PY -0.02865 -0.02573 0.02712 -0.00066 -0.04594 75 5PZ 0.01322 0.00787 -0.00931 -0.00018 0.04923 76 6PX 0.00035 0.03391 0.03762 0.04444 0.02224 77 6PY -0.03020 0.08680 0.10234 -0.01135 -0.07743 78 6PZ 0.00797 0.02633 0.02991 -0.03542 0.04971 79 7D 0 -0.00064 0.00312 0.02142 -0.04258 0.04292 80 7D+1 -0.00054 0.02648 -0.02180 0.02143 0.09954 81 7D-1 0.00011 -0.06563 0.10700 0.02550 -0.17579 82 7D+2 -0.00070 -0.03411 0.08659 0.00795 -0.05159 83 7D-2 0.00028 -0.03289 0.04440 -0.04685 -0.09957 84 8D 0 0.00216 0.00038 0.00672 -0.01170 0.01134 85 8D+1 0.00773 0.01025 -0.00429 0.00589 0.02885 86 8D-1 -0.01704 -0.02853 0.02608 0.00680 -0.05555 87 8D+2 -0.00713 -0.01563 0.02300 0.00229 -0.01833 88 8D-2 -0.00905 -0.01409 0.01021 -0.01256 -0.03097 89 5 Cu 1S 0.00111 -0.00008 0.00129 -0.00037 -0.00112 90 2S 0.00144 0.00721 -0.01342 0.00510 0.01874 91 3S 0.01833 0.07530 0.00123 0.00831 -0.02394 92 4PX 0.00001 0.00067 -0.00121 -0.00023 0.00184 93 4PY 0.00005 -0.00015 0.00049 0.00063 -0.00233 94 4PZ 0.00005 -0.00242 0.00362 -0.00158 -0.00428 95 5PX -0.00346 -0.00786 -0.00041 -0.00212 0.00493 96 5PY 0.00357 0.00614 0.00104 0.00307 -0.00328 97 5PZ 0.00335 0.01602 -0.00381 0.00783 0.00265 98 6PX 0.00015 -0.00833 -0.00488 -0.01142 -0.00277 99 6PY 0.00710 -0.01695 -0.02225 0.00403 0.01138 100 6PZ 0.00347 0.03406 0.01102 -0.00473 -0.02024 101 7D 0 0.00009 0.00319 -0.00552 0.00356 0.00523 102 7D+1 0.00006 -0.00101 0.00306 0.00172 -0.00467 103 7D-1 -0.00022 -0.00021 0.00080 -0.00347 0.00515 104 7D+2 -0.00004 -0.00019 0.00107 0.00001 -0.00109 105 7D-2 0.00005 -0.00054 0.00163 0.00043 -0.00552 106 8D 0 -0.00037 0.00057 -0.00188 0.00279 0.00138 107 8D+1 -0.00061 -0.00039 0.00050 0.00039 -0.00141 108 8D-1 0.00169 0.00038 0.00097 -0.00151 0.00190 109 8D+2 0.00024 -0.00031 0.00053 -0.00021 -0.00058 110 8D-2 -0.00050 -0.00062 0.00063 -0.00022 -0.00213 111 6 Cu 1S 0.00140 0.00079 0.00100 -0.00001 -0.00174 112 2S 0.00107 0.00464 -0.01171 0.00000 0.02431 113 3S -0.00767 -0.02033 0.00674 -0.00044 0.05831 114 4PX 0.00020 -0.00081 0.00214 -0.00003 -0.00446 115 4PY 0.00003 -0.00001 0.00028 0.00000 -0.00089 116 4PZ 0.00028 -0.00114 0.00298 0.00002 -0.00614 117 5PX 0.00013 0.00012 -0.00130 -0.00144 0.01393 118 5PY 0.00053 0.00646 0.00008 0.00024 -0.00802 119 5PZ 0.00000 -0.00119 -0.00173 0.00084 0.02164 120 6PX -0.00093 -0.00018 0.00533 -0.01267 0.00369 121 6PY -0.00189 -0.01574 -0.01203 0.00244 0.00594 122 6PZ -0.00108 0.00413 0.01028 0.00847 0.00377 123 7D 0 0.00011 0.00154 -0.00338 0.00046 0.00875 124 7D+1 0.00012 0.00253 -0.00600 -0.00017 0.01432 125 7D-1 0.00000 -0.00004 -0.00103 0.00034 0.00374 126 7D+2 0.00010 0.00085 -0.00195 -0.00043 0.00614 127 7D-2 -0.00002 -0.00002 -0.00082 -0.00034 0.00235 128 8D 0 -0.00059 -0.00023 -0.00102 0.00073 0.00334 129 8D+1 -0.00038 0.00050 -0.00176 -0.00034 0.00486 130 8D-1 0.00009 0.00093 -0.00114 -0.00002 0.00172 131 8D+2 -0.00068 -0.00040 -0.00094 -0.00039 0.00281 132 8D-2 0.00023 0.00086 -0.00071 0.00026 0.00089 133 7 Cu 1S 0.00101 -0.00014 0.00132 0.00035 -0.00106 134 2S 0.00134 0.00728 -0.01398 -0.00514 0.01866 135 3S 0.01888 0.07536 0.00034 -0.01026 -0.02567 136 4PX 0.00003 -0.00253 0.00398 0.00128 -0.00497 137 4PY 0.00005 0.00037 -0.00037 -0.00076 -0.00132 138 4PZ 0.00001 -0.00024 0.00014 0.00089 0.00056 139 5PX 0.00504 0.01838 -0.00401 -0.00911 -0.00038 140 5PY 0.00233 0.00182 0.00143 -0.00131 -0.00239 141 5PZ -0.00260 -0.00244 -0.00192 -0.00041 0.00584 142 6PX 0.00461 0.03077 0.00659 -0.00114 -0.01561 143 6PY 0.00667 -0.02267 -0.02349 -0.00003 0.01295 144 6PZ 0.00014 0.00728 0.00266 0.01265 -0.01138 145 7D 0 -0.00001 -0.00159 0.00385 -0.00011 -0.00419 146 7D+1 0.00014 0.00104 -0.00108 -0.00367 -0.00187 147 7D-1 -0.00006 -0.00084 0.00247 0.00128 -0.00346 148 7D+2 -0.00005 0.00261 -0.00458 -0.00098 0.00755 149 7D-2 -0.00021 -0.00102 0.00232 0.00338 0.00400 150 8D 0 -0.00010 -0.00050 0.00111 0.00064 -0.00128 151 8D+1 -0.00098 -0.00004 -0.00093 -0.00200 -0.00077 152 8D-1 0.00029 -0.00055 0.00132 0.00108 -0.00136 153 8D+2 0.00068 0.00063 -0.00123 -0.00146 0.00222 154 8D-2 0.00150 0.00031 0.00129 0.00172 0.00178 155 8 C 1S -0.11663 -0.16364 0.03254 -0.00009 -0.07893 156 2S 0.24181 0.38838 -0.05305 0.00021 0.15146 157 3S 0.06199 0.29959 -0.11768 -0.00010 0.22887 158 4PX 0.03155 -0.00952 0.24734 0.32165 0.04619 159 4PY -0.22144 -0.02695 -0.05428 -0.06051 0.46476 160 4PZ 0.09962 -0.00600 0.34878 -0.23775 -0.05617 161 5PX -0.00429 -0.01229 0.03488 0.05307 0.01581 162 5PY 0.04602 0.06854 0.01392 -0.00982 0.02172 163 5PZ -0.01746 -0.03436 0.04323 -0.03898 0.01591 164 9 O 1S -0.21147 0.12588 0.01800 -0.00004 -0.02535 165 2S 0.46601 -0.28467 -0.03300 0.00005 0.04137 166 3S 0.31169 -0.37727 -0.08826 0.00033 0.14404 167 4PX -0.02880 -0.06210 0.29746 0.49510 0.22378 168 4PY 0.20754 0.38653 0.39598 -0.09427 -0.20545 169 4PZ -0.09232 -0.18344 0.30074 -0.36519 0.35705 170 5PX 0.00156 -0.01585 0.11552 0.18927 0.07949 171 5PY -0.01561 0.09469 0.11688 -0.03589 -0.01260 172 5PZ 0.00608 -0.04585 0.12632 -0.13972 0.11140 36 37 38 39 40 O O O O O EIGENVALUES -- -0.35689 -0.34059 -0.33915 -0.32807 -0.32789 1 1 Cu 1S -0.00974 0.00312 -0.00010 0.00032 0.00024 2 2S 0.11769 -0.12205 0.00341 0.02576 0.02124 3 3S 0.02160 -0.09209 0.00247 0.00936 0.00769 4 4PX 0.01411 -0.01467 -0.00300 -0.00379 0.00581 5 4PY 0.01381 -0.01794 0.00100 0.00454 0.00235 6 4PZ 0.01713 -0.01700 0.00279 0.00267 -0.00385 7 5PX -0.00886 0.03771 -0.00912 0.00547 -0.01097 8 5PY -0.00575 0.04916 0.00000 -0.00725 -0.00362 9 5PZ -0.01141 0.04364 0.00468 -0.00642 0.00506 10 6PX -0.00328 -0.01507 0.00743 -0.02359 0.01422 11 6PY -0.00563 -0.04658 -0.00057 0.00093 -0.00406 12 6PZ -0.00303 -0.01164 -0.00479 0.00100 -0.02192 13 7D 0 0.01853 0.00559 0.03131 0.00263 -0.05125 14 7D+1 0.07151 -0.09678 -0.00873 -0.04003 -0.02162 15 7D-1 0.07022 -0.12848 0.02301 0.03874 -0.06464 16 7D+2 0.00433 0.03406 -0.02619 -0.04992 0.03022 17 7D-2 0.05700 -0.11307 -0.01705 -0.06224 0.07126 18 8D 0 0.00613 0.00067 0.01100 0.00057 -0.01759 19 8D+1 0.02425 -0.03676 -0.00315 -0.01475 -0.00884 20 8D-1 0.02265 -0.04891 0.00726 0.01467 -0.02470 21 8D+2 0.00088 0.01052 -0.00877 -0.01742 0.01162 22 8D-2 0.01869 -0.04221 -0.00473 -0.02444 0.02720 23 2 Cu 1S -0.01405 0.00169 0.00039 0.00013 -0.00276 24 2S 0.22516 -0.06321 0.08595 0.02033 -0.01302 25 3S -0.04650 -0.07212 0.18329 0.02953 -0.12255 26 4PX 0.02760 -0.00260 0.00235 -0.01083 -0.00440 27 4PY 0.02478 0.00589 0.01851 0.00475 0.00259 28 4PZ -0.02372 0.02084 -0.00532 -0.00363 0.00584 29 5PX -0.03743 0.02337 -0.04646 0.01803 0.01064 30 5PY -0.01847 0.02145 -0.04403 -0.00677 0.02372 31 5PZ 0.01846 -0.02008 0.05019 0.00872 -0.02900 32 6PX 0.03213 0.02540 -0.04330 -0.01629 -0.01038 33 6PY 0.02906 0.03738 0.03620 -0.01101 0.02420 34 6PZ -0.03512 0.05867 0.00636 0.01089 0.01179 35 7D 0 -0.00939 -0.21329 -0.04329 0.04603 -0.06718 36 7D+1 -0.10828 0.07572 0.02299 0.12403 0.05116 37 7D-1 -0.03497 0.00831 -0.06826 -0.05947 0.04593 38 7D+2 -0.00817 -0.05550 -0.14333 -0.10602 -0.08620 39 7D-2 0.11468 0.06200 0.05120 -0.11099 -0.03245 40 8D 0 -0.00290 -0.07374 -0.01563 0.01562 -0.02376 41 8D+1 -0.03890 0.02690 0.00567 0.04585 0.01851 42 8D-1 -0.01140 0.00288 -0.02399 -0.02031 0.01607 43 8D+2 -0.00396 -0.01996 -0.04792 -0.03576 -0.02974 44 8D-2 0.04153 0.02064 0.01994 -0.04115 -0.01115 45 3 Cu 1S -0.01403 0.00167 -0.00061 -0.00266 0.00080 46 2S 0.22517 -0.06626 -0.08117 -0.00686 0.02452 47 3S -0.04486 -0.07897 -0.18154 -0.11021 0.06044 48 4PX -0.02583 0.02122 0.00101 0.00749 -0.00086 49 4PY 0.03298 0.00144 -0.01892 0.00183 0.00286 50 4PZ 0.01370 0.00407 0.00202 -0.00507 -0.01113 51 5PX 0.02548 -0.02344 -0.05190 -0.02399 0.00791 52 5PY -0.02826 0.03066 0.05789 0.02703 -0.01178 53 5PZ -0.02547 0.01243 0.01858 0.00076 0.02030 54 6PX -0.03639 0.05149 -0.02823 0.02182 0.00815 55 6PY 0.03942 0.03080 -0.02607 0.01582 -0.01978 56 6PZ 0.01295 0.04089 0.04146 -0.01136 -0.00827 57 7D 0 -0.08700 0.05810 0.07950 -0.00773 0.00811 58 7D+1 -0.05473 -0.03557 -0.04390 0.04261 0.11873 59 7D-1 0.09108 0.05237 0.02003 -0.07224 -0.15107 60 7D+2 -0.02339 -0.20700 0.14854 -0.09247 -0.02113 61 7D-2 -0.08273 0.07009 0.01907 0.09979 0.00074 62 8D 0 -0.03227 0.02014 0.02794 -0.00133 0.00557 63 8D+1 -0.01914 -0.01167 -0.01324 0.01525 0.04209 64 8D-1 0.03308 0.01703 0.00442 -0.02529 -0.05435 65 8D+2 -0.00827 -0.07188 0.05114 -0.03239 -0.00697 66 8D-2 -0.02859 0.02490 0.00839 0.03528 0.00152 67 4 Cu 1S -0.00556 0.00025 -0.00002 -0.00141 -0.00114 68 2S 0.17897 -0.03574 0.00249 0.11596 0.09153 69 3S 0.07661 0.01886 -0.00089 -0.01367 -0.01103 70 4PX 0.02692 0.00475 -0.01506 0.00100 -0.00388 71 4PY -0.04650 0.01860 0.00169 0.00855 0.00739 72 4PZ 0.04844 0.00344 0.01074 -0.00570 -0.00148 73 5PX -0.06372 0.00843 -0.00636 0.00948 -0.00775 74 5PY 0.11666 -0.01224 0.00185 0.00382 0.00543 75 5PZ -0.11629 0.01502 0.00315 -0.00313 0.00886 76 6PX 0.01454 -0.00786 -0.00864 0.05572 -0.03100 77 6PY 0.02031 0.00117 0.00065 0.00480 0.01510 78 6PZ 0.01546 -0.01187 0.00643 -0.00160 0.05134 79 7D 0 0.04672 0.39591 0.48772 -0.23710 0.13443 80 7D+1 0.03735 0.19671 -0.24734 -0.40138 -0.37836 81 7D-1 0.00664 -0.03845 -0.13654 -0.05248 0.50281 82 7D+2 0.05884 0.48162 -0.20636 0.42892 -0.06933 83 7D-2 -0.01206 -0.15185 0.33160 0.36014 -0.39081 84 8D 0 0.01585 0.12928 0.15845 -0.07429 0.04130 85 8D+1 0.01507 0.06402 -0.08048 -0.12929 -0.12048 86 8D-1 -0.00318 -0.00970 -0.04570 -0.01417 0.16259 87 8D+2 0.01651 0.15832 -0.06655 0.13763 -0.02013 88 8D-2 -0.00661 -0.04783 0.10928 0.11668 -0.12412 89 5 Cu 1S -0.01025 -0.00097 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0.00434 -0.01507 -0.01310 -0.00049 110 8D-2 -0.03092 -0.02129 -0.03090 0.01236 -0.00798 111 6 Cu 1S -0.01378 0.00168 -0.00011 -0.00281 -0.00223 112 2S 0.22778 0.05908 -0.00065 -0.00609 -0.00587 113 3S -0.01960 0.19611 -0.00544 -0.11342 -0.09262 114 4PX -0.02618 -0.00737 -0.01518 0.00556 -0.00229 115 4PY -0.01287 0.00247 0.00230 0.00467 0.00469 116 4PZ -0.03448 -0.01022 0.01091 -0.00060 0.00447 117 5PX 0.02718 0.04764 -0.01077 -0.02180 -0.01900 118 5PY 0.02494 0.01919 0.00109 0.00225 0.00177 119 5PZ 0.03327 0.06394 0.00495 -0.03279 -0.02589 120 6PX -0.02800 0.00005 -0.04399 0.00460 -0.00662 121 6PY -0.00854 0.05332 0.00612 0.02359 0.01982 122 6PZ -0.03813 -0.00893 0.03082 -0.00999 -0.00098 123 7D 0 0.06484 0.05010 -0.18168 0.05130 -0.06862 124 7D+1 0.09284 0.04671 0.07122 -0.08544 -0.02172 125 7D-1 0.07941 -0.02011 -0.03542 -0.05874 -0.04692 126 7D+2 0.06897 0.05639 0.10910 -0.01248 0.04688 127 7D-2 0.04566 -0.02582 0.00239 -0.04189 -0.05998 128 8D 0 0.02292 0.01867 -0.06229 0.01681 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-0.00363 -0.01582 -0.02317 46 47 48 49 50 O O O O O EIGENVALUES -- -0.29654 -0.29648 -0.29216 -0.28837 -0.28764 1 1 Cu 1S 0.00120 0.00159 -0.00005 0.00012 -0.00265 2 2S 0.02471 0.03146 -0.00057 -0.00388 0.04821 3 3S 0.06309 0.08144 -0.00216 -0.00188 -0.03935 4 4PX -0.00506 0.00810 -0.00352 0.00306 0.00315 5 4PY 0.00336 0.00202 0.00049 -0.00076 0.00389 6 4PZ 0.00746 -0.00071 0.00239 -0.00268 0.00348 7 5PX 0.00483 -0.02002 0.00553 0.00631 0.00541 8 5PY -0.01418 -0.01417 -0.00053 -0.00035 -0.00664 9 5PZ -0.01749 -0.00423 -0.00343 -0.00354 0.00908 10 6PX -0.00569 -0.00711 -0.00790 -0.00563 0.01160 11 6PY 0.01783 0.02307 0.00075 0.00158 -0.00605 12 6PZ -0.01153 -0.01553 0.00629 0.00282 0.01839 13 7D 0 0.26567 -0.12613 0.13848 -0.24119 -0.02396 14 7D+1 -0.09622 0.05743 -0.04859 0.09923 -0.10025 15 7D-1 0.16666 0.05437 0.07211 -0.07043 0.12783 16 7D+2 -0.05701 0.24042 -0.10768 0.14803 0.08724 17 7D-2 -0.01555 0.07819 -0.06820 0.02696 0.05342 18 8D 0 0.08878 -0.04406 0.04636 -0.07997 -0.00937 19 8D+1 -0.03384 0.01781 -0.01604 0.03309 -0.03634 20 8D-1 0.05823 0.02094 0.02522 -0.02317 0.04477 21 8D+2 -0.01957 0.08090 -0.03654 0.04896 0.02940 22 8D-2 -0.00381 0.02805 -0.02444 0.00857 0.01891 23 2 Cu 1S 0.00084 -0.00279 -0.00069 0.00039 -0.00336 24 2S 0.02210 -0.04089 -0.01990 -0.04081 0.07880 25 3S 0.05238 -0.13136 -0.04321 0.02706 0.06184 26 4PX -0.00025 -0.00070 0.00048 0.00548 0.00465 27 4PY -0.00423 -0.00147 -0.00895 -0.00562 0.00357 28 4PZ -0.00574 0.00096 -0.00606 0.00448 -0.00421 29 5PX -0.00544 0.01999 0.00504 -0.01440 -0.00953 30 5PY -0.00056 0.00310 0.03494 0.00041 -0.01169 31 5PZ 0.00894 -0.01324 0.02346 -0.02122 0.01168 32 6PX -0.00100 0.00637 0.00259 0.01949 -0.01134 33 6PY -0.07342 0.01409 -0.01731 -0.01574 0.00178 34 6PZ -0.04801 -0.03241 -0.02868 0.02086 -0.00065 35 7D 0 0.41638 0.10361 0.21528 -0.15368 -0.00800 36 7D+1 0.25173 -0.00126 0.04448 -0.00598 0.30643 37 7D-1 0.07333 -0.09174 -0.03290 -0.16822 -0.13108 38 7D+2 0.20979 0.09232 0.16925 0.28340 0.02942 39 7D-2 0.14890 0.13957 0.14328 0.25070 -0.27481 40 8D 0 0.13944 0.03502 0.06986 -0.05006 -0.00365 41 8D+1 0.08478 -0.00046 0.01408 -0.00121 0.10318 42 8D-1 0.02471 -0.03178 -0.01096 -0.05437 -0.04422 43 8D+2 0.07024 0.03097 0.05513 0.09117 0.01150 44 8D-2 0.04981 0.04777 0.04668 0.08138 -0.09285 45 3 Cu 1S -0.00290 0.00013 0.00076 -0.00020 -0.00340 46 2S -0.04438 0.01192 0.02089 0.03579 0.08023 47 3S -0.13866 0.01937 0.04673 -0.02957 0.05727 48 4PX 0.00241 -0.00543 0.00758 -0.00068 -0.00461 49 4PY -0.00062 -0.00344 0.00781 0.00475 0.00511 50 4PZ 0.00026 -0.00160 0.00044 -0.00719 0.00191 51 5PX -0.02044 0.00444 -0.02663 0.01473 0.01184 52 5PY 0.00853 -0.00148 -0.03187 0.00084 -0.01405 53 5PZ 0.01330 0.00143 -0.00837 0.02011 -0.00179 54 6PX -0.01221 -0.06283 0.03309 -0.00990 0.00273 55 6PY 0.03566 -0.05726 0.01293 0.01344 0.00074 56 6PZ -0.00460 -0.00852 0.00553 -0.02620 -0.01233 57 7D 0 -0.02106 0.11851 -0.05257 -0.22125 0.25446 58 7D+1 -0.03145 0.39591 -0.15535 0.06851 0.16174 59 7D-1 0.05985 0.19039 -0.15503 -0.25288 -0.30410 60 7D+2 -0.03066 0.31842 -0.18339 0.09850 -0.03511 61 7D-2 -0.13988 -0.09891 0.15524 0.24623 0.04357 62 8D 0 -0.00731 0.03989 -0.01704 -0.07200 0.08749 63 8D+1 -0.01019 0.13310 -0.05030 0.02157 0.05335 64 8D-1 0.02059 0.06389 -0.05057 -0.08174 -0.10196 65 8D+2 -0.01059 0.10653 -0.05964 0.03274 -0.01174 66 8D-2 -0.04823 -0.03321 0.05091 0.07934 0.01431 67 4 Cu 1S -0.00016 -0.00020 0.00000 -0.00003 0.00120 68 2S 0.00284 0.00371 -0.00007 -0.00029 -0.00055 69 3S -0.00038 -0.00085 -0.00014 -0.00024 -0.05458 70 4PX -0.00153 -0.00067 0.00233 0.00760 0.00319 71 4PY -0.00127 -0.00164 -0.00035 -0.00040 -0.01889 72 4PZ -0.00075 -0.00178 -0.00166 -0.00541 0.00892 73 5PX 0.00641 -0.00137 -0.00476 -0.00722 0.01975 74 5PY 0.00166 0.00303 0.00066 -0.00024 0.01519 75 5PZ -0.00090 0.00562 0.00349 0.00486 0.02236 76 6PX -0.03113 0.05132 0.01781 0.02209 -0.01139 77 6PY 0.03143 0.02800 -0.00362 -0.00366 0.04939 78 6PZ 0.04283 -0.00825 -0.01329 -0.01367 -0.02917 79 7D 0 0.20950 -0.01515 0.00486 0.01681 0.06061 80 7D+1 -0.07505 0.01515 -0.00367 -0.02639 0.15856 81 7D-1 0.02364 -0.04186 -0.00971 -0.06029 -0.18254 82 7D+2 0.04136 0.23101 -0.00036 0.01854 -0.05999 83 7D-2 -0.06280 -0.05438 0.01656 0.09613 -0.09288 84 8D 0 0.06384 -0.00451 0.00190 0.00660 0.01760 85 8D+1 -0.02315 0.00438 -0.00127 -0.00859 0.04722 86 8D-1 0.00732 -0.01139 -0.00297 -0.01803 -0.05687 87 8D+2 0.01330 0.07071 -0.00031 0.00470 -0.01954 88 8D-2 -0.01806 -0.01672 0.00515 0.02925 -0.02888 89 5 Cu 1S -0.00208 0.00041 0.00088 0.00056 -0.00171 90 2S -0.02818 0.00459 -0.00389 -0.07820 0.02348 91 3S -0.09941 0.01884 0.01756 -0.10832 0.00771 92 4PX -0.00108 0.00655 0.00715 -0.00499 0.00117 93 4PY 0.00513 0.00367 0.00555 0.00850 -0.00299 94 4PZ 0.00170 0.00112 0.00144 0.00252 -0.00060 95 5PX 0.01057 -0.01543 -0.01260 0.02532 -0.00259 96 5PY -0.01903 -0.00526 -0.00673 -0.02780 -0.00801 97 5PZ -0.01437 0.00069 -0.00061 -0.00863 0.01384 98 6PX 0.01162 0.00251 0.00579 -0.00493 0.00596 99 6PY -0.02248 0.00785 0.01595 -0.00075 -0.01647 100 6PZ 0.03399 -0.00352 -0.00702 -0.01748 0.01597 101 7D 0 0.18496 -0.03081 -0.03514 0.13672 -0.13284 102 7D+1 0.01211 0.01224 -0.05234 -0.04421 0.00437 103 7D-1 -0.11393 -0.02721 -0.07572 -0.02061 0.13120 104 7D+2 0.07423 0.23805 0.34755 0.08114 0.00347 105 7D-2 0.00110 -0.08903 -0.11639 -0.04756 0.10094 106 8D 0 0.06218 -0.01025 -0.01224 0.04611 -0.04432 107 8D+1 0.00584 0.00481 -0.01874 -0.01503 -0.00013 108 8D-1 -0.04173 -0.00828 -0.02569 -0.00638 0.04623 109 8D+2 0.02421 0.08097 0.11723 0.02647 0.00267 110 8D-2 -0.00069 -0.03024 -0.03890 -0.01658 0.03642 111 6 Cu 1S 0.00168 0.00215 -0.00006 0.00010 -0.00389 112 2S 0.02911 0.03825 -0.00108 0.00059 0.05696 113 3S 0.08408 0.10872 -0.00348 -0.00027 -0.00002 114 4PX 0.00110 -0.00207 -0.00872 0.00604 -0.00186 115 4PY -0.00047 0.00001 0.00135 -0.00054 -0.00386 116 4PZ -0.00175 0.00014 0.00621 -0.00440 -0.00219 117 5PX 0.01570 0.00292 0.03433 0.00346 0.00022 118 5PY 0.00850 0.01335 -0.00570 -0.00120 0.00615 119 5PZ 0.00144 0.01437 -0.02470 -0.00172 -0.00128 120 6PX 0.04644 -0.01245 -0.04962 0.00631 -0.00236 121 6PY -0.00540 0.00388 0.00753 0.00022 -0.00295 122 6PZ -0.00654 0.04280 0.03396 -0.00482 -0.00337 123 7D 0 0.13376 -0.18362 -0.24596 0.00184 -0.12303 124 7D+1 -0.17760 -0.03857 0.13282 -0.04309 -0.02958 125 7D-1 -0.16034 0.05264 0.15335 -0.23154 -0.19040 126 7D+2 -0.04766 0.01206 0.06456 0.11406 -0.23445 127 7D-2 0.18760 -0.21646 -0.27490 0.31198 -0.05068 128 8D 0 0.04470 -0.06253 -0.08143 -0.00054 -0.04312 129 8D+1 -0.06106 -0.01433 0.04402 -0.01358 -0.01047 130 8D-1 -0.05475 0.01759 0.05076 -0.07592 -0.06482 131 8D+2 -0.01606 0.00383 0.02140 0.03823 -0.08160 132 8D-2 0.06347 -0.07374 -0.09097 0.10216 -0.01695 133 7 Cu 1S 0.00088 -0.00195 -0.00082 -0.00046 -0.00167 134 2S 0.01110 -0.02549 0.00440 0.08040 0.02752 135 3S 0.04206 -0.09189 -0.01532 0.11248 0.01795 136 4PX -0.00100 0.00267 -0.00020 -0.00572 -0.00168 137 4PY 0.00327 0.00535 -0.00685 -0.00688 -0.00301 138 4PZ 0.00580 0.00022 -0.00650 0.00534 0.00166 139 5PX 0.00922 -0.01860 -0.00176 0.02184 0.01392 140 5PY -0.00427 -0.01578 0.00968 0.02248 -0.00840 141 5PZ -0.01432 0.00434 0.01115 -0.02539 0.00187 142 6PX -0.00820 0.02221 0.00485 0.01493 0.01110 143 6PY 0.01441 -0.02196 -0.01724 -0.00047 -0.01668 144 6PZ -0.00624 0.02559 -0.00143 0.00982 0.01391 145 7D 0 0.19580 0.05755 -0.27469 0.01202 0.01451 146 7D+1 -0.10658 0.07852 0.17315 -0.01517 -0.05918 147 7D-1 0.00046 -0.03090 0.01064 0.01980 0.14723 148 7D+2 0.06366 0.14895 -0.16736 -0.15050 -0.09397 149 7D-2 -0.00665 -0.16087 0.13195 0.05670 0.11846 150 8D 0 0.06661 0.02055 -0.09215 0.00468 0.00426 151 8D+1 -0.03597 0.02794 0.05930 -0.00499 -0.02085 152 8D-1 0.00106 -0.01271 0.00329 0.00702 0.05301 153 8D+2 0.02249 0.04869 -0.05631 -0.05080 -0.03018 154 8D-2 -0.00097 -0.05592 0.04490 0.01830 0.04013 155 8 C 1S -0.00051 -0.00070 0.00000 -0.00042 0.01786 156 2S 0.00043 0.00052 0.00002 0.00082 -0.03204 157 3S 0.00612 0.00858 -0.00010 0.00180 -0.09495 158 4PX -0.00040 0.01190 -0.00172 -0.00934 0.00432 159 4PY 0.00662 0.00641 0.00023 0.00253 -0.04847 160 4PZ 0.01131 0.00561 0.00102 0.00548 0.01847 161 5PX 0.00402 -0.00182 -0.00255 -0.00153 0.01040 162 5PY 0.00028 0.00104 0.00040 0.00063 -0.02873 163 5PZ -0.00128 0.00307 0.00183 0.00041 0.02140 164 9 O 1S 0.00002 0.00004 0.00000 0.00010 -0.00324 165 2S 0.00047 0.00064 -0.00002 -0.00034 0.01113 166 3S -0.00159 -0.00244 0.00000 -0.00020 0.00516 167 4PX -0.00164 -0.02093 0.00415 0.01922 -0.00494 168 4PY -0.00885 -0.00798 -0.00062 -0.00388 0.03726 169 4PZ -0.02104 -0.01323 -0.00256 -0.01176 -0.01666 170 5PX -0.00130 -0.00984 0.00268 0.01007 -0.00404 171 5PY -0.00585 -0.00612 -0.00037 -0.00174 0.01216 172 5PZ -0.00962 -0.00626 -0.00173 -0.00618 -0.00886 51 52 53 54 55 O O O O O EIGENVALUES -- -0.28606 -0.27998 -0.27952 -0.27385 -0.27209 1 1 Cu 1S -0.00090 0.00002 -0.00251 0.00001 -0.00019 2 2S 0.08799 -0.00044 0.02014 -0.00015 0.00219 3 3S 0.11103 0.00096 -0.10640 0.00030 0.00170 4 4PX 0.00651 0.00283 0.00007 0.00275 0.00057 5 4PY 0.00423 -0.00055 0.00706 -0.00042 0.00028 6 4PZ 0.00808 -0.00197 -0.00155 -0.00197 0.00055 7 5PX -0.02286 0.01162 0.00990 -0.00989 -0.00024 8 5PY -0.01536 -0.00206 0.02277 0.00178 -0.01220 9 5PZ -0.02974 -0.00816 0.00854 0.00677 0.00272 10 6PX 0.00531 0.00732 0.01064 0.01135 -0.00249 11 6PY -0.02033 -0.00168 0.01676 -0.00195 0.00487 12 6PZ 0.01229 -0.00490 0.01167 -0.00777 -0.00527 13 7D 0 0.05978 0.00313 -0.15645 -0.00338 -0.03445 14 7D+1 -0.01619 -0.03172 0.00154 0.01274 -0.27723 15 7D-1 0.02343 -0.19507 0.10187 0.02340 0.17463 16 7D+2 0.14224 0.08799 -0.22268 -0.01716 0.18744 17 7D-2 -0.02473 0.27069 0.15021 -0.04114 0.03701 18 8D 0 0.02011 0.00124 -0.05166 -0.00145 -0.01211 19 8D+1 -0.00593 -0.01072 0.00085 0.00435 -0.09371 20 8D-1 0.00729 -0.06510 0.03481 0.00729 0.05787 21 8D+2 0.04787 0.02925 -0.07339 -0.00533 0.06224 22 8D-2 -0.00885 0.09043 0.05045 -0.01307 0.01205 23 2 Cu 1S 0.00048 -0.00069 0.00078 0.00124 -0.00024 24 2S 0.01535 -0.04222 0.01185 -0.00804 0.00244 25 3S 0.00274 -0.14361 0.06119 -0.01466 0.03439 26 4PX -0.00347 -0.00221 0.00090 0.00410 -0.00280 27 4PY -0.00242 -0.00446 0.00611 -0.00643 0.00387 28 4PZ -0.00798 0.00708 0.00141 0.00434 -0.00299 29 5PX 0.00767 0.03369 -0.01892 -0.02206 0.01213 30 5PY -0.01373 0.01360 -0.03091 0.03320 -0.02492 31 5PZ 0.00318 -0.03783 -0.01735 -0.02749 0.01728 32 6PX -0.00982 0.01227 -0.00674 -0.01509 0.00898 33 6PY 0.01075 0.01811 0.00387 0.00662 -0.01466 34 6PZ -0.00656 -0.01178 0.01914 -0.01664 0.00857 35 7D 0 0.12137 0.03258 0.09350 0.21903 -0.02492 36 7D+1 0.23062 -0.25315 -0.03169 -0.25282 0.07379 37 7D-1 0.11022 0.28647 -0.13517 -0.18458 0.07197 38 7D+2 -0.11658 0.04651 0.02885 -0.29975 0.21058 39 7D-2 0.15045 0.12438 -0.13012 0.24868 -0.17856 40 8D 0 0.03784 0.00940 0.03002 0.07049 -0.00797 41 8D+1 0.07469 -0.08100 -0.01076 -0.08112 0.02482 42 8D-1 0.03561 0.09630 -0.04480 -0.06054 0.02344 43 8D+2 -0.03820 0.01530 0.00831 -0.09647 0.06750 44 8D-2 0.05004 0.03946 -0.04126 0.08080 -0.05604 45 3 Cu 1S 0.00050 0.00062 0.00083 -0.00122 -0.00027 46 2S 0.01866 0.04283 0.01302 0.00832 0.00315 47 3S 0.00406 0.14333 0.06689 0.01254 0.03733 48 4PX -0.00689 -0.00633 0.00187 -0.00122 -0.00126 49 4PY -0.00152 0.00573 0.00594 0.00587 0.00390 50 4PZ -0.00613 -0.00105 0.00039 -0.00590 -0.00458 51 5PX -0.00059 0.04344 -0.01411 0.01086 0.00827 52 5PY -0.01267 -0.02484 -0.03156 -0.03035 -0.02605 53 5PZ 0.01141 -0.01509 -0.01959 0.03301 0.02272 54 6PX -0.00142 0.01114 0.02059 0.00941 0.00275 55 6PY 0.00970 -0.02134 -0.00169 -0.00485 -0.01449 56 6PZ -0.01486 -0.00467 -0.00050 0.01999 0.01461 57 7D 0 -0.04789 0.17354 0.01877 0.45574 0.26273 58 7D+1 0.30685 0.17292 0.00670 -0.08334 -0.06450 59 7D-1 0.09168 -0.23667 -0.16392 -0.04664 -0.06492 60 7D+2 -0.02695 -0.17909 0.07327 0.03511 0.13429 61 7D-2 0.12809 -0.13544 -0.12608 0.25301 0.09026 62 8D 0 -0.01566 0.05537 0.00499 0.14666 0.08459 63 8D+1 0.09898 0.05642 0.00220 -0.02730 -0.01958 64 8D-1 0.03081 -0.07739 -0.05303 -0.01534 -0.01975 65 8D+2 -0.01033 -0.05831 0.02260 0.01196 0.04259 66 8D-2 0.04147 -0.04758 -0.04186 0.08256 0.02924 67 4 Cu 1S -0.00028 0.00005 -0.00081 -0.00003 0.00021 68 2S 0.00392 -0.00067 0.01163 0.00049 -0.00526 69 3S 0.02446 -0.00057 0.01095 -0.00035 0.00503 70 4PX -0.00470 0.02736 -0.01476 -0.00806 0.00261 71 4PY -0.00590 -0.00388 -0.02289 0.00104 0.00489 72 4PZ -0.00606 -0.01862 -0.01716 0.00546 0.00297 73 5PX -0.00554 -0.12518 0.06392 0.05502 -0.02513 74 5PY 0.00940 0.01663 0.13495 -0.00706 -0.04173 75 5PZ -0.00941 0.08691 0.06720 -0.03710 -0.02945 76 6PX -0.01793 -0.01826 0.00653 -0.01674 -0.00234 77 6PY -0.04295 0.00281 -0.00655 0.00225 -0.00477 78 6PZ -0.01817 0.01151 0.01046 0.01164 -0.00201 79 7D 0 0.04457 0.17106 0.15617 -0.10554 -0.04210 80 7D+1 0.10607 -0.09434 0.18828 0.05146 -0.03086 81 7D-1 0.06208 -0.11349 0.10384 0.02533 -0.02126 82 7D+2 0.02224 -0.04636 0.15814 0.04865 -0.05191 83 7D-2 0.05495 0.19783 0.05145 -0.06163 -0.00371 84 8D 0 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7D+2 -0.25701 -0.00696 -0.11427 -0.08565 -0.08753 105 7D-2 0.08193 0.01833 -0.03494 -0.18867 -0.13875 106 8D 0 0.04104 -0.04332 0.00486 0.05622 0.01890 107 8D+1 -0.01287 -0.00767 0.10136 0.00526 -0.01930 108 8D-1 0.01383 -0.08011 0.01021 -0.01349 -0.02373 109 8D+2 -0.08547 -0.00275 -0.03812 -0.02876 -0.03014 110 8D-2 0.02682 0.00624 -0.01196 -0.06477 -0.04717 111 6 Cu 1S 0.00026 -0.00002 -0.00093 -0.00005 0.00105 112 2S -0.07592 0.00167 -0.04865 0.00062 -0.02017 113 3S -0.02697 0.00386 -0.18771 -0.00055 -0.03931 114 4PX 0.00401 -0.00070 0.00513 0.00224 0.00261 115 4PY -0.00895 0.00011 -0.00109 -0.00019 -0.00799 116 4PZ 0.00704 0.00020 0.00769 -0.00175 0.00548 117 5PX -0.01355 0.01625 -0.03187 -0.00409 -0.01776 118 5PY 0.01986 -0.00221 -0.01668 -0.00014 0.03763 119 5PZ -0.02320 -0.00981 -0.04248 0.00367 -0.03385 120 6PX 0.00334 -0.00299 -0.01863 0.01309 -0.00840 121 6PY -0.03544 0.00050 -0.00474 -0.00262 0.02673 122 6PZ 0.01206 0.00269 -0.02513 -0.00895 -0.01834 123 7D 0 -0.00860 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-0.00019 -0.00466 0.01251 -0.01560 69 3S 0.00018 0.00165 0.04020 -0.10983 -0.00876 70 4PX -0.00026 0.00104 0.00066 -0.00141 -0.00688 71 4PY 0.00002 -0.00011 0.00014 -0.00211 0.00505 72 4PZ 0.00018 -0.00060 0.00080 -0.00130 -0.00223 73 5PX 0.00059 0.00371 -0.00403 0.02088 0.02910 74 5PY -0.00004 -0.00054 0.01016 -0.01799 0.00335 75 5PZ -0.00040 -0.00323 -0.00717 0.03251 -0.00900 76 6PX -0.00868 0.04984 0.03220 0.01839 0.04511 77 6PY 0.00203 -0.00628 0.06261 0.04397 -0.00374 78 6PZ 0.00672 -0.03428 0.03608 0.01444 -0.02716 79 7D 0 -0.00839 0.12883 -0.06294 -0.02147 0.02873 80 7D+1 0.00281 -0.05430 0.04525 0.01017 -0.04171 81 7D-1 -0.01414 0.01191 -0.00538 0.05885 0.07721 82 7D+2 0.01029 -0.07729 -0.12781 -0.02615 -0.01196 83 7D-2 0.01871 0.01720 0.04250 0.05039 0.01191 84 8D 0 -0.00218 0.03786 -0.01852 -0.00614 0.00791 85 8D+1 0.00071 -0.01605 0.01198 0.00245 -0.01257 86 8D-1 -0.00391 0.00288 -0.00272 0.01668 0.02316 87 8D+2 0.00278 -0.02248 -0.03712 -0.00719 -0.00212 88 8D-2 0.00520 0.00582 0.01134 0.01416 0.00399 89 5 Cu 1S 0.00027 -0.00171 0.00134 -0.00023 -0.00111 90 2S -0.00452 0.03253 -0.03282 0.02624 0.00309 91 3S 0.02120 -0.03705 0.01457 0.05440 -0.03884 92 4PX 0.00244 0.00243 -0.00236 0.00288 0.00234 93 4PY 0.00189 -0.00170 0.00219 -0.00324 0.00002 94 4PZ 0.00064 -0.00323 0.00288 -0.00151 0.00036 95 5PX 0.00075 0.01383 0.01203 -0.01346 -0.01229 96 5PY 0.00903 -0.00727 0.01328 0.01668 -0.00821 97 5PZ 0.00141 0.01204 -0.00844 0.01354 -0.01281 98 6PX 0.01062 -0.01449 -0.00551 -0.01246 -0.02076 99 6PY 0.00999 0.00086 -0.01751 -0.01062 -0.00447 100 6PZ 0.00505 0.00589 -0.00692 0.01727 -0.00967 101 7D 0 0.10611 0.00994 0.15306 -0.10668 -0.05159 102 7D+1 0.30624 0.38706 0.09100 0.22014 0.16902 103 7D-1 0.20624 -0.22726 0.29053 0.11218 0.28753 104 7D+2 0.12692 -0.02073 0.20627 0.15924 0.03132 105 7D-2 -0.03425 -0.27348 -0.11673 0.33176 0.21043 106 8D 0 0.03554 0.00229 0.05162 -0.03477 -0.01818 107 8D+1 0.10248 0.12922 0.03019 0.07223 0.05537 108 8D-1 0.06938 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0 0.04816 0.01304 0.03323 0.03377 -0.01927 129 8D+1 -0.01634 -0.00311 0.02827 0.01817 -0.00152 130 8D-1 0.03080 0.00998 0.02909 0.01613 0.00612 131 8D+2 -0.03832 -0.01054 0.04589 0.04909 0.00287 132 8D-2 -0.02958 -0.00984 0.01064 -0.00170 -0.00807 133 7 Cu 1S -0.00025 0.00177 0.00123 -0.00018 0.00095 134 2S 0.00415 -0.03414 -0.03068 0.02530 -0.04241 135 3S -0.01999 0.03694 0.01175 0.05534 -0.02860 136 4PX -0.00016 0.00426 0.00357 -0.00283 0.00521 137 4PY -0.00221 0.00081 0.00123 -0.00231 0.00343 138 4PZ -0.00220 -0.00146 -0.00138 0.00251 -0.00450 139 5PX -0.00278 -0.00586 -0.00876 0.02017 -0.00941 140 5PY -0.00845 0.00671 0.01602 0.01165 -0.01025 141 5PZ -0.00011 -0.01758 0.00708 -0.00975 0.02575 142 6PX -0.00311 -0.01079 -0.00779 0.01783 -0.00729 143 6PY -0.01121 0.00242 -0.01735 -0.01516 -0.00776 144 6PZ -0.01023 0.01149 -0.00616 -0.00318 0.02929 145 7D 0 -0.21537 -0.27179 0.17062 0.18402 -0.04234 146 7D+1 -0.22993 -0.25251 0.07132 0.12490 -0.28848 147 7D-1 -0.05533 0.34925 0.03795 0.37402 -0.15492 148 7D+2 -0.12739 0.12208 0.30272 -0.10714 0.09406 149 7D-2 -0.20116 0.04197 0.22300 0.04210 0.10530 150 8D 0 -0.07171 -0.09080 0.05616 0.06038 -0.01430 151 8D+1 -0.07710 -0.08400 0.02412 0.04101 -0.09421 152 8D-1 -0.01870 0.11548 0.01262 0.12235 -0.05087 153 8D+2 -0.04252 0.04180 0.10109 -0.03478 0.03176 154 8D-2 -0.06768 0.01405 0.07450 0.01405 0.03505 155 8 C 1S 0.00001 0.00008 0.00117 -0.00134 -0.01027 156 2S -0.00002 -0.00005 -0.00185 0.00541 0.02211 157 3S -0.00004 -0.00063 -0.00408 -0.00103 0.05421 158 4PX -0.00040 -0.00702 -0.00498 0.00023 0.00171 159 4PY 0.00006 0.00080 -0.00729 0.00498 0.02943 160 4PZ 0.00031 0.00457 -0.00565 -0.00112 -0.00837 161 5PX 0.00020 -0.00024 -0.00318 0.00583 -0.00414 162 5PY -0.00008 0.00018 0.00025 -0.01534 0.00833 163 5PZ -0.00014 0.00006 -0.00479 0.01185 0.00360 164 9 O 1S 0.00000 -0.00005 -0.00071 0.00054 0.00150 165 2S 0.00000 0.00007 0.00117 -0.00031 -0.00460 166 3S 0.00001 0.00045 0.00558 -0.00870 -0.00563 167 4PX 0.00116 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0.05662 -0.02436 14 7D+1 0.02822 0.35431 -0.00330 -0.03711 0.13833 15 7D-1 0.23811 0.17624 0.25102 -0.06898 0.17260 16 7D+2 0.14288 -0.06384 0.47295 0.02472 -0.08083 17 7D-2 0.42568 0.17811 0.02419 0.12887 0.16346 18 8D 0 -0.00788 0.02388 0.07852 0.01909 -0.00740 19 8D+1 0.01043 0.11623 -0.00035 -0.01221 0.04545 20 8D-1 0.07817 0.05849 0.08208 -0.02180 0.05634 21 8D+2 0.04723 -0.02148 0.15546 0.00751 -0.02576 22 8D-2 0.13836 0.05912 0.00780 0.04116 0.05315 23 2 Cu 1S 0.00183 0.00063 0.00137 -0.00014 -0.00042 24 2S -0.06348 -0.01422 0.00396 0.04016 -0.00128 25 3S 0.06920 0.02470 0.07356 0.02146 -0.02510 26 4PX -0.00019 0.00184 0.00174 0.00162 -0.00068 27 4PY 0.00054 0.00079 -0.00500 -0.00246 0.00038 28 4PZ -0.00097 0.00129 -0.00109 0.00299 -0.00154 29 5PX -0.00719 -0.01258 -0.00789 -0.01052 0.00766 30 5PY -0.01476 0.00466 0.02298 0.02302 0.00883 31 5PZ 0.02380 0.01001 0.02372 -0.01016 0.01606 32 6PX -0.01131 -0.01611 -0.00234 0.00042 0.00522 33 6PY -0.00508 0.00836 -0.00851 0.00215 -0.00564 34 6PZ 0.00922 0.00303 0.00682 -0.00277 -0.00021 35 7D 0 -0.01388 -0.09101 -0.16714 -0.00313 -0.13119 36 7D+1 0.06446 0.14315 -0.08910 0.09309 0.04316 37 7D-1 0.08205 -0.02466 -0.13055 -0.26790 0.10915 38 7D+2 -0.00702 -0.06935 -0.12828 -0.15343 -0.00376 39 7D-2 -0.03078 -0.03834 -0.05576 0.06921 0.11654 40 8D 0 -0.00438 -0.02895 -0.05357 -0.00071 -0.04183 41 8D+1 0.02130 0.04262 -0.02828 0.02959 0.01378 42 8D-1 0.02507 -0.00813 -0.04263 -0.08473 0.03468 43 8D+2 -0.00198 -0.02250 -0.04049 -0.04938 -0.00071 44 8D-2 -0.00929 -0.01417 -0.01812 0.02107 0.03759 45 3 Cu 1S 0.00126 0.00064 0.00144 0.00026 -0.00039 46 2S -0.04830 -0.01517 0.00650 -0.04136 -0.00119 47 3S 0.03378 0.02546 0.07885 -0.01595 -0.02398 48 4PX 0.00022 0.00066 -0.00229 -0.00197 -0.00086 49 4PY 0.00229 0.00093 -0.00449 0.00218 0.00058 50 4PZ -0.01028 0.00222 0.00225 -0.00295 -0.00118 51 5PX 0.01575 0.01471 0.02861 0.00360 0.01321 52 5PY -0.01948 0.00040 0.01795 -0.02099 0.00705 53 5PZ 0.05296 -0.00969 -0.00368 0.01727 0.01149 54 6PX 0.00596 0.00978 0.00595 0.00269 -0.00265 55 6PY -0.00381 0.00435 -0.00978 -0.00333 -0.00450 56 6PZ 0.02904 -0.01616 0.00145 0.00162 0.00626 57 7D 0 -0.08140 0.07617 -0.06959 0.04438 0.02321 58 7D+1 -0.17180 0.07013 -0.11722 -0.15225 -0.02286 59 7D-1 0.27739 -0.07265 -0.12216 0.08934 0.14891 60 7D+2 0.00487 -0.13380 -0.19654 0.19645 -0.09504 61 7D-2 0.10328 0.06322 -0.06862 0.19051 0.10106 62 8D 0 -0.02395 0.02272 -0.02157 0.01456 0.00772 63 8D+1 -0.05548 0.01986 -0.03756 -0.04846 -0.00732 64 8D-1 0.08699 -0.02485 -0.03955 0.02923 0.04795 65 8D+2 0.00151 -0.04161 -0.06291 0.06212 -0.03021 66 8D-2 0.03147 0.01984 -0.02268 0.05977 0.03184 67 4 Cu 1S -0.00072 -0.00043 -0.00027 -0.00002 0.00041 68 2S -0.02677 -0.00072 0.00097 -0.00026 0.00544 69 3S -0.01901 -0.02522 0.00863 0.00084 -0.00279 70 4PX -0.00254 0.00226 0.00874 -0.00199 0.00206 71 4PY 0.00748 0.00561 0.01360 0.00079 -0.00082 72 4PZ -0.01043 0.00222 0.00990 0.00168 0.00325 73 5PX -0.00189 -0.00411 -0.03710 -0.01802 0.00833 74 5PY 0.01204 -0.02269 -0.06315 0.00107 0.01637 75 5PZ 0.02235 -0.00166 -0.04265 0.01076 0.00804 76 6PX -0.02071 -0.01775 0.00756 -0.01873 0.02137 77 6PY 0.00755 -0.03172 0.01329 0.00344 0.03749 78 6PZ 0.02137 -0.01980 0.00696 0.01368 0.02302 79 7D 0 -0.04189 0.01038 -0.00123 0.02770 0.00023 80 7D+1 -0.04114 -0.05422 0.16129 -0.00207 0.01805 81 7D-1 0.08632 -0.00164 0.06060 0.04014 -0.03632 82 7D+2 0.05098 0.05116 -0.08463 -0.03335 -0.02022 83 7D-2 0.06653 -0.02472 0.09386 -0.03967 -0.01546 84 8D 0 -0.01168 0.00222 -0.00138 0.00733 -0.00072 85 8D+1 -0.01321 -0.01619 0.04467 -0.00011 0.00316 86 8D-1 0.02691 -0.00052 0.01697 0.01334 -0.01210 87 8D+2 0.01624 0.01388 -0.02501 -0.01002 -0.00630 88 8D-2 0.01980 -0.00696 0.02676 -0.01403 -0.00571 89 5 Cu 1S 0.00038 -0.00103 0.00000 -0.00057 0.00048 90 2S -0.04663 0.02585 0.02608 0.03194 0.02044 91 3S -0.05632 0.02687 0.03714 0.08543 0.06954 92 4PX -0.00457 0.00161 0.00377 0.00415 0.00465 93 4PY 0.00569 -0.00524 -0.00252 -0.00545 -0.00116 94 4PZ 0.00340 -0.00341 -0.00012 -0.00708 -0.00440 95 5PX 0.02212 0.00309 -0.01473 -0.02297 -0.02705 96 5PY -0.02210 0.02909 0.01583 0.02622 0.00659 97 5PZ -0.00560 0.01283 -0.01248 0.04002 0.02695 98 6PX 0.02074 0.01215 -0.01261 -0.00540 -0.01524 99 6PY -0.01713 0.02603 -0.00132 0.00763 -0.00563 100 6PZ 0.00006 0.00823 -0.00091 0.01457 0.00908 101 7D 0 -0.14068 -0.11015 0.28207 -0.10547 0.11652 102 7D+1 -0.17246 -0.06398 0.01912 0.12071 0.39600 103 7D-1 0.26647 -0.22531 -0.07077 -0.32776 -0.07873 104 7D+2 0.04278 0.19135 0.00733 0.04147 -0.04603 105 7D-2 -0.15092 0.27103 -0.02670 0.32014 0.01695 106 8D 0 -0.04584 -0.03631 0.09302 -0.03394 0.03856 107 8D+1 -0.05661 -0.01980 0.00730 0.03997 0.12781 108 8D-1 0.08735 -0.07367 -0.02265 -0.10722 -0.02618 109 8D+2 0.01391 0.06231 0.00276 0.01380 -0.01386 110 8D-2 -0.05008 0.08847 -0.00859 0.10531 0.00623 111 6 Cu 1S 0.00154 -0.00057 -0.00274 -0.00005 -0.00045 112 2S -0.03985 0.03251 -0.00600 -0.00122 0.04968 113 3S 0.07082 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133 7 Cu 1S -0.00080 -0.00099 -0.00004 0.00056 0.00045 134 2S -0.01857 0.02468 0.02622 -0.03199 0.02008 135 3S -0.05738 0.02598 0.03906 -0.08580 0.06756 136 4PX 0.00216 -0.00449 -0.00219 0.00909 -0.00573 137 4PY 0.00220 -0.00417 -0.00161 0.00351 0.00050 138 4PZ 0.00018 0.00089 0.00383 -0.00200 0.00293 139 5PX -0.01469 0.01603 -0.00096 -0.05087 0.03449 140 5PY -0.01434 0.02678 0.01371 -0.01509 -0.00333 141 5PZ -0.00245 0.00417 -0.01995 0.01009 -0.01638 142 6PX -0.00677 0.00873 0.00352 -0.01702 0.01183 143 6PY -0.01195 0.02649 -0.00394 -0.00521 -0.01009 144 6PZ -0.00807 0.01144 -0.01170 0.00046 -0.01056 145 7D 0 0.05176 0.09387 -0.05142 -0.09160 0.15766 146 7D+1 -0.03009 -0.09281 0.16902 -0.11010 0.38642 147 7D-1 0.26532 0.21945 -0.05779 -0.17943 -0.05739 148 7D+2 0.00706 -0.10679 0.16260 0.29135 -0.07482 149 7D-2 0.31633 -0.30586 -0.12163 0.33701 0.01511 150 8D 0 0.01752 0.03124 -0.01628 -0.03005 0.05121 151 8D+1 -0.01049 -0.02963 0.05647 -0.03672 0.12524 152 8D-1 0.08603 0.07151 -0.01860 -0.05922 -0.01790 153 8D+2 0.00139 -0.03548 0.05375 0.09510 -0.02349 154 8D-2 0.10293 -0.09956 -0.03936 0.11048 0.00361 155 8 C 1S -0.01792 -0.00110 0.00159 -0.00025 0.00635 156 2S 0.03870 0.00279 -0.00511 0.00052 -0.01455 157 3S 0.09349 0.00068 -0.00426 0.00129 -0.02708 158 4PX -0.00056 -0.00130 -0.00588 0.00425 -0.00222 159 4PY 0.05199 0.00249 -0.00899 -0.00013 -0.01997 160 4PZ -0.01215 -0.00269 -0.00633 -0.00336 0.00190 161 5PX 0.00560 0.00213 -0.00152 0.00569 -0.00372 162 5PY 0.01226 -0.00092 -0.00110 -0.00052 -0.00985 163 5PZ -0.00201 0.00335 -0.00141 -0.00407 -0.00285 164 9 O 1S 0.00265 0.00052 0.00008 0.00003 -0.00083 165 2S -0.00812 -0.00119 0.00026 -0.00010 0.00301 166 3S -0.00992 -0.00316 -0.00219 0.00001 0.00049 167 4PX -0.00599 0.00356 0.01257 -0.01001 0.00640 168 4PY -0.03713 -0.00091 0.00928 0.00135 0.01474 169 4PZ -0.00255 0.00568 0.01584 0.00721 0.00516 170 5PX -0.00511 0.00153 0.00726 -0.00645 0.00442 171 5PY -0.01672 0.00099 0.00355 0.00091 0.00599 172 5PZ -0.00361 0.00217 0.00950 0.00463 0.00466 66 67 68 69 70 O O O O O EIGENVALUES -- -0.25868 -0.25798 -0.25587 -0.25287 -0.25258 1 1 Cu 1S 0.00001 -0.00001 0.00019 0.00000 -0.00027 2 2S 0.00101 0.00006 0.02975 -0.00032 0.01481 3 3S 0.00265 -0.00021 0.02731 -0.00018 0.01524 4 4PX -0.00088 -0.00003 0.00449 0.00645 0.00387 5 4PY 0.00018 0.00007 -0.00592 -0.00093 -0.00344 6 4PZ 0.00087 -0.00002 0.00764 -0.00470 0.00607 7 5PX 0.00093 0.00045 -0.01505 -0.03689 -0.01213 8 5PY -0.00025 -0.00044 0.03265 0.00528 0.01622 9 5PZ -0.00214 -0.00012 -0.02824 0.02630 -0.01972 10 6PX 0.01021 -0.01056 -0.00567 -0.00165 -0.01005 11 6PY -0.00185 0.00161 0.01121 0.00003 0.01078 12 6PZ -0.00724 0.00774 -0.01041 0.00157 -0.01644 13 7D 0 0.04727 -0.03130 -0.22057 0.38266 -0.13681 14 7D+1 -0.01682 0.03884 -0.14052 -0.15633 -0.25624 15 7D-1 0.05089 0.15726 0.02574 0.04211 0.08346 16 7D+2 -0.05988 -0.04798 -0.26533 -0.21444 -0.03676 17 7D-2 -0.06259 -0.22925 0.08589 0.04066 0.04118 18 8D 0 0.01698 -0.00832 -0.07274 0.12710 -0.04506 19 8D+1 -0.00616 0.01198 -0.04617 -0.05179 -0.08373 20 8D-1 0.01683 0.05209 0.00766 0.01487 0.02660 21 8D+2 -0.02051 -0.01696 -0.08785 -0.07158 -0.01285 22 8D-2 -0.02028 -0.07535 0.02783 0.01232 0.01322 23 2 Cu 1S -0.00191 0.00083 -0.00243 0.00198 -0.00114 24 2S -0.00383 -0.00983 0.00896 0.02526 -0.01036 25 3S -0.09864 0.03147 -0.07317 0.09930 -0.04827 26 4PX -0.00228 0.00054 -0.00026 -0.01108 0.00710 27 4PY -0.00361 -0.00840 0.00203 -0.00087 -0.00545 28 4PZ -0.00817 -0.00572 -0.00320 -0.00440 -0.00331 29 5PX 0.01005 -0.00103 0.00345 0.04412 -0.02886 30 5PY 0.03302 0.02259 0.00606 -0.00161 0.02103 31 5PZ 0.02530 0.02719 0.00155 0.02369 0.00701 32 6PX -0.00060 -0.00090 -0.00075 -0.00673 0.00323 33 6PY 0.00990 -0.00293 0.00396 -0.00977 -0.00376 34 6PZ -0.01174 0.00667 -0.00805 0.00101 -0.00715 35 7D 0 -0.24646 -0.17055 -0.02967 -0.18696 0.02555 36 7D+1 0.07390 0.19218 0.02098 -0.13932 -0.06386 37 7D-1 0.12902 -0.03614 0.22371 -0.22966 0.11655 38 7D+2 -0.08882 -0.11183 -0.02332 0.25125 -0.19989 39 7D-2 0.00338 0.21814 -0.00499 -0.01947 -0.16071 40 8D 0 -0.07884 -0.05553 -0.00917 -0.05940 0.00860 41 8D+1 0.02351 0.06271 0.00812 -0.04593 -0.01978 42 8D-1 0.04252 -0.01201 0.07287 -0.07382 0.03738 43 8D+2 -0.02963 -0.03574 -0.00787 0.08037 -0.06368 44 8D-2 0.00181 0.07044 -0.00292 -0.00482 -0.05204 45 3 Cu 1S 0.00187 -0.00080 -0.00247 -0.00193 -0.00117 46 2S 0.00348 0.01039 0.00864 -0.02507 -0.01038 47 3S 0.09674 -0.02952 -0.07539 -0.09768 -0.04912 48 4PX 0.00764 0.00704 -0.00252 0.00078 -0.00636 49 4PY 0.00301 0.00714 0.00231 0.00244 -0.00329 50 4PZ 0.00433 0.00042 -0.00152 0.01162 0.00641 51 5PX -0.02802 -0.02987 0.00161 -0.00789 0.01949 52 5PY -0.03162 -0.01771 0.00705 -0.00396 0.01331 53 5PZ -0.01339 -0.00591 0.00221 -0.04929 -0.02830 54 6PX 0.00863 -0.00591 -0.00624 -0.00079 -0.00836 55 6PY -0.01073 0.00379 0.00520 0.01108 -0.00193 56 6PZ 0.00586 -0.00206 -0.00408 0.00455 0.00110 57 7D 0 -0.04244 -0.03442 -0.01782 -0.18441 -0.16367 58 7D+1 0.07050 -0.13085 -0.00706 0.26743 -0.01681 59 7D-1 -0.03473 -0.14845 0.06822 -0.00621 -0.16147 60 7D+2 0.21011 0.29669 0.03302 0.04458 0.01978 61 7D-2 -0.20563 -0.02533 0.21785 0.24470 0.17811 62 8D 0 -0.01239 -0.01194 -0.00510 -0.05782 -0.05181 63 8D+1 0.02226 -0.04245 -0.00129 0.08596 -0.00488 64 8D-1 -0.01182 -0.04794 0.02087 -0.00312 -0.05218 65 8D+2 0.06757 0.09627 0.01098 0.01406 0.00678 66 8D-2 -0.06696 -0.00803 0.07154 0.07935 0.05722 67 4 Cu 1S 0.00001 -0.00001 0.00247 -0.00004 0.00034 68 2S -0.00011 -0.00002 0.01467 0.00000 -0.00087 69 3S 0.00024 -0.00019 0.13920 -0.00095 0.01010 70 4PX -0.01312 0.00868 0.00707 0.00003 -0.00038 71 4PY 0.00174 -0.00133 -0.00768 0.00003 -0.00139 72 4PZ 0.00885 -0.00611 0.01141 -0.00014 -0.00032 73 5PX 0.05093 -0.02967 -0.02304 -0.01096 0.00651 74 5PY -0.00686 0.00439 0.01518 0.00173 0.00785 75 5PZ -0.03481 0.02070 -0.03438 0.00764 0.00788 76 6PX -0.02350 0.01317 -0.00476 -0.03363 0.01213 77 6PY 0.00247 -0.00218 0.01834 0.00445 0.02439 78 6PZ 0.01551 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0.12708 3 3S 0.00022 0.10003 -0.00117 -0.13393 0.07691 4 4PX 0.00875 0.00836 0.01596 0.00814 -0.02188 5 4PY -0.00134 0.00403 -0.00248 -0.01503 -0.00288 6 4PZ -0.00613 0.01086 -0.01131 0.01470 -0.03117 7 5PX -0.03723 0.00197 -0.04812 -0.03897 0.09189 8 5PY 0.00572 0.01665 0.00723 0.04370 0.05871 9 5PZ 0.02601 -0.00010 0.03371 -0.06419 0.12182 10 6PX -0.01394 0.02227 -0.00952 0.00783 0.08009 11 6PY 0.00202 -0.01848 0.00137 -0.04109 -0.07605 12 6PZ 0.00989 0.03593 0.00652 0.01974 0.13016 13 7D 0 0.22291 -0.01431 0.08050 -0.04132 0.02012 14 7D+1 -0.08446 -0.00497 -0.02465 -0.04990 0.03182 15 7D-1 0.08236 0.03703 0.06958 0.02769 0.01470 16 7D+2 -0.15321 -0.00985 -0.07234 -0.02677 0.01421 17 7D-2 -0.05568 0.02822 -0.07629 0.02290 0.01077 18 8D 0 0.07351 -0.00298 0.02779 -0.01354 0.00866 19 8D+1 -0.02782 0.00245 -0.00872 -0.01706 0.01200 20 8D-1 0.02733 0.01629 0.02275 0.00793 0.00507 21 8D+2 -0.05059 -0.00196 -0.02443 -0.00858 0.00719 22 8D-2 -0.01859 0.01226 -0.02460 0.00657 0.00310 23 2 Cu 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8D+2 -0.03949 -0.01429 -0.04538 -0.02820 0.00307 44 8D-2 -0.06777 0.02612 -0.01509 0.00270 0.00046 45 3 Cu 1S -0.00015 -0.00040 -0.00053 0.00525 0.00002 46 2S 0.00119 0.10546 0.18886 0.14915 -0.09117 47 3S -0.00687 -0.03278 -0.03004 0.11611 0.05368 48 4PX 0.00300 -0.03813 0.02287 0.01292 0.02201 49 4PY 0.00292 -0.02841 0.01956 -0.01949 -0.00009 50 4PZ -0.00200 -0.01691 -0.01310 0.04931 -0.01946 51 5PX -0.02190 0.08832 -0.07374 -0.03638 -0.05934 52 5PY -0.01800 0.08670 -0.03228 0.05313 -0.02008 53 5PZ 0.00666 0.04360 0.03414 -0.14932 0.06182 54 6PX -0.01855 0.01766 -0.02771 0.01237 0.05905 55 6PY -0.01161 0.03858 0.01213 0.04513 0.06247 56 6PZ -0.00325 0.02477 0.02629 0.01108 0.05521 57 7D 0 0.10246 0.02336 0.03436 -0.08638 -0.00183 58 7D+1 0.25227 -0.07560 -0.06375 0.04000 -0.04102 59 7D-1 0.20764 0.05284 0.06886 -0.04377 -0.00604 60 7D+2 0.06708 -0.19258 0.09871 -0.01720 -0.01678 61 7D-2 -0.06962 0.00379 -0.09704 -0.03022 -0.04036 62 8D 0 0.03241 0.00698 0.00935 -0.02834 0.00005 63 8D+1 0.07998 -0.02518 -0.02232 0.01248 -0.01190 64 8D-1 0.06606 0.01981 0.02494 -0.01364 -0.00176 65 8D+2 0.02254 -0.06545 0.03359 -0.00639 -0.00519 66 8D-2 -0.02248 0.00118 -0.03356 -0.01264 -0.01115 67 4 Cu 1S 0.00000 -0.00054 0.00002 -0.00510 -0.00687 68 2S 0.00000 0.00259 -0.00019 -0.20378 -0.16310 69 3S 0.00002 -0.00041 0.00008 -0.00269 0.14117 70 4PX 0.00133 -0.02357 0.04498 -0.01225 -0.01996 71 4PY -0.00024 -0.04170 -0.00644 0.00563 -0.02661 72 4PZ -0.00096 -0.02523 -0.03125 -0.01807 -0.01968 73 5PX -0.00313 0.06680 -0.12690 0.06521 0.08233 74 5PY 0.00056 0.12599 0.01809 -0.04137 0.12291 75 5PZ 0.00227 0.06997 0.08836 0.09895 0.07698 76 6PX 0.00670 -0.03044 0.04867 -0.03245 -0.06047 77 6PY -0.00125 -0.05671 -0.00737 -0.07658 -0.13540 78 6PZ -0.00495 -0.03270 -0.03427 -0.02988 -0.06101 79 7D 0 0.01005 0.04710 0.09101 -0.05493 -0.06877 80 7D+1 -0.00370 -0.01221 -0.03606 -0.09391 -0.04366 81 7D-1 0.00460 0.00459 0.01973 0.12138 -0.07983 82 7D+2 -0.00703 0.08607 -0.05745 0.00860 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-0.03908 -0.04766 103 7D-1 -0.05391 -0.08354 -0.00105 0.03565 0.00460 104 7D+2 0.35085 0.09363 -0.07452 0.01779 -0.02311 105 7D-2 -0.10802 -0.02830 0.01179 0.05200 -0.02278 106 8D 0 -0.01061 -0.00620 0.00206 0.01931 0.01041 107 8D+1 0.00252 -0.01253 0.02388 -0.01214 -0.01494 108 8D-1 -0.01833 -0.02922 -0.00327 0.01093 0.00267 109 8D+2 0.11569 0.03276 -0.02406 0.00678 -0.00617 110 8D-2 -0.03552 -0.00748 0.00800 0.01831 -0.00807 111 6 Cu 1S 0.00000 0.00118 -0.00002 0.00657 0.00646 112 2S 0.00004 -0.20913 0.00202 0.20900 0.06908 113 3S 0.00040 0.04219 0.00016 0.15425 0.22812 114 4PX -0.00290 -0.00005 0.04481 0.01060 0.02355 115 4PY 0.00031 -0.01903 -0.00672 -0.04773 0.02412 116 4PZ 0.00206 0.00317 -0.03159 0.02508 0.02672 117 5PX 0.02584 0.01701 -0.11603 -0.03225 -0.07172 118 5PY -0.00335 0.05167 0.01732 0.14310 -0.09511 119 5PZ -0.01825 0.01518 0.08158 -0.07605 -0.07702 120 6PX 0.01551 0.02109 -0.03314 -0.02482 -0.03974 121 6PY -0.00233 0.03786 0.00489 0.02153 0.02128 122 6PZ -0.01077 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0.11785 0.14743 8 5PY 0.00877 0.21004 -0.03017 0.04473 -0.10097 9 5PZ 0.03002 0.03268 -0.13959 0.12794 0.21718 10 6PX 0.02000 0.02317 0.07244 0.03200 0.15651 11 6PY 0.00525 0.19111 -0.01529 0.08661 -0.08741 12 6PZ -0.02293 -0.00882 -0.05508 0.01321 0.22126 13 7D 0 0.03047 -0.03124 -0.06571 0.00056 0.02245 14 7D+1 -0.01657 0.01531 0.02758 -0.01949 0.03086 15 7D-1 -0.01518 0.04630 -0.01635 -0.00065 -0.00810 16 7D+2 -0.01168 -0.04753 0.03881 0.02694 0.01505 17 7D-2 0.02911 0.04880 0.00646 -0.00878 -0.00618 18 8D 0 0.00800 -0.01086 -0.01933 0.00017 0.00723 19 8D+1 -0.00465 0.00454 0.00803 -0.00415 0.00756 20 8D-1 -0.00502 0.01519 -0.00444 -0.00008 -0.00257 21 8D+2 -0.00284 -0.01633 0.01132 0.00686 0.00674 22 8D-2 0.00916 0.01618 0.00135 -0.00208 -0.00282 23 2 Cu 1S -0.00645 0.00586 0.00862 -0.00611 -0.00076 24 2S -0.16105 0.00353 0.22148 -0.12854 -0.04445 25 3S -0.14161 0.26133 0.07837 -0.10230 -0.06128 26 4PX 0.01012 -0.01581 -0.03372 0.02232 -0.02153 27 4PY 0.00645 -0.04774 -0.01647 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0.00011 -0.00319 -0.00021 0.00211 0.00300 68 2S 0.00286 -0.18888 -0.00537 0.05585 0.04255 69 3S -0.00332 0.06212 0.00622 -0.06477 0.01669 70 4PX -0.04162 -0.00002 -0.02190 0.00252 -0.01681 71 4PY 0.00797 0.06384 0.00327 0.00261 0.00078 72 4PZ 0.03112 -0.01571 0.01511 0.00679 -0.02278 73 5PX 0.19727 -0.01677 0.08209 0.00245 0.05543 74 5PY -0.03738 -0.26102 -0.01367 0.00638 0.04087 75 5PZ -0.14665 0.04175 -0.05844 -0.01241 0.06453 76 6PX -0.00981 0.05514 -0.03840 0.03915 -0.11297 77 6PY 0.01471 0.09413 0.00284 0.08536 -0.08931 78 6PZ 0.01795 0.06444 0.02544 0.04550 -0.11292 79 7D 0 0.10996 0.06408 0.06368 0.00451 0.01662 80 7D+1 -0.05530 0.03418 -0.01701 -0.07488 0.03124 81 7D-1 -0.07478 0.02960 0.03238 -0.02214 0.01611 82 7D+2 -0.01674 0.09573 -0.04861 0.03695 0.01205 83 7D-2 0.13361 -0.00802 -0.02345 -0.03990 0.00787 84 8D 0 0.02646 0.01339 0.01405 0.00047 0.00081 85 8D+1 -0.01279 0.00412 -0.00357 -0.01615 0.00622 86 8D-1 -0.01395 0.01212 0.00826 -0.00521 0.00438 87 8D+2 -0.00602 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7D+1 0.02838 -0.02036 0.01241 0.02091 -0.02567 147 7D-1 -0.00039 -0.00747 0.01931 -0.00263 0.01639 148 7D+2 0.05253 0.02192 -0.00959 -0.04242 0.01178 149 7D-2 -0.00420 0.05798 0.00847 0.00680 0.00504 150 8D 0 -0.00300 -0.00415 -0.00962 -0.01701 0.00135 151 8D+1 0.00878 -0.00650 0.00301 0.00579 -0.00719 152 8D-1 0.00220 -0.00290 0.00439 0.00000 0.00405 153 8D+2 0.01836 0.00477 -0.00058 -0.01232 0.00665 154 8D-2 -0.00056 0.01768 0.00333 0.00069 0.00000 155 8 C 1S 0.00013 -0.01216 -0.00023 0.00231 0.00335 156 2S -0.00041 0.03405 0.00044 -0.00537 -0.00683 157 3S 0.00019 0.00047 0.00139 -0.00743 -0.02224 158 4PX 0.38810 -0.19866 0.17448 -0.02703 -0.18448 159 4PY -0.07519 -0.10543 -0.02709 -0.03550 -0.11938 160 4PZ -0.28928 -0.24885 -0.11634 -0.06032 -0.21178 161 5PX 0.21454 -0.10916 0.09638 -0.01761 -0.12604 162 5PY -0.04168 -0.09151 -0.01569 -0.01398 -0.04608 163 5PZ -0.16047 -0.12862 -0.06371 -0.03871 -0.15365 164 9 O 1S -0.00009 0.00515 0.00025 -0.00212 -0.00839 165 2S 0.00030 -0.01651 -0.00067 0.00561 0.02225 166 3S 0.00030 -0.01887 -0.00158 0.01288 0.05626 167 4PX -0.29193 0.14414 -0.11407 0.01715 0.09242 168 4PY 0.05632 0.07189 0.01777 0.02578 0.07257 169 4PZ 0.21706 0.18156 0.07676 0.03895 0.10294 170 5PX -0.20972 0.10642 -0.08857 0.01298 0.08558 171 5PY 0.04031 0.06428 0.01402 0.01576 0.05420 172 5PZ 0.15630 0.13130 0.05931 0.03039 0.09856 81 82 83 84 85 V V V V V EIGENVALUES -- -0.02591 -0.00715 -0.00308 0.00177 0.01656 1 1 Cu 1S 0.00039 0.00373 0.00008 -0.00208 -0.00576 2 2S 0.00130 -0.08093 0.00161 0.00759 -0.11600 3 3S 0.00979 -0.18594 0.00356 -0.06920 -0.10080 4 4PX 0.03644 -0.02770 0.00321 0.01541 0.00608 5 4PY -0.00499 -0.05629 -0.00023 -0.01327 0.02985 6 4PZ -0.02938 -0.02715 -0.00212 0.02461 0.00177 7 5PX -0.14347 0.13334 0.01204 -0.09074 -0.06412 8 5PY 0.01988 0.25683 -0.00261 0.08413 -0.18677 9 5PZ 0.11694 0.13375 -0.00858 -0.14690 -0.04930 10 6PX -0.20493 0.27439 0.08751 -0.23583 0.02300 11 6PY 0.03299 0.48390 -0.01353 0.08633 -0.30019 12 6PZ 0.15971 0.28360 -0.06421 -0.35286 0.10194 13 7D 0 0.00983 -0.00460 0.00322 0.01964 0.00942 14 7D+1 -0.00182 -0.00293 0.00294 0.05167 0.02781 15 7D-1 0.00550 -0.01108 0.02988 -0.00623 0.01587 16 7D+2 -0.00714 -0.00925 -0.01515 -0.00446 0.00160 17 7D-2 -0.00684 -0.00585 -0.04142 0.00242 0.01371 18 8D 0 0.00504 -0.00278 0.00395 0.00557 0.00278 19 8D+1 -0.00149 -0.00247 -0.00071 0.01280 0.00509 20 8D-1 0.00207 -0.00363 0.00690 0.00116 0.00273 21 8D+2 -0.00330 -0.00409 -0.00515 0.00083 0.00187 22 8D-2 -0.00213 -0.00169 -0.00872 0.00193 0.00190 23 2 Cu 1S 0.00173 0.00172 0.00383 0.00346 0.00152 24 2S 0.05771 -0.00306 -0.03401 0.00549 -0.03690 25 3S 0.08941 -0.04570 -0.22330 -0.37666 0.12457 26 4PX 0.02549 0.00185 -0.00366 -0.05590 -0.03397 27 4PY 0.01540 0.01542 -0.04213 0.00326 -0.00863 28 4PZ 0.03930 0.03320 0.01879 -0.00365 0.00613 29 5PX -0.10998 0.04084 0.08784 0.22573 0.13036 30 5PY -0.02688 0.02024 0.16227 0.02945 0.10497 31 5PZ -0.15334 -0.07158 -0.15175 -0.02439 -0.06202 32 6PX -0.08226 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7D 0 -0.01464 0.01328 0.01292 -0.00744 -0.01791 58 7D+1 -0.05512 -0.01687 0.02294 -0.00142 0.00423 59 7D-1 -0.04510 0.03331 -0.02562 -0.00888 -0.00470 60 7D+2 0.02650 0.01679 0.00226 0.00701 -0.02187 61 7D-2 -0.00122 0.02493 0.03625 -0.02776 -0.04135 62 8D 0 -0.00347 0.00699 -0.00023 -0.00047 -0.00268 63 8D+1 -0.01302 -0.00448 0.00678 0.00068 0.00058 64 8D-1 -0.01059 0.00691 -0.00539 -0.00096 -0.00212 65 8D+2 0.00878 0.00510 0.00127 0.00112 -0.00439 66 8D-2 -0.00110 0.00862 0.01185 -0.00512 -0.00828 67 4 Cu 1S 0.00001 0.00411 0.00029 -0.00022 0.00000 68 2S 0.00027 0.17930 0.09585 0.01017 -0.00017 69 3S 0.00198 2.07408 2.18152 0.09047 0.00011 70 4PX 0.00003 0.00000 0.00975 0.00357 0.00107 71 4PY 0.00000 -0.01226 -0.01518 -0.00425 0.00005 72 4PZ -0.00004 0.00306 0.01710 0.00596 -0.00120 73 5PX 0.00504 -0.02261 -0.03473 -0.00423 -0.03005 74 5PY -0.00104 0.16076 -0.00638 0.05080 0.00364 75 5PZ -0.00398 -0.07182 -0.04492 -0.01454 0.02220 76 6PX 0.02307 -0.24886 -0.04401 0.13700 -0.27248 77 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22 8D-2 0.00551 0.00553 0.00065 0.00114 0.00187 23 2 Cu 1S -0.00087 0.00016 0.00015 0.00114 -0.00021 24 2S 0.16402 -0.09617 0.00123 -0.00671 0.02107 25 3S 2.32710 -1.37447 0.14699 -0.40247 0.13917 26 4PX -0.01002 0.00777 -0.01439 0.02358 -0.00234 27 4PY 0.00136 -0.00618 0.03254 0.01417 -0.01664 28 4PZ -0.00714 -0.00192 0.02691 0.02024 0.01325 29 5PX -0.05351 0.03011 0.03627 -0.07023 0.02671 30 5PY -0.11370 0.09134 -0.22213 -0.07230 0.09660 31 5PZ 0.12914 -0.05360 -0.18065 -0.14260 -0.02153 32 6PX -0.53352 0.27916 0.92726 -1.34770 0.25733 33 6PY -0.55426 0.54068 -1.15464 -0.37745 0.09129 34 6PZ 0.83494 -0.38937 -0.82176 -0.92463 -0.40490 35 7D 0 -0.00845 -0.00829 -0.00756 -0.01852 0.01291 36 7D+1 -0.03025 -0.01710 -0.01590 -0.01865 -0.02061 37 7D-1 0.00341 -0.00041 0.00313 0.00098 0.02283 38 7D+2 -0.00114 -0.00695 -0.01719 0.01275 -0.03129 39 7D-2 -0.00093 -0.03510 -0.02599 -0.00695 0.01832 40 8D 0 -0.00244 -0.00399 -0.00394 -0.00365 0.00463 41 8D+1 -0.01382 -0.00662 -0.00359 0.00023 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0.01466 62 8D 0 0.00965 0.00096 -0.00211 -0.00301 -0.01106 63 8D+1 0.01131 -0.01004 -0.00480 0.00294 0.00193 64 8D-1 -0.00204 -0.01523 -0.00158 0.00274 0.00205 65 8D+2 -0.00155 0.00211 -0.00237 0.00133 0.00060 66 8D-2 -0.00148 0.00288 0.00154 -0.00115 0.00072 67 4 Cu 1S -0.00002 0.00031 -0.00142 0.00004 0.00309 68 2S -0.00078 0.01356 -0.00532 0.00007 0.01067 69 3S -0.01971 0.31950 0.18647 -0.00494 0.99653 70 4PX -0.00192 -0.00120 0.00965 -0.00531 -0.02391 71 4PY 0.00029 -0.00050 0.00538 0.00088 -0.00074 72 4PZ 0.00152 -0.00149 0.01229 0.00346 -0.03252 73 5PX 0.00699 -0.01214 -0.07787 0.07380 0.23511 74 5PY -0.00375 0.03440 -0.11293 -0.01075 -0.16325 75 5PZ -0.00321 -0.02617 -0.08340 -0.05129 0.36289 76 6PX 0.78207 -0.32904 -0.11108 -0.24790 -0.60945 77 6PY -0.10833 -0.44254 0.37831 0.02586 3.08360 78 6PZ -0.52720 -0.40806 -0.23399 0.18915 -1.60299 79 7D 0 0.01153 -0.00792 -0.00892 -0.01243 -0.00113 80 7D+1 0.00084 -0.04398 0.00318 0.00518 0.00622 81 7D-1 0.03120 -0.01709 -0.00471 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0.00901 0.01506 0.01668 0.02989 102 7D+1 0.00210 0.01528 0.00814 -0.02793 -0.02777 103 7D-1 -0.02304 0.00443 0.01669 0.02271 -0.00270 104 7D+2 0.02568 -0.04419 0.04138 -0.00664 0.00086 105 7D-2 0.00314 0.02127 -0.00121 0.03294 -0.00513 106 8D 0 0.00427 0.00363 0.00150 0.00310 0.00196 107 8D+1 0.00235 0.00626 0.00324 -0.00311 -0.00683 108 8D-1 -0.00946 0.00015 0.00122 0.00223 0.00361 109 8D+2 0.01067 -0.01454 0.00934 -0.00141 -0.00096 110 8D-2 0.00496 0.00977 0.00095 0.00868 -0.00178 111 6 Cu 1S 0.00005 -0.00134 0.00144 -0.00001 -0.00037 112 2S -0.00464 0.19356 -0.00979 0.00005 0.05838 113 3S -0.06806 2.82185 -0.48176 0.00006 0.78166 114 4PX 0.00298 -0.00038 -0.00794 -0.04017 0.02025 115 4PY -0.00080 0.01407 -0.02399 0.00594 -0.01095 116 4PZ -0.00207 -0.00355 -0.00637 0.02829 0.03137 117 5PX -0.01372 0.12025 0.00069 0.24893 -0.07274 118 5PY 0.00203 -0.00606 0.06826 -0.03781 0.07413 119 5PZ 0.00406 0.17235 -0.01237 -0.17541 -0.12295 120 6PX -0.03903 0.75129 0.10876 1.37869 -0.03921 121 6PY 0.00828 -0.01369 1.83973 -0.18813 -0.33269 122 6PZ -0.00524 1.05922 -0.22458 -0.96746 0.02407 123 7D 0 -0.00388 0.00463 -0.01187 -0.00826 0.02067 124 7D+1 0.00526 0.00272 -0.00066 0.00691 -0.00269 125 7D-1 0.02319 0.01890 0.01912 0.01984 -0.00106 126 7D+2 -0.00868 0.01153 -0.01330 -0.00447 0.03577 127 7D-2 -0.03377 0.00901 0.01834 -0.02973 -0.01231 128 8D 0 -0.00046 0.00209 -0.00316 -0.00269 0.00597 129 8D+1 0.00190 -0.00131 -0.00164 0.00161 0.00250 130 8D-1 0.01057 0.01059 -0.00101 0.00256 0.00067 131 8D+2 -0.00466 0.00737 -0.00443 0.00026 0.00849 132 8D-2 -0.01517 0.00453 0.00061 -0.00442 -0.00193 133 7 Cu 1S 0.00010 -0.00021 -0.00059 -0.00036 -0.00287 134 2S 0.11760 -0.06171 -0.03744 0.05780 -0.02316 135 3S 1.54779 -0.83065 -0.85421 1.26258 -0.46813 136 4PX -0.00125 -0.00048 -0.01860 0.02388 0.00749 137 4PY 0.01462 0.01100 -0.02110 0.00791 0.01408 138 4PZ -0.00177 0.01863 -0.00391 -0.02337 -0.01672 139 5PX 0.08255 -0.04955 0.04106 -0.06738 -0.08067 140 5PY 0.02264 -0.03076 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-0.01194 0.00561 7 5PX 0.03101 0.12925 -0.18471 -0.10050 0.03540 8 5PY -0.25860 -0.01813 -0.24674 0.00462 -0.00861 9 5PZ 0.10027 -0.09099 -0.21824 0.05628 -0.02639 10 6PX -0.88811 -1.16154 0.62375 -0.30344 2.41075 11 6PY 2.42262 0.17825 0.34181 0.07127 -0.31576 12 6PZ -1.78968 0.80154 0.80723 0.25186 -1.66687 13 7D 0 0.03395 -0.00248 -0.00090 0.00104 0.00312 14 7D+1 0.01588 -0.00296 -0.00736 -0.00212 -0.00054 15 7D-1 0.00899 -0.02817 -0.01683 -0.00979 0.00846 16 7D+2 0.04826 0.01396 -0.00141 0.00352 -0.00502 17 7D-2 -0.00682 0.03887 -0.01306 0.01252 -0.01186 18 8D 0 0.00501 0.00103 -0.00098 0.00602 -0.00127 19 8D+1 0.00065 -0.00096 -0.00614 -0.00308 0.00052 20 8D-1 -0.00255 -0.00397 -0.00626 -0.00167 -0.00020 21 8D+2 0.00716 0.00118 0.00123 -0.00247 0.00070 22 8D-2 -0.00398 0.00583 -0.00565 0.00331 -0.00017 23 2 Cu 1S -0.00086 0.00017 0.00073 0.00204 0.00018 24 2S -0.02324 -0.05731 -0.00470 0.00008 0.03440 25 3S -0.33895 -1.08995 -0.21801 -0.34626 0.97906 26 4PX -0.00853 -0.00665 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8D-2 0.00298 -0.00424 0.00307 0.00182 0.00103 67 4 Cu 1S 0.00255 0.00011 -0.00083 -0.00007 0.00003 68 2S 0.02378 0.00123 0.00706 0.00064 0.00066 69 3S -0.49941 -0.01189 -0.23183 -0.01294 0.00416 70 4PX -0.02671 -0.05095 -0.01988 -0.04460 -0.01856 71 4PY -0.03492 0.00828 -0.03810 0.00516 0.00247 72 4PZ -0.03084 0.03568 -0.02370 0.02986 0.01254 73 5PX 0.12232 0.30070 0.11645 0.33688 0.10162 74 5PY 0.29225 -0.04602 0.34490 -0.03466 -0.01426 75 5PZ 0.11213 -0.21402 0.11799 -0.23143 -0.06824 76 6PX 2.61891 3.52045 -0.63883 -2.00698 0.63036 77 6PY 2.64335 -0.58106 -2.07232 0.21083 -0.06165 78 6PZ 3.17558 -2.45123 -0.63765 1.38813 -0.43123 79 7D 0 0.01109 -0.01559 0.03558 -0.04963 -0.02059 80 7D+1 0.01281 0.00869 0.00435 0.02210 0.00903 81 7D-1 0.00528 0.01243 0.00464 -0.00133 -0.00149 82 7D+2 0.01083 0.00216 0.05247 0.02952 0.01209 83 7D-2 0.00170 -0.02143 -0.01246 -0.01169 -0.00385 84 8D 0 0.00252 -0.00340 0.00608 -0.00814 -0.00579 85 8D+1 -0.00001 0.00175 -0.00132 0.00358 0.00252 86 8D-1 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5PX -0.01550 -0.05709 -0.12958 -0.20204 0.13494 52 5PY 0.00893 -0.02617 0.04145 0.31207 -0.01082 53 5PZ -0.03489 -0.00579 0.50150 -0.02878 0.08706 54 6PX 1.94031 -6.46556 0.95252 -0.44063 -1.61382 55 6PY 0.84708 -4.91242 -0.12508 -1.77199 -2.87896 56 6PZ 3.30546 -1.50688 -0.53829 -0.04605 0.18175 57 7D 0 -0.02271 0.00543 0.03522 -0.02449 -0.00819 58 7D+1 0.00828 0.01762 -0.02614 -0.01292 -0.00897 59 7D-1 -0.02591 0.01900 0.01785 0.03176 0.00983 60 7D+2 0.03425 -0.02985 0.00940 0.01461 -0.00900 61 7D-2 -0.00705 0.00831 -0.01050 0.03300 0.00871 62 8D 0 -0.00228 0.00069 0.00833 -0.00731 -0.00089 63 8D+1 0.00235 0.00452 -0.00626 -0.00142 -0.00164 64 8D-1 -0.00304 0.00352 0.00419 0.00584 0.00430 65 8D+2 0.00739 -0.00070 0.00103 0.00374 0.00155 66 8D-2 -0.00116 0.00041 -0.00475 0.00820 0.00279 67 4 Cu 1S 0.00016 0.00002 0.00367 0.00854 -0.00056 68 2S -0.00151 0.00025 0.02698 0.16987 -0.01302 69 3S -0.12694 -0.00077 0.30438 1.22187 -0.08751 70 4PX 0.00767 -0.00102 0.00076 -0.00160 0.02036 71 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-0.02146 -0.00758 0.04474 16 7D+2 0.01151 -0.01339 -0.00106 -0.00052 0.06072 17 7D-2 0.00408 0.00400 -0.01503 0.01171 0.00639 18 8D 0 -0.00327 -0.00580 0.00141 -0.00082 0.00044 19 8D+1 0.00308 -0.00231 0.00026 0.00008 -0.00366 20 8D-1 -0.00166 -0.00016 -0.00285 -0.00235 -0.00073 21 8D+2 0.00484 -0.00307 0.00124 0.00153 0.00115 22 8D-2 0.00033 0.00164 -0.00242 0.00300 -0.00172 23 2 Cu 1S -0.00048 0.00157 -0.00253 -0.00494 -0.01182 24 2S -0.00434 0.00436 -0.04069 -0.06912 -0.07994 25 3S -0.00348 -0.21039 -0.77167 -1.34275 -0.88034 26 4PX -0.00039 0.00757 -0.01299 -0.02134 0.04905 27 4PY -0.01865 -0.02170 0.02114 0.04044 -0.03756 28 4PZ -0.01809 -0.03180 -0.02774 -0.04061 0.01686 29 5PX 0.00830 -0.04416 0.13815 0.23518 -0.78292 30 5PY 0.10353 0.18060 -0.14098 -0.31212 0.55293 31 5PZ 0.10412 0.23389 0.23369 0.29293 -0.25261 32 6PX -0.16764 0.16362 0.02198 0.26149 1.43759 33 6PY -0.94010 -3.74077 1.03337 0.51039 -0.06613 34 6PZ -0.70819 -4.74100 -0.32439 -1.46156 0.37044 35 7D 0 -0.01192 -0.01936 0.00970 0.00021 0.01302 36 7D+1 -0.04667 -0.00574 -0.01287 -0.01184 0.02517 37 7D-1 0.00593 -0.02600 -0.02316 -0.05474 -0.02580 38 7D+2 -0.00413 -0.00692 0.00443 -0.00935 0.07574 39 7D-2 -0.03856 -0.02587 0.00848 0.01864 0.06750 40 8D 0 -0.00411 0.00062 0.00344 0.00000 -0.00268 41 8D+1 -0.01423 -0.00306 -0.00203 -0.00259 0.00824 42 8D-1 0.00156 -0.00711 -0.00692 -0.01530 -0.00974 43 8D+2 -0.00190 0.00122 0.00127 -0.00103 0.01988 44 8D-2 -0.01346 -0.00653 0.00249 0.00370 0.02133 45 3 Cu 1S -0.00070 0.00148 -0.00264 0.00493 -0.01128 46 2S 0.00022 0.00646 -0.04223 0.06838 -0.07697 47 3S 0.14326 -0.14439 -0.79890 1.32423 -0.83085 48 4PX 0.03957 -0.01274 -0.01784 0.02246 -0.00796 49 4PY 0.02178 -0.00061 0.02273 -0.04031 -0.02911 50 4PZ 0.00365 0.00187 -0.02542 0.03881 0.04954 51 5PX -0.26611 0.11726 0.14718 -0.13105 0.13389 52 5PY -0.15634 0.04008 -0.14904 0.29379 0.41689 53 5PZ -0.03231 -0.00831 0.23581 -0.35597 -0.79558 54 6PX 4.09083 -3.26273 -0.14270 1.32980 -0.09376 55 6PY 2.60369 -1.58627 1.05995 -0.73635 0.16878 56 6PZ 0.85315 -0.50041 -0.25418 0.33531 1.24706 57 7D 0 0.00839 0.01612 -0.00759 0.01280 0.05113 58 7D+1 0.04852 0.02062 -0.00255 -0.00189 0.03003 59 7D-1 0.04297 -0.00438 0.00026 0.00568 0.07066 60 7D+2 0.00213 -0.02231 0.00239 0.02379 0.01433 61 7D-2 0.00111 -0.01368 -0.02969 0.05295 -0.05582 62 8D 0 0.00302 0.00428 -0.00141 0.00161 0.01543 63 8D+1 0.01374 0.00810 0.00090 -0.00020 0.00691 64 8D-1 0.01298 0.00146 -0.00016 0.00239 0.02102 65 8D+2 -0.00365 -0.00176 0.00064 0.00573 -0.00318 66 8D-2 0.00151 -0.00615 -0.00852 0.01456 -0.01643 67 4 Cu 1S 0.00036 -0.00095 -0.00003 -0.00004 0.01691 68 2S 0.01995 -0.05138 0.00583 -0.00001 0.17931 69 3S -0.00888 0.02092 0.40170 0.03124 1.05734 70 4PX -0.00790 0.01177 0.01337 0.01578 -0.02576 71 4PY -0.00550 0.01562 0.00927 -0.00258 0.00931 72 4PZ -0.00383 0.01609 0.01742 -0.01022 -0.03794 73 5PX 0.06382 -0.06036 -0.03047 0.00709 0.27313 74 5PY 0.06046 -0.17314 -0.03513 -0.00388 0.22211 75 5PZ 0.00129 -0.07966 -0.03556 -0.00557 0.31508 76 6PX -1.50349 3.89609 -0.18192 -0.71739 -0.57986 77 6PY -3.03726 7.77834 -0.19450 0.12086 -0.35789 78 6PZ -1.50207 3.81949 -0.23568 0.50230 -0.71772 79 7D 0 0.00030 -0.00514 0.01265 0.02309 -0.02501 80 7D+1 0.00442 -0.00879 0.07698 -0.00161 0.00854 81 7D-1 -0.00895 0.02817 0.02320 0.04764 -0.03147 82 7D+2 -0.00280 0.00714 -0.02271 -0.03302 -0.06160 83 7D-2 -0.00895 0.01499 0.03340 -0.06066 -0.00145 84 8D 0 0.00021 0.00076 0.00342 0.00438 -0.00382 85 8D+1 0.00024 -0.00091 0.01933 0.00046 0.00185 86 8D-1 -0.00198 0.00713 0.00378 0.01262 -0.00940 87 8D+2 -0.00196 0.00355 -0.00601 -0.00806 -0.01129 88 8D-2 -0.00220 0.00324 0.00702 -0.01691 -0.00276 89 5 Cu 1S 0.00065 0.00033 0.00093 -0.00305 0.00319 90 2S 0.00025 0.01762 -0.00374 -0.00065 0.01346 91 3S -0.14719 0.25804 -0.33842 0.29537 0.85429 92 4PX 0.05415 0.03798 -0.05753 -0.01974 -0.02276 93 4PY 0.03525 0.02726 -0.01702 -0.05160 -0.06116 94 4PZ 0.00607 0.00268 -0.04581 0.06301 0.01096 95 5PX 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0.03060 0.00047 0.01227 115 4PY -0.00107 0.01658 -0.03966 -0.00040 0.07881 116 4PZ 0.02862 -0.00856 0.05202 0.00046 0.00265 117 5PX 0.18733 0.16953 -0.20381 0.01503 -0.21645 118 5PY 0.00617 -0.11374 0.36219 0.00110 -1.05627 119 5PZ -0.20872 0.08041 -0.36725 -0.01572 -0.11389 120 6PX -2.65310 -0.47525 0.99067 0.60434 0.06651 121 6PY 0.33277 0.27231 -0.52358 -0.09217 2.61326 122 6PZ 1.46128 1.35551 1.51822 -0.40256 -0.47137 123 7D 0 0.00536 0.00263 -0.03096 -0.00931 0.01374 124 7D+1 -0.00832 -0.00046 -0.06369 0.00179 0.01885 125 7D-1 -0.03698 -0.00425 0.00322 -0.00681 -0.03954 126 7D+2 0.01080 0.00627 -0.00772 0.00780 -0.00054 127 7D-2 0.04571 0.02474 -0.00229 0.00781 -0.03203 128 8D 0 -0.00076 -0.00100 -0.00765 -0.00169 0.00744 129 8D+1 -0.00121 -0.00039 -0.01849 0.00020 0.00776 130 8D-1 -0.01219 -0.00067 0.00255 -0.00139 -0.01473 131 8D+2 0.00516 0.00205 0.00045 0.00155 0.00265 132 8D-2 0.01374 0.00825 -0.00032 0.00172 -0.01223 133 7 Cu 1S -0.00065 -0.00024 0.00088 0.00306 0.00400 134 2S -0.01189 0.01281 -0.00349 0.00107 0.01792 135 3S -0.07199 0.30084 -0.33106 -0.31787 0.89062 136 4PX 0.00592 0.00025 -0.02662 -0.05532 0.00374 137 4PY -0.05539 -0.00521 -0.02301 0.06275 -0.06411 138 4PZ -0.05669 -0.00811 -0.06671 -0.01248 -0.00524 139 5PX -0.03896 0.02180 0.21361 0.50713 0.09594 140 5PY 0.43808 0.04512 0.20879 -0.55801 0.99376 141 5PZ 0.44117 0.04994 0.59151 0.11971 0.05754 142 6PX -0.63386 1.72217 -0.56827 -1.19843 0.10018 143 6PY 1.06142 -3.08308 0.09461 1.07507 -0.88442 144 6PZ -0.12814 -0.01938 -0.67988 -0.68863 -0.78429 145 7D 0 0.01151 -0.00839 -0.00817 -0.00519 -0.04625 146 7D+1 -0.00403 0.00532 -0.01483 -0.00699 -0.00913 147 7D-1 -0.00106 -0.00444 0.00154 0.00984 -0.02201 148 7D+2 0.00935 -0.00915 0.00022 0.01308 -0.04533 149 7D-2 0.00148 -0.01034 -0.00329 0.01263 0.04887 150 8D 0 0.00649 -0.00105 0.00081 -0.00265 -0.01198 151 8D+1 -0.00230 0.00051 -0.00266 0.00130 -0.00001 152 8D-1 0.00034 -0.00247 -0.00063 0.00161 -0.00400 153 8D+2 0.00598 -0.00420 0.00060 0.00284 -0.00397 154 8D-2 -0.00170 0.00040 -0.00146 0.00259 0.01385 155 8 C 1S 0.00296 -0.00768 0.00112 0.00016 0.04027 156 2S -0.00155 0.00414 -0.00762 -0.00077 -0.08009 157 3S -0.07666 0.19795 0.02220 0.00005 -0.61167 158 4PX 0.01563 -0.04851 0.04299 0.10772 -0.02986 159 4PY -0.00033 0.00226 0.02612 -0.01737 -0.05437 160 4PZ 0.02839 -0.06707 0.05709 -0.07252 -0.02755 161 5PX 0.00813 -0.04799 0.03765 0.03817 -0.02357 162 5PY 0.06763 -0.16867 -0.09104 -0.01374 0.19223 163 5PZ 0.01575 -0.02166 0.07528 -0.01820 -0.08224 164 9 O 1S 0.00514 -0.01315 0.00155 0.00006 -0.01774 165 2S -0.01758 0.04508 0.00205 0.00016 0.03178 166 3S -0.00613 0.01524 -0.05607 -0.00348 0.25417 167 4PX 0.00898 -0.02122 -0.01493 -0.05847 0.01909 168 4PY 0.02339 -0.06045 -0.02883 0.00811 0.09483 169 4PZ 0.00751 -0.02069 -0.01532 0.04052 0.00315 170 5PX 0.00042 0.01057 -0.01458 -0.04588 -0.00014 171 5PY 0.01974 -0.05252 -0.02034 0.00644 0.09793 172 5PZ -0.01227 0.02380 -0.01565 0.03019 -0.02489 111 112 113 114 115 V V V V V EIGENVALUES -- 0.19106 0.19731 0.21666 0.23456 0.24325 1 1 Cu 1S -0.00044 -0.00207 0.00896 -0.00009 -0.00018 2 2S -0.00219 -0.00161 0.06161 -0.00045 -0.00081 3 3S -0.01438 1.32807 -0.94973 0.04081 0.01845 4 4PX 0.06247 0.03540 0.00245 -0.02646 -0.02118 5 4PY -0.01043 -0.04477 0.03178 0.00346 0.00329 6 4PZ -0.04404 0.05831 -0.00271 0.01974 0.01490 7 5PX -0.91809 -0.67365 0.03603 0.57447 0.71012 8 5PY 0.15118 0.51824 -0.50542 -0.07779 -0.11166 9 5PZ 0.64757 -1.04554 0.14825 -0.43264 -0.50448 10 6PX 1.62841 0.41279 0.07064 -0.34211 -1.54578 11 6PY -0.26013 -1.05659 0.93056 0.02932 0.23288 12 6PZ -1.14425 0.75953 -0.08177 0.24552 1.08286 13 7D 0 -0.07141 0.05601 -0.04564 0.03064 0.09358 14 7D+1 0.02495 0.05273 -0.00425 -0.00531 -0.04148 15 7D-1 -0.02627 0.03444 0.01935 0.04512 -0.00542 16 7D+2 0.05114 0.07041 -0.06801 -0.03214 -0.04678 17 7D-2 0.01986 0.00942 0.03330 -0.05470 0.03219 18 8D 0 -0.01581 0.01146 -0.00711 0.01579 0.02803 19 8D+1 0.00571 0.01401 -0.00231 -0.00611 -0.01065 20 8D-1 -0.00642 0.00916 0.01362 0.00230 0.00987 21 8D+2 0.01101 0.01294 -0.00624 -0.00886 -0.01878 22 8D-2 0.00454 0.00416 0.01115 0.00066 -0.00611 23 2 Cu 1S 0.00570 -0.00673 0.01142 0.00281 -0.00241 24 2S 0.02939 -0.07637 0.02739 -0.00951 -0.00215 25 3S 0.24625 -1.68772 -0.22123 -1.55585 0.63853 26 4PX -0.08135 -0.02157 0.00312 -0.03290 0.00973 27 4PY 0.00811 0.00651 -0.01823 0.03842 0.06355 28 4PZ -0.03246 0.03253 -0.02256 0.02467 0.06182 29 5PX 1.12129 0.17680 -0.07296 0.74677 -0.22481 30 5PY -0.07413 -0.02790 0.10781 -0.64048 -1.35525 31 5PZ 0.43253 -0.56193 0.45517 -0.40336 -1.26756 32 6PX -2.49723 -0.62223 -0.11328 -0.81045 0.28786 33 6PY 0.40716 0.93065 -0.43338 1.69434 2.57040 34 6PZ -0.53592 -0.11922 -0.89139 0.30068 2.89007 35 7D 0 0.05196 -0.03755 0.01696 0.01093 -0.06620 36 7D+1 0.06529 -0.03634 -0.00601 0.02092 0.03223 37 7D-1 0.01117 -0.04480 -0.03869 -0.06674 0.00742 38 7D+2 -0.02966 0.01171 -0.00461 -0.05116 -0.02778 39 7D-2 0.00950 -0.03054 0.02845 -0.00780 0.03812 40 8D 0 0.01417 -0.01093 0.00939 -0.00037 -0.02656 41 8D+1 0.01857 -0.01269 -0.00379 0.00879 0.01133 42 8D-1 0.00289 -0.01783 -0.01774 -0.01628 0.00170 43 8D+2 -0.01177 0.00309 0.00031 -0.01637 -0.01202 44 8D-2 0.00417 -0.00711 0.00862 0.00147 0.01420 45 3 Cu 1S -0.00640 -0.00671 0.01142 -0.00351 0.00270 46 2S -0.03383 -0.07622 0.02786 0.00500 0.00341 47 3S -0.27764 -1.68519 -0.21328 1.49580 -0.65504 48 4PX 0.00130 0.03889 -0.02623 -0.03913 -0.06678 49 4PY 0.00182 -0.00151 -0.01451 -0.02736 -0.05462 50 4PZ 0.09236 -0.00803 -0.00227 0.02770 -0.02192 51 5PX -0.00856 -0.59042 0.46748 0.70365 1.36780 52 5PY -0.06358 0.07138 0.03948 0.41927 1.17596 53 5PZ -1.26996 -0.04588 0.06903 -0.65651 0.46621 54 6PX -0.39771 0.28504 -0.90852 -0.85969 -3.10147 55 6PY 0.02850 0.82402 -0.36435 -1.41492 -2.13716 56 6PZ 2.67555 -0.70802 -0.31205 0.88761 -0.92929 57 7D 0 0.00838 0.01022 -0.01453 0.02269 -0.01015 58 7D+1 -0.08445 -0.05692 0.01460 -0.03943 -0.00295 59 7D-1 0.01210 -0.03381 0.00931 0.04942 -0.03109 60 7D+2 -0.00565 -0.01901 -0.00769 0.04163 0.07765 61 7D-2 -0.02188 -0.03477 -0.04419 0.04072 -0.02577 62 8D 0 0.00504 0.00147 -0.00524 0.00608 -0.00285 63 8D+1 -0.02509 -0.01736 0.00520 -0.01260 -0.00023 64 8D-1 0.00349 -0.01004 0.00111 0.01030 -0.01102 65 8D+2 0.00031 -0.00723 0.00032 0.01569 0.03117 66 8D-2 -0.00652 -0.01508 -0.02018 0.00841 -0.00936 67 4 Cu 1S 0.00041 0.01189 -0.04678 0.00075 -0.00016 68 2S 0.00435 0.18382 -0.26481 0.00549 -0.00102 69 3S 0.02412 3.04766 5.11511 -0.01506 0.00344 70 4PX -0.00178 -0.02559 0.03801 0.10758 -0.01556 71 4PY 0.00013 0.00780 0.02777 -0.01735 0.00240 72 4PZ -0.00023 -0.03633 0.04532 -0.07710 0.01099 73 5PX -0.06952 0.28623 -0.06849 -1.91976 0.31921 74 5PY 0.02228 -0.09585 -2.06046 0.32520 -0.05440 75 5PZ 0.06254 0.40515 0.43061 1.34886 -0.22219 76 6PX -0.40215 -1.21664 -0.07580 2.07153 -0.27388 77 6PY 0.05502 0.09576 3.15326 -0.34409 0.04149 78 6PZ 0.25935 -1.67953 -0.92279 -1.46850 0.18671 79 7D 0 -0.02792 0.00301 0.03258 -0.06212 0.00843 80 7D+1 0.01239 0.02076 0.02003 0.02198 -0.00278 81 7D-1 0.00150 -0.05785 -0.03983 -0.03208 0.00545 82 7D+2 0.01106 -0.02913 0.03201 0.04505 -0.00669 83 7D-2 -0.00992 -0.02975 -0.03600 0.02758 -0.00519 84 8D 0 -0.00376 0.00086 0.00649 -0.01989 0.00298 85 8D+1 0.00186 0.01097 0.02387 0.00713 -0.00090 86 8D-1 0.00127 -0.02903 -0.06419 -0.00673 0.00268 87 8D+2 0.00092 -0.01576 -0.02506 0.01360 -0.00284 88 8D-2 -0.00298 -0.01446 -0.03448 0.00486 -0.00323 89 5 Cu 1S 0.00721 -0.00504 -0.00227 0.00306 0.00178 90 2S 0.03954 -0.01244 0.02254 0.03856 0.00127 91 3S 0.63088 0.50695 -1.38538 1.32345 -0.57587 92 4PX 0.04883 0.04893 -0.00449 -0.00266 0.02076 93 4PY 0.00212 -0.00828 -0.02449 -0.00317 0.01900 94 4PZ 0.00853 0.03118 0.01321 -0.04450 0.01038 95 5PX -0.75994 -0.82534 0.13324 0.08573 -0.65978 96 5PY 0.03523 0.18827 0.39423 -0.07951 -0.61211 97 5PZ -0.12537 -0.35719 -0.51980 1.18964 -0.33316 98 6PX 1.08951 0.96906 0.18380 -0.20855 1.37903 99 6PY 0.33686 0.61331 -0.98126 0.84119 0.79742 100 6PZ 0.34322 0.40134 0.38555 -1.33778 0.35703 101 7D 0 -0.00753 -0.05404 -0.01462 0.10978 -0.00572 102 7D+1 0.00147 -0.02087 0.01291 -0.01270 0.03589 103 7D-1 -0.02941 0.02785 0.02724 0.05834 -0.00379 104 7D+2 0.02748 0.05627 -0.02894 0.01095 0.09442 105 7D-2 -0.07025 -0.01542 -0.01907 0.00546 -0.03350 106 8D 0 -0.00743 -0.00658 -0.02983 0.03868 -0.00552 107 8D+1 -0.00142 -0.00559 0.00704 -0.01445 0.00088 108 8D-1 -0.00097 0.00441 0.00570 0.00642 -0.01054 109 8D+2 0.00775 0.01223 -0.00762 -0.00042 0.03627 110 8D-2 -0.01401 -0.00751 -0.00430 -0.00086 -0.00931 111 6 Cu 1S 0.00019 -0.00939 0.00907 -0.00020 -0.00010 112 2S 0.00042 -0.08317 0.01421 -0.00108 -0.00026 113 3S -0.03635 -1.58266 -0.39210 -0.00993 0.02352 114 4PX 0.03632 0.00398 0.00487 -0.03877 0.07729 115 4PY -0.00152 -0.07128 0.00514 0.00556 -0.01204 116 4PZ -0.02545 0.01972 0.00715 0.02748 -0.05451 117 5PX -0.52840 -0.06533 -0.06214 0.55238 -1.55305 118 5PY 0.02281 1.14557 0.00499 -0.07893 0.24252 119 5PZ 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0.04664 0.01891 -0.00061 0.09175 -0.00290 159 4PY -0.01022 -0.04547 -0.09756 -0.01607 0.00003 160 4PZ -0.03542 0.03963 0.02790 -0.06598 0.00164 161 5PX -0.02655 0.07590 0.59724 0.33624 -0.06068 162 5PY 0.00910 -0.22384 -1.53368 -0.03645 0.00605 163 5PZ 0.01585 0.16129 1.20898 -0.25450 0.04620 164 9 O 1S -0.00042 -0.01078 0.06080 -0.00108 0.00021 165 2S 0.00080 0.03316 -0.08551 0.00169 -0.00026 166 3S 0.00578 0.05821 -1.01253 0.01722 -0.00348 167 4PX -0.01953 0.01433 0.01855 -0.07305 0.01011 168 4PY 0.00603 0.05739 -0.11603 0.01370 -0.00182 169 4PZ 0.01496 0.00451 0.05540 0.05013 -0.00680 170 5PX -0.00049 -0.01993 -0.06382 -0.07710 0.01328 171 5PY 0.00236 0.09992 -0.12850 0.01711 -0.00284 172 5PZ 0.00015 -0.05345 -0.05642 0.05491 -0.00909 116 117 118 119 120 V V V V V EIGENVALUES -- 0.24917 0.26816 0.27435 0.27842 0.30483 1 1 Cu 1S -0.00254 0.00764 -0.00034 0.00224 -0.00804 2 2S 0.02695 -0.08859 -0.00595 0.13444 -0.12638 3 3S 2.51141 -4.21094 -0.22654 6.71980 -3.29391 4 4PX 0.00480 -0.03354 0.02564 0.05444 -0.02650 5 4PY 0.03877 -0.06829 -0.00614 0.04660 -0.03849 6 4PZ -0.00123 -0.03312 -0.02176 0.06495 -0.02861 7 5PX -0.10371 0.71945 -0.60680 -1.52921 0.88982 8 5PY -1.14252 1.45991 0.14311 -1.18886 0.75728 9 5PZ 0.09165 0.70916 0.53051 -1.86213 1.00833 10 6PX -0.42696 0.52076 -0.24348 -0.24104 0.43701 11 6PY 0.75678 0.03604 0.07611 -1.08025 0.04032 12 6PZ -0.77960 0.72188 0.18483 -0.08703 0.57824 13 7D 0 -0.05102 0.02705 -0.01248 0.02065 -0.00060 14 7D+1 -0.01718 -0.01820 -0.00368 0.05229 0.01022 15 7D-1 0.02457 -0.05521 -0.04947 0.05775 0.02794 16 7D+2 -0.06517 0.04023 0.02638 0.02009 -0.00932 17 7D-2 0.03544 -0.05441 0.06150 0.04515 0.02404 18 8D 0 -0.01883 -0.00060 -0.01250 0.01294 -0.01121 19 8D+1 0.00342 -0.00272 0.00355 0.03189 -0.01944 20 8D-1 -0.00164 -0.01532 -0.00353 0.01725 -0.01922 21 8D+2 -0.03431 -0.00400 0.00688 0.00623 -0.01510 22 8D-2 0.00992 -0.01015 0.00039 0.01394 -0.01281 23 2 Cu 1S -0.01084 -0.00302 -0.00591 0.00734 -0.00603 24 2S -0.08017 0.00796 0.06438 -0.02685 -0.05409 25 3S -2.17469 1.59103 5.47101 -3.39983 -1.46427 26 4PX -0.01899 -0.01106 0.00185 -0.00758 -0.03223 27 4PY -0.04976 -0.00370 0.05225 0.00171 -0.03341 28 4PZ -0.01823 0.00303 -0.02819 0.04524 -0.01581 29 5PX 0.39735 0.36972 0.00233 0.19368 1.37260 30 5PY 1.05690 0.06986 -1.47081 -0.35500 1.10655 31 5PZ 0.18856 -0.15049 0.57526 -1.40893 1.23812 32 6PX -0.19309 0.28960 -0.55071 0.19387 0.23107 33 6PY -0.30820 0.18366 -0.21277 0.52985 0.54822 34 6PZ -1.07245 0.07296 0.43451 -0.15676 0.25043 35 7D 0 0.01573 -0.00712 -0.01173 -0.05750 0.11228 36 7D+1 0.00554 0.04162 -0.03687 -0.01447 -0.02856 37 7D-1 -0.02179 0.08848 0.02386 -0.03056 -0.02377 38 7D+2 0.02169 0.00477 -0.06198 -0.01074 -0.03520 39 7D-2 -0.01325 -0.03777 0.00531 -0.04463 -0.05052 40 8D 0 0.00822 0.00539 -0.00851 -0.03462 0.03153 41 8D+1 -0.00336 0.00499 -0.00909 -0.01538 0.00337 42 8D-1 -0.00175 0.03194 0.00570 -0.00538 -0.00639 43 8D+2 0.00505 -0.02067 -0.02411 -0.01096 -0.00920 44 8D-2 -0.01206 -0.00755 -0.00785 -0.01918 -0.02601 45 3 Cu 1S -0.01085 -0.00332 0.00465 0.00758 -0.00281 46 2S -0.07910 0.00629 -0.06588 -0.03316 -0.01721 47 3S -2.09398 1.60198 -5.23386 -3.83116 -0.48824 48 4PX -0.02140 0.00579 0.01289 0.04678 -0.02269 49 4PY -0.04903 -0.00633 -0.05540 -0.01014 -0.02756 50 4PZ -0.01618 -0.00898 0.01466 0.00927 -0.02511 51 5PX 0.27558 -0.24841 -0.13366 -1.46916 1.27818 52 5PY 1.06315 0.15773 1.52814 0.00627 0.99169 53 5PZ 0.27262 0.28853 -0.38601 -0.27946 1.35388 54 6PX -0.99563 0.01234 -0.53586 -0.12977 0.36637 55 6PY -0.19927 0.22721 0.34032 0.62265 0.44422 56 6PZ -0.50709 0.27174 0.31567 0.05974 0.19327 57 7D 0 0.01804 0.02969 0.06363 0.01937 -0.06389 58 7D+1 0.00449 0.01178 0.02121 -0.04664 0.03307 59 7D-1 -0.01330 -0.00152 0.00742 -0.04752 -0.06659 60 7D+2 0.01735 0.02386 0.02641 -0.04049 0.08743 61 7D-2 -0.02306 0.09698 -0.02894 -0.00414 -0.03527 62 8D 0 0.00189 -0.01495 0.01831 0.00044 -0.00907 63 8D+1 -0.00221 0.00853 0.00972 -0.03123 0.01382 64 8D-1 -0.01011 -0.00278 0.01221 -0.01759 -0.02851 65 8D+2 0.01192 0.00458 0.01321 -0.02214 0.02425 66 8D-2 -0.00220 0.03511 -0.01351 0.00664 -0.00541 67 4 Cu 1S 0.03887 0.05557 0.00118 -0.01208 -0.01353 68 2S 0.26144 0.48103 0.00762 -0.07604 -0.11098 69 3S -1.14255 9.80610 -0.02690 0.78061 -0.45914 70 4PX 0.05086 0.03048 -0.00125 0.00532 -0.04581 71 4PY 0.09463 -0.03886 0.00006 0.01303 0.01260 72 4PZ 0.05174 0.05141 0.00099 0.00545 -0.06074 73 5PX -1.27996 -0.92318 0.51461 -0.36475 1.49328 74 5PY -0.55331 1.03695 -0.05511 -0.73171 -0.19352 75 5PZ -1.71051 -1.51602 -0.34739 -0.40907 1.91611 76 6PX 0.83269 -0.90993 1.54505 -0.95763 -0.30917 77 6PY 0.44637 0.17099 -0.18562 -1.56971 -0.77588 78 6PZ 1.11149 -1.28820 -1.03301 -1.14922 -0.18227 79 7D 0 0.00732 -0.00568 0.03174 -0.00482 -0.05546 80 7D+1 -0.03001 -0.01237 -0.00421 -0.07066 -0.04803 81 7D-1 -0.03456 0.02203 0.04635 -0.02006 -0.00501 82 7D+2 0.02121 0.00592 -0.03811 0.02975 -0.07753 83 7D-2 -0.03337 0.01294 -0.05524 -0.03550 0.02092 84 8D 0 0.00721 -0.00764 0.00716 -0.00141 -0.01281 85 8D+1 -0.01136 -0.02056 0.00073 -0.02137 -0.00892 86 8D-1 0.02605 0.02638 0.02122 -0.01526 -0.01885 87 8D+2 0.02828 0.00992 -0.01273 0.00621 -0.02491 88 8D-2 0.00870 0.01407 -0.02566 -0.01660 -0.00399 89 5 Cu 1S 0.00362 0.01578 -0.00341 0.00822 0.00634 90 2S -0.00109 -0.06528 -0.11645 -0.03127 0.02200 91 3S 0.74441 -5.40510 -5.27545 -3.99676 -0.87944 92 4PX -0.00766 -0.03474 -0.03654 -0.05353 -0.00216 93 4PY -0.02566 0.04056 0.06985 0.02012 -0.00553 94 4PZ 0.01569 0.06684 0.02963 0.00893 0.00780 95 5PX 0.13707 0.89823 0.98946 1.52448 0.47861 96 5PY 0.74614 -0.92969 -1.91348 -0.63959 0.28685 97 5PZ -0.44774 -1.61946 -0.72132 -0.37209 0.11535 98 6PX -0.02030 0.64082 0.09625 0.58736 0.26099 99 6PY 0.00381 -0.46330 -0.32895 0.12283 0.18218 100 6PZ 0.74647 -0.24948 -1.02763 -0.55554 -0.28413 101 7D 0 -0.08614 -0.04976 0.04314 0.05207 0.02488 102 7D+1 0.07509 0.05862 -0.01094 0.06096 -0.01262 103 7D-1 0.02411 -0.06207 -0.05871 0.02002 -0.01663 104 7D+2 -0.02820 0.00296 0.02292 -0.02683 -0.05469 105 7D-2 -0.00307 0.02487 0.04733 0.03865 0.00737 106 8D 0 -0.01267 0.00068 0.01087 0.00239 0.00342 107 8D+1 0.00348 0.01860 0.00572 0.01142 0.00112 108 8D-1 -0.00360 -0.01709 -0.01291 -0.00460 0.01716 109 8D+2 -0.01343 -0.00330 0.01686 -0.01085 -0.01495 110 8D-2 0.00110 0.00829 0.02649 0.02179 0.01188 111 6 Cu 1S -0.02094 -0.01186 -0.00037 0.00155 0.02410 112 2S -0.08612 -0.04067 -0.00504 0.12236 0.28780 113 3S 1.26143 2.13399 -0.22086 7.32687 7.80978 114 4PX 0.00382 0.00820 -0.04130 -0.04324 -0.07097 115 4PY -0.04101 0.01127 0.00564 0.01278 -0.03902 116 4PZ 0.01387 0.00898 0.03209 -0.06112 -0.08788 117 5PX 0.02488 -0.15954 1.29375 1.07520 1.94688 118 5PY 1.11462 -0.40602 -0.17641 -0.41159 1.18667 119 5PZ -0.19615 -0.12661 -0.98304 1.51909 2.27756 120 6PX 0.19334 -0.08687 -0.55733 0.55784 0.65243 121 6PY -0.87605 -0.39863 0.07392 -0.03737 0.14851 122 6PZ 0.45064 -0.04715 0.35640 0.84211 0.83543 123 7D 0 -0.05075 -0.03877 -0.06352 0.01709 0.01762 124 7D+1 -0.04288 -0.08631 0.03174 -0.01254 0.03751 125 7D-1 0.06506 -0.00996 0.03018 0.01496 0.03962 126 7D+2 -0.03491 -0.01003 0.01814 0.04515 0.03601 127 7D-2 0.05348 -0.01355 -0.05715 -0.00747 0.02611 128 8D 0 -0.01013 -0.00099 -0.02761 0.00518 0.00444 129 8D+1 -0.00709 -0.03208 0.01491 -0.00880 0.02144 130 8D-1 0.01541 -0.00380 0.01798 0.00108 0.01579 131 8D+2 -0.00742 0.01814 0.00605 0.01658 0.00277 132 8D-2 0.01287 -0.01177 -0.03183 -0.00710 0.01438 133 7 Cu 1S 0.00391 0.01610 0.00294 0.00815 0.00838 134 2S -0.00007 -0.06468 0.11801 -0.02376 0.03753 135 3S 0.69852 -5.46322 5.51394 -3.58028 -0.79555 136 4PX 0.01184 0.08129 -0.05410 0.02529 0.00384 137 4PY -0.02792 0.02328 -0.05719 0.00365 -0.00834 138 4PZ 0.00140 -0.01510 0.03716 -0.04692 0.00329 139 5PX -0.31634 -1.98572 1.41033 -0.84826 0.09998 140 5PY 0.80098 -0.50321 1.58311 -0.14945 0.35565 141 5PZ -0.12372 0.40996 -1.03423 1.30749 0.37763 142 6PX 0.69268 -0.53476 1.09889 -0.60590 -0.31481 143 6PY 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0.12665 -0.15446 163 5PZ -0.42630 0.01867 0.10436 0.20100 0.20622 164 9 O 1S -0.03917 0.00955 0.00019 0.00115 -0.01103 165 2S 0.04269 -0.03314 -0.00073 -0.00393 0.03261 166 3S 0.71584 -0.04588 -0.00068 0.00518 0.11600 167 4PX -0.03632 -0.00538 0.02620 0.00929 0.00668 168 4PY 0.02783 0.01946 -0.00317 0.00534 0.08096 169 4PZ -0.05851 -0.01027 -0.01831 0.01228 -0.01601 170 5PX -0.04146 0.01017 0.00184 -0.02190 -0.00842 171 5PY 0.06242 -0.00200 -0.00073 -0.01412 0.12618 172 5PZ -0.07997 0.01370 0.00046 -0.02967 -0.04659 121 122 123 124 125 V V V V V EIGENVALUES -- 0.30910 0.34010 0.39552 0.41169 0.54056 1 1 Cu 1S 0.00040 0.00105 -0.00017 0.02475 -0.01162 2 2S 0.00913 0.00575 -0.00164 0.02872 -0.01964 3 3S 0.26543 -0.58525 -0.03450 -2.07050 -0.34511 4 4PX -0.00277 0.00332 -0.00698 -0.00455 -0.00334 5 4PY 0.00348 -0.02067 0.00021 -0.01114 0.00134 6 4PZ 0.00577 0.00882 0.00462 -0.00402 -0.00514 7 5PX 0.56567 0.06392 0.35017 0.16966 -0.01021 8 5PY -0.16504 -0.45852 -0.04958 0.55504 0.10622 9 5PZ -0.52556 0.22745 -0.22913 0.12230 -0.03682 10 6PX 0.09298 0.31557 -0.63042 -0.32022 0.04684 11 6PY -0.01174 0.35474 0.09661 0.81509 0.05438 12 6PZ -0.12749 0.34766 0.46491 -0.64991 0.05270 13 7D 0 0.05505 -0.01978 0.03716 0.02092 -0.02016 14 7D+1 -0.02417 0.01444 -0.01523 0.02516 -0.01484 15 7D-1 -0.00086 -0.00232 0.00511 0.00179 -0.00447 16 7D+2 -0.03021 -0.04020 -0.02214 0.01797 -0.02465 17 7D-2 0.01088 0.01174 0.00293 -0.00202 0.00254 18 8D 0 0.02026 -0.02910 -0.00551 -0.00620 0.03105 19 8D+1 -0.00535 -0.01553 0.00224 -0.02152 0.02510 20 8D-1 0.01393 -0.00308 0.00265 0.00193 0.01721 21 8D+2 -0.01469 -0.03713 0.00059 0.00534 0.03955 22 8D-2 -0.01063 0.00861 -0.00548 -0.00237 0.00308 23 2 Cu 1S -0.01677 -0.00541 -0.00352 -0.00487 0.03163 24 2S -0.22296 0.14071 -0.09122 -0.00564 0.04516 25 3S -6.68333 6.67291 -3.82599 0.04409 -0.38069 26 4PX -0.06645 0.03370 -0.01068 0.00199 -0.00534 27 4PY -0.03436 0.04953 -0.03003 -0.00003 0.00085 28 4PZ 0.06896 -0.04161 0.02897 0.00473 0.00205 29 5PX 2.12296 -0.60574 0.53785 0.30378 0.00262 30 5PY 0.40181 -2.39776 0.67182 -0.01158 0.08840 31 5PZ -2.05674 1.19785 -0.82388 0.22362 -0.14670 32 6PX 0.64580 -0.59472 0.37872 0.16096 0.00008 33 6PY 0.37527 -0.62444 0.67643 -0.55447 0.14210 34 6PZ -0.69790 0.31235 -0.34957 -0.62099 0.27179 35 7D 0 -0.03344 0.01476 0.00534 0.00205 0.00193 36 7D+1 0.06900 -0.00850 0.02459 -0.01566 0.04304 37 7D-1 0.00079 -0.07003 0.01964 0.00207 0.01621 38 7D+2 -0.06178 -0.08465 0.01552 -0.03455 -0.00670 39 7D-2 -0.00699 0.05420 0.00652 -0.02591 -0.03205 40 8D 0 -0.00584 -0.00619 -0.00544 0.01698 -0.01019 41 8D+1 0.02886 0.00625 0.00355 0.00847 -0.04846 42 8D-1 0.00507 -0.02433 -0.01011 -0.00644 -0.00832 43 8D+2 -0.01959 -0.02431 -0.01051 0.00323 0.02319 44 8D-2 -0.01110 0.00625 -0.00808 0.00031 0.03869 45 3 Cu 1S 0.01791 -0.00513 0.00318 -0.00460 0.03173 46 2S 0.23496 0.13267 0.09511 -0.00548 0.04512 47 3S 7.02679 6.22270 4.00811 -0.00219 -0.39647 48 4PX -0.07690 -0.03609 -0.02544 0.00378 0.00385 49 4PY 0.06369 0.05715 0.03655 -0.00066 -0.00065 50 4PZ 0.03674 0.00885 -0.00464 0.00360 -0.00445 51 5PX 2.34483 0.70163 0.82864 0.09830 -0.11950 52 5PY -1.36486 -2.52353 -0.93689 0.02905 0.11063 53 5PZ -1.40310 0.23862 -0.08467 0.36263 -0.06041 54 6PX 0.72388 0.30443 0.33467 -0.73840 0.27394 55 6PY -0.69829 -0.71726 -0.78458 -0.40824 0.10462 56 6PZ -0.35107 -0.31632 -0.13503 0.02246 0.06988 57 7D 0 0.00007 -0.07583 -0.02305 -0.02840 0.02484 58 7D+1 -0.05143 0.04282 -0.01549 -0.00757 0.02649 59 7D-1 0.03707 -0.00614 -0.01788 -0.03188 -0.02663 60 7D+2 0.05557 -0.06576 -0.01054 -0.00327 0.00000 61 7D-2 -0.03822 -0.05634 -0.01712 0.01407 0.03401 62 8D 0 -0.00496 -0.01058 0.00094 0.00222 -0.01569 63 8D+1 -0.02294 0.01155 -0.00107 0.01559 -0.03841 64 8D-1 0.01980 -0.01193 0.01362 -0.00334 0.04166 65 8D+2 0.01222 -0.02802 0.01058 0.00914 0.00427 66 8D-2 -0.02018 -0.01288 0.00203 -0.00826 -0.03286 67 4 Cu 1S 0.00051 0.01002 0.00056 0.00700 -0.07246 68 2S 0.00444 -0.01594 0.00346 0.05950 -0.20850 69 3S 0.02988 -2.83318 0.02005 0.39077 3.40753 70 4PX -0.04450 -0.02262 -0.01106 -0.02351 0.01441 71 4PY 0.00846 0.13424 0.00397 0.01204 -0.03058 72 4PZ 0.03718 -0.06420 0.00617 -0.03710 0.02730 73 5PX 1.64002 0.48469 0.82392 0.77786 -0.02391 74 5PY -0.31804 -4.25088 -0.18122 0.17681 -0.12177 75 5PZ -1.35197 1.74364 -0.54970 1.10416 -0.00224 76 6PX -0.34645 -0.28267 2.42221 1.70925 -0.27605 77 6PY 0.09588 -1.58456 -0.42345 2.44137 -0.69602 78 6PZ 0.26791 0.01432 -1.72231 1.98438 -0.22605 79 7D 0 0.09723 0.01281 -0.01084 0.00788 -0.03191 80 7D+1 -0.04062 0.00778 0.00312 0.00624 -0.08898 81 7D-1 -0.02294 -0.00831 -0.01300 -0.03046 0.13411 82 7D+2 -0.03167 0.01567 0.01029 -0.00065 0.05020 83 7D-2 0.05633 -0.01013 0.01272 -0.02034 0.07108 84 8D 0 0.02425 0.00649 -0.01895 0.02099 0.04795 85 8D+1 -0.01116 0.00880 0.01166 0.00967 0.13657 86 8D-1 -0.01164 0.00237 0.02370 0.03402 -0.21885 87 8D+2 -0.00484 0.00631 0.00046 0.03837 -0.08262 88 8D-2 0.02364 0.00041 -0.03562 0.01289 -0.11645 89 5 Cu 1S -0.01198 0.01540 0.02581 -0.01639 -0.02653 90 2S -0.10450 -0.03753 0.09975 -0.10392 -0.04075 91 3S -1.01690 -3.61687 0.11024 -1.42178 -0.51424 92 4PX -0.01883 -0.01427 0.00019 -0.01537 -0.00403 93 4PY 0.01966 0.02110 -0.00360 0.00347 0.00283 94 4PZ 0.01303 0.03182 -0.02280 0.03203 -0.00152 95 5PX 0.64642 0.32122 0.01184 0.55599 0.01171 96 5PY -0.31301 -0.97985 0.33756 -0.28767 0.03897 97 5PZ -0.49381 -0.63743 0.03940 -0.23423 -0.15634 98 6PX 0.27738 0.53965 -0.70733 -0.27373 0.01586 99 6PY -0.17354 0.00025 0.25712 -0.95812 0.21364 100 6PZ 0.22058 -0.23012 -0.30976 0.01334 -0.42432 101 7D 0 -0.03932 -0.01295 0.01378 -0.02034 0.05118 102 7D+1 -0.02958 0.01076 -0.00662 -0.00346 0.00240 103 7D-1 0.03592 0.02717 -0.01041 0.00944 0.00125 104 7D+2 -0.02035 0.02385 -0.03428 -0.02699 0.00560 105 7D-2 0.00242 -0.02999 -0.01755 0.02148 0.00904 106 8D 0 0.00099 0.01670 -0.03907 0.04301 -0.07404 107 8D+1 0.01371 -0.00511 0.00041 -0.00001 -0.00775 108 8D-1 -0.01105 -0.00886 0.02267 -0.02082 0.00980 109 8D+2 -0.01018 0.02220 0.01069 0.00271 -0.00812 110 8D-2 0.00707 0.02034 0.01189 0.00010 -0.02112 111 6 Cu 1S -0.00155 -0.00574 -0.00008 0.00320 0.03161 112 2S -0.02032 -0.02693 0.00168 0.12771 0.03959 113 3S -0.60480 -1.35461 0.06457 4.75535 -0.55983 114 4PX -0.02243 0.01150 0.00143 -0.02989 0.00452 115 4PY 0.00747 0.00570 -0.00033 0.00983 0.00730 116 4PZ 0.02604 0.01452 -0.00175 -0.04445 0.00482 117 5PX 1.39191 -0.25261 0.18189 0.87689 -0.13974 118 5PY -0.35612 -1.38487 -0.04504 -0.29818 -0.01688 119 5PZ -1.25194 -0.00008 -0.10073 1.31844 -0.19675 120 6PX 0.40193 -0.24038 -0.55256 0.52841 -0.00058 121 6PY -0.09887 -0.83857 0.07069 0.13751 0.21151 122 6PZ -0.38185 -0.15088 0.39905 0.69788 -0.05380 123 7D 0 -0.09776 0.04345 0.00692 0.03363 -0.02208 124 7D+1 0.03407 0.01325 -0.00670 0.02661 -0.04476 125 7D-1 -0.03797 -0.03842 -0.02806 -0.03057 -0.02805 126 7D+2 0.06440 0.04690 0.00938 0.02779 -0.01585 127 7D-2 0.01866 -0.04251 0.03867 -0.02786 -0.02034 128 8D 0 -0.02638 0.01022 -0.01245 -0.00468 0.01732 129 8D+1 0.00800 0.00220 0.00606 -0.00684 0.04761 130 8D-1 -0.01301 -0.04461 0.00425 0.01208 0.04222 131 8D+2 0.01848 -0.00001 0.00472 0.00021 0.01068 132 8D-2 0.00689 -0.03231 -0.01020 0.00789 0.03233 133 7 Cu 1S 0.01107 0.01572 -0.02519 -0.01595 -0.02772 134 2S 0.09707 -0.03789 -0.10488 -0.10455 -0.04273 135 3S 0.96382 -3.64547 -0.32828 -1.47013 -0.50777 136 4PX -0.02084 0.03787 0.02494 0.03564 0.00047 137 4PY -0.01157 0.01411 0.00047 -0.00424 0.00176 138 4PZ 0.01486 -0.00636 0.00724 -0.00375 -0.00442 139 5PX 0.67137 -0.91341 -0.16656 -0.46999 -0.14048 140 5PY 0.01253 -0.78507 -0.34626 -0.13265 0.06802 141 5PZ -0.51451 0.23237 0.04310 0.47434 -0.05298 142 6PX -0.05209 -0.36988 -0.02321 -0.10194 -0.35335 143 6PY 0.10323 0.13831 -0.13434 -0.98269 0.26631 144 6PZ -0.35270 0.40467 0.81416 -0.13917 -0.16695 145 7D 0 0.03102 0.03054 0.02937 -0.02041 -0.01339 146 7D+1 0.03754 -0.01516 -0.00988 -0.00345 0.03043 147 7D-1 -0.01116 -0.00855 0.03184 0.01580 0.00565 148 7D+2 0.02279 0.01455 0.00153 -0.03032 0.03776 149 7D-2 -0.03564 0.03159 0.00242 0.01373 -0.01332 150 8D 0 0.00339 0.00462 -0.01610 -0.01002 0.01758 151 8D+1 -0.01672 0.00407 0.02498 0.02474 -0.04989 152 8D-1 0.00102 0.02135 -0.02533 -0.01029 -0.01108 153 8D+2 0.01369 0.01418 0.02047 0.02557 -0.04743 154 8D-2 0.00295 -0.02191 -0.02465 -0.02874 0.03056 155 8 C 1S -0.00140 0.07191 0.00089 0.00574 0.04160 156 2S 0.00073 -0.03889 -0.00155 -0.02757 -0.22359 157 3S 0.04327 -2.42593 -0.02169 -0.10366 -2.13170 158 4PX -0.19361 0.00378 0.66727 0.45932 -0.10241 159 4PY 0.03991 0.05954 -0.11250 0.29048 0.97991 160 4PZ 0.15289 -0.00263 -0.45734 0.60271 -0.39218 161 5PX -0.06030 0.37150 -1.44065 -0.93157 0.12083 162 5PY 0.02185 0.36720 0.23436 -1.16031 -0.45134 163 5PZ 0.03420 0.40267 1.00418 -1.09180 0.28566 164 9 O 1S 0.00044 -0.04324 0.00026 0.01543 -0.08846 165 2S -0.00153 0.08362 -0.00042 -0.02574 0.24742 166 3S -0.00354 0.66416 -0.00334 -0.26260 0.80849 167 4PX 0.04539 -0.04802 0.11747 0.06350 0.06359 168 4PY -0.01194 0.11733 -0.01692 0.06520 0.16594 169 4PZ -0.03230 -0.09247 -0.08234 0.07794 0.04573 170 5PX 0.03564 -0.10703 0.09134 0.08585 -0.28599 171 5PY -0.01254 0.29436 -0.01716 -0.01333 1.18446 172 5PZ -0.02517 -0.22240 -0.06359 0.12984 -0.69532 126 127 128 129 130 V V V V V EIGENVALUES -- 0.63618 0.64634 0.65634 0.67092 0.67413 1 1 Cu 1S -0.01078 0.17340 -0.07930 -0.00149 -0.06987 2 2S -0.00553 0.32833 -0.08911 -0.00434 -0.11399 3 3S 0.11623 -2.40959 1.82862 0.06974 2.07503 4 4PX -0.00064 -0.00321 0.00636 0.00057 0.00205 5 4PY 0.00398 0.00118 0.00364 0.00031 0.01023 6 4PZ -0.00181 -0.00482 0.00827 -0.00104 0.00063 7 5PX -0.00926 0.31437 -0.36432 0.26412 -0.21485 8 5PY -0.21166 0.31932 -0.29719 -0.05744 -0.44005 9 5PZ 0.03857 0.37676 -0.47647 -0.17215 -0.16165 10 6PX 0.02450 0.25848 -0.07386 -0.14103 -0.03997 11 6PY 0.44976 0.08445 0.38599 0.00044 -0.31960 12 6PZ -0.06725 0.35031 -0.17797 0.10106 -0.00541 13 7D 0 -0.09339 -0.00765 0.02028 0.05291 0.00835 14 7D+1 -0.07195 0.00026 0.18446 -0.02116 0.14467 15 7D-1 0.11624 -0.03776 0.09943 0.01565 -0.03286 16 7D+2 -0.06901 -0.02722 -0.06380 -0.03863 -0.07748 17 7D-2 0.09670 -0.01596 0.10898 -0.01183 0.01187 18 8D 0 0.11279 -0.00445 -0.02042 -0.03509 -0.01748 19 8D+1 0.10158 -0.02879 -0.23777 0.01348 -0.20069 20 8D-1 -0.15743 0.02765 -0.11516 -0.01338 0.06248 21 8D+2 0.06885 0.02449 0.09212 0.02906 0.11079 22 8D-2 -0.12275 0.00526 -0.13452 0.01496 -0.00305 23 2 Cu 1S 0.02239 -0.03672 -0.02499 0.05794 0.01549 24 2S 0.05825 -0.06856 -0.03407 0.03637 0.04094 25 3S 1.06898 0.89714 0.05623 -2.82326 -0.15698 26 4PX 0.00015 -0.00206 0.00277 -0.00986 0.00452 27 4PY 0.00384 -0.00779 0.00523 -0.00839 -0.00024 28 4PZ -0.00461 0.00453 0.00541 0.01851 -0.00019 29 5PX -0.09661 0.17809 -0.26783 0.69564 -0.11552 30 5PY -0.32281 0.15040 -0.29131 0.23358 -0.02559 31 5PZ 0.08202 0.09272 -0.36778 -0.68649 -0.04202 32 6PX -0.26045 0.47033 -0.25344 0.67953 -0.05979 33 6PY -0.40356 0.17635 -0.45695 -0.21220 0.09990 34 6PZ -0.40505 0.20231 -0.79897 -0.18548 0.20841 35 7D 0 0.03582 -0.10985 0.14566 0.05843 0.04526 36 7D+1 0.08421 -0.13622 -0.16646 0.05334 -0.11107 37 7D-1 -0.10201 -0.05135 0.05755 0.10021 0.06947 38 7D+2 0.12346 0.13792 0.04732 0.08360 -0.02197 39 7D-2 -0.12676 0.05116 0.07876 -0.09298 -0.09998 40 8D 0 -0.05215 0.16150 -0.22679 -0.08072 -0.06440 41 8D+1 -0.12450 0.18379 0.23221 -0.05104 0.14881 42 8D-1 0.13488 0.10168 -0.07950 -0.13313 -0.10919 43 8D+2 -0.17292 -0.19516 -0.04916 -0.13488 0.03917 44 8D-2 0.18604 -0.08574 -0.10953 0.11687 0.13157 45 3 Cu 1S 0.02400 -0.03580 -0.02881 -0.05289 0.02128 46 2S 0.05990 -0.06639 -0.03628 -0.02499 0.04214 47 3S 0.99760 0.91167 0.26456 2.83683 -0.55237 48 4PX -0.00328 0.00300 0.00401 -0.01920 0.00135 49 4PY 0.00396 -0.00823 0.00587 0.01298 -0.00153 50 4PZ -0.00197 0.00061 0.00371 0.00139 0.00464 51 5PX 0.02668 0.06552 -0.25745 0.82294 -0.11675 52 5PY -0.32953 0.16088 -0.31826 -0.46062 0.02933 53 5PZ -0.01178 0.18073 -0.35818 -0.35037 -0.08804 54 6PX -0.37233 0.06227 -0.70408 0.49273 0.17729 55 6PY -0.37802 0.22405 -0.36903 0.06094 0.06448 56 6PZ -0.31274 0.48572 -0.49233 -0.56236 0.07019 57 7D 0 0.16552 0.05197 -0.13448 -0.08179 -0.06599 58 7D+1 0.02625 -0.18514 -0.04146 -0.02671 -0.07440 59 7D-1 -0.11423 0.08403 0.10360 0.01335 -0.05571 60 7D+2 0.06450 -0.00519 0.16156 -0.12044 0.11512 61 7D-2 -0.07340 -0.10386 -0.05926 -0.08670 0.07685 62 8D 0 -0.23564 -0.08028 0.20680 0.11069 0.09978 63 8D+1 -0.04000 0.25374 0.03878 0.01815 0.09742 64 8D-1 0.16501 -0.12072 -0.13516 -0.00416 0.06843 65 8D+2 -0.09478 0.02701 -0.23377 0.17800 -0.15883 66 8D-2 0.09318 0.17157 0.08255 0.10138 -0.11650 67 4 Cu 1S -0.03492 0.02939 0.00955 -0.00141 -0.01073 68 2S -0.06822 0.07251 -0.00805 0.00174 0.00720 69 3S 0.01528 2.78386 1.47204 -0.19180 -2.00264 70 4PX -0.00600 0.00534 0.01885 -0.01417 0.00310 71 4PY 0.02589 -0.00920 -0.00694 0.00343 0.01565 72 4PZ -0.01455 0.00960 0.02941 0.00824 0.00034 73 5PX 0.01553 -0.01158 -0.33807 0.61281 -0.24381 74 5PY -0.55243 0.26513 -0.32902 -0.08619 -0.14287 75 5PZ 0.15701 -0.07593 -0.45771 -0.44579 -0.25216 76 6PX 0.16631 -0.16513 0.05732 -0.02808 -0.35953 77 6PY 0.56598 -0.28538 0.63387 -0.14912 -1.66747 78 6PZ 0.11921 -0.17320 -0.05891 0.01619 -0.16175 79 7D 0 -0.07839 0.06982 -0.08911 -0.17607 0.05064 80 7D+1 -0.03784 0.13075 0.04771 0.09390 0.16134 81 7D-1 0.07453 -0.01591 0.02225 0.03134 0.00063 82 7D+2 -0.08449 0.02058 -0.15579 0.07818 -0.04793 83 7D-2 0.07756 -0.00628 0.06659 -0.09667 0.04971 84 8D 0 0.11745 -0.10082 0.13993 0.26398 -0.08216 85 8D+1 0.06003 -0.20712 -0.06453 -0.14376 -0.26225 86 8D-1 -0.11035 0.04660 -0.04612 -0.04844 0.00153 87 8D+2 0.12449 -0.00896 0.23582 -0.11662 0.07436 88 8D-2 -0.11425 0.01712 -0.10892 0.15002 -0.07602 89 5 Cu 1S 0.05452 0.16037 0.04965 0.04908 -0.03757 90 2S 0.08857 0.30643 0.09279 0.05481 -0.09104 91 3S -0.77515 -2.62520 -0.99123 -0.89168 0.23645 92 4PX 0.00028 -0.00309 0.00139 -0.00614 -0.00279 93 4PY 0.00740 0.00189 0.00197 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3.12462 -1.54873 0.09341 0.12576 114 4PX 0.00560 -0.00830 0.00981 -0.01024 -0.00650 115 4PY 0.00181 0.00515 0.00170 0.00178 0.00705 116 4PZ 0.00764 -0.01282 0.01394 0.00542 -0.01232 117 5PX -0.18073 0.34323 -0.34676 0.54006 0.02511 118 5PY -0.25452 -0.09559 -0.26108 -0.09009 -0.21329 119 5PZ -0.19697 0.50667 -0.47306 -0.34054 0.15092 120 6PX -0.02541 0.06816 -0.07240 0.53735 0.01269 121 6PY -0.50264 -0.01831 -0.76027 -0.05520 0.22284 122 6PZ 0.07928 0.10688 0.01950 -0.36810 0.02688 123 7D 0 -0.11365 0.03705 -0.00500 0.14476 0.03018 124 7D+1 0.00363 0.23985 -0.06612 -0.05344 0.06982 125 7D-1 -0.13505 0.05189 0.02359 -0.00400 -0.14622 126 7D+2 -0.22943 -0.07777 0.03039 -0.08262 -0.02904 127 7D-2 -0.02534 0.09040 0.00028 0.02428 -0.09852 128 8D 0 0.16210 -0.04868 0.00288 -0.22019 -0.03169 129 8D+1 -0.01042 -0.34710 0.07706 0.08125 -0.09690 130 8D-1 0.17538 -0.06151 -0.04751 -0.00499 0.19581 131 8D+2 0.32525 0.12577 -0.04188 0.13102 0.05059 132 8D-2 0.02354 -0.12464 -0.01200 -0.02521 0.12658 133 7 Cu 1S 0.05528 0.16153 0.04567 -0.05145 -0.03339 134 2S 0.08979 0.30770 0.08788 -0.06393 -0.08579 135 3S -0.76898 -2.65317 -0.92040 0.89165 0.19794 136 4PX -0.00322 0.00516 0.00068 -0.00166 0.00180 137 4PY 0.00813 0.00058 0.00187 -0.00549 -0.00187 138 4PZ -0.00267 -0.00174 0.00187 0.00684 -0.00256 139 5PX -0.07390 -0.47376 -0.25413 0.32319 -0.04487 140 5PY -0.27082 -0.15523 -0.13714 0.07314 0.09527 141 5PZ 0.06309 0.36444 -0.09777 -0.26232 0.13958 142 6PX 0.05496 -0.50175 0.17388 -0.26662 0.01756 143 6PY -0.09958 -0.20796 -0.04890 0.10282 0.45183 144 6PZ 0.17755 0.15026 0.31528 0.03073 -0.09456 145 7D 0 -0.00699 -0.05797 0.05954 -0.03695 -0.03775 146 7D+1 -0.01198 -0.06851 -0.01968 -0.14619 -0.07022 147 7D-1 0.17771 0.07893 -0.07059 -0.03380 0.07120 148 7D+2 0.03312 0.00095 -0.05797 0.11725 -0.07688 149 7D-2 -0.07038 0.00276 -0.12331 0.14330 -0.07142 150 8D 0 0.01950 0.06820 -0.04959 0.06303 0.05311 151 8D+1 0.02758 0.13634 0.02381 0.20268 0.11360 152 8D-1 -0.23794 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5PZ 0.02319 0.25997 -0.08629 -0.40030 -0.24139 131 132 133 134 135 V V V V V EIGENVALUES -- 0.67801 0.69036 0.69758 0.71036 0.73494 1 1 Cu 1S 0.00321 0.05494 -0.14182 0.00207 -0.00305 2 2S 0.00563 0.08885 -0.27059 0.00326 0.01267 3 3S -0.08040 -0.76771 3.27771 -0.05403 0.42122 4 4PX 0.00202 -0.00502 0.00084 0.00014 -0.00530 5 4PY -0.00054 -0.00381 0.00213 -0.00030 0.00549 6 4PZ -0.00118 -0.00637 0.00067 -0.00046 -0.00902 7 5PX -0.14647 0.16628 -0.38784 0.28388 -0.08074 8 5PY 0.03739 0.16486 -0.28193 -0.02958 0.06373 9 5PZ 0.11068 0.22891 -0.49509 -0.18612 -0.12154 10 6PX -0.13647 0.02905 -0.40652 0.23738 -0.01474 11 6PY 0.02541 0.14604 -0.49281 -0.02741 -0.35027 12 6PZ 0.10391 0.00892 -0.47584 -0.15911 0.06077 13 7D 0 -0.05474 -0.04091 -0.10151 -0.15534 0.02469 14 7D+1 0.03579 -0.12145 -0.14905 0.04979 -0.03323 15 7D-1 0.08543 0.07672 -0.05624 -0.10715 0.16633 16 7D+2 -0.00998 0.04100 -0.08277 0.12800 0.11707 17 7D-2 -0.14196 0.02037 -0.03053 0.11184 0.07778 18 8D 0 0.06866 0.05591 0.16456 0.23778 -0.01939 19 8D+1 -0.05007 0.17748 0.25573 -0.07478 0.07236 20 8D-1 -0.13802 -0.13344 0.11757 0.17381 -0.25043 21 8D+2 0.02613 -0.06922 0.13213 -0.20022 -0.16142 22 8D-2 0.22225 -0.04048 0.07043 -0.18598 -0.11890 23 2 Cu 1S -0.00853 0.01925 0.13875 0.21132 0.01752 24 2S -0.01725 0.06119 0.20281 0.32112 0.02184 25 3S 0.75569 0.86461 -4.17419 -5.94582 -0.84492 26 4PX -0.00463 -0.00525 -0.00767 -0.01123 0.00095 27 4PY 0.00822 0.01124 -0.00978 -0.01341 0.01065 28 4PZ -0.00821 -0.00271 0.00821 0.00870 0.01498 29 5PX 0.15182 0.19610 0.49423 0.77980 0.14394 30 5PY -0.22009 -0.18858 0.61089 0.71730 0.05611 31 5PZ 0.15239 0.11840 -0.47219 -0.70724 -0.11925 32 6PX 0.04288 0.17030 0.23527 0.44377 0.19464 33 6PY -0.28255 0.03434 0.43102 0.69419 0.24185 34 6PZ -0.07346 0.15783 -0.38682 -0.53276 0.13000 35 7D 0 0.05648 0.01306 -0.00648 -0.07226 0.12056 36 7D+1 0.01525 0.01280 0.12544 -0.08728 0.05896 37 7D-1 -0.13969 -0.10659 0.03016 -0.02235 -0.03220 38 7D+2 0.00767 0.10449 -0.03432 0.03609 0.03509 39 7D-2 -0.14527 0.15664 0.07216 -0.05655 0.04732 40 8D 0 -0.06894 -0.01534 -0.00871 0.11307 -0.16784 41 8D+1 -0.03515 -0.01687 -0.19323 0.18087 -0.09494 42 8D-1 0.19615 0.16281 -0.05799 0.00396 0.04489 43 8D+2 -0.03400 -0.16523 0.05436 -0.03832 -0.05950 44 8D-2 0.20221 -0.24077 -0.16411 0.06499 -0.08991 45 3 Cu 1S 0.00575 0.02630 0.13707 -0.20996 0.01859 46 2S 0.00935 0.07023 0.19992 -0.31783 0.02341 47 3S -0.78176 0.57398 -4.12996 5.97741 -0.88578 48 4PX 0.00443 0.00267 0.00824 -0.00904 0.01570 49 4PY -0.00932 0.00897 -0.01206 0.01679 0.00822 50 4PZ 0.00827 -0.00708 -0.00275 0.00495 0.00476 51 5PX -0.04213 -0.04023 -0.46650 0.75913 -0.14793 52 5PY 0.22568 -0.10930 0.75173 -0.95078 0.10866 53 5PZ -0.22580 0.25875 0.20760 -0.36607 0.08212 54 6PX 0.12673 0.08876 -0.33631 0.49448 0.08682 55 6PY 0.25962 0.09308 0.51769 -0.83323 0.24448 56 6PZ -0.05292 0.22005 0.02242 -0.11947 0.20484 57 7D 0 -0.03727 0.05344 0.02939 -0.01648 0.01356 58 7D+1 -0.01940 0.02934 0.11390 0.12891 0.11546 59 7D-1 0.17741 0.13981 0.05423 0.03520 0.03129 60 7D+2 -0.04223 -0.01556 -0.06459 0.00269 0.06671 61 7D-2 0.09908 -0.15163 0.04659 0.00997 -0.06078 62 8D 0 0.07955 -0.08245 -0.02634 -0.01945 -0.02787 63 8D+1 0.02621 -0.03788 -0.19766 -0.22611 -0.17290 64 8D-1 -0.23852 -0.21672 -0.13233 -0.02604 -0.06766 65 8D+2 0.05912 0.02407 0.09709 0.00281 -0.08824 66 8D-2 -0.13985 0.23449 -0.06373 0.00019 0.09091 67 4 Cu 1S 0.00110 -0.04016 -0.03107 -0.00184 0.05554 68 2S -0.00019 -0.04791 -0.03591 -0.00150 0.10653 69 3S 0.09543 0.73837 1.33201 0.11172 -0.68256 70 4PX -0.01397 0.00060 0.00735 0.00708 -0.01183 71 4PY 0.00192 -0.01479 0.01078 -0.00144 -0.00472 72 4PZ 0.00998 0.00497 0.00796 -0.00473 -0.01559 73 5PX 0.27488 -0.10285 -0.13860 0.11619 0.34996 74 5PY -0.04212 0.22489 0.17969 -0.00231 0.45648 75 5PZ -0.17035 -0.18455 -0.24244 -0.09801 0.39356 76 6PX 0.34619 0.07604 -0.25225 -0.07266 -0.10100 77 6PY 0.03704 -1.08702 0.07820 0.01283 -0.34548 78 6PZ -0.25433 0.36709 -0.38657 0.05247 -0.10665 79 7D 0 -0.04484 -0.00636 0.05587 0.05182 -0.02243 80 7D+1 -0.00404 0.02998 0.19966 -0.00410 -0.01356 81 7D-1 -0.12169 -0.10430 0.12619 0.12639 -0.04248 82 7D+2 0.08384 -0.06386 -0.00246 -0.08289 -0.04138 83 7D-2 0.16458 -0.03801 0.11176 -0.16533 -0.01527 84 8D 0 0.08597 -0.00740 -0.10139 -0.06967 0.04879 85 8D+1 0.00039 -0.06894 -0.34887 -0.00361 0.02211 86 8D-1 0.18952 0.16278 -0.22739 -0.23168 0.07469 87 8D+2 -0.13815 0.08389 -0.00398 0.13788 0.08907 88 8D-2 -0.25256 0.06192 -0.19778 0.30820 0.02152 89 5 Cu 1S 0.04917 0.11618 0.02317 -0.10882 -0.01019 90 2S 0.05692 0.20936 0.05044 -0.19465 -0.04719 91 3S -1.49041 -2.12728 -1.11858 2.82917 -0.20721 92 4PX -0.00153 0.00010 0.00127 0.00127 -0.00321 93 4PY 0.00173 0.00321 0.00259 0.00148 -0.00730 94 4PZ 0.00898 0.00071 0.00070 -0.00322 0.00888 95 5PX 0.13004 0.28943 0.37705 -0.21800 0.12086 96 5PY -0.27577 -0.43708 0.10413 0.55143 -0.03987 97 5PZ -0.32701 -0.18698 -0.10617 0.24485 0.00970 98 6PX -0.05210 0.27930 0.41433 -0.23091 0.05941 99 6PY -0.22816 0.05979 -0.08184 0.58915 0.01013 100 6PZ 0.07642 -0.42365 -0.11397 0.35178 -0.07693 101 7D 0 -0.07385 0.04346 -0.06769 0.06813 -0.01181 102 7D+1 0.10377 0.01561 -0.12631 -0.04861 0.04214 103 7D-1 0.06302 -0.03953 -0.04064 0.00163 -0.04080 104 7D+2 0.06080 0.07694 0.08183 0.15274 0.11160 105 7D-2 0.14017 -0.04752 -0.11371 0.10547 -0.03611 106 8D 0 0.10129 -0.04416 0.09537 -0.11277 0.03177 107 8D+1 -0.14190 -0.00801 0.21075 0.06047 -0.06961 108 8D-1 -0.11700 0.03332 0.06756 0.02743 0.05367 109 8D+2 -0.07985 -0.09263 -0.14688 -0.24819 -0.15764 110 8D-2 -0.19497 0.09510 0.18053 -0.19221 0.06125 111 6 Cu 1S 0.00051 -0.07644 -0.19223 0.00044 -0.07291 112 2S 0.00069 -0.10611 -0.29060 0.00083 -0.09725 113 3S -0.02714 2.72466 5.95040 0.00481 2.38329 114 4PX -0.00112 -0.00213 -0.01381 0.00738 -0.00633 115 4PY 0.00013 0.00040 -0.00365 -0.00102 -0.00470 116 4PZ 0.00108 -0.00350 -0.01873 -0.00501 -0.00788 117 5PX 0.09987 0.23058 0.75284 -0.02677 0.34241 118 5PY -0.00590 -0.01408 0.54944 -0.00074 0.04236 119 5PZ -0.07483 0.34680 0.95094 0.01399 0.47957 120 6PX 0.24426 0.16029 0.57148 0.04754 0.20745 121 6PY -0.03526 -0.18524 0.22026 -0.01286 0.34211 122 6PZ -0.17738 0.25995 0.77727 -0.03616 0.23332 123 7D 0 0.11348 -0.01166 0.07843 0.01418 -0.02783 124 7D+1 -0.03430 0.03430 0.04280 0.01289 -0.10076 125 7D-1 0.09595 0.09867 -0.09614 0.11993 -0.06161 126 7D+2 -0.09824 -0.01223 0.07319 -0.05863 0.00124 127 7D-2 -0.09707 0.07475 -0.08735 -0.16066 -0.05787 128 8D 0 -0.15540 0.01457 -0.11313 -0.01924 0.05281 129 8D+1 0.04848 -0.06935 -0.07342 -0.02574 0.15640 130 8D-1 -0.12153 -0.12797 0.19300 -0.21105 0.09696 131 8D+2 0.12963 0.02990 -0.08137 0.10018 0.01334 132 8D-2 0.12029 -0.10597 0.15603 0.28438 0.08542 133 7 Cu 1S -0.05039 0.11185 0.02426 0.11322 -0.01020 134 2S -0.05654 0.20204 0.05246 0.20212 -0.04763 135 3S 1.53232 -2.01093 -1.13732 -2.92231 -0.18776 136 4PX -0.00913 0.00079 0.00076 0.00349 0.00769 137 4PY -0.00021 0.00314 0.00267 -0.00192 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-0.24197 0.05215 -0.00787 0.10656 158 4PX -0.01730 0.03321 0.02248 0.06452 0.02458 159 4PY 0.02077 -0.19776 0.02604 -0.01017 0.14284 160 4PZ 0.00297 0.09901 0.02445 -0.04307 0.00124 161 5PX 0.12522 -0.00959 0.01887 -0.12625 -0.47300 162 5PY -0.06099 0.48050 -0.00256 0.02208 -0.54868 163 5PZ -0.07055 -0.15641 0.03699 0.08189 -0.55017 164 9 O 1S 0.00080 -0.00379 -0.00062 -0.00009 0.00013 165 2S 0.00155 -0.04396 0.04010 0.00083 -0.04974 166 3S -0.01755 0.23625 -0.08148 0.00093 0.04133 167 4PX 0.26143 0.28457 -0.00693 0.04267 -0.33591 168 4PY -0.01052 -0.35265 0.16476 -0.00710 -0.33627 169 4PZ -0.21297 0.45370 -0.04073 -0.02649 -0.40883 170 5PX -0.39582 -0.41118 0.00041 -0.05741 0.59380 171 5PY 0.02303 0.40076 -0.28193 0.00886 0.76724 172 5PZ 0.31869 -0.62404 0.05442 0.03580 0.67881 136 137 138 139 140 V V V V V EIGENVALUES -- 0.77152 0.78569 0.81850 0.82689 0.84398 1 1 Cu 1S 0.00010 0.00080 0.02658 -0.00119 -0.10687 2 2S -0.00015 0.00174 0.03813 -0.00153 -0.22754 3 3S -0.02650 -0.00594 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0.10534 -0.12456 44 8D-2 -0.01724 -0.11697 -0.02181 -0.07469 -0.14746 45 3 Cu 1S -0.00739 -0.02786 0.01240 -0.05173 0.08421 46 2S 0.00145 -0.04667 0.00049 -0.08900 0.14385 47 3S 0.64769 0.60109 0.10646 1.41172 -2.22743 48 4PX 0.00411 -0.00956 0.00034 0.00001 0.00222 49 4PY 0.00915 -0.00693 -0.00755 0.00258 -0.00279 50 4PZ 0.00214 -0.00085 0.00121 0.00510 -0.00320 51 5PX 0.14397 -0.01325 -0.03743 0.12008 0.15609 52 5PY -0.16506 -0.12884 0.28116 -0.13265 0.58252 53 5PZ -0.04508 -0.05706 0.04260 -0.18292 0.12037 54 6PX -0.07535 0.40188 -0.32434 0.06622 -0.45436 55 6PY -0.20155 0.14113 -0.00934 -0.50445 0.04466 56 6PZ -0.05488 0.05646 -0.07614 0.15594 0.05473 57 7D 0 0.05773 -0.02109 -0.09644 0.09558 -0.01109 58 7D+1 0.05643 -0.09218 0.10713 0.05207 -0.01400 59 7D-1 0.02527 -0.08141 -0.04037 -0.07501 0.10474 60 7D+2 0.06773 -0.10377 0.06767 0.01451 0.11479 61 7D-2 0.05546 0.04390 -0.02140 -0.14472 -0.04322 62 8D 0 -0.08904 0.02653 0.16364 -0.17016 0.03850 63 8D+1 -0.09027 0.13352 -0.16644 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0.13502 -0.01014 0.11279 -0.07902 0.17632 163 5PZ 0.59854 -0.04239 0.25849 -0.32439 -0.09158 164 9 O 1S 0.00044 -0.00004 0.00162 -0.00029 -0.00544 165 2S -0.00342 0.00015 0.02948 0.00057 0.04501 166 3S 0.00301 -0.00004 0.14876 -0.01189 -0.17135 167 4PX -0.48223 0.04365 0.08506 0.24184 0.01470 168 4PY 0.07875 -0.00814 -0.05207 -0.03554 0.20026 169 4PZ 0.34133 -0.03245 0.08945 -0.18058 -0.01990 170 5PX 0.92775 -0.08413 -0.17783 -0.50598 -0.03720 171 5PY -0.15311 0.01628 -0.09875 0.08763 -0.30960 172 5PZ -0.65506 0.06211 -0.13624 0.37502 0.00418 141 142 143 144 145 V V V V V EIGENVALUES -- 0.86006 0.86883 0.86931 0.89685 0.90171 1 1 Cu 1S 0.00409 0.11522 0.02684 0.03220 0.00041 2 2S 0.00721 0.16062 0.03878 0.05713 0.00052 3 3S -0.06726 -3.08922 -0.68561 0.58456 -0.02397 4 4PX -0.00602 -0.00863 -0.00772 -0.00115 -0.01082 5 4PY 0.00067 -0.01854 -0.00318 0.01424 0.00164 6 4PZ 0.00377 -0.01123 0.00201 -0.00452 0.00764 7 5PX 0.19623 0.37401 0.29733 -0.01672 -0.03909 8 5PY -0.01138 0.81255 0.14601 0.07934 -0.00080 9 5PZ -0.12548 0.46780 -0.05353 -0.03310 0.03977 10 6PX -0.22808 0.21064 -0.12804 -0.14466 -0.22581 11 6PY 0.04106 0.06686 0.03956 -0.17545 0.04401 12 6PZ 0.18070 0.19553 0.17629 -0.15788 0.15687 13 7D 0 -0.18622 -0.01539 -0.24185 -0.03519 -0.08912 14 7D+1 0.09082 0.06416 0.13099 -0.10950 0.03723 15 7D-1 0.06750 -0.09128 0.09062 0.05173 0.00451 16 7D+2 0.06799 -0.21156 0.02972 0.02952 0.04974 17 7D-2 -0.13525 0.06423 -0.19594 0.01717 -0.02708 18 8D 0 0.34053 0.01899 0.43301 0.08226 0.14516 19 8D+1 -0.16656 -0.14730 -0.24442 0.20098 -0.06256 20 8D-1 -0.12486 0.15050 -0.17795 -0.11815 -0.01914 21 8D+2 -0.12341 0.38309 -0.04816 -0.03082 -0.07857 22 8D-2 0.24797 -0.13475 0.36426 -0.05500 0.05997 23 2 Cu 1S 0.08297 0.03753 0.03751 0.06832 -0.05785 24 2S 0.11071 0.03710 0.05279 0.09205 -0.08916 25 3S -1.99296 -0.48116 -0.70168 -1.89866 2.12184 26 4PX -0.00022 -0.00039 -0.00067 -0.01773 -0.00658 27 4PY -0.00816 -0.00699 0.00716 -0.00367 0.00842 28 4PZ 0.00561 0.00413 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-0.11318 -0.00038 -0.23930 113 3S 2.00645 -2.65194 0.81537 0.02374 2.39654 114 4PX -0.00551 0.01506 -0.00634 0.00442 -0.01349 115 4PY 0.01885 0.00230 -0.02076 -0.00065 -0.00706 116 4PZ -0.01237 0.02060 -0.00490 -0.00344 -0.01748 117 5PX 0.24557 -0.60662 -0.02299 0.22667 0.37196 118 5PY 0.05551 0.12367 0.10602 -0.03617 0.15459 119 5PZ 0.33661 -0.88680 -0.06237 -0.14562 0.49677 120 6PX 0.18902 -0.29748 -0.02374 0.20128 0.24992 121 6PY -0.07827 -0.02513 0.05954 -0.02847 0.33971 122 6PZ 0.28201 -0.41762 -0.06275 -0.13493 0.29098 123 7D 0 -0.11267 0.05324 -0.02490 0.04449 -0.10401 124 7D+1 -0.00418 0.11718 -0.03370 -0.03436 -0.10641 125 7D-1 0.04049 -0.02778 -0.04572 -0.08202 -0.17766 126 7D+2 -0.16272 0.00405 -0.03371 0.01092 -0.15451 127 7D-2 0.08765 -0.00386 -0.02639 0.12530 -0.09326 128 8D 0 0.20629 -0.13252 0.04327 -0.11998 0.22061 129 8D+1 0.01046 -0.23536 0.01799 0.08156 0.20682 130 8D-1 -0.04073 0.06181 0.08110 0.15597 0.37595 131 8D+2 0.30694 -0.04809 0.08737 -0.00149 0.33944 132 8D-2 -0.13984 0.02484 0.03352 -0.24819 0.19081 133 7 Cu 1S 0.01720 -0.05985 0.15463 -0.00373 0.00649 134 2S 0.01601 -0.16421 0.30977 0.04531 0.03719 135 3S -0.56884 -0.35130 -0.16801 0.03418 -0.27165 136 4PX 0.00115 0.01768 -0.00100 -0.00087 -0.00326 137 4PY 0.00845 -0.00055 0.00510 0.00864 0.00302 138 4PZ 0.00692 0.00157 -0.00807 -0.00064 -0.00615 139 5PX -0.11252 -0.53750 0.00974 0.09140 0.05962 140 5PY -0.04227 0.11465 -0.15306 -0.05035 0.10297 141 5PZ 0.12522 -0.26177 0.18467 -0.14614 0.16543 142 6PX -0.17360 -0.10629 -0.06255 -0.15733 -0.16959 143 6PY 0.16215 0.12960 -0.15942 0.01127 -0.04011 144 6PZ 0.10240 -0.04288 -0.04591 0.05803 -0.02347 145 7D 0 -0.07710 -0.14467 -0.06742 -0.01288 -0.00507 146 7D+1 -0.03568 0.12823 -0.13572 -0.00197 -0.10343 147 7D-1 0.09970 -0.11957 -0.16623 -0.04686 -0.09799 148 7D+2 -0.05087 0.14674 0.09367 0.02112 -0.03199 149 7D-2 0.01749 -0.11359 0.08886 0.16011 -0.05205 150 8D 0 0.13251 0.29707 0.14058 0.02626 -0.00265 151 8D+1 0.08722 -0.25722 0.29248 -0.01649 0.21705 152 8D-1 -0.18869 0.23186 0.33670 0.08529 0.20244 153 8D+2 0.08052 -0.30571 -0.19467 -0.03992 0.06000 154 8D-2 -0.03234 0.22239 -0.20268 -0.31759 0.13026 155 8 C 1S -0.01260 0.00016 0.01013 -0.00046 -0.00717 156 2S 0.05400 0.29507 -0.92250 0.01796 0.22862 157 3S 0.05965 -0.29336 2.32371 -0.04002 -0.53672 158 4PX -0.02124 0.09770 -0.03871 -0.05493 -0.02193 159 4PY -0.00467 -0.20836 0.06708 0.00844 -0.00337 160 4PZ -0.02960 0.18542 -0.06812 0.03697 -0.03153 161 5PX -0.17895 -0.28333 -0.16186 0.02141 0.01580 162 5PY -0.14818 0.28041 0.49215 -0.01226 -0.16168 163 5PZ -0.24200 -0.44904 -0.34957 -0.00546 0.05843 164 9 O 1S 0.00474 -0.00127 -0.00265 0.00002 0.00230 165 2S -0.03798 0.06518 -0.04136 0.00132 -0.01063 166 3S 0.00875 -0.02186 -0.02623 -0.00064 0.02632 167 4PX -0.04245 -0.10539 0.03912 0.01527 -0.00577 168 4PY -0.09759 -0.17356 0.13392 -0.00515 -0.03958 169 4PZ -0.04395 -0.09966 0.02004 -0.00968 0.00060 170 5PX 0.12883 0.25563 -0.06588 -0.00959 0.02389 171 5PY 0.18851 0.06648 -0.12937 0.00429 0.07212 172 5PZ 0.15660 0.32984 -0.05814 0.00606 0.01917 151 152 153 154 155 V V V V V EIGENVALUES -- 1.04779 1.06471 1.08250 1.16666 1.17915 1 1 Cu 1S 0.00034 -0.01327 -0.01812 -0.19430 0.00632 2 2S 0.00076 -0.00336 -0.04723 -0.23479 0.00502 3 3S 0.00143 0.13578 -0.04557 4.44112 -0.19091 4 4PX 0.01436 -0.00121 -0.00204 0.02140 -0.00080 5 4PY -0.00225 -0.01301 -0.00968 0.03658 -0.00183 6 4PZ -0.01025 0.00168 -0.00099 0.02241 -0.00121 7 5PX -0.01479 -0.03034 0.03964 -0.90389 0.39435 8 5PY 0.00206 0.20419 0.18467 -0.82540 -0.01191 9 5PZ 0.01315 -0.09382 0.02029 -1.14893 -0.20054 10 6PX -0.00660 -0.06597 0.00085 -0.26249 -0.35672 11 6PY 0.00104 -0.07843 -0.07389 -0.11188 0.06213 12 6PZ 0.00032 -0.07229 0.01734 -0.31323 0.27344 13 7D 0 -0.00286 -0.07982 -0.05482 -0.03414 -0.07433 14 7D+1 0.01955 -0.12408 -0.05619 -0.15542 0.03471 15 7D-1 0.12750 0.15643 0.09414 -0.18468 -0.02108 16 7D+2 -0.05203 0.00286 -0.02489 0.00122 0.05045 17 7D-2 -0.17443 0.10399 0.06712 -0.14656 0.02717 18 8D 0 0.04203 0.17482 0.12535 0.11139 0.22876 19 8D+1 -0.05471 0.28084 0.12767 0.40971 -0.10584 20 8D-1 -0.25551 -0.32786 -0.21105 0.46387 0.05869 21 8D+2 0.08497 -0.00698 0.05839 0.02016 -0.15265 22 8D-2 0.35870 -0.21536 -0.15129 0.36235 -0.06491 23 2 Cu 1S 0.07686 0.02307 0.02690 0.00189 0.00269 24 2S 0.13211 0.04697 0.04561 0.06232 -0.13312 25 3S -1.68446 -0.46672 -0.39227 0.70924 -1.75928 26 4PX -0.00743 -0.00568 -0.02010 0.00039 -0.00163 27 4PY -0.00315 0.00136 0.01143 -0.00194 -0.01789 28 4PZ 0.00700 -0.01195 -0.00513 -0.01343 0.01453 29 5PX 0.30510 0.13957 0.09163 -0.49528 1.01500 30 5PY 0.19568 0.00556 0.10472 -1.14640 -0.27222 31 5PZ -0.18923 -0.07836 -0.07826 -0.92389 -0.95509 32 6PX 0.18594 0.06670 0.04750 -0.38974 0.86356 33 6PY 0.14725 0.06375 0.10012 -0.43527 -0.32218 34 6PZ -0.18363 -0.08233 -0.06491 -0.62663 -0.06166 35 7D 0 0.07609 -0.01529 0.00058 0.20624 0.09191 36 7D+1 -0.13190 -0.09326 -0.09338 -0.03766 -0.10100 37 7D-1 0.13814 0.13907 0.06483 -0.01992 0.04639 38 7D+2 -0.09206 -0.07692 0.01672 0.07430 0.10509 39 7D-2 0.17376 0.07245 0.07138 -0.09943 0.03012 40 8D 0 -0.14796 0.00949 -0.01117 -0.60931 -0.25100 41 8D+1 0.29927 0.19629 0.20536 0.07464 0.27435 42 8D-1 -0.29333 -0.27928 -0.12471 0.03561 -0.10260 43 8D+2 0.19815 0.15614 -0.00091 -0.20518 -0.33685 44 8D-2 -0.36324 -0.17617 -0.15283 0.25063 -0.11114 45 3 Cu 1S -0.07708 0.02307 0.02499 0.00076 -0.00382 46 2S -0.13114 0.04634 0.03998 0.06948 0.12554 47 3S 1.68908 -0.47622 -0.38606 0.83975 1.70838 48 4PX -0.00861 -0.00885 0.00405 -0.01353 -0.00952 49 4PY 0.00573 0.00202 0.00744 0.00149 0.01990 50 4PZ 0.00436 -0.00963 -0.02188 -0.00478 -0.00612 51 5PX 0.23650 -0.11233 -0.08807 -0.81588 1.33456 52 5PY -0.28185 0.04913 0.13199 -1.06879 0.00717 53 5PZ -0.18168 0.10433 0.04311 -0.66534 -0.58608 54 6PX 0.19610 -0.08683 -0.05578 -0.51411 0.44002 55 6PY -0.20801 0.08712 0.11068 -0.39963 0.16005 56 6PZ -0.08425 0.01941 0.01090 -0.58843 -0.77938 57 7D 0 0.21449 -0.13707 -0.05996 -0.00712 0.02284 58 7D+1 -0.00276 -0.04943 -0.06137 0.04811 0.04299 59 7D-1 -0.17133 0.09719 0.09362 -0.09053 -0.06670 60 7D+2 -0.04538 0.00389 0.03587 0.19953 -0.16784 61 7D-2 -0.04708 0.10739 0.00953 -0.06181 0.04405 62 8D 0 -0.46360 0.29608 0.15822 0.02565 -0.03015 63 8D+1 -0.01661 0.08697 0.11948 -0.18160 -0.11784 64 8D-1 0.35901 -0.22034 -0.18367 0.23042 0.21716 65 8D+2 0.09166 -0.01621 -0.06462 -0.57159 0.46942 66 8D-2 0.10175 -0.20142 -0.01315 0.15909 -0.16019 67 4 Cu 1S 0.00085 0.02458 0.01138 0.03484 -0.00140 68 2S 0.00044 0.10702 0.15649 0.08199 -0.00238 69 3S -0.04015 -0.19598 0.85685 -0.25374 0.02686 70 4PX -0.00615 -0.00230 0.00915 -0.01393 0.02515 71 4PY 0.00093 -0.01543 0.00054 -0.02801 -0.00281 72 4PZ 0.00399 -0.00049 0.01298 -0.01640 -0.01671 73 5PX 0.26666 -0.12383 -0.39958 -0.45214 0.86826 74 5PY -0.03381 0.70321 0.51396 -0.34353 -0.11274 75 5PZ -0.18693 -0.32348 -0.67888 -0.62847 -0.55608 76 6PX 0.15541 0.13516 -0.04151 -0.11631 0.25381 77 6PY -0.02053 0.14822 0.08390 -0.34799 -0.02386 78 6PZ -0.09526 0.16034 -0.08657 -0.10796 -0.17490 79 7D 0 0.06732 -0.04376 -0.04321 -0.07706 -0.13702 80 7D+1 -0.02249 0.05486 -0.19037 0.00360 0.06069 81 7D-1 0.03383 0.09570 0.10285 -0.02366 0.01147 82 7D+2 -0.05114 -0.07433 0.08598 -0.12565 0.07614 83 7D-2 -0.02893 0.10201 0.02772 0.02112 -0.05144 84 8D 0 -0.13906 0.09299 0.09407 0.23364 0.42102 85 8D+1 0.04489 -0.13587 0.40556 -0.02172 -0.18415 86 8D-1 -0.07307 -0.15720 -0.18946 0.07056 -0.01894 87 8D+2 0.10825 0.18561 -0.16894 0.38661 -0.24064 88 8D-2 0.06702 -0.19491 -0.04290 -0.06902 0.13541 89 5 Cu 1S -0.02082 -0.00377 -0.03254 0.11427 0.17229 90 2S -0.03394 -0.02267 -0.05587 0.14459 0.19092 91 3S 0.41710 -0.10160 0.11266 -2.09899 -3.74033 92 4PX 0.01077 0.00916 -0.00870 -0.01095 -0.02334 93 4PY 0.00113 0.01369 -0.00627 0.01387 0.02237 94 4PZ 0.00745 0.00429 0.01453 0.01667 0.02878 95 5PX -0.10098 0.01916 0.03589 0.22341 0.96621 96 5PY 0.13526 -0.20087 0.10332 -0.81015 -0.94817 97 5PZ -0.08226 -0.03671 -0.23575 -0.40945 -0.66029 98 6PX -0.09500 0.01810 -0.02949 0.37112 0.06801 99 6PY 0.10387 -0.04926 -0.03380 0.04635 -0.42997 100 6PZ 0.10002 0.02124 0.06324 0.09375 -0.05644 101 7D 0 0.02481 0.04694 0.00716 -0.00679 -0.03101 102 7D+1 0.06906 0.11871 -0.19837 -0.05810 -0.11447 103 7D-1 0.12889 0.17058 0.09563 0.11679 0.12855 104 7D+2 0.03804 -0.05983 0.07254 -0.09156 0.00042 105 7D-2 0.14439 -0.05864 0.09792 -0.08409 -0.16165 106 8D 0 -0.04838 -0.09837 -0.01924 0.03164 0.09561 107 8D+1 -0.15038 -0.24455 0.42667 0.15025 0.27994 108 8D-1 -0.25919 -0.37021 -0.20923 -0.29387 -0.32504 109 8D+2 -0.10792 0.09673 -0.14673 0.26620 -0.00656 110 8D-2 -0.30489 0.13891 -0.23119 0.21072 0.43471 111 6 Cu 1S -0.00172 -0.04564 0.00104 0.01721 -0.00136 112 2S -0.00195 -0.08048 -0.03987 -0.10658 0.00392 113 3S 0.04122 0.91096 -0.44701 -2.04601 0.09757 114 4PX -0.00442 -0.00187 0.00048 0.01260 0.00822 115 4PY 0.00032 0.00504 0.02016 -0.01146 -0.00094 116 4PZ 0.00260 -0.00410 -0.00354 0.01946 -0.00712 117 5PX 0.02985 0.06784 -0.13296 -0.55050 1.28406 118 5PY -0.00295 0.08187 -0.06868 -0.80771 -0.15886 119 5PZ -0.00700 0.07794 -0.16759 -0.71397 -0.85146 120 6PX 0.02990 0.07866 -0.06430 -0.14597 0.73163 121 6PY -0.00462 0.01416 0.06668 -0.92324 -0.07362 122 6PZ -0.01273 0.10270 -0.09935 -0.08616 -0.50046 123 7D 0 0.04955 -0.04339 0.04209 0.00217 0.20537 124 7D+1 -0.02861 0.10233 -0.11596 -0.01178 -0.08280 125 7D-1 -0.04947 -0.05542 0.13256 0.10286 0.02938 126 7D+2 -0.01094 -0.15509 0.18928 0.02291 -0.12288 127 7D-2 0.07908 0.01932 0.02526 0.06291 0.00428 128 8D 0 -0.09584 0.08570 -0.11163 0.00005 -0.59050 129 8D+1 0.05238 -0.22515 0.23570 0.00024 0.24466 130 8D-1 0.07775 0.13158 -0.27251 -0.30954 -0.05008 131 8D+2 0.03049 0.32859 -0.42973 -0.03831 0.33794 132 8D-2 -0.12841 -0.03238 -0.03923 -0.20649 -0.05798 133 7 Cu 1S 0.02234 -0.00500 -0.03162 0.09938 -0.18354 134 2S 0.03628 -0.02435 -0.05506 0.12683 -0.20698 135 3S -0.43231 -0.08616 0.09504 -1.77614 3.87493 136 4PX -0.00369 0.00398 0.01513 0.01842 -0.03984 137 4PY -0.00159 0.01455 -0.00984 0.00801 -0.01389 138 4PZ -0.01231 0.00855 -0.00229 -0.00510 0.01525 139 5PX 0.01678 -0.07963 -0.21324 -0.52164 1.14960 140 5PY -0.13291 -0.18198 0.13723 -0.62223 0.68229 141 5PZ 0.15095 0.02680 -0.05774 0.11455 -0.81002 142 6PX -0.14418 0.00533 0.06066 -0.01019 0.15531 143 6PY -0.07228 -0.04559 -0.05139 0.13699 0.38799 144 6PZ 0.06946 0.03048 0.00341 0.35750 -0.13519 145 7D 0 -0.01283 0.00654 -0.09069 -0.08390 0.03481 146 7D+1 -0.07820 0.10967 -0.14936 -0.03672 0.15097 147 7D-1 -0.18356 -0.01702 0.15093 -0.04975 0.09069 148 7D+2 -0.02077 0.04492 0.09835 0.01910 -0.09289 149 7D-2 -0.06741 0.20003 -0.00899 0.12276 -0.14543 150 8D 0 0.05111 -0.03561 0.20814 0.23621 -0.06971 151 8D+1 0.16096 -0.21470 0.31251 0.09327 -0.39185 152 8D-1 0.39209 0.03520 -0.34008 0.13296 -0.24989 153 8D+2 0.04809 -0.11719 -0.20545 -0.02278 0.22810 154 8D-2 0.12577 -0.42590 0.01984 -0.31872 0.37969 155 8 C 1S 0.00000 0.00560 0.01550 -0.01021 0.00073 156 2S -0.01059 -0.37613 -0.37819 -0.14501 0.00956 157 3S 0.02363 0.91337 0.80623 0.27535 -0.02389 158 4PX 0.01595 0.00686 0.05273 -0.02032 0.00026 159 4PY -0.00038 -0.08038 -0.22588 0.08138 -0.00594 160 4PZ -0.01261 0.02989 0.13071 -0.04679 0.00582 161 5PX -0.16345 -0.12922 -0.10793 -0.14761 0.18954 162 5PY 0.02777 0.11601 0.25353 -0.04348 -0.03322 163 5PZ 0.10993 -0.21761 -0.20726 -0.22994 -0.12076 164 9 O 1S 0.00016 0.00349 0.00110 0.00921 -0.00047 165 2S -0.00286 -0.03335 0.02476 -0.15523 0.00854 166 3S 0.00177 -0.06308 -0.15208 0.20837 -0.01157 167 4PX -0.02765 0.00349 -0.01245 -0.02709 0.03802 168 4PY 0.00647 0.00426 -0.04245 -0.04045 -0.00641 169 4PZ 0.01971 0.00307 -0.00600 -0.03777 -0.02648 170 5PX 0.08290 0.02247 0.05404 0.08046 -0.12577 171 5PY -0.01448 -0.04285 -0.08358 0.20857 0.01391 172 5PZ -0.05950 0.04571 0.09328 0.08862 0.08788 156 157 158 159 160 V V V V V EIGENVALUES -- 1.21769 1.24945 1.28574 1.29067 1.29414 1 1 Cu 1S 0.04548 0.00215 -0.00023 0.01627 -0.00099 2 2S 0.06882 0.00303 0.00071 -0.01924 -0.00787 3 3S -0.16998 -0.01671 0.01456 -0.67206 -0.06981 4 4PX -0.00285 0.00372 -0.01783 -0.00533 -0.01327 5 4PY 0.01172 -0.00080 0.00334 -0.01497 0.00073 6 4PZ -0.00660 -0.00285 0.01263 -0.00528 0.00781 7 5PX 0.06008 0.18725 0.23397 -0.06020 0.71354 8 5PY -0.10763 -0.01835 -0.05872 0.75403 -0.03950 9 5PZ 0.12727 -0.13037 -0.15478 -0.14914 -0.50409 10 6PX 0.00896 -0.07973 -0.13082 0.21809 -0.65290 11 6PY 0.04109 0.00848 0.03352 -0.42567 0.06487 12 6PZ -0.00650 0.06258 0.07620 0.30245 0.49331 13 7D 0 0.05239 -0.02440 -0.11759 -0.10135 -0.21807 14 7D+1 -0.01432 0.00714 0.05031 -0.02199 0.08055 15 7D-1 0.00698 -0.01726 -0.02748 0.01860 -0.07079 16 7D+2 0.09293 0.01886 0.08132 -0.17981 0.12801 17 7D-2 -0.02694 0.01979 0.00392 0.05784 0.05232 18 8D 0 -0.13076 0.08207 0.30847 0.29079 0.64357 19 8D+1 0.02055 -0.02507 -0.13280 0.08021 -0.23641 20 8D-1 -0.01584 0.05606 0.07489 -0.05741 0.20512 21 8D+2 -0.21868 -0.06280 -0.21557 0.50805 -0.37680 22 8D-2 0.06350 -0.06217 -0.01335 -0.16421 -0.14813 23 2 Cu 1S 0.00372 -0.03402 0.03831 0.00629 0.03782 24 2S -0.01606 -0.09514 0.09834 0.00930 0.11275 25 3S -0.54501 -0.57243 0.22947 -0.08819 0.42624 26 4PX 0.00195 0.00654 -0.00045 -0.01275 0.03205 27 4PY -0.01226 -0.02347 0.00268 0.02282 0.02189 28 4PZ 0.01561 0.02110 -0.01747 0.01729 0.01476 29 5PX 0.06581 -0.01242 0.00648 0.52768 -1.02585 30 5PY 0.43334 0.27272 -0.26187 -0.35172 -0.48118 31 5PZ -0.12239 -0.56505 0.21579 -0.19847 -0.31625 32 6PX 0.16923 0.20273 -0.12542 -0.24979 0.55671 33 6PY 0.03399 -0.01056 0.14546 0.44072 0.47550 34 6PZ 0.05941 0.20841 -0.03087 0.30470 0.60532 35 7D 0 -0.01070 0.12335 0.00679 0.04184 0.19567 36 7D+1 -0.07575 0.04661 0.19350 0.01487 0.12389 37 7D-1 -0.09286 -0.22724 0.09531 0.01539 0.09780 38 7D+2 -0.08327 -0.08440 0.06401 0.15442 -0.11238 39 7D-2 -0.00826 0.12811 0.15461 0.11319 -0.09455 40 8D 0 0.03990 -0.33098 -0.03281 -0.11909 -0.55795 41 8D+1 0.19147 -0.12066 -0.52210 -0.07001 -0.36093 42 8D-1 0.23445 0.58602 -0.26080 -0.02978 -0.28575 43 8D+2 0.21688 0.20563 -0.18350 -0.44277 0.32165 44 8D-2 0.01771 -0.33371 -0.42271 -0.35095 0.24631 45 3 Cu 1S 0.00386 0.03690 -0.04165 0.01139 -0.03574 46 2S -0.01588 0.10057 -0.10643 0.02364 -0.10881 47 3S -0.57053 0.55369 -0.23286 -0.06312 -0.45399 48 4PX 0.01198 -0.01216 0.01393 0.02633 -0.00334 49 4PY -0.01439 0.02449 -0.00683 0.01978 -0.02244 50 4PZ 0.00969 -0.01641 0.00748 -0.00251 -0.03260 51 5PX -0.06576 0.45448 -0.11850 -0.42036 -0.00915 52 5PY 0.45342 -0.33281 0.31246 -0.25732 0.60009 53 5PZ -0.06080 0.24797 -0.15201 0.29079 1.05494 54 6PX 0.02493 -0.11897 -0.06884 0.48010 -0.39067 55 6PY 0.07297 0.01271 -0.14602 0.37509 -0.42656 56 6PZ 0.18146 -0.25432 0.16565 -0.05904 -0.67275 57 7D 0 -0.09304 0.08259 -0.11712 0.05862 0.06998 58 7D+1 -0.02710 -0.17051 -0.16314 0.04478 -0.19992 59 7D-1 -0.06108 0.01156 -0.18843 0.11685 0.12771 60 7D+2 -0.05707 0.07059 0.01731 0.08828 -0.09904 61 7D-2 -0.07981 0.22794 -0.06605 -0.04979 -0.13853 62 8D 0 0.23661 -0.20853 0.31951 -0.18071 -0.20463 63 8D+1 0.07295 0.44445 0.44907 -0.15659 0.57608 64 8D-1 0.15274 -0.02445 0.52053 -0.35768 -0.34638 65 8D+2 0.15622 -0.16747 -0.03219 -0.23111 0.27908 66 8D-2 0.19699 -0.59345 0.17195 0.15389 0.39826 67 4 Cu 1S -0.03937 -0.00284 0.00147 -0.03229 -0.00149 68 2S -0.07982 -0.00628 0.00443 -0.10234 -0.00491 69 3S 0.47303 0.02650 -0.00314 -0.01840 -0.01031 70 4PX -0.00889 -0.00675 0.01072 -0.02627 0.01473 71 4PY 0.00953 0.00134 -0.00078 -0.03217 -0.00590 72 4PZ -0.01473 0.00301 -0.00585 -0.02855 -0.01418 73 5PX 0.06825 0.21442 -0.34982 0.70609 -0.52943 74 5PY 0.25117 -0.01315 0.02800 0.91361 0.18476 75 5PZ 0.02963 -0.13842 0.21033 0.74716 0.48057 76 6PX -0.09206 -0.21735 0.22523 -0.33333 0.37245 77 6PY -0.11194 0.02466 -0.01449 -0.51855 -0.10532 78 6PZ -0.10913 0.14222 -0.13913 -0.30110 -0.30530 79 7D 0 0.12763 -0.06747 0.06545 0.12137 0.10560 80 7D+1 0.27529 0.06238 -0.03891 0.05262 -0.03692 81 7D-1 0.05605 0.15867 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-0.00099 0.00640 -0.01604 -0.00570 7 5PX 0.38396 -0.10847 -0.09992 0.10211 0.56658 8 5PY -0.08766 0.75597 -0.03908 0.00992 0.42248 9 5PZ -0.24104 -0.31709 0.10014 0.16036 0.72041 10 6PX -0.43352 0.04356 0.13543 -0.05645 -0.18220 11 6PY 0.08728 -0.48998 0.01122 -0.07504 0.00330 12 6PZ 0.29186 0.16865 -0.10761 -0.07882 -0.27938 13 7D 0 -0.06375 -0.13310 -0.00555 0.06986 0.00861 14 7D+1 0.03017 -0.02552 0.00901 0.05029 0.05080 15 7D-1 -0.01732 0.03687 -0.00126 0.00027 0.06763 16 7D+2 0.05303 -0.18765 0.02135 0.07330 -0.00077 17 7D-2 0.00178 0.08146 -0.01150 -0.01862 0.05466 18 8D 0 0.23637 0.39250 -0.00707 -0.17078 -0.04715 19 8D+1 -0.10873 0.07922 -0.01800 -0.12590 -0.17166 20 8D-1 0.05981 -0.09200 -0.00803 -0.00871 -0.21414 21 8D+2 -0.18526 0.55519 -0.04616 -0.17556 -0.02250 22 8D-2 -0.00564 -0.22750 0.04144 0.03888 -0.16616 23 2 Cu 1S -0.02811 0.00404 0.00201 -0.03023 -0.03265 24 2S -0.07244 0.00656 -0.01251 -0.08026 0.03862 25 3S -0.07045 -0.05371 -0.24162 -0.55222 0.97062 26 4PX -0.00790 0.01157 0.00992 -0.01298 0.01693 27 4PY 0.01844 0.00750 -0.01947 0.00485 0.01266 28 4PZ 0.01761 0.00537 -0.01721 0.01265 -0.02393 29 5PX 0.03467 -0.50553 -0.53116 0.21654 0.07387 30 5PY -0.82093 -0.22113 0.88943 0.21209 -0.33766 31 5PZ -0.97663 -0.51624 0.35185 -0.45773 0.77706 32 6PX -0.00972 0.41760 0.53068 -0.06659 -0.32551 33 6PY 1.01435 0.12929 -0.86864 0.04576 -0.37715 34 6PZ 1.08587 0.40993 -0.46606 0.29702 -0.00018 35 7D 0 0.16767 0.09652 -0.03289 0.04522 -0.06654 36 7D+1 -0.10999 -0.00708 0.10173 -0.05375 -0.00667 37 7D-1 0.00146 0.02070 -0.01573 -0.19748 -0.05648 38 7D+2 0.09894 -0.09038 -0.19411 0.02523 0.03757 39 7D-2 -0.07158 -0.07415 0.03541 0.06145 -0.00737 40 8D 0 -0.48857 -0.28857 0.09073 -0.13135 0.21982 41 8D+1 0.33336 0.03676 -0.30337 0.13610 0.02861 42 8D-1 0.00758 -0.04303 0.06722 0.59291 0.17094 43 8D+2 -0.27664 0.26542 0.56610 -0.07293 -0.12855 44 8D-2 0.23612 0.23561 -0.10532 -0.18000 0.01502 45 3 Cu 1S 0.03008 0.00422 -0.00070 -0.03079 -0.03477 46 2S 0.07810 0.00906 0.01758 -0.08081 0.03409 47 3S 0.07846 -0.02405 0.25864 -0.51862 0.96983 48 4PX -0.02352 0.00471 0.02237 0.01674 -0.02517 49 4PY -0.01456 0.00963 0.01374 0.00118 0.01898 50 4PZ 0.00329 0.01088 -0.00777 -0.00782 0.00551 51 5PX 1.12669 -0.39028 -0.62317 -0.43716 0.62235 52 5PY 0.67631 -0.29916 -0.67960 0.29095 -0.42049 53 5PZ 0.23145 -0.52446 0.58125 -0.00473 0.38003 54 6PX -1.23968 0.30576 0.74239 0.31027 0.02564 55 6PY -0.84553 0.19964 0.64616 -0.00044 -0.43735 56 6PZ -0.25724 0.42365 -0.52063 0.03982 -0.22377 57 7D 0 0.03197 -0.06998 0.09279 -0.02265 0.04983 58 7D+1 0.02524 0.04214 -0.12536 0.00796 -0.05013 59 7D-1 0.03987 -0.08189 0.05579 -0.01016 -0.00907 60 7D+2 -0.22513 0.06242 0.15238 -0.01666 -0.04404 61 7D-2 0.06717 0.03376 -0.06486 -0.20945 -0.04078 62 8D 0 -0.10183 0.21078 -0.26777 0.05362 -0.16071 63 8D+1 -0.08596 -0.11109 0.37309 -0.04037 0.17014 64 8D-1 -0.14928 0.25907 -0.17237 0.03584 0.01459 65 8D+2 0.65757 -0.19101 -0.44804 0.06079 0.13910 66 8D-2 -0.19944 -0.08693 0.16916 0.61983 0.12734 67 4 Cu 1S 0.00017 -0.00837 0.00044 0.04749 0.34306 68 2S 0.00052 -0.02130 0.00121 0.19480 0.78187 69 3S 0.00367 -0.07864 0.00520 -0.02782 -1.24908 70 4PX -0.01839 -0.02882 -0.04634 0.00798 0.01757 71 4PY 0.00498 -0.04535 0.01056 -0.04275 -0.02047 72 4PZ 0.01508 -0.02198 0.03608 0.02075 0.02935 73 5PX 0.48862 0.76971 1.39208 -0.13731 0.02801 74 5PY -0.13153 1.23730 -0.31077 1.31040 -0.70856 75 5PZ -0.39376 0.55641 -1.06512 -0.50191 0.22591 76 6PX -0.47995 -0.37821 -0.95025 -0.06749 -0.04166 77 6PY 0.10110 -0.56895 0.17632 -0.26442 -0.29903 78 6PZ 0.36046 -0.19896 0.69312 -0.02209 0.01815 79 7D 0 -0.09157 0.10561 -0.26710 0.00286 0.03157 80 7D+1 0.03483 -0.01518 0.10563 -0.09253 0.04325 81 7D-1 -0.01894 -0.04827 -0.04803 0.28321 -0.05577 82 7D+2 0.04516 0.22847 0.14099 0.15690 0.00697 83 7D-2 0.01010 -0.10013 0.01036 0.14000 -0.03833 84 8D 0 0.26210 -0.29937 0.77395 -0.01626 -0.10279 85 8D+1 -0.09986 0.04383 -0.30590 0.25536 -0.12712 86 8D-1 0.05240 0.14200 0.14089 -0.79702 0.14590 87 8D+2 -0.12917 -0.65009 -0.41069 -0.45291 -0.04288 88 8D-2 -0.02647 0.28764 -0.03288 -0.39019 0.10822 89 5 Cu 1S 0.00271 -0.02503 -0.02130 -0.10491 -0.40532 90 2S 0.01448 -0.05517 -0.07348 -0.20283 -0.83280 91 3S 0.19404 -0.04520 -0.18954 0.38851 -0.60342 92 4PX -0.00427 -0.01047 -0.00017 0.00286 -0.00441 93 4PY -0.00671 -0.00377 0.00576 0.00969 0.00939 94 4PZ -0.00039 -0.00032 0.00673 -0.01991 0.00792 95 5PX -0.70458 0.35143 0.02206 -0.02505 0.35221 96 5PY -0.14580 -0.08486 0.37712 -0.31781 -0.39064 97 5PZ -0.37475 0.29925 -0.78433 0.37436 -0.42718 98 6PX 0.67598 -0.23830 -0.04842 -0.02489 0.01764 99 6PY 0.28967 -0.05849 -0.39835 0.22723 0.21813 100 6PZ 0.39577 -0.25382 0.64113 -0.18633 0.10852 101 7D 0 0.10530 -0.09294 0.20977 -0.14522 0.02950 102 7D+1 -0.02316 0.01887 -0.08246 0.05799 -0.04940 103 7D-1 0.04049 -0.02917 0.05451 -0.01569 0.05020 104 7D+2 -0.13493 0.10390 0.05138 -0.08528 -0.00508 105 7D-2 0.07746 -0.05692 0.01007 -0.03647 -0.00937 106 8D 0 -0.31284 0.27892 -0.64169 0.41373 -0.08348 107 8D+1 0.07491 -0.06721 0.23790 -0.15831 0.14489 108 8D-1 -0.12910 0.07623 -0.15418 0.03377 -0.14420 109 8D+2 0.45384 -0.29429 -0.17852 0.23902 0.01467 110 8D-2 -0.25286 0.16573 -0.03109 0.09576 0.03765 111 6 Cu 1S -0.00386 0.06295 -0.00427 -0.05685 -0.20478 112 2S -0.01060 0.18050 -0.01233 -0.11227 -0.33074 113 3S -0.01372 0.26578 -0.02275 0.28559 1.22173 114 4PX 0.03740 0.00106 0.00867 -0.00116 -0.01566 115 4PY -0.00601 0.02169 -0.00309 0.00517 -0.00373 116 4PZ -0.02576 -0.00793 -0.00566 -0.00362 -0.02093 117 5PX -1.58632 -0.04866 -0.18714 -0.01157 0.27016 118 5PY 0.27440 -1.11406 0.11000 0.07663 -0.17062 119 5PZ 1.09740 0.32743 0.11044 -0.02808 0.41282 120 6PX 1.60815 0.14427 0.21869 0.10182 0.29557 121 6PY -0.27034 0.83061 -0.09702 0.13913 -0.13385 122 6PZ -1.12697 -0.14012 -0.15174 0.10254 0.48211 123 7D 0 -0.27363 -0.09381 -0.00285 0.01574 -0.01253 124 7D+1 0.11612 0.06940 0.00257 0.06949 0.00993 125 7D-1 -0.02105 0.16482 0.00997 -0.02167 0.00930 126 7D+2 0.15690 -0.12186 0.00468 -0.02465 -0.02658 127 7D-2 -0.05296 0.16220 -0.04529 -0.00123 0.01616 128 8D 0 0.79935 0.27175 0.01136 -0.04766 0.03640 129 8D+1 -0.33775 -0.20098 -0.00859 -0.20407 -0.03897 130 8D-1 0.07213 -0.48720 -0.02659 0.07244 -0.03130 131 8D+2 -0.46227 0.34944 -0.01569 0.07406 0.08314 132 8D-2 0.14147 -0.47594 0.13021 0.01049 -0.05267 133 7 Cu 1S -0.00136 -0.02200 0.02065 -0.10631 -0.39227 134 2S -0.01114 -0.04570 0.07061 -0.20504 -0.80619 135 3S -0.18557 -0.03515 0.18134 0.39389 -0.69000 136 4PX 0.00017 0.00130 -0.00724 -0.01697 0.01081 137 4PY 0.00742 -0.00577 -0.00340 0.01218 0.00742 138 4PZ 0.00355 -0.00895 -0.00010 -0.00548 -0.00317 139 5PX 0.13649 0.25528 0.62235 0.29323 -0.59651 140 5PY 0.24830 -0.11070 -0.48250 -0.36023 -0.25036 141 5PZ 0.72923 0.53571 0.23878 0.15830 0.23358 142 6PX -0.19168 -0.26860 -0.50289 -0.12370 0.13948 143 6PY -0.36529 -0.01602 0.50435 0.24073 0.18858 144 6PZ -0.70127 -0.38877 -0.18508 -0.12910 0.02832 145 7D 0 0.15736 0.15282 0.05995 0.02800 -0.04291 146 7D+1 -0.08709 -0.08781 -0.02906 -0.02310 -0.02490 147 7D-1 -0.02894 -0.02646 -0.02994 -0.05671 0.01000 148 7D+2 -0.00561 -0.05029 -0.21086 -0.15418 0.05221 149 7D-2 -0.02158 -0.00751 0.03811 0.06254 0.03032 150 8D 0 -0.51554 -0.45048 -0.16192 -0.07714 0.12248 151 8D+1 0.27337 0.25284 0.09702 0.07134 0.07602 152 8D-1 0.09188 0.07849 0.09372 0.14892 -0.01959 153 8D+2 -0.01060 0.16024 0.64669 0.43544 -0.15312 154 8D-2 0.07853 0.00590 -0.12661 -0.18320 -0.08880 155 8 C 1S 0.00005 -0.00130 0.00007 0.01784 -0.02375 156 2S 0.00308 -0.06874 0.00585 -0.40620 0.20486 157 3S -0.00728 0.23167 -0.01314 0.85617 -1.98558 158 4PX -0.00585 0.02145 0.01046 0.09368 -0.07143 159 4PY -0.00231 0.06579 -0.00821 -0.31285 0.35516 160 4PZ 0.00284 0.01600 -0.01040 0.20769 -0.18842 161 5PX -0.03239 -0.15099 -0.14882 -0.02456 0.22916 162 5PY 0.01302 -0.16702 0.03925 0.03784 0.26443 163 5PZ 0.03482 -0.15728 0.12754 -0.04760 0.24534 164 9 O 1S 0.00002 -0.00216 0.00004 0.00577 0.05169 165 2S 0.00061 0.01745 0.00082 0.00668 -1.15365 166 3S -0.00048 -0.04925 -0.00046 -0.26588 2.17096 167 4PX 0.00280 -0.00840 -0.01275 0.01367 0.03278 168 4PY -0.00084 0.00670 0.00131 -0.06761 0.01995 169 4PZ -0.00099 -0.01277 0.01050 0.03686 0.03843 170 5PX -0.00063 0.02484 0.04427 -0.02579 -0.21561 171 5PY -0.00238 0.04613 -0.01163 -0.09186 0.62527 172 5PZ -0.00149 0.02082 -0.03455 -0.01257 -0.45140 166 167 168 169 170 V V V V V EIGENVALUES -- 1.68197 1.80325 1.84191 2.21381 2.24513 1 1 Cu 1S -0.38686 -0.00204 0.40896 -0.01307 0.31584 2 2S -0.80050 -0.00446 0.89070 -0.02869 0.67176 3 3S -0.25388 0.01409 0.28409 0.09167 -1.21855 4 4PX -0.00866 -0.00891 0.01574 0.00564 0.00730 5 4PY -0.00387 0.00125 0.01389 -0.00082 0.00381 6 4PZ -0.01110 0.00611 0.01949 -0.00491 0.00882 7 5PX 0.40840 0.27284 -0.57840 0.06161 -0.34979 8 5PY 0.35661 -0.03726 -0.65500 -0.00245 -0.16956 9 5PZ 0.50052 -0.19095 -0.69867 -0.01251 -0.48102 10 6PX -0.12270 0.10953 0.25113 0.30728 0.12282 11 6PY 0.04031 -0.02028 0.24064 -0.04782 -0.19527 12 6PZ -0.18267 -0.08039 0.31769 -0.23519 0.18142 13 7D 0 0.03764 -0.08549 -0.02214 -0.04925 -0.04802 14 7D+1 0.04184 0.03128 -0.05872 0.02577 -0.04496 15 7D-1 0.04793 -0.04005 -0.06133 0.00248 -0.01860 16 7D+2 0.05234 0.06140 -0.01214 0.02940 -0.04539 17 7D-2 0.02379 0.03391 -0.04550 -0.01552 -0.00421 18 8D 0 -0.12004 0.25954 0.07032 0.17588 0.17131 19 8D+1 -0.13787 -0.09360 0.19967 -0.09085 0.16144 20 8D-1 -0.16155 0.12986 0.20253 -0.00525 0.08045 21 8D+2 -0.16481 -0.18956 0.03071 -0.10633 0.16489 22 8D-2 -0.08301 -0.11439 0.15358 0.04866 0.02345 23 2 Cu 1S 0.28216 -0.88197 -0.50462 -0.54849 -0.73035 24 2S 0.64720 -1.85524 -1.05994 -1.05620 -1.35603 25 3S -0.35121 1.36035 0.63073 1.05328 1.10967 26 4PX 0.00425 -0.01561 -0.01204 -0.00306 0.02158 27 4PY 0.01039 -0.01586 -0.01085 0.02528 0.02637 28 4PZ -0.01426 0.01276 0.00579 0.00773 -0.00077 29 5PX 0.08382 0.48776 0.43313 0.43533 -0.14074 30 5PY -0.32555 0.83712 0.21165 -0.21274 -0.35420 31 5PZ 0.22156 -0.40881 -0.50117 -0.41585 -0.28055 32 6PX -0.09578 -0.43626 -0.37593 -1.32933 -0.04380 33 6PY -0.01984 -0.52356 -0.13934 1.22413 -0.07011 34 6PZ -0.12330 0.10505 0.10044 0.22303 0.81625 35 7D 0 -0.03265 -0.02649 0.01981 0.02900 0.06462 36 7D+1 -0.00161 -0.06205 0.01433 -0.02029 0.00909 37 7D-1 -0.01952 0.04036 0.01656 -0.00278 -0.01754 38 7D+2 0.07537 -0.02905 0.02500 0.06366 -0.02024 39 7D-2 0.00358 0.02704 0.08568 0.01109 -0.01733 40 8D 0 0.10280 0.08828 -0.07553 -0.10191 -0.23085 41 8D+1 0.01602 0.20374 -0.05792 0.07707 -0.03066 42 8D-1 0.09006 -0.15546 -0.06566 0.00469 0.03877 43 8D+2 -0.25126 0.11502 -0.07946 -0.22442 0.06977 44 8D-2 -0.01472 -0.08452 -0.29494 -0.04695 0.05339 45 3 Cu 1S 0.30555 0.88794 -0.48672 0.63880 -0.65010 46 2S 0.69524 1.86478 -1.02295 1.22273 -1.19877 47 3S -0.41972 -1.38851 0.59149 -1.23845 1.03638 48 4PX -0.01280 -0.01343 0.00652 -0.01210 -0.00443 49 4PY 0.01320 0.01983 -0.01387 -0.02630 0.02787 50 4PZ -0.00236 0.00764 -0.00765 0.00169 0.01629 51 5PX 0.11311 0.36953 -0.53866 0.56934 -0.19640 52 5PY -0.34699 -0.95495 0.36095 0.10306 -0.34840 53 5PZ 0.19580 -0.20510 0.20452 -0.28336 -0.21605 54 6PX -0.09496 -0.14087 0.15354 -0.94790 0.64237 55 6PY -0.00663 0.61732 -0.23351 -0.83897 -0.30860 56 6PZ -0.11117 0.30129 -0.29817 1.29717 0.41830 57 7D 0 0.06492 0.05468 0.00084 -0.02095 -0.02595 58 7D+1 -0.03555 0.04933 0.03436 0.00828 0.04693 59 7D-1 0.02244 -0.03706 0.08683 -0.02456 -0.03747 60 7D+2 0.00605 0.00993 0.00366 -0.05593 0.02727 61 7D-2 -0.03241 -0.02610 -0.01613 0.03417 -0.01341 62 8D 0 -0.20996 -0.19359 -0.00033 0.06852 0.09474 63 8D+1 0.12117 -0.16015 -0.12978 -0.03241 -0.16655 64 8D-1 -0.06814 0.12087 -0.29902 0.09821 0.11807 65 8D+2 -0.01890 -0.03475 -0.01502 0.19871 -0.10429 66 8D-2 0.13516 0.11144 0.04663 -0.11682 0.03161 67 4 Cu 1S -0.15750 0.00219 0.08152 -0.03751 0.62685 68 2S -0.30486 0.00572 0.21618 -0.07108 1.17267 69 3S 2.45580 -0.00624 0.70163 0.10552 -2.06239 70 4PX 0.02234 0.01548 0.01684 -0.03764 0.02625 71 4PY -0.02330 -0.00237 0.01593 0.00781 -0.04392 72 4PZ 0.03580 -0.01182 0.02044 0.02229 0.05203 73 5PX -0.45672 -0.49247 -0.51403 0.58417 0.19878 74 5PY 0.34399 0.08974 -0.51642 -0.02843 -0.60448 75 5PZ -0.69065 0.34943 -0.61128 -0.46532 0.33765 76 6PX -0.04347 -0.24328 -0.19163 0.23340 -0.11842 77 6PY 0.63609 0.02768 -0.33711 -0.08707 0.72793 78 6PZ -0.22648 0.17534 -0.19052 -0.13649 -0.38001 79 7D 0 -0.02223 0.02852 -0.01121 -0.04623 -0.00686 80 7D+1 0.02243 -0.00758 0.02893 0.01578 0.01650 81 7D-1 -0.09921 0.03585 0.02510 -0.01898 -0.00586 82 7D+2 -0.08944 -0.02754 -0.03016 0.03419 -0.01740 83 7D-2 -0.04040 -0.03940 0.02925 0.01483 0.00463 84 8D 0 0.07119 -0.09848 0.02883 0.16028 0.02649 85 8D+1 -0.09062 0.02428 -0.12597 -0.05571 -0.04672 86 8D-1 0.35805 -0.13935 -0.10187 0.06927 -0.02593 87 8D+2 0.31282 0.10190 0.10080 -0.11700 0.04304 88 8D-2 0.14789 0.15757 -0.11318 -0.04904 -0.04149 89 5 Cu 1S -0.50428 0.50040 -0.35411 -1.02868 -0.43039 90 2S -1.06952 1.07126 -0.75202 -1.93363 -0.75264 91 3S -0.46768 -0.08806 -0.27748 3.37494 0.16423 92 4PX -0.01416 0.01316 -0.01787 0.02230 0.01138 93 4PY 0.01150 -0.02251 0.01138 -0.01687 -0.01810 94 4PZ 0.01097 -0.01050 0.00659 -0.02167 -0.00977 95 5PX 0.61833 -0.43175 0.71605 0.07475 0.08871 96 5PY -0.67029 0.92750 -0.31982 -0.21205 -0.00739 97 5PZ -0.55824 0.54440 -0.44403 -0.01533 0.00765 98 6PX -0.12749 0.18813 -0.04649 0.07556 -0.01714 99 6PY 0.00459 -0.38214 0.29069 0.60691 -0.21099 100 6PZ 0.03292 -0.15570 0.12296 -0.43524 -0.04391 101 7D 0 -0.04476 0.03752 -0.02253 0.00541 0.04493 102 7D+1 -0.04307 0.02380 -0.05307 0.01144 -0.02463 103 7D-1 0.05246 -0.07351 0.00900 0.00893 0.01044 104 7D+2 -0.00557 0.07523 0.08182 0.01710 0.00771 105 7D-2 -0.06047 0.05372 -0.06946 -0.01812 0.02600 106 8D 0 0.13985 -0.11749 0.06813 -0.00812 -0.14871 107 8D+1 0.14517 -0.07998 0.18163 -0.02936 0.08391 108 8D-1 -0.18290 0.24362 -0.02841 -0.04100 -0.03261 109 8D+2 0.02212 -0.24547 -0.25234 -0.05482 -0.02133 110 8D-2 0.19747 -0.18322 0.22475 0.08409 -0.07867 111 6 Cu 1S 0.26917 -0.00991 1.06976 0.05512 -0.94797 112 2S 0.59511 -0.02271 2.23573 0.09855 -1.72098 113 3S -0.23101 -0.01392 -1.47753 -0.19374 2.93127 114 4PX -0.00867 -0.00302 -0.01750 -0.03424 -0.03111 115 4PY 0.00498 0.00076 -0.00883 0.00615 -0.00654 116 4PZ -0.01293 0.00323 -0.02296 0.02808 -0.03831 117 5PX 0.10118 -0.16438 0.70573 0.58643 0.27599 118 5PY -0.40410 0.02042 0.29595 -0.08865 -0.17155 119 5PZ 0.22986 0.08530 0.95734 -0.46349 0.35924 120 6PX 0.02605 -0.14023 -0.38035 -1.47659 0.32890 121 6PY 0.12674 0.02839 -0.50966 0.20440 0.46983 122 6PZ 0.03097 0.09780 -0.44873 0.98222 0.55756 123 7D 0 -0.01246 -0.00649 -0.00510 0.09032 0.00637 124 7D+1 0.04991 0.01064 0.02249 -0.03873 0.00389 125 7D-1 0.04197 0.05501 -0.06860 0.00441 -0.02001 126 7D+2 -0.04178 -0.01912 -0.04323 -0.04804 -0.01099 127 7D-2 0.04658 -0.07659 -0.03309 0.02106 -0.01063 128 8D 0 0.03266 0.02655 0.01396 -0.31462 -0.01892 129 8D+1 -0.19331 -0.03827 -0.09893 0.13403 -0.00528 130 8D-1 -0.13413 -0.19094 0.23397 -0.01482 0.05323 131 8D+2 0.14387 0.06433 0.15564 0.16767 0.03321 132 8D-2 -0.15571 0.26732 0.10745 -0.07233 0.02831 133 7 Cu 1S -0.52111 -0.47934 -0.35818 1.07483 -0.30784 134 2S -1.10666 -1.02751 -0.76146 2.01403 -0.52471 135 3S -0.45042 0.11138 -0.28966 -3.31712 -0.27460 136 4PX 0.01763 0.01775 0.01434 0.03188 -0.01193 137 4PY 0.00731 0.01769 0.00716 0.01031 -0.01255 138 4PZ -0.01117 -0.01150 -0.01614 -0.01654 0.00761 139 5PX -0.87700 -0.79376 -0.71524 0.09515 -0.02813 140 5PY -0.46518 -0.72006 -0.11424 0.18494 0.01467 141 5PZ 0.48006 0.32142 0.56484 -0.10621 0.08569 142 6PX 0.08959 0.27625 0.19220 0.31512 -0.04009 143 6PY -0.01942 0.30754 0.25227 -0.63470 -0.28517 144 6PZ -0.10240 -0.17533 -0.05014 0.16020 0.02062 145 7D 0 -0.00701 -0.05021 0.05143 -0.01660 -0.03193 146 7D+1 -0.07339 -0.03287 -0.09126 -0.00343 0.00856 147 7D-1 -0.03108 -0.03956 -0.02629 0.00439 0.02661 148 7D+2 0.00904 -0.02080 0.05727 -0.02217 0.03721 149 7D-2 0.06606 0.09892 0.00027 -0.00736 -0.01515 150 8D 0 0.03128 0.16456 -0.15089 0.05638 0.10838 151 8D+1 0.23927 0.10800 0.29674 -0.00614 -0.02771 152 8D-1 0.09854 0.13461 0.08928 -0.03188 -0.08165 153 8D+2 -0.03815 0.06013 -0.18574 0.07787 -0.12245 154 8D-2 -0.22408 -0.32577 0.00015 0.04094 0.05058 155 8 C 1S 0.00719 -0.00012 -0.00305 -0.00071 0.00872 156 2S 0.22556 -0.00403 0.04597 -0.02948 0.30025 157 3S 1.54177 -0.02547 -0.60510 0.03308 0.29310 158 4PX -0.02790 -0.01353 -0.01870 0.05891 -0.01930 159 4PY -0.09855 0.00410 0.04551 -0.00734 -0.07415 160 4PZ -0.01239 0.01070 -0.03914 -0.03866 -0.01580 161 5PX 0.02230 0.20384 0.13043 -0.50571 0.47752 162 5PY -0.56523 -0.01753 0.39523 0.15238 -1.26025 163 5PZ 0.16881 -0.15476 0.09027 0.26568 1.04002 164 9 O 1S -0.05601 0.00099 0.01288 0.00094 -0.01980 165 2S 1.30249 -0.02554 -0.35898 -0.03999 0.82482 166 3S -2.41863 0.05052 0.76564 0.09173 -1.94430 167 4PX -0.01371 0.02746 0.01253 -0.06647 0.04748 168 4PY 0.04195 -0.00513 0.00805 0.01070 0.00023 169 4PZ -0.03004 -0.01966 0.01578 0.04130 0.07387 170 5PX 0.14101 -0.10728 -0.08508 0.24805 -0.11483 171 5PY -0.67403 0.02987 0.14425 -0.02134 -0.41283 172 5PZ 0.36734 0.06962 -0.15648 -0.16246 -0.08527 171 172 V V EIGENVALUES -- 2.36400 10.22224 1 1 Cu 1S -1.14221 -0.42823 2 2S -2.12174 -0.65377 3 3S 3.32183 -2.76635 4 4PX 0.02094 0.01023 5 4PY 0.02964 0.01249 6 4PZ 0.02340 0.01191 7 5PX 0.14731 0.32703 8 5PY 0.15490 0.86371 9 5PZ 0.18085 0.28438 10 6PX -0.23977 0.31887 11 6PY 0.48024 0.48903 12 6PZ -0.45553 0.33311 13 7D 0 -0.01464 0.00127 14 7D+1 0.00048 -0.00228 15 7D-1 0.00348 0.01750 16 7D+2 -0.02343 0.00917 17 7D-2 0.00952 0.00929 18 8D 0 0.04313 0.00282 19 8D+1 -0.02282 -0.00209 20 8D-1 -0.02815 -0.11224 21 8D+2 0.07858 -0.02894 22 8D-2 -0.04595 -0.07079 23 2 Cu 1S -0.56139 -1.08287 24 2S -1.07965 -1.71154 25 3S 0.38725 0.46890 26 4PX 0.00118 0.02229 27 4PY -0.02063 0.04798 28 4PZ -0.03397 -0.05347 29 5PX 0.30754 0.18904 30 5PY 0.87532 0.66766 31 5PZ 0.32160 -0.72071 32 6PX -0.70029 -0.02933 33 6PY -1.00470 0.01513 34 6PZ -1.40165 0.67108 35 7D 0 -0.07762 0.00183 36 7D+1 0.00748 0.00179 37 7D-1 -0.02319 -0.01674 38 7D+2 -0.04053 -0.00149 39 7D-2 0.02115 -0.00210 40 8D 0 0.27842 -0.02440 41 8D+1 -0.02240 0.02605 42 8D-1 0.08180 0.14262 43 8D+2 0.14689 0.02000 44 8D-2 -0.08595 -0.01997 45 3 Cu 1S -0.55792 -1.07230 46 2S -1.07303 -1.69642 47 3S 0.40898 0.42504 48 4PX -0.03583 -0.04659 49 4PY -0.01476 0.05781 50 4PZ -0.00791 -0.00491 51 5PX 0.36715 -0.59698 52 5PY 0.84904 0.78727 53 5PZ 0.27967 -0.16447 54 6PX -1.26473 0.63391 55 6PY -0.91079 -0.06322 56 6PZ -0.98985 0.19098 57 7D 0 -0.00293 0.00072 58 7D+1 -0.02090 0.00318 59 7D-1 0.00371 -0.00840 60 7D+2 -0.09015 -0.00473 61 7D-2 0.00377 -0.01411 62 8D 0 0.01621 0.03166 63 8D+1 0.07564 -0.01227 64 8D-1 -0.02269 0.03996 65 8D+2 0.32474 0.03576 66 8D-2 -0.01110 0.13792 67 4 Cu 1S 0.25190 -3.36939 68 2S 0.44390 -5.41636 69 3S -1.14707 12.36672 70 4PX -0.01194 0.03866 71 4PY -0.06362 -0.05238 72 4PZ -0.00246 0.06596 73 5PX 0.27953 -2.61819 74 5PY 1.32681 5.50791 75 5PZ 0.09417 -4.97535 76 6PX 0.35654 -0.70671 77 6PY 0.85862 -1.54805 78 6PZ 0.32671 -0.58555 79 7D 0 0.00867 0.00340 80 7D+1 -0.02214 0.02557 81 7D-1 -0.00530 -0.06817 82 7D+2 0.02825 -0.03355 83 7D-2 -0.01443 -0.03491 84 8D 0 -0.03140 -0.02869 85 8D+1 0.07300 -0.20066 86 8D-1 0.02740 0.50430 87 8D+2 -0.09466 0.25053 88 8D-2 0.05493 0.25660 89 5 Cu 1S 0.59561 -0.28213 90 2S 1.14840 -0.44116 91 3S -1.07964 -3.31965 92 4PX 0.00198 0.00642 93 4PY 0.00875 -0.01485 94 4PZ 0.00514 0.00807 95 5PX -0.23359 0.31674 96 5PY 0.28922 -0.28465 97 5PZ 0.25890 -0.78932 98 6PX 0.31690 0.27107 99 6PY -0.07974 0.30055 100 6PZ 0.49326 -1.03256 101 7D 0 0.01038 -0.00823 102 7D+1 0.02084 -0.00841 103 7D-1 0.00804 0.01379 104 7D+2 0.03943 0.00213 105 7D-2 -0.00588 -0.00133 106 8D 0 -0.04109 0.04163 107 8D+1 -0.07498 0.05986 108 8D-1 -0.02163 -0.09854 109 8D+2 -0.15109 -0.00838 110 8D-2 0.00969 0.02001 111 6 Cu 1S 0.42062 -0.85254 112 2S 0.81606 -1.36836 113 3S -0.78092 0.15528 114 4PX 0.00057 -0.03449 115 4PY -0.00976 0.00278 116 4PZ 0.00300 -0.04947 117 5PX 0.24945 -0.51857 118 5PY 0.65311 0.02802 119 5PZ 0.21974 -0.74439 120 6PX 0.05325 0.17291 121 6PY -1.54027 0.09362 122 6PZ 0.41816 0.20000 123 7D 0 0.01741 0.01150 124 7D+1 -0.01557 0.02092 125 7D-1 -0.04644 -0.00403 126 7D+2 0.02480 0.00379 127 7D-2 -0.04256 -0.00168 128 8D 0 -0.06395 -0.08795 129 8D+1 0.05396 -0.16167 130 8D-1 0.17964 0.01470 131 8D+2 -0.08645 -0.03315 132 8D-2 0.16094 0.00254 133 7 Cu 1S 0.60090 -0.27749 134 2S 1.15683 -0.43480 135 3S -1.12256 -3.30494 136 4PX 0.00668 0.00293 137 4PY 0.00810 -0.01435 138 4PZ 0.00248 0.01113 139 5PX 0.36352 -0.87513 140 5PY 0.18553 -0.09565 141 5PZ -0.16417 0.05724 142 6PX 0.33124 -0.98522 143 6PY -0.07997 0.49763 144 6PZ 0.48320 -0.17261 145 7D 0 0.03686 -0.00134 146 7D+1 0.00910 -0.01248 147 7D-1 0.00795 0.00550 148 7D+2 0.02448 0.00171 149 7D-2 0.00140 0.01142 150 8D 0 -0.13637 0.01736 151 8D+1 -0.03507 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-0.00105 0.00065 172 5PZ -0.00053 -0.00045 -0.00002 -0.00208 0.00037 31 32 33 34 35 O O O O O EIGENVALUES -- -1.17546 -0.57753 -0.47694 -0.47334 -0.45598 1 1 Cu 1S 0.00295 0.00161 0.00159 -0.00001 -0.00200 2 2S 0.00429 0.00687 -0.00864 -0.00005 0.01820 3 3S 0.02227 0.05698 -0.03959 0.00124 -0.00738 4 4PX -0.00002 0.00060 -0.00157 -0.00007 0.00199 5 4PY -0.00038 0.00138 -0.00283 0.00001 0.00474 6 4PZ 0.00005 0.00056 -0.00162 0.00008 0.00182 7 5PX -0.00177 -0.00676 0.00290 0.00194 0.00073 8 5PY -0.00939 -0.01701 0.00885 -0.00056 -0.00520 9 5PZ -0.00046 -0.00612 0.00201 -0.00151 0.00207 10 6PX 0.00035 -0.01196 -0.00898 -0.00914 -0.00473 11 6PY -0.00204 0.00501 0.02859 0.00002 0.00946 12 6PZ 0.00074 -0.01748 -0.01860 0.00803 -0.00901 13 7D 0 0.00010 -0.00094 0.00161 -0.00053 -0.00253 14 7D+1 0.00003 0.00069 -0.00314 0.00028 0.00488 15 7D-1 -0.00008 0.00081 -0.00548 0.00013 0.00497 16 7D+2 0.00012 -0.00177 0.00316 0.00029 -0.00594 17 7D-2 -0.00009 0.00121 -0.00523 -0.00012 0.00595 18 8D 0 -0.00089 -0.00059 -0.00030 -0.00012 -0.00014 19 8D+1 -0.00010 0.00030 -0.00139 0.00009 0.00223 20 8D-1 0.00078 0.00053 -0.00199 0.00013 0.00191 21 8D+2 -0.00114 -0.00103 -0.00015 0.00004 -0.00116 22 8D-2 0.00089 0.00071 -0.00153 -0.00012 0.00197 23 2 Cu 1S 0.00149 0.00106 0.00081 -0.00010 -0.00198 24 2S 0.00134 0.00514 -0.01564 -0.00095 0.02665 25 3S 0.02258 -0.01580 -0.02527 -0.02766 0.05253 26 4PX -0.00020 0.00054 -0.00216 -0.00015 0.00376 27 4PY -0.00006 0.00100 -0.00306 -0.00034 0.00526 28 4PZ -0.00001 -0.00126 0.00341 0.00036 -0.00550 29 5PX 0.00023 -0.00172 0.00455 0.00162 -0.00490 30 5PY -0.00488 0.00156 0.00983 0.00456 -0.01830 31 5PZ 0.00676 0.00213 -0.00594 -0.00351 0.01656 32 6PX -0.00351 -0.00757 -0.00817 -0.00325 0.00299 33 6PY -0.00151 -0.01663 -0.01861 0.01378 -0.00406 34 6PZ 0.00446 -0.03088 -0.02795 -0.00621 0.01143 35 7D 0 0.00002 0.00105 -0.00383 -0.00031 0.00364 36 7D+1 -0.00018 -0.00174 0.00636 0.00017 -0.01144 37 7D-1 -0.00014 -0.00312 0.00872 0.00154 -0.01445 38 7D+2 -0.00007 -0.00115 0.00249 0.00107 -0.00409 39 7D-2 0.00016 0.00151 -0.00505 -0.00072 0.01074 40 8D 0 -0.00001 -0.00010 -0.00127 0.00018 0.00072 41 8D+1 0.00104 0.00004 0.00279 0.00007 -0.00453 42 8D-1 0.00045 0.00013 0.00251 0.00052 -0.00338 43 8D+2 0.00043 0.00095 0.00047 0.00068 -0.00116 44 8D-2 -0.00090 -0.00023 -0.00223 -0.00017 0.00439 45 3 Cu 1S 0.00149 0.00107 0.00081 0.00010 -0.00197 46 2S 0.00136 0.00514 -0.01547 0.00097 0.02651 47 3S 0.02143 -0.01481 -0.02311 0.02819 0.05257 48 4PX 0.00005 -0.00113 0.00318 -0.00033 -0.00522 49 4PY -0.00011 0.00124 -0.00381 0.00041 0.00658 50 4PZ -0.00018 -0.00007 -0.00038 -0.00003 0.00081 51 5PX 0.00507 0.00292 -0.00474 0.00282 0.01324 52 5PY -0.00543 0.00074 0.01090 -0.00548 -0.02111 53 5PZ 0.00317 -0.00124 0.00069 0.00039 0.00398 54 6PX 0.00504 -0.02916 -0.02592 0.00458 0.00862 55 6PY -0.00233 -0.01393 -0.01606 -0.01178 -0.00490 56 6PZ -0.00167 -0.01484 -0.01426 0.00821 0.00727 57 7D 0 -0.00018 -0.00218 0.00685 -0.00105 -0.01163 58 7D+1 -0.00005 0.00013 0.00030 0.00060 -0.00204 59 7D-1 0.00007 -0.00016 -0.00056 -0.00028 0.00319 60 7D+2 -0.00006 -0.00070 0.00073 -0.00080 -0.00360 61 7D-2 -0.00019 -0.00342 0.01042 -0.00143 -0.01775 62 8D 0 0.00104 0.00073 0.00255 -0.00048 -0.00431 63 8D+1 0.00041 -0.00036 0.00058 0.00011 -0.00143 64 8D-1 -0.00053 0.00018 -0.00096 -0.00026 0.00241 65 8D+2 0.00029 0.00047 -0.00010 -0.00060 -0.00105 66 8D-2 0.00072 -0.00008 0.00355 -0.00036 -0.00505 67 4 Cu 1S 0.00115 -0.01101 0.01013 -0.00001 -0.00513 68 2S 0.01239 0.08018 -0.10310 0.00007 0.15867 69 3S -0.10764 -0.21695 0.07533 0.00079 -0.08408 70 4PX -0.00002 -0.00977 0.00715 -0.00732 -0.01619 71 4PY 0.00172 0.02613 -0.03105 0.00141 0.02737 72 4PZ -0.00046 -0.01999 0.01769 0.00538 -0.02905 73 5PX 0.00496 0.00212 -0.00653 -0.00066 0.03058 74 5PY -0.02863 -0.02655 0.03050 -0.00058 -0.04983 75 5PZ 0.01359 0.00972 -0.01585 -0.00002 0.05507 76 6PX 0.00016 0.03351 0.03701 0.04457 0.02902 77 6PY -0.03083 0.08791 0.11077 -0.01132 -0.06628 78 6PZ 0.00787 0.02561 0.02718 -0.03555 0.05688 79 7D 0 -0.00066 0.00097 0.02286 -0.04256 0.03982 80 7D+1 -0.00057 0.02347 -0.02268 0.02132 0.09365 81 7D-1 0.00014 -0.06265 0.11358 0.02550 -0.16806 82 7D+2 -0.00070 -0.03481 0.09179 0.00815 -0.05045 83 7D-2 0.00030 -0.03077 0.04731 -0.04651 -0.09497 84 8D 0 0.00222 -0.00001 0.00709 -0.01172 0.01081 85 8D+1 0.00780 0.00973 -0.00465 0.00587 0.02819 86 8D-1 -0.01711 -0.02824 0.02839 0.00680 -0.05567 87 8D+2 -0.00711 -0.01587 0.02464 0.00236 -0.01886 88 8D-2 -0.00911 -0.01385 0.01130 -0.01247 -0.03095 89 5 Cu 1S 0.00112 -0.00007 0.00131 -0.00040 -0.00106 90 2S 0.00145 0.00682 -0.01343 0.00480 0.01839 91 3S 0.01826 0.07587 0.00366 0.00860 -0.02205 92 4PX 0.00001 0.00065 -0.00126 -0.00023 0.00183 93 4PY 0.00004 -0.00016 0.00063 0.00061 -0.00242 94 4PZ 0.00006 -0.00233 0.00364 -0.00154 -0.00411 95 5PX -0.00347 -0.00807 -0.00085 -0.00227 0.00445 96 5PY 0.00359 0.00650 0.00098 0.00341 -0.00268 97 5PZ 0.00335 0.01601 -0.00343 0.00770 0.00294 98 6PX 0.00018 -0.00815 -0.00476 -0.01151 -0.00347 99 6PY 0.00723 -0.01724 -0.02334 0.00385 0.00852 100 6PZ 0.00334 0.03459 0.01281 -0.00438 -0.01815 101 7D 0 0.00008 0.00325 -0.00610 0.00355 0.00550 102 7D+1 0.00007 -0.00103 0.00336 0.00167 -0.00487 103 7D-1 -0.00022 -0.00018 0.00044 -0.00338 0.00568 104 7D+2 -0.00004 -0.00016 0.00107 0.00005 -0.00108 105 7D-2 0.00005 -0.00042 0.00155 0.00050 -0.00552 106 8D 0 -0.00037 0.00056 -0.00196 0.00273 0.00139 107 8D+1 -0.00062 -0.00045 0.00061 0.00035 -0.00163 108 8D-1 0.00170 0.00046 0.00080 -0.00141 0.00227 109 8D+2 0.00024 -0.00029 0.00055 -0.00019 -0.00061 110 8D-2 -0.00050 -0.00063 0.00066 -0.00020 -0.00226 111 6 Cu 1S 0.00142 0.00091 0.00089 -0.00001 -0.00157 112 2S 0.00109 0.00471 -0.01289 -0.00003 0.02462 113 3S -0.00741 -0.02003 -0.00090 -0.00043 0.06214 114 4PX 0.00020 -0.00075 0.00228 -0.00001 -0.00444 115 4PY 0.00003 -0.00004 0.00038 0.00000 -0.00087 116 4PZ 0.00028 -0.00105 0.00315 0.00002 -0.00611 117 5PX 0.00019 0.00036 -0.00294 -0.00157 0.01527 118 5PY 0.00050 0.00648 0.00107 0.00026 -0.00892 119 5PZ 0.00010 -0.00085 -0.00427 0.00092 0.02377 120 6PX -0.00093 -0.00027 0.00491 -0.01255 0.00436 121 6PY -0.00175 -0.01578 -0.01353 0.00242 0.00395 122 6PZ -0.00112 0.00397 0.00999 0.00840 0.00515 123 7D 0 0.00011 0.00156 -0.00384 0.00049 0.00905 124 7D+1 0.00012 0.00249 -0.00665 -0.00020 0.01477 125 7D-1 0.00000 -0.00008 -0.00122 0.00032 0.00417 126 7D+2 0.00010 0.00090 -0.00235 -0.00044 0.00648 127 7D-2 -0.00002 -0.00006 -0.00091 -0.00031 0.00259 128 8D 0 -0.00059 -0.00017 -0.00134 0.00075 0.00364 129 8D+1 -0.00037 0.00058 -0.00215 -0.00035 0.00526 130 8D-1 0.00009 0.00092 -0.00119 -0.00004 0.00184 131 8D+2 -0.00068 -0.00036 -0.00122 -0.00039 0.00309 132 8D-2 0.00022 0.00085 -0.00070 0.00027 0.00094 133 7 Cu 1S 0.00103 -0.00014 0.00133 0.00039 -0.00100 134 2S 0.00135 0.00688 -0.01395 -0.00488 0.01825 135 3S 0.01881 0.07585 0.00294 -0.01059 -0.02409 136 4PX 0.00003 -0.00244 0.00402 0.00126 -0.00481 137 4PY 0.00005 0.00034 -0.00023 -0.00074 -0.00144 138 4PZ 0.00001 -0.00022 0.00008 0.00086 0.00064 139 5PX 0.00505 0.01848 -0.00344 -0.00914 -0.00001 140 5PY 0.00235 0.00213 0.00119 -0.00162 -0.00198 141 5PZ -0.00261 -0.00269 -0.00216 -0.00017 0.00541 142 6PX 0.00450 0.03113 0.00797 -0.00147 -0.01417 143 6PY 0.00682 -0.02298 -0.02469 0.00019 0.00984 144 6PZ 0.00010 0.00764 0.00352 0.01257 -0.01091 145 7D 0 -0.00001 -0.00163 0.00425 -0.00008 -0.00442 146 7D+1 0.00014 0.00108 -0.00117 -0.00362 -0.00193 147 7D-1 -0.00006 -0.00072 0.00229 0.00118 -0.00326 148 7D+2 -0.00006 0.00267 -0.00518 -0.00103 0.00797 149 7D-2 -0.00021 -0.00105 0.00223 0.00335 0.00436 150 8D 0 -0.00010 -0.00053 0.00122 0.00066 -0.00142 151 8D+1 -0.00099 -0.00010 -0.00087 -0.00193 -0.00099 152 8D-1 0.00030 -0.00051 0.00127 0.00102 -0.00133 153 8D+2 0.00069 0.00068 -0.00138 -0.00146 0.00240 154 8D-2 0.00151 0.00037 0.00116 0.00164 0.00210 155 8 C 1S -0.11641 -0.16116 0.03651 -0.00002 -0.08073 156 2S 0.24093 0.38164 -0.06001 0.00009 0.15509 157 3S 0.06137 0.29223 -0.13402 -0.00032 0.22629 158 4PX 0.03050 -0.01993 0.24504 0.31880 0.05485 159 4PY -0.22287 -0.04471 -0.09147 -0.06015 0.44742 160 4PZ 0.09856 -0.01556 0.35594 -0.23505 -0.04022 161 5PX -0.00442 -0.01399 0.03459 0.05301 0.01639 162 5PY 0.04594 0.06776 0.01491 -0.00979 0.02379 163 5PZ -0.01762 -0.03648 0.04271 -0.03886 0.01606 164 9 O 1S -0.21141 0.12606 0.02126 -0.00001 -0.02036 165 2S 0.46530 -0.28473 -0.03998 0.00000 0.03005 166 3S 0.31256 -0.37893 -0.10195 0.00018 0.12591 167 4PX -0.02992 -0.07135 0.27558 0.49669 0.24847 168 4PY 0.20693 0.38823 0.41498 -0.09402 -0.15903 169 4PZ -0.09368 -0.19642 0.26734 -0.36600 0.37824 170 5PX 0.00170 -0.01834 0.10894 0.19066 0.09194 171 5PY -0.01524 0.09524 0.12016 -0.03600 0.00220 172 5PZ 0.00617 -0.04937 0.11698 -0.14057 0.12435 36 37 38 39 40 O O O O O EIGENVALUES -- -0.35223 -0.33911 -0.33818 -0.32603 -0.32451 1 1 Cu 1S -0.01003 0.00352 -0.00023 -0.00005 0.00216 2 2S 0.11603 -0.11533 0.00652 0.00027 -0.00364 3 3S 0.01586 -0.07926 0.00413 -0.00254 0.10022 4 4PX 0.01410 -0.01486 -0.00240 -0.00678 -0.00133 5 4PY 0.01367 -0.01661 0.00140 0.00104 0.00159 6 4PZ 0.01714 -0.01733 0.00323 0.00475 -0.00166 7 5PX -0.00915 0.03676 -0.01062 0.01120 -0.00633 8 5PY -0.00201 0.04355 -0.00092 -0.00104 -0.02547 9 5PZ -0.01268 0.04402 0.00367 -0.00745 -0.00437 10 6PX -0.00204 -0.01701 0.00837 -0.02469 -0.00461 11 6PY -0.00658 -0.04721 0.00084 0.00391 -0.00648 12 6PZ -0.00100 -0.01464 -0.00435 0.01714 -0.00400 13 7D 0 0.01702 -0.00003 0.03078 0.04391 -0.01760 14 7D+1 0.07309 -0.10365 -0.00489 -0.00887 0.01368 15 7D-1 0.07499 -0.13407 0.02642 0.07792 -0.01543 16 7D+2 0.00220 0.02499 -0.02557 -0.05574 -0.04966 17 7D-2 0.06128 -0.11631 -0.01239 -0.09688 -0.00056 18 8D 0 0.00605 -0.00143 0.01086 0.01486 -0.00640 19 8D+1 0.02535 -0.03941 -0.00170 -0.00260 0.00555 20 8D-1 0.02402 -0.05071 0.00853 0.02945 -0.00575 21 8D+2 0.00040 0.00735 -0.00850 -0.02016 -0.01840 22 8D-2 0.01995 -0.04321 -0.00298 -0.03711 -0.00022 23 2 Cu 1S -0.01367 0.00180 0.00013 0.00211 0.00042 24 2S 0.21812 -0.06056 0.08566 0.02319 -0.02575 25 3S -0.04640 -0.07189 0.18397 0.11442 -0.03779 26 4PX 0.02571 -0.00363 0.00251 -0.00369 0.00600 27 4PY 0.02552 0.00630 0.01836 0.00119 -0.00624 28 4PZ -0.02471 0.02134 -0.00617 -0.00725 0.00305 29 5PX -0.03015 0.02314 -0.04587 0.00415 -0.00546 30 5PY -0.02191 0.02215 -0.04618 -0.02339 0.01080 31 5PZ 0.02337 -0.02118 0.05297 0.02950 -0.00828 32 6PX 0.03361 0.02170 -0.04451 -0.00360 0.01455 33 6PY 0.03112 0.03796 0.03656 -0.02619 -0.00405 34 6PZ -0.03357 0.06164 0.00389 -0.00281 -0.01273 35 7D 0 -0.01161 -0.21862 -0.04140 0.08436 0.00621 36 7D+1 -0.12048 0.09207 0.01831 0.04133 -0.05824 37 7D-1 -0.03543 0.00678 -0.06633 -0.07688 0.04665 38 7D+2 -0.00899 -0.07255 -0.13658 0.00005 0.10603 39 7D-2 0.12653 0.05312 0.05152 -0.05023 0.08401 40 8D 0 -0.00332 -0.07549 -0.01477 0.02929 0.00314 41 8D+1 -0.04378 0.03282 0.00376 0.01542 -0.02203 42 8D-1 -0.01162 0.00224 -0.02336 -0.02632 0.01565 43 8D+2 -0.00520 -0.02546 -0.04590 0.00041 0.03625 44 8D-2 0.04604 0.01720 0.02019 -0.01906 0.02970 45 3 Cu 1S -0.01367 0.00177 -0.00045 -0.00223 0.00025 46 2S 0.21800 -0.06831 -0.07696 -0.02187 -0.02805 47 3S -0.04457 -0.08968 -0.17656 -0.11460 -0.04756 48 4PX -0.02601 0.02222 0.00041 0.00550 0.00005 49 4PY 0.03348 0.00043 -0.01898 -0.00100 -0.00550 50 4PZ 0.01147 0.00339 0.00207 0.00544 0.00788 51 5PX 0.02717 -0.02754 -0.05209 -0.02183 -0.00594 52 5PY -0.03100 0.03514 0.05805 0.02619 0.01272 53 5PZ -0.01635 0.01250 0.01595 -0.01646 -0.01027 54 6PX -0.03502 0.05388 -0.03016 0.00804 -0.01644 55 6PY 0.04152 0.02861 -0.02820 0.02577 0.00296 56 6PZ 0.01441 0.04100 0.04135 -0.00011 0.01012 57 7D 0 -0.09631 0.06307 0.07402 -0.01502 0.01867 58 7D+1 -0.06212 -0.02624 -0.03966 -0.06469 -0.05713 59 7D-1 0.10184 0.03925 0.01630 0.07067 0.13081 60 7D+2 -0.02543 -0.21312 0.15665 -0.04526 0.06249 61 7D-2 -0.08844 0.08166 0.01437 0.06483 -0.01983 62 8D 0 -0.03677 0.02243 0.02643 -0.00624 0.00462 63 8D+1 -0.02163 -0.00826 -0.01184 -0.02275 -0.02032 64 8D-1 0.03682 0.01209 0.00325 0.02573 0.04561 65 8D+2 -0.00914 -0.07377 0.05391 -0.01615 0.02226 66 8D-2 -0.03073 0.02895 0.00683 0.02177 -0.00800 67 4 Cu 1S -0.00633 -0.00024 0.00002 0.00000 0.00061 68 2S 0.17817 -0.01562 0.00155 0.00373 -0.06924 69 3S 0.07625 0.00056 0.00024 0.00080 -0.00898 70 4PX 0.02676 0.00308 -0.01458 0.00337 0.00023 71 4PY -0.04685 0.02187 0.00073 -0.00045 -0.00022 72 4PZ 0.04831 0.00117 0.01051 -0.00224 0.00039 73 5PX -0.06437 0.01363 -0.01091 0.01238 -0.00164 74 5PY 0.12457 -0.01959 0.00356 -0.00067 -0.02953 75 5PZ -0.11922 0.02492 0.00458 -0.00953 0.00290 76 6PX 0.01436 -0.00589 -0.00757 0.05800 -0.02515 77 6PY 0.01368 -0.00318 0.00077 -0.00737 -0.03797 78 6PZ 0.01670 -0.00798 0.00560 -0.03888 -0.03069 79 7D 0 0.04599 0.39622 0.47866 -0.24960 0.10102 80 7D+1 0.03075 0.15508 -0.24959 0.01988 0.68375 81 7D-1 0.02213 0.02075 -0.14067 -0.42579 0.06095 82 7D+2 0.06741 0.49621 -0.22439 0.32484 -0.24757 83 7D-2 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7D-1 0.08497 0.05364 0.11325 0.01691 -0.08031 104 7D+2 -0.01730 0.01392 -0.04175 -0.02571 0.07267 105 7D-2 -0.09173 -0.05499 -0.07868 0.03958 -0.01769 106 8D 0 -0.00734 -0.00131 -0.00460 -0.02491 -0.03625 107 8D+1 -0.02329 -0.01658 -0.02641 0.02894 -0.02257 108 8D-1 0.02821 0.02237 0.04231 0.00704 -0.02894 109 8D+2 -0.00617 0.00404 -0.01496 -0.00871 0.02551 110 8D-2 -0.03242 -0.02153 -0.03057 0.01501 -0.00575 111 6 Cu 1S -0.01372 0.00137 -0.00014 -0.00015 0.00385 112 2S 0.21768 0.05908 -0.00249 -0.00065 0.03991 113 3S -0.01508 0.19179 -0.01079 -0.00567 0.20308 114 4PX -0.02650 -0.00764 -0.01488 0.00565 -0.00431 115 4PY -0.01034 0.00342 0.00213 -0.00076 0.00098 116 4PZ -0.03548 -0.00987 0.01113 -0.00381 -0.00650 117 5PX 0.03083 0.04784 -0.01226 -0.00126 0.04071 118 5PY 0.01287 0.01781 0.00057 0.00026 -0.00655 119 5PZ 0.04099 0.06511 0.00316 -0.00163 0.05914 120 6PX -0.02837 -0.00056 -0.04515 0.00854 0.00986 121 6PY -0.00558 0.05725 0.00430 -0.00059 -0.00804 122 6PZ -0.03937 -0.00775 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-0.01145 0.00657 162 5PY -0.00746 0.01957 0.00221 0.00163 0.00510 163 5PZ 0.00834 0.01281 0.01436 0.00760 0.00913 164 9 O 1S -0.00212 0.00042 -0.00004 0.00006 -0.00110 165 2S 0.01141 -0.00257 0.00026 -0.00018 0.00278 166 3S -0.01462 0.00828 -0.00075 -0.00044 0.00856 167 4PX -0.01252 -0.04694 0.07735 0.04063 -0.01526 168 4PY 0.06270 -0.04698 -0.00968 -0.00699 0.00688 169 4PZ -0.03305 -0.06531 -0.04841 -0.02587 -0.02550 170 5PX -0.00822 -0.02613 0.04524 0.02116 -0.00944 171 5PY 0.00956 -0.02394 -0.00603 -0.00362 0.00216 172 5PZ -0.01356 -0.03729 -0.02844 -0.01348 -0.01521 41 42 43 44 45 O O O O O EIGENVALUES -- -0.32174 -0.31035 -0.30747 -0.30673 -0.30483 1 1 Cu 1S 0.00306 0.00285 0.00002 -0.00246 0.00020 2 2S 0.08307 0.06017 0.00103 0.03079 -0.02924 3 3S 0.17772 0.16276 0.00218 -0.01367 -0.03606 4 4PX 0.00323 0.00863 0.00681 0.00506 -0.00137 5 4PY 0.01400 -0.00596 -0.00107 0.00181 0.00223 6 4PZ 0.00149 0.01395 -0.00441 0.00688 -0.00240 7 5PX -0.02302 -0.04015 -0.02118 -0.00558 0.00362 8 5PY -0.05320 -0.00744 0.00295 -0.01879 0.01620 9 5PZ -0.02111 -0.05651 0.01359 -0.00410 0.00169 10 6PX -0.01686 -0.00442 0.01457 0.01856 0.00922 11 6PY -0.00204 -0.02453 -0.00232 0.03086 0.01206 12 6PZ -0.02406 -0.00032 -0.00974 0.02026 0.01047 13 7D 0 -0.07449 0.16386 -0.10989 0.10672 -0.02149 14 7D+1 -0.03070 0.15067 0.05365 0.18574 0.03578 15 7D-1 -0.00516 -0.03245 -0.00382 0.01680 0.08530 16 7D+2 -0.10353 0.15134 0.06315 0.05536 -0.03379 17 7D-2 0.02628 -0.05441 -0.02499 0.01569 0.07574 18 8D 0 -0.02605 0.05649 -0.03772 0.03621 -0.00665 19 8D+1 -0.01118 0.05483 0.01863 0.06738 0.01432 20 8D-1 -0.00262 -0.01169 -0.00063 0.00658 0.02854 21 8D+2 -0.03611 0.05013 0.02131 0.01610 -0.01197 22 8D-2 0.00856 -0.01815 -0.00954 0.00727 0.02584 23 2 Cu 1S -0.00347 0.00133 -0.00157 0.00097 -0.00188 24 2S -0.01148 0.05086 -0.07201 0.02575 -0.08616 25 3S -0.14884 -0.03936 -0.13645 0.08567 -0.11148 26 4PX -0.01158 -0.00061 -0.00522 0.00304 -0.01405 27 4PY 0.00013 -0.00246 -0.01023 -0.01045 0.00152 28 4PZ 0.00062 -0.00167 -0.00278 -0.01266 -0.00210 29 5PX 0.02588 -0.01284 0.04029 -0.02416 0.02928 30 5PY 0.03021 -0.00145 0.02874 0.01113 0.03074 31 5PZ -0.02964 0.00283 -0.01272 0.02825 -0.03407 32 6PX -0.02093 -0.02089 0.01000 -0.00466 -0.00974 33 6PY 0.00223 -0.00532 -0.02603 -0.03195 0.01864 34 6PZ -0.00659 -0.01561 -0.01426 -0.03501 -0.01072 35 7D 0 0.06453 0.11833 0.08696 0.14666 0.20728 36 7D+1 0.14473 0.00044 -0.11911 -0.28033 -0.04394 37 7D-1 0.04130 0.35919 -0.22375 0.06929 -0.22078 38 7D+2 -0.11403 -0.19427 0.08674 0.12980 -0.32032 39 7D-2 -0.10693 -0.08324 -0.19695 -0.24731 0.02413 40 8D 0 0.02213 0.04058 0.02837 0.04819 0.06843 41 8D+1 0.05163 -0.00122 -0.03830 -0.09528 -0.01454 42 8D-1 0.01496 0.12187 -0.07382 0.02195 -0.07083 43 8D+2 -0.03793 -0.06771 0.02939 0.04318 -0.10589 44 8D-2 -0.03899 -0.02716 -0.06803 -0.08304 0.00823 45 3 Cu 1S -0.00342 0.00126 0.00157 0.00094 -0.00183 46 2S -0.01098 0.04800 0.07382 0.02424 -0.08700 47 3S -0.14684 -0.04394 0.13580 0.08316 -0.11182 48 4PX 0.00423 -0.00194 0.00264 -0.01495 0.00289 49 4PY -0.00221 -0.00262 0.01048 -0.00801 -0.00121 50 4PZ -0.01060 -0.00092 0.00429 -0.00021 -0.01405 51 5PX -0.02941 0.00553 0.01946 0.03605 -0.03497 52 5PY 0.03831 -0.00317 -0.03758 0.00307 0.04062 53 5PZ 0.00934 -0.00975 -0.02926 -0.01366 0.01135 54 6PX 0.00118 -0.00977 0.02095 -0.03811 -0.00278 55 6PY -0.00117 -0.00805 0.02087 -0.02774 0.01761 56 6PZ -0.02207 -0.02342 -0.00888 -0.01204 -0.01582 57 7D 0 -0.00133 -0.18744 -0.04320 -0.05798 -0.30626 58 7D+1 0.14767 0.07397 0.09334 -0.22130 0.18754 59 7D-1 -0.12999 -0.02266 0.21868 -0.14577 -0.17976 60 7D+2 -0.00629 0.13105 -0.10681 0.33242 -0.06737 61 7D-2 0.11119 0.34832 0.22023 -0.01024 -0.17178 62 8D 0 0.00203 -0.06605 -0.01637 -0.01993 -0.10145 63 8D+1 0.05124 0.02507 0.03110 -0.07557 0.06190 64 8D-1 -0.04605 -0.00730 0.07457 -0.04941 -0.05847 65 8D+2 -0.00125 0.04398 -0.03586 0.11055 -0.02171 66 8D-2 0.03964 0.11807 0.07185 -0.00445 -0.05494 67 4 Cu 1S -0.00107 -0.00233 -0.00002 -0.00034 0.00277 68 2S 0.16308 -0.07402 -0.00120 0.02181 0.00889 69 3S -0.00116 -0.26606 -0.00246 0.03078 0.33827 70 4PX -0.00272 -0.00339 0.00169 -0.00224 0.00758 71 4PY 0.01142 0.00408 -0.00039 -0.00042 -0.01707 72 4PZ -0.00654 -0.00563 -0.00120 -0.00320 0.01471 73 5PX -0.00865 0.03047 0.03404 -0.01574 -0.08244 74 5PY -0.00617 -0.06776 -0.00538 -0.02817 0.16582 75 5PZ -0.01039 0.05949 -0.02384 -0.01507 -0.15432 76 6PX 0.00362 0.00188 -0.02107 0.00445 -0.01490 77 6PY -0.02218 0.01311 0.00294 0.00656 -0.00348 78 6PZ 0.01062 -0.00203 0.01441 0.00370 -0.01955 79 7D 0 -0.05887 0.05401 0.26961 0.17964 0.04871 80 7D+1 0.00661 0.06739 -0.11176 0.05857 0.11018 81 7D-1 0.51910 -0.10100 0.00509 0.05682 -0.15938 82 7D+2 0.05368 0.02436 -0.13966 0.28128 -0.03951 83 7D-2 0.34861 -0.07199 0.05956 -0.03897 -0.09110 84 8D 0 -0.01983 0.01735 0.08567 0.05778 0.01639 85 8D+1 -0.00148 0.02151 -0.03567 0.02018 0.03685 86 8D-1 0.17022 -0.03267 0.00040 0.01891 -0.05167 87 8D+2 0.01938 0.00781 -0.04382 0.08969 -0.01260 88 8D-2 0.11344 -0.02332 0.02059 -0.01172 -0.02957 89 5 Cu 1S 0.00108 0.00359 0.00170 0.00027 0.00045 90 2S 0.08185 0.04177 -0.03842 -0.02432 -0.03028 91 3S 0.10634 0.13824 -0.00421 -0.01529 -0.03366 92 4PX 0.00758 0.00443 -0.00421 -0.00812 -0.00103 93 4PY -0.00250 -0.01098 0.01058 0.00375 0.00204 94 4PZ -0.01158 0.00744 -0.00095 -0.00288 -0.00174 95 5PX -0.02551 -0.02624 0.00459 0.02247 0.00115 96 5PY 0.02140 0.04877 -0.01956 -0.00259 -0.00156 97 5PZ 0.03128 -0.00485 -0.01256 -0.00178 -0.01200 98 6PX -0.00272 -0.00918 -0.00863 -0.01518 0.00795 99 6PY 0.01444 0.00382 0.01755 0.00444 -0.00378 100 6PZ -0.00379 0.03384 0.02836 0.00988 -0.02037 101 7D 0 0.06439 -0.15262 0.14800 0.09461 0.00613 102 7D+1 -0.06829 0.06620 -0.00135 -0.05730 -0.07172 103 7D-1 -0.00386 -0.06676 0.02720 0.01342 0.08679 104 7D+2 0.04142 -0.07638 0.09765 -0.01400 0.00439 105 7D-2 0.00814 -0.08384 0.15921 0.15457 -0.03793 106 8D 0 0.02093 -0.05150 0.04893 0.03025 0.00248 107 8D+1 -0.02435 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-0.02765 -0.09121 0.04892 -0.06533 147 7D-1 0.01817 -0.10777 -0.16916 0.13250 0.00468 148 7D+2 0.08044 -0.15918 -0.12738 0.04611 0.06291 149 7D-2 -0.04509 0.02980 0.07739 -0.06231 0.06661 150 8D 0 -0.00997 0.01890 0.00423 -0.03634 -0.01287 151 8D+1 -0.00964 -0.00902 -0.03227 0.01559 -0.02262 152 8D-1 0.00664 -0.03920 -0.06117 0.04816 -0.00058 153 8D+2 0.02693 -0.05427 -0.04138 0.01392 0.02189 154 8D-2 -0.01595 0.00983 0.02688 -0.02235 0.02254 155 8 C 1S -0.01945 -0.00053 0.00013 -0.00405 0.01432 156 2S 0.03624 0.00391 -0.00031 0.01022 -0.03666 157 3S 0.09898 -0.01531 -0.00029 0.00542 0.00058 158 4PX -0.00528 0.00178 -0.01284 0.00968 0.00628 159 4PY 0.06240 0.00299 0.00192 0.02129 -0.04377 160 4PZ -0.02326 0.00147 0.00947 0.00896 0.01958 161 5PX -0.00187 0.00945 -0.02128 0.01300 -0.00771 162 5PY 0.01708 -0.01299 0.00344 0.02414 0.03040 163 5PZ -0.00696 0.01589 0.01540 0.01289 -0.01853 164 9 O 1S 0.00363 -0.00012 -0.00002 0.00026 -0.00285 165 2S -0.01208 0.00180 0.00011 -0.00241 0.00730 166 3S -0.00976 -0.00448 -0.00021 0.00864 0.01548 167 4PX 0.00873 -0.00870 0.03023 -0.02755 -0.00716 168 4PY -0.05102 -0.00083 -0.00519 -0.02487 0.03098 169 4PZ 0.02547 -0.01123 -0.02198 -0.03397 -0.01720 170 5PX 0.00332 -0.00596 0.02215 -0.01776 -0.00202 171 5PY -0.01834 -0.00141 -0.00390 -0.01395 0.00504 172 5PZ 0.00938 -0.00740 -0.01598 -0.02240 -0.00373 46 47 48 49 50 O O O O O EIGENVALUES -- -0.29595 -0.29588 -0.29201 -0.28748 -0.28532 1 1 Cu 1S 0.00129 0.00097 -0.00005 0.00006 -0.00192 2 2S 0.03010 0.02157 -0.00059 -0.00257 0.09429 3 3S 0.07295 0.05298 -0.00206 -0.00244 0.09046 4 4PX -0.00266 0.00939 -0.00334 0.00302 0.00731 5 4PY 0.00345 0.00071 0.00046 -0.00063 0.00463 6 4PZ 0.00719 -0.00277 0.00226 -0.00252 0.00915 7 5PX -0.00016 -0.01951 0.00474 0.00566 -0.02071 8 5PY -0.01648 -0.00891 -0.00039 -0.00041 -0.01638 9 5PZ -0.01659 0.00148 -0.00289 -0.00288 -0.02625 10 6PX -0.00609 -0.00650 -0.00743 -0.00432 0.00926 11 6PY 0.02458 0.01826 0.00059 0.00121 -0.02125 12 6PZ -0.01595 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-0.00041 112 2S 0.03645 0.02707 -0.00105 0.00159 -0.04959 113 3S 0.10767 0.07860 -0.00354 -0.00099 -0.01092 114 4PX 0.00056 -0.00270 -0.00934 0.00619 0.00306 115 4PY -0.00017 0.00042 0.00144 -0.00065 -0.00999 116 4PZ -0.00201 0.00066 0.00664 -0.00459 0.00593 117 5PX 0.01397 0.00287 0.03831 0.00182 -0.01197 118 5PY 0.00890 0.00736 -0.00624 -0.00089 0.02286 119 5PZ 0.00902 0.01204 -0.02757 -0.00067 -0.02159 120 6PX 0.03871 -0.02323 -0.05310 0.00785 0.00374 121 6PY -0.00193 0.00629 0.00800 -0.00017 -0.03334 122 6PZ 0.00551 0.04040 0.03641 -0.00615 0.01202 123 7D 0 0.07157 -0.20419 -0.25067 0.00163 -0.02701 124 7D+1 -0.17858 0.00685 0.13653 -0.04655 0.31138 125 7D-1 -0.12181 0.09873 0.16262 -0.23883 0.14700 126 7D+2 -0.03415 0.02809 0.06275 0.10877 -0.20215 127 7D-2 0.11811 -0.24457 -0.28969 0.31822 0.21685 128 8D 0 0.02359 -0.06850 -0.08240 -0.00074 -0.00956 129 8D+1 -0.06121 0.00131 0.04493 -0.01463 0.10061 130 8D-1 -0.04134 0.03309 0.05349 -0.07799 0.04656 131 8D+2 -0.01100 0.00948 0.02061 0.03626 -0.06684 132 8D-2 0.03937 -0.08259 -0.09524 0.10365 0.06989 133 7 Cu 1S 0.00020 -0.00160 -0.00074 -0.00060 -0.00016 134 2S 0.00176 -0.02672 0.00262 0.07980 -0.04183 135 3S 0.00859 -0.08569 -0.01539 0.11448 -0.05935 136 4PX 0.00001 0.00293 0.00000 -0.00556 0.00301 137 4PY 0.00455 0.00453 -0.00689 -0.00747 0.00050 138 4PZ 0.00553 -0.00132 -0.00687 0.00581 -0.00629 139 5PX 0.00214 -0.01942 -0.00225 0.02231 -0.01167 140 5PY -0.00851 -0.01234 0.01003 0.02477 -0.01811 141 5PZ -0.01160 0.00618 0.01155 -0.02686 0.01152 142 6PX -0.00215 0.02545 0.00590 0.01455 -0.00559 143 6PY 0.00567 -0.02456 -0.01708 -0.00065 0.00769 144 6PZ -0.00043 0.02620 -0.00002 0.00852 0.00206 145 7D 0 0.20141 0.00922 -0.28004 0.00726 -0.25137 146 7D+1 -0.07441 0.10120 0.17442 -0.02116 0.08544 147 7D-1 -0.01081 -0.03889 0.00788 0.03641 0.04298 148 7D+2 0.10126 0.12466 -0.16699 -0.15509 -0.07720 149 7D-2 -0.04826 -0.15483 0.12617 0.06219 0.08438 150 8D 0 0.06861 0.00403 -0.09367 0.00317 -0.08383 151 8D+1 -0.02461 0.03544 0.05970 -0.00702 0.02765 152 8D-1 -0.00355 -0.01578 0.00223 0.01275 0.01513 153 8D+2 0.03454 0.04010 -0.05611 -0.05237 -0.02503 154 8D-2 -0.01546 -0.05404 0.04288 0.02017 0.02796 155 8 C 1S -0.00132 -0.00100 0.00001 -0.00006 0.00323 156 2S 0.00178 0.00131 -0.00001 0.00016 -0.00609 157 3S 0.01003 0.00784 -0.00016 -0.00002 -0.01498 158 4PX 0.00186 0.01092 -0.00100 -0.00772 0.00604 159 4PY 0.00964 0.00539 0.00006 0.00134 -0.00489 160 4PZ 0.01076 0.00086 0.00053 0.00494 0.01036 161 5PX 0.00294 -0.00298 -0.00268 -0.00143 0.00476 162 5PY 0.00074 0.00099 0.00040 0.00008 0.00073 163 5PZ -0.00074 0.00290 0.00194 0.00090 0.00681 164 9 O 1S 0.00009 0.00008 0.00000 0.00003 -0.00086 165 2S 0.00042 0.00032 -0.00001 -0.00011 0.00285 166 3S -0.00215 -0.00187 -0.00001 -0.00012 0.00284 167 4PX -0.00693 -0.01961 0.00289 0.01597 -0.01163 168 4PY -0.01174 -0.00588 -0.00034 -0.00264 0.00185 169 4PZ -0.02333 -0.00614 -0.00162 -0.01008 -0.01793 170 5PX -0.00373 -0.00914 0.00208 0.00850 -0.00675 171 5PY -0.00755 -0.00436 -0.00025 -0.00128 -0.00123 172 5PZ -0.01085 -0.00303 -0.00128 -0.00540 -0.00979 51 52 53 54 55 O O O O O EIGENVALUES -- -0.28470 -0.27919 -0.27850 -0.27206 -0.27045 1 1 Cu 1S 0.00262 0.00001 -0.00229 0.00000 0.00025 2 2S -0.01848 -0.00023 0.02089 0.00016 -0.00638 3 3S 0.07786 0.00072 -0.10614 0.00002 0.01307 4 4PX -0.00109 0.00281 0.00000 0.00259 -0.00004 5 4PY -0.00203 -0.00051 0.00674 -0.00038 -0.00016 6 4PZ -0.00119 -0.00195 -0.00157 -0.00182 -0.00014 7 5PX -0.01328 0.01293 0.01085 -0.01311 -0.00021 8 5PY -0.00085 -0.00221 0.02203 0.00239 -0.01769 9 5PZ -0.01910 -0.00902 0.01002 0.00898 0.00419 10 6PX -0.01053 0.00665 0.01116 0.00856 -0.00348 11 6PY 0.00024 -0.00156 0.01631 -0.00147 0.00323 12 6PZ -0.01529 -0.00437 0.01253 -0.00577 -0.00591 13 7D 0 0.01819 -0.00446 -0.14964 0.01881 -0.01857 14 7D+1 0.08323 -0.02898 -0.00314 0.00769 -0.29070 15 7D-1 -0.14247 -0.19679 0.11161 0.05370 0.16321 16 7D+2 -0.06841 0.09227 -0.20498 -0.04230 0.21390 17 7D-2 -0.06744 0.27231 0.15068 -0.07701 0.02187 18 8D 0 0.00714 -0.00132 -0.04942 0.00591 -0.00699 19 8D+1 0.02968 -0.00976 -0.00092 0.00264 -0.09784 20 8D-1 -0.04941 -0.06546 0.03806 0.01715 0.05384 21 8D+2 -0.02293 0.03059 -0.06740 -0.01356 0.07047 22 8D-2 -0.02361 0.09065 0.05055 -0.02469 0.00709 23 2 Cu 1S 0.00300 -0.00046 0.00072 0.00065 -0.00001 24 2S -0.07349 -0.04045 0.01192 -0.00714 0.00188 25 3S -0.06930 -0.14545 0.06789 -0.01094 0.02913 26 4PX -0.00518 -0.00179 0.00092 0.00336 -0.00229 27 4PY -0.00592 -0.00513 0.00632 -0.00539 0.00307 28 4PZ 0.00342 0.00775 0.00117 0.00236 -0.00201 29 5PX 0.00672 0.02980 -0.01807 -0.02059 0.01152 30 5PY 0.01572 0.01894 -0.03452 0.02976 -0.01849 31 5PZ -0.02013 -0.04297 -0.01319 -0.01589 0.01406 32 6PX 0.00463 0.01427 -0.00853 -0.01415 0.00858 33 6PY 0.00206 0.01747 0.00381 0.00864 -0.01401 34 6PZ -0.00066 -0.01138 0.01909 -0.01454 0.00775 35 7D 0 0.04288 0.04487 0.09140 0.20008 -0.03667 36 7D+1 -0.19992 -0.27168 -0.00912 -0.24562 0.05407 37 7D-1 0.14434 0.26801 -0.12910 -0.16926 0.05785 38 7D+2 -0.07599 0.02917 0.04005 -0.30048 0.19901 39 7D-2 0.29482 0.14606 -0.13951 0.23603 -0.18681 40 8D 0 0.01418 0.01312 0.02920 0.06447 -0.01176 41 8D+1 -0.06693 -0.08640 -0.00368 -0.07848 0.01846 42 8D-1 0.04807 0.08986 -0.04277 -0.05594 0.01910 43 8D+2 -0.02620 0.01000 0.01162 -0.09683 0.06390 44 8D-2 0.09800 0.04598 -0.04402 0.07645 -0.05851 45 3 Cu 1S 0.00303 0.00038 0.00076 -0.00063 -0.00001 46 2S -0.07220 0.04133 0.01293 0.00764 0.00263 47 3S -0.06559 0.14535 0.07330 0.00933 0.03207 48 4PX 0.00350 -0.00672 0.00169 0.00015 -0.00040 49 4PY -0.00705 0.00647 0.00619 0.00475 0.00317 50 4PZ -0.00278 -0.00181 0.00026 -0.00445 -0.00354 51 5PX -0.01678 0.04587 -0.01122 0.00136 0.00508 52 5PY 0.01850 -0.03017 -0.03562 -0.02599 -0.02015 53 5PZ -0.00322 -0.00878 -0.01652 0.02740 0.01963 54 6PX -0.00160 0.01163 0.02110 0.00737 0.00123 55 6PY 0.00253 -0.02103 -0.00204 -0.00674 -0.01459 56 6PZ 0.00340 -0.00668 -0.00219 0.01865 0.01350 57 7D 0 -0.25682 0.20427 0.04270 0.44511 0.24848 58 7D+1 -0.04046 0.16865 0.01597 -0.07292 -0.08486 59 7D-1 0.28486 -0.24399 -0.16686 -0.04126 -0.08079 60 7D+2 0.01447 -0.17267 0.07601 0.04310 0.12728 61 7D-2 0.00791 -0.11129 -0.11421 0.23023 0.07876 62 8D 0 -0.08641 0.06453 0.01233 0.14306 0.08001 63 8D+1 -0.01362 0.05491 0.00510 -0.02422 -0.02617 64 8D-1 0.09451 -0.07925 -0.05377 -0.01319 -0.02458 65 8D+2 0.00448 -0.05601 0.02325 0.01464 0.04043 66 8D-2 0.00279 -0.03960 -0.03796 0.07533 0.02563 67 4 Cu 1S 0.00000 0.00004 -0.00069 -0.00003 0.00026 68 2S 0.00886 -0.00054 0.00899 0.00049 -0.00561 69 3S 0.09246 -0.00079 0.00964 -0.00068 0.00926 70 4PX -0.00471 0.02635 -0.01455 -0.01074 0.00422 71 4PY 0.01721 -0.00384 -0.02186 0.00138 0.00751 72 4PZ -0.01131 -0.01794 -0.01698 0.00725 0.00486 73 5PX -0.02299 -0.11772 0.06171 0.06673 -0.03300 74 5PY -0.01223 0.01607 0.12405 -0.00853 -0.05427 75 5PZ -0.02690 0.08186 0.06580 -0.04484 -0.03875 76 6PX 0.00359 -0.01860 0.00559 -0.01298 -0.00511 77 6PY -0.05797 0.00288 -0.00715 0.00185 -0.00904 78 6PZ 0.01841 0.01179 0.00918 0.00919 -0.00510 79 7D 0 -0.05182 0.15773 0.15267 -0.11082 -0.05052 80 7D+1 -0.12065 -0.08839 0.19418 0.05516 -0.04060 81 7D-1 0.19412 -0.11394 0.09271 0.02972 -0.02265 82 7D+2 0.05234 -0.03829 0.14595 0.04976 -0.05908 83 7D-2 0.11325 0.19560 0.04731 -0.06949 -0.00347 84 8D 0 -0.01544 0.05032 0.04709 -0.03405 -0.01549 85 8D+1 -0.03732 -0.02779 0.05609 0.01708 -0.01232 86 8D-1 0.06180 -0.03406 0.02840 0.01006 -0.00737 87 8D+2 0.01774 -0.01325 0.04743 0.01491 -0.01834 88 8D-2 0.03576 0.05916 0.01318 -0.02254 -0.00132 89 5 Cu 1S 0.00236 0.00301 0.00233 -0.00032 -0.00033 90 2S -0.04308 -0.03222 -0.01760 -0.00875 -0.00729 91 3S -0.02312 0.10206 0.07329 -0.02834 -0.03138 92 4PX -0.00434 -0.00007 -0.00306 0.00078 -0.00378 93 4PY 0.00462 0.00129 -0.00172 0.00266 -0.00124 94 4PZ 0.00048 0.00692 0.00395 0.00014 -0.00019 95 5PX 0.00584 -0.00391 -0.02052 -0.00407 0.01458 96 5PY 0.00107 0.01815 0.00129 -0.00696 0.00314 97 5PZ -0.01478 0.01209 0.00444 -0.01718 -0.01166 98 6PX -0.00644 -0.00777 -0.01429 0.01154 0.00017 99 6PY 0.02260 0.01496 0.01265 -0.00779 -0.00900 100 6PZ -0.02111 0.01887 0.00430 0.00430 -0.00357 101 7D 0 0.20490 -0.12035 0.02271 0.18872 0.06183 102 7D+1 -0.01336 -0.02579 0.30647 0.04874 -0.11426 103 7D-1 -0.13463 -0.24109 0.03441 -0.00029 -0.09589 104 7D+2 -0.09910 -0.00310 -0.13054 -0.09851 -0.06612 105 7D-2 -0.06148 0.01402 -0.03262 -0.20356 -0.15955 106 8D 0 0.06823 -0.03934 0.00807 0.06252 0.02021 107 8D+1 -0.00328 -0.00790 0.10264 0.01543 -0.03745 108 8D-1 -0.04679 -0.08147 0.00978 -0.00021 -0.03137 109 8D+2 -0.03402 -0.00146 -0.04348 -0.03284 -0.02292 110 8D-2 -0.02259 0.00469 -0.01126 -0.06940 -0.05381 111 6 Cu 1S 0.00349 -0.00004 -0.00041 -0.00002 0.00017 112 2S -0.08404 0.00165 -0.04668 0.00068 -0.02115 113 3S -0.02841 0.00356 -0.19246 -0.00067 -0.03250 114 4PX 0.00467 -0.00063 0.00592 0.00162 0.00118 115 4PY -0.00118 0.00014 -0.00303 -0.00011 -0.00715 116 4PZ 0.00679 0.00010 0.00922 -0.00122 0.00347 117 5PX -0.01186 0.01511 -0.03676 -0.00302 -0.00957 118 5PY 0.01374 -0.00236 -0.00511 -0.00033 0.03610 119 5PZ -0.01965 -0.00888 -0.05179 0.00250 -0.02301 120 6PX 0.00384 -0.00277 -0.01925 0.01579 -0.00751 121 6PY -0.00809 0.00054 -0.00833 -0.00303 0.02486 122 6PZ 0.00742 0.00244 -0.02517 -0.01083 -0.01791 123 7D 0 0.11725 0.12699 0.00011 0.08445 0.32110 124 7D+1 0.13739 -0.04828 -0.19814 -0.04472 0.18542 125 7D-1 0.22929 0.03075 0.31581 0.02456 0.03302 126 7D+2 0.16919 -0.09167 0.22845 -0.07228 0.40294 127 7D-2 0.12610 -0.02324 0.13420 -0.00764 -0.08728 128 8D 0 0.04009 0.03976 -0.00161 0.02687 0.10368 129 8D+1 0.04477 -0.01496 -0.06788 -0.01443 0.06047 130 8D-1 0.07586 0.00995 0.10325 0.00717 0.01041 131 8D+2 0.05862 -0.02903 0.07408 -0.02280 0.12966 132 8D-2 0.04082 -0.00793 0.04373 -0.00150 -0.02811 133 7 Cu 1S 0.00228 -0.00317 0.00225 0.00035 -0.00032 134 2S -0.04194 0.03384 -0.01711 0.00990 -0.00716 135 3S -0.02665 -0.10488 0.06943 0.03209 -0.03087 136 4PX 0.00252 -0.00692 0.00412 -0.00048 0.00076 137 4PY 0.00353 -0.00027 -0.00277 -0.00268 -0.00210 138 4PZ -0.00457 -0.00203 -0.00133 -0.00016 -0.00352 139 5PX -0.01586 -0.01595 0.01001 0.01713 -0.01403 140 5PY 0.00385 -0.01544 -0.00408 0.00499 0.00761 141 5PZ 0.00028 0.00270 -0.01766 0.00782 0.00962 142 6PX -0.01362 -0.02331 0.01045 0.00193 -0.00529 143 6PY 0.02314 -0.01075 0.00825 0.00661 -0.00810 144 6PZ -0.01633 0.00369 -0.01323 -0.01345 -0.00046 145 7D 0 -0.12054 -0.03992 0.06975 0.06220 -0.08940 146 7D+1 0.12674 0.05470 0.27058 -0.11338 -0.07753 147 7D-1 -0.14885 0.07080 -0.07567 0.23488 -0.17680 148 7D+2 0.08201 0.15987 -0.09905 -0.13375 0.04597 149 7D-2 -0.12122 0.19215 0.14336 -0.04748 -0.07032 150 8D 0 -0.03959 -0.01326 0.02363 0.02073 -0.02988 151 8D+1 0.04297 0.01703 0.09080 -0.03665 -0.02548 152 8D-1 -0.05251 0.02433 -0.02620 0.07968 -0.05951 153 8D+2 0.02644 0.05352 -0.03320 -0.04489 0.01481 154 8D-2 -0.04095 0.06498 0.04643 -0.01611 -0.02232 155 8 C 1S -0.01662 0.00031 -0.00385 -0.00007 0.00047 156 2S 0.02902 -0.00043 0.00511 0.00016 -0.00129 157 3S 0.08614 -0.00241 0.03358 0.00024 -0.00262 158 4PX -0.00654 -0.03106 0.01741 0.01573 -0.00628 159 4PY 0.04382 0.00417 0.02414 -0.00219 -0.00658 160 4PZ -0.01946 0.02127 0.02067 -0.01041 -0.00820 161 5PX -0.01241 0.00374 -0.00485 0.00598 -0.00038 162 5PY 0.03022 -0.00089 0.00277 -0.00076 -0.00029 163 5PZ -0.02432 -0.00199 -0.00758 -0.00412 -0.00064 164 9 O 1S 0.00304 -0.00004 0.00025 0.00000 0.00007 165 2S -0.01094 0.00003 0.00044 -0.00002 -0.00005 166 3S -0.00223 0.00034 -0.00421 0.00013 -0.00094 167 4PX 0.00736 0.05325 -0.03458 -0.02691 0.01159 168 4PY -0.03387 -0.00813 -0.02683 0.00409 0.00814 169 4PZ 0.01747 -0.03571 -0.04570 0.01758 0.01599 170 5PX 0.00613 0.02548 -0.01631 -0.01563 0.00645 171 5PY -0.01017 -0.00382 -0.01438 0.00241 0.00462 172 5PZ 0.01036 -0.01719 -0.02119 0.01024 0.00894 56 57 58 59 60 O O O O O EIGENVALUES -- -0.26980 -0.26618 -0.26592 -0.26482 -0.26233 1 1 Cu 1S -0.00003 -0.00007 -0.00203 0.00172 -0.00001 2 2S 0.00045 0.00051 0.01872 -0.05920 0.00103 3 3S -0.00162 -0.00257 -0.07130 -0.01712 0.00248 4 4PX -0.00325 -0.00026 0.00115 -0.00528 -0.00236 5 4PY 0.00052 0.00014 0.00288 -0.00585 0.00050 6 4PZ 0.00231 0.00023 0.00093 -0.00617 0.00184 7 5PX -0.00316 0.01705 0.01101 0.01287 0.02250 8 5PY 0.00073 -0.00268 -0.00402 0.02015 -0.00433 9 5PZ 0.00263 -0.01089 0.01804 0.01336 -0.01666 10 6PX -0.01422 -0.01112 -0.00475 0.01147 0.03097 11 6PY 0.00239 0.00179 0.00557 0.00970 -0.00532 12 6PZ 0.01016 0.00750 -0.00961 0.01309 -0.02172 13 7D 0 0.21390 -0.23839 0.20717 -0.03405 -0.03778 14 7D+1 -0.12213 0.14249 0.35882 0.35812 -0.02356 15 7D-1 -0.22904 0.08104 -0.26985 0.15589 -0.25706 16 7D+2 -0.01284 0.08599 -0.00661 -0.24809 0.13046 17 7D-2 0.37241 -0.20266 -0.14078 0.23945 0.33367 18 8D 0 0.07086 -0.07884 0.06914 -0.01199 -0.01249 19 8D+1 -0.04052 0.04710 0.11758 0.11696 -0.00750 20 8D-1 -0.07653 0.02689 -0.08971 0.05173 -0.08310 21 8D+2 -0.00395 0.02846 -0.00057 -0.08220 0.04229 22 8D-2 0.12428 -0.06722 -0.04753 0.07914 0.10777 23 2 Cu 1S 0.00003 -0.00223 -0.00105 0.00035 0.00013 24 2S -0.00016 -0.00504 -0.00790 -0.02156 -0.01940 25 3S -0.01252 -0.10550 -0.03601 0.00861 0.02035 26 4PX -0.00109 0.00459 0.00693 0.01000 0.00854 27 4PY -0.01019 0.00618 -0.00988 0.00278 -0.00286 28 4PZ -0.00925 0.00463 -0.00991 0.00589 0.00194 29 5PX 0.00540 -0.00471 -0.02075 -0.03780 -0.04404 30 5PY 0.06137 -0.01714 0.04580 -0.01027 0.00726 31 5PZ 0.05409 -0.02733 0.04039 -0.02440 -0.00912 32 6PX 0.00519 0.01628 0.00331 -0.01174 -0.03623 33 6PY 0.04978 0.00526 0.00264 0.00283 0.00355 34 6PZ 0.04881 -0.00842 0.00245 0.00387 -0.01029 35 7D 0 -0.14036 -0.02787 -0.02185 -0.04933 0.09800 36 7D+1 0.14963 0.11081 0.13826 0.09786 0.21183 37 7D-1 0.00012 0.06783 0.00837 -0.00525 -0.09997 38 7D+2 -0.04995 0.03507 0.06199 0.03727 -0.06268 39 7D-2 0.14368 -0.11275 -0.10012 -0.06563 -0.22304 40 8D 0 -0.04577 -0.00797 -0.00828 -0.01499 0.03200 41 8D+1 0.04906 0.03616 0.04324 0.03005 0.06739 42 8D-1 0.00047 0.02297 0.00347 -0.00046 -0.03083 43 8D+2 -0.01642 0.01132 0.01840 0.01177 -0.02162 44 8D-2 0.04698 -0.03584 -0.03212 -0.02063 -0.06855 45 3 Cu 1S -0.00004 0.00213 -0.00124 0.00034 -0.00018 46 2S 0.00028 0.00414 -0.00767 -0.02079 0.02180 47 3S 0.01304 0.10118 -0.04439 0.00694 -0.02133 48 4PX 0.00997 -0.00521 -0.01300 0.00294 0.00154 49 4PY 0.00861 -0.00684 -0.00618 0.00398 0.00126 50 4PZ 0.00285 -0.00442 0.00462 0.01072 -0.00896 51 5PX -0.05956 0.03170 0.05104 -0.01331 -0.00748 52 5PY -0.05226 0.01683 0.03320 -0.01431 0.00120 53 5PZ -0.01554 0.00985 -0.01181 -0.04080 0.04461 54 6PX -0.05347 0.01204 0.00116 0.00748 -0.00299 55 6PY -0.04231 -0.00898 0.00384 0.00010 0.00304 56 6PZ -0.01525 -0.01136 0.00529 -0.00902 0.03702 57 7D 0 -0.06324 -0.10407 0.16487 0.11057 -0.10632 58 7D+1 -0.07670 -0.02140 0.05331 0.01515 -0.18047 59 7D-1 -0.11102 0.06043 -0.07330 -0.04176 0.26381 60 7D+2 0.20083 -0.01963 0.00472 -0.02883 -0.01244 61 7D-2 -0.04189 -0.10753 0.06431 0.03690 -0.02114 62 8D 0 -0.02061 -0.03346 0.05154 0.03415 -0.03182 63 8D+1 -0.02532 -0.00796 0.01601 0.00438 -0.05888 64 8D-1 -0.03648 0.01876 -0.02349 -0.01271 0.08208 65 8D+2 0.06552 -0.00722 0.00053 -0.00807 -0.00341 66 8D-2 -0.01412 -0.03526 0.02177 0.01233 -0.00719 67 4 Cu 1S 0.00000 0.00005 0.00080 0.00071 -0.00002 68 2S 0.00006 -0.00037 -0.00674 -0.01634 0.00065 69 3S 0.00012 0.00273 0.04764 0.09117 -0.00169 70 4PX 0.00030 0.00139 0.00112 0.00067 0.00366 71 4PY -0.00014 -0.00013 0.00128 0.00189 -0.00068 72 4PZ -0.00028 -0.00083 0.00131 0.00034 -0.00236 73 5PX -0.00258 0.00146 -0.00778 -0.01533 -0.01801 74 5PY 0.00099 -0.00007 0.00559 0.01844 0.00199 75 5PZ 0.00238 -0.00197 -0.01179 -0.02496 0.01296 76 6PX -0.00817 0.05267 0.02949 -0.02135 -0.04793 77 6PY 0.00202 -0.00561 0.05929 -0.04873 0.00671 78 6PZ 0.00642 -0.03527 0.03529 -0.01757 0.03298 79 7D 0 -0.00207 0.12488 -0.06637 0.03041 -0.05564 80 7D+1 0.00044 -0.05416 0.03879 -0.01337 0.01914 81 7D-1 -0.01479 0.00251 -0.00960 -0.05686 -0.03553 82 7D+2 0.00807 -0.07377 -0.12398 0.04446 0.04504 83 7D-2 0.02143 0.02983 0.03712 -0.05520 0.03299 84 8D 0 -0.00026 0.03661 -0.01943 0.00891 -0.01556 85 8D+1 -0.00001 -0.01597 0.01044 -0.00322 0.00534 86 8D-1 -0.00416 0.00019 -0.00371 -0.01630 -0.01025 87 8D+2 0.00213 -0.02142 -0.03600 0.01264 0.01269 88 8D-2 0.00610 0.00938 0.00996 -0.01573 0.00959 89 5 Cu 1S 0.00031 -0.00199 0.00148 -0.00005 0.00117 90 2S -0.00409 0.03076 -0.03496 -0.02483 -0.02658 91 3S 0.02293 -0.02771 0.00390 -0.05504 0.00182 92 4PX 0.00258 0.00338 -0.00314 -0.00253 -0.00445 93 4PY 0.00200 -0.00307 0.00330 0.00289 0.00299 94 4PZ 0.00060 -0.00256 0.00280 0.00153 0.00192 95 5PX -0.00046 0.00751 0.01575 0.01187 0.02209 96 5PY 0.00767 0.00131 0.00685 -0.01655 -0.00405 97 5PZ 0.00262 0.00856 -0.00911 -0.01182 0.00309 98 6PX 0.01062 -0.01560 -0.00291 0.01345 0.02893 99 6PY 0.01092 0.00223 -0.01718 0.01146 -0.00482 100 6PZ 0.00510 0.00536 -0.00862 -0.01544 0.00792 101 7D 0 0.09403 0.03932 0.15192 0.07190 0.01834 102 7D+1 0.30778 0.38471 0.05357 -0.22536 -0.24191 103 7D-1 0.20298 -0.22928 0.29199 -0.11774 -0.09966 104 7D+2 0.12950 -0.00849 0.19579 -0.16775 -0.02072 105 7D-2 -0.02180 -0.25670 -0.15644 -0.30396 -0.30449 106 8D 0 0.03152 0.01159 0.05127 0.02320 0.00728 107 8D+1 0.10284 0.12819 0.01758 -0.07376 -0.07923 108 8D-1 0.06821 -0.07636 0.09734 -0.03884 -0.03145 109 8D+2 0.04274 -0.00299 0.06452 -0.05484 -0.00690 110 8D-2 -0.00697 -0.08445 -0.05159 -0.09900 -0.09970 111 6 Cu 1S 0.00000 0.00009 0.00216 -0.00070 -0.00003 112 2S 0.00000 0.00001 -0.00453 -0.00661 0.00128 113 3S -0.00062 0.00357 0.07527 -0.03303 -0.00115 114 4PX -0.00747 -0.01416 0.00215 -0.00306 0.00139 115 4PY 0.00125 0.00211 -0.00082 -0.00926 0.00004 116 4PZ 0.00531 0.01005 0.00178 -0.00253 -0.00097 117 5PX 0.05082 0.06245 -0.00377 0.00646 0.00206 118 5PY -0.00826 -0.00920 0.00609 0.02635 -0.00145 119 5PZ -0.03598 -0.04381 -0.00024 0.00403 -0.00196 120 6PX 0.05485 0.01035 0.00590 -0.00034 0.00922 121 6PY -0.00878 -0.00121 0.01340 -0.00979 -0.00209 122 6PZ -0.03852 -0.00660 0.00665 0.00116 -0.00694 123 7D 0 0.14312 0.01234 0.09649 -0.12684 0.06547 124 7D+1 -0.05107 0.00609 0.10600 -0.07373 -0.02416 125 7D-1 0.08983 0.03598 0.08738 -0.05301 0.01251 126 7D+2 -0.11816 -0.01737 0.11682 -0.17907 -0.03242 127 7D-2 -0.08465 -0.04217 0.04202 0.00933 0.00892 128 8D 0 0.04687 0.00493 0.03119 -0.04036 0.02005 129 8D+1 -0.01664 0.00149 0.03428 -0.02436 -0.00768 130 8D-1 0.03016 0.01111 0.02846 -0.01643 0.00172 131 8D+2 -0.03899 -0.00584 0.03795 -0.05619 -0.00898 132 8D-2 -0.02874 -0.01263 0.01368 0.00299 0.00578 133 7 Cu 1S -0.00028 0.00211 0.00127 -0.00010 -0.00124 134 2S 0.00380 -0.03374 -0.03156 -0.02375 0.02924 135 3S -0.02125 0.02707 0.00059 -0.05559 0.00170 136 4PX -0.00012 0.00437 0.00378 0.00265 -0.00413 137 4PY -0.00231 0.00218 0.00202 0.00199 -0.00206 138 4PZ -0.00225 -0.00289 -0.00210 -0.00211 0.00403 139 5PX -0.00375 -0.00684 -0.01142 -0.01792 0.00627 140 5PY -0.00690 -0.00080 0.01092 -0.01195 0.00152 141 5PZ 0.00026 -0.00859 0.01110 0.00876 -0.02246 142 6PX -0.00326 -0.01142 -0.00966 -0.01621 0.00390 143 6PY -0.01195 0.00068 -0.01623 0.01596 0.00107 144 6PZ -0.01011 0.01282 -0.00500 0.00454 -0.02995 145 7D 0 -0.21786 -0.26123 0.16161 -0.18749 0.08279 146 7D+1 -0.22546 -0.26829 0.04717 -0.13876 0.22972 147 7D-1 -0.06338 0.33236 -0.00748 -0.35016 0.30591 148 7D+2 -0.11639 0.11112 0.31305 0.06933 -0.12505 149 7D-2 -0.19602 0.06802 0.22568 -0.04687 0.03981 150 8D 0 -0.07229 -0.08724 0.05283 -0.06127 0.02773 151 8D+1 -0.07560 -0.08882 0.01612 -0.04551 0.07458 152 8D-1 -0.02140 0.10976 -0.00221 -0.11426 0.09987 153 8D+2 -0.03874 0.03848 0.10424 0.02222 -0.04222 154 8D-2 -0.06590 0.02254 0.07508 -0.01570 0.01232 155 8 C 1S 0.00001 0.00008 0.00106 0.00010 0.00026 156 2S -0.00001 -0.00003 -0.00147 -0.00250 -0.00048 157 3S -0.00003 -0.00066 -0.00389 0.00628 -0.00179 158 4PX -0.00111 -0.00784 -0.00485 0.00099 -0.00131 159 4PY 0.00024 0.00086 -0.00707 -0.00044 -0.00043 160 4PZ 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-0.00885 -0.00551 0.00120 -0.00043 7 5PX 0.01727 0.03774 0.02204 0.00353 0.00117 8 5PY 0.00773 0.03855 -0.01506 0.00188 -0.00084 9 5PZ 0.02356 0.04496 0.03409 -0.00473 0.00020 10 6PX 0.01325 0.01263 0.00751 0.00815 0.00018 11 6PY -0.00200 0.02104 0.00496 -0.00095 -0.00025 12 6PZ 0.02012 0.01302 0.00827 -0.00643 0.00034 13 7D 0 0.07419 0.03053 0.24623 0.06211 -0.01302 14 7D+1 0.34184 0.06664 0.04766 -0.05239 -0.01647 15 7D-1 0.12503 0.50428 0.12877 -0.07017 -0.14989 16 7D+2 -0.07246 0.17244 0.39950 -0.03821 0.08670 17 7D-2 0.14297 0.31344 -0.01540 0.13643 0.20447 18 8D 0 0.02376 0.01091 0.08126 0.02122 -0.00635 19 8D+1 0.11178 0.02281 0.01611 -0.01741 -0.00446 20 8D-1 0.04147 0.16394 0.04199 -0.02207 -0.04908 21 8D+2 -0.02434 0.05697 0.13121 -0.01341 0.02948 22 8D-2 0.04740 0.10174 -0.00537 0.04358 0.06633 23 2 Cu 1S 0.00025 0.00242 0.00033 -0.00092 0.00089 24 2S -0.00913 -0.07082 0.02955 0.03072 0.01544 25 3S 0.01255 0.06546 0.04463 -0.00653 0.07040 26 4PX 0.00209 -0.00524 0.00349 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-0.06756 0.02398 -0.03893 -0.01675 47 3S 0.01294 0.06545 0.04895 0.00203 -0.06682 48 4PX 0.00030 0.00025 -0.00305 0.00140 -0.00981 49 4PY 0.00068 -0.00137 -0.00343 0.00330 -0.00559 50 4PZ 0.00241 -0.00547 0.00339 -0.00217 -0.00528 51 5PX 0.01329 0.02747 0.02400 -0.01081 0.03547 52 5PY 0.00333 -0.00813 0.01963 -0.02900 0.02960 53 5PZ -0.01061 0.02879 -0.00774 0.01443 0.02035 54 6PX 0.00786 0.01044 0.00334 0.00658 -0.00077 55 6PY 0.00618 -0.01344 -0.00543 -0.00596 0.00648 56 6PZ -0.01710 0.01299 -0.00034 0.01022 0.00079 57 7D 0 0.07388 -0.04897 -0.04191 0.04136 0.06927 58 7D+1 0.07783 -0.11873 -0.09282 -0.13112 -0.05654 59 7D-1 -0.08345 0.16823 -0.12452 0.12187 0.14512 60 7D+2 -0.12772 -0.07434 -0.19067 0.27471 -0.25751 61 7D-2 0.05850 0.13039 -0.06825 0.14969 0.23774 62 8D 0 0.02168 -0.01330 -0.01345 0.01471 0.02232 63 8D+1 0.02227 -0.03766 -0.02970 -0.04188 -0.01727 64 8D-1 -0.02815 0.05225 -0.03949 0.03887 0.04729 65 8D+2 -0.03950 -0.02384 -0.06065 0.08710 -0.08318 66 8D-2 0.01850 0.03992 -0.02225 0.04644 0.07633 67 4 Cu 1S -0.00031 -0.00015 -0.00027 0.00002 -0.00003 68 2S 0.00248 -0.02693 0.01031 -0.00152 -0.00031 69 3S -0.02355 -0.01123 0.00710 -0.00014 -0.00007 70 4PX 0.00260 -0.00312 0.00959 -0.00759 0.00576 71 4PY 0.00450 0.01520 0.00774 0.00078 -0.00048 72 4PZ 0.00296 -0.00825 0.01357 0.00336 -0.00401 73 5PX -0.00474 0.00382 -0.03471 0.00513 -0.03150 74 5PY -0.02179 -0.01197 -0.04843 0.00340 0.00342 75 5PZ -0.00267 0.00780 -0.04123 0.00202 0.02109 76 6PX -0.01709 0.01173 0.00671 -0.03312 0.00365 77 6PY -0.02943 0.01574 0.01841 0.00415 -0.00075 78 6PZ -0.01911 0.01257 0.01087 0.02280 -0.00269 79 7D 0 0.00786 -0.02794 0.00541 -0.01449 0.05069 80 7D+1 -0.05724 -0.02358 0.17422 -0.00800 -0.00867 81 7D-1 -0.01105 0.12541 0.01763 0.00477 0.08284 82 7D+2 0.04608 0.01171 -0.09712 0.01342 -0.06226 83 7D-2 -0.03033 0.08596 0.06498 -0.00991 -0.09374 84 8D 0 0.00155 -0.00898 0.00046 -0.00482 0.01479 85 8D+1 -0.01703 -0.01009 0.04904 -0.00169 -0.00253 86 8D-1 -0.00343 0.03875 0.00350 0.00351 0.02439 87 8D+2 0.01241 0.00490 -0.02946 0.00357 -0.01821 88 8D-2 -0.00872 0.02593 0.01754 -0.00562 -0.02751 89 5 Cu 1S -0.00100 0.00029 0.00005 -0.00031 -0.00078 90 2S 0.02830 -0.02770 0.04374 0.03401 -0.01089 91 3S 0.03051 -0.03743 0.07835 0.09749 -0.02799 92 4PX 0.00159 -0.00126 0.00599 0.00404 -0.00062 93 4PY -0.00571 0.00422 -0.00485 -0.00630 0.00211 94 4PZ -0.00358 0.00176 -0.00238 -0.00642 -0.00260 95 5PX 0.00389 0.00403 -0.02610 -0.02462 0.00410 96 5PY 0.03125 -0.01522 0.02554 0.03259 -0.01356 97 5PZ 0.01314 -0.00595 0.00018 0.03263 0.01941 98 6PX 0.01219 0.00016 -0.01629 0.00178 -0.00414 99 6PY 0.02657 -0.01446 0.00292 0.00936 -0.01298 100 6PZ 0.00882 -0.00316 0.00450 0.01727 0.00152 101 7D 0 -0.10473 -0.02777 0.31212 0.00519 -0.24248 102 7D+1 -0.05986 0.03448 0.13534 0.03192 0.23025 103 7D-1 -0.24472 0.29887 -0.21837 -0.37449 0.11457 104 7D+2 0.20196 0.06919 -0.01856 0.02117 -0.04536 105 7D-2 0.27550 0.00731 0.00893 0.27578 0.04264 106 8D 0 -0.03455 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126 7D+2 0.20865 0.00596 -0.06861 0.08243 0.16734 127 7D-2 0.12603 -0.00738 -0.02220 -0.00785 0.19300 128 8D 0 0.04084 0.00098 -0.03374 -0.03902 -0.05926 129 8D+1 0.04317 -0.00774 -0.04289 0.02031 0.01449 130 8D-1 0.07622 -0.00081 -0.01201 -0.00509 -0.05282 131 8D+2 0.06434 0.00155 -0.02012 0.02546 0.05423 132 8D-2 0.04012 -0.00260 -0.00703 -0.00329 0.06264 133 7 Cu 1S -0.00096 0.00024 0.00009 0.00032 0.00078 134 2S 0.02702 -0.02428 0.03606 -0.04236 0.01016 135 3S 0.02928 -0.03035 0.05925 -0.11056 0.02539 136 4PX -0.00471 0.00218 -0.00354 0.00939 0.00204 137 4PY -0.00461 0.00326 -0.00217 0.00509 -0.00220 138 4PZ 0.00087 -0.00086 0.00488 -0.00329 0.00170 139 5PX 0.01635 -0.00643 0.00623 -0.04683 -0.01550 140 5PY 0.02896 -0.01165 0.01454 -0.02581 0.01502 141 5PZ 0.00475 0.00210 -0.02408 0.02019 -0.01213 142 6PX 0.00931 -0.00451 0.00673 -0.01892 -0.00081 143 6PY 0.02694 -0.01325 -0.00267 -0.00783 0.01349 144 6PZ 0.01154 0.00049 -0.01440 -0.00416 0.00160 145 7D 0 0.10328 0.05503 -0.01678 0.00456 -0.15910 146 7D+1 -0.08704 -0.00988 0.27044 -0.15134 -0.06273 147 7D-1 0.21875 0.15404 -0.12637 -0.08658 -0.06798 148 7D+2 -0.10540 0.07906 0.13113 0.17316 0.24272 149 7D-2 -0.32541 0.23309 -0.14997 0.44838 -0.20394 150 8D 0 0.03426 0.01822 -0.00515 0.00142 -0.05076 151 8D+1 -0.02783 -0.00319 0.08894 -0.04983 -0.02114 152 8D-1 0.07119 0.04979 -0.04043 -0.02886 -0.02176 153 8D+2 -0.03494 0.02599 0.04369 0.05562 0.08111 154 8D-2 -0.10569 0.07550 -0.04847 0.14657 -0.06794 155 8 C 1S 0.00043 -0.01859 0.00878 -0.00126 -0.00032 156 2S -0.00045 0.03909 -0.02049 0.00288 0.00062 157 3S -0.00679 0.09393 -0.03669 0.00543 0.00174 158 4PX -0.00112 -0.00701 -0.00187 0.00710 -0.00025 159 4PY -0.00191 0.04909 -0.02792 0.00252 0.00084 160 4PZ -0.00135 -0.02191 0.00268 -0.00578 -0.00031 161 5PX 0.00204 -0.00138 -0.00076 0.00884 -0.00051 162 5PY -0.00222 0.01107 -0.00755 -0.00022 0.00028 163 5PZ 0.00349 -0.00444 -0.00051 -0.00631 0.00029 164 9 O 1S 0.00029 0.00294 -0.00097 0.00014 0.00006 165 2S -0.00048 -0.00906 0.00382 -0.00056 -0.00015 166 3S -0.00246 -0.01053 -0.00008 0.00004 -0.00030 167 4PX 0.00403 0.00220 0.01062 -0.01615 0.00144 168 4PY 0.00211 -0.03321 0.02220 -0.00021 -0.00079 169 4PZ 0.00559 0.01103 0.01265 0.00960 -0.00064 170 5PX 0.00186 0.00087 0.00632 -0.01060 0.00102 171 5PY 0.00224 -0.01402 0.00861 0.00061 -0.00044 172 5PZ 0.00233 0.00438 0.00881 0.00626 -0.00054 66 67 68 69 70 O O O O O EIGENVALUES -- -0.25748 -0.25739 -0.25299 -0.25190 -0.25144 1 1 Cu 1S -0.00001 0.00034 0.00023 0.00000 0.00013 2 2S -0.00147 0.02030 0.03279 -0.00042 0.01262 3 3S 0.00243 -0.01279 0.02553 -0.00041 0.02199 4 4PX 0.00003 0.00091 0.00490 0.00652 0.00319 5 4PY 0.00028 -0.00407 -0.00660 -0.00092 -0.00239 6 4PZ -0.00014 0.00219 0.00835 -0.00480 0.00473 7 5PX -0.00360 0.00149 -0.01470 -0.03518 -0.01112 8 5PY -0.00194 0.03166 0.03460 0.00491 0.01144 9 5PZ 0.00205 -0.00430 -0.02810 0.02530 -0.01661 10 6PX 0.01220 -0.00727 -0.00524 -0.00508 -0.00897 11 6PY -0.00320 0.01548 0.00925 0.00055 0.00751 12 6PZ -0.00702 -0.01600 -0.00925 0.00410 -0.01401 13 7D 0 0.07503 -0.09259 -0.22089 0.37281 -0.11538 14 7D+1 -0.05346 0.07233 -0.16474 -0.14793 -0.25839 15 7D-1 -0.09682 0.03212 0.02311 0.05258 0.08099 16 7D+2 0.01405 -0.19820 -0.25073 -0.21341 -0.00835 17 7D-2 0.13926 0.12031 0.07645 0.02208 0.02913 18 8D 0 0.02351 -0.03033 -0.07271 0.12332 -0.03790 19 8D+1 -0.01711 0.02322 -0.05394 -0.04882 -0.08407 20 8D-1 -0.03223 0.01048 0.00691 0.01827 0.02586 21 8D+2 0.00530 -0.06424 -0.08293 -0.07094 -0.00355 22 8D-2 0.04609 0.03918 0.02480 0.00613 0.00935 23 2 Cu 1S -0.00120 -0.00124 -0.00252 0.00228 -0.00108 24 2S 0.00245 0.01556 0.01664 0.02561 -0.01277 25 3S -0.05999 -0.05898 -0.07089 0.09722 -0.03791 26 4PX -0.00276 -0.00012 0.00159 -0.01111 0.00707 27 4PY 0.00563 0.00212 0.00115 -0.00063 -0.00489 28 4PZ 0.00069 -0.00200 -0.00344 -0.00393 -0.00215 29 5PX 0.01003 0.00714 -0.00198 0.04460 -0.02908 30 5PY -0.00785 0.00562 0.00885 -0.00361 0.01567 31 5PZ -0.00867 0.00497 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-0.00688 -0.00990 -0.00017 -0.00113 72 4PZ 0.00870 0.00484 0.01317 -0.00119 -0.00211 73 5PX 0.04940 0.01537 -0.02382 -0.01658 0.00991 74 5PY -0.00993 0.02913 0.01781 0.00240 0.00973 75 5PZ -0.03583 0.00800 -0.03605 0.01148 0.01248 76 6PX -0.01938 0.01750 -0.00703 -0.02679 0.00915 77 6PY -0.00077 0.03520 0.01984 0.00336 0.01624 78 6PZ 0.01040 0.02030 -0.01417 0.01855 0.00968 79 7D 0 -0.08720 -0.00569 0.04457 0.01557 0.00124 80 7D+1 0.02366 -0.02002 0.12678 -0.00266 -0.02974 81 7D-1 -0.08797 -0.09300 -0.24859 0.03129 -0.00111 82 7D+2 0.08839 -0.00438 -0.09289 -0.02041 0.02073 83 7D-2 0.11199 -0.05361 -0.13694 -0.03517 -0.01102 84 8D 0 -0.02606 -0.00177 0.01344 0.00511 0.00079 85 8D+1 0.00736 -0.00639 0.03953 -0.00101 -0.00911 86 8D-1 -0.02470 -0.02933 -0.07821 0.00937 -0.00015 87 8D+2 0.02580 -0.00173 -0.02999 -0.00633 0.00707 88 8D-2 0.03154 -0.01727 -0.04282 -0.01037 -0.00346 89 5 Cu 1S 0.00042 0.00002 0.00013 -0.00022 -0.00010 90 2S 0.03434 0.02279 0.03330 -0.01011 -0.00935 91 3S 0.06160 0.06450 0.03237 -0.02386 -0.02239 92 4PX 0.00194 0.00386 0.00444 -0.00076 -0.00645 93 4PY -0.00593 -0.00256 -0.00860 0.00543 -0.00090 94 4PZ 0.00083 -0.00478 0.00720 -0.00273 -0.00211 95 5PX -0.01459 -0.02076 -0.01444 -0.00133 0.03465 96 5PY 0.02949 0.01116 0.03373 -0.02339 0.00806 97 5PZ -0.01591 0.02700 -0.04098 0.01351 0.01118 98 6PX -0.00247 -0.01148 -0.00517 0.00881 0.01174 99 6PY 0.00877 -0.00639 0.00753 -0.01724 -0.00440 100 6PZ -0.00183 0.01083 -0.00887 0.00952 0.00463 101 7D 0 0.40449 0.08275 0.35683 -0.08725 -0.03152 102 7D+1 0.01707 0.37867 -0.11506 0.01417 0.05537 103 7D-1 0.01200 -0.11440 0.06054 -0.09810 -0.08998 104 7D+2 -0.03432 -0.03092 0.10558 -0.25095 0.27661 105 7D-2 0.03638 -0.01240 0.16779 -0.16747 -0.25322 106 8D 0 0.13327 0.02697 0.11785 -0.02924 -0.01076 107 8D+1 0.00442 0.12155 -0.03767 0.00481 0.01766 108 8D-1 0.00478 -0.03754 0.01979 -0.03118 -0.02981 109 8D+2 -0.01284 -0.00938 0.03476 -0.08275 0.09196 110 8D-2 0.01295 -0.00358 0.05485 -0.05440 -0.08293 111 6 Cu 1S 0.00010 -0.00095 -0.00244 -0.00002 0.00271 112 2S -0.00495 0.05591 0.01680 -0.00059 0.02010 113 3S -0.00204 0.03743 -0.07193 -0.00142 0.09981 114 4PX 0.00967 0.00084 -0.00166 0.00290 0.00268 115 4PY -0.00080 -0.00809 0.00021 -0.00063 0.01479 116 4PZ -0.00694 0.00087 -0.00225 -0.00203 0.00056 117 5PX -0.05239 -0.00976 -0.00474 -0.00512 -0.00429 118 5PY 0.00472 0.03957 0.00314 0.00157 -0.06593 119 5PZ 0.03883 -0.01151 -0.00845 0.00344 0.00782 120 6PX -0.00624 -0.00189 -0.00361 0.00900 0.00537 121 6PY -0.00131 0.02544 0.00303 -0.00135 -0.00313 122 6PZ 0.00529 -0.00663 -0.00603 -0.00656 0.00810 123 7D 0 -0.35395 0.12579 -0.04054 0.00820 -0.08907 124 7D+1 0.11108 0.36855 -0.18766 0.00728 0.24909 125 7D-1 -0.00596 -0.35294 0.03536 0.08386 0.18967 126 7D+2 0.20276 -0.06177 0.06375 -0.03768 -0.25668 127 7D-2 -0.02167 -0.18577 -0.01536 -0.11969 0.24407 128 8D 0 -0.11352 0.04077 -0.01349 0.00339 -0.02822 129 8D+1 0.03577 0.11594 -0.06091 0.00194 0.08017 130 8D-1 -0.00246 -0.11161 0.01010 0.02654 0.06225 131 8D+2 0.06491 -0.01704 0.01974 -0.01236 -0.08153 132 8D-2 -0.00642 -0.05940 -0.00568 -0.03771 0.07907 133 7 Cu 1S -0.00043 -0.00003 0.00013 0.00023 -0.00010 134 2S -0.03813 0.01738 0.03370 0.00965 -0.00882 135 3S -0.07290 0.05454 0.03410 0.02428 -0.02164 136 4PX 0.00214 -0.00587 0.00358 0.00118 -0.00008 137 4PY 0.00557 -0.00026 -0.00860 -0.00528 -0.00192 138 4PZ -0.00332 0.00186 0.00794 0.00244 -0.00641 139 5PX -0.00188 0.03356 -0.02687 -0.00793 0.00089 140 5PY -0.02811 -0.00098 0.03648 0.02402 0.01342 141 5PZ 0.02516 -0.00797 -0.03316 -0.00722 0.03417 142 6PX -0.00313 0.01207 -0.00523 -0.00246 -0.00034 143 6PY -0.00619 -0.01043 0.00810 0.01643 -0.00236 144 6PZ 0.00547 -0.00519 -0.00921 -0.01421 0.01285 145 7D 0 0.12067 0.19418 -0.14662 0.09282 0.30608 146 7D+1 -0.31503 0.29358 0.12252 0.00325 -0.10041 147 7D-1 0.03003 -0.08802 0.18439 0.25770 -0.15708 148 7D+2 -0.24979 -0.12306 0.32390 0.16741 0.13345 149 7D-2 0.08295 -0.01733 -0.12875 -0.04323 -0.06116 150 8D 0 0.04202 0.06321 -0.04821 0.03066 0.10114 151 8D+1 -0.10300 0.09411 0.04060 0.00114 -0.03381 152 8D-1 0.00899 -0.02815 0.06026 0.08379 -0.05108 153 8D+2 -0.08210 -0.03951 0.10693 0.05540 0.04407 154 8D-2 0.02692 -0.00672 -0.04243 -0.01515 -0.02068 155 8 C 1S -0.00093 0.01024 0.02486 -0.00018 -0.00118 156 2S 0.00212 -0.02217 -0.05209 0.00039 0.00231 157 3S 0.00373 -0.04571 -0.12644 0.00087 0.00702 158 4PX 0.00631 0.00182 0.00260 0.00064 0.00069 159 4PY 0.00157 -0.02899 -0.06940 0.00041 0.00385 160 4PZ -0.00529 0.00876 0.02141 -0.00059 0.00016 161 5PX 0.00534 -0.00209 -0.00473 0.00613 -0.00164 162 5PY 0.00047 -0.01248 -0.00283 -0.00070 -0.00373 163 5PZ -0.00350 -0.00073 -0.00576 -0.00420 -0.00152 164 9 O 1S 0.00012 -0.00155 -0.00539 0.00003 0.00022 165 2S -0.00048 0.00527 0.01431 -0.00011 -0.00025 166 3S 0.00009 0.00270 0.02903 -0.00004 -0.00278 167 4PX -0.01277 0.00203 0.00354 -0.00257 -0.00178 168 4PY 0.00030 0.02043 0.05306 0.00000 -0.00346 169 4PZ 0.00858 -0.00056 -0.00885 0.00170 -0.00191 170 5PX -0.00837 0.00180 0.00460 -0.00273 -0.00049 171 5PY 0.00073 0.00815 0.02148 0.00028 -0.00161 172 5PZ 0.00537 0.00167 0.00076 0.00178 -0.00039 71 72 73 74 75 O O O V V EIGENVALUES -- -0.24747 -0.20592 -0.20379 -0.10064 -0.08062 1 1 Cu 1S 0.00000 0.00011 -0.00001 -0.00620 0.00724 2 2S 0.00026 0.34080 -0.00621 -0.16995 0.13919 3 3S 0.00013 0.11347 -0.00256 -0.14229 0.09565 4 4PX 0.00845 0.00933 0.01617 0.01250 -0.02301 5 4PY -0.00130 0.00306 -0.00254 -0.01061 -0.02237 6 4PZ -0.00592 0.01208 -0.01166 0.01999 -0.02863 7 5PX -0.03493 -0.00615 -0.04671 -0.06000 0.09446 8 5PY 0.00540 0.01864 0.00683 0.02473 0.12053 9 5PZ 0.02446 -0.01104 0.03306 -0.09026 0.11190 10 6PX -0.01399 0.02241 -0.01004 -0.00850 0.08531 11 6PY 0.00205 -0.01894 0.00152 -0.04430 -0.01959 12 6PZ 0.00993 0.03644 0.00642 -0.00256 0.12582 13 7D 0 0.21544 -0.00932 0.08189 -0.03674 0.00815 14 7D+1 -0.08104 -0.00077 -0.02562 -0.04791 0.03432 15 7D-1 0.08014 0.03369 0.06682 0.02171 0.03190 16 7D+2 -0.14861 -0.00797 -0.07200 -0.02224 -0.00172 17 7D-2 -0.05446 0.02419 -0.07298 0.01736 0.02786 18 8D 0 0.07075 -0.00116 0.02806 -0.01183 0.00399 19 8D+1 -0.02658 0.00439 -0.00901 -0.01575 0.01200 20 8D-1 0.02657 0.01515 0.02186 0.00546 0.01062 21 8D+2 -0.04890 -0.00146 -0.02427 -0.00736 0.00123 22 8D-2 -0.01822 0.01099 -0.02367 0.00454 0.00877 23 2 Cu 1S 0.00003 -0.00011 0.00030 0.00501 0.00231 24 2S -0.00239 0.10104 -0.19544 0.15784 -0.07578 25 3S 0.00479 -0.03126 0.03261 0.08797 0.15230 26 4PX 0.00254 -0.00890 0.01640 0.03641 -0.02600 27 4PY -0.00378 -0.03446 -0.02515 -0.02105 -0.01126 28 4PZ -0.00170 -0.03794 -0.01271 0.02813 0.02284 29 5PX -0.01059 0.02951 -0.05406 -0.10753 0.07233 30 5PY 0.02148 0.09371 0.05025 0.06531 0.01109 31 5PZ 0.01412 0.08554 0.04371 -0.09036 -0.04854 32 6PX -0.00128 0.02250 -0.03535 0.01337 0.04409 33 6PY 0.01616 0.03806 -0.00727 0.05453 0.06450 34 6PZ 0.01729 0.01807 0.01986 0.00071 0.03378 35 7D 0 -0.14754 -0.19107 -0.03894 0.04394 -0.01247 36 7D+1 -0.18885 0.00602 0.07443 -0.00509 -0.04149 37 7D-1 -0.01212 -0.03746 0.03308 -0.03520 -0.06512 38 7D+2 -0.13502 -0.04486 -0.13071 -0.07812 0.00571 39 7D-2 -0.20948 0.06674 -0.03678 -0.00191 0.01746 40 8D 0 -0.04730 -0.06379 -0.01313 0.01427 -0.00389 41 8D+1 -0.05910 0.00191 0.02812 -0.00461 -0.01120 42 8D-1 -0.00396 -0.01196 0.01066 -0.01304 -0.01960 43 8D+2 -0.04347 -0.01505 -0.04325 -0.02583 0.00179 44 8D-2 -0.06615 0.02524 -0.01468 0.00217 0.00425 45 3 Cu 1S -0.00003 -0.00013 -0.00035 0.00503 0.00259 46 2S 0.00248 0.10769 0.19167 0.16023 -0.06777 47 3S -0.00508 -0.03287 -0.03139 0.08797 0.15714 48 4PX 0.00311 -0.03828 0.02333 0.01035 0.02819 49 4PY 0.00291 -0.02908 0.02043 -0.01699 -0.01984 50 4PZ -0.00250 -0.01713 -0.01366 0.04646 -0.01468 51 5PX -0.02085 0.08570 -0.07071 -0.03687 -0.06942 52 5PY -0.01680 0.08340 -0.03487 0.05458 0.03462 53 5PZ 0.00870 0.04547 0.04034 -0.13971 0.05004 54 6PX -0.01956 0.01596 -0.02807 0.00473 0.02489 55 6PY -0.01279 0.03928 0.01596 0.05513 0.06729 56 6PZ -0.00245 0.02290 0.02431 0.00539 0.04533 57 7D 0 0.11152 0.02088 0.03426 -0.06971 -0.01379 58 7D+1 0.23673 -0.07558 -0.05521 0.04346 -0.03211 59 7D-1 0.21103 0.04821 0.06180 -0.04373 -0.00422 60 7D+2 0.07107 -0.18868 0.09801 -0.01525 -0.02095 61 7D-2 -0.07086 0.00154 -0.09863 -0.02143 -0.07055 62 8D 0 0.03532 0.00608 0.00877 -0.02513 -0.00314 63 8D+1 0.07453 -0.02469 -0.02022 0.01274 -0.00902 64 8D-1 0.06698 0.01900 0.02286 -0.01228 -0.00214 65 8D+2 0.02352 -0.06358 0.03302 -0.00563 -0.00646 66 8D-2 -0.02276 0.00018 -0.03388 -0.00966 -0.02064 67 4 Cu 1S 0.00000 -0.00032 0.00002 -0.00434 -0.00734 68 2S 0.00001 0.00411 -0.00029 -0.16833 -0.22716 69 3S 0.00005 0.00194 -0.00002 0.02980 0.17999 70 4PX 0.00142 -0.02329 0.04473 -0.00993 -0.02186 71 4PY -0.00025 -0.03988 -0.00603 0.00337 -0.00386 72 4PZ -0.00101 -0.02626 -0.03057 -0.01441 -0.02827 73 5PX -0.00319 0.06326 -0.12111 0.04791 0.08695 74 5PY 0.00056 0.11173 0.01632 -0.02473 0.02364 75 5PZ 0.00227 0.07077 0.08290 0.07126 0.10963 76 6PX 0.00643 -0.03046 0.04875 -0.02150 -0.03400 77 6PY -0.00119 -0.05860 -0.00683 -0.09595 -0.11689 78 6PZ -0.00475 -0.03350 -0.03391 -0.01094 -0.02656 79 7D 0 0.01101 0.05083 0.08762 -0.05568 -0.04909 80 7D+1 -0.00395 -0.00826 -0.03548 -0.09638 -0.03840 81 7D-1 0.00587 0.00810 0.01570 0.12944 -0.04781 82 7D+2 -0.00819 0.08846 -0.05544 0.01166 -0.07484 83 7D-2 -0.00585 -0.02291 0.00091 0.08048 -0.01004 84 8D 0 0.00331 0.01937 0.03089 -0.01377 -0.01019 85 8D+1 -0.00119 0.00128 -0.01322 -0.02625 -0.00748 86 8D-1 0.00161 0.00396 0.00168 0.04011 -0.00884 87 8D+2 -0.00240 0.03110 -0.01786 0.00713 -0.01575 88 8D-2 -0.00154 -0.00667 0.00563 0.02398 -0.00132 89 5 Cu 1S -0.00006 0.00010 -0.00012 -0.00485 0.00778 90 2S -0.00779 -0.17896 -0.28764 -0.15778 0.12672 91 3S -0.00888 -0.04536 -0.09667 -0.12684 0.09958 92 4PX -0.00955 -0.01855 0.00207 0.01303 -0.01304 93 4PY -0.00607 -0.00260 0.01699 -0.02220 0.01733 94 4PZ -0.00171 -0.00131 0.00242 0.01961 0.04278 95 5PX 0.04193 0.03948 -0.02347 -0.06126 0.05307 96 5PY 0.02597 0.02428 -0.02517 0.09689 -0.07154 97 5PZ 0.00777 0.01810 0.01371 -0.05345 -0.17452 98 6PX 0.01179 -0.00381 -0.02594 -0.01760 0.06079 99 6PY 0.01002 0.02545 0.01821 0.04666 -0.04082 100 6PZ 0.00036 -0.00649 -0.00892 -0.01303 -0.08498 101 7D 0 -0.03559 -0.02228 0.00736 0.04825 0.03359 102 7D+1 0.01258 -0.04319 0.06052 -0.03111 -0.05165 103 7D-1 -0.05546 -0.07361 0.00484 0.02953 0.02635 104 7D+2 0.35724 0.09501 -0.07460 0.01764 -0.02111 105 7D-2 -0.10526 -0.02731 0.01705 0.04954 -0.02984 106 8D 0 -0.01182 -0.00621 0.00394 0.01661 0.00953 107 8D+1 0.00365 -0.01265 0.02134 -0.00903 -0.01600 108 8D-1 -0.01895 -0.02615 -0.00138 0.00812 0.00911 109 8D+2 0.11727 0.03310 -0.02385 0.00616 -0.00587 110 8D-2 -0.03452 -0.00681 0.01001 0.01674 -0.00966 111 6 Cu 1S -0.00001 0.00136 -0.00004 0.00527 0.00693 112 2S -0.00004 -0.21572 0.00447 0.20266 0.05639 113 3S 0.00025 0.04549 -0.00027 0.09409 0.26865 114 4PX -0.00280 0.00108 0.04510 0.00785 0.02936 115 4PY 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0.01057 -0.00002 0.00561 65 8D+2 0.00082 0.02098 0.01215 -0.00290 0.00658 66 8D-2 0.00615 -0.00289 -0.00924 0.00506 0.00958 67 4 Cu 1S -0.00002 -0.00315 -0.00010 0.00064 0.00338 68 2S -0.00047 -0.05479 -0.00194 -0.02377 0.10548 69 3S -0.00200 -0.18636 -0.00828 -0.40184 0.25650 70 4PX 0.00299 0.02989 0.04323 -0.00098 0.00359 71 4PY -0.00050 0.02981 -0.00701 -0.00412 -0.00539 72 4PZ -0.00182 0.03574 -0.03007 -0.00011 0.00613 73 5PX -0.01519 -0.07225 -0.08680 0.00910 -0.03213 74 5PY 0.00214 -0.07089 0.01394 -0.04066 0.12335 75 5PZ 0.01030 -0.08583 0.05959 0.02302 -0.07500 76 6PX 0.26933 0.14699 0.29211 0.20844 0.21818 77 6PY -0.04124 -0.01181 -0.04827 -0.36489 0.15283 78 6PZ -0.18882 0.21447 -0.19846 0.39128 0.26152 79 7D 0 0.00527 -0.05583 0.08021 0.01548 0.00489 80 7D+1 -0.00552 -0.02641 -0.03800 0.01683 0.03214 81 7D-1 -0.02407 -0.00778 -0.02120 -0.01170 -0.07704 82 7D+2 0.00812 -0.07698 -0.03165 0.01194 -0.03891 83 7D-2 0.03524 0.01551 0.05076 -0.01106 -0.03897 84 8D 0 -0.00471 -0.01451 0.01997 0.00177 0.00175 85 8D+1 0.00135 -0.00760 -0.00948 0.00035 0.00863 86 8D-1 -0.00490 -0.00036 -0.00496 0.00446 -0.02006 87 8D+2 0.00441 -0.01910 -0.00804 0.00444 -0.00949 88 8D-2 0.00576 0.00488 0.01238 0.00169 -0.01034 89 5 Cu 1S -0.00704 -0.00043 0.00094 0.00041 -0.00467 90 2S -0.03563 0.06743 -0.10941 -0.04356 -0.07156 91 3S -0.16492 0.08439 -0.25410 0.03550 0.24818 92 4PX 0.04732 0.01580 -0.01256 -0.01732 0.01240 93 4PY -0.03832 -0.01109 0.02367 0.01823 -0.00006 94 4PZ 0.01571 -0.02296 0.04312 -0.01022 -0.03548 95 5PX -0.19573 -0.03471 0.07531 0.08124 -0.10632 96 5PY 0.16119 0.05494 -0.10054 -0.11431 0.05847 97 5PZ -0.05182 0.09198 -0.18298 0.07388 0.22556 98 6PX -0.30877 -0.04943 0.21636 0.30738 -0.08721 99 6PY 0.25352 0.12111 -0.13396 -0.38065 -0.12703 100 6PZ -0.10935 0.23682 -0.50378 0.09238 0.52199 101 7D 0 0.00379 0.02107 -0.00045 0.00554 0.00150 102 7D+1 -0.01614 0.03393 0.01698 -0.00509 -0.01164 103 7D-1 0.02725 0.01787 0.01968 0.00948 0.00805 104 7D+2 0.00969 -0.00788 -0.00919 0.02081 -0.01174 105 7D-2 0.02292 0.01258 0.00081 0.04919 -0.03484 106 8D 0 0.00360 0.00357 0.00261 0.00339 -0.00248 107 8D+1 -0.00397 0.00774 0.00378 -0.00012 -0.00244 108 8D-1 0.00635 0.00400 0.00340 -0.00044 0.00223 109 8D+2 0.00114 -0.00488 -0.00366 0.00586 -0.00317 110 8D-2 0.00517 0.00304 0.00292 0.01245 -0.00728 111 6 Cu 1S 0.00001 -0.00462 -0.00002 -0.00140 0.00142 112 2S 0.00185 0.04306 0.00072 0.01872 -0.02852 113 3S -0.00048 0.32841 -0.00022 0.33220 0.35779 114 4PX -0.05592 -0.03164 0.01745 -0.00672 0.01272 115 4PY 0.00773 0.00026 -0.00319 -0.05771 0.03718 116 4PZ 0.03921 -0.04578 -0.01256 0.00302 0.01023 117 5PX 0.16702 0.17447 0.02281 0.02830 -0.05925 118 5PY -0.02182 0.05202 -0.00227 0.18713 -0.09680 119 5PZ -0.11794 0.23937 -0.01565 0.00091 -0.06579 120 6PX 0.00198 0.29960 -0.06807 -0.08461 -0.47080 121 6PY -0.00143 0.01562 0.01087 0.20558 -0.33992 122 6PZ -0.00116 0.42535 0.04920 -0.16963 -0.59806 123 7D 0 0.00832 0.00234 -0.06927 0.01207 -0.01809 124 7D+1 -0.00006 0.01620 0.02979 -0.02615 -0.04300 125 7D-1 0.02092 0.02857 -0.00189 -0.00247 0.02684 126 7D+2 -0.01536 0.00216 0.03665 0.03553 0.00802 127 7D-2 -0.02664 0.02171 -0.01651 -0.01553 0.01205 128 8D 0 0.00231 0.00043 -0.02255 0.00575 -0.00762 129 8D+1 -0.00001 0.00475 0.00945 -0.00645 -0.00814 130 8D-1 0.00553 0.01051 -0.00213 -0.00320 0.00796 131 8D+2 -0.00405 0.00086 0.01269 0.01239 -0.00434 132 8D-2 -0.00693 0.00779 -0.00325 -0.00686 0.00619 133 7 Cu 1S 0.00681 -0.00056 -0.00095 0.00040 -0.00464 134 2S 0.03563 0.06743 0.10955 -0.04512 -0.06926 135 3S 0.16184 0.08103 0.24952 0.03316 0.26418 136 4PX 0.00778 -0.02879 -0.04818 0.00013 -0.03709 137 4PY 0.02715 -0.00453 -0.01490 0.01585 0.00728 138 4PZ -0.05475 0.00901 0.00000 -0.02215 -0.00115 139 5PX -0.04451 0.10844 0.21064 0.01751 0.25626 140 5PY -0.11348 0.03403 0.05754 -0.10570 0.00463 141 5PZ 0.22147 -0.01106 -0.02023 0.11727 -0.02764 142 6PX -0.04180 0.26395 0.55870 -0.09949 0.49366 143 6PY -0.18494 0.07368 0.01426 -0.31246 -0.21165 144 6PZ 0.36485 0.01361 -0.03898 0.36587 0.12237 145 7D 0 0.01096 0.00178 -0.00106 -0.00150 -0.00832 146 7D+1 0.00933 0.04080 -0.01320 0.00444 -0.01308 147 7D-1 -0.03264 0.01127 -0.00296 0.05288 -0.03093 148 7D+2 -0.01380 0.00507 0.00360 0.00555 0.01023 149 7D-2 -0.01068 0.01719 -0.02426 -0.01215 0.01602 150 8D 0 0.00432 -0.00149 0.00234 0.00029 -0.00138 151 8D+1 0.00047 0.00953 -0.00552 0.00314 -0.00421 152 8D-1 -0.00694 0.00177 -0.00195 0.01236 -0.00628 153 8D+2 -0.00466 -0.00127 0.00070 0.00186 -0.00004 154 8D-2 -0.00224 0.00486 -0.00375 -0.00589 0.00469 155 8 C 1S -0.00001 -0.00311 -0.00010 0.01979 0.02869 156 2S -0.00004 0.00093 -0.00003 -0.06341 -0.08335 157 3S 0.00005 0.02472 0.00106 -0.14602 -0.15685 158 4PX 0.24672 0.12232 0.21157 -0.04814 0.03406 159 4PY -0.04500 0.08437 -0.03689 -0.10215 -0.05116 160 4PZ -0.17786 0.15946 -0.14861 -0.03805 0.05887 161 5PX 0.15578 0.09038 0.15276 -0.03899 0.00818 162 5PY -0.02840 0.05124 -0.02658 -0.04805 0.01669 163 5PZ -0.11181 0.11997 -0.10710 -0.04034 0.00596 164 9 O 1S 0.00013 0.00773 0.00024 0.01757 0.00424 165 2S -0.00038 -0.02084 -0.00067 -0.04919 -0.01239 166 3S -0.00065 -0.04971 -0.00149 -0.09426 -0.01535 167 4PX -0.12143 -0.07022 -0.12257 0.03060 -0.01747 168 4PY 0.02218 -0.06412 0.02082 0.04439 0.02992 169 4PZ 0.08786 -0.08733 0.08618 0.02928 -0.03099 170 5PX -0.11148 -0.06072 -0.10241 0.02308 -0.01483 171 5PY 0.02033 -0.04168 0.01778 0.05112 0.02183 172 5PZ 0.08039 -0.07892 0.07189 0.01767 -0.02555 86 87 88 89 90 V V V V V EIGENVALUES -- 0.02090 0.02929 0.03345 0.03691 0.03728 1 1 Cu 1S 0.00002 -0.00015 0.00047 0.00002 -0.00002 2 2S 0.00053 -0.02536 -0.10713 -0.00063 0.00061 3 3S 0.00547 -0.15454 -1.11803 -0.27329 0.01848 4 4PX 0.04748 -0.00425 0.01200 0.01592 0.01467 5 4PY -0.00717 0.01055 -0.00196 -0.02692 -0.00133 6 4PZ -0.03341 -0.00835 0.01754 0.02714 -0.01203 7 5PX -0.21634 0.01628 -0.00711 -0.06699 -0.07889 8 5PY 0.03230 0.01228 0.07153 0.16131 0.00635 9 5PZ 0.15166 0.02011 -0.02497 -0.12308 0.06257 10 6PX -0.65200 0.22317 0.43214 -0.36450 -0.84067 11 6PY 0.09657 0.42553 0.59102 0.99164 0.09154 12 6PZ 0.45715 0.22332 0.49636 -0.66037 0.62189 13 7D 0 -0.00281 0.02404 -0.00214 0.01978 -0.05130 14 7D+1 -0.00136 -0.02711 -0.00676 0.01792 0.02195 15 7D-1 -0.01645 -0.01126 -0.03213 -0.01235 0.00443 16 7D+2 0.00868 0.05396 -0.00808 0.02152 0.02424 17 7D-2 0.02222 -0.02775 -0.02126 -0.01421 -0.01809 18 8D 0 0.00320 0.00759 -0.00229 0.00223 -0.00829 19 8D+1 -0.00153 -0.00507 -0.00530 0.00078 0.00370 20 8D-1 -0.00088 -0.00301 -0.00986 -0.00288 0.00088 21 8D+2 -0.00126 0.01486 -0.00303 0.00302 0.00397 22 8D-2 0.00211 -0.00732 -0.00671 -0.00303 -0.00304 23 2 Cu 1S 0.00024 -0.00159 -0.00106 -0.00309 0.00527 24 2S -0.00072 -0.09055 0.07485 -0.05303 0.10240 25 3S -0.01778 -0.77952 1.34538 -0.40557 0.94818 26 4PX -0.00150 0.03195 0.00564 0.00078 -0.00429 27 4PY 0.02174 0.00847 0.01596 0.00514 -0.03044 28 4PZ 0.02109 -0.00915 -0.01501 -0.02512 0.01725 29 5PX 0.01479 -0.14824 0.01116 -0.00752 0.01059 30 5PY -0.11136 0.04035 -0.13119 -0.02051 0.15108 31 5PZ -0.11122 -0.01853 0.11902 0.12196 -0.07676 32 6PX 0.03775 -0.14606 0.51610 -0.19563 0.41662 33 6PY -0.12431 0.39797 -0.07122 -0.32420 0.67695 34 6PZ -0.15762 -0.44163 0.07997 0.33786 -0.49880 35 7D 0 0.00265 -0.00907 0.00857 0.01219 -0.00137 36 7D+1 0.05349 0.00446 0.03275 -0.01242 0.01154 37 7D-1 0.00382 0.04781 0.00656 -0.02050 0.04122 38 7D+2 -0.00274 0.02249 -0.02059 0.00505 0.01316 39 7D-2 0.05495 0.00030 -0.03152 -0.00023 -0.01788 40 8D 0 -0.00184 -0.00289 0.00437 0.00219 0.00006 41 8D+1 0.01322 0.00285 0.00679 -0.00062 0.00104 42 8D-1 0.00069 0.01403 0.00425 -0.00406 0.00915 43 8D+2 -0.00225 0.00690 -0.00919 0.00165 0.00203 44 8D-2 0.01302 -0.00228 -0.00620 0.00029 -0.00173 45 3 Cu 1S -0.00026 -0.00154 -0.00113 -0.00351 -0.00502 46 2S 0.00050 -0.08936 0.07277 -0.06088 -0.09943 47 3S 0.01712 -0.76008 1.32041 -0.47450 -0.93242 48 4PX -0.02438 -0.01687 -0.01259 -0.02329 -0.00929 49 4PY -0.01777 0.01577 0.01895 0.01110 0.03207 50 4PZ -0.00275 0.02504 -0.00226 -0.00918 -0.00536 51 5PX 0.12939 0.03961 0.07922 0.11432 0.03377 52 5PY 0.08851 0.01146 -0.14176 -0.05018 -0.15496 53 5PZ 0.00813 -0.14908 0.07093 0.04058 0.03266 54 6PX 0.18319 -0.28701 -0.10015 0.33888 0.42839 55 6PY 0.09092 0.40800 0.02645 -0.46479 -0.77571 56 6PZ 0.00056 -0.33307 0.51061 -0.02964 -0.12440 57 7D 0 -0.01430 0.01750 0.00742 -0.00676 -0.01648 58 7D+1 -0.05473 -0.01020 0.02703 -0.00284 0.00226 59 7D-1 -0.04472 0.02526 -0.03449 -0.00648 -0.00181 60 7D+2 0.02645 0.01841 -0.00243 0.00646 -0.02056 61 7D-2 -0.00098 0.03845 0.02503 -0.02761 -0.03834 62 8D 0 -0.00332 0.00677 -0.00307 0.00029 -0.00161 63 8D+1 -0.01246 -0.00266 0.00829 0.00061 0.00056 64 8D-1 -0.01016 0.00541 -0.00768 -0.00101 -0.00217 65 8D+2 0.00898 0.00559 -0.00018 0.00085 -0.00420 66 8D-2 -0.00113 0.01220 0.00831 -0.00527 -0.00781 67 4 Cu 1S 0.00001 0.00362 -0.00064 -0.00022 -0.00001 68 2S 0.00029 0.20609 0.03700 0.00625 0.00007 69 3S 0.00190 2.60888 1.51995 0.00351 0.00608 70 4PX 0.00006 0.00275 0.00904 0.00262 0.00148 71 4PY -0.00001 -0.01760 -0.00951 -0.00404 -0.00003 72 4PZ -0.00005 0.00817 0.01471 0.00451 -0.00143 73 5PX 0.00420 -0.03055 -0.01883 -0.00234 -0.02777 74 5PY -0.00089 0.16588 -0.07432 0.04555 0.00312 75 5PZ -0.00345 -0.08372 -0.00607 -0.01061 0.02031 76 6PX 0.01375 -0.18526 -0.03343 0.13567 -0.24263 77 6PY -0.00253 0.92780 -0.24125 0.13251 0.03431 78 6PZ -0.01137 -0.50100 0.02357 0.18400 0.15763 79 7D 0 0.00001 -0.01424 -0.00533 0.00019 -0.01540 80 7D+1 0.00008 -0.00860 -0.02475 0.03871 0.00151 81 7D-1 0.00033 -0.01208 0.06020 0.01435 -0.02520 82 7D+2 -0.00014 -0.02295 0.02740 -0.01900 0.01910 83 7D-2 -0.00063 -0.00164 0.03158 0.02255 0.02908 84 8D 0 0.00033 -0.00102 -0.00181 0.00188 -0.00091 85 8D+1 -0.00014 0.00332 -0.00518 0.00733 -0.00045 86 8D-1 -0.00011 -0.01374 0.01110 0.00244 -0.00394 87 8D+2 -0.00013 -0.00863 0.00406 -0.00089 0.00212 88 8D-2 0.00018 -0.00657 0.00611 0.00320 0.00493 89 5 Cu 1S -0.00028 0.00149 -0.00089 0.00015 -0.00012 90 2S -0.01615 0.02706 -0.12401 0.00426 0.01080 91 3S -0.11710 0.23549 -1.30662 0.17156 0.36199 92 4PX -0.04654 -0.00425 0.01295 -0.02199 -0.00484 93 4PY -0.03415 0.01095 -0.02043 -0.00144 0.02959 94 4PZ -0.00731 -0.00783 0.00190 -0.01679 -0.02071 95 5PX 0.21765 0.01632 -0.00403 0.10234 0.01117 96 5PY 0.15219 -0.02100 0.02234 0.01662 -0.13381 97 5PZ 0.03016 -0.02177 -0.08239 0.09272 0.12158 98 6PX 0.68495 0.17806 0.38967 0.78235 -0.14599 99 6PY 0.44492 -0.33384 -0.50380 0.18511 -0.79118 100 6PZ 0.06510 -0.19127 -0.63081 0.56664 0.71920 101 7D 0 0.00769 -0.04357 0.00571 0.00687 0.02298 102 7D+1 0.02374 0.02833 0.01920 -0.02112 0.00173 103 7D-1 0.01737 -0.02445 -0.02687 -0.00197 0.01074 104 7D+2 -0.01094 0.00364 0.00423 -0.03746 0.03243 105 7D-2 -0.00224 0.02567 0.00955 0.02410 0.00312 106 8D 0 0.00102 -0.01321 0.00248 0.00056 0.00247 107 8D+1 0.00294 0.00692 0.00683 -0.00372 0.00028 108 8D-1 0.00099 -0.00502 -0.00903 -0.00082 0.00240 109 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-0.01598 -0.00203 0.02719 59 7D-1 0.00690 -0.03280 0.00066 -0.00463 -0.01627 60 7D+2 -0.00413 -0.01437 -0.05403 -0.03226 -0.02571 61 7D-2 0.00924 -0.01881 0.01363 0.00819 0.00786 62 8D 0 -0.00240 0.00123 0.00324 -0.00378 -0.00085 63 8D+1 -0.00290 -0.00106 -0.00167 0.00114 0.00220 64 8D-1 -0.00029 -0.00389 0.00083 0.00007 -0.00222 65 8D+2 0.00032 -0.00179 -0.00878 -0.00561 -0.00479 66 8D-2 0.00296 -0.00405 0.00305 0.00171 0.00121 67 4 Cu 1S 0.00272 0.00012 -0.00054 -0.00006 0.00002 68 2S 0.02132 0.00119 0.00835 0.00073 0.00063 69 3S -0.47111 -0.01542 -0.25382 -0.01555 0.00298 70 4PX -0.02666 -0.04960 -0.02248 -0.04820 -0.01820 71 4PY -0.03278 0.00784 -0.04112 0.00546 0.00246 72 4PZ -0.03181 0.03434 -0.02746 0.03200 0.01233 73 5PX 0.11923 0.27764 0.13113 0.35576 0.09736 74 5PY 0.25047 -0.04100 0.36284 -0.03569 -0.01384 75 5PZ 0.11993 -0.19550 0.13969 -0.24245 -0.06547 76 6PX 2.61080 3.68152 -0.49440 -1.85201 0.71925 77 6PY 2.92487 -0.58123 -1.81736 0.18917 -0.07498 78 6PZ 3.15399 -2.53810 -0.48465 1.28368 -0.48923 79 7D 0 0.01102 -0.01402 0.03684 -0.05048 -0.02013 80 7D+1 0.01158 0.00811 0.00467 0.02270 0.00893 81 7D-1 0.00387 0.01189 0.00404 -0.00073 -0.00098 82 7D+2 0.01103 0.00182 0.05355 0.03000 0.01156 83 7D-2 0.00058 -0.02023 -0.01314 -0.01289 -0.00443 84 8D 0 0.00261 -0.00349 0.00652 -0.00876 -0.00598 85 8D+1 0.00001 0.00174 -0.00154 0.00383 0.00262 86 8D-1 0.00566 0.00187 0.00310 0.00017 -0.00046 87 8D+2 0.00602 0.00112 0.01177 0.00525 0.00344 88 8D-2 0.00212 -0.00318 -0.00161 -0.00230 -0.00115 89 5 Cu 1S -0.00056 0.00210 -0.00061 0.00152 -0.00011 90 2S -0.00775 -0.00685 0.00110 -0.00798 0.05678 91 3S 0.40158 -0.71534 0.33378 -0.47928 1.54609 92 4PX -0.01230 -0.00685 -0.00791 0.04297 -0.00412 93 4PY -0.01987 0.00193 0.03452 -0.03590 -0.00643 94 4PZ 0.02683 -0.04976 0.02897 -0.04059 -0.01295 95 5PX 0.08012 0.07973 0.03972 -0.19346 0.02735 96 5PY 0.14065 -0.02183 -0.14855 0.16410 0.02836 97 5PZ -0.10359 0.27101 -0.13368 0.20824 0.10131 98 6PX -0.76153 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157 3S -0.02906 -0.00161 0.00192 0.00027 -0.00247 158 4PX -0.10597 -0.17384 -0.01217 -0.00688 0.00266 159 4PY -0.09790 0.02791 -0.01729 0.00006 -0.00078 160 4PZ -0.13232 0.11927 -0.01313 0.00349 -0.00208 161 5PX -0.14071 -0.18477 -0.03948 -0.02068 0.01947 162 5PY -0.03668 0.03261 0.05682 0.00698 -0.00223 163 5PZ -0.19649 0.12358 -0.07049 0.00769 -0.01410 164 9 O 1S 0.00290 0.00010 0.00884 0.00057 0.00023 165 2S -0.01042 -0.00035 -0.02815 -0.00181 -0.00074 166 3S 0.00383 0.00031 -0.02566 -0.00170 -0.00056 167 4PX 0.02761 0.06663 0.02363 0.02986 0.02827 168 4PY 0.04557 -0.01003 0.03406 -0.00345 -0.00393 169 4PZ 0.02994 -0.04639 0.02997 -0.01941 -0.01907 170 5PX 0.04500 0.07646 0.01754 0.02182 0.00905 171 5PY 0.03984 -0.01192 0.03547 -0.00138 -0.00064 172 5PZ 0.05592 -0.05216 0.01863 -0.01401 -0.00599 101 102 103 104 105 V V V V V EIGENVALUES -- 0.08391 0.08502 0.09116 0.09844 0.10090 1 1 Cu 1S 0.00060 0.00000 -0.00151 -0.00023 -0.00653 2 2S -0.07094 -0.00042 -0.03790 -0.00233 -0.06831 3 3S -2.11454 -0.01275 -0.72483 -0.01521 -0.47248 4 4PX -0.00284 -0.01393 0.01539 0.01843 -0.01068 5 4PY -0.01005 0.00217 0.00543 -0.00270 -0.00048 6 4PZ -0.00175 0.00963 0.02059 -0.01377 -0.01467 7 5PX 0.02114 0.10650 -0.09243 -0.13838 0.08079 8 5PY 0.08539 -0.01666 -0.03949 0.01920 -0.00443 9 5PZ 0.01191 -0.07333 -0.12150 0.10301 0.11324 10 6PX -0.48473 -3.14810 0.58893 -2.14833 -0.62349 11 6PY -1.99609 0.48339 0.02549 0.38432 2.87547 12 6PZ -0.35722 2.19854 0.82936 1.47336 -1.66170 13 7D 0 -0.00093 -0.02640 0.00791 0.01188 0.00534 14 7D+1 0.02822 0.01243 0.03326 -0.00530 0.00614 15 7D-1 0.01818 0.00585 -0.00014 -0.00255 0.02782 16 7D+2 -0.01496 0.01136 -0.00939 -0.00416 0.01410 17 7D-2 0.02027 -0.01492 0.00637 0.00821 0.01554 18 8D 0 -0.00004 -0.00017 0.00076 0.00508 -0.00206 19 8D+1 0.00171 0.00016 0.00829 -0.00198 0.00011 20 8D-1 0.00186 0.00055 -0.00020 0.00158 0.00582 21 8D+2 -0.00050 -0.00016 -0.00437 -0.00328 -0.00126 22 8D-2 0.00167 -0.00079 0.00212 -0.00042 0.00457 23 2 Cu 1S -0.00040 -0.00003 -0.00056 0.00024 -0.00371 24 2S -0.02471 -0.00667 0.01837 0.00332 -0.00773 25 3S -0.68735 -0.13305 0.59113 0.05717 0.41062 26 4PX 0.00101 0.00145 -0.08294 0.00808 -0.00508 27 4PY 0.00184 -0.00921 -0.00243 0.00274 -0.04676 28 4PZ 0.00357 -0.01215 0.00239 0.01846 0.03108 29 5PX -0.00853 -0.00848 0.53648 -0.04312 0.02358 30 5PY 0.00896 0.03089 -0.03940 -0.01691 0.31060 31 5PZ -0.02566 0.04011 0.02525 -0.15228 -0.19332 32 6PX 2.39197 0.45681 -0.94654 -0.05794 -0.06353 33 6PY 0.84511 5.83255 -0.00860 3.15629 -2.53950 34 6PZ 2.85452 5.91524 0.68967 1.03235 -1.36661 35 7D 0 0.03831 0.01716 -0.02007 0.01150 0.00175 36 7D+1 -0.01634 -0.02339 -0.00759 0.00907 -0.01580 37 7D-1 -0.00256 -0.00257 0.00603 -0.01191 0.03764 38 7D+2 -0.00495 0.00993 0.04544 0.00645 -0.01385 39 7D-2 -0.02192 -0.02375 0.00511 -0.00938 0.01230 40 8D 0 0.00764 -0.00120 -0.00633 0.00028 0.00326 41 8D+1 -0.00160 -0.00326 -0.00095 0.00170 -0.00404 42 8D-1 0.00027 -0.00095 -0.00068 -0.00510 0.00916 43 8D+2 0.00137 -0.00003 0.01253 -0.00131 -0.00420 44 8D-2 -0.00298 -0.00358 0.00091 -0.00263 0.00331 45 3 Cu 1S -0.00039 0.00003 -0.00055 -0.00047 -0.00366 46 2S -0.02658 0.00708 0.01796 -0.00392 -0.00790 47 3S -0.74376 0.14141 0.58831 -0.03638 0.39244 48 4PX 0.00336 0.01384 0.02814 -0.01332 0.02132 49 4PY 0.00140 0.00687 -0.01922 -0.00469 -0.04971 50 4PZ 0.00159 0.00157 -0.07575 -0.01308 0.01314 51 5PX -0.02079 -0.04732 -0.15590 0.11984 -0.12860 52 5PY 0.01116 -0.02250 0.06512 0.02144 0.32640 53 5PZ -0.01637 -0.00130 0.51195 0.08753 -0.09076 54 6PX 2.00238 -6.49824 0.95626 -1.64954 -1.64498 55 6PY 0.82935 -4.91242 -0.26104 -2.99541 -2.07916 56 6PZ 3.28838 -1.68344 -0.66822 0.11316 -0.18839 57 7D 0 -0.02064 0.00562 0.03326 -0.01077 -0.02526 58 7D+1 0.00665 0.01591 -0.02846 -0.01068 -0.00623 59 7D-1 -0.02453 0.01854 0.02378 0.01342 0.01993 60 7D+2 0.03360 -0.02862 0.01026 -0.00699 0.00825 61 7D-2 -0.00722 0.00785 -0.00533 0.01171 0.02776 62 8D 0 -0.00175 0.00051 0.01042 -0.00144 -0.00786 63 8D+1 0.00210 0.00389 -0.00739 -0.00156 0.00018 64 8D-1 -0.00274 0.00318 0.00524 0.00502 0.00445 65 8D+2 0.00724 -0.00055 0.00128 0.00198 0.00337 66 8D-2 -0.00136 0.00039 -0.00292 0.00344 0.00616 67 4 Cu 1S 0.00019 0.00002 0.00435 0.00028 0.00664 68 2S -0.00209 0.00018 0.05176 0.00424 0.13844 69 3S -0.13516 -0.00108 0.40331 0.03684 1.08577 70 4PX 0.00706 -0.00070 -0.00022 0.02068 -0.00050 71 4PY 0.01320 0.00015 0.00517 -0.00229 0.03218 72 4PZ 0.00778 0.00045 -0.00168 -0.01498 -0.00696 73 5PX -0.04416 0.00855 0.02389 -0.15718 0.04586 74 5PY -0.04318 -0.00170 -0.08588 0.01595 -0.26535 75 5PZ -0.05716 -0.00608 0.05494 0.11820 0.11622 76 6PX -0.33562 -0.42191 -0.41223 7.80162 2.13796 77 6PY -1.01946 0.08114 -0.62222 -1.12479 3.08444 78 6PZ -0.27708 0.31655 -0.38384 -5.41608 2.89623 79 7D 0 -0.01088 -0.00248 0.00297 0.00829 -0.00208 80 7D+1 -0.00107 0.00121 0.01312 -0.00137 0.03471 81 7D-1 -0.00024 0.00032 -0.02612 0.00443 -0.09487 82 7D+2 -0.01664 0.00108 -0.01224 -0.00962 -0.05759 83 7D-2 0.00502 -0.00124 -0.01340 -0.00938 -0.04461 84 8D 0 -0.00352 -0.00022 0.00142 0.00048 0.00267 85 8D+1 -0.00006 0.00010 0.00546 0.00037 0.01374 86 8D-1 0.00150 -0.00007 -0.01072 -0.00032 -0.03109 87 8D+2 -0.00502 0.00012 -0.00475 -0.00103 -0.01492 88 8D-2 0.00264 0.00002 -0.00558 -0.00140 -0.01580 89 5 Cu 1S -0.00011 0.00002 -0.00081 0.00109 -0.00348 90 2S 0.03936 0.00445 -0.02826 0.01091 -0.05552 91 3S 1.23440 0.13144 -0.62742 0.08791 -0.74361 92 4PX 0.00497 0.01620 0.02017 0.02041 -0.00221 93 4PY 0.00441 0.00689 -0.02190 -0.01242 0.04315 94 4PZ -0.00341 0.00212 -0.00700 0.02841 -0.04989 95 5PX -0.02993 -0.11614 -0.11783 -0.14260 0.01634 96 5PY -0.01969 -0.05006 0.11926 0.08677 -0.34702 97 5PZ 0.04775 -0.01743 0.03654 -0.25005 0.40402 98 6PX -1.72355 2.89862 0.57364 -1.85438 -0.72074 99 6PY -1.30523 1.93651 -0.56271 1.10014 -0.87694 100 6PZ -1.63224 0.57145 -0.62226 -3.67472 -0.01944 101 7D 0 -0.01090 -0.00319 0.00246 0.00731 -0.02487 102 7D+1 0.00220 -0.01700 -0.00225 -0.00825 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12 6PZ -1.11575 0.72023 -0.08313 0.26035 1.07379 13 7D 0 -0.07000 0.05180 -0.04538 0.03242 0.09262 14 7D+1 0.02472 0.05883 -0.00587 -0.00600 -0.04120 15 7D-1 -0.02782 0.02632 0.01820 0.04602 -0.00680 16 7D+2 0.05110 0.05680 -0.06696 -0.03356 -0.04555 17 7D-2 0.02237 0.00854 0.03195 -0.05530 0.03369 18 8D 0 -0.01593 0.01131 -0.00636 0.01658 0.02760 19 8D+1 0.00597 0.01381 -0.00233 -0.00638 -0.01047 20 8D-1 -0.00606 0.00893 0.01378 0.00267 0.00972 21 8D+2 0.01101 0.01279 -0.00495 -0.00947 -0.01839 22 8D-2 0.00409 0.00401 0.01086 0.00037 -0.00602 23 2 Cu 1S 0.00573 -0.00414 0.01173 0.00297 -0.00274 24 2S 0.02374 -0.06178 0.02899 -0.01248 -0.00102 25 3S 0.26257 -1.49849 -0.18078 -1.66688 0.74584 26 4PX -0.08278 -0.02938 0.00468 -0.03231 0.00972 27 4PY 0.01062 0.01313 -0.01826 0.03827 0.06358 28 4PZ -0.03502 0.02827 -0.02221 0.02585 0.06119 29 5PX 1.14339 0.30302 -0.09555 0.73541 -0.22415 30 5PY -0.11437 -0.11892 0.10331 -0.62862 -1.37287 31 5PZ 0.45079 -0.48520 0.44380 -0.42856 -1.26017 32 6PX -2.47001 -0.82871 -0.06367 -0.77932 0.27906 33 6PY 0.43030 0.90333 -0.44639 1.72449 2.52275 34 6PZ -0.56146 -0.20835 -0.85502 0.32569 2.86869 35 7D 0 0.05136 -0.03716 0.01630 0.01092 -0.06528 36 7D+1 0.06189 -0.04085 -0.00481 0.02163 0.03217 37 7D-1 0.01099 -0.03930 -0.03632 -0.06662 0.00903 38 7D+2 -0.03319 -0.00168 -0.00349 -0.04980 -0.02794 39 7D-2 0.01071 -0.03971 0.02923 -0.00619 0.03843 40 8D 0 0.01355 -0.01042 0.00975 -0.00113 -0.02764 41 8D+1 0.01973 -0.01397 -0.00308 0.00924 0.01022 42 8D-1 0.00230 -0.01630 -0.01686 -0.01703 0.00197 43 8D+2 -0.01105 0.00027 0.00034 -0.01595 -0.01298 44 8D-2 0.00286 -0.01078 0.00950 0.00092 0.01336 45 3 Cu 1S -0.00640 -0.00412 0.01172 -0.00363 0.00307 46 2S -0.02781 -0.06160 0.02942 0.00804 0.00259 47 3S -0.30051 -1.50301 -0.17331 1.60294 -0.75434 48 4PX 0.00326 0.03881 -0.02636 -0.04003 -0.06615 49 4PY -0.00046 0.00385 -0.01425 -0.02723 -0.05454 50 4PZ 0.09419 -0.01758 -0.00092 0.02668 -0.02160 51 5PX -0.01894 -0.57829 0.46209 0.72133 1.36314 52 5PY -0.02991 -0.00011 0.03155 0.40708 1.18927 53 5PZ -1.29247 0.10916 0.04826 -0.63506 0.45873 54 6PX -0.36560 0.25969 -0.89125 -0.88111 -3.07147 55 6PY 0.00175 0.76543 -0.37054 -1.44770 -2.09152 56 6PZ 2.63526 -0.92078 -0.25699 0.85244 -0.91776 57 7D 0 0.01250 -0.00037 -0.01328 0.02167 -0.00957 58 7D+1 -0.08372 -0.05902 0.01503 -0.03991 -0.00347 59 7D-1 0.01062 -0.04387 0.01107 0.04752 -0.03170 60 7D+2 -0.00447 -0.01981 -0.00749 0.04149 0.07648 61 7D-2 -0.02125 -0.02519 -0.04219 0.04108 -0.02680 62 8D 0 0.00302 -0.00076 -0.00521 0.00510 -0.00204 63 8D+1 -0.02544 -0.01828 0.00614 -0.01238 0.00119 64 8D-1 0.00430 -0.01356 0.00213 0.01086 -0.01019 65 8D+2 0.00054 -0.00644 0.00045 0.01625 0.03177 66 8D-2 -0.00653 -0.01243 -0.01957 0.00871 -0.01005 67 4 Cu 1S 0.00037 0.00701 -0.04769 0.00072 -0.00023 68 2S 0.00426 0.14366 -0.27051 0.00538 -0.00154 69 3S 0.03409 3.01177 5.15736 -0.01459 0.00623 70 4PX -0.00171 -0.01991 0.03752 0.10788 -0.01735 71 4PY 0.00014 0.00577 0.02456 -0.01728 0.00249 72 4PZ -0.00018 -0.02800 0.04540 -0.07726 0.01212 73 5PX -0.05857 0.24739 -0.04984 -1.93046 0.36368 74 5PY 0.01769 -0.17097 -2.01557 0.32426 -0.06032 75 5PZ 0.05439 0.37076 0.44603 1.35558 -0.24919 76 6PX -0.36403 -1.07413 -0.07639 2.02584 -0.27425 77 6PY 0.05252 0.27585 3.13566 -0.33516 0.04022 78 6PZ 0.22712 -1.53365 -0.91883 -1.43561 0.18327 79 7D 0 -0.02588 0.00942 0.03177 -0.06302 0.01029 80 7D+1 0.01192 0.02303 0.02001 0.02228 -0.00337 81 7D-1 0.00330 -0.05379 -0.03818 -0.03286 0.00662 82 7D+2 0.00952 -0.01832 0.03119 0.04588 -0.00815 83 7D-2 -0.01248 -0.03018 -0.03459 0.02819 -0.00616 84 8D 0 -0.00349 0.00244 0.00660 -0.01974 0.00341 85 8D+1 0.00190 0.01265 0.02387 0.00704 -0.00100 86 8D-1 0.00165 -0.03011 -0.06484 -0.00737 0.00312 87 8D+2 0.00057 -0.01452 -0.02509 0.01378 -0.00333 88 8D-2 -0.00370 -0.01548 -0.03496 0.00567 -0.00381 89 5 Cu 1S 0.00641 -0.00538 -0.00201 0.00336 0.00155 90 2S 0.03586 -0.01521 0.02276 0.04265 -0.00215 91 3S 0.54925 0.31701 -1.43832 1.43425 -0.69899 92 4PX 0.04743 0.05143 -0.00615 -0.00152 0.02040 93 4PY 0.00302 0.00137 -0.02418 -0.00441 0.02094 94 4PZ 0.01014 0.02797 0.01212 -0.04449 0.01150 95 5PX -0.73644 -0.85860 0.16763 0.05476 -0.64349 96 5PY 0.00406 0.03077 0.38131 -0.04505 -0.65371 97 5PZ -0.15078 -0.34642 -0.50595 1.19758 -0.36374 98 6PX 1.07685 1.09821 0.14623 -0.19588 1.38094 99 6PY 0.32313 0.68523 -1.01116 0.85532 0.77678 100 6PZ 0.33167 0.39569 0.34819 -1.29623 0.34909 101 7D 0 -0.00759 -0.04757 -0.01149 0.10888 -0.00651 102 7D+1 0.00088 -0.02167 0.01225 -0.01177 0.03528 103 7D-1 -0.03153 0.02351 0.02607 0.05857 -0.00573 104 7D+2 0.02725 0.06720 -0.03113 0.01130 0.09447 105 7D-2 -0.06970 -0.01297 -0.01795 0.00392 -0.03275 106 8D 0 -0.00706 -0.00700 -0.02942 0.03802 -0.00571 107 8D+1 -0.00086 -0.00445 0.00730 -0.01474 0.00131 108 8D-1 -0.00105 0.00260 0.00545 0.00744 -0.01093 109 8D+2 0.00830 0.01423 -0.00818 -0.00018 0.03652 110 8D-2 -0.01286 -0.00792 -0.00425 -0.00128 -0.00878 111 6 Cu 1S 0.00015 -0.00926 0.00998 -0.00021 -0.00007 112 2S -0.00013 -0.07300 0.01862 -0.00112 -0.00010 113 3S -0.03966 -1.41904 -0.33346 -0.00960 0.02235 114 4PX 0.03594 0.00321 0.00449 -0.03693 0.07694 115 4PY -0.00234 -0.08448 0.01008 0.00523 -0.01187 116 4PZ -0.02524 0.02161 0.00555 0.02622 -0.05430 117 5PX -0.49330 -0.04028 -0.05824 0.50122 -1.53078 118 5PY 0.03045 1.31837 -0.07348 -0.07029 0.23625 119 5PZ 0.34023 -0.32503 -0.07765 -0.35704 1.08300 120 6PX 0.42615 -0.50009 -0.00867 -0.98372 3.35020 121 6PY 0.02619 -1.97401 -0.15835 0.14450 -0.52299 122 6PZ -0.32351 -0.30285 0.09141 0.68571 -2.34929 123 7D 0 0.03072 -0.00545 -0.00035 -0.00057 0.06729 124 7D+1 -0.02176 0.06896 0.00432 0.00102 -0.02448 125 7D-1 -0.06242 0.04142 0.00647 0.00194 0.03001 126 7D+2 0.01102 -0.04194 -0.00189 -0.00053 -0.04820 127 7D-2 0.09132 0.05198 0.00543 -0.00194 -0.02447 128 8D 0 0.00695 0.00070 0.00082 -0.00563 0.02830 129 8D+1 -0.00560 0.02373 0.00273 0.00212 -0.01041 130 8D-1 -0.01985 0.01536 0.00579 -0.00292 0.01216 131 8D+2 0.00491 -0.01007 0.00131 0.00417 -0.02003 132 8D-2 0.02800 0.01733 0.00398 0.00253 -0.00936 133 7 Cu 1S -0.00617 -0.00533 -0.00252 -0.00309 -0.00152 134 2S -0.03457 -0.01477 0.02025 -0.04102 0.00232 135 3S -0.49293 0.30055 -1.48677 -1.39167 0.66497 136 4PX 0.00524 0.00927 0.01033 0.04103 -0.00822 137 4PY -0.01516 0.00786 -0.02667 -0.00132 -0.02250 138 4PZ -0.04775 0.05589 0.00274 0.01656 -0.01989 139 5PX -0.08960 -0.03508 -0.48874 -1.07028 0.25793 140 5PY 0.18806 -0.09958 0.47682 0.19393 0.70070 141 5PZ 0.74500 -0.89863 -0.08842 -0.48101 0.63124 142 6PX -0.01867 0.13835 0.11492 0.97194 -0.04766 143 6PY -0.55421 0.83250 -1.03525 -0.94931 -0.96994 144 6PZ -1.12014 1.02248 0.44971 0.75586 -1.27570 145 7D 0 -0.04498 0.05179 -0.00857 0.03944 -0.09795 146 7D+1 0.02489 -0.06375 0.00388 -0.04699 0.00918 147 7D-1 0.06075 0.02543 -0.01663 -0.01925 0.00164 148 7D+2 -0.01840 0.01551 -0.01593 -0.10510 -0.03698 149 7D-2 0.01688 0.01242 0.04070 -0.02070 0.01013 150 8D 0 -0.01166 0.01136 0.00874 0.02075 -0.03188 151 8D+1 0.00972 -0.01275 -0.01011 -0.00947 0.01333 152 8D-1 0.00798 -0.00021 -0.00276 0.00091 -0.00060 153 8D+2 -0.00249 0.00610 -0.02566 -0.03370 -0.01173 154 8D-2 -0.00087 0.00114 0.01573 0.00489 0.01479 155 8 C 1S 0.00099 0.05035 0.01420 0.00041 -0.00005 156 2S -0.00224 -0.12147 -0.00225 -0.00067 0.00014 157 3S -0.01381 -0.75136 -0.54003 -0.00818 0.00100 158 4PX 0.05170 0.02269 -0.00369 0.09175 -0.00281 159 4PY -0.01103 -0.03940 -0.09695 -0.01604 -0.00027 160 4PZ -0.03848 0.04410 0.02324 -0.06584 0.00117 161 5PX -0.02854 0.08971 0.59344 0.33733 -0.06806 162 5PY 0.00703 -0.31759 -1.55833 -0.03666 0.00480 163 5PZ 0.01917 0.20385 1.21002 -0.25447 0.05254 164 9 O 1S -0.00037 -0.00553 0.06186 -0.00110 0.00031 165 2S 0.00078 0.02487 -0.08662 0.00173 -0.00039 166 3S 0.00450 -0.02305 -1.03026 0.01727 -0.00517 167 4PX -0.01987 0.01364 0.01907 -0.07454 0.01195 168 4PY 0.00584 0.03877 -0.11575 0.01390 -0.00217 169 4PZ 0.01525 0.00778 0.05607 0.05112 -0.00789 170 5PX -0.00082 -0.01940 -0.06246 -0.07652 0.01454 171 5PY 0.00237 0.08027 -0.13103 0.01703 -0.00325 172 5PZ 0.00018 -0.04778 -0.05379 0.05427 -0.00972 116 117 118 119 120 V V V V V EIGENVALUES -- 0.25209 0.27012 0.27728 0.28080 0.30761 1 1 Cu 1S -0.00256 0.00771 -0.00032 0.00155 -0.00741 2 2S 0.03211 -0.08872 -0.00587 0.13179 -0.12515 3 3S 2.69509 -4.19208 -0.22520 6.69521 -3.31263 4 4PX 0.00649 -0.03341 0.02408 0.05454 -0.02658 5 4PY 0.04094 -0.06827 -0.00585 0.04583 -0.03807 6 4PZ 0.00078 -0.03292 -0.02069 0.06532 -0.02860 7 5PX -0.14314 0.71957 -0.58994 -1.53459 0.90087 8 5PY -1.19810 1.44842 0.13907 -1.16135 0.77769 9 5PZ 0.04458 0.71125 0.51982 -1.87549 0.99220 10 6PX -0.43011 0.51706 -0.25704 -0.23126 0.42867 11 6PY 0.73733 0.05320 0.07934 -1.09985 0.02550 12 6PZ -0.77461 0.71297 0.19285 -0.06904 0.56648 13 7D 0 -0.05171 0.02707 -0.01167 0.02210 0.00149 14 7D+1 -0.01442 -0.01720 -0.00385 0.05307 0.00964 15 7D-1 0.02710 -0.05366 -0.04757 0.05727 0.02805 16 7D+2 -0.06778 0.04001 0.02501 0.02184 -0.00818 17 7D-2 0.03842 -0.05314 0.05921 0.04426 0.02385 18 8D 0 -0.01853 -0.00142 -0.01324 0.01382 -0.01016 19 8D+1 0.00386 -0.00315 0.00381 0.03232 -0.02007 20 8D-1 -0.00029 -0.01574 -0.00371 0.01729 -0.01903 21 8D+2 -0.03385 -0.00523 0.00725 0.00753 -0.01401 22 8D-2 0.01074 -0.01013 0.00045 0.01363 -0.01358 23 2 Cu 1S -0.01016 -0.00316 -0.00578 0.00756 -0.00589 24 2S -0.08145 0.00623 0.06512 -0.02490 -0.06048 25 3S -2.31603 1.57552 5.45904 -3.35857 -1.75032 26 4PX -0.02010 -0.01185 0.00347 -0.00769 -0.03318 27 4PY -0.05018 -0.00447 0.05194 0.00353 -0.03462 28 4PZ -0.01783 0.00258 -0.02843 0.04623 -0.01335 29 5PX 0.42052 0.38717 -0.01897 0.19146 1.41706 30 5PY 1.05767 0.07917 -1.45911 -0.38541 1.16421 31 5PZ 0.18154 -0.13514 0.59472 -1.41845 1.17263 32 6PX -0.20222 0.28670 -0.52667 0.18420 0.26709 33 6PY -0.28475 0.17804 -0.24164 0.53759 0.57362 34 6PZ -1.08202 0.06024 0.39948 -0.13872 0.23750 35 7D 0 0.01558 -0.00598 -0.01093 -0.05661 0.11054 36 7D+1 0.00268 0.04123 -0.03822 -0.01460 -0.02837 37 7D-1 -0.02502 0.08727 0.02258 -0.03055 -0.02265 38 7D+2 0.01958 0.00414 -0.06019 -0.01155 -0.03494 39 7D-2 -0.01531 -0.03839 0.00488 -0.04407 -0.05109 40 8D 0 0.00814 0.00528 -0.00821 -0.03611 0.03227 41 8D+1 -0.00345 0.00497 -0.00987 -0.01603 0.00482 42 8D-1 -0.00279 0.03176 0.00454 -0.00524 -0.00584 43 8D+2 0.00571 -0.02023 -0.02477 -0.01117 -0.00886 44 8D-2 -0.01229 -0.00779 -0.00841 -0.01991 -0.02632 45 3 Cu 1S -0.01015 -0.00344 0.00448 0.00779 -0.00204 46 2S -0.08015 0.00472 -0.06695 -0.03132 -0.01458 47 3S -2.23340 1.59019 -5.22802 -3.79390 -0.49961 48 4PX -0.02100 0.00541 0.01357 0.04825 -0.02344 49 4PY -0.04982 -0.00714 -0.05569 -0.00854 -0.02695 50 4PZ -0.01710 -0.00973 0.01319 0.00916 -0.02360 51 5PX 0.26679 -0.23659 -0.15889 -1.48716 1.31249 52 5PY 1.07201 0.16761 1.52840 -0.02252 1.01725 53 5PZ 0.29378 0.30797 -0.37101 -0.27944 1.31182 54 6PX -1.00727 0.00010 -0.49250 -0.10346 0.37942 55 6PY -0.18423 0.22193 0.35796 0.62918 0.45174 56 6PZ -0.52612 0.26568 0.30171 0.05581 0.20460 57 7D 0 0.01559 0.02889 0.06328 0.01830 -0.06278 58 7D+1 0.00250 0.01218 0.02222 -0.04574 0.02999 59 7D-1 -0.01694 -0.00273 0.00760 -0.04736 -0.06525 60 7D+2 0.01671 0.02431 0.02496 -0.04052 0.08916 61 7D-2 -0.02549 0.09591 -0.02701 -0.00421 -0.03527 62 8D 0 0.00242 -0.01453 0.01911 0.00063 -0.00873 63 8D+1 -0.00248 0.00828 0.01013 -0.03267 0.01438 64 8D-1 -0.01050 -0.00289 0.01338 -0.01800 -0.02784 65 8D+2 0.01204 0.00473 0.01343 -0.02293 0.02547 66 8D-2 -0.00326 0.03494 -0.01260 0.00727 -0.00569 67 4 Cu 1S 0.03601 0.05599 0.00125 -0.01313 -0.01486 68 2S 0.24474 0.48657 0.00819 -0.08388 -0.11984 69 3S -1.14580 9.78256 -0.02725 0.76100 -0.44503 70 4PX 0.05106 0.03046 0.00211 0.00358 -0.04710 71 4PY 0.09721 -0.03630 -0.00028 0.01025 0.00789 72 4PZ 0.05169 0.05080 -0.00120 0.00338 -0.05953 73 5PX -1.25743 -0.92240 0.45467 -0.32500 1.54387 74 5PY -0.65185 1.00186 -0.04688 -0.70963 -0.08447 75 5PZ -1.65991 -1.50716 -0.30996 -0.35365 1.88782 76 6PX 0.79569 -0.88956 1.60420 -0.97426 -0.29466 77 6PY 0.44722 0.15479 -0.19341 -1.59207 -0.70941 78 6PZ 1.06285 -1.25621 -1.07201 -1.17322 -0.16840 79 7D 0 0.00796 -0.00527 0.02959 -0.00547 -0.05394 80 7D+1 -0.02984 -0.01194 -0.00344 -0.06999 -0.04899 81 7D-1 -0.03734 0.01958 0.04522 -0.01889 -0.00364 82 7D+2 0.02122 0.00556 -0.03651 0.02877 -0.07812 83 7D-2 -0.03535 0.01136 -0.05448 -0.03429 0.02317 84 8D 0 0.00742 -0.00744 0.00680 -0.00171 -0.01274 85 8D+1 -0.01140 -0.02056 0.00102 -0.02180 -0.00913 86 8D-1 0.02174 0.02586 0.02185 -0.01604 -0.01866 87 8D+2 0.02724 0.01012 -0.01275 0.00575 -0.02552 88 8D-2 0.00595 0.01364 -0.02659 -0.01712 -0.00303 89 5 Cu 1S 0.00347 0.01610 -0.00263 0.00852 0.00563 90 2S -0.00077 -0.06597 -0.11336 -0.02946 0.02138 91 3S 0.66661 -5.45387 -5.25472 -3.99107 -0.75724 92 4PX -0.00818 -0.03531 -0.03771 -0.05231 -0.00194 93 4PY -0.02574 0.04023 0.06878 0.02112 -0.00592 94 4PZ 0.01433 0.06750 0.02866 0.00868 0.00684 95 5PX 0.16616 0.91757 1.01603 1.50551 0.47358 96 5PY 0.74988 -0.92486 -1.89841 -0.66382 0.30707 97 5PZ -0.43752 -1.63176 -0.68741 -0.35479 0.14069 98 6PX 0.00875 0.64404 0.04398 0.59795 0.23870 99 6PY 0.00730 -0.46848 -0.33645 0.13928 0.17221 100 6PZ 0.73027 -0.25364 -1.05739 -0.56779 -0.27689 101 7D 0 -0.08412 -0.05201 0.04530 0.05417 0.02587 102 7D+1 0.07524 0.05960 -0.01156 0.05892 -0.01509 103 7D-1 0.02642 -0.06106 -0.05694 0.01920 -0.01630 104 7D+2 -0.02931 0.00146 0.01996 -0.02424 -0.05506 105 7D-2 -0.00265 0.02404 0.04911 0.03788 0.00887 106 8D 0 -0.01309 0.00173 0.01229 0.00299 0.00321 107 8D+1 0.00416 0.01886 0.00536 0.01072 0.00114 108 8D-1 -0.00364 -0.01748 -0.01238 -0.00421 0.01727 109 8D+2 -0.01437 -0.00353 0.01676 -0.01082 -0.01565 110 8D-2 0.00109 0.00903 0.02699 0.02239 0.01113 111 6 Cu 1S -0.02003 -0.01173 -0.00040 0.00203 0.02449 112 2S -0.07507 -0.03872 -0.00515 0.12326 0.29022 113 3S 1.53894 2.28101 -0.21942 7.28546 7.79871 114 4PX 0.00229 0.00748 -0.04456 -0.04403 -0.07198 115 4PY -0.04198 0.01136 0.00613 0.01225 -0.03937 116 4PZ 0.01148 0.00796 0.03446 -0.06185 -0.08786 117 5PX 0.07282 -0.13457 1.33593 1.08493 1.98432 118 5PY 1.13985 -0.39933 -0.18174 -0.41612 1.20790 119 5PZ -0.12480 -0.09313 -1.01384 1.52956 2.25582 120 6PX 0.23063 -0.07144 -0.63383 0.54391 0.66377 121 6PY -0.89116 -0.40158 0.08593 -0.04526 0.18834 122 6PZ 0.49186 -0.02432 0.41132 0.83225 0.82625 123 7D 0 -0.04983 -0.03849 -0.06324 0.01769 0.01430 124 7D+1 -0.04164 -0.08612 0.03141 -0.01117 0.03863 125 7D-1 0.06572 -0.00916 0.02967 0.01523 0.03854 126 7D+2 -0.03441 -0.00939 0.01812 0.04536 0.03449 127 7D-2 0.05387 -0.01312 -0.05626 -0.00713 0.02717 128 8D 0 -0.00963 -0.00142 -0.02922 0.00619 0.00543 129 8D+1 -0.00666 -0.03230 0.01573 -0.00732 0.02264 130 8D-1 0.01757 -0.00330 0.01931 -0.00034 0.01629 131 8D+2 -0.00641 0.01773 0.00634 0.01696 0.00546 132 8D-2 0.01417 -0.01130 -0.03393 -0.00819 0.01437 133 7 Cu 1S 0.00376 0.01644 0.00215 0.00838 0.00807 134 2S 0.00018 -0.06537 0.11484 -0.02218 0.04079 135 3S 0.61834 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0.54321 1 1 Cu 1S 0.00052 0.00112 -0.00024 0.02464 -0.01122 2 2S 0.01155 0.00360 -0.00168 0.03004 -0.01910 3 3S 0.33314 -0.65066 -0.02652 -2.00252 -0.34222 4 4PX -0.00225 0.00292 -0.00706 -0.00428 -0.00338 5 4PY 0.00423 -0.02138 0.00027 -0.01033 0.00142 6 4PZ 0.00635 0.00840 0.00472 -0.00377 -0.00520 7 5PX 0.54531 0.08118 0.35066 0.16175 -0.00842 8 5PY -0.18125 -0.44846 -0.05242 0.53417 0.10756 9 5PZ -0.54337 0.24919 -0.23019 0.11344 -0.03483 10 6PX 0.08339 0.32573 -0.62690 -0.32979 0.04450 11 6PY -0.01149 0.35515 0.09365 0.81067 0.04530 12 6PZ -0.13717 0.36096 0.46506 -0.65797 0.05144 13 7D 0 0.05463 -0.02057 0.03648 0.02055 -0.01913 14 7D+1 -0.02425 0.01413 -0.01503 0.02491 -0.01408 15 7D-1 -0.00153 -0.00077 0.00542 0.00184 -0.00585 16 7D+2 -0.02990 -0.04095 -0.02211 0.01725 -0.02394 17 7D-2 0.01055 0.01307 0.00235 -0.00180 0.00143 18 8D 0 0.02050 -0.02923 -0.00512 -0.00608 0.03003 19 8D+1 -0.00493 -0.01579 0.00209 -0.02124 0.02405 20 8D-1 0.01424 -0.00367 0.00240 0.00202 0.01878 21 8D+2 -0.01446 -0.03736 0.00048 0.00543 0.03907 22 8D-2 -0.01021 0.00821 -0.00501 -0.00231 0.00421 23 2 Cu 1S -0.01641 -0.00576 -0.00339 -0.00473 0.03150 24 2S -0.22105 0.13961 -0.09078 -0.00433 0.04457 25 3S -6.62557 6.63667 -3.84011 0.03988 -0.39322 26 4PX -0.06578 0.03382 -0.01066 0.00238 -0.00546 27 4PY -0.03333 0.04857 -0.03037 0.00036 0.00093 28 4PZ 0.06884 -0.04212 0.02889 0.00480 0.00208 29 5PX 2.09803 -0.57820 0.53283 0.29680 0.00675 30 5PY 0.36960 -2.37263 0.67989 -0.02229 0.09261 31 5PZ -2.07363 1.23779 -0.82336 0.21826 -0.14551 32 6PX 0.64112 -0.58999 0.37902 0.15710 0.00660 33 6PY 0.35526 -0.61184 0.67764 -0.55707 0.14825 34 6PZ -0.71252 0.31695 -0.34891 -0.62160 0.28304 35 7D 0 -0.03444 0.01747 0.00556 0.00182 0.00163 36 7D+1 0.06829 -0.01002 0.02456 -0.01497 0.04195 37 7D-1 0.00083 -0.07119 0.01887 0.00137 0.01703 38 7D+2 -0.06216 -0.08456 0.01567 -0.03456 -0.00804 39 7D-2 -0.00541 0.05316 0.00635 -0.02548 -0.03137 40 8D 0 -0.00758 -0.00442 -0.00570 0.01683 -0.00960 41 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7D-2 -0.03677 -0.05815 -0.01656 0.01347 0.03462 62 8D 0 -0.00633 -0.01231 0.00039 0.00169 -0.01362 63 8D+1 -0.02272 0.01302 -0.00091 0.01518 -0.03778 64 8D-1 0.02076 -0.01374 0.01274 -0.00322 0.04077 65 8D+2 0.01193 -0.02787 0.01024 0.00906 0.00512 66 8D-2 -0.02067 -0.01335 0.00154 -0.00837 -0.03371 67 4 Cu 1S 0.00087 0.00874 0.00053 0.00669 -0.07192 68 2S 0.00721 -0.02582 0.00309 0.05588 -0.20815 69 3S 0.03938 -2.88733 0.01177 0.22972 3.33499 70 4PX -0.04334 -0.02377 -0.01131 -0.02395 0.01402 71 4PY 0.00848 0.13509 0.00407 0.01280 -0.03076 72 4PZ 0.03821 -0.06593 0.00647 -0.03783 0.02682 73 5PX 1.60890 0.53521 0.82157 0.78127 -0.01947 74 5PY -0.32097 -4.28210 -0.18393 0.17052 -0.10396 75 5PZ -1.38964 1.81940 -0.55230 1.10485 -0.00074 76 6PX -0.31998 -0.29044 2.40532 1.72617 -0.27208 77 6PY 0.10371 -1.59283 -0.43056 2.42806 -0.72261 78 6PZ 0.25507 0.00802 -1.71986 1.99382 -0.21423 79 7D 0 0.09818 0.01109 -0.01045 0.00708 -0.03113 80 7D+1 -0.03955 0.00646 0.00282 0.00506 -0.08852 81 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7D 0 -0.03871 -0.01177 0.01323 -0.01924 0.05092 102 7D+1 -0.02948 0.00973 -0.00618 -0.00315 0.00238 103 7D-1 0.03593 0.02706 -0.01002 0.00985 0.00102 104 7D+2 -0.01979 0.02228 -0.03396 -0.02662 0.00476 105 7D-2 0.00251 -0.02960 -0.01811 0.02159 0.00819 106 8D 0 0.00094 0.01677 -0.03934 0.04302 -0.07337 107 8D+1 0.01375 -0.00492 0.00017 -0.00073 -0.00801 108 8D-1 -0.01145 -0.00811 0.02239 -0.02101 0.01017 109 8D+2 -0.00973 0.02209 0.01040 0.00287 -0.00752 110 8D-2 0.00779 0.02073 0.01173 0.00012 -0.01988 111 6 Cu 1S -0.00204 -0.00477 -0.00008 0.00339 0.03115 112 2S -0.02608 -0.01730 0.00128 0.12739 0.03999 113 3S -0.75487 -1.16482 0.04699 4.71859 -0.51538 114 4PX -0.02213 0.00932 0.00210 -0.03009 0.00418 115 4PY 0.00843 0.00373 -0.00046 0.00983 0.00762 116 4PZ 0.02854 0.01191 -0.00200 -0.04474 0.00427 117 5PX 1.37762 -0.19820 0.16645 0.87600 -0.13017 118 5PY -0.38418 -1.34482 -0.04257 -0.30514 -0.01771 119 5PZ -1.31288 0.06557 -0.09642 1.31756 -0.18323 120 6PX 0.37216 -0.22504 -0.54893 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0.28799 0.97985 160 4PZ 0.15565 -0.01015 -0.45986 0.60609 -0.38877 161 5PX -0.06395 0.37948 -1.43664 -0.93848 0.11222 162 5PY 0.02752 0.34826 0.23850 -1.14682 -0.44295 163 5PZ 0.03237 0.41715 1.00709 -1.09476 0.27180 164 9 O 1S 0.00056 -0.04333 0.00019 0.01561 -0.08884 165 2S -0.00203 0.08451 -0.00029 -0.02612 0.24690 166 3S -0.00411 0.66172 -0.00223 -0.26544 0.81511 167 4PX 0.04572 -0.04697 0.11743 0.06459 0.06430 168 4PY -0.01343 0.11911 -0.01717 0.06385 0.15527 169 4PZ -0.03271 -0.09146 -0.08272 0.07895 0.04946 170 5PX 0.03549 -0.10676 0.08979 0.08521 -0.28489 171 5PY -0.01462 0.29952 -0.01692 -0.02109 1.20069 172 5PZ -0.02487 -0.22335 -0.06322 0.13029 -0.69804 126 127 128 129 130 V V V V V EIGENVALUES -- 0.64030 0.64887 0.65923 0.67240 0.67679 1 1 Cu 1S -0.00971 0.17568 -0.07725 0.00080 0.06131 2 2S 0.00019 0.33156 -0.08623 -0.00081 0.09967 3 3S 0.13097 -2.43928 1.80387 0.00830 -1.90651 4 4PX -0.00039 -0.00336 0.00627 0.00051 -0.00181 5 4PY 0.00417 0.00115 0.00377 0.00004 -0.00988 6 4PZ -0.00150 -0.00502 0.00811 -0.00113 -0.00031 7 5PX -0.02035 0.31819 -0.35698 0.27353 0.18337 8 5PY -0.21450 0.33374 -0.28746 -0.04600 0.42014 9 5PZ 0.02275 0.37918 -0.47214 -0.16576 0.13201 10 6PX 0.03076 0.25489 -0.07225 -0.13644 0.02761 11 6PY 0.47534 0.06762 0.35612 0.00604 0.30731 12 6PZ -0.06347 0.34893 -0.16764 0.10065 -0.01576 13 7D 0 -0.09250 -0.00527 0.02660 0.05171 -0.00970 14 7D+1 -0.06167 -0.00156 0.19163 -0.02564 -0.13864 15 7D-1 0.12126 -0.04193 0.09169 0.01510 0.03107 16 7D+2 -0.07303 -0.02331 -0.06141 -0.03587 0.07370 17 7D-2 0.10265 -0.02029 0.10353 -0.01177 -0.01036 18 8D 0 0.11216 -0.00677 -0.02855 -0.03343 0.01948 19 8D+1 0.08814 -0.02624 -0.24945 0.01960 0.19454 20 8D-1 -0.16438 0.03313 -0.10503 -0.01309 -0.05771 21 8D+2 0.07477 0.02064 0.09018 0.02501 -0.10409 22 8D-2 -0.13104 0.01055 -0.12813 0.01431 0.00258 23 2 Cu 1S 0.01937 -0.03627 -0.02620 0.05878 -0.01369 24 2S 0.05172 -0.06922 -0.03639 0.03689 -0.03910 25 3S 1.11183 0.83049 -0.00705 -2.86218 0.04646 26 4PX -0.00045 -0.00234 0.00324 -0.01020 -0.00444 27 4PY 0.00411 -0.00810 0.00464 -0.00870 -0.00020 28 4PZ -0.00435 0.00506 0.00596 0.01849 0.00026 29 5PX -0.10911 0.18721 -0.26129 0.70560 0.10139 30 5PY -0.33585 0.17339 -0.26618 0.24370 0.04626 31 5PZ 0.06167 0.08413 -0.37459 -0.68838 0.02961 32 6PX -0.26239 0.48187 -0.22533 0.68209 0.03544 33 6PY -0.42337 0.19474 -0.43075 -0.20329 -0.09150 34 6PZ -0.43718 0.21938 -0.76340 -0.18926 -0.23648 35 7D 0 0.04122 -0.11288 0.14338 0.05603 -0.04210 36 7D+1 0.07071 -0.13374 -0.17527 0.05568 0.10935 37 7D-1 -0.10007 -0.05041 0.06509 0.09796 -0.06479 38 7D+2 0.12974 0.13334 0.04244 0.08323 0.01390 39 7D-2 -0.12064 0.05357 0.08257 -0.09097 0.09893 40 8D 0 -0.06157 0.16562 -0.22350 -0.07762 0.05901 41 8D+1 -0.10619 0.18122 0.24572 -0.05367 -0.14748 42 8D-1 0.13430 0.10166 -0.08960 -0.12983 0.10203 43 8D+2 -0.18023 -0.18812 -0.04266 -0.13417 -0.02565 44 8D-2 0.17838 -0.08980 -0.11602 0.11444 -0.13133 45 3 Cu 1S 0.02093 -0.03536 -0.03086 -0.05430 -0.01734 46 2S 0.05336 -0.06711 -0.03915 -0.02691 -0.03927 47 3S 1.04555 0.84509 0.24484 2.90341 0.33419 48 4PX -0.00281 0.00353 0.00398 -0.01934 -0.00062 49 4PY 0.00410 -0.00867 0.00555 0.01335 0.00065 50 4PZ -0.00250 0.00058 0.00445 0.00137 -0.00456 51 5PX 0.01056 0.05891 -0.24934 0.83339 0.08108 52 5PY -0.34279 0.18605 -0.29932 -0.47181 0.00638 53 5PZ -0.02866 0.18323 -0.36250 -0.34748 0.08316 54 6PX -0.40429 0.07756 -0.67003 0.49468 -0.21276 55 6PY -0.39271 0.24107 -0.34450 0.05146 -0.06129 56 6PZ -0.32432 0.50018 -0.46478 -0.55818 -0.07963 57 7D 0 0.15901 0.05042 -0.14462 -0.07770 0.06163 58 7D+1 0.01883 -0.18320 -0.04771 -0.02412 0.07767 59 7D-1 -0.10590 0.08501 0.10866 0.01393 0.05262 60 7D+2 0.07387 -0.01045 0.15998 -0.12359 -0.10932 61 7D-2 -0.07944 -0.10122 -0.05524 -0.08839 -0.06801 62 8D 0 -0.22562 -0.07710 0.22143 0.10382 -0.09211 63 8D+1 -0.03143 0.25123 0.04801 0.01480 -0.10336 64 8D-1 0.15561 -0.12207 -0.14312 -0.00502 -0.06520 65 8D+2 -0.10794 0.03493 -0.23136 0.18267 0.15111 66 8D-2 0.10306 0.16928 0.07768 0.10398 0.10415 67 4 Cu 1S -0.03388 0.03023 0.01174 -0.00132 0.01131 68 2S -0.06794 0.07617 -0.00298 0.00154 -0.00709 69 3S 0.22852 2.78642 1.46003 -0.15727 2.04413 70 4PX -0.00447 0.00509 0.01907 -0.01452 -0.00208 71 4PY 0.02433 -0.01016 -0.00825 0.00319 -0.01515 72 4PZ -0.01200 0.00944 0.03019 0.00812 0.00041 73 5PX -0.00970 -0.00874 -0.33603 0.62656 0.21924 74 5PY -0.55424 0.31217 -0.29336 -0.08341 0.14597 75 5PZ 0.12017 -0.08192 -0.47193 -0.44156 0.24247 76 6PX 0.16059 -0.16080 0.04029 -0.01945 0.35264 77 6PY 0.58246 -0.28084 0.56260 -0.11678 1.72393 78 6PZ 0.10765 -0.16875 -0.06762 0.02077 0.13692 79 7D 0 -0.08210 0.07324 -0.08333 -0.17547 -0.04788 80 7D+1 -0.03397 0.13000 0.05468 0.08966 -0.16088 81 7D-1 0.07693 -0.01905 0.01861 0.03149 0.00750 82 7D+2 -0.09209 0.02556 -0.14968 0.07912 0.04579 83 7D-2 0.08194 -0.01021 0.06188 -0.09876 -0.04129 84 8D 0 0.12305 -0.10551 0.13136 0.26330 0.07827 85 8D+1 0.05403 -0.20539 -0.07529 -0.13704 0.26102 86 8D-1 -0.11262 0.05023 -0.03928 -0.04910 -0.01401 87 8D+2 0.13656 -0.01643 0.22755 -0.11808 -0.07041 88 8D-2 -0.12009 0.02227 -0.10110 0.15372 0.06276 89 5 Cu 1S 0.06172 0.15854 0.04715 0.04913 0.03109 90 2S 0.10299 0.30373 0.08798 0.05601 0.08007 91 3S -0.90055 -2.57193 -0.96040 -0.86556 -0.14090 92 4PX 0.00020 -0.00319 0.00111 -0.00609 0.00306 93 4PY 0.00747 0.00167 0.00147 0.00676 0.00143 94 4PZ -0.00469 0.00383 0.00129 -0.00150 -0.00179 95 5PX 0.03248 0.45285 -0.00612 0.35444 -0.14200 96 5PY -0.30353 -0.27995 -0.16332 -0.17323 -0.04202 97 5PZ -0.03272 -0.27709 -0.26871 -0.18766 0.00658 98 6PX 0.14543 0.24999 0.19909 -0.13470 -0.01093 99 6PY -0.12939 -0.31749 -0.05197 0.02059 -0.44901 100 6PZ 0.12788 -0.39778 0.28819 0.21715 0.12539 101 7D 0 0.01927 -0.02465 -0.04269 0.00820 0.07604 102 7D+1 -0.05090 -0.08896 0.01867 0.11579 0.07921 103 7D-1 0.00681 0.04193 -0.16674 -0.15654 0.02603 104 7D+2 0.09054 -0.00351 0.02227 -0.01765 -0.00403 105 7D-2 0.16153 0.05754 -0.02812 0.13530 -0.09195 106 8D 0 -0.00753 0.05920 0.04204 -0.02243 -0.10593 107 8D+1 0.07611 0.14288 -0.00935 -0.15977 -0.12991 108 8D-1 -0.01879 -0.08005 0.23098 0.22009 -0.03945 109 8D+2 -0.10411 -0.00965 -0.00744 0.00646 0.01859 110 8D-2 -0.21666 -0.04796 0.04002 -0.17227 0.13327 111 6 Cu 1S 0.05033 -0.05765 -0.01349 0.00045 -0.02255 112 2S 0.05512 -0.06153 -0.08312 0.00384 -0.04919 113 3S -0.87364 3.17352 -1.48639 0.10124 -0.15025 114 4PX 0.00639 -0.00854 0.00919 -0.00977 0.00695 115 4PY 0.00321 0.00504 0.00157 0.00158 -0.00741 116 4PZ 0.00845 -0.01315 0.01316 0.00534 0.01254 117 5PX -0.20246 0.35278 -0.33040 0.53671 -0.04059 118 5PY -0.28098 -0.07990 -0.25419 -0.08403 0.23431 119 5PZ -0.22284 0.51738 -0.45777 -0.33741 -0.15331 120 6PX -0.03208 0.07167 -0.06886 0.53694 -0.01753 121 6PY -0.53701 0.00992 -0.71854 -0.05695 -0.21917 122 6PZ 0.07607 0.10641 0.00883 -0.36845 -0.00964 123 7D 0 -0.11238 0.03973 0.00358 0.14285 -0.03155 124 7D+1 0.00533 0.23920 -0.06179 -0.05367 -0.07318 125 7D-1 -0.13130 0.05535 0.02808 0.00028 0.13818 126 7D+2 -0.22748 -0.07168 0.04125 -0.08249 0.03425 127 7D-2 -0.02299 0.09094 0.00065 0.02496 0.09056 128 8D 0 0.15986 -0.05307 -0.00929 -0.21808 0.03330 129 8D+1 -0.01448 -0.34681 0.07155 0.08169 0.10169 130 8D-1 0.17071 -0.06556 -0.05393 -0.01111 -0.18320 131 8D+2 0.32309 0.11681 -0.05737 0.13105 -0.05908 132 8D-2 0.02032 -0.12474 -0.01226 -0.02541 -0.11444 133 7 Cu 1S 0.06238 0.15977 0.04268 -0.04973 0.02919 134 2S 0.10406 0.30508 0.08241 -0.06083 0.07750 135 3S -0.89286 -2.60176 -0.88429 0.85695 -0.14475 136 4PX -0.00302 0.00512 0.00104 -0.00169 -0.00183 137 4PY 0.00815 0.00035 0.00118 -0.00544 0.00200 138 4PZ -0.00268 -0.00182 0.00192 0.00690 0.00256 139 5PX -0.10255 -0.46338 -0.25267 0.32154 0.04638 140 5PY -0.28121 -0.14494 -0.11899 0.06417 -0.07740 141 5PZ 0.06402 0.36403 -0.09700 -0.25919 -0.14591 142 6PX 0.04726 -0.50426 0.16422 -0.27311 0.00811 143 6PY -0.10643 -0.21134 -0.03830 0.08822 -0.45632 144 6PZ 0.19474 0.13902 0.29889 0.03133 0.10202 145 7D 0 -0.00522 -0.05857 0.05780 -0.03707 0.03982 146 7D+1 -0.01358 -0.06731 -0.02194 -0.14338 0.06919 147 7D-1 0.17495 0.07521 -0.07785 -0.03385 -0.07324 148 7D+2 0.03007 0.00198 -0.06087 0.11923 0.07176 149 7D-2 -0.07789 0.00727 -0.11926 0.14509 0.06662 150 8D 0 0.01868 0.06850 -0.04798 0.06287 -0.05615 151 8D+1 0.03022 0.13448 0.02693 0.19932 -0.11324 152 8D-1 -0.23447 -0.09225 0.11593 0.03667 0.10887 153 8D+2 -0.02434 -0.01225 0.08041 -0.14565 -0.08968 154 8D-2 0.08973 -0.03549 0.16656 -0.20807 -0.10688 155 8 C 1S 0.02078 0.00973 -0.00022 -0.00233 0.03028 156 2S 0.00431 0.05144 0.34639 -0.03808 0.34284 157 3S 0.11044 -0.44127 -0.39839 0.03438 -0.20742 158 4PX 0.02080 -0.03991 -0.04271 0.03236 -0.02123 159 4PY -0.10940 0.42607 0.25144 -0.03468 0.29368 160 4PZ 0.05785 -0.16292 -0.12671 -0.00759 -0.10504 161 5PX 0.06678 -0.13834 0.10777 -0.29865 -0.00368 162 5PY -0.03083 -0.30086 -0.20420 0.10105 -0.62422 163 5PZ 0.09620 -0.11236 0.23704 0.17889 0.18341 164 9 O 1S 0.00998 -0.01815 0.00376 -0.00106 0.01260 165 2S 0.00261 0.06321 -0.00464 -0.00063 0.01400 166 3S -0.17693 0.16039 0.01040 0.01549 -0.23260 167 4PX 0.05770 -0.20127 0.03952 -0.33588 -0.08577 168 4PY 0.20828 0.09170 0.31530 0.00894 0.56134 169 4PZ 0.02925 -0.30014 0.01592 0.25860 -0.19708 170 5PX -0.06800 0.25421 -0.07975 0.53132 0.13057 171 5PY -0.45423 0.31499 -0.33104 -0.03061 -0.73320 172 5PZ 0.01869 0.26961 -0.09058 -0.40087 0.26926 131 132 133 134 135 V V V V V EIGENVALUES -- 0.68035 0.69179 0.69964 0.71248 0.73714 1 1 Cu 1S 0.00266 0.05634 -0.14597 0.00200 -0.00321 2 2S 0.00477 0.09071 -0.27801 0.00314 0.01249 3 3S -0.07013 -0.81024 3.34663 -0.05302 0.43656 4 4PX 0.00218 -0.00515 0.00091 0.00011 -0.00526 5 4PY -0.00053 -0.00421 0.00226 -0.00030 0.00583 6 4PZ -0.00125 -0.00649 0.00075 -0.00044 -0.00904 7 5PX -0.14468 0.17027 -0.39527 0.28437 -0.07920 8 5PY 0.03549 0.17977 -0.29570 -0.02984 0.05605 9 5PZ 0.10565 0.23169 -0.50260 -0.18674 -0.11849 10 6PX -0.13284 0.02486 -0.40879 0.23475 -0.01963 11 6PY 0.02374 0.15543 -0.49918 -0.02704 -0.35194 12 6PZ 0.10024 0.00176 -0.47785 -0.15760 0.05383 13 7D 0 -0.05525 -0.04358 -0.10028 -0.15553 0.02401 14 7D+1 0.03673 -0.12871 -0.14219 0.04975 -0.03423 15 7D-1 0.08469 0.07677 -0.05829 -0.10823 0.16523 16 7D+2 -0.00963 0.04175 -0.08588 0.12848 0.11596 17 7D-2 -0.14116 0.01878 -0.03016 0.11322 0.07738 18 8D 0 0.07023 0.06001 0.16263 0.23858 -0.01868 19 8D+1 -0.05163 0.18830 0.24585 -0.07489 0.07370 20 8D-1 -0.13672 -0.13385 0.12204 0.17577 -0.24944 21 8D+2 0.02533 -0.07026 0.13683 -0.20136 -0.16050 22 8D-2 0.22135 -0.03832 0.07091 -0.18837 -0.11862 23 2 Cu 1S -0.00628 0.02117 0.13889 0.21160 0.01801 24 2S -0.01483 0.06281 0.20345 0.32234 0.02316 25 3S 0.68238 0.79665 -4.18441 -5.93299 -0.85214 26 4PX -0.00494 -0.00570 -0.00731 -0.01111 0.00101 27 4PY 0.00832 0.01083 -0.00993 -0.01336 0.01069 28 4PZ -0.00805 -0.00269 0.00821 0.00878 0.01478 29 5PX 0.16498 0.21048 0.48640 0.77577 0.14408 30 5PY -0.21685 -0.16944 0.61021 0.71400 0.05750 31 5PZ 0.14241 0.11271 -0.47156 -0.70742 -0.11496 32 6PX 0.04601 0.17727 0.22991 0.44287 0.19640 33 6PY -0.27609 0.03694 0.42715 0.69917 0.24009 34 6PZ -0.08241 0.13778 -0.38913 -0.52874 0.13320 35 7D 0 0.05700 0.01090 -0.00448 -0.07331 0.11955 36 7D+1 0.01459 0.01727 0.12219 -0.08739 0.05887 37 7D-1 -0.13766 -0.10952 0.03423 -0.02177 -0.03177 38 7D+2 0.00812 0.10489 -0.03616 0.03579 0.03578 39 7D-2 -0.14571 0.16170 0.06685 -0.05452 0.04691 40 8D 0 -0.06969 -0.01263 -0.01131 0.11457 -0.16635 41 8D+1 -0.03343 -0.02306 -0.18912 0.18107 -0.09495 42 8D-1 0.19300 0.16801 -0.06480 0.00310 0.04384 43 8D+2 -0.03504 -0.16564 0.05726 -0.03802 -0.06098 44 8D-2 0.20301 -0.24917 -0.15638 0.06221 -0.08934 45 3 Cu 1S 0.00357 0.02800 0.13718 -0.21019 0.01892 46 2S 0.00671 0.07163 0.20049 -0.31901 0.02449 47 3S -0.72529 0.51041 -4.14079 5.96247 -0.88901 48 4PX 0.00422 0.00275 0.00811 -0.00910 0.01545 49 4PY -0.00942 0.00842 -0.01214 0.01672 0.00829 50 4PZ 0.00858 -0.00736 -0.00241 0.00483 0.00472 51 5PX -0.03175 -0.04472 -0.46409 0.75870 -0.14299 52 5PY 0.22080 -0.08682 0.74946 -0.94652 0.10905 53 5PZ -0.23723 0.26488 0.20111 -0.36299 0.08335 54 6PX 0.13193 0.07089 -0.33820 0.48904 0.08964 55 6PY 0.25136 0.10072 0.51265 -0.83742 0.24268 56 6PZ -0.05484 0.21842 0.01756 -0.11977 0.20722 57 7D 0 -0.03791 0.05557 0.02656 -0.01611 0.01415 58 7D+1 -0.01875 0.03258 0.11172 0.12909 0.11438 59 7D-1 0.17593 0.14426 0.05037 0.03314 0.03113 60 7D+2 -0.04308 -0.02088 -0.06031 0.00389 0.06629 61 7D-2 0.09888 -0.15365 0.05082 0.00991 -0.06061 62 8D 0 0.08055 -0.08481 -0.02247 -0.01987 -0.02915 63 8D+1 0.02437 -0.04305 -0.19476 -0.22646 -0.17130 64 8D-1 -0.23620 -0.22351 -0.12698 -0.02315 -0.06773 65 8D+2 0.06090 0.03207 0.09106 0.00122 -0.08790 66 8D-2 -0.13971 0.23865 -0.07092 0.00029 0.09043 67 4 Cu 1S 0.00125 -0.04042 -0.03092 -0.00185 0.05627 68 2S -0.00006 -0.04744 -0.03656 -0.00150 0.10746 69 3S 0.09604 0.88954 1.25407 0.11114 -0.78812 70 4PX -0.01363 0.00098 0.00728 0.00742 -0.01208 71 4PY 0.00191 -0.01537 0.01168 -0.00148 -0.00417 72 4PZ 0.00977 0.00570 0.00764 -0.00497 -0.01614 73 5PX 0.26943 -0.10571 -0.13525 0.11102 0.35014 74 5PY -0.04156 0.24332 0.16050 -0.00170 0.46216 75 5PZ -0.16677 -0.19435 -0.23311 -0.09440 0.39427 76 6PX 0.33860 0.08684 -0.25879 -0.06623 -0.09249 77 6PY 0.04279 -1.00826 0.06101 0.01276 -0.34885 78 6PZ -0.25181 0.36296 -0.39268 0.04806 -0.09155 79 7D 0 -0.04553 -0.00656 0.05618 0.05210 -0.02225 80 7D+1 -0.00353 0.02848 0.20237 -0.00416 -0.01272 81 7D-1 -0.11924 -0.10366 0.12894 0.12694 -0.04314 82 7D+2 0.08344 -0.06215 -0.00314 -0.08322 -0.04189 83 7D-2 0.16239 -0.03770 0.11418 -0.16590 -0.01598 84 8D 0 0.08692 -0.00634 -0.10238 -0.06982 0.04860 85 8D+1 -0.00045 -0.06544 -0.35326 -0.00355 0.02045 86 8D-1 0.18513 0.15995 -0.23181 -0.23228 0.07713 87 8D+2 -0.13710 0.08110 -0.00366 0.13815 0.09067 88 8D-2 -0.24831 0.06030 -0.20146 0.30874 0.02343 89 5 Cu 1S 0.04801 0.11939 0.02023 -0.10976 -0.01181 90 2S 0.05454 0.21673 0.04459 -0.19649 -0.05054 91 3S -1.45929 -2.16389 -1.07931 2.83193 -0.16494 92 4PX -0.00141 0.00032 0.00123 0.00116 -0.00308 93 4PY 0.00172 0.00340 0.00243 0.00161 -0.00747 94 4PZ 0.00902 0.00063 0.00074 -0.00320 0.00879 95 5PX 0.12863 0.28933 0.37563 -0.21630 0.11851 96 5PY -0.27146 -0.43673 0.11313 0.54861 -0.03626 97 5PZ -0.32282 -0.19294 -0.10215 0.24708 0.01823 98 6PX -0.05251 0.28702 0.40887 -0.23168 0.05255 99 6PY -0.22300 0.03676 -0.07296 0.59044 0.01248 100 6PZ 0.08260 -0.41936 -0.10750 0.34532 -0.07199 101 7D 0 -0.07240 0.04432 -0.06995 0.06823 -0.01195 102 7D+1 0.10392 0.01628 -0.12898 -0.04962 0.04250 103 7D-1 0.06125 -0.03881 -0.04158 0.00144 -0.04186 104 7D+2 0.06175 0.07843 0.08072 0.15289 0.11196 105 7D-2 0.14184 -0.05299 -0.11030 0.10357 -0.03606 106 8D 0 0.09965 -0.04602 0.09852 -0.11239 0.03232 107 8D+1 -0.14266 -0.00883 0.21515 0.06161 -0.07036 108 8D-1 -0.11409 0.03203 0.06949 0.02813 0.05539 109 8D+2 -0.08181 -0.09502 -0.14620 -0.24867 -0.15877 110 8D-2 -0.19798 0.10335 0.17529 -0.18923 0.06128 111 6 Cu 1S 0.00073 -0.08089 -0.19035 0.00045 -0.07356 112 2S 0.00093 -0.11437 -0.28773 0.00083 -0.09796 113 3S -0.03660 2.81241 5.90632 0.00360 2.38896 114 4PX -0.00126 -0.00189 -0.01418 0.00725 -0.00650 115 4PY 0.00015 0.00001 -0.00348 -0.00100 -0.00449 116 4PZ 0.00121 -0.00303 -0.01930 -0.00491 -0.00811 117 5PX 0.10384 0.23742 0.75356 -0.02323 0.34595 118 5PY -0.00642 0.00925 0.54062 -0.00113 0.04178 119 5PZ -0.07968 0.34981 0.95427 0.01119 0.48424 120 6PX 0.24740 0.16844 0.57000 0.03852 0.20941 121 6PY -0.03530 -0.19252 0.22659 -0.01142 0.35131 122 6PZ -0.18023 0.27082 0.77476 -0.02985 0.23341 123 7D 0 0.11458 -0.01071 0.07858 0.01157 -0.02724 124 7D+1 -0.03507 0.03311 0.04301 0.01379 -0.10124 125 7D-1 0.09536 0.10295 -0.10121 0.11877 -0.06161 126 7D+2 -0.09864 -0.00996 0.07199 -0.05671 0.00221 127 7D-2 -0.09740 0.07645 -0.09059 -0.15987 -0.05789 128 8D 0 -0.15756 0.01199 -0.11257 -0.01578 0.05205 129 8D+1 0.04980 -0.06873 -0.07293 -0.02692 0.15760 130 8D-1 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16 7D+2 0.04842 -0.10549 0.18218 0.00856 0.00222 17 7D-2 -0.03092 -0.19242 0.01717 0.07885 -0.13337 18 8D 0 0.12851 -0.10053 -0.18166 0.01799 -0.12329 19 8D+1 -0.05892 0.00664 -0.07931 0.02071 -0.19498 20 8D-1 -0.02210 -0.25138 -0.14502 0.11780 0.34838 21 8D+2 -0.06531 0.16168 -0.28562 -0.02699 0.01067 22 8D-2 0.06153 0.32094 -0.03710 -0.14700 0.24072 23 2 Cu 1S 0.00237 0.02663 0.01248 0.04957 0.08924 24 2S -0.00878 0.04463 0.00322 0.08856 0.15058 25 3S -0.48164 -0.57136 0.10604 -1.39794 -2.32652 26 4PX -0.00201 -0.00083 -0.00053 -0.00523 -0.00430 27 4PY -0.00943 0.00856 -0.00648 -0.00058 -0.00225 28 4PZ -0.00393 0.00821 0.00123 -0.00164 0.00192 29 5PX 0.10726 0.07056 0.11404 0.21232 0.19233 30 5PY 0.09899 0.11450 0.23089 0.04656 0.59171 31 5PZ -0.11967 0.01302 -0.04088 -0.05989 0.07379 32 6PX 0.04838 0.04784 0.00606 -0.02701 0.23904 33 6PY 0.16851 -0.21189 -0.01778 0.51015 -0.04028 34 6PZ 0.05218 -0.36452 -0.33505 -0.12911 -0.40687 35 7D 0 -0.04648 0.12183 0.14121 -0.06859 0.07511 36 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6PZ -0.05786 0.05516 -0.07459 0.15987 0.06475 57 7D 0 0.05526 -0.02112 -0.09475 0.09554 -0.01115 58 7D+1 0.05584 -0.09144 0.10786 0.05165 -0.01603 59 7D-1 0.02767 -0.08107 -0.04198 -0.07411 0.10028 60 7D+2 0.06867 -0.10306 0.06793 0.01508 0.11536 61 7D-2 0.05900 0.04444 -0.02029 -0.14535 -0.04553 62 8D 0 -0.08424 0.02672 0.15952 -0.16979 0.03908 63 8D+1 -0.08890 0.13263 -0.16713 -0.09907 0.01950 64 8D-1 -0.03831 0.12924 0.06641 0.14146 -0.18829 65 8D+2 -0.10127 0.13136 -0.09227 -0.01449 -0.15700 66 8D-2 -0.09955 -0.05799 0.06575 0.24757 0.04860 67 4 Cu 1S 0.00088 0.00009 -0.06176 0.00317 0.01012 68 2S 0.00120 0.00026 -0.04348 0.00202 0.02905 69 3S 0.02473 -0.00235 5.39320 -0.33329 -1.97798 70 4PX -0.01742 0.00093 0.02748 0.01080 -0.01244 71 4PY 0.00250 -0.00016 -0.03542 0.00029 0.02075 72 4PZ 0.01255 -0.00072 0.04458 -0.01201 -0.02150 73 5PX 0.57842 -0.02764 -0.54963 -0.65298 -0.01617 74 5PY -0.10423 0.00684 -0.03375 0.11733 0.32394 75 5PZ -0.40200 0.01940 -0.63702 0.52450 -0.13004 76 6PX 0.66345 0.06806 -0.22400 0.37545 0.49914 77 6PY -0.08579 -0.01704 0.16079 -0.06088 0.83459 78 6PZ -0.45399 -0.05321 -0.36542 -0.23444 0.48506 79 7D 0 -0.02348 -0.01737 0.06087 -0.21450 0.05735 80 7D+1 -0.00390 0.00821 -0.01656 0.08983 -0.04466 81 7D-1 -0.08572 0.00533 -0.03399 -0.01748 -0.00941 82 7D+2 0.04899 0.00577 0.13907 0.10907 0.12498 83 7D-2 0.10946 -0.01187 -0.07060 -0.02198 -0.04856 84 8D 0 0.01447 0.02997 -0.09815 0.33594 -0.10913 85 8D+1 0.02003 -0.01466 0.05310 -0.14556 0.03594 86 8D-1 0.15422 -0.01233 -0.02502 0.01331 0.06075 87 8D+2 -0.07470 -0.00847 -0.26431 -0.15841 -0.19044 88 8D-2 -0.20676 0.02514 0.07620 0.06360 0.10315 89 5 Cu 1S 0.03569 -0.02124 0.11275 -0.08885 -0.04340 90 2S 0.09602 -0.04722 0.23267 -0.17323 -0.07864 91 3S -0.52647 0.23940 -1.95158 1.60296 1.06545 92 4PX -0.00848 -0.00726 -0.00596 0.00002 0.00185 93 4PY 0.01163 -0.00359 0.00938 -0.00075 -0.01439 94 4PZ -0.01136 0.00003 0.00255 -0.00763 -0.00114 95 5PX 0.02963 0.01810 0.14910 -0.06779 0.09858 96 5PY -0.08830 0.03102 -0.06630 0.25032 0.32276 97 5PZ -0.11202 0.01382 -0.44265 0.32118 0.21699 98 6PX -0.06412 -0.07055 0.27053 -0.21393 -0.22148 99 6PY 0.08011 0.04719 -0.20320 0.23376 -0.17322 100 6PZ -0.21863 -0.00009 -0.20744 -0.08796 0.23348 101 7D 0 -0.15183 -0.04479 -0.01141 -0.18885 0.13778 102 7D+1 0.00619 -0.15258 -0.08254 0.12871 0.06695 103 7D-1 0.09466 -0.16177 0.13040 -0.05448 0.04249 104 7D+2 0.06469 0.19108 0.02379 -0.00028 0.17301 105 7D-2 -0.04260 -0.04770 -0.00349 -0.04421 -0.00754 106 8D 0 0.21387 0.07193 -0.00119 0.30184 -0.22376 107 8D+1 -0.00795 0.25655 0.15299 -0.22141 -0.12183 108 8D-1 -0.16333 0.26894 -0.22430 0.10214 -0.07873 109 8D+2 -0.09744 -0.29297 -0.04725 -0.01566 -0.31583 110 8D-2 0.05353 0.06810 0.00494 0.05754 0.02112 111 6 Cu 1S 0.00074 0.00110 0.01242 0.00020 -0.11346 112 2S 0.00068 0.00196 -0.02595 0.00384 -0.17208 113 3S -0.03317 -0.02248 -0.06956 -0.00267 2.61920 114 4PX 0.01373 0.00855 0.00608 -0.00431 -0.00675 115 4PY -0.00227 -0.00130 -0.00594 0.00108 0.00661 116 4PZ -0.00939 -0.00602 0.01059 0.00201 -0.01147 117 5PX 0.05821 0.15388 -0.21936 0.19826 0.36918 118 5PY -0.01232 -0.02593 0.05692 -0.03257 0.28614 119 5PZ -0.05045 -0.11245 -0.33529 -0.10828 0.45565 120 6PX -0.14208 -0.40640 -0.07620 -0.50696 0.39710 121 6PY 0.00531 0.06219 -0.27989 0.10192 0.41574 122 6PZ 0.09532 0.27956 0.02497 0.35637 0.47088 123 7D 0 -0.10999 -0.12119 0.02649 -0.12650 -0.02125 124 7D+1 0.05791 0.06198 0.08922 0.05439 0.01833 125 7D-1 0.07174 0.06239 -0.12923 0.04618 -0.09691 126 7D+2 0.02585 0.03738 -0.03917 0.05323 -0.07485 127 7D-2 -0.12807 -0.11661 -0.07483 -0.08018 -0.04418 128 8D 0 0.15446 0.15360 -0.05531 0.18706 0.03431 129 8D+1 -0.08299 -0.08182 -0.18229 -0.07930 -0.03319 130 8D-1 -0.11209 -0.10112 0.21539 -0.08720 0.19551 131 8D+2 -0.03136 -0.03831 0.07259 -0.07232 0.13600 132 8D-2 0.19456 0.17750 0.11943 0.14167 0.09392 133 7 Cu 1S -0.03365 0.02040 0.12492 0.07079 -0.04517 134 2S -0.09266 0.04527 0.25789 0.13602 -0.08200 135 3S 0.48345 -0.23077 -2.15423 -1.31509 1.09697 136 4PX 0.00580 -0.00154 0.00669 0.00653 -0.00433 137 4PY -0.01063 0.00498 0.00789 -0.00141 -0.01379 138 4PZ 0.01358 0.00621 -0.00618 0.00317 0.00403 139 5PX 0.12063 -0.01296 -0.51898 -0.30350 0.24390 140 5PY 0.05667 -0.03433 0.00609 -0.18569 0.30456 141 5PZ -0.00883 -0.01863 -0.00380 -0.01128 0.11508 142 6PX 0.17044 -0.03174 -0.32077 0.00691 0.25036 143 6PY -0.10582 -0.02793 -0.13020 -0.18131 -0.24602 144 6PZ 0.15985 0.06855 0.22803 0.22686 -0.08676 145 7D 0 -0.10274 -0.09495 -0.04870 -0.14116 0.11650 146 7D+1 0.10992 0.19130 -0.07686 0.02746 0.07627 147 7D-1 -0.02732 0.02392 0.06103 0.04161 0.05811 148 7D+2 0.03831 -0.06252 0.09566 0.16711 0.18313 149 7D-2 -0.10842 0.20164 0.08899 -0.04997 -0.01544 150 8D 0 0.14576 0.13505 0.09218 0.24228 -0.22337 151 8D+1 -0.15741 -0.30975 0.13098 -0.03405 -0.12113 152 8D-1 0.05644 -0.03811 -0.10463 -0.05515 -0.10221 153 8D+2 -0.04249 0.09186 -0.18304 -0.26771 -0.31521 154 8D-2 0.17479 -0.33324 -0.14662 0.06364 0.01869 155 8 C 1S -0.00114 0.00006 -0.03872 0.00314 0.03446 156 2S 0.01326 -0.00168 1.06398 -0.07273 -0.65713 157 3S -0.02711 0.00278 -1.69719 0.11978 1.36876 158 4PX 0.10682 0.00057 0.00268 0.02228 0.02024 159 4PY -0.01654 0.00008 0.00008 -0.00437 -0.00560 160 4PZ -0.07579 -0.00073 0.00317 -0.01412 0.03021 161 5PX -0.84808 0.05071 0.25523 0.40227 -0.04374 162 5PY 0.13473 -0.00909 0.10035 -0.07697 0.17891 163 5PZ 0.59968 -0.03789 0.25426 -0.31598 -0.08618 164 9 O 1S 0.00044 -0.00004 0.00164 -0.00029 -0.00533 165 2S -0.00356 0.00012 0.02929 0.00033 0.04554 166 3S 0.00288 0.00000 0.14991 -0.01252 -0.16753 167 4PX -0.48344 0.03955 0.08189 0.23235 0.01751 168 4PY 0.07833 -0.00745 -0.05783 -0.03345 0.19636 169 4PZ 0.34101 -0.02950 0.08587 -0.17411 -0.01575 170 5PX 0.93154 -0.07637 -0.17312 -0.48839 -0.04077 171 5PY -0.15225 0.01493 -0.08763 0.08478 -0.30950 172 5PZ -0.65589 0.05655 -0.13074 0.36321 0.00067 141 142 143 144 145 V V V V V EIGENVALUES -- 0.86178 0.87068 0.87193 0.90054 0.90564 1 1 Cu 1S 0.00407 0.12051 -0.01254 0.03014 0.00062 2 2S 0.00732 0.17039 -0.01898 0.05321 0.00091 3 3S -0.06470 -3.18233 0.29965 0.61114 -0.02284 4 4PX -0.00613 -0.00954 0.00642 -0.00111 -0.01064 5 4PY 0.00070 -0.01911 0.00091 0.01409 0.00167 6 4PZ 0.00388 -0.01081 -0.00327 -0.00452 0.00750 7 5PX 0.20100 0.40800 -0.24493 -0.01999 -0.04173 8 5PY -0.01316 0.82986 -0.04522 0.08005 -0.00025 9 5PZ -0.13008 0.45555 0.10864 -0.03843 0.04188 10 6PX -0.23188 0.20222 0.15120 -0.14548 -0.22049 11 6PY 0.04150 0.07065 -0.03052 -0.18247 0.04259 12 6PZ 0.18410 0.22933 -0.15056 -0.15942 0.15234 13 7D 0 -0.19057 -0.04641 0.23508 -0.03411 -0.08625 14 7D+1 0.09258 0.08000 -0.12049 -0.10673 0.03541 15 7D-1 0.06880 -0.07492 -0.09970 0.04829 0.00472 16 7D+2 0.07010 -0.20620 -0.05480 0.02763 0.04847 17 7D-2 -0.13746 0.04218 0.19896 0.01556 -0.02610 18 8D 0 0.34895 0.07459 -0.42284 0.08062 0.14063 19 8D+1 -0.16998 -0.17680 0.22196 0.19645 -0.05949 20 8D-1 -0.12736 0.11949 0.19264 -0.11139 -0.01955 21 8D+2 -0.12749 0.37438 0.09400 -0.02724 -0.07661 22 8D-2 0.25237 -0.09352 -0.37248 -0.05178 0.05814 23 2 Cu 1S 0.08424 0.04002 -0.03032 0.07001 -0.05882 24 2S 0.11316 0.04027 -0.04480 0.09517 -0.09210 25 3S -2.00645 -0.51299 0.57601 -1.93800 2.12269 26 4PX -0.00028 -0.00010 0.00055 -0.01737 -0.00704 27 4PY -0.00801 -0.00598 -0.00831 -0.00390 0.00824 28 4PZ 0.00573 0.00556 -0.01069 0.00801 -0.01885 29 5PX 0.29415 0.09298 -0.07776 0.08934 -0.21597 30 5PY 0.11143 0.62745 0.35220 0.69932 -0.40383 31 5PZ -0.50308 -0.00202 0.50582 -0.72733 0.25093 32 6PX 0.66558 0.41128 -0.15033 0.09425 0.02752 33 6PY -0.03747 0.32674 -0.43196 0.23361 -0.23781 34 6PZ -0.15032 0.38879 -0.32309 -0.16398 0.34271 35 7D 0 -0.03702 -0.04522 0.14288 0.06698 -0.12310 36 7D+1 -0.00581 -0.05798 0.07084 -0.04257 0.13987 37 7D-1 -0.06848 -0.12622 0.01157 -0.14722 0.00148 38 7D+2 0.06767 -0.01557 0.06967 -0.15373 0.17603 39 7D-2 0.06908 -0.04691 0.03477 0.02555 0.04315 40 8D 0 0.03658 0.09986 -0.21190 -0.14183 0.19715 41 8D+1 0.01611 0.10487 -0.14482 0.10048 -0.27281 42 8D-1 0.11216 0.25432 -0.01611 0.31197 0.00929 43 8D+2 -0.11681 0.05404 -0.10475 0.31222 -0.32002 44 8D-2 -0.12195 0.07267 -0.07354 -0.06274 -0.05248 45 3 Cu 1S -0.08474 0.04959 0.02511 0.07292 0.05525 46 2S -0.11534 0.05402 0.04087 0.09799 0.08830 47 3S 2.04183 -0.73633 -0.53151 -2.00873 -2.00997 48 4PX -0.00369 0.00629 0.01100 0.01260 0.01321 49 4PY 0.00837 -0.00599 0.00747 -0.00843 -0.00799 50 4PZ -0.00302 0.00315 0.00156 -0.01245 0.01461 51 5PX 0.51813 -0.03145 -0.55996 -0.57098 -0.18225 52 5PY -0.22429 0.58985 -0.34188 0.80750 0.43524 53 5PZ -0.09248 -0.00637 -0.04780 -0.26653 0.06874 54 6PX 0.37003 0.33404 0.26386 -0.13310 -0.25945 55 6PY -0.10648 0.42462 0.33469 0.28789 0.24677 56 6PZ -0.56401 0.51333 0.10613 -0.01492 -0.17695 57 7D 0 -0.05245 -0.01290 -0.03533 -0.15099 -0.22635 58 7D+1 0.02569 -0.09012 -0.10715 0.06068 -0.00777 59 7D-1 -0.06843 -0.08737 -0.02140 -0.08467 -0.10120 60 7D+2 0.02871 -0.07217 -0.09669 -0.06742 0.06134 61 7D-2 0.08442 -0.09084 0.04854 -0.11875 -0.00014 62 8D 0 0.07833 0.03849 0.06844 0.31805 0.41777 63 8D+1 -0.03309 0.16106 0.18904 -0.11913 0.03821 64 8D-1 0.12232 0.16349 0.04068 0.16602 0.15302 65 8D+2 -0.02677 0.15664 0.11835 0.13602 -0.09288 66 8D-2 -0.14521 0.18099 -0.07896 0.25985 -0.00743 67 4 Cu 1S -0.00152 -0.04832 0.00437 0.04412 0.00104 68 2S 0.00135 0.00660 -0.00059 0.22917 -0.00295 69 3S 0.16528 3.90803 -0.36647 0.48314 -0.12217 70 4PX -0.01782 0.00139 0.00022 0.01618 0.00244 71 4PY 0.00138 -0.04696 0.00442 -0.02151 0.00036 72 4PZ 0.01422 0.01175 -0.00145 0.02704 -0.00268 73 5PX 0.63532 0.12240 -0.01379 -1.13387 -0.11401 74 5PY -0.05912 1.39214 -0.12559 2.56955 -0.02832 75 5PZ -0.49569 -0.10888 0.01080 -2.19357 0.13539 76 6PX 0.33412 -0.07473 -0.11372 0.13752 0.28881 77 6PY -0.06242 0.19844 0.01578 0.41618 -0.03284 78 6PZ -0.26096 -0.08932 0.10646 0.10376 -0.18075 79 7D 0 0.00026 -0.05661 0.04189 0.01236 -0.10319 80 7D+1 0.00122 0.01279 -0.01657 0.05248 0.05322 81 7D-1 0.00221 0.00454 0.00575 -0.16665 0.04128 82 7D+2 -0.00360 -0.10853 -0.00893 -0.06517 0.04081 83 7D-2 -0.00480 0.03752 -0.00410 -0.09128 -0.08276 84 8D 0 0.03147 0.08186 -0.07384 -0.03240 0.19950 85 8D+1 -0.01655 -0.00802 0.02870 -0.13226 -0.09924 86 8D-1 -0.01361 -0.04810 -0.00221 0.40304 -0.05818 87 8D+2 -0.00742 0.13903 0.01944 0.15772 -0.08781 88 8D-2 0.02866 -0.07803 0.00219 0.21977 0.13109 89 5 Cu 1S 0.03002 0.01092 0.01059 -0.03823 0.05297 90 2S 0.01838 0.03555 0.02660 -0.06789 0.07082 91 3S -1.14785 0.02196 -0.00587 2.09754 -1.40944 92 4PX -0.00927 -0.00415 0.00014 0.00292 -0.00936 93 4PY 0.00804 0.00021 -0.00475 0.00075 -0.00057 94 4PZ 0.00314 -0.00163 0.00048 -0.01859 0.00072 95 5PX 0.34446 -0.01266 0.06416 -0.23909 0.21202 96 5PY -0.23451 0.16399 0.10111 0.17317 -0.34718 97 5PZ -0.23914 -0.07088 0.02120 0.18967 -0.08439 98 6PX -0.16279 -0.13077 -0.04557 -0.30172 -0.00494 99 6PY -0.07352 -0.20116 -0.09755 0.09900 -0.16645 100 6PZ -0.00253 -0.30340 0.03676 0.26265 -0.27868 101 7D 0 0.13351 -0.04732 0.06374 -0.03210 -0.06978 102 7D+1 0.22564 0.12061 0.13810 0.01110 -0.02810 103 7D-1 -0.05755 0.17908 0.12178 0.00116 0.12407 104 7D+2 0.04019 0.14962 0.14317 0.00685 0.10292 105 7D-2 -0.17690 -0.05014 -0.03658 0.10411 0.10160 106 8D 0 -0.24462 0.06051 -0.11058 0.03411 0.14708 107 8D+1 -0.41130 -0.22112 -0.26186 -0.00453 0.05976 108 8D-1 0.09978 -0.33637 -0.23114 -0.02427 -0.25602 109 8D+2 -0.06613 -0.27303 -0.24852 -0.01379 -0.17375 110 8D-2 0.33499 0.07761 0.06601 -0.20191 -0.17873 111 6 Cu 1S 0.00351 -0.02463 -0.00033 0.10047 -0.00135 112 2S 0.00438 -0.04235 -0.00016 0.11327 -0.00057 113 3S -0.08146 0.63298 -0.00161 -2.65409 0.01971 114 4PX -0.00534 0.00078 -0.01085 0.01102 0.01247 115 4PY 0.00081 0.00686 0.00107 0.01202 -0.00260 116 4PZ 0.00452 0.00168 0.00716 0.01242 -0.00909 117 5PX 0.56805 0.02063 0.32742 -0.59607 0.11668 118 5PY -0.09243 0.00411 -0.04489 0.19878 -0.02013 119 5PZ -0.43707 -0.02150 -0.21530 -0.88783 -0.06350 120 6PX 0.18240 -0.04113 -0.31108 -0.23735 -0.03136 121 6PY -0.03307 0.70850 -0.00753 0.25433 0.00859 122 6PZ -0.15133 -0.14801 0.24859 -0.40692 0.02888 123 7D 0 -0.04396 0.03722 -0.05797 0.10731 -0.09558 124 7D+1 0.01692 -0.10748 0.04040 0.08969 0.01738 125 7D-1 -0.02610 -0.02588 0.04723 -0.06654 -0.15046 126 7D+2 0.03821 0.13410 -0.00606 0.09683 0.11806 127 7D-2 0.02353 -0.08157 -0.07417 -0.06546 0.17962 128 8D 0 0.02999 -0.07218 0.07883 -0.23138 0.14276 129 8D+1 -0.01165 0.16740 -0.05997 -0.20064 -0.01708 130 8D-1 0.03866 0.03464 -0.08806 0.12179 0.27374 131 8D+2 -0.04023 -0.23156 0.02596 -0.21035 -0.19761 132 8D-2 -0.04523 0.13233 0.13461 0.12590 -0.33737 133 7 Cu 1S -0.02579 0.00915 -0.01232 -0.04287 -0.05358 134 2S -0.01037 0.03073 -0.03194 -0.07605 -0.07049 135 3S 1.09240 0.01999 0.01424 2.18277 1.42884 136 4PX -0.00722 -0.00010 0.00044 -0.01825 -0.00363 137 4PY -0.00488 0.00038 0.00416 0.00373 0.00189 138 4PZ 0.00829 -0.00470 -0.00008 -0.00358 0.00804 139 5PX 0.35687 -0.03506 -0.01009 0.30446 0.22978 140 5PY 0.11777 0.15013 -0.12338 0.10405 0.28255 141 5PZ -0.27916 -0.06556 -0.03575 -0.18448 -0.21205 142 6PX -0.05164 -0.27401 0.02536 0.36140 0.29838 143 6PY 0.10921 -0.15505 0.12791 0.01352 0.10989 144 6PZ 0.14090 -0.20614 0.05105 -0.20749 0.07486 145 7D 0 -0.15991 0.15974 -0.18483 0.00050 -0.04058 146 7D+1 -0.19869 -0.00906 -0.08354 0.01712 0.07053 147 7D-1 0.18773 0.05327 -0.05264 0.08973 -0.17739 148 7D+2 -0.08560 0.05427 -0.13134 -0.05042 -0.01843 149 7D-2 -0.00288 0.14891 -0.12557 -0.02232 -0.06325 150 8D 0 0.28971 -0.28065 0.33197 0.01865 0.06389 151 8D+1 0.36084 -0.00002 0.16318 -0.03445 -0.14629 152 8D-1 -0.35412 -0.11035 0.09808 -0.18155 0.32635 153 8D+2 0.15693 -0.11887 0.23298 0.06573 0.02782 154 8D-2 0.01449 -0.26820 0.24306 0.03492 0.14887 155 8 C 1S -0.00110 -0.02842 0.00281 0.00986 0.00070 156 2S 0.01819 0.52435 -0.05133 -0.91725 -0.00435 157 3S -0.01272 -0.60089 0.06234 2.97634 -0.01480 158 4PX -0.03068 -0.01663 0.00040 -0.11765 0.03564 159 4PY 0.00561 -0.06261 0.00611 0.28505 -0.00505 160 4PZ 0.01831 -0.00853 0.00259 -0.23273 -0.02267 161 5PX -0.05162 -0.15439 -0.02510 -0.08454 0.13681 162 5PY 0.01240 -0.14589 0.02146 0.58575 -0.02736 163 5PZ 0.03367 -0.18765 0.04515 -0.26826 -0.08215 164 9 O 1S 0.00002 0.00539 -0.00051 -0.00775 -0.00005 165 2S 0.00082 0.00069 0.00017 -0.00643 -0.00036 166 3S 0.00137 -0.00361 -0.00070 -0.04655 0.00117 167 4PX 0.02324 -0.01064 -0.02377 0.03805 0.02362 168 4PY -0.00718 -0.13256 0.01822 0.31022 -0.00096 169 4PZ -0.01641 0.02477 0.01606 -0.02425 -0.01541 170 5PX -0.01866 0.08382 0.04506 -0.08829 -0.08791 171 5PY 0.00562 0.10806 -0.02244 -0.31056 0.01218 172 5PZ 0.01562 0.08179 -0.04664 -0.04587 0.05503 146 147 148 149 150 V V V V V EIGENVALUES -- 0.92289 0.94120 0.98713 1.03135 1.03479 1 1 Cu 1S -0.04993 -0.03159 0.23107 0.00070 -0.01336 2 2S -0.07142 -0.09982 0.44982 0.00185 -0.06669 3 3S 1.23388 -0.47348 -1.32998 -0.00010 0.17318 4 4PX 0.00209 -0.00439 -0.00843 0.01064 0.00771 5 4PY -0.00009 -0.01375 0.00433 -0.00170 -0.00533 6 4PZ 0.00334 -0.00319 -0.01253 -0.00774 0.01203 7 5PX -0.22726 0.01803 0.26204 -0.25519 -0.03597 8 5PY 0.02594 0.53021 0.09772 0.04102 0.03863 9 5PZ -0.32576 -0.08054 0.34689 0.18127 -0.05585 10 6PX -0.07769 0.09652 0.04515 0.11672 -0.05794 11 6PY -0.34996 0.01239 0.08307 -0.01834 -0.19355 12 6PZ -0.02491 0.14331 0.05252 -0.08376 -0.04409 13 7D 0 0.01697 -0.09748 0.04662 0.02681 -0.04989 14 7D+1 0.15798 0.02074 0.22055 0.01135 -0.17106 15 7D-1 -0.14158 -0.00090 0.08760 0.14460 -0.07094 16 7D+2 -0.11853 -0.17633 -0.04313 -0.07671 0.01120 17 7D-2 -0.04901 0.05696 0.10504 -0.18687 -0.07574 18 8D 0 -0.02199 0.20598 -0.10093 -0.05944 0.09234 19 8D+1 -0.28946 -0.04031 -0.46571 -0.02261 0.34486 20 8D-1 0.28966 -0.00601 -0.20346 -0.30600 0.13548 21 8D+2 0.24207 0.36862 0.08211 0.16394 -0.03819 22 8D-2 0.10422 -0.12399 -0.23163 0.39459 0.15252 23 2 Cu 1S 0.04162 0.06043 -0.03598 -0.09854 0.05716 24 2S 0.05915 0.05846 -0.06150 -0.18084 0.11425 25 3S -1.41784 -0.99472 0.39276 1.69549 -0.89679 26 4PX 0.00081 -0.00924 0.02258 0.00829 -0.00353 27 4PY -0.01623 -0.00333 -0.00103 0.01690 -0.00630 28 4PZ 0.00225 0.00854 0.00565 -0.01351 0.01046 29 5PX 0.12026 -0.05126 -0.00905 -0.23813 0.15381 30 5PY 0.18600 0.39748 0.23754 -0.14486 0.16260 31 5PZ -0.37671 -0.62258 -0.10888 0.37224 0.03082 32 6PX 0.05664 0.04371 0.29504 -0.41686 0.19017 33 6PY 0.29955 0.25441 0.05700 -0.04615 0.18256 34 6PZ -0.06734 -0.08165 0.08879 0.11963 0.11187 35 7D 0 0.01861 0.03753 -0.01912 -0.03132 -0.08854 36 7D+1 0.11406 -0.03048 0.06271 0.07790 -0.17089 37 7D-1 -0.01973 -0.09687 -0.03232 0.09926 -0.02928 38 7D+2 -0.12935 -0.04546 0.00677 -0.04280 -0.04738 39 7D-2 0.19698 0.00663 -0.04824 -0.16930 -0.00635 40 8D 0 -0.06320 -0.10492 0.06403 0.08011 0.19378 41 8D+1 -0.19580 0.07140 -0.11076 -0.16993 0.32946 42 8D-1 0.03552 0.21987 0.10972 -0.16956 0.03365 43 8D+2 0.22867 0.13035 -0.04417 0.08741 0.09822 44 8D-2 -0.37835 -0.01533 0.08517 0.34093 -0.01266 45 3 Cu 1S 0.04526 0.06294 -0.03798 0.09755 0.05960 46 2S 0.06439 0.05960 -0.06484 0.17870 0.11961 47 3S -1.54418 -1.10001 0.44181 -1.69269 -0.93253 48 4PX -0.00075 0.01084 -0.00241 0.01145 0.00971 49 4PY -0.01653 -0.00687 0.00335 -0.01953 -0.00849 50 4PZ 0.00452 -0.00486 0.02298 -0.00053 0.00118 51 5PX -0.36163 -0.49677 -0.03890 -0.39838 0.00618 52 5PY 0.28671 0.48261 0.23339 0.24387 0.18852 53 5PZ -0.04189 -0.31168 -0.08113 0.06472 0.13342 54 6PX -0.03997 -0.05546 0.01333 -0.23765 0.07403 55 6PY 0.32526 0.27683 0.10442 0.14587 0.20143 56 6PZ -0.02038 -0.02650 0.28034 0.33614 0.19799 57 7D 0 -0.08867 -0.05785 0.05901 -0.05154 -0.09981 58 7D+1 0.17621 0.01614 0.02592 -0.00386 -0.16493 59 7D-1 0.10958 -0.04788 -0.05268 0.12834 -0.00936 60 7D+2 -0.13479 -0.01799 -0.02464 -0.01099 -0.04887 61 7D-2 -0.01511 -0.08814 0.00442 -0.16594 -0.03330 62 8D 0 0.17790 0.15766 -0.14076 0.11852 0.19793 63 8D+1 -0.32975 -0.05296 -0.02377 0.01017 0.32519 64 8D-1 -0.21859 0.11665 0.09894 -0.26847 -0.01238 65 8D+2 0.22356 0.03948 0.06706 -0.00396 0.11333 66 8D-2 0.04321 0.19827 0.03925 0.31704 0.04412 67 4 Cu 1S -0.00772 -0.03364 0.06778 0.00240 -0.02584 68 2S 0.01140 0.29830 0.19265 0.00840 -0.10482 69 3S 0.97292 6.07453 -1.03958 -0.01824 0.08545 70 4PX -0.00167 0.01090 0.00226 -0.02010 0.00598 71 4PY -0.01309 -0.00839 -0.00168 0.00284 0.01772 72 4PZ 0.00010 0.01722 0.00327 0.01423 0.00515 73 5PX -0.00175 -0.79674 -0.51573 -0.02490 0.20580 74 5PY 0.56756 1.22821 1.34460 0.02567 -0.31832 75 5PZ -0.11264 -1.40476 -1.04384 -0.01484 0.36442 76 6PX -0.20004 -0.38265 0.33346 -0.01020 -0.06884 77 6PY -0.30434 -0.07969 -0.04055 0.00434 -0.09453 78 6PZ -0.22240 -0.53940 0.48519 0.01599 -0.07819 79 7D 0 -0.09907 0.00302 -0.02007 0.02165 -0.06661 80 7D+1 -0.07269 -0.03647 -0.03996 0.01733 -0.19704 81 7D-1 -0.03221 0.04338 -0.05229 0.16345 -0.08893 82 7D+2 -0.11939 0.04497 -0.02087 -0.08208 -0.00631 83 7D-2 0.00304 0.01564 -0.03083 -0.21955 -0.08799 84 8D 0 0.19098 0.00664 0.02708 -0.06371 0.13219 85 8D+1 0.12229 0.09054 0.02424 -0.02705 0.41668 86 8D-1 0.04435 -0.10914 0.23715 -0.32720 0.15207 87 8D+2 0.23555 -0.08750 0.10013 0.17742 -0.01235 88 8D-2 -0.02308 -0.04679 0.13183 0.43883 0.16849 89 5 Cu 1S 0.02045 -0.05642 0.15756 -0.00468 0.00653 90 2S 0.02050 -0.15863 0.31569 0.04210 0.03789 91 3S -0.66959 -0.40486 -0.17768 0.06501 -0.27659 92 4PX 0.00719 -0.00455 -0.00640 0.00187 -0.00457 93 4PY 0.00732 0.00284 0.00595 0.00869 0.00293 94 4PZ 0.00271 0.01730 -0.00503 -0.00172 -0.00559 95 5PX 0.15574 -0.04279 0.14305 -0.17680 0.15545 96 5PY -0.10189 0.02270 -0.17392 -0.01283 0.09006 97 5PZ -0.06392 -0.61169 0.09869 0.03179 0.09588 98 6PX 0.18962 0.02101 -0.05864 0.09687 0.02651 99 6PY 0.09543 0.10576 -0.16488 -0.02387 -0.06925 100 6PZ -0.16138 -0.14295 -0.03976 -0.11600 -0.16337 101 7D 0 -0.04553 0.25778 0.00488 -0.00744 -0.06057 102 7D+1 -0.06013 -0.04456 -0.13535 0.02835 -0.08266 103 7D-1 0.04989 -0.08567 0.05975 0.14003 -0.08585 104 7D+2 -0.03823 -0.07741 -0.04343 -0.05486 -0.00937 105 7D-2 0.10868 -0.04685 -0.20818 -0.08317 -0.08691 106 8D 0 0.09143 -0.52544 -0.00035 0.00458 0.12139 107 8D+1 0.12588 0.09558 0.28622 -0.07108 0.17314 108 8D-1 -0.09996 0.15946 -0.14426 -0.28029 0.19662 109 8D+2 0.05122 0.15500 0.08992 0.11207 0.00152 110 8D-2 -0.19418 0.09109 0.43274 0.15348 0.17825 111 6 Cu 1S -0.05684 0.12139 -0.06031 0.00075 -0.12794 112 2S -0.10057 0.11613 -0.11353 0.00063 -0.23618 113 3S 2.02555 -2.65624 0.81832 -0.02523 2.33777 114 4PX -0.00543 0.01497 -0.00639 -0.00474 -0.01336 115 4PY 0.01898 0.00192 -0.02069 0.00069 -0.00671 116 4PZ -0.01231 0.02053 -0.00500 0.00368 -0.01734 117 5PX 0.24875 -0.60798 -0.02080 -0.21774 0.36281 118 5PY 0.05012 0.12529 0.10455 0.03452 0.14211 119 5PZ 0.34222 -0.88900 -0.05886 0.13897 0.48688 120 6PX 0.19279 -0.29999 -0.02212 -0.19919 0.24379 121 6PY -0.08252 -0.02408 0.05932 0.02755 0.33516 122 6PZ 0.28812 -0.42168 -0.06034 0.13325 0.28398 123 7D 0 -0.11431 0.05375 -0.02507 -0.04141 -0.10196 124 7D+1 -0.00491 0.11659 -0.03432 0.03298 -0.10961 125 7D-1 0.03969 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-0.00955 -0.02178 -0.00487 -0.00605 51 5PX 0.24636 -0.11742 -0.08601 -0.81024 1.33859 52 5PY -0.29386 0.05152 0.13151 -1.07074 0.00348 53 5PZ -0.17987 0.10494 0.04241 -0.66481 -0.58689 54 6PX 0.20113 -0.08887 -0.05230 -0.51490 0.43765 55 6PY -0.21563 0.09058 0.11019 -0.40149 0.15863 56 6PZ -0.09268 0.02182 0.01100 -0.59027 -0.77940 57 7D 0 0.21633 -0.13963 -0.05874 -0.00585 0.02406 58 7D+1 -0.00235 -0.05341 -0.06013 0.04925 0.04387 59 7D-1 -0.17685 0.09768 0.09363 -0.09068 -0.06801 60 7D+2 -0.04394 0.00380 0.03573 0.19957 -0.16844 61 7D-2 -0.04015 0.10602 0.01005 -0.06146 0.04483 62 8D 0 -0.46835 0.30166 0.15605 0.02261 -0.03337 63 8D+1 -0.01780 0.09472 0.11732 -0.18388 -0.12026 64 8D-1 0.37120 -0.22263 -0.18351 0.23115 0.21992 65 8D+2 0.08955 -0.01619 -0.06432 -0.57213 0.47133 66 8D-2 0.08882 -0.19958 -0.01402 0.15821 -0.16233 67 4 Cu 1S 0.00077 0.02411 0.01171 0.03516 -0.00144 68 2S 0.00020 0.10468 0.15768 0.08283 -0.00248 69 3S -0.03913 -0.19440 0.86483 -0.25172 0.02694 70 4PX 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0.26460 -0.00497 110 8D-2 -0.31378 0.14328 -0.23319 0.20806 0.43075 111 6 Cu 1S -0.00180 -0.04930 0.00284 0.01715 -0.00132 112 2S -0.00212 -0.08799 -0.03584 -0.10700 0.00405 113 3S 0.04301 0.97325 -0.47411 -2.06847 0.09866 114 4PX -0.00416 -0.00223 0.00055 0.01285 0.00856 115 4PY 0.00030 0.00505 0.02004 -0.01151 -0.00099 116 4PZ 0.00240 -0.00461 -0.00341 0.01980 -0.00739 117 5PX 0.02961 0.07713 -0.13566 -0.55622 1.27435 118 5PY -0.00293 0.08210 -0.06814 -0.80694 -0.15727 119 5PZ -0.00621 0.09097 -0.17153 -0.72158 -0.84390 120 6PX 0.03256 0.08523 -0.06691 -0.14628 0.74042 121 6PY -0.00478 0.01931 0.06556 -0.92580 -0.07473 122 6PZ -0.01424 0.11092 -0.10285 -0.08718 -0.50668 123 7D 0 0.04995 -0.04637 0.04280 0.00360 0.20451 124 7D+1 -0.02942 0.09886 -0.11496 -0.01078 -0.08258 125 7D-1 -0.05259 -0.06016 0.13482 0.10461 0.02909 126 7D+2 -0.00997 -0.15912 0.19051 0.02518 -0.12247 127 7D-2 0.08342 0.01668 0.02658 0.06362 0.00437 128 8D 0 -0.09740 0.09200 -0.11330 -0.00355 -0.58833 129 8D+1 0.05429 -0.21853 0.23412 -0.00222 0.24406 130 8D-1 0.08366 0.14209 -0.27777 -0.31351 -0.04977 131 8D+2 0.02913 0.33773 -0.43312 -0.04394 0.33707 132 8D-2 -0.13675 -0.02677 -0.04207 -0.20796 -0.05764 133 7 Cu 1S 0.02396 -0.00458 -0.03358 0.09905 -0.18373 134 2S 0.04075 -0.02325 -0.05916 0.12619 -0.20738 135 3S -0.46350 -0.10368 0.10408 -1.76998 3.86553 136 4PX -0.00344 0.00402 0.01518 0.01837 -0.03977 137 4PY -0.00123 0.01468 -0.00986 0.00789 -0.01388 138 4PZ -0.01243 0.00848 -0.00232 -0.00517 0.01517 139 5PX 0.01156 -0.08154 -0.21387 -0.52086 1.14944 140 5PY -0.13853 -0.18214 0.13685 -0.62038 0.68035 141 5PZ 0.15069 0.03137 -0.05850 0.11253 -0.80355 142 6PX -0.15159 0.00122 0.06234 -0.00870 0.15127 143 6PY -0.07630 -0.04509 -0.04892 0.13673 0.38641 144 6PZ 0.07279 0.03251 0.00120 0.35651 -0.13941 145 7D 0 -0.01322 0.00591 -0.09062 -0.08360 0.03605 146 7D+1 -0.07929 0.10680 -0.14752 -0.03680 0.14978 147 7D-1 -0.18520 -0.01878 0.15172 -0.04857 0.08926 148 7D+2 -0.01920 0.04468 0.09883 0.01939 -0.09328 149 7D-2 -0.05942 0.19881 -0.00929 0.12205 -0.14510 150 8D 0 0.05193 -0.03422 0.20791 0.23590 -0.07321 151 8D+1 0.16298 -0.20868 0.30919 0.09336 -0.38916 152 8D-1 0.39577 0.03909 -0.34200 0.13033 -0.24655 153 8D+2 0.04445 -0.11678 -0.20637 -0.02342 0.22935 154 8D-2 0.10954 -0.42354 0.02022 -0.31736 0.37923 155 8 C 1S -0.00002 0.00549 0.01572 -0.01024 0.00073 156 2S -0.01023 -0.37149 -0.37858 -0.14292 0.00948 157 3S 0.02289 0.90095 0.80664 0.26986 -0.02359 158 4PX 0.01363 0.00535 0.05199 -0.02045 0.00028 159 4PY -0.00017 -0.08067 -0.22705 0.08101 -0.00594 160 4PZ -0.01101 0.02786 0.13006 -0.04690 0.00583 161 5PX -0.16329 -0.12903 -0.10604 -0.14664 0.18835 162 5PY 0.02757 0.11198 0.25556 -0.04369 -0.03299 163 5PZ 0.10989 -0.21691 -0.20519 -0.22838 -0.12000 164 9 O 1S 0.00017 0.00359 0.00104 0.00927 -0.00048 165 2S -0.00284 -0.03450 0.02554 -0.15585 0.00864 166 3S 0.00168 -0.06113 -0.15300 0.20944 -0.01172 167 4PX -0.02705 0.00327 -0.01220 -0.02717 0.03784 168 4PY 0.00625 0.00327 -0.04189 -0.04081 -0.00636 169 4PZ 0.01934 0.00288 -0.00577 -0.03774 -0.02634 170 5PX 0.08286 0.02355 0.05332 0.08036 -0.12524 171 5PY -0.01439 -0.03987 -0.08510 0.20880 0.01376 172 5PZ -0.05941 0.04687 0.09262 0.08833 0.08750 156 157 158 159 160 V V V V V EIGENVALUES -- 1.22092 1.25200 1.28837 1.29298 1.29615 1 1 Cu 1S 0.04511 0.00216 -0.00019 0.01455 -0.00104 2 2S 0.06935 0.00307 0.00099 -0.02284 -0.00811 3 3S -0.15121 -0.01628 0.01646 -0.66215 -0.07097 4 4PX -0.00272 0.00378 -0.01830 -0.00546 -0.01289 5 4PY 0.01213 -0.00078 0.00345 -0.01457 0.00065 6 4PZ -0.00650 -0.00289 0.01300 -0.00540 0.00751 7 5PX 0.05675 0.18033 0.22376 -0.06263 0.71782 8 5PY -0.11967 -0.01791 -0.05915 0.75543 -0.03822 9 5PZ 0.12534 -0.12535 -0.14757 -0.14941 -0.50765 10 6PX 0.00756 -0.07342 -0.11840 0.21884 -0.65867 11 6PY 0.04504 0.00775 0.03265 -0.42902 0.06460 12 6PZ -0.00945 0.05791 0.06645 0.29975 0.49828 13 7D 0 0.05392 -0.02237 -0.11596 -0.10081 -0.21829 14 7D+1 -0.01423 0.00640 0.04969 -0.02185 0.08048 15 7D-1 0.00591 -0.01673 -0.02749 0.01835 -0.07088 16 7D+2 0.09504 0.01782 0.08095 -0.17960 0.12764 17 7D-2 -0.02838 0.01943 0.00411 0.05741 0.05262 18 8D 0 -0.13493 0.07622 0.30241 0.28968 0.64586 19 8D+1 0.02050 -0.02295 -0.13056 0.08009 -0.23681 20 8D-1 -0.01322 0.05453 0.07451 -0.05688 0.20573 21 8D+2 -0.22459 -0.05974 -0.21364 0.50871 -0.37668 22 8D-2 0.06730 -0.06119 -0.01361 -0.16340 -0.14910 23 2 Cu 1S 0.00261 -0.03447 0.03994 0.00558 0.03757 24 2S -0.01783 -0.09591 0.10222 0.00773 0.11151 25 3S -0.53273 -0.56379 0.23043 -0.09441 0.41813 26 4PX 0.00197 0.00648 0.00011 -0.01290 0.03192 27 4PY -0.01235 -0.02358 0.00190 0.02277 0.02200 28 4PZ 0.01542 0.02090 -0.01829 0.01732 0.01540 29 5PX 0.06366 -0.00595 -0.00609 0.52788 -1.01758 30 5PY 0.42926 0.27611 -0.22679 -0.34795 -0.49554 31 5PZ -0.12297 -0.55564 0.25365 -0.20403 -0.33742 32 6PX 0.16469 0.19562 -0.11648 -0.24979 0.55678 33 6PY 0.02875 -0.01726 0.10240 0.43723 0.49111 34 6PZ 0.05626 0.20034 -0.07351 0.30537 0.62253 35 7D 0 -0.01058 0.12163 0.00180 0.04245 0.19921 36 7D+1 -0.07568 0.04588 0.19880 0.01492 0.12013 37 7D-1 -0.09359 -0.22757 0.09612 0.01291 0.09576 38 7D+2 -0.08305 -0.08358 0.05824 0.15431 -0.11030 39 7D-2 -0.00794 0.12905 0.15567 0.11364 -0.09492 40 8D 0 0.03966 -0.32579 -0.01830 -0.12135 -0.56784 41 8D+1 0.19164 -0.11908 -0.53824 -0.07009 -0.35067 42 8D-1 0.23660 0.58743 -0.26359 -0.02248 -0.28069 43 8D+2 0.21603 0.20264 -0.16696 -0.44228 0.31473 44 8D-2 0.01718 -0.33686 -0.42753 -0.35256 0.24818 45 3 Cu 1S 0.00268 0.03720 -0.04332 0.01045 -0.03554 46 2S -0.01784 0.10098 -0.11040 0.02143 -0.10770 47 3S -0.55855 0.54437 -0.23287 -0.06988 -0.44710 48 4PX 0.01179 -0.01196 0.01489 0.02666 -0.00386 49 4PY -0.01448 0.02454 -0.00640 0.01980 -0.02235 50 4PZ 0.00968 -0.01629 0.00717 -0.00244 -0.03271 51 5PX -0.06701 0.44698 -0.16236 -0.43237 0.01313 52 5PY 0.44948 -0.33506 0.28700 -0.25704 0.60868 53 5PZ -0.06255 0.23907 -0.15076 0.28361 1.05325 54 6PX 0.02238 -0.11250 -0.02048 0.48752 -0.40721 55 6PY 0.06720 0.01909 -0.11386 0.37680 -0.43770 56 6PZ 0.17722 -0.24577 0.16680 -0.05354 -0.67631 57 7D 0 -0.09300 0.08191 -0.11759 0.05723 0.07158 58 7D+1 -0.02670 -0.16907 -0.16618 0.04494 -0.19841 59 7D-1 -0.06099 0.01027 -0.18848 0.11462 0.12845 60 7D+2 -0.05727 0.07145 0.02478 0.08951 -0.10267 61 7D-2 -0.08091 0.22820 -0.06983 -0.05268 -0.13512 62 8D 0 0.23636 -0.20585 0.32102 -0.17666 -0.20805 63 8D+1 0.07234 0.44053 0.45891 -0.15744 0.57135 64 8D-1 0.15268 -0.02034 0.52248 -0.35148 -0.34871 65 8D+2 0.15657 -0.17022 -0.05441 -0.23477 0.29013 66 8D-2 0.20015 -0.59474 0.18286 0.16231 0.38945 67 4 Cu 1S -0.03854 -0.00281 0.00154 -0.03161 -0.00155 68 2S -0.07797 -0.00619 0.00465 -0.10010 -0.00507 69 3S 0.46221 0.02611 -0.00274 -0.02727 -0.01066 70 4PX -0.00867 -0.00659 0.01123 -0.02638 0.01485 71 4PY 0.00958 0.00132 -0.00075 -0.03294 -0.00605 72 4PZ -0.01443 0.00291 -0.00610 -0.02852 -0.01439 73 5PX 0.05962 0.20809 -0.36187 0.70797 -0.52758 74 5PY 0.24062 -0.01222 0.02655 0.93479 0.18834 75 5PZ 0.01975 -0.13468 0.21574 0.74575 0.48242 76 6PX -0.09030 -0.21453 0.23957 -0.33487 0.37160 77 6PY -0.11026 0.02432 -0.01514 -0.52548 -0.10696 78 6PZ -0.10713 0.14039 -0.14794 -0.30232 -0.30610 79 7D 0 0.12570 -0.06602 0.06656 0.12303 0.10609 80 7D+1 0.27483 0.06201 -0.03970 0.05257 -0.03656 81 7D-1 0.05698 0.15919 -0.04672 -0.09050 -0.00699 82 7D+2 0.04381 -0.03142 -0.01785 0.15153 -0.03233 83 7D-2 0.06400 -0.24508 0.09454 -0.09802 0.02118 84 8D 0 -0.32357 0.17257 -0.18676 -0.34286 -0.30587 85 8D+1 -0.72743 -0.16683 0.11152 -0.14277 0.10673 86 8D-1 -0.14246 -0.44000 0.13353 0.25162 0.02105 87 8D+2 -0.09906 0.09301 0.04899 -0.42651 0.09434 88 8D-2 -0.16899 0.67501 -0.26810 0.27428 -0.06285 89 5 Cu 1S 0.01218 -0.00145 -0.00073 -0.00118 -0.01064 90 2S 0.02789 -0.00974 0.01139 0.00378 0.01110 91 3S -0.07876 0.15467 0.03456 0.07472 0.33043 92 4PX 0.00948 0.00804 0.01437 0.01408 -0.00596 93 4PY 0.00094 0.01208 0.00631 0.00492 -0.01183 94 4PZ 0.01718 -0.01499 0.00750 0.00717 -0.00201 95 5PX 0.05885 -0.08361 -0.21836 -0.44713 0.10457 96 5PY 0.14375 -0.12880 -0.15500 -0.47803 0.04469 97 5PZ -0.19291 0.17989 0.01224 0.13959 0.33158 98 6PX 0.00433 0.07131 0.05822 0.33672 -0.18775 99 6PY -0.04921 0.09203 0.09407 0.37632 0.14837 100 6PZ 0.03280 -0.01723 -0.05860 -0.12400 -0.22819 101 7D 0 0.08539 -0.10750 0.00706 -0.03913 -0.06920 102 7D+1 -0.05361 0.03265 -0.01090 0.03661 0.00553 103 7D-1 0.01950 -0.01795 0.02013 0.05749 -0.01487 104 7D+2 -0.00133 -0.08244 -0.12384 -0.18854 0.06985 105 7D-2 0.01077 0.03033 0.04494 0.05395 -0.03060 106 8D 0 -0.20619 0.26217 -0.00456 0.12847 0.20334 107 8D+1 0.13759 -0.07956 0.01711 -0.10957 -0.02499 108 8D-1 -0.04107 0.04791 -0.05521 -0.15624 0.05482 109 8D+2 -0.01996 0.21418 0.32792 0.54270 -0.17564 110 8D-2 -0.02732 -0.06862 -0.12073 -0.14245 0.09088 111 6 Cu 1S 0.08436 0.00444 -0.00100 0.06729 0.00345 112 2S 0.21665 0.01040 -0.00344 0.20546 0.01279 113 3S 0.76909 0.00542 -0.01351 0.62330 0.06632 114 4PX -0.02212 -0.00073 -0.01320 -0.01329 -0.01796 115 4PY 0.01795 0.00014 0.00346 -0.03030 0.00039 116 4PZ -0.03560 -0.00064 0.00963 -0.01482 0.01048 117 5PX 0.41478 0.00868 0.04417 0.43329 -0.16297 118 5PY -0.13053 0.00150 -0.04473 0.75839 0.09363 119 5PZ 0.60373 0.01528 -0.04748 0.45717 0.18101 120 6PX -0.06219 0.14229 -0.14384 -0.11294 0.03935 121 6PY 0.27129 -0.02064 0.04882 -0.43535 -0.03604 122 6PZ -0.13978 -0.11146 0.10641 -0.07936 -0.03536 123 7D 0 -0.18358 0.00372 0.02874 -0.02823 -0.00620 124 7D+1 -0.29992 -0.01015 0.01807 -0.16915 -0.02650 125 7D-1 0.08616 0.01274 0.16881 -0.11364 -0.09873 126 7D+2 -0.07726 -0.00943 -0.08883 0.02701 0.04232 127 7D-2 0.05455 -0.01286 -0.21344 -0.14036 0.11327 128 8D 0 0.44836 -0.00875 -0.06708 0.07299 0.03917 129 8D+1 0.74040 0.02577 -0.05539 0.47713 0.07101 130 8D-1 -0.20764 -0.03159 -0.46460 0.30543 0.31754 131 8D+2 0.18579 0.02275 0.23889 -0.08811 -0.14963 132 8D-2 -0.12941 0.03221 0.58994 0.39469 -0.36828 133 7 Cu 1S 0.01059 0.00339 0.00016 -0.00324 0.00737 134 2S 0.02574 0.01311 -0.01202 0.00159 -0.01514 135 3S -0.03696 -0.15976 -0.02928 0.09707 -0.28940 136 4PX 0.01230 0.01514 -0.00410 0.00261 0.00229 137 4PY 0.00078 -0.01571 -0.00840 0.00457 0.01351 138 4PZ 0.01492 0.00044 -0.01615 0.01253 0.00690 139 5PX -0.15034 -0.17782 -0.05703 0.20663 -0.23772 140 5PY 0.17417 0.16571 0.24425 -0.54355 -0.11524 141 5PZ -0.03982 -0.01219 0.20408 -0.22394 -0.24834 142 6PX 0.01888 0.01842 0.06478 -0.16163 0.09357 143 6PY -0.03890 -0.10147 -0.14923 0.44486 -0.06017 144 6PZ 0.02301 -0.04328 -0.04099 0.14776 0.29837 145 7D 0 -0.06288 0.00743 0.12217 -0.09418 -0.10126 146 7D+1 0.01021 0.00696 -0.04334 0.04768 0.06870 147 7D-1 0.01296 0.00179 -0.00684 0.00474 0.00442 148 7D+2 0.07204 0.14315 0.06594 -0.12097 -0.00898 149 7D-2 -0.01672 -0.02835 -0.04168 0.09688 0.02335 150 8D 0 0.13971 -0.02561 -0.31477 0.26293 0.27904 151 8D+1 -0.01345 -0.01443 0.11667 -0.13177 -0.18494 152 8D-1 -0.03800 -0.01475 0.01948 0.00241 -0.02565 153 8D+2 -0.18412 -0.35477 -0.19099 0.36174 0.00651 154 8D-2 0.05363 0.06990 0.11927 -0.27746 -0.06711 155 8 C 1S 0.00786 0.00044 0.00008 -0.00302 -0.00012 156 2S -0.08287 -0.00504 -0.00237 0.05853 0.00018 157 3S 0.24706 0.01781 -0.00361 0.08420 0.01267 158 4PX 0.04376 0.07931 -0.03110 -0.01230 0.00205 159 4PY 0.03539 -0.01008 0.00127 0.09906 0.00659 160 4PZ 0.05622 -0.05288 0.02415 -0.03429 -0.00234 161 5PX -0.03763 0.03386 0.02353 -0.05926 -0.01234 162 5PY 0.11632 -0.00209 -0.00120 -0.10540 -0.00798 163 5PZ -0.07561 -0.03438 -0.01228 -0.06648 -0.00145 164 9 O 1S -0.01108 -0.00080 0.00041 -0.00783 -0.00046 165 2S 0.13166 0.00946 -0.00481 0.09522 0.00535 166 3S -0.14026 -0.01026 0.00469 -0.10613 -0.00705 167 4PX -0.00701 0.01052 0.00124 0.00173 -0.01098 168 4PY 0.04100 0.00112 -0.00211 0.04204 0.00528 169 4PZ -0.01895 -0.00972 0.00011 -0.00968 0.00775 170 5PX 0.00100 -0.06445 0.00874 -0.00451 0.02916 171 5PY -0.09591 0.00597 0.00026 -0.03998 -0.00849 172 5PZ 0.02015 0.04927 -0.00744 0.00655 -0.02226 161 162 163 164 165 V V V V V EIGENVALUES -- 1.31517 1.31892 1.32176 1.35699 1.55813 1 1 Cu 1S 0.00037 -0.05536 0.00312 -0.09646 -0.75127 2 2S 0.00080 -0.14448 0.00939 -0.21737 -1.56321 3 3S -0.00508 -0.07121 0.01426 0.06792 0.62647 4 4PX 0.01026 -0.00276 -0.00843 -0.00723 -0.00647 5 4PY -0.00123 -0.01097 0.00233 0.02328 -0.01627 6 4PZ -0.00742 -0.00099 0.00606 -0.01591 -0.00568 7 5PX 0.38632 -0.10830 -0.07809 0.10232 0.56649 8 5PY -0.08556 0.74906 -0.05520 -0.00213 0.42253 9 5PZ -0.24414 -0.31208 0.09202 0.16286 0.72021 10 6PX -0.43367 0.04374 0.11183 -0.05887 -0.18125 11 6PY 0.08588 -0.48638 0.02333 -0.06867 0.00460 12 6PZ 0.29268 0.16381 -0.09438 -0.08323 -0.27825 13 7D 0 -0.06502 -0.13176 -0.00694 0.07138 0.00856 14 7D+1 0.03041 -0.02522 0.01095 0.05060 0.05069 15 7D-1 -0.01736 0.03659 -0.00293 -0.00005 0.06747 16 7D+2 0.05285 -0.18493 0.02697 0.07572 -0.00082 17 7D-2 0.00205 0.08039 -0.01238 -0.01953 0.05454 18 8D 0 0.23985 0.38865 -0.00054 -0.17565 -0.04738 19 8D+1 -0.10930 0.07815 -0.02478 -0.12715 -0.17184 20 8D-1 0.06023 -0.09148 -0.00291 -0.00783 -0.21357 21 8D+2 -0.18474 0.54835 -0.06436 -0.18309 -0.02262 22 8D-2 -0.00683 -0.22464 0.04385 0.04162 -0.16574 23 2 Cu 1S -0.02718 0.00358 0.00122 -0.02930 -0.03302 24 2S -0.06904 0.00532 -0.01439 -0.07825 0.03752 25 3S -0.05283 -0.05639 -0.24001 -0.55166 0.97288 26 4PX -0.00864 0.01182 0.00974 -0.01288 0.01688 27 4PY 0.01908 0.00697 -0.01868 0.00457 0.01261 28 4PZ 0.01753 0.00508 -0.01627 0.01231 -0.02388 29 5PX 0.06513 -0.51762 -0.53068 0.21239 0.07459 30 5PY -0.85803 -0.20228 0.85536 0.21535 -0.33648 31 5PZ -0.97592 -0.51145 0.31516 -0.45233 0.77706 32 6PX -0.04526 0.42791 0.52809 -0.06632 -0.32535 33 6PY 1.05029 0.11162 -0.82399 0.04062 -0.37706 34 6PZ 1.09594 0.40260 -0.42133 0.28986 -0.00013 35 7D 0 0.16697 0.09603 -0.02522 0.04409 -0.06662 36 7D+1 -0.10791 -0.00612 0.09702 -0.05366 -0.00659 37 7D-1 0.00336 0.01848 -0.01662 -0.19704 -0.05670 38 7D+2 0.10981 -0.09520 -0.19019 0.02427 0.03756 39 7D-2 -0.06598 -0.07377 0.03251 0.06064 -0.00730 40 8D 0 -0.48727 -0.28724 0.06929 -0.12834 0.22013 41 8D+1 0.32902 0.03383 -0.28991 0.13627 0.02838 42 8D-1 0.00144 -0.03666 0.06958 0.59223 0.17156 43 8D+2 -0.30837 0.27896 0.55468 -0.07025 -0.12836 44 8D-2 0.22112 0.23500 -0.09616 -0.17757 0.01483 45 3 Cu 1S 0.02903 0.00363 0.00014 -0.02992 -0.03514 46 2S 0.07429 0.00810 0.01967 -0.07900 0.03301 47 3S 0.05984 -0.01851 0.25853 -0.51866 0.97215 48 4PX -0.02378 0.00498 0.02113 0.01635 -0.02511 49 4PY -0.01503 0.00967 0.01285 0.00096 0.01891 50 4PZ 0.00417 0.01083 -0.00823 -0.00782 0.00549 51 5PX 1.14100 -0.39884 -0.56817 -0.43085 0.62247 52 5PY 0.70537 -0.30638 -0.64271 0.29294 -0.41914 53 5PZ 0.19393 -0.51774 0.61021 -0.00648 0.38052 54 6PX -1.26602 0.31581 0.68086 0.30267 0.02561 55 6PY -0.87062 0.20641 0.60393 -0.00446 -0.43730 56 6PZ -0.21952 0.41659 -0.54480 0.03794 -0.22364 57 7D 0 0.02357 -0.06963 0.09736 -0.02278 0.04989 58 7D+1 0.02612 0.03964 -0.12629 0.00730 -0.05008 59 7D-1 0.03026 -0.08230 0.06107 -0.01088 -0.00909 60 7D+2 -0.22822 0.06379 0.14122 -0.01765 -0.04424 61 7D-2 0.06962 0.03159 -0.06204 -0.20861 -0.04096 62 8D 0 -0.07822 0.20945 -0.28067 0.05421 -0.16080 63 8D+1 -0.08964 -0.10353 0.37487 -0.03825 0.17001 64 8D-1 -0.12198 0.26024 -0.18907 0.03822 0.01470 65 8D+2 0.66807 -0.19557 -0.41561 0.06343 0.13978 66 8D-2 -0.20620 -0.08128 0.16120 0.61802 0.12778 67 4 Cu 1S 0.00013 -0.00774 0.00054 0.04749 0.34296 68 2S 0.00038 -0.01942 0.00141 0.19553 0.78210 69 3S 0.00359 -0.08482 0.00683 -0.02369 -1.24060 70 4PX -0.01643 -0.02949 -0.04662 0.00835 0.01756 71 4PY 0.00453 -0.04515 0.01151 -0.04217 -0.02037 72 4PZ 0.01355 -0.02118 0.03703 0.02115 0.02931 73 5PX 0.42295 0.78868 1.39669 -0.15006 0.02908 74 5PY -0.11730 1.23279 -0.33621 1.29391 -0.71064 75 5PZ -0.34352 0.53190 -1.08739 -0.51625 0.22794 76 6PX -0.43712 -0.39182 -0.96172 -0.06305 -0.04131 77 6PY 0.09322 -0.56372 0.18925 -0.25659 -0.29909 78 6PZ 0.32919 -0.18408 0.70933 -0.01792 0.01865 79 7D 0 -0.07885 0.10101 -0.27210 -0.00032 0.03181 80 7D+1 0.02956 -0.01243 0.10716 -0.09468 0.04355 81 7D-1 -0.01809 -0.04712 -0.04755 0.28468 -0.05606 82 7D+2 0.03897 0.23061 0.13853 0.15347 0.00708 83 7D-2 0.01156 -0.09853 0.01142 0.14203 -0.03855 84 8D 0 0.22521 -0.28588 0.78827 -0.00860 -0.10283 85 8D+1 -0.08463 0.03620 -0.31040 0.25957 -0.12681 86 8D-1 0.04977 0.13774 0.13903 -0.79981 0.14496 87 8D+2 -0.11107 -0.65653 -0.40355 -0.44381 -0.04346 88 8D-2 -0.03037 0.28247 -0.03517 -0.39492 0.10776 89 5 Cu 1S 0.00241 -0.02537 -0.02156 -0.10482 -0.40440 90 2S 0.01591 -0.05629 -0.07318 -0.20289 -0.83098 91 3S 0.21570 -0.04478 -0.17515 0.38847 -0.60701 92 4PX -0.00357 -0.01038 -0.00027 0.00272 -0.00439 93 4PY -0.00662 -0.00365 0.00546 0.00965 0.00937 94 4PZ -0.00056 -0.00030 0.00657 -0.02001 0.00790 95 5PX -0.71767 0.35188 -0.01127 -0.02222 0.35182 96 5PY -0.16559 -0.07634 0.37240 -0.31251 -0.38973 97 5PZ -0.34122 0.28687 -0.80088 0.37032 -0.42719 98 6PX 0.68152 -0.24096 -0.01835 -0.02726 0.01819 99 6PY 0.31064 -0.06674 -0.38334 0.22359 0.21720 100 6PZ 0.36808 -0.24254 0.65954 -0.18310 0.10777 101 7D 0 0.09695 -0.08922 0.21448 -0.14417 0.02968 102 7D+1 -0.01928 0.01752 -0.08324 0.05741 -0.04925 103 7D-1 0.03868 -0.02857 0.05615 -0.01592 0.04990 104 7D+2 -0.14265 0.10484 0.04511 -0.08383 -0.00505 105 7D-2 0.07957 -0.05709 0.01423 -0.03698 -0.00925 106 8D 0 -0.28706 0.26775 -0.65600 0.41066 -0.08367 107 8D+1 0.06365 -0.06325 0.24076 -0.15655 0.14436 108 8D-1 -0.12411 0.07451 -0.15929 0.03439 -0.14326 109 8D+2 0.47644 -0.29817 -0.15744 0.23497 0.01464 110 8D-2 -0.25863 0.16619 -0.04397 0.09707 0.03752 111 6 Cu 1S -0.00354 0.06136 -0.00536 -0.05735 -0.20426 112 2S -0.00976 0.17686 -0.01549 -0.11486 -0.32994 113 3S -0.01250 0.26106 -0.02715 0.26740 1.22300 114 4PX 0.03656 0.00124 0.01009 -0.00089 -0.01564 115 4PY -0.00581 0.02202 -0.00373 0.00533 -0.00370 116 4PZ -0.02520 -0.00807 -0.00652 -0.00325 -0.02090 117 5PX -1.57537 -0.05570 -0.25417 -0.01916 0.27062 118 5PY 0.26914 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0.00740 138 4PZ 0.00291 -0.00890 0.00032 -0.00563 -0.00316 139 5PX 0.10679 0.26635 0.62060 0.28975 -0.59620 140 5PY 0.27528 -0.11607 -0.47076 -0.35420 -0.24951 141 5PZ 0.73003 0.54075 0.25676 0.15861 0.23305 142 6PX -0.16960 -0.27640 -0.50548 -0.12067 0.13845 143 6PY -0.39158 -0.01047 0.48825 0.23639 0.18788 144 6PZ -0.69607 -0.39376 -0.20438 -0.12931 0.02870 145 7D 0 0.15958 0.15415 0.06233 0.02850 -0.04287 146 7D+1 -0.08853 -0.08842 -0.03061 -0.02340 -0.02464 147 7D-1 -0.02816 -0.02748 -0.03084 -0.05681 0.00998 148 7D+2 0.00625 -0.05334 -0.20969 -0.15264 0.05219 149 7D-2 -0.02442 -0.00714 0.03778 0.06176 0.03000 150 8D 0 -0.52153 -0.45472 -0.17141 -0.07833 0.12218 151 8D+1 0.27660 0.25517 0.10243 0.07220 0.07540 152 8D-1 0.08948 0.08120 0.09621 0.14911 -0.01934 153 8D+2 -0.04605 0.16950 0.64204 0.43098 -0.15281 154 8D-2 0.08737 0.00471 -0.12460 -0.18096 -0.08799 155 8 C 1S 0.00004 -0.00120 0.00009 0.01805 -0.02383 156 2S 0.00295 -0.07187 0.00738 -0.40806 0.20686 157 3S -0.00689 0.23693 -0.01774 0.85662 -1.99432 158 4PX -0.00699 0.02264 0.01042 0.09281 -0.07086 159 4PY -0.00179 0.06396 -0.00929 -0.31632 0.35588 160 4PZ 0.00367 0.01753 -0.01118 0.20737 -0.18784 161 5PX -0.02616 -0.15360 -0.14843 -0.02340 0.22847 162 5PY 0.01131 -0.16499 0.04257 0.04107 0.26448 163 5PZ 0.02950 -0.15537 0.13211 -0.04657 0.24437 164 9 O 1S 0.00001 -0.00208 0.00007 0.00589 0.05186 165 2S 0.00060 0.01674 0.00060 0.00548 -1.15655 166 3S -0.00047 -0.04956 0.00043 -0.26496 2.17651 167 4PX 0.00334 -0.00858 -0.01275 0.01362 0.03252 168 4PY -0.00088 0.00623 0.00127 -0.06842 0.01951 169 4PZ -0.00142 -0.01238 0.01082 0.03700 0.03818 170 5PX -0.00216 0.02535 0.04432 -0.02524 -0.21552 171 5PY -0.00194 0.04558 -0.01252 -0.09163 0.62714 172 5PZ -0.00028 0.01991 -0.03527 -0.01195 -0.45175 166 167 168 169 170 V V V V V EIGENVALUES -- 1.68386 1.80449 1.84356 2.21539 2.24845 1 1 Cu 1S -0.38859 -0.00191 0.40894 -0.01207 0.31943 2 2S -0.80404 -0.00418 0.89082 -0.02653 0.67837 3 3S -0.25160 0.01414 0.28308 0.08774 -1.22982 4 4PX -0.00863 -0.00892 0.01573 0.00565 0.00717 5 4PY -0.00390 0.00125 0.01390 -0.00080 0.00373 6 4PZ -0.01104 0.00613 0.01947 -0.00486 0.00871 7 5PX 0.40887 0.27286 -0.57862 0.06034 -0.34979 8 5PY 0.35779 -0.03750 -0.65444 -0.00305 -0.16994 9 5PZ 0.50094 -0.19131 -0.69891 -0.01430 -0.48057 10 6PX -0.12325 0.10958 0.25112 0.30743 0.12241 11 6PY 0.03927 -0.02019 0.24023 -0.04846 -0.19608 12 6PZ -0.18325 -0.08028 0.31783 -0.23439 0.18352 13 7D 0 0.03739 -0.08563 -0.02208 -0.04947 -0.04766 14 7D+1 0.04175 0.03132 -0.05861 0.02560 -0.04487 15 7D-1 0.04810 -0.04010 -0.06137 0.00239 -0.01869 16 7D+2 0.05204 0.06148 -0.01220 0.02926 -0.04536 17 7D-2 0.02399 0.03390 -0.04552 -0.01550 -0.00424 18 8D 0 -0.11958 0.26009 0.07044 0.17666 0.17035 19 8D+1 -0.13798 -0.09376 0.19971 -0.09030 0.16154 20 8D-1 -0.16204 0.13000 0.20262 -0.00492 0.08069 21 8D+2 -0.16413 -0.18987 0.03111 -0.10582 0.16499 22 8D-2 -0.08358 -0.11430 0.15361 0.04869 0.02349 23 2 Cu 1S 0.28144 -0.88208 -0.50437 -0.55133 -0.72665 24 2S 0.64610 -1.85554 -1.05930 -1.06148 -1.34896 25 3S -0.34815 1.36110 0.63039 1.05905 1.10537 26 4PX 0.00428 -0.01562 -0.01202 -0.00297 0.02162 27 4PY 0.01048 -0.01581 -0.01078 0.02540 0.02631 28 4PZ -0.01433 0.01271 0.00573 0.00771 -0.00066 29 5PX 0.08294 0.48705 0.43242 0.43489 -0.14308 30 5PY -0.32714 0.83660 0.21008 -0.21464 -0.35561 31 5PZ 0.22320 -0.40846 -0.50125 -0.41663 -0.27949 32 6PX -0.09594 -0.43645 -0.37581 -1.32928 -0.03682 33 6PY -0.02083 -0.52333 -0.13888 1.22289 -0.07185 34 6PZ -0.12267 0.10501 0.10072 0.22542 0.81914 35 7D 0 -0.03271 -0.02665 0.01995 0.02907 0.06463 36 7D+1 -0.00144 -0.06174 0.01445 -0.02013 0.00905 37 7D-1 -0.01964 0.04063 0.01667 -0.00289 -0.01750 38 7D+2 0.07534 -0.02882 0.02533 0.06371 -0.02035 39 7D-2 0.00322 0.02693 0.08543 0.01092 -0.01735 40 8D 0 0.10307 0.08824 -0.07633 -0.10261 -0.23121 41 8D+1 0.01562 0.20301 -0.05821 0.07660 -0.03064 42 8D-1 0.09023 -0.15594 -0.06577 0.00514 0.03897 43 8D+2 -0.25130 0.11534 -0.07994 -0.22423 0.07051 44 8D-2 -0.01370 -0.08425 -0.29432 -0.04648 0.05366 45 3 Cu 1S 0.30477 0.88774 -0.48698 0.63649 -0.65078 46 2S 0.69403 1.86444 -1.02341 1.21849 -1.20013 47 3S -0.41642 -1.38895 0.59193 -1.23644 1.04039 48 4PX -0.01285 -0.01340 0.00649 -0.01212 -0.00426 49 4PY 0.01330 0.01977 -0.01380 -0.02624 0.02798 50 4PZ -0.00237 0.00767 -0.00767 0.00174 0.01637 51 5PX 0.11452 0.36872 -0.53908 0.56859 -0.19907 52 5PY -0.34894 -0.95399 0.35985 0.10259 -0.35080 53 5PZ 0.19584 -0.20453 0.20419 -0.28435 -0.21567 54 6PX -0.09445 -0.14082 0.15395 -0.94503 0.64919 55 6PY -0.00773 0.61698 -0.23343 -0.83946 -0.30301 56 6PZ -0.11098 0.30136 -0.29821 1.29834 0.41645 57 7D 0 0.06509 0.05428 0.00112 -0.02128 -0.02593 58 7D+1 -0.03554 0.04932 0.03434 0.00851 0.04685 59 7D-1 0.02207 -0.03708 0.08677 -0.02464 -0.03732 60 7D+2 0.00600 0.00990 0.00399 -0.05577 0.02765 61 7D-2 -0.03238 -0.02643 -0.01604 0.03412 -0.01360 62 8D 0 -0.21056 -0.19338 -0.00062 0.06921 0.09488 63 8D+1 0.12131 -0.15967 -0.13008 -0.03287 -0.16660 64 8D-1 -0.06722 0.12046 -0.29867 0.09828 0.11788 65 8D+2 -0.01885 -0.03484 -0.01596 0.19818 -0.10562 66 8D-2 0.13492 0.11224 0.04655 -0.11686 0.03243 67 4 Cu 1S -0.15601 0.00221 0.08148 -0.03526 0.62720 68 2S -0.30225 0.00578 0.21613 -0.06691 1.17383 69 3S 2.44360 -0.00596 0.70479 0.09796 -2.06055 70 4PX 0.02235 0.01542 0.01685 -0.03758 0.02641 71 4PY -0.02341 -0.00236 0.01581 0.00765 -0.04371 72 4PZ 0.03584 -0.01176 0.02049 0.02250 0.05193 73 5PX -0.45477 -0.49198 -0.51406 0.58499 0.19641 74 5PY 0.34245 0.08953 -0.51566 -0.03039 -0.60951 75 5PZ -0.68762 0.34873 -0.61180 -0.46425 0.34013 76 6PX -0.04346 -0.24363 -0.19188 0.23385 -0.11976 77 6PY 0.63682 0.02766 -0.33597 -0.08445 0.72546 78 6PZ -0.22659 0.17548 -0.19134 -0.13849 -0.37978 79 7D 0 -0.02194 0.02842 -0.01123 -0.04624 -0.00661 80 7D+1 0.02272 -0.00753 0.02895 0.01583 0.01655 81 7D-1 -0.09971 0.03588 0.02497 -0.01899 -0.00582 82 7D+2 -0.08929 -0.02751 -0.03023 0.03410 -0.01747 83 7D-2 -0.04077 -0.03943 0.02920 0.01483 0.00455 84 8D 0 0.07063 -0.09819 0.02902 0.16032 0.02609 85 8D+1 -0.09105 0.02414 -0.12575 -0.05590 -0.04606 86 8D-1 0.35938 -0.13927 -0.10145 0.06914 -0.02725 87 8D+2 0.31254 0.10175 0.10102 -0.11674 0.04311 88 8D-2 0.14888 0.15743 -0.11302 -0.04902 -0.04191 89 5 Cu 1S -0.50465 0.50019 -0.35508 -1.03015 -0.42755 90 2S -1.07012 1.07099 -0.75408 -1.93631 -0.74725 91 3S -0.46773 -0.08770 -0.27814 3.37135 0.15263 92 4PX -0.01408 0.01315 -0.01789 0.02232 0.01130 93 4PY 0.01142 -0.02250 0.01137 -0.01694 -0.01803 94 4PZ 0.01095 -0.01050 0.00659 -0.02172 -0.00977 95 5PX 0.61755 -0.43182 0.71702 0.07588 0.08854 96 5PY -0.66976 0.92738 -0.32101 -0.21277 -0.00726 97 5PZ -0.55754 0.54383 -0.44456 -0.01531 0.00760 98 6PX -0.12729 0.18829 -0.04666 0.07536 -0.01777 99 6PY 0.00417 -0.38195 0.29076 0.60550 -0.21367 100 6PZ 0.03324 -0.15538 0.12278 -0.43560 -0.04411 101 7D 0 -0.04442 0.03754 -0.02257 0.00555 0.04488 102 7D+1 -0.04309 0.02382 -0.05313 0.01129 -0.02460 103 7D-1 0.05253 -0.07358 0.00909 0.00900 0.01023 104 7D+2 -0.00557 0.07519 0.08189 0.01718 0.00738 105 7D-2 -0.06019 0.05357 -0.06948 -0.01809 0.02608 106 8D 0 0.13938 -0.11803 0.06859 -0.00817 -0.14858 107 8D+1 0.14507 -0.07990 0.18167 -0.02916 0.08378 108 8D-1 -0.18299 0.24369 -0.02868 -0.04102 -0.03190 109 8D+2 0.02220 -0.24549 -0.25257 -0.05499 -0.02023 110 8D-2 0.19707 -0.18318 0.22516 0.08432 -0.07906 111 6 Cu 1S 0.26612 -0.00957 1.06959 0.05181 -0.95077 112 2S 0.58925 -0.02201 2.23585 0.09258 -1.72673 113 3S -0.22315 -0.01442 -1.47728 -0.18352 2.93982 114 4PX -0.00872 -0.00305 -0.01749 -0.03441 -0.03098 115 4PY 0.00505 0.00076 -0.00888 0.00614 -0.00661 116 4PZ -0.01300 0.00323 -0.02293 0.02799 -0.03840 117 5PX 0.10114 -0.16475 0.70513 0.58907 0.27322 118 5PY -0.40547 0.02060 0.29486 -0.08949 -0.17227 119 5PZ 0.23016 0.08602 0.95661 -0.46327 0.35995 120 6PX 0.02770 -0.14017 -0.37994 -1.47541 0.33473 121 6PY 0.12723 0.02822 -0.50954 0.20589 0.47394 122 6PZ 0.03320 0.09752 -0.44825 0.98423 0.55363 123 7D 0 -0.01259 -0.00681 -0.00461 0.09028 0.00604 124 7D+1 0.05005 0.01079 0.02318 -0.03869 0.00418 125 7D-1 0.04190 0.05504 -0.06869 0.00438 -0.01988 126 7D+2 -0.04209 -0.01900 -0.04290 -0.04807 -0.01087 127 7D-2 0.04664 -0.07675 -0.03314 0.02093 -0.01057 128 8D 0 0.03315 0.02754 0.01350 -0.31477 -0.01821 129 8D+1 -0.19352 -0.03873 -0.10048 0.13409 -0.00653 130 8D-1 -0.13427 -0.19105 0.23343 -0.01471 0.05334 131 8D+2 0.14472 0.06394 0.15573 0.16790 0.03244 132 8D-2 -0.15610 0.26786 0.10674 -0.07216 0.02859 133 7 Cu 1S -0.52144 -0.47937 -0.35887 1.07366 -0.31262 134 2S -1.10720 -1.02774 -0.76293 2.01215 -0.53357 135 3S -0.45064 0.11091 -0.29032 -3.31393 -0.26139 136 4PX 0.01757 0.01775 0.01434 0.03185 -0.01211 137 4PY 0.00725 0.01768 0.00713 0.01026 -0.01257 138 4PZ -0.01109 -0.01150 -0.01614 -0.01648 0.00765 139 5PX -0.87594 -0.79368 -0.71581 0.09543 -0.02861 140 5PY -0.46496 -0.72007 -0.11470 0.18555 0.01356 141 5PZ 0.47955 0.32201 0.56551 -0.10673 0.08607 142 6PX 0.08967 0.27610 0.19195 0.31541 -0.04282 143 6PY -0.01983 0.30751 0.25215 -0.63505 -0.28310 144 6PZ -0.10204 -0.17561 -0.05024 0.16042 0.01918 145 7D 0 -0.00720 -0.05020 0.05148 -0.01674 -0.03200 146 7D+1 -0.07316 -0.03294 -0.09133 -0.00334 0.00871 147 7D-1 -0.03083 -0.03941 -0.02621 0.00452 0.02647 148 7D+2 0.00924 -0.02078 0.05734 -0.02206 0.03706 149 7D-2 0.06596 0.09894 0.00026 -0.00743 -0.01520 150 8D 0 0.03151 0.16429 -0.15133 0.05715 0.10866 151 8D+1 0.23884 0.10842 0.29713 -0.00652 -0.02815 152 8D-1 0.09823 0.13457 0.08935 -0.03264 -0.08119 153 8D+2 -0.03831 0.06043 -0.18575 0.07709 -0.12200 154 8D-2 -0.22399 -0.32597 -0.00003 0.04126 0.05069 155 8 C 1S 0.00706 -0.00012 -0.00302 -0.00068 0.00871 156 2S 0.22632 -0.00403 0.04643 -0.02842 0.30091 157 3S 1.54067 -0.02554 -0.60230 0.03465 0.28347 158 4PX -0.02791 -0.01346 -0.01869 0.05880 -0.01945 159 4PY -0.09716 0.00408 0.04512 -0.00763 -0.07373 160 4PZ -0.01276 0.01065 -0.03904 -0.03870 -0.01569 161 5PX 0.02350 0.20355 0.13043 -0.50392 0.48030 162 5PY -0.56745 -0.01739 0.39318 0.14764 -1.25733 163 5PZ 0.17100 -0.15450 0.09090 0.26936 1.03956 164 9 O 1S -0.05606 0.00099 0.01279 0.00086 -0.01967 165 2S 1.30286 -0.02559 -0.35631 -0.03676 0.82045 166 3S -2.41932 0.05061 0.76017 0.08417 -1.93487 167 4PX -0.01337 0.02740 0.01247 -0.06627 0.04794 168 4PY 0.04230 -0.00512 0.00803 0.01069 0.00029 169 4PZ -0.02967 -0.01961 0.01572 0.04152 0.07400 170 5PX 0.14024 -0.10711 -0.08474 0.24759 -0.11668 171 5PY -0.67382 0.02984 0.14293 -0.02294 -0.41066 172 5PZ 0.36624 0.06946 -0.15573 -0.16260 -0.08655 171 172 V V EIGENVALUES -- 2.36560 10.22375 1 1 Cu 1S -1.14103 -0.42824 2 2S -2.11938 -0.65378 3 3S 3.31418 -2.76628 4 4PX 0.02095 0.01023 5 4PY 0.02968 0.01250 6 4PZ 0.02341 0.01191 7 5PX 0.14667 0.32703 8 5PY 0.15455 0.86360 9 5PZ 0.17996 0.28440 10 6PX -0.23920 0.31890 11 6PY 0.47999 0.48897 12 6PZ -0.45465 0.33317 13 7D 0 -0.01477 0.00127 14 7D+1 0.00036 -0.00228 15 7D-1 0.00346 0.01749 16 7D+2 -0.02357 0.00917 17 7D-2 0.00954 0.00929 18 8D 0 0.04340 0.00282 19 8D+1 -0.02265 -0.00210 20 8D-1 -0.02785 -0.11223 21 8D+2 0.07896 -0.02893 22 8D-2 -0.04584 -0.07079 23 2 Cu 1S -0.56373 -1.08300 24 2S -1.08407 -1.71179 25 3S 0.39162 0.46916 26 4PX 0.00125 0.02229 27 4PY -0.02056 0.04797 28 4PZ -0.03400 -0.05347 29 5PX 0.30710 0.18910 30 5PY 0.87471 0.66760 31 5PZ 0.32134 -0.72060 32 6PX -0.70012 -0.02941 33 6PY -1.00490 0.01510 34 6PZ -1.39879 0.67117 35 7D 0 -0.07737 0.00182 36 7D+1 0.00757 0.00180 37 7D-1 -0.02326 -0.01674 38 7D+2 -0.04046 -0.00147 39 7D-2 0.02110 -0.00210 40 8D 0 0.27750 -0.02442 41 8D+1 -0.02264 0.02601 42 8D-1 0.08219 0.14266 43 8D+2 0.14715 0.02001 44 8D-2 -0.08576 -0.01995 45 3 Cu 1S -0.56021 -1.07243 46 2S -1.07734 -1.69668 47 3S 0.41353 0.42532 48 4PX -0.03587 -0.04659 49 4PY -0.01467 0.05781 50 4PZ -0.00786 -0.00491 51 5PX 0.36708 -0.59690 52 5PY 0.84836 0.78721 53 5PZ 0.27921 -0.16438 54 6PX -1.26227 0.63401 55 6PY -0.91150 -0.06327 56 6PZ -0.98856 0.19094 57 7D 0 -0.00289 0.00074 58 7D+1 -0.02071 0.00317 59 7D-1 0.00364 -0.00839 60 7D+2 -0.08997 -0.00473 61 7D-2 0.00367 -0.01410 62 8D 0 0.01648 0.03165 63 8D+1 0.07488 -0.01231 64 8D-1 -0.02220 0.04000 65 8D+2 0.32437 0.03576 66 8D-2 -0.01074 0.13794 67 4 Cu 1S 0.25409 -3.36927 68 2S 0.44810 -5.41618 69 3S -1.15435 12.36544 70 4PX -0.01189 0.03866 71 4PY -0.06383 -0.05238 72 4PZ -0.00235 0.06596 73 5PX 0.28018 -2.61814 74 5PY 1.32591 5.50781 75 5PZ 0.09523 -4.97526 76 6PX 0.35676 -0.70678 77 6PY 0.86143 -1.54805 78 6PZ 0.32632 -0.58565 79 7D 0 0.00869 0.00340 80 7D+1 -0.02202 0.02556 81 7D-1 -0.00528 -0.06815 82 7D+2 0.02822 -0.03354 83 7D-2 -0.01439 -0.03490 84 8D 0 -0.03138 -0.02867 85 8D+1 0.07277 -0.20064 86 8D-1 0.02696 0.50432 87 8D+2 -0.09462 0.25055 88 8D-2 0.05457 0.25661 89 5 Cu 1S 0.59462 -0.28216 90 2S 1.14678 -0.44121 91 3S -1.07806 -3.31950 92 4PX 0.00200 0.00642 93 4PY 0.00869 -0.01485 94 4PZ 0.00511 0.00806 95 5PX -0.23359 0.31671 96 5PY 0.28941 -0.28465 97 5PZ 0.25920 -0.78921 98 6PX 0.31651 0.27111 99 6PY -0.08061 0.30055 100 6PZ 0.49318 -1.03250 101 7D 0 0.01047 -0.00822 102 7D+1 0.02081 -0.00841 103 7D-1 0.00801 0.01378 104 7D+2 0.03947 0.00213 105 7D-2 -0.00583 -0.00133 106 8D 0 -0.04166 0.04162 107 8D+1 -0.07477 0.05986 108 8D-1 -0.02169 -0.09853 109 8D+2 -0.15132 -0.00837 110 8D-2 0.00933 0.02002 111 6 Cu 1S 0.41781 -0.85271 112 2S 0.81105 -1.36871 113 3S -0.77313 0.15582 114 4PX 0.00050 -0.03449 115 4PY -0.00983 0.00278 116 4PZ 0.00292 -0.04946 117 5PX 0.24985 -0.51848 118 5PY 0.65311 0.02806 119 5PZ 0.22027 -0.74428 120 6PX 0.05441 0.17299 121 6PY -1.53865 0.09365 122 6PZ 0.41957 0.20010 123 7D 0 0.01760 0.01149 124 7D+1 -0.01554 0.02092 125 7D-1 -0.04645 -0.00402 126 7D+2 0.02507 0.00378 127 7D-2 -0.04264 -0.00167 128 8D 0 -0.06424 -0.08798 129 8D+1 0.05400 -0.16172 130 8D-1 0.17948 0.01476 131 8D+2 -0.08697 -0.03316 132 8D-2 0.16100 0.00258 133 7 Cu 1S 0.60001 -0.27752 134 2S 1.15537 -0.43485 135 3S -1.12135 -3.30477 136 4PX 0.00664 0.00293 137 4PY 0.00805 -0.01435 138 4PZ 0.00249 0.01113 139 5PX 0.36382 -0.87501 140 5PY 0.18567 -0.09566 141 5PZ -0.16408 0.05725 142 6PX 0.33114 -0.98518 143 6PY -0.08096 0.49763 144 6PZ 0.48294 -0.17255 145 7D 0 0.03684 -0.00135 146 7D+1 0.00913 -0.01248 147 7D-1 0.00800 0.00550 148 7D+2 0.02456 0.00172 149 7D-2 0.00132 0.01142 150 8D 0 -0.13614 0.01737 151 8D+1 -0.03525 0.08069 152 8D-1 -0.03929 -0.02689 153 8D+2 -0.08982 -0.02438 154 8D-2 0.00723 -0.08306 155 8 C 1S -0.00116 -0.05004 156 2S -0.17321 -0.94005 157 3S 1.64232 4.22850 158 4PX 0.03995 -0.05949 159 4PY -0.07232 0.08461 160 4PZ 0.07754 -0.10315 161 5PX -0.20172 -1.35820 162 5PY -0.96542 3.40835 163 5PZ -0.06140 -2.71913 164 9 O 1S -0.01671 -0.01028 165 2S 0.69919 -0.48035 166 3S -1.71326 1.70965 167 4PX -0.01785 -0.09235 168 4PY -0.04810 0.11186 169 4PZ -0.01681 -0.15544 170 5PX 0.14825 0.42947 171 5PY -0.22670 -0.18162 172 5PZ 0.27764 0.63413 ALPHA DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.00577 2 2S 0.00951 0.20451 3 3S 0.00538 0.11585 0.19254 4 4PX 0.00173 0.01101 -0.01789 0.99605 5 4PY 0.00197 0.01274 -0.02662 0.00007 0.99565 6 4PZ 0.00206 0.01303 -0.01956 0.00042 0.00012 7 5PX -0.00084 -0.00965 -0.02576 0.01876 0.00322 8 5PY -0.00179 -0.01725 -0.03665 0.00245 0.02188 9 5PZ -0.00080 -0.01016 -0.02894 0.00053 0.00374 10 6PX -0.00063 0.00480 -0.00815 -0.00634 0.00413 11 6PY 0.00029 0.00198 -0.00467 0.00233 -0.00419 12 6PZ -0.00099 0.00650 -0.01072 0.00361 0.00475 13 7D 0 0.00011 0.00029 -0.00308 -0.00132 -0.00031 14 7D+1 0.00014 -0.00465 -0.03791 -0.00009 0.00033 15 7D-1 -0.00099 -0.01261 -0.07787 0.00014 -0.00035 16 7D+2 -0.00020 -0.00011 -0.00318 0.00062 -0.00126 17 7D-2 -0.00064 -0.00952 -0.05946 -0.00086 0.00028 18 8D 0 -0.00005 0.00082 -0.00106 -0.00025 0.00022 19 8D+1 0.00005 0.00069 -0.01138 -0.00019 0.00008 20 8D-1 -0.00034 -0.00168 -0.02453 0.00010 -0.00070 21 8D+2 -0.00020 0.00040 -0.00151 0.00020 0.00001 22 8D-2 -0.00018 -0.00127 -0.01853 -0.00089 -0.00037 23 2 Cu 1S -0.00119 -0.00392 -0.00246 0.00071 0.00068 24 2S -0.00437 0.06226 0.01193 0.00440 0.00452 25 3S -0.00311 -0.04110 -0.07959 -0.00655 0.01354 26 4PX -0.00012 -0.00510 -0.00728 0.00045 -0.00031 27 4PY -0.00026 -0.00547 0.00125 -0.00079 0.00049 28 4PZ -0.00222 -0.02563 -0.01613 -0.00066 -0.00066 29 5PX 0.00098 0.02156 0.02120 -0.00230 0.00231 30 5PY 0.00028 0.01861 0.00221 0.00428 -0.00441 31 5PZ -0.00069 0.04796 0.00766 0.00225 0.00576 32 6PX -0.00094 0.00399 -0.00668 0.00632 0.00084 33 6PY -0.00097 0.00352 -0.00713 -0.00033 0.00132 34 6PZ -0.00116 -0.01195 -0.02150 -0.00150 -0.00058 35 7D 0 -0.00055 0.00655 0.09195 0.00195 0.00832 36 7D+1 0.00203 0.02334 0.04701 -0.00858 0.00136 37 7D-1 0.00224 0.02849 0.09944 0.00125 -0.00577 38 7D+2 -0.00037 0.00046 -0.01165 -0.00274 0.00319 39 7D-2 0.00062 0.01120 0.03730 -0.00351 -0.00052 40 8D 0 0.00017 0.00184 0.03096 0.00095 0.00227 41 8D+1 0.00075 0.00741 0.01577 -0.00308 0.00040 42 8D-1 0.00093 0.01000 0.03439 0.00043 -0.00257 43 8D+2 -0.00008 -0.00039 -0.00432 -0.00092 0.00087 44 8D-2 0.00018 0.00463 0.01242 -0.00128 -0.00026 45 3 Cu 1S -0.00119 -0.00393 -0.00249 0.00085 0.00064 46 2S -0.00438 0.06150 0.01125 0.01080 0.00347 47 3S -0.00313 -0.04136 -0.07980 0.02552 0.00851 48 4PX -0.00206 -0.02321 -0.01251 0.00101 -0.00071 49 4PY 0.00004 -0.00271 0.00199 0.00092 0.00028 50 4PZ -0.00085 -0.01292 -0.01263 0.00097 -0.00069 51 5PX -0.00091 0.04117 0.00083 0.00059 0.00418 52 5PY 0.00055 0.01556 0.00536 -0.00222 -0.00374 53 5PZ 0.00063 0.03409 0.02200 0.00032 0.00444 54 6PX -0.00093 -0.01128 -0.01866 0.00818 -0.00227 55 6PY -0.00093 0.00586 -0.00503 -0.00085 0.00186 56 6PZ -0.00113 -0.00097 -0.01257 -0.00151 0.00148 57 7D 0 0.00071 0.00644 -0.02800 -0.00234 0.00040 58 7D+1 0.00133 0.02186 0.09276 0.01188 0.00239 59 7D-1 0.00115 0.01819 0.05379 0.00238 -0.00311 60 7D+2 -0.00056 0.00492 0.07059 0.01014 0.00447 61 7D-2 0.00247 0.02553 0.06977 0.00339 -0.00770 62 8D 0 0.00019 0.00143 -0.00979 0.00036 -0.00001 63 8D+1 0.00067 0.00713 0.03120 0.00169 0.00090 64 8D-1 0.00040 0.00691 0.01819 0.00073 -0.00137 65 8D+2 0.00013 0.00114 0.02390 0.00013 0.00141 66 8D-2 0.00092 0.00886 0.02442 0.00073 -0.00291 67 4 Cu 1S -0.00114 -0.00129 -0.00460 0.00015 0.00011 68 2S -0.00195 0.07098 0.05391 0.00192 0.00853 69 3S -0.00454 -0.02042 -0.07272 0.00893 0.03859 70 4PX -0.00042 -0.00546 -0.00521 0.00075 0.00050 71 4PY -0.00190 -0.02602 -0.01248 -0.00094 0.00066 72 4PZ -0.00020 -0.00222 -0.00502 -0.00042 0.00082 73 5PX -0.00069 0.01163 -0.00348 -0.00326 0.00083 74 5PY -0.00121 0.06087 -0.01323 0.00527 -0.00148 75 5PZ -0.00072 0.00389 -0.00176 0.00317 0.00032 76 6PX 0.00038 -0.00133 -0.00357 -0.00196 -0.00086 77 6PY 0.00053 -0.00235 -0.00937 -0.00093 0.00776 78 6PZ 0.00041 -0.00177 -0.00348 0.00206 -0.00343 79 7D 0 0.00058 0.00436 -0.00880 -0.00059 -0.00410 80 7D+1 0.00082 0.01945 0.04800 -0.00175 0.00299 81 7D-1 0.00111 0.00269 0.04430 0.00264 0.00543 82 7D+2 0.00078 -0.00474 -0.03303 -0.00650 -0.00595 83 7D-2 0.00064 0.00525 0.04706 -0.00338 0.00710 84 8D 0 0.00018 0.00150 -0.00323 0.00013 -0.00002 85 8D+1 0.00023 0.00651 0.01610 -0.00066 0.00083 86 8D-1 0.00052 0.00096 0.01477 0.00059 0.00079 87 8D+2 0.00031 -0.00156 -0.01158 -0.00194 0.00009 88 8D-2 0.00030 0.00184 0.01594 -0.00144 0.00100 89 5 Cu 1S 0.00052 0.00028 0.00108 0.00002 -0.00095 90 2S 0.00035 -0.01864 0.01817 -0.00593 0.00219 91 3S 0.00132 0.02509 0.02774 0.00352 -0.01300 92 4PX -0.00005 -0.00613 0.00356 0.00004 -0.00011 93 4PY 0.00089 -0.00014 0.00656 -0.00022 0.00008 94 4PZ 0.00077 -0.00378 0.00963 0.00017 -0.00048 95 5PX 0.00019 0.01619 0.00430 -0.00098 0.00154 96 5PY -0.00005 0.00158 -0.00261 0.00247 -0.00338 97 5PZ 0.00061 0.01728 0.01024 0.00014 -0.00316 98 6PX 0.00032 -0.00388 0.00363 -0.00167 0.00052 99 6PY 0.00027 0.00662 0.00784 0.00044 -0.00412 100 6PZ 0.00071 0.00678 0.01007 0.00231 -0.00146 101 7D 0 -0.00056 -0.00799 -0.02628 0.00041 -0.00065 102 7D+1 -0.00046 0.00415 -0.06252 0.00006 0.00087 103 7D-1 -0.00302 -0.01916 -0.09861 -0.00040 0.00142 104 7D+2 0.00069 0.01819 -0.00461 0.00037 -0.00150 105 7D-2 -0.00054 -0.00400 -0.01353 -0.00039 -0.00052 106 8D 0 -0.00018 -0.00215 -0.00899 0.00014 -0.00069 107 8D+1 -0.00013 0.00163 -0.02105 0.00002 0.00033 108 8D-1 -0.00093 -0.00734 -0.03369 -0.00029 0.00032 109 8D+2 0.00015 0.00661 -0.00136 0.00001 -0.00041 110 8D-2 -0.00018 -0.00058 -0.00479 0.00008 -0.00022 111 6 Cu 1S 0.00035 -0.00231 -0.00240 -0.00069 -0.00098 112 2S -0.00228 -0.08202 -0.02820 0.00147 -0.00330 113 3S -0.00009 -0.03738 0.00473 -0.00490 -0.00368 114 4PX 0.00031 -0.00329 0.00109 0.00076 -0.00055 115 4PY 0.00061 -0.00081 0.01305 -0.00092 0.00050 116 4PZ 0.00031 -0.00448 -0.00123 -0.00075 -0.00057 117 5PX 0.00013 0.00622 0.00978 -0.00311 0.00008 118 5PY -0.00057 -0.00231 -0.00837 0.00140 -0.00289 119 5PZ 0.00030 0.00928 0.01575 -0.00032 0.00007 120 6PX 0.00061 0.01002 0.01288 -0.00104 -0.00014 121 6PY -0.00097 0.00281 -0.00342 0.00110 -0.00027 122 6PZ 0.00111 0.01399 0.01966 -0.00234 -0.00006 123 7D 0 -0.00057 -0.00598 -0.01244 -0.00092 0.00017 124 7D+1 -0.00245 -0.01839 -0.02555 0.00164 0.00016 125 7D-1 -0.00198 -0.01348 -0.03427 -0.00015 0.00165 126 7D+2 0.00008 -0.00182 -0.01404 0.00056 0.00019 127 7D-2 -0.00172 -0.01124 -0.02314 0.00042 0.00105 128 8D 0 -0.00022 -0.00261 -0.00418 -0.00056 -0.00006 129 8D+1 -0.00084 -0.00760 -0.00973 0.00046 -0.00015 130 8D-1 -0.00062 -0.00646 -0.01292 -0.00025 0.00046 131 8D+2 0.00000 -0.00124 -0.00438 0.00038 -0.00011 132 8D-2 -0.00054 -0.00511 -0.00901 0.00008 0.00029 133 7 Cu 1S 0.00053 0.00028 0.00107 -0.00100 -0.00082 134 2S 0.00035 -0.01845 0.01795 0.00280 0.00084 135 3S 0.00133 0.02501 0.02743 -0.00740 -0.01142 136 4PX 0.00092 -0.00161 0.00911 -0.00016 -0.00036 137 4PY 0.00074 -0.00080 0.00584 -0.00082 0.00022 138 4PZ 0.00010 -0.00701 0.00552 0.00030 -0.00031 139 5PX 0.00050 0.01118 0.00757 -0.00253 -0.00359 140 5PY -0.00011 0.00215 -0.00340 -0.00086 -0.00207 141 5PZ 0.00041 0.02086 0.00806 -0.00115 0.00081 142 6PX 0.00060 0.00874 0.00966 -0.00430 -0.00128 143 6PY 0.00024 0.00484 0.00717 0.00042 -0.00376 144 6PZ 0.00053 -0.00194 0.00608 -0.00110 0.00055 145 7D 0 0.00082 0.02061 -0.01745 -0.00163 -0.00010 146 7D+1 -0.00078 -0.00593 -0.05760 0.00036 0.00045 147 7D-1 -0.00125 -0.00402 -0.04204 0.00175 -0.00075 148 7D+2 -0.00078 -0.00345 -0.03281 0.00121 -0.00096 149 7D-2 -0.00265 -0.01751 -0.08958 0.00054 0.00196 150 8D 0 0.00022 0.00716 -0.00559 -0.00029 0.00017 151 8D+1 -0.00022 -0.00142 -0.01954 0.00002 -0.00009 152 8D-1 -0.00041 -0.00091 -0.01446 0.00034 -0.00023 153 8D+2 -0.00027 -0.00108 -0.01116 0.00043 -0.00071 154 8D-2 -0.00079 -0.00705 -0.03055 -0.00024 0.00067 155 8 C 1S -0.00038 0.00696 -0.01136 0.00009 0.00033 156 2S 0.00108 -0.01754 0.01773 0.00001 0.00077 157 3S 0.00252 -0.02415 0.00158 -0.00103 -0.01174 158 4PX -0.00029 0.00308 -0.01684 0.00005 -0.00112 159 4PY -0.00105 -0.01716 -0.01980 0.00046 -0.00107 160 4PZ -0.00012 0.01019 -0.01822 0.00198 -0.00156 161 5PX -0.00042 -0.00138 -0.00558 0.00016 -0.00030 162 5PY 0.00041 -0.00289 0.00012 0.00012 0.00062 163 5PZ -0.00067 -0.00066 -0.00745 0.00019 -0.00046 164 9 O 1S -0.00045 -0.00248 0.00100 -0.00001 -0.00002 165 2S 0.00090 0.00673 -0.00254 0.00002 -0.00071 166 3S -0.00039 0.00618 -0.00815 0.00014 0.00371 167 4PX 0.00011 -0.00381 -0.00843 0.00018 0.00140 168 4PY 0.00182 0.01125 0.02069 -0.00047 0.00073 169 4PZ -0.00032 -0.00965 -0.01816 -0.00161 0.00205 170 5PX 0.00032 -0.00207 -0.00072 0.00001 0.00060 171 5PY 0.00010 0.00298 0.00589 -0.00001 0.00123 172 5PZ 0.00042 -0.00455 -0.00312 -0.00092 0.00057 6 7 8 9 10 6 4PZ 0.99632 7 5PX 0.00033 0.01666 8 5PY 0.00262 0.00295 0.01629 9 5PZ 0.01791 0.00694 0.00317 0.02046 10 6PX 0.00323 0.00177 0.00167 0.00062 0.00628 11 6PY 0.00220 0.00184 -0.00205 0.00325 -0.00001 12 6PZ -0.00507 0.00060 0.00308 0.00131 0.00207 13 7D 0 0.00071 -0.01753 -0.01723 0.03363 -0.00285 14 7D+1 -0.00138 0.02646 -0.00006 0.01760 0.01611 15 7D-1 -0.00028 0.00345 0.02362 0.02567 0.00535 16 7D+2 0.00009 0.02482 -0.03180 0.00234 0.01256 17 7D-2 0.00015 0.02099 0.02340 0.00333 0.02855 18 8D 0 0.00022 -0.00587 -0.00554 0.01099 -0.00086 19 8D+1 -0.00066 0.00842 -0.00017 0.00534 0.00562 20 8D-1 -0.00050 0.00102 0.00738 0.00821 0.00197 21 8D+2 0.00031 0.00821 -0.01029 0.00082 0.00423 22 8D-2 0.00008 0.00660 0.00737 0.00098 0.00968 23 2 Cu 1S 0.00101 -0.00038 0.00045 0.00057 0.00060 24 2S 0.01217 -0.00433 -0.00191 -0.02535 0.00421 25 3S 0.02229 0.00101 0.00712 0.00734 0.00648 26 4PX 0.00104 -0.00248 0.00190 -0.00364 0.00676 27 4PY 0.00066 0.00301 -0.00323 -0.00099 0.00020 28 4PZ 0.00114 -0.00169 0.00100 0.00140 0.00547 29 5PX -0.00166 0.00479 -0.00404 0.00845 -0.00199 30 5PY 0.00016 -0.00541 0.00404 0.00011 0.00113 31 5PZ 0.00054 0.00068 -0.00184 0.01186 -0.00003 32 6PX -0.00255 0.00324 0.00267 -0.00022 -0.00156 33 6PY 0.00079 -0.00154 0.00607 -0.00051 0.00099 34 6PZ 0.00738 0.00299 0.00721 0.00771 -0.00104 35 7D 0 0.01381 -0.01470 -0.03075 -0.05609 0.00494 36 7D+1 0.00267 0.02204 -0.00804 -0.01293 -0.00749 37 7D-1 0.00882 -0.00634 0.00134 -0.04002 -0.01252 38 7D+2 -0.00177 0.01730 -0.01737 0.01188 -0.00562 39 7D-2 0.00087 0.00832 0.00994 -0.00767 -0.01293 40 8D 0 0.00058 -0.00497 -0.01034 -0.01869 0.00151 41 8D+1 0.00052 0.00705 -0.00264 -0.00403 -0.00285 42 8D-1 0.00158 -0.00215 0.00004 -0.01338 -0.00415 43 8D+2 -0.00060 0.00580 -0.00579 0.00398 -0.00180 44 8D-2 0.00039 0.00269 0.00339 -0.00274 -0.00408 45 3 Cu 1S 0.00092 0.00075 0.00028 -0.00021 0.00021 46 2S 0.00774 -0.02267 0.00104 -0.01272 0.00357 47 3S -0.00009 0.00781 0.00616 0.00244 0.01476 48 4PX -0.00049 0.00213 -0.00064 0.00069 -0.00448 49 4PY -0.00037 -0.00318 -0.00202 0.00220 -0.00414 50 4PZ 0.00079 -0.00097 0.00222 -0.00435 -0.00398 51 5PX 0.00323 0.00851 -0.00120 0.00111 0.00543 52 5PY 0.00366 0.00212 0.00238 -0.00448 0.00027 53 5PZ -0.00292 0.00845 -0.00542 0.00983 0.00063 54 6PX -0.00046 0.00753 0.00594 0.00293 0.00186 55 6PY 0.00055 -0.00008 0.00515 -0.00247 0.00067 56 6PZ 0.00490 0.00178 0.00450 0.00423 0.00174 57 7D 0 -0.00814 0.01150 -0.00723 0.03593 0.00468 58 7D+1 -0.00229 -0.04575 -0.00854 -0.00762 -0.00798 59 7D-1 -0.00188 -0.01267 0.01014 0.00467 0.00035 60 7D+2 0.00652 -0.04148 -0.02616 -0.02208 -0.00676 61 7D-2 0.00318 -0.02129 0.01068 -0.01383 -0.00400 62 8D 0 -0.00251 0.00407 -0.00239 0.01194 0.00154 63 8D+1 -0.00160 -0.01499 -0.00291 -0.00275 -0.00267 64 8D-1 -0.00069 -0.00439 0.00333 0.00145 -0.00003 65 8D+2 0.00140 -0.01391 -0.00892 -0.00728 -0.00212 66 8D-2 0.00092 -0.00708 0.00320 -0.00460 -0.00150 67 4 Cu 1S 0.00020 0.00106 0.00216 0.00105 0.00051 68 2S 0.00093 0.00363 -0.02117 0.00962 -0.00470 69 3S 0.00437 0.01144 0.02114 0.01183 0.00645 70 4PX -0.00073 -0.00249 0.00123 0.00258 0.00275 71 4PY -0.00123 0.00166 0.00407 0.00051 0.00041 72 4PZ 0.00042 0.00249 0.00003 -0.00095 -0.00030 73 5PX 0.00411 0.00100 0.00520 -0.00721 0.00269 74 5PY 0.00646 0.00316 0.01167 0.00315 0.00509 75 5PZ -0.00185 -0.00671 0.00592 -0.00554 -0.00004 76 6PX 0.00192 0.00028 -0.00206 0.00337 -0.00858 77 6PY -0.00375 0.00384 -0.00178 0.00536 -0.00366 78 6PZ 0.00036 0.00219 -0.00291 0.00191 0.00114 79 7D 0 -0.00467 0.00078 0.01593 0.02003 0.00932 80 7D+1 -0.00215 0.00746 -0.01442 0.00642 -0.00372 81 7D-1 -0.00454 -0.01396 -0.02739 0.00240 0.00126 82 7D+2 -0.00245 0.02247 0.02295 0.00836 -0.00919 83 7D-2 0.00230 -0.00075 -0.03063 -0.01117 -0.01119 84 8D 0 -0.00162 -0.00002 0.00543 0.00634 0.00307 85 8D+1 -0.00069 0.00214 -0.00434 0.00140 -0.00118 86 8D-1 -0.00174 -0.00418 -0.00859 0.00057 0.00060 87 8D+2 -0.00080 0.00725 0.00773 0.00274 -0.00295 88 8D-2 0.00061 -0.00069 -0.00969 -0.00335 -0.00372 89 5 Cu 1S -0.00086 0.00009 -0.00054 -0.00009 0.00017 90 2S 0.00054 0.01649 -0.01374 -0.00209 -0.00468 91 3S -0.00395 0.00305 -0.00815 0.00069 0.00199 92 4PX 0.00021 -0.00096 -0.00054 -0.00241 -0.00094 93 4PY -0.00103 0.00106 -0.00211 0.00042 -0.00032 94 4PZ 0.00024 -0.00166 -0.00300 -0.00360 -0.00035 95 5PX -0.00114 0.00425 -0.00135 0.00317 0.00021 96 5PY 0.00031 -0.00337 0.00493 -0.00648 0.00082 97 5PZ -0.00211 0.00241 -0.00357 0.00627 -0.00039 98 6PX -0.00014 0.00050 -0.00028 -0.00019 0.00147 99 6PY 0.00075 -0.00356 -0.00010 -0.00249 0.00176 100 6PZ -0.00365 -0.00157 -0.00331 -0.00260 0.00056 101 7D 0 0.00172 -0.00158 0.00471 -0.00055 0.00699 102 7D+1 -0.00117 0.00374 0.01322 0.01044 -0.02050 103 7D-1 0.00126 -0.00007 0.01693 0.01633 -0.00500 104 7D+2 0.00017 0.00412 0.00451 0.00815 -0.01373 105 7D-2 0.00161 -0.00234 -0.00166 -0.00246 0.00735 106 8D 0 0.00067 -0.00051 0.00163 -0.00017 0.00239 107 8D+1 -0.00043 0.00127 0.00454 0.00339 -0.00677 108 8D-1 -0.00011 0.00034 0.00570 0.00581 -0.00167 109 8D+2 0.00027 0.00127 0.00147 0.00272 -0.00451 110 8D-2 0.00041 -0.00106 -0.00068 -0.00066 0.00261 111 6 Cu 1S -0.00077 0.00003 0.00093 -0.00015 -0.00003 112 2S 0.00275 -0.00969 0.00407 -0.01445 -0.00933 113 3S -0.00612 -0.00002 0.01093 -0.00220 -0.01032 114 4PX -0.00083 -0.00333 0.00102 0.00076 -0.00104 115 4PY -0.00110 0.00131 -0.00330 0.00167 -0.00055 116 4PZ 0.00048 0.00070 0.00126 -0.00325 -0.00064 117 5PX -0.00006 0.01004 -0.00152 -0.00130 -0.00425 118 5PY 0.00193 -0.00668 0.00742 -0.00859 0.00083 119 5PZ -0.00352 -0.00023 -0.00130 0.01106 -0.00150 120 6PX -0.00205 0.00051 -0.00208 0.00029 -0.00032 121 6PY 0.00164 0.00103 0.00389 0.00080 -0.00148 122 6PZ -0.00288 -0.00044 -0.00375 0.00077 -0.00083 123 7D 0 0.00129 0.00640 0.00310 -0.00396 -0.00205 124 7D+1 0.00125 -0.00101 0.00184 0.00373 0.00071 125 7D-1 0.00009 0.00256 0.00284 0.00425 0.00691 126 7D+2 -0.00094 -0.00181 0.00684 0.00195 -0.00352 127 7D-2 0.00014 0.00448 -0.00018 0.00129 -0.00303 128 8D 0 0.00059 0.00223 0.00118 -0.00144 -0.00080 129 8D+1 0.00015 -0.00020 0.00079 0.00154 0.00024 130 8D-1 -0.00006 0.00087 0.00139 0.00161 0.00205 131 8D+2 -0.00034 -0.00071 0.00257 0.00043 -0.00132 132 8D-2 -0.00015 0.00185 0.00014 0.00046 -0.00099 133 7 Cu 1S -0.00015 -0.00022 -0.00050 0.00013 -0.00041 134 2S -0.00562 -0.00980 -0.00973 0.01646 -0.01180 135 3S 0.00356 -0.00180 -0.00741 0.00421 -0.01316 136 4PX 0.00013 -0.00261 -0.00279 -0.00142 -0.00339 137 4PY -0.00057 -0.00028 -0.00153 0.00137 -0.00020 138 4PZ 0.00031 -0.00302 -0.00100 -0.00254 -0.00083 139 5PX 0.00086 0.00285 -0.00231 0.00173 -0.00287 140 5PY 0.00249 -0.00421 0.00530 -0.00556 -0.00015 141 5PZ -0.00187 0.00333 -0.00294 0.00743 0.00180 142 6PX 0.00177 -0.00248 -0.00293 -0.00280 -0.00036 143 6PY 0.00071 -0.00087 -0.00013 -0.00357 0.00136 144 6PZ -0.00133 -0.00110 -0.00123 0.00028 -0.00214 145 7D 0 -0.00022 0.00980 0.00736 0.00833 0.01115 146 7D+1 0.00015 0.00537 0.00925 0.00015 0.00522 147 7D-1 0.00033 0.00641 0.00365 0.00052 0.01241 148 7D+2 0.00109 0.00734 0.00699 0.00158 -0.01245 149 7D-2 -0.00070 0.01721 0.01350 0.00380 0.00796 150 8D 0 -0.00015 0.00318 0.00251 0.00270 0.00378 151 8D+1 0.00016 0.00177 0.00319 -0.00002 0.00193 152 8D-1 0.00012 0.00241 0.00104 0.00015 0.00427 153 8D+2 0.00029 0.00251 0.00239 0.00069 -0.00428 154 8D-2 -0.00056 0.00586 0.00465 0.00172 0.00247 155 8 C 1S 0.00006 0.00219 0.00412 0.00224 0.00231 156 2S -0.00016 -0.00537 -0.00767 -0.00603 -0.00417 157 3S 0.00106 -0.00546 -0.00465 -0.00668 -0.00181 158 4PX 0.00238 0.00061 0.00608 -0.00707 -0.00259 159 4PY 0.00053 -0.00366 0.00409 -0.00492 0.00106 160 4PZ 0.00173 -0.00461 0.00846 -0.00378 0.00124 161 5PX 0.00032 0.00023 0.00196 -0.00436 0.00059 162 5PY 0.00001 -0.00131 0.00088 -0.00137 0.00005 163 5PZ 0.00036 -0.00349 0.00310 -0.00263 0.00087 164 9 O 1S -0.00001 -0.00066 0.00031 -0.00103 -0.00177 165 2S 0.00020 0.00154 -0.00018 0.00227 0.00375 166 3S -0.00061 0.00324 0.00210 0.00416 0.00490 167 4PX -0.00207 0.00101 -0.00328 0.00668 -0.00993 168 4PY -0.00047 0.00072 -0.00747 0.00171 -0.00736 169 4PZ -0.00136 0.00559 -0.00327 0.00548 -0.00020 170 5PX -0.00107 0.00003 -0.00247 0.00445 -0.00449 171 5PY -0.00011 0.00129 -0.00278 0.00173 -0.00246 172 5PZ -0.00077 0.00345 -0.00328 0.00291 -0.00082 11 12 13 14 15 11 6PY 0.00986 12 6PZ -0.00110 0.00804 13 7D 0 -0.00140 0.01254 0.74239 14 7D+1 0.01303 0.01714 0.00219 0.75147 15 7D-1 0.02524 0.02888 -0.00157 -0.00205 0.75312 16 7D+2 -0.00709 -0.00046 0.00042 -0.00386 0.00399 17 7D-2 0.01768 0.00389 0.00278 -0.00230 -0.00253 18 8D 0 -0.00045 0.00432 0.24741 0.00107 0.00005 19 8D+1 0.00459 0.00602 0.00118 0.25079 -0.00032 20 8D-1 0.00878 0.00983 0.00007 -0.00026 0.25039 21 8D+2 -0.00239 -0.00009 -0.00063 -0.00072 0.00084 22 8D-2 0.00619 0.00144 0.00080 -0.00008 -0.00011 23 2 Cu 1S 0.00035 0.00035 0.00266 -0.00097 -0.00019 24 2S -0.00986 0.00746 0.03548 -0.01185 0.00704 25 3S 0.00154 0.01783 0.13345 -0.02727 0.10182 26 4PX -0.00266 -0.00043 -0.00414 0.00781 -0.00071 27 4PY 0.00583 -0.00588 -0.01008 -0.00013 0.00393 28 4PZ 0.00291 -0.00412 -0.01527 -0.00329 -0.00983 29 5PX 0.00281 -0.00247 0.00546 -0.02891 0.00067 30 5PY -0.00418 0.00267 0.03786 0.00108 -0.03079 31 5PZ 0.00481 0.00465 0.07745 -0.00201 0.03156 32 6PX -0.00166 0.00107 -0.01848 -0.00674 -0.00014 33 6PY -0.00735 0.00277 -0.01451 -0.00322 -0.03263 34 6PZ -0.00585 0.00337 -0.00414 -0.01643 -0.01671 35 7D 0 0.01796 -0.01309 -0.01114 -0.00578 -0.02011 36 7D+1 -0.01388 -0.00221 -0.00707 0.02540 -0.00166 37 7D-1 -0.00429 -0.00928 -0.01841 -0.00190 0.01723 38 7D+2 0.01929 -0.00245 0.00367 0.00328 -0.00848 39 7D-2 -0.00744 -0.00271 -0.00366 0.00985 0.00120 40 8D 0 0.00624 -0.00431 -0.00246 -0.00123 -0.00391 41 8D+1 -0.00464 -0.00095 -0.00304 0.00284 0.00042 42 8D-1 -0.00153 -0.00322 -0.00418 0.00047 0.00227 43 8D+2 0.00656 -0.00076 0.00049 -0.00004 -0.00067 44 8D-2 -0.00259 -0.00093 -0.00024 0.00187 -0.00020 45 3 Cu 1S 0.00042 0.00062 -0.00114 0.00060 -0.00081 46 2S -0.00994 0.00807 -0.02024 0.01134 0.00094 47 3S 0.00030 0.01214 -0.07119 0.05080 0.02831 48 4PX 0.00587 0.00036 0.00351 -0.01253 -0.00121 49 4PY 0.00544 -0.00173 0.00186 -0.00294 0.00263 50 4PZ -0.00041 0.00752 0.00660 0.00060 0.00061 51 5PX 0.00208 0.00236 -0.02586 0.04924 0.00038 52 5PY -0.00413 0.00170 -0.01438 0.01725 -0.00873 53 5PZ 0.00444 -0.00285 -0.01709 -0.01081 -0.00103 54 6PX -0.00651 0.00175 -0.01677 -0.00265 0.00553 55 6PY -0.00652 0.00249 -0.00009 -0.00362 0.01024 56 6PZ -0.00320 -0.00084 0.00682 -0.02227 -0.00377 57 7D 0 0.00072 -0.00480 0.00567 0.01690 0.00407 58 7D+1 -0.00617 -0.00538 0.02192 0.00421 0.00188 59 7D-1 -0.00516 -0.01790 0.00432 0.00138 -0.00338 60 7D+2 0.02793 -0.00612 -0.00464 -0.01376 -0.00703 61 7D-2 -0.01463 -0.00764 -0.00648 -0.00300 0.01213 62 8D 0 0.00026 -0.00178 0.00072 0.00118 0.00151 63 8D+1 -0.00202 -0.00214 0.00465 -0.00134 0.00075 64 8D-1 -0.00177 -0.00572 0.00083 0.00068 -0.00032 65 8D+2 0.00953 -0.00207 -0.00114 -0.00222 -0.00132 66 8D-2 -0.00502 -0.00269 -0.00199 -0.00006 0.00229 67 4 Cu 1S 0.00071 0.00054 -0.00067 -0.00048 -0.00067 68 2S 0.00925 -0.00855 -0.01296 0.00624 0.00305 69 3S 0.01481 0.00587 -0.07060 0.00701 0.03117 70 4PX -0.00237 0.00028 0.00352 0.00051 -0.00267 71 4PY -0.00481 0.00223 0.00810 -0.00062 -0.00502 72 4PZ -0.00170 0.00283 0.00275 0.00201 0.00361 73 5PX -0.00598 0.00234 -0.02797 -0.00152 0.01505 74 5PY 0.00555 0.00653 -0.05095 0.01097 0.02500 75 5PZ -0.00925 0.00383 -0.00009 -0.02509 -0.03700 76 6PX 0.00630 -0.00099 -0.02675 0.02508 0.02053 77 6PY 0.01024 -0.00920 0.02199 -0.00609 -0.01103 78 6PZ 0.00499 -0.00827 0.03448 -0.00526 -0.02577 79 7D 0 -0.00815 -0.00474 -0.00168 0.00432 0.00979 80 7D+1 -0.00510 0.00199 0.00447 -0.00265 0.00330 81 7D-1 -0.00698 -0.01197 0.01657 0.00453 0.01871 82 7D+2 -0.00735 0.00589 -0.00108 0.00850 0.00570 83 7D-2 -0.00123 0.00014 -0.00209 0.00428 -0.00384 84 8D 0 -0.00308 -0.00140 0.00011 0.00071 0.00112 85 8D+1 -0.00197 0.00073 0.00034 -0.00057 -0.00053 86 8D-1 -0.00253 -0.00376 0.00347 0.00079 0.00322 87 8D+2 -0.00297 0.00218 0.00022 0.00195 0.00149 88 8D-2 -0.00040 0.00020 -0.00111 0.00120 0.00016 89 5 Cu 1S -0.00018 -0.00035 0.00003 0.00052 -0.00290 90 2S 0.00422 -0.01523 -0.01067 0.00395 -0.01756 91 3S 0.00122 -0.01364 0.02224 0.01335 -0.08531 92 4PX -0.00353 0.00074 -0.00048 0.00030 -0.00027 93 4PY -0.00298 -0.00021 0.00117 0.00175 -0.00127 94 4PZ -0.00183 -0.00342 -0.00173 -0.00098 -0.00131 95 5PX 0.00237 0.00231 -0.00087 0.00248 -0.00120 96 5PY -0.00589 0.00050 0.00875 -0.00324 -0.01544 97 5PZ 0.00108 -0.00248 0.00786 0.00007 -0.01321 98 6PX -0.00106 -0.00102 0.01005 -0.00783 -0.00458 99 6PY -0.00187 0.00268 -0.01167 0.01283 -0.00457 100 6PZ 0.00174 -0.00156 0.01987 -0.00090 0.00114 101 7D 0 0.01378 -0.01400 0.00029 -0.00342 -0.00172 102 7D+1 0.01462 0.00570 0.00282 0.00263 0.00133 103 7D-1 0.00138 0.00461 -0.00121 -0.00086 -0.00651 104 7D+2 0.01191 -0.00447 0.00128 -0.00269 0.00401 105 7D-2 -0.00176 0.01434 -0.00385 0.00415 0.00073 106 8D 0 0.00460 -0.00463 0.00017 -0.00121 -0.00126 107 8D+1 0.00482 0.00211 0.00124 0.00133 0.00061 108 8D-1 0.00025 0.00140 -0.00036 -0.00056 -0.00446 109 8D+2 0.00402 -0.00145 -0.00025 -0.00083 0.00228 110 8D-2 -0.00038 0.00503 -0.00132 0.00198 0.00038 111 6 Cu 1S -0.00091 0.00013 -0.00019 -0.00141 -0.00180 112 2S -0.01186 -0.01076 -0.00684 -0.00913 -0.00645 113 3S -0.01993 -0.01067 -0.01684 -0.06859 -0.05656 114 4PX -0.00098 -0.00054 0.00192 -0.00192 0.00086 115 4PY -0.00164 -0.00053 0.00076 0.00023 -0.00144 116 4PZ -0.00112 -0.00121 -0.00264 -0.00087 -0.00104 117 5PX -0.00272 -0.00076 -0.00500 -0.00296 -0.01480 118 5PY -0.00927 0.00245 -0.00325 -0.00847 -0.00122 119 5PZ -0.00270 -0.00489 0.00847 -0.00752 -0.01269 120 6PX 0.00077 -0.00130 0.01134 -0.00664 -0.01916 121 6PY -0.00368 -0.00121 -0.00840 -0.02305 -0.00565 122 6PZ 0.00190 -0.00114 -0.00210 0.00797 -0.00043 123 7D 0 -0.00261 -0.00158 0.00051 0.00086 -0.00099 124 7D+1 0.00255 -0.00112 -0.00059 -0.00584 -0.00463 125 7D-1 -0.00449 0.00219 0.00240 -0.00281 -0.00277 126 7D+2 -0.00741 0.00006 0.00266 0.00366 -0.00262 127 7D-2 0.00073 0.00788 -0.00312 -0.00221 -0.00227 128 8D 0 -0.00108 -0.00058 0.00096 -0.00013 -0.00081 129 8D+1 0.00047 -0.00030 -0.00065 -0.00304 -0.00332 130 8D-1 -0.00160 0.00054 0.00070 -0.00114 -0.00151 131 8D+2 -0.00261 -0.00026 0.00108 0.00162 -0.00174 132 8D-2 0.00015 0.00248 -0.00068 -0.00139 -0.00126 133 7 Cu 1S -0.00008 0.00008 0.00084 0.00061 -0.00005 134 2S 0.00528 -0.01007 0.01811 -0.00602 -0.00073 135 3S 0.00359 -0.00289 0.00390 0.03862 0.03037 136 4PX -0.00070 -0.00107 0.00032 -0.00106 0.00049 137 4PY -0.00337 0.00022 0.00200 0.00162 -0.00098 138 4PZ -0.00351 -0.00048 0.00001 -0.00074 0.00030 139 5PX -0.00046 -0.00111 -0.00670 0.00875 0.00606 140 5PY -0.00526 0.00208 -0.00656 0.00523 0.00038 141 5PZ 0.00311 -0.00011 0.00621 0.00096 -0.00045 142 6PX 0.00158 -0.00002 0.00315 0.00921 0.00738 143 6PY -0.00207 0.00292 -0.00160 0.00831 0.00662 144 6PZ 0.00040 0.00056 -0.01785 0.00854 0.01245 145 7D 0 0.00709 -0.02470 -0.00241 0.00172 0.00091 146 7D+1 0.01331 -0.00723 0.00133 0.00207 0.00211 147 7D-1 -0.00119 0.00549 0.00226 0.00035 0.00202 148 7D+2 0.01477 -0.00707 -0.00231 -0.00409 0.00116 149 7D-2 -0.00369 -0.00598 0.00486 -0.00127 -0.00262 150 8D 0 0.00234 -0.00818 -0.00039 0.00025 0.00020 151 8D+1 0.00443 -0.00223 0.00071 0.00138 0.00152 152 8D-1 -0.00027 0.00201 0.00107 0.00033 0.00061 153 8D+2 0.00487 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17 18 19 20 16 7D+2 0.74491 17 7D-2 0.00346 0.75253 18 8D 0 -0.00064 0.00050 0.08250 19 8D+1 -0.00049 -0.00009 0.00054 0.08384 20 8D-1 0.00112 -0.00021 0.00022 0.00007 0.08337 21 8D+2 0.24709 0.00140 -0.00047 0.00002 0.00021 22 8D-2 0.00147 0.24966 0.00013 0.00024 0.00021 23 2 Cu 1S 0.00011 -0.00071 0.00123 -0.00022 0.00008 24 2S -0.00197 0.00157 0.01206 -0.00322 0.00322 25 3S -0.00547 0.00375 0.04508 -0.00893 0.03473 26 4PX 0.00010 0.00212 -0.00075 0.00313 0.00000 27 4PY -0.00149 0.00047 -0.00253 -0.00005 0.00236 28 4PZ 0.00211 0.00005 -0.00232 -0.00062 -0.00195 29 5PX 0.00807 -0.00804 0.00164 -0.00958 0.00028 30 5PY -0.00808 0.01007 0.01279 0.00073 -0.01018 31 5PZ -0.00056 -0.00382 0.02628 -0.00016 0.01107 32 6PX 0.01004 -0.00956 -0.00621 -0.00228 -0.00021 33 6PY -0.00557 0.02703 -0.00489 -0.00121 -0.01138 34 6PZ -0.00635 0.01030 -0.00142 -0.00590 -0.00622 35 7D 0 0.00717 -0.00481 -0.00402 -0.00011 -0.00343 36 7D+1 0.00620 0.00936 -0.00229 0.00335 0.00081 37 7D-1 -0.01363 0.00359 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0.02661 -0.00692 0.00717 -0.00230 -0.00362 78 6PZ 0.00194 0.02615 0.01149 -0.00180 -0.00862 79 7D 0 -0.00142 -0.00083 -0.00055 0.00085 0.00102 80 7D+1 0.00657 0.00149 0.00087 -0.00011 -0.00003 81 7D-1 0.00954 -0.00456 0.00439 0.00088 0.00338 82 7D+2 0.00243 0.01553 -0.00099 0.00197 0.00149 83 7D-2 0.02134 0.01048 -0.00090 0.00160 -0.00013 84 8D 0 -0.00009 -0.00023 0.00005 0.00006 -0.00035 85 8D+1 0.00019 -0.00025 -0.00009 0.00008 -0.00053 86 8D-1 0.00183 0.00036 0.00081 0.00005 0.00016 87 8D+2 0.00146 0.00205 -0.00012 0.00037 0.00031 88 8D-2 0.00344 0.00092 -0.00042 0.00045 0.00043 89 5 Cu 1S 0.00071 0.00090 0.00006 0.00018 -0.00086 90 2S 0.01526 -0.00008 -0.00429 0.00056 -0.00690 91 3S 0.01492 0.06728 0.00722 0.00463 -0.02912 92 4PX -0.00005 0.00001 -0.00005 -0.00007 -0.00025 93 4PY 0.00149 -0.00081 0.00053 0.00041 0.00009 94 4PZ 0.00020 0.00101 -0.00071 -0.00034 -0.00029 95 5PX 0.00533 -0.00398 -0.00025 0.00109 0.00000 96 5PY -0.00413 0.01040 0.00302 -0.00091 -0.00551 97 5PZ 0.00105 0.01196 0.00254 -0.00014 -0.00441 98 6PX -0.00915 0.01778 0.00327 -0.00277 -0.00155 99 6PY -0.00969 0.01224 -0.00386 0.00450 -0.00142 100 6PZ 0.00843 0.01012 0.00662 -0.00008 0.00072 101 7D 0 0.00133 0.00244 -0.00006 -0.00155 -0.00140 102 7D+1 0.00129 0.00064 0.00106 0.00115 0.00048 103 7D-1 0.00514 -0.00101 -0.00047 -0.00045 -0.00445 104 7D+2 -0.00163 0.00117 -0.00009 -0.00080 0.00212 105 7D-2 -0.00104 0.00279 -0.00136 0.00195 0.00056 106 8D 0 0.00055 0.00197 0.00001 -0.00055 -0.00068 107 8D+1 0.00112 0.00037 0.00046 0.00054 0.00025 108 8D-1 0.00298 -0.00030 -0.00017 -0.00029 -0.00226 109 8D+2 -0.00076 -0.00006 -0.00025 -0.00024 0.00104 110 8D-2 -0.00076 0.00129 -0.00047 0.00088 0.00028 111 6 Cu 1S 0.00007 -0.00147 0.00001 -0.00041 -0.00059 112 2S -0.00736 -0.00333 -0.00299 -0.00507 -0.00360 113 3S 0.00088 -0.04886 -0.00614 -0.02512 -0.01993 114 4PX -0.00201 -0.00128 0.00077 -0.00048 0.00054 115 4PY 0.00170 -0.00120 0.00035 0.00042 -0.00052 116 4PZ 0.00061 0.00061 -0.00084 -0.00012 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-0.00064 156 2S 0.00788 -0.00047 0.00088 -0.00084 0.00102 157 3S 0.01011 0.02065 0.00157 0.00359 0.01047 158 4PX -0.00474 0.00491 -0.00284 -0.00057 0.00193 159 4PY 0.00342 0.00480 0.00052 -0.00089 0.00243 160 4PZ -0.01025 0.00700 -0.00242 -0.00126 0.00207 161 5PX 0.00729 0.00722 0.00187 -0.00131 -0.00170 162 5PY -0.00838 0.00481 -0.00098 0.00279 0.00147 163 5PZ 0.01028 -0.00995 0.00097 -0.00095 0.00133 164 9 O 1S 0.00099 0.00007 0.00032 0.00003 -0.00001 165 2S -0.00163 -0.00001 -0.00066 -0.00018 0.00021 166 3S -0.00985 -0.00137 -0.00134 0.00059 -0.00201 167 4PX 0.00463 -0.00265 0.00259 0.00032 -0.00134 168 4PY -0.00131 -0.00351 -0.00065 0.00045 -0.00130 169 4PZ 0.00924 -0.00631 0.00180 0.00121 -0.00132 170 5PX 0.00078 -0.00312 0.00086 0.00029 -0.00025 171 5PY -0.00183 -0.00241 -0.00027 -0.00002 -0.00149 172 5PZ 0.00340 -0.00107 0.00062 0.00051 -0.00078 21 22 23 24 25 21 8D+2 0.08200 22 8D-2 0.00059 0.08293 23 2 Cu 1S 0.00000 -0.00024 1.00496 24 2S -0.00046 0.00094 0.00699 0.16882 25 3S -0.00199 0.00099 0.01147 0.06387 0.25041 26 4PX -0.00003 0.00071 0.00137 0.01186 -0.01989 27 4PY -0.00072 0.00012 0.00175 0.00897 -0.03610 28 4PZ 0.00043 0.00020 -0.00167 -0.00785 0.04062 29 5PX 0.00275 -0.00264 -0.00216 -0.02754 -0.04705 30 5PY -0.00274 0.00351 -0.00156 -0.00747 -0.03205 31 5PZ -0.00014 -0.00090 0.00158 0.00366 0.02781 32 6PX 0.00346 -0.00324 -0.00208 0.01005 -0.01596 33 6PY -0.00158 0.00903 -0.00129 0.01524 -0.01025 34 6PZ -0.00189 0.00311 0.00150 -0.01002 0.01392 35 7D 0 0.00182 -0.00089 -0.00003 -0.00182 -0.02202 36 7D+1 0.00223 0.00184 -0.00041 -0.00080 0.03020 37 7D-1 -0.00425 0.00204 0.00022 -0.01235 -0.09561 38 7D+2 -0.00080 -0.00018 -0.00018 0.00203 0.05014 39 7D-2 0.00175 -0.00159 0.00017 -0.00089 -0.03942 40 8D 0 0.00039 -0.00012 0.00004 -0.00052 -0.00723 41 8D+1 0.00074 0.00010 -0.00029 -0.00203 0.00883 42 8D-1 -0.00136 0.00086 -0.00014 -0.00424 -0.03276 43 8D+2 -0.00006 0.00002 -0.00012 0.00060 0.01693 44 8D-2 0.00072 -0.00013 0.00012 0.00175 -0.01202 45 3 Cu 1S 0.00103 -0.00018 -0.00123 -0.00390 -0.00164 46 2S 0.01016 -0.00080 -0.00388 0.05455 -0.00972 47 3S 0.04519 0.01837 -0.00162 -0.01014 -0.03274 48 4PX -0.00164 -0.00103 -0.00144 -0.01552 -0.00824 49 4PY -0.00141 0.00303 0.00013 -0.00367 0.00657 50 4PZ -0.00196 -0.00025 0.00069 0.01216 0.01276 51 5PX 0.02005 0.00201 -0.00197 0.02111 -0.01790 52 5PY 0.00130 -0.01248 0.00062 0.01902 0.00950 53 5PZ 0.01293 0.00087 0.00034 -0.03115 -0.01148 54 6PX -0.00446 -0.00864 -0.00012 -0.00555 -0.00529 55 6PY -0.00958 -0.00960 -0.00032 0.01333 0.00585 56 6PZ -0.00104 -0.00022 0.00056 0.00328 0.01419 57 7D 0 0.00012 0.00081 0.00006 -0.00409 0.01026 58 7D+1 -0.00240 -0.00083 -0.00165 -0.02935 -0.14202 59 7D-1 -0.00117 0.00141 -0.00054 -0.01373 -0.02161 60 7D+2 -0.00348 -0.00064 -0.00009 0.00437 0.07231 61 7D-2 -0.00422 0.00435 0.00201 0.00845 0.00880 62 8D 0 0.00033 0.00061 0.00006 -0.00148 0.00433 63 8D+1 -0.00016 0.00000 -0.00063 -0.00994 -0.04791 64 8D-1 -0.00016 -0.00025 -0.00017 -0.00439 -0.00782 65 8D+2 -0.00098 0.00036 0.00002 0.00091 0.02418 66 8D-2 -0.00152 0.00031 0.00068 0.00274 0.00220 67 4 Cu 1S -0.00045 -0.00015 -0.00213 -0.00405 -0.00266 68 2S -0.00842 0.00379 -0.00622 0.01546 -0.04098 69 3S -0.03714 0.01921 -0.00243 -0.03374 -0.05048 70 4PX 0.00188 0.00207 -0.00036 -0.01036 -0.00718 71 4PY 0.00296 -0.00232 -0.00092 -0.01453 -0.00332 72 4PZ 0.00084 -0.00088 0.00092 0.01326 0.00393 73 5PX -0.00718 -0.01303 -0.00024 0.03858 0.02147 74 5PY -0.02853 0.01873 -0.00260 0.01262 -0.03185 75 5PZ -0.00179 0.00444 0.00309 -0.00468 0.03631 76 6PX 0.00571 -0.01772 -0.00055 -0.01443 -0.00679 77 6PY 0.00881 -0.00226 -0.00119 -0.00821 -0.01527 78 6PZ 0.00069 0.00872 -0.00002 0.00429 0.00003 79 7D 0 -0.00095 0.00051 -0.00108 -0.00671 -0.00211 80 7D+1 0.00059 -0.00025 -0.00121 -0.01615 -0.05662 81 7D-1 0.00228 -0.00003 0.00060 -0.02067 -0.06593 82 7D+2 -0.00029 0.00248 0.00115 0.00109 -0.01673 83 7D-2 0.00500 0.00096 0.00117 0.01541 0.05120 84 8D 0 -0.00019 0.00015 -0.00037 -0.00186 -0.00005 85 8D+1 -0.00046 -0.00030 -0.00040 -0.00375 -0.01886 86 8D-1 0.00035 0.00057 0.00040 -0.00730 -0.02328 87 8D+2 0.00015 -0.00020 0.00053 0.00046 -0.00538 88 8D-2 0.00048 -0.00049 0.00042 0.00354 0.01735 89 5 Cu 1S 0.00017 0.00031 -0.00112 -0.00422 -0.00283 90 2S 0.00481 -0.00040 -0.00380 0.06469 -0.03242 91 3S 0.00508 0.02287 -0.00331 0.02035 -0.07573 92 4PX -0.00010 -0.00001 0.00079 0.00480 -0.00653 93 4PY 0.00043 -0.00035 -0.00114 -0.01335 -0.02465 94 4PZ -0.00036 0.00043 -0.00030 -0.00199 -0.01224 95 5PX 0.00178 -0.00135 -0.00017 -0.00652 0.00045 96 5PY -0.00135 0.00344 -0.00063 0.02717 -0.00627 97 5PZ 0.00036 0.00417 -0.00062 -0.00116 -0.00869 98 6PX -0.00307 0.00590 0.00055 0.00311 0.00456 99 6PY -0.00316 0.00429 0.00002 -0.00352 -0.01291 100 6PZ 0.00272 0.00349 -0.00074 0.00500 -0.00647 101 7D 0 0.00057 0.00117 -0.00112 -0.01407 -0.06925 102 7D+1 0.00184 0.00035 0.00043 -0.00552 -0.01272 103 7D-1 0.00312 -0.00047 -0.00057 0.00243 0.07892 104 7D+2 -0.00067 0.00048 -0.00220 -0.03146 -0.12618 105 7D-2 -0.00054 0.00157 0.00111 0.01154 0.02589 106 8D 0 0.00024 0.00078 -0.00052 -0.00478 -0.02323 107 8D+1 0.00085 0.00016 0.00017 -0.00218 -0.00420 108 8D-1 0.00146 -0.00018 -0.00010 0.00162 0.02717 109 8D+2 -0.00030 0.00002 -0.00105 -0.01056 -0.04266 110 8D-2 -0.00032 0.00065 0.00029 0.00302 0.00864 111 6 Cu 1S 0.00011 -0.00050 -0.00121 -0.00361 -0.00067 112 2S -0.00268 -0.00229 -0.00330 0.06645 0.00417 113 3S 0.00063 -0.01741 -0.00035 -0.00593 -0.03264 114 4PX -0.00070 -0.00045 -0.00161 -0.01561 -0.00743 115 4PY 0.00051 -0.00034 -0.00065 -0.01173 -0.01339 116 4PZ 0.00034 0.00044 -0.00035 0.00359 -0.00650 117 5PX 0.00281 -0.00230 -0.00145 0.02059 -0.01856 118 5PY -0.00070 -0.00082 -0.00020 0.03103 0.01127 119 5PZ 0.00048 -0.00547 -0.00046 -0.02252 -0.01205 120 6PX 0.00069 0.00433 -0.00064 -0.00788 -0.01654 121 6PY 0.00060 -0.00407 -0.00049 -0.00103 -0.01179 122 6PZ 0.00073 -0.00640 0.00067 -0.01343 -0.00328 123 7D 0 0.00007 -0.00199 -0.00002 -0.00335 -0.07137 124 7D+1 -0.00002 -0.00183 -0.00183 -0.00706 0.00353 125 7D-1 0.00058 -0.00173 -0.00059 -0.01274 -0.02094 126 7D+2 0.00125 -0.00059 -0.00005 0.00614 0.02709 127 7D-2 0.00081 -0.00105 0.00164 0.03140 0.15079 128 8D 0 -0.00009 -0.00108 -0.00012 -0.00054 -0.02418 129 8D+1 0.00007 -0.00100 -0.00057 -0.00248 0.00190 130 8D-1 0.00027 -0.00086 -0.00014 -0.00399 -0.00722 131 8D+2 0.00060 -0.00028 0.00002 0.00171 0.00826 132 8D-2 0.00020 -0.00045 0.00072 0.01073 0.05113 133 7 Cu 1S -0.00028 -0.00085 0.00039 -0.00185 0.00092 134 2S -0.00302 -0.00603 -0.00226 -0.07332 -0.02724 135 3S -0.00889 -0.03327 -0.00257 -0.01220 0.01820 136 4PX -0.00059 -0.00012 0.00144 0.00275 0.00962 137 4PY 0.00067 0.00001 0.00047 -0.00256 0.00010 138 4PZ -0.00050 -0.00026 -0.00043 0.00321 -0.00119 139 5PX -0.00080 -0.00653 -0.00103 0.00070 -0.00973 140 5PY -0.00070 -0.00520 0.00009 0.01122 0.00275 141 5PZ 0.00069 -0.00091 -0.00015 -0.01343 -0.00459 142 6PX 0.00379 -0.00118 0.00045 0.01298 0.01743 143 6PY -0.00772 0.00000 0.00043 0.00984 0.01557 144 6PZ 0.00268 -0.00414 -0.00002 -0.01028 -0.01033 145 7D 0 0.00157 0.00199 0.00064 -0.00332 0.02128 146 7D+1 0.00047 -0.00117 0.00188 0.01059 0.07113 147 7D-1 -0.00170 -0.00003 0.00071 0.00340 0.03745 148 7D+2 0.00027 -0.00230 -0.00111 0.00359 -0.01944 149 7D-2 0.00075 -0.00421 -0.00197 -0.01034 -0.06391 150 8D 0 0.00064 0.00110 0.00026 -0.00065 0.00769 151 8D+1 0.00021 -0.00058 0.00061 0.00491 0.02509 152 8D-1 -0.00072 -0.00002 0.00023 0.00274 0.01437 153 8D+2 -0.00002 -0.00109 -0.00044 0.00092 -0.00716 154 8D-2 0.00035 -0.00217 -0.00065 -0.00518 -0.02271 155 8 C 1S -0.00083 -0.00019 -0.00053 0.00116 -0.00867 156 2S 0.00234 -0.00008 0.00217 0.00061 0.02572 157 3S 0.00339 0.00666 0.00289 0.00082 0.02941 158 4PX -0.00173 0.00173 0.00025 0.02959 -0.00405 159 4PY 0.00186 0.00110 0.00142 0.00600 0.04494 160 4PZ -0.00388 0.00265 0.00016 0.01370 0.00449 161 5PX 0.00240 0.00238 0.00045 0.01656 0.00303 162 5PY -0.00296 0.00159 0.00107 -0.00229 -0.00027 163 5PZ 0.00341 -0.00334 -0.00043 0.01235 0.01274 164 9 O 1S 0.00050 -0.00016 -0.00008 -0.00046 -0.00818 165 2S -0.00088 0.00039 -0.00006 0.00178 0.01464 166 3S -0.00326 -0.00028 -0.00018 -0.00455 0.01535 167 4PX 0.00134 -0.00099 -0.00074 -0.02737 -0.00297 168 4PY -0.00137 -0.00055 -0.00038 -0.00487 -0.03335 169 4PZ 0.00335 -0.00212 -0.00102 -0.00826 0.01123 170 5PX 0.00015 -0.00106 -0.00043 -0.01874 -0.00176 171 5PY -0.00073 -0.00068 -0.00045 -0.00472 -0.01056 172 5PZ 0.00116 -0.00030 -0.00027 -0.00700 -0.00115 26 27 28 29 30 26 4PX 0.99801 27 4PY -0.00071 0.99840 28 4PZ 0.00105 0.00080 0.99874 29 5PX 0.01410 0.00586 -0.00758 0.03727 30 5PY 0.00550 0.01542 -0.00715 -0.00261 0.03911 31 5PZ -0.00697 -0.00666 0.01516 0.00623 0.00542 32 6PX -0.01189 0.00640 -0.00699 0.00466 0.00270 33 6PY 0.00726 -0.01400 -0.01183 -0.00478 0.00857 34 6PZ -0.00509 -0.01261 -0.01167 0.00011 0.00337 35 7D 0 0.00101 0.00134 0.00309 -0.01971 -0.02515 36 7D+1 0.00006 -0.00043 -0.00127 -0.01858 0.00082 37 7D-1 -0.00092 0.00004 0.00007 0.00691 -0.01841 38 7D+2 -0.00199 0.00277 -0.00109 0.03681 -0.05052 39 7D-2 -0.00041 -0.00076 -0.00046 0.02211 0.01880 40 8D 0 0.00024 0.00012 0.00089 -0.00639 -0.00848 41 8D+1 0.00057 0.00018 -0.00103 -0.00542 0.00053 42 8D-1 -0.00021 0.00061 -0.00075 0.00248 -0.00579 43 8D+2 -0.00053 0.00096 -0.00055 0.01195 -0.01654 44 8D-2 -0.00051 -0.00076 0.00020 0.00664 0.00593 45 3 Cu 1S 0.00114 -0.00027 -0.00110 0.00108 0.00017 46 2S 0.01564 -0.00850 -0.00953 -0.03226 0.02716 47 3S 0.01582 0.00277 -0.00398 -0.00307 0.00722 48 4PX 0.00135 -0.00039 0.00152 0.00105 -0.00206 49 4PY 0.00036 0.00109 -0.00045 -0.00256 -0.00296 50 4PZ 0.00132 0.00010 0.00240 -0.00734 0.00176 51 5PX -0.00063 0.00240 -0.00764 0.00855 0.00008 52 5PY 0.00065 -0.00406 0.00009 -0.00383 0.00667 53 5PZ -0.00862 0.00040 -0.00399 0.01501 -0.00581 54 6PX 0.00325 0.00249 0.00415 0.00550 0.00058 55 6PY 0.00165 0.00236 0.00453 -0.00414 0.00564 56 6PZ 0.00516 -0.00164 0.00332 -0.00501 0.00211 57 7D 0 0.00287 0.00096 0.00319 -0.00539 -0.00431 58 7D+1 -0.01120 0.00400 0.00667 0.05042 -0.00791 59 7D-1 0.00150 0.00352 -0.00266 0.00616 -0.01640 60 7D+2 0.00568 -0.00137 -0.00713 -0.03463 -0.01037 61 7D-2 -0.00471 -0.00517 0.00202 0.00811 0.00915 62 8D 0 0.00126 0.00037 0.00159 -0.00148 -0.00172 63 8D+1 -0.00215 0.00080 0.00117 0.01697 -0.00274 64 8D-1 0.00013 0.00149 -0.00063 0.00206 -0.00504 65 8D+2 0.00026 0.00003 -0.00184 -0.01178 -0.00367 66 8D-2 -0.00102 -0.00230 0.00031 0.00306 0.00274 67 4 Cu 1S -0.00038 0.00106 -0.00114 0.00126 0.00190 68 2S -0.00447 0.01076 -0.01278 0.02061 -0.01507 69 3S 0.01025 0.01088 -0.01075 0.00942 0.01521 70 4PX 0.00084 0.00029 -0.00050 -0.00116 0.00044 71 4PY -0.00044 0.00118 0.00217 0.00048 -0.00062 72 4PZ -0.00003 0.00231 0.00048 0.00105 -0.00820 73 5PX -0.00183 0.00107 -0.00053 -0.00272 0.00066 74 5PY 0.00391 0.00162 -0.01400 0.00794 0.00890 75 5PZ -0.00150 -0.01421 0.00599 -0.01440 0.00937 76 6PX -0.00235 0.00301 -0.00327 0.00022 -0.00545 77 6PY -0.00349 0.01242 0.00398 0.00682 -0.00449 78 6PZ -0.00151 0.00622 0.00874 0.00258 -0.00301 79 7D 0 0.00067 0.00593 -0.00110 -0.00370 -0.00432 80 7D+1 0.00043 -0.00154 -0.00034 0.01076 0.01078 81 7D-1 -0.00021 -0.00854 0.01010 -0.00009 0.03266 82 7D+2 -0.00427 -0.00060 0.00404 0.01426 0.00999 83 7D-2 -0.00123 0.00054 -0.00124 -0.00772 -0.00896 84 8D 0 0.00046 0.00173 0.00078 -0.00176 -0.00047 85 8D+1 0.00062 -0.00060 -0.00026 0.00319 0.00403 86 8D-1 -0.00017 -0.00139 0.00196 0.00059 0.01091 87 8D+2 -0.00141 0.00082 0.00080 0.00445 0.00404 88 8D-2 -0.00068 -0.00009 -0.00045 -0.00260 -0.00297 89 5 Cu 1S -0.00004 0.00206 0.00016 0.00076 0.00075 90 2S -0.00488 0.02406 0.00321 0.02027 -0.04501 91 3S -0.00699 0.01546 -0.00491 0.01930 -0.00350 92 4PX 0.00052 0.00065 0.00083 -0.00212 -0.00287 93 4PY -0.00122 0.00115 0.00036 0.00199 0.00178 94 4PZ 0.00071 -0.00081 0.00086 -0.00318 0.00499 95 5PX -0.00282 0.00129 -0.00320 0.00591 -0.00040 96 5PY 0.00404 0.00157 -0.00083 -0.00996 0.01139 97 5PZ -0.00266 0.00105 -0.00417 0.00669 -0.00272 98 6PX 0.00637 -0.00504 0.00006 -0.00118 -0.00078 99 6PY 0.00226 -0.00488 -0.00424 -0.00152 0.00761 100 6PZ 0.00009 0.00461 0.00411 0.00205 0.00051 101 7D 0 0.00287 -0.00778 -0.00440 -0.01180 0.04213 102 7D+1 -0.00183 0.00018 -0.00009 0.00870 -0.00155 103 7D-1 -0.00033 0.00758 -0.00567 -0.00147 -0.01703 104 7D+2 0.00391 -0.01503 -0.00610 -0.00210 0.07005 105 7D-2 -0.00774 -0.00375 0.00027 0.02770 0.00172 106 8D 0 0.00069 -0.00126 -0.00116 -0.00396 0.01431 107 8D+1 -0.00062 0.00024 -0.00006 0.00295 -0.00024 108 8D-1 0.00008 0.00150 -0.00275 -0.00050 -0.00604 109 8D+2 0.00066 -0.00239 -0.00135 -0.00063 0.02387 110 8D-2 -0.00311 -0.00074 0.00008 0.00908 0.00122 111 6 Cu 1S 0.00131 0.00124 0.00031 0.00070 0.00124 112 2S 0.01762 0.00944 0.01103 -0.03948 -0.00842 113 3S 0.01780 0.00212 0.00045 -0.00594 0.02190 114 4PX 0.00143 -0.00118 0.00053 0.00068 0.00513 115 4PY -0.00119 0.00197 -0.00027 0.00656 -0.00578 116 4PZ -0.00009 -0.00047 0.00131 0.00226 0.00341 117 5PX -0.00090 0.00623 -0.00244 0.00872 -0.00280 118 5PY 0.00783 -0.00308 0.00137 -0.01403 0.01151 119 5PZ -0.00150 0.00016 -0.00462 0.00637 -0.00153 120 6PX 0.00139 -0.00362 -0.00359 0.01009 0.00589 121 6PY -0.00354 0.00264 -0.00117 0.00244 0.00816 122 6PZ -0.00036 0.00357 0.00282 0.00374 -0.00163 123 7D 0 -0.00664 -0.00437 -0.00097 0.03413 0.02530 124 7D+1 0.00591 0.00239 -0.00477 -0.01404 -0.00013 125 7D-1 0.00201 0.00294 -0.00401 0.00479 -0.01406 126 7D+2 0.00001 0.00775 0.00195 -0.01171 -0.01365 127 7D-2 0.01172 0.00679 0.00411 -0.05137 -0.04374 128 8D 0 -0.00084 -0.00064 0.00022 0.01147 0.00831 129 8D+1 0.00124 0.00030 -0.00211 -0.00499 0.00013 130 8D-1 0.00018 0.00064 -0.00160 0.00147 -0.00494 131 8D+2 -0.00114 0.00259 0.00044 -0.00429 -0.00455 132 8D-2 0.00204 0.00109 0.00074 -0.01742 -0.01489 133 7 Cu 1S -0.00067 -0.00024 0.00017 0.00044 -0.00044 134 2S 0.00287 0.00274 -0.00351 -0.00041 -0.00635 135 3S -0.01002 0.00079 -0.00252 0.00245 -0.01155 136 4PX 0.00006 -0.00068 0.00074 -0.00372 -0.00053 137 4PY -0.00129 0.00097 0.00024 0.00258 -0.00207 138 4PZ 0.00127 0.00039 0.00120 -0.00263 -0.00045 139 5PX -0.00219 0.00068 -0.00116 0.00666 -0.00109 140 5PY 0.00230 -0.00363 0.00065 -0.00788 0.01168 141 5PZ -0.00239 0.00019 -0.00459 0.00852 -0.00127 142 6PX -0.00307 -0.00002 -0.00001 -0.00556 -0.00459 143 6PY 0.00080 -0.00248 0.00159 -0.00294 -0.00136 144 6PZ -0.00033 0.00141 -0.00170 0.00097 -0.00142 145 7D 0 -0.00179 -0.00112 -0.00280 -0.00080 -0.00147 146 7D+1 -0.00065 0.00070 0.00197 -0.01146 -0.01398 147 7D-1 0.00024 -0.00083 0.00148 -0.00555 0.00089 148 7D+2 0.00275 -0.00211 0.00010 0.00048 0.01337 149 7D-2 0.00055 0.00221 0.00052 0.01134 0.00297 150 8D 0 -0.00059 -0.00035 -0.00103 -0.00053 -0.00051 151 8D+1 -0.00004 0.00054 0.00059 -0.00409 -0.00495 152 8D-1 0.00035 -0.00034 0.00056 -0.00244 0.00026 153 8D+2 0.00096 -0.00085 0.00008 0.00042 0.00448 154 8D-2 0.00003 0.00075 0.00046 0.00407 0.00129 155 8 C 1S -0.00064 0.00121 -0.00143 0.00305 -0.00235 156 2S 0.00140 -0.00313 0.00392 -0.00890 0.00427 157 3S 0.00546 -0.00369 0.00377 -0.01170 0.00815 158 4PX 0.00181 -0.00208 0.00226 -0.00527 0.00905 159 4PY 0.00342 -0.00520 0.00396 -0.01380 0.00735 160 4PZ 0.00359 -0.00460 0.00000 -0.00985 0.01227 161 5PX 0.00086 -0.00359 0.00413 -0.00427 0.00461 162 5PY 0.00162 -0.00108 0.00022 -0.00216 0.00630 163 5PZ 0.00185 -0.00191 0.00098 -0.00814 0.00542 164 9 O 1S 0.00014 -0.00024 0.00037 -0.00069 0.00239 165 2S -0.00032 0.00061 -0.00103 0.00184 -0.00501 166 3S -0.00110 0.00127 -0.00178 0.00383 -0.00553 167 4PX -0.00121 0.00215 -0.00234 0.00398 -0.00861 168 4PY -0.00260 0.00398 -0.00272 0.00996 -0.00542 169 4PZ -0.00304 0.00494 0.00017 0.00991 -0.01642 170 5PX -0.00087 0.00234 -0.00257 0.00298 -0.00556 171 5PY -0.00166 0.00184 -0.00121 0.00517 -0.00494 172 5PZ -0.00208 0.00316 -0.00029 0.00732 -0.00940 31 32 33 34 35 31 5PZ 0.04212 32 6PX -0.00251 0.01068 33 6PY -0.00174 0.00162 0.02123 34 6PZ 0.00310 0.00155 0.01047 0.01899 35 7D 0 -0.05711 -0.02070 -0.05428 -0.07425 0.75153 36 7D+1 0.02389 -0.02117 -0.00337 0.01548 -0.00230 37 7D-1 0.01312 0.00500 -0.00566 -0.01000 -0.00008 38 7D+2 0.01027 0.03443 -0.05802 -0.01575 -0.00114 39 7D-2 0.00018 0.02381 0.01884 0.00028 -0.00146 40 8D 0 -0.01878 -0.00685 -0.01838 -0.02485 0.24717 41 8D+1 0.00762 -0.00698 -0.00135 0.00545 -0.00078 42 8D-1 0.00404 0.00149 -0.00193 -0.00342 0.00062 43 8D+2 0.00325 0.01135 -0.01930 -0.00544 0.00077 44 8D-2 0.00025 0.00796 0.00678 0.00008 -0.00120 45 3 Cu 1S -0.00179 0.00048 -0.00042 0.00014 -0.00140 46 2S 0.00597 0.00739 0.01170 -0.00547 -0.01269 47 3S -0.02191 0.01591 0.00278 -0.00041 -0.03060 48 4PX -0.00611 0.00077 0.00456 0.00284 -0.00133 49 4PY 0.00331 -0.00134 0.00257 0.00163 0.00169 50 4PZ -0.00680 0.00494 0.00269 0.00568 -0.00319 51 5PX 0.00397 0.00930 -0.00314 -0.00533 -0.01224 52 5PY -0.00137 0.00031 0.00547 0.00194 -0.00899 53 5PZ 0.01626 -0.00451 -0.00467 0.00177 0.00075 54 6PX -0.00737 0.00294 -0.00022 0.00621 -0.00967 55 6PY 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115 4PY 0.00258 -0.00478 0.00326 -0.00115 0.00494 116 4PZ -0.00382 0.00207 0.00272 0.00455 0.00494 117 5PX 0.00053 0.00968 0.00400 0.00184 -0.02716 118 5PY -0.00904 0.00457 0.00927 0.00322 -0.01550 119 5PZ 0.01038 0.00015 -0.00152 0.00234 -0.03121 120 6PX 0.00131 0.00288 -0.00426 0.00129 0.00219 121 6PY -0.00071 0.00258 0.00475 0.00575 -0.01784 122 6PZ 0.00647 -0.00354 -0.00178 -0.00337 0.00784 123 7D 0 -0.01183 0.02171 -0.00721 0.00649 -0.00968 124 7D+1 0.01338 0.00386 0.01153 -0.00932 0.01049 125 7D-1 0.01618 0.00021 0.01114 -0.00082 0.00708 126 7D+2 -0.00254 -0.00426 0.01717 0.01763 0.00112 127 7D-2 -0.00923 0.00003 -0.01521 0.01615 0.00420 128 8D 0 -0.00427 0.00752 -0.00246 0.00211 -0.00318 129 8D+1 0.00423 0.00157 0.00425 -0.00264 0.00080 130 8D-1 0.00489 0.00049 0.00386 -0.00005 0.00067 131 8D+2 -0.00109 -0.00148 0.00596 0.00590 0.00038 132 8D-2 -0.00323 0.00005 -0.00513 0.00535 0.00138 133 7 Cu 1S 0.00044 0.00025 -0.00132 0.00067 0.00087 134 2S 0.00908 -0.01104 -0.01618 -0.00038 0.00438 135 3S 0.01394 -0.00917 -0.02254 0.00194 0.00918 136 4PX 0.00042 0.00029 -0.00202 0.00155 0.00069 137 4PY 0.00032 -0.00075 -0.00045 0.00232 0.00058 138 4PZ -0.00341 -0.00020 0.00299 -0.00034 0.00106 139 5PX 0.00154 0.00138 -0.00510 0.00060 -0.00054 140 5PY -0.00365 0.00179 0.00204 0.00196 -0.00336 141 5PZ 0.01474 -0.00160 -0.00076 -0.00041 -0.00803 142 6PX 0.00464 -0.00349 -0.00067 -0.00294 0.00131 143 6PY -0.00249 -0.00116 0.00040 0.00138 0.00960 144 6PZ -0.00127 0.00131 -0.00117 -0.00161 0.00113 145 7D 0 0.01507 -0.00697 -0.02331 -0.01251 -0.00171 146 7D+1 0.00356 -0.01688 -0.00863 -0.00489 -0.00252 147 7D-1 -0.00020 -0.01404 0.00573 -0.01165 -0.00254 148 7D+2 -0.00610 0.01181 -0.00250 -0.00871 -0.00064 149 7D-2 -0.01314 0.01331 -0.00914 -0.00848 -0.00109 150 8D 0 0.00495 -0.00238 -0.00758 -0.00410 -0.00016 151 8D+1 0.00149 -0.00575 -0.00251 -0.00161 -0.00106 152 8D-1 0.00002 -0.00469 0.00195 -0.00392 -0.00112 153 8D+2 -0.00207 0.00408 -0.00090 -0.00283 -0.00004 154 8D-2 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1S 0.00175 -0.00409 -0.00065 0.00090 -0.00063 156 2S -0.00539 0.00974 -0.00048 -0.00018 0.00220 157 3S -0.00615 0.00215 0.00552 -0.00368 0.00148 158 4PX -0.00681 0.00117 -0.00130 0.00140 0.00329 159 4PY -0.00349 -0.01041 0.01264 -0.00859 0.00217 160 4PZ -0.00546 0.00354 -0.00657 -0.00086 -0.00136 161 5PX -0.00416 -0.00027 0.00108 -0.00067 0.00168 162 5PY -0.00152 -0.00036 0.00094 -0.00077 -0.01347 163 5PZ -0.00300 0.00042 0.00050 -0.00005 0.00143 164 9 O 1S -0.00034 0.00366 -0.00538 0.00131 0.00022 165 2S 0.00080 -0.00725 0.01014 -0.00228 0.00049 166 3S 0.00338 -0.01395 0.01423 -0.00456 -0.00625 167 4PX 0.00706 -0.00340 -0.00557 0.00685 -0.00478 168 4PY 0.00106 0.01957 -0.02375 0.00680 -0.00205 169 4PZ 0.00492 -0.00892 -0.00066 -0.00963 -0.00135 170 5PX 0.00442 -0.00081 -0.00315 0.00340 -0.00253 171 5PY 0.00207 0.00423 -0.00690 0.00144 -0.00148 172 5PZ 0.00255 -0.00211 -0.00179 -0.00326 -0.00069 146 147 148 149 150 146 7D+1 0.75233 147 7D-1 -0.00265 0.75490 148 7D+2 0.00100 -0.00032 0.74311 149 7D-2 0.00146 0.00169 0.00106 0.75183 150 8D 0 0.00073 -0.00008 0.00045 0.00006 0.08232 151 8D+1 0.25030 -0.00047 -0.00015 -0.00028 0.00014 152 8D-1 -0.00011 0.25138 0.00019 -0.00017 -0.00007 153 8D+2 -0.00039 0.00000 0.24695 0.00044 0.00026 154 8D-2 -0.00035 0.00021 0.00040 0.25013 -0.00029 155 8 C 1S 0.00272 -0.00102 0.00169 -0.00245 -0.00024 156 2S -0.00691 0.00595 -0.00483 0.00483 0.00090 157 3S -0.01793 -0.00668 -0.00183 0.03002 0.00078 158 4PX -0.00177 0.00323 -0.00662 0.00016 0.00143 159 4PY -0.00754 0.00652 -0.00276 0.00553 0.00104 160 4PZ 0.00036 0.00471 0.00810 -0.00125 -0.00056 161 5PX -0.00610 0.01410 -0.00059 0.00589 0.00066 162 5PY -0.00730 -0.00090 0.01377 -0.00176 -0.00442 163 5PZ -0.00667 0.00468 -0.00832 -0.00691 0.00049 164 9 O 1S -0.00050 -0.00002 -0.00081 0.00034 0.00008 165 2S 0.00171 -0.00042 0.00084 -0.00062 0.00010 166 3S 0.00147 0.00169 0.00982 -0.00443 -0.00211 167 4PX 0.00613 -0.00520 0.00803 -0.00575 -0.00142 168 4PY 0.00431 -0.00368 0.00124 -0.00425 -0.00106 169 4PZ -0.00086 -0.00403 -0.00612 -0.00190 -0.00092 170 5PX 0.00583 -0.00668 0.00384 -0.00539 -0.00081 171 5PY 0.00285 -0.00189 -0.00108 -0.00409 -0.00064 172 5PZ 0.00195 -0.00293 -0.00146 0.00048 -0.00046 151 152 153 154 155 151 8D+1 0.08339 152 8D-1 0.00012 0.08384 153 8D+2 -0.00032 0.00008 0.08211 154 8D-2 -0.00041 -0.00020 0.00019 0.08335 155 8 C 1S 0.00086 -0.00036 0.00057 -0.00086 1.04810 156 2S -0.00248 0.00203 -0.00174 0.00206 -0.10172 157 3S -0.00562 -0.00255 -0.00085 0.00979 -0.10804 158 4PX -0.00074 0.00171 -0.00259 0.00004 -0.00031 159 4PY -0.00193 0.00214 -0.00134 0.00124 -0.02831 160 4PZ -0.00001 0.00160 0.00327 -0.00029 0.00685 161 5PX -0.00207 0.00503 -0.00029 0.00193 0.00149 162 5PY -0.00248 -0.00033 0.00457 -0.00055 -0.02315 163 5PZ -0.00217 0.00163 -0.00270 -0.00239 0.00795 164 9 O 1S 0.00002 -0.00010 -0.00045 -0.00019 0.00578 165 2S 0.00018 0.00004 0.00068 0.00038 -0.00929 166 3S 0.00026 0.00072 0.00349 -0.00114 0.01085 167 4PX 0.00141 -0.00164 0.00223 -0.00133 0.00936 168 4PY 0.00073 -0.00120 0.00085 -0.00051 -0.04656 169 4PZ -0.00005 -0.00143 -0.00176 -0.00068 0.02462 170 5PX 0.00167 -0.00231 0.00113 -0.00150 0.00242 171 5PY 0.00080 -0.00065 -0.00031 -0.00117 -0.00542 172 5PZ 0.00067 -0.00101 -0.00035 0.00026 0.00468 156 157 158 159 160 156 2S 0.26225 157 3S 0.21442 0.24380 158 4PX 0.00560 -0.00560 0.18397 159 4PY 0.04882 0.15544 -0.00532 0.33255 160 4PZ -0.00500 -0.04730 0.01656 -0.04830 0.20762 161 5PX 0.00076 0.00380 0.03444 0.01258 0.00150 162 5PY 0.04700 0.04166 0.00626 0.00950 0.01381 163 5PZ -0.01099 -0.00543 0.00313 0.02255 0.02923 164 9 O 1S -0.00543 0.02276 -0.00412 0.03329 -0.01413 165 2S 0.00478 -0.05234 0.00981 -0.08237 0.03444 166 3S -0.04988 -0.06111 -0.00428 0.00523 -0.00726 167 4PX -0.02255 -0.02041 0.22191 0.05012 -0.03346 168 4PY 0.11959 -0.01250 0.05170 -0.21192 0.18548 169 4PZ -0.06126 -0.02397 -0.03385 0.18334 0.14429 170 5PX -0.00650 -0.01106 0.08053 0.00859 -0.01196 171 5PY 0.01353 -0.00940 0.01005 -0.02737 0.04317 172 5PZ -0.01231 -0.01242 -0.01233 0.04128 0.06054 161 162 163 164 165 161 5PX 0.01043 162 5PY 0.00111 0.01383 163 5PZ 0.00339 -0.00012 0.01228 164 9 O 1S 0.00017 -0.00305 0.00095 1.05930 165 2S -0.00008 0.00085 -0.00021 -0.12954 0.30223 166 3S 0.00069 -0.01003 0.00359 -0.12469 0.26274 167 4PX 0.02984 -0.00681 -0.00378 -0.00284 0.00528 168 4PY -0.00652 0.02872 -0.00767 0.01700 -0.02918 169 4PZ -0.00384 -0.00805 0.03063 -0.00821 0.01466 170 5PX 0.00821 -0.00285 -0.00320 -0.00241 0.00586 171 5PY -0.00246 0.00285 -0.00128 0.01515 -0.03635 172 5PZ -0.00329 -0.00180 0.00707 -0.00715 0.01728 166 167 168 169 170 166 3S 0.27112 167 4PX 0.02264 0.42249 168 4PY -0.14011 0.00678 0.43409 169 4PZ 0.06654 0.00776 0.00429 0.42467 170 5PX 0.00938 0.16706 0.01360 0.00019 0.06798 171 5PY -0.05005 0.01514 0.09997 0.03692 0.00841 172 5PZ 0.02553 -0.00021 0.03489 0.15506 0.00033 171 172 171 5PY 0.03106 172 5PZ 0.02034 0.06134 BETA DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.00574 2 2S 0.00854 0.17978 3 3S 0.00455 0.09839 0.16984 4 4PX 0.00173 0.01258 -0.01642 0.99606 5 4PY 0.00190 0.01001 -0.02910 0.00018 0.99541 6 4PZ 0.00207 0.01584 -0.01694 0.00037 0.00034 7 5PX -0.00101 -0.01880 -0.03126 0.01889 0.00265 8 5PY -0.00154 -0.00847 -0.02790 0.00220 0.02264 9 5PZ -0.00109 -0.02496 -0.03858 0.00072 0.00277 10 6PX -0.00060 0.00628 -0.00605 -0.00640 0.00427 11 6PY 0.00012 -0.00475 -0.01032 0.00258 -0.00479 12 6PZ -0.00090 0.01003 -0.00654 0.00358 0.00505 13 7D 0 -0.00039 -0.00708 -0.00853 -0.00090 -0.00067 14 7D+1 -0.00045 -0.01342 -0.04301 0.00078 -0.00031 15 7D-1 -0.00062 -0.00781 -0.07165 -0.00022 0.00025 16 7D+2 -0.00052 -0.00501 -0.00688 0.00102 -0.00132 17 7D-2 -0.00034 -0.00549 -0.05434 -0.00141 0.00070 18 8D 0 -0.00026 -0.00144 -0.00266 -0.00011 0.00012 19 8D+1 -0.00020 -0.00197 -0.01284 0.00006 -0.00011 20 8D-1 -0.00019 -0.00027 -0.02252 0.00002 -0.00056 21 8D+2 -0.00035 -0.00113 -0.00256 0.00031 0.00000 22 8D-2 -0.00005 -0.00006 -0.01690 -0.00102 -0.00028 23 2 Cu 1S -0.00116 -0.00307 -0.00172 0.00066 0.00076 24 2S -0.00374 0.08544 0.03263 0.00337 0.00654 25 3S -0.00248 -0.02370 -0.06312 -0.00745 0.01535 26 4PX 0.00008 0.00052 -0.00248 0.00014 0.00023 27 4PY -0.00039 -0.00902 -0.00249 -0.00062 0.00020 28 4PZ -0.00201 -0.02097 -0.01266 -0.00099 -0.00017 29 5PX 0.00031 0.00530 0.00618 -0.00135 0.00069 30 5PY 0.00066 0.02657 0.01269 0.00368 -0.00360 31 5PZ -0.00124 0.03450 -0.00180 0.00305 0.00450 32 6PX -0.00087 0.00609 -0.00383 0.00626 0.00104 33 6PY -0.00077 0.01130 0.00007 -0.00068 0.00202 34 6PZ -0.00108 -0.01107 -0.01925 -0.00158 -0.00044 35 7D 0 -0.00041 0.01345 0.09204 0.00147 0.00902 36 7D+1 0.00170 0.02055 0.04139 -0.00821 0.00109 37 7D-1 0.00209 0.02132 0.09404 0.00156 -0.00646 38 7D+2 -0.00100 -0.01338 -0.02655 -0.00193 0.00190 39 7D-2 0.00051 0.01018 0.03282 -0.00353 -0.00062 40 8D 0 0.00022 0.00428 0.03079 0.00082 0.00250 41 8D+1 0.00065 0.00615 0.01365 -0.00295 0.00027 42 8D-1 0.00087 0.00735 0.03223 0.00055 -0.00282 43 8D+2 -0.00027 -0.00488 -0.00914 -0.00066 0.00044 44 8D-2 0.00013 0.00487 0.01117 -0.00128 -0.00025 45 3 Cu 1S -0.00115 -0.00308 -0.00175 0.00079 0.00072 46 2S -0.00373 0.08514 0.03228 0.00985 0.00552 47 3S -0.00250 -0.02378 -0.06317 0.02422 0.01040 48 4PX -0.00196 -0.02137 -0.01155 0.00083 -0.00048 49 4PY -0.00008 -0.00567 -0.00116 0.00108 0.00003 50 4PZ -0.00058 -0.00559 -0.00644 0.00049 0.00003 51 5PX -0.00114 0.03536 -0.00110 0.00116 0.00364 52 5PY 0.00087 0.02191 0.01389 -0.00268 -0.00311 53 5PZ -0.00024 0.01325 0.00331 0.00200 0.00233 54 6PX -0.00085 -0.00990 -0.01633 0.00796 -0.00208 55 6PY -0.00073 0.01367 0.00215 -0.00100 0.00253 56 6PZ -0.00106 0.00021 -0.01012 -0.00169 0.00165 57 7D 0 0.00006 -0.00647 -0.04049 -0.00142 -0.00082 58 7D+1 0.00131 0.02751 0.09177 0.01169 0.00294 59 7D-1 0.00080 0.00970 0.04334 0.00281 -0.00392 60 7D+2 -0.00070 0.00195 0.06432 0.01026 0.00422 61 7D-2 0.00243 0.02087 0.06880 0.00355 -0.00817 62 8D 0 0.00000 -0.00312 -0.01394 0.00059 -0.00043 63 8D+1 0.00066 0.00897 0.03061 0.00161 0.00106 64 8D-1 0.00028 0.00455 0.01488 0.00088 -0.00161 65 8D+2 0.00009 0.00017 0.02162 0.00016 0.00132 66 8D-2 0.00089 0.00678 0.02367 0.00080 -0.00309 67 4 Cu 1S -0.00116 -0.00214 -0.00527 0.00018 0.00004 68 2S -0.00305 0.04071 0.02562 0.00366 0.00557 69 3S -0.00432 -0.02058 -0.06977 0.00880 0.03854 70 4PX -0.00051 -0.00715 -0.00721 0.00085 0.00036 71 4PY -0.00186 -0.02477 -0.01253 -0.00105 0.00080 72 4PZ -0.00034 -0.00482 -0.00778 -0.00024 0.00059 73 5PX -0.00034 0.02038 0.00589 -0.00370 0.00167 74 5PY -0.00145 0.05022 -0.01637 0.00560 -0.00225 75 5PZ -0.00019 0.01825 0.01186 0.00224 0.00170 76 6PX 0.00021 -0.00640 -0.00823 -0.00164 -0.00128 77 6PY 0.00019 -0.01520 -0.01987 -0.00039 0.00664 78 6PZ 0.00024 -0.00628 -0.00786 0.00222 -0.00375 79 7D 0 0.00034 -0.00353 -0.01538 -0.00010 -0.00508 80 7D+1 0.00032 0.00539 0.03496 -0.00088 0.00138 81 7D-1 0.00166 0.02152 0.05761 0.00155 0.00748 82 7D+2 0.00088 -0.00269 -0.03122 -0.00653 -0.00589 83 7D-2 0.00095 0.01686 0.05484 -0.00397 0.00840 84 8D 0 0.00012 -0.00030 -0.00472 0.00028 -0.00028 85 8D+1 0.00009 0.00292 0.01255 -0.00040 0.00038 86 8D-1 0.00069 0.00677 0.01895 0.00024 0.00144 87 8D+2 0.00037 -0.00035 -0.01040 -0.00198 0.00015 88 8D-2 0.00039 0.00528 0.01821 -0.00163 0.00140 89 5 Cu 1S 0.00051 -0.00039 0.00057 0.00004 -0.00102 90 2S -0.00050 -0.04102 -0.00491 -0.00479 0.00023 91 3S 0.00066 0.00390 0.01101 0.00406 -0.01471 92 4PX -0.00001 -0.00471 0.00427 -0.00004 0.00007 93 4PY 0.00080 -0.00276 0.00411 -0.00006 -0.00019 94 4PZ 0.00090 -0.00040 0.01280 -0.00006 -0.00013 95 5PX -0.00001 0.00938 -0.00052 -0.00044 0.00075 96 5PY 0.00033 0.01129 0.00838 0.00167 -0.00224 97 5PZ 0.00027 0.00778 0.00153 0.00078 -0.00419 98 6PX 0.00031 -0.00356 0.00300 -0.00169 0.00052 99 6PY 0.00038 0.01037 0.01068 0.00024 -0.00382 100 6PZ 0.00065 0.00502 0.00849 0.00235 -0.00160 101 7D 0 -0.00031 0.00014 -0.02050 0.00002 0.00006 102 7D+1 -0.00069 -0.00128 -0.06663 0.00041 0.00038 103 7D-1 -0.00274 -0.01371 -0.09327 -0.00070 0.00181 104 7D+2 0.00078 0.02105 -0.00146 0.00026 -0.00134 105 7D-2 -0.00028 0.00336 -0.00825 -0.00074 0.00014 106 8D 0 -0.00010 0.00052 -0.00708 0.00001 -0.00046 107 8D+1 -0.00020 -0.00011 -0.02224 0.00013 0.00017 108 8D-1 -0.00084 -0.00573 -0.03199 -0.00038 0.00043 109 8D+2 0.00019 0.00762 -0.00020 -0.00003 -0.00035 110 8D-2 -0.00008 0.00203 -0.00286 -0.00004 0.00001 111 6 Cu 1S 0.00039 -0.00127 -0.00154 -0.00074 -0.00089 112 2S -0.00134 -0.05036 -0.00637 -0.00032 0.00003 113 3S 0.00055 -0.01119 0.02397 -0.00593 -0.00134 114 4PX 0.00038 -0.00165 0.00259 0.00066 -0.00039 115 4PY 0.00035 -0.00827 0.00669 -0.00052 -0.00016 116 4PZ 0.00047 -0.00059 0.00226 -0.00098 -0.00021 117 5PX -0.00009 0.00089 0.00531 -0.00265 -0.00042 118 5PY 0.00019 0.02170 0.01013 0.00020 -0.00090 119 5PZ -0.00017 -0.00338 0.00544 0.00030 -0.00102 120 6PX 0.00047 0.00689 0.00975 -0.00077 -0.00053 121 6PY -0.00087 0.00552 0.00091 0.00094 0.00004 122 6PZ 0.00089 0.00898 0.01422 -0.00196 -0.00069 123 7D 0 -0.00029 0.00090 -0.00387 -0.00147 0.00091 124 7D+1 -0.00223 -0.01324 -0.01720 0.00132 0.00082 125 7D-1 -0.00207 -0.01939 -0.04045 0.00016 0.00096 126 7D+2 0.00037 0.00428 -0.00740 0.00012 0.00074 127 7D-2 -0.00185 -0.01675 -0.02860 0.00056 0.00049 128 8D 0 -0.00013 -0.00016 -0.00122 -0.00072 0.00020 129 8D+1 -0.00075 -0.00546 -0.00659 0.00033 0.00010 130 8D-1 -0.00064 -0.00827 -0.01477 -0.00017 0.00026 131 8D+2 0.00008 0.00084 -0.00216 0.00026 0.00009 132 8D-2 -0.00057 -0.00680 -0.01064 0.00014 0.00012 133 7 Cu 1S 0.00051 -0.00039 0.00057 -0.00096 -0.00088 134 2S -0.00050 -0.04091 -0.00528 0.00409 -0.00115 135 3S 0.00066 0.00381 0.01072 -0.00600 -0.01326 136 4PX 0.00101 0.00058 0.01136 -0.00029 -0.00015 137 4PY 0.00065 -0.00356 0.00314 -0.00070 -0.00005 138 4PZ 0.00019 -0.00411 0.00766 0.00014 0.00001 139 5PX 0.00032 0.00647 0.00321 -0.00228 -0.00407 140 5PY 0.00027 0.01168 0.00766 -0.00125 -0.00102 141 5PZ 0.00004 0.00979 -0.00108 -0.00068 -0.00039 142 6PX 0.00058 0.00792 0.00910 -0.00422 -0.00135 143 6PY 0.00035 0.00856 0.00981 0.00026 -0.00347 144 6PZ 0.00048 -0.00279 0.00450 -0.00099 0.00044 145 7D 0 0.00059 0.01493 -0.02097 -0.00117 -0.00069 146 7D+1 -0.00080 -0.00484 -0.05736 0.00031 0.00057 147 7D-1 -0.00090 0.00491 -0.03477 0.00116 0.00000 148 7D+2 -0.00046 0.00525 -0.02553 0.00066 -0.00025 149 7D-2 -0.00261 -0.01856 -0.08938 0.00056 0.00181 150 8D 0 0.00015 0.00533 -0.00661 -0.00015 -0.00001 151 8D+1 -0.00022 -0.00100 -0.01931 -0.00002 -0.00004 152 8D-1 -0.00029 0.00215 -0.01189 0.00012 0.00003 153 8D+2 -0.00017 0.00168 -0.00881 0.00025 -0.00048 154 8D-2 -0.00078 -0.00761 -0.03057 -0.00022 0.00060 155 8 C 1S -0.00059 0.00108 -0.01589 0.00043 -0.00025 156 2S 0.00162 -0.00233 0.02968 -0.00085 0.00225 157 3S 0.00332 -0.00179 0.02131 -0.00241 -0.00931 158 4PX 0.00009 0.01442 -0.00618 -0.00055 0.00005 159 4PY -0.00028 0.00544 -0.00088 -0.00079 0.00114 160 4PZ 0.00021 0.01976 -0.00861 0.00151 -0.00054 161 5PX -0.00018 0.00638 0.00120 -0.00025 0.00045 162 5PY 0.00062 0.00363 0.00566 -0.00014 0.00120 163 5PZ -0.00040 0.00833 0.00039 -0.00017 0.00038 164 9 O 1S -0.00041 -0.00142 0.00181 -0.00007 0.00009 165 2S 0.00078 0.00353 -0.00493 0.00020 -0.00103 166 3S -0.00055 0.00202 -0.01188 0.00043 0.00319 167 4PX -0.00023 -0.01422 -0.01925 0.00071 0.00039 168 4PY 0.00131 -0.00443 0.00635 0.00040 -0.00080 169 4PZ -0.00063 -0.01969 -0.02922 -0.00111 0.00107 170 5PX 0.00009 -0.00954 -0.00805 0.00039 -0.00012 171 5PY -0.00016 -0.00495 -0.00163 0.00041 0.00044 172 5PZ 0.00018 -0.01265 -0.01117 -0.00056 -0.00019 6 7 8 9 10 6 4PZ 0.99622 7 5PX 0.00060 0.01482 8 5PY 0.00210 0.00440 0.01373 9 5PZ 0.01841 0.00490 0.00563 0.01648 10 6PX 0.00322 0.00191 0.00113 0.00063 0.00613 11 6PY 0.00266 0.00046 -0.00044 0.00101 0.00020 12 6PZ -0.00525 0.00079 0.00202 0.00200 0.00190 13 7D 0 0.00179 -0.01922 -0.01638 0.02754 -0.00258 14 7D+1 -0.00021 0.02125 0.00142 0.01158 0.01667 15 7D-1 -0.00114 0.00499 0.02002 0.02966 0.00482 16 7D+2 0.00055 0.02223 -0.03192 0.00010 0.01278 17 7D-2 -0.00031 0.02366 0.02079 0.00530 0.02756 18 8D 0 0.00051 -0.00644 -0.00530 0.00889 -0.00077 19 8D+1 -0.00032 0.00656 0.00033 0.00320 0.00581 20 8D-1 -0.00070 0.00142 0.00625 0.00937 0.00180 21 8D+2 0.00045 0.00731 -0.01036 0.00005 0.00428 22 8D-2 -0.00002 0.00743 0.00656 0.00150 0.00934 23 2 Cu 1S 0.00092 -0.00015 0.00018 0.00095 0.00052 24 2S 0.01040 -0.00040 -0.00669 -0.01822 0.00367 25 3S 0.02021 0.00490 0.00186 0.01544 0.00593 26 4PX 0.00044 -0.00105 0.00042 -0.00121 0.00660 27 4PY 0.00099 0.00228 -0.00225 -0.00206 0.00044 28 4PZ 0.00055 -0.00006 -0.00045 0.00412 0.00516 29 5PX 0.00038 0.00059 0.00052 0.00051 -0.00131 30 5PY -0.00082 -0.00333 0.00136 0.00277 0.00018 31 5PZ 0.00233 -0.00353 0.00185 0.00373 0.00082 32 6PX -0.00274 0.00336 0.00196 0.00045 -0.00173 33 6PY 0.00034 0.00015 0.00405 0.00152 0.00060 34 6PZ 0.00705 0.00328 0.00655 0.00849 -0.00133 35 7D 0 0.01307 -0.01203 -0.03242 -0.05039 0.00601 36 7D+1 0.00323 0.02036 -0.00672 -0.01418 -0.00595 37 7D-1 0.00936 -0.00767 0.00282 -0.04279 -0.01253 38 7D+2 -0.00028 0.01363 -0.01380 0.00659 -0.00476 39 7D-2 0.00092 0.00874 0.00969 -0.00669 -0.01277 40 8D 0 0.00035 -0.00412 -0.01083 -0.01674 0.00189 41 8D+1 0.00067 0.00645 -0.00212 -0.00438 -0.00235 42 8D-1 0.00179 -0.00267 0.00060 -0.01441 -0.00411 43 8D+2 -0.00016 0.00461 -0.00461 0.00237 -0.00153 44 8D-2 0.00043 0.00285 0.00324 -0.00237 -0.00400 45 3 Cu 1S 0.00083 0.00099 0.00001 0.00018 0.00016 46 2S 0.00585 -0.01803 -0.00396 -0.00575 0.00253 47 3S -0.00192 0.01316 0.00061 0.00965 0.01291 48 4PX -0.00078 0.00314 -0.00134 0.00217 -0.00457 49 4PY -0.00010 -0.00367 -0.00118 0.00117 -0.00401 50 4PZ 0.00002 0.00114 0.00019 -0.00108 -0.00437 51 5PX 0.00389 0.00526 0.00041 -0.00268 0.00544 52 5PY 0.00283 0.00313 0.00029 -0.00180 -0.00003 53 5PZ -0.00056 0.00151 0.00066 0.00015 0.00184 54 6PX -0.00069 0.00797 0.00526 0.00376 0.00176 55 6PY -0.00001 0.00086 0.00325 -0.00001 0.00052 56 6PZ 0.00477 0.00225 0.00382 0.00453 0.00157 57 7D 0 -0.00658 0.00776 -0.00357 0.02915 0.00516 58 7D+1 -0.00273 -0.04260 -0.00985 -0.00477 -0.00954 59 7D-1 -0.00115 -0.01407 0.01170 0.00233 0.00074 60 7D+2 0.00666 -0.04064 -0.02558 -0.02180 -0.00678 61 7D-2 0.00361 -0.02337 0.01193 -0.01622 -0.00381 62 8D 0 -0.00203 0.00295 -0.00116 0.00974 0.00170 63 8D+1 -0.00172 -0.01386 -0.00328 -0.00184 -0.00314 64 8D-1 -0.00045 -0.00483 0.00380 0.00070 0.00012 65 8D+2 0.00146 -0.01356 -0.00869 -0.00721 -0.00210 66 8D-2 0.00108 -0.00786 0.00370 -0.00553 -0.00142 67 4 Cu 1S 0.00025 0.00090 0.00238 0.00079 0.00054 68 2S 0.00402 -0.00444 -0.01165 -0.00380 -0.00296 69 3S 0.00419 0.01157 0.01994 0.01226 0.00614 70 4PX -0.00055 -0.00275 0.00182 0.00187 0.00287 71 4PY -0.00141 0.00231 0.00373 0.00152 0.00038 72 4PZ 0.00070 0.00178 0.00095 -0.00199 -0.00008 73 5PX 0.00305 0.00261 0.00258 -0.00312 0.00218 74 5PY 0.00713 0.00070 0.01290 -0.00076 0.00494 75 5PZ -0.00328 -0.00270 0.00185 0.00006 -0.00094 76 6PX 0.00229 -0.00108 -0.00082 0.00170 -0.00828 77 6PY -0.00272 0.00110 0.00132 0.00076 -0.00314 78 6PZ 0.00078 0.00137 -0.00189 0.00017 0.00122 79 7D 0 -0.00373 -0.00151 0.01830 0.01587 0.00965 80 7D+1 -0.00059 0.00347 -0.00959 -0.00013 -0.00267 81 7D-1 -0.00641 -0.00868 -0.03213 0.01036 0.00011 82 7D+2 -0.00256 0.02233 0.02233 0.00869 -0.00902 83 7D-2 0.00106 0.00226 -0.03332 -0.00582 -0.01152 84 8D 0 -0.00136 -0.00063 0.00605 0.00521 0.00314 85 8D+1 -0.00022 0.00102 -0.00294 -0.00044 -0.00086 86 8D-1 -0.00235 -0.00254 -0.01013 0.00308 0.00023 87 8D+2 -0.00087 0.00731 0.00737 0.00301 -0.00291 88 8D-2 0.00023 0.00023 -0.01052 -0.00173 -0.00381 89 5 Cu 1S -0.00079 -0.00004 -0.00038 -0.00037 0.00019 90 2S 0.00271 0.01130 -0.00705 -0.00986 -0.00327 91 3S -0.00189 -0.00057 -0.00277 -0.00851 0.00248 92 4PX 0.00006 -0.00042 -0.00094 -0.00160 -0.00103 93 4PY -0.00080 0.00040 -0.00139 -0.00059 -0.00021 94 4PZ -0.00012 -0.00064 -0.00410 -0.00206 -0.00055 95 5PX -0.00049 0.00161 0.00073 -0.00001 0.00077 96 5PY -0.00062 -0.00024 0.00149 -0.00282 0.00009 97 5PZ -0.00119 -0.00054 -0.00037 0.00192 0.00015 98 6PX -0.00011 0.00068 -0.00022 -0.00004 0.00151 99 6PY 0.00045 -0.00264 -0.00086 -0.00130 0.00158 100 6PZ -0.00346 -0.00183 -0.00279 -0.00344 0.00059 101 7D 0 0.00088 0.00045 0.00313 0.00319 0.00681 102 7D+1 -0.00052 0.00214 0.01441 0.00769 -0.02033 103 7D-1 0.00064 0.00139 0.01485 0.01902 -0.00505 104 7D+2 -0.00002 0.00429 0.00421 0.00854 -0.01359 105 7D-2 0.00082 -0.00050 -0.00339 0.00102 0.00723 106 8D 0 0.00037 0.00015 0.00111 0.00110 0.00234 107 8D+1 -0.00023 0.00076 0.00488 0.00252 -0.00671 108 8D-1 -0.00030 0.00079 0.00503 0.00665 -0.00167 109 8D+2 0.00019 0.00135 0.00133 0.00289 -0.00446 110 8D-2 0.00012 -0.00044 -0.00127 0.00054 0.00256 111 6 Cu 1S -0.00086 0.00031 0.00059 0.00031 -0.00007 112 2S -0.00049 -0.00014 -0.00431 0.00080 -0.01051 113 3S -0.00808 0.00598 0.00407 0.00773 -0.01122 114 4PX -0.00101 -0.00277 0.00047 0.00143 -0.00114 115 4PY -0.00040 -0.00043 -0.00142 -0.00113 -0.00029 116 4PZ 0.00008 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0.00346 0.00682 -0.05148 0.00818 0.02457 75 5PZ -0.00463 0.00173 0.00357 -0.02032 -0.03815 76 6PX 0.00516 -0.00055 -0.02775 0.02387 0.02165 77 6PY 0.00731 -0.00781 0.01913 -0.00902 -0.00879 78 6PZ 0.00404 -0.00782 0.03351 -0.00632 -0.02461 79 7D 0 -0.01065 -0.00327 -0.00388 0.00172 0.01145 80 7D+1 -0.01014 0.00442 0.00079 -0.00696 0.00579 81 7D-1 -0.00080 -0.01447 0.02157 0.01057 0.01537 82 7D+2 -0.00629 0.00545 -0.00085 0.00897 0.00601 83 7D-2 0.00232 -0.00159 0.00106 0.00813 -0.00592 84 8D 0 -0.00370 -0.00100 -0.00045 0.00008 0.00152 85 8D+1 -0.00339 0.00143 -0.00071 -0.00174 0.00010 86 8D-1 -0.00056 -0.00455 0.00512 0.00267 0.00224 87 8D+2 -0.00246 0.00196 0.00037 0.00232 0.00147 88 8D-2 0.00069 -0.00033 -0.00014 0.00234 -0.00051 89 5 Cu 1S -0.00034 -0.00027 -0.00016 0.00030 -0.00276 90 2S -0.00193 -0.01224 -0.01661 -0.00282 -0.01429 91 3S -0.00394 -0.01094 0.01714 0.00838 -0.08261 92 4PX -0.00309 0.00056 -0.00012 0.00075 -0.00059 93 4PY -0.00363 0.00015 0.00048 0.00084 -0.00068 94 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-0.06113 -0.06031 114 4PX -0.00054 -0.00069 0.00231 -0.00150 0.00065 115 4PY -0.00364 0.00025 -0.00103 -0.00199 -0.00043 116 4PZ -0.00008 -0.00165 -0.00176 0.00023 -0.00141 117 5PX -0.00389 -0.00046 -0.00572 -0.00447 -0.01393 118 5PY -0.00323 0.00053 0.00214 -0.00201 -0.00394 119 5PZ -0.00561 -0.00388 0.00533 -0.01072 -0.01174 120 6PX -0.00015 -0.00064 0.01043 -0.00779 -0.01855 121 6PY -0.00282 -0.00192 -0.00710 -0.02165 -0.00654 122 6PZ 0.00037 -0.00014 -0.00366 0.00611 0.00114 123 7D 0 -0.00024 -0.00289 0.00210 0.00319 -0.00236 124 7D+1 0.00410 -0.00252 0.00088 -0.00418 -0.00567 125 7D-1 -0.00681 0.00448 0.00049 -0.00517 -0.00100 126 7D+2 -0.00542 -0.00120 0.00418 0.00549 -0.00349 127 7D-2 -0.00171 0.00817 -0.00485 -0.00430 -0.00122 128 8D 0 -0.00030 -0.00105 0.00157 0.00070 -0.00127 129 8D+1 0.00104 -0.00080 -0.00011 -0.00234 -0.00371 130 8D-1 -0.00229 0.00125 0.00008 -0.00182 -0.00103 131 8D+2 -0.00198 -0.00071 0.00160 0.00230 -0.00207 132 8D-2 -0.00060 0.00253 -0.00114 -0.00206 -0.00093 133 7 Cu 1S -0.00025 0.00014 0.00066 0.00038 0.00009 134 2S -0.00092 -0.00683 0.01278 -0.01311 0.00244 135 3S -0.00172 -0.00079 0.00091 0.03280 0.03342 136 4PX -0.00003 -0.00142 0.00086 -0.00043 0.00015 137 4PY -0.00406 0.00055 0.00114 0.00073 -0.00040 138 4PZ -0.00266 -0.00090 0.00081 0.00013 -0.00031 139 5PX -0.00183 -0.00045 -0.00772 0.00756 0.00685 140 5PY -0.00249 0.00047 -0.00287 0.00854 -0.00174 141 5PZ -0.00013 0.00167 0.00262 -0.00221 0.00166 142 6PX 0.00146 0.00002 0.00283 0.00921 0.00785 143 6PY -0.00125 0.00259 -0.00070 0.00901 0.00613 144 6PZ 0.00016 0.00074 -0.01830 0.00805 0.01290 145 7D 0 0.00614 -0.02414 -0.00366 0.00002 0.00186 146 7D+1 0.01338 -0.00713 0.00153 0.00239 0.00160 147 7D-1 0.00130 0.00465 0.00413 0.00304 0.00075 148 7D+2 0.01651 -0.00762 -0.00053 -0.00151 -0.00019 149 7D-2 -0.00336 -0.00606 0.00432 -0.00186 -0.00214 150 8D 0 0.00204 -0.00800 -0.00076 -0.00026 0.00050 151 8D+1 0.00448 -0.00221 0.00080 0.00153 0.00134 152 8D-1 0.00059 0.00172 0.00171 0.00126 0.00018 153 8D+2 0.00544 -0.00253 -0.00009 -0.00087 0.00023 154 8D-2 -0.00141 -0.00208 0.00239 -0.00103 -0.00116 155 8 C 1S 0.00026 0.00372 -0.00275 -0.00171 -0.00139 156 2S 0.00036 -0.00715 0.00682 0.00218 0.00041 157 3S 0.00089 -0.00514 0.01029 0.01706 0.02769 158 4PX 0.00669 -0.00087 -0.00513 0.00142 0.00237 159 4PY 0.00068 -0.00183 0.00518 0.00352 0.00399 160 4PZ 0.00898 -0.00495 -0.00389 -0.00104 0.00244 161 5PX -0.00017 0.00039 0.00736 -0.00164 -0.00660 162 5PY 0.00119 -0.00074 -0.00148 0.00946 0.00323 163 5PZ -0.00050 0.00066 0.00504 -0.00013 0.00195 164 9 O 1S 0.00160 -0.00283 0.00079 0.00037 0.00034 165 2S -0.00324 0.00608 -0.00190 -0.00149 -0.00005 166 3S -0.00421 0.00799 -0.00531 -0.00001 -0.00581 167 4PX 0.01216 -0.00364 0.00487 -0.00188 -0.00193 168 4PY 0.01336 -0.01397 -0.00357 -0.00302 -0.00199 169 4PZ 0.01308 -0.01155 0.00280 0.00069 -0.00077 170 5PX 0.00531 -0.00197 0.00073 -0.00114 0.00075 171 5PY 0.00469 -0.00474 -0.00243 -0.00235 -0.00296 172 5PZ 0.00603 -0.00566 0.00018 -0.00068 -0.00026 16 17 18 19 20 16 7D+2 0.74522 17 7D-2 0.00394 0.75305 18 8D 0 -0.00076 0.00054 0.08199 19 8D+1 -0.00089 0.00019 0.00043 0.08329 20 8D-1 0.00112 -0.00035 0.00025 0.00013 0.08300 21 8D+2 0.24667 0.00144 -0.00044 -0.00011 0.00013 22 8D-2 0.00153 0.24931 0.00007 0.00031 0.00015 23 2 Cu 1S 0.00017 -0.00086 0.00127 -0.00013 0.00007 24 2S 0.00154 -0.00214 0.01414 -0.00021 0.00198 25 3S -0.00516 0.00020 0.04545 -0.00733 0.03437 26 4PX 0.00095 0.00133 -0.00026 0.00374 -0.00023 27 4PY -0.00196 0.00087 -0.00280 -0.00044 0.00246 28 4PZ 0.00280 -0.00059 -0.00200 -0.00020 -0.00207 29 5PX 0.00589 -0.00573 0.00019 -0.01134 0.00079 30 5PY -0.00616 0.00867 0.01348 0.00177 -0.01050 31 5PZ -0.00281 -0.00182 0.02488 -0.00158 0.01130 32 6PX 0.01066 -0.00978 -0.00582 -0.00201 -0.00065 33 6PY -0.00359 0.02542 -0.00420 -0.00027 -0.01206 34 6PZ -0.00596 0.00961 -0.00150 -0.00585 -0.00631 35 7D 0 0.00816 -0.00556 -0.00350 0.00046 -0.00369 36 7D+1 0.00587 0.00932 -0.00243 0.00325 0.00069 37 7D-1 -0.01447 0.00453 -0.00499 -0.00004 0.00321 38 7D+2 -0.00551 0.00080 -0.00118 -0.00173 0.00029 39 7D-2 0.00313 -0.00664 -0.00032 0.00173 -0.00057 40 8D 0 0.00207 -0.00132 -0.00068 0.00042 -0.00028 41 8D+1 0.00193 0.00159 -0.00107 -0.00086 0.00058 42 8D-1 -0.00457 0.00208 -0.00097 0.00033 -0.00007 43 8D+2 -0.00122 0.00046 -0.00062 -0.00097 0.00081 44 8D-2 0.00148 -0.00111 0.00029 0.00018 -0.00040 45 3 Cu 1S 0.00243 -0.00081 -0.00040 0.00054 -0.00032 46 2S 0.03331 -0.00757 -0.00417 0.00743 -0.00034 47 3S 0.13455 0.05356 -0.02285 0.01850 0.00821 48 4PX -0.01063 -0.00522 0.00030 -0.00243 -0.00016 49 4PY -0.00642 0.00716 0.00006 -0.00098 0.00113 50 4PZ -0.00755 -0.00239 0.00254 0.00229 -0.00007 51 5PX 0.05759 0.00516 -0.00897 0.01645 0.00074 52 5PY 0.00562 -0.03837 -0.00389 0.00679 -0.00316 53 5PZ 0.03480 0.00372 -0.00719 -0.00585 0.00082 54 6PX -0.01337 -0.02403 -0.00527 -0.00135 0.00128 55 6PY -0.02720 -0.02964 0.00107 -0.00042 0.00284 56 6PZ -0.00282 -0.00088 0.00251 -0.00742 -0.00159 57 7D 0 -0.00640 0.00046 -0.00068 0.00010 0.00191 58 7D+1 -0.01159 -0.00757 0.00588 -0.00001 0.00085 59 7D-1 -0.00744 0.01277 0.00028 -0.00050 -0.00019 60 7D+2 -0.00911 -0.00981 -0.00082 -0.00307 -0.00066 61 7D-2 -0.01308 0.02368 -0.00240 -0.00009 0.00294 62 8D 0 -0.00122 0.00132 -0.00065 -0.00153 0.00069 63 8D+1 -0.00182 -0.00159 0.00105 -0.00091 0.00032 64 8D-1 -0.00164 0.00188 -0.00008 -0.00002 0.00020 65 8D+2 -0.00236 -0.00163 -0.00017 -0.00019 0.00012 66 8D-2 -0.00462 0.00435 -0.00077 0.00023 0.00039 67 4 Cu 1S -0.00098 -0.00014 -0.00034 -0.00033 -0.00034 68 2S -0.02841 0.01417 -0.00657 -0.00084 0.00276 69 3S -0.10988 0.05600 -0.02310 0.00210 0.00926 70 4PX 0.00557 0.00300 0.00084 0.00004 -0.00077 71 4PY 0.01206 -0.00832 0.00207 -0.00002 -0.00124 72 4PZ 0.00297 -0.00264 0.00055 0.00061 0.00219 73 5PX -0.02101 -0.03961 -0.00852 0.00064 0.00473 74 5PY -0.08609 0.05359 -0.01676 0.00334 0.00890 75 5PZ -0.00449 0.01119 0.00149 -0.00682 -0.01229 76 6PX 0.01647 -0.05210 -0.00923 0.00783 0.00719 77 6PY 0.02454 -0.00497 0.00622 -0.00330 -0.00298 78 6PZ 0.00151 0.02699 0.01114 -0.00219 -0.00825 79 7D 0 -0.00286 0.00067 -0.00129 0.00003 0.00164 80 7D+1 0.00413 0.00356 -0.00025 -0.00150 0.00078 81 7D-1 0.01281 -0.00710 0.00599 0.00281 0.00241 82 7D+2 0.00264 0.01558 -0.00095 0.00210 0.00163 83 7D-2 0.02334 0.00849 0.00020 0.00280 -0.00079 84 8D 0 -0.00057 0.00018 -0.00014 -0.00013 -0.00019 85 8D+1 -0.00055 0.00029 -0.00040 -0.00029 -0.00031 86 8D-1 0.00294 -0.00051 0.00133 0.00065 -0.00012 87 8D+2 0.00154 0.00204 -0.00008 0.00049 0.00033 88 8D-2 0.00418 0.00037 -0.00008 0.00080 0.00021 89 5 Cu 1S 0.00060 0.00101 0.00000 0.00010 -0.00081 90 2S 0.01165 0.00254 -0.00614 -0.00180 -0.00602 91 3S 0.01333 0.06948 0.00560 0.00293 -0.02833 92 4PX 0.00019 -0.00028 0.00007 0.00008 -0.00034 93 4PY 0.00096 -0.00034 0.00029 0.00008 0.00027 94 4PZ 0.00075 0.00051 -0.00046 0.00001 -0.00046 95 5PX 0.00381 -0.00287 -0.00072 0.00036 0.00044 96 5PY -0.00155 0.00855 0.00385 0.00040 -0.00630 97 5PZ -0.00056 0.01322 0.00196 -0.00110 -0.00369 98 6PX -0.00924 0.01787 0.00314 -0.00283 -0.00149 99 6PY -0.00889 0.01176 -0.00356 0.00480 -0.00157 100 6PZ 0.00801 0.01087 0.00647 -0.00021 0.00081 101 7D 0 0.00227 0.00118 0.00064 -0.00071 -0.00175 102 7D+1 0.00045 0.00120 0.00060 0.00062 0.00070 103 7D-1 0.00558 -0.00145 -0.00015 -0.00001 -0.00447 104 7D+2 -0.00122 0.00088 0.00016 -0.00047 0.00201 105 7D-2 -0.00001 0.00178 -0.00068 0.00268 0.00024 106 8D 0 0.00089 0.00154 0.00026 -0.00026 -0.00079 107 8D+1 0.00086 0.00055 0.00032 0.00038 0.00031 108 8D-1 0.00312 -0.00045 -0.00007 -0.00015 -0.00226 109 8D+2 -0.00058 -0.00016 -0.00015 -0.00011 0.00100 110 8D-2 -0.00039 0.00095 -0.00023 0.00113 0.00018 111 6 Cu 1S 0.00023 -0.00159 0.00008 -0.00032 -0.00062 112 2S -0.00227 -0.00776 -0.00035 -0.00181 -0.00512 113 3S 0.00571 -0.05228 -0.00399 -0.02250 -0.02091 114 4PX -0.00172 -0.00133 0.00088 -0.00034 0.00049 115 4PY 0.00051 -0.00036 -0.00026 -0.00038 -0.00024 116 4PZ 0.00123 0.00016 -0.00056 0.00026 -0.00031 117 5PX 0.00728 -0.00616 -0.00196 -0.00186 -0.00489 118 5PY 0.00092 -0.00437 0.00074 -0.00090 -0.00112 119 5PZ -0.00017 -0.01431 0.00160 -0.00401 -0.00435 120 6PX 0.00151 0.01386 0.00338 -0.00248 -0.00599 121 6PY 0.00268 -0.01241 -0.00234 -0.00732 -0.00245 122 6PZ 0.00121 -0.01917 -0.00113 0.00211 0.00064 123 7D 0 0.00213 -0.00466 0.00109 0.00090 -0.00135 124 7D+1 0.00121 -0.00387 0.00005 -0.00182 -0.00315 125 7D-1 -0.00060 -0.00199 0.00022 -0.00240 -0.00087 126 7D+2 0.00329 -0.00116 0.00147 0.00189 -0.00184 127 7D-2 0.00120 -0.00119 -0.00155 -0.00205 -0.00091 128 8D 0 0.00034 -0.00270 0.00065 0.00019 -0.00063 129 8D+1 0.00073 -0.00245 -0.00013 -0.00094 -0.00169 130 8D-1 0.00004 -0.00146 0.00003 -0.00086 -0.00056 131 8D+2 0.00160 -0.00060 0.00057 0.00079 -0.00095 132 8D-2 0.00017 -0.00072 -0.00036 -0.00092 -0.00049 133 7 Cu 1S -0.00106 -0.00274 0.00014 0.00017 0.00005 134 2S -0.01090 -0.01302 0.00408 -0.00534 -0.00002 135 3S -0.02814 -0.09565 0.00056 0.01102 0.01111 136 4PX -0.00081 -0.00166 -0.00001 -0.00010 0.00013 137 4PY 0.00051 -0.00046 0.00018 0.00013 -0.00009 138 4PZ -0.00073 -0.00078 0.00003 0.00004 -0.00018 139 5PX -0.00230 -0.01786 -0.00263 0.00239 0.00233 140 5PY -0.00038 -0.01714 -0.00082 0.00312 -0.00067 141 5PZ 0.00038 -0.00174 0.00095 -0.00063 0.00065 142 6PX 0.01122 -0.00450 0.00101 0.00336 0.00281 143 6PY -0.02241 -0.00050 -0.00015 0.00317 0.00226 144 6PZ 0.00766 -0.01237 -0.00616 0.00256 0.00429 145 7D 0 0.00266 0.00413 -0.00063 -0.00019 0.00103 146 7D+1 0.00054 -0.00135 0.00123 0.00080 0.00109 147 7D-1 -0.00240 -0.00039 0.00173 0.00134 0.00074 148 7D+2 0.00328 -0.00469 -0.00015 -0.00104 -0.00021 149 7D-2 0.00079 -0.00562 0.00266 -0.00106 -0.00123 150 8D 0 0.00121 0.00261 -0.00006 -0.00015 0.00031 151 8D+1 0.00031 -0.00113 0.00051 0.00052 0.00065 152 8D-1 -0.00121 -0.00028 0.00069 0.00053 0.00023 153 8D+2 0.00076 -0.00251 -0.00003 -0.00049 0.00002 154 8D-2 0.00056 -0.00409 0.00119 -0.00054 -0.00060 155 8 C 1S -0.00384 0.00002 -0.00081 -0.00052 -0.00037 156 2S 0.00999 -0.00253 0.00203 0.00070 0.00029 157 3S 0.01407 0.01677 0.00346 0.00579 0.00908 158 4PX -0.00308 0.00249 -0.00189 0.00067 0.00096 159 4PY 0.00652 0.00127 0.00228 0.00142 0.00112 160 4PZ -0.00889 0.00462 -0.00154 -0.00019 0.00112 161 5PX 0.00816 0.00570 0.00245 -0.00044 -0.00218 162 5PY -0.00756 0.00368 -0.00052 0.00332 0.00104 163 5PZ 0.01127 -0.01132 0.00171 0.00006 0.00068 164 9 O 1S 0.00116 -0.00008 0.00041 0.00014 -0.00007 165 2S -0.00211 0.00042 -0.00091 -0.00050 0.00036 166 3S -0.01068 -0.00061 -0.00175 0.00009 -0.00171 167 4PX 0.00310 -0.00067 0.00171 -0.00080 -0.00054 168 4PY -0.00355 -0.00098 -0.00191 -0.00117 -0.00036 169 4PZ 0.00781 -0.00420 0.00091 0.00010 -0.00052 170 5PX -0.00021 -0.00168 0.00026 -0.00052 0.00030 171 5PY -0.00296 -0.00101 -0.00093 -0.00085 -0.00095 172 5PZ 0.00239 0.00043 -0.00005 -0.00036 -0.00018 21 22 23 24 25 21 8D+2 0.08169 22 8D-2 0.00057 0.08264 23 2 Cu 1S 0.00002 -0.00029 1.00491 24 2S 0.00077 -0.00010 0.00633 0.14732 25 3S -0.00191 -0.00008 0.01096 0.04392 0.23083 26 4PX 0.00024 0.00049 0.00118 0.00536 -0.02493 27 4PY -0.00085 0.00023 0.00181 0.01267 -0.03296 28 4PZ 0.00065 0.00002 -0.00177 -0.01289 0.03646 29 5PX 0.00204 -0.00198 -0.00169 -0.00532 -0.03084 30 5PY -0.00211 0.00309 -0.00189 -0.01957 -0.04003 31 5PZ -0.00086 -0.00034 0.00205 0.02070 0.03906 32 6PX 0.00365 -0.00328 -0.00209 0.00820 -0.01824 33 6PY -0.00094 0.00854 -0.00156 0.01055 -0.01475 34 6PZ -0.00178 0.00290 0.00147 -0.01239 0.01185 35 7D 0 0.00216 -0.00103 -0.00067 -0.01118 -0.02867 36 7D+1 0.00213 0.00188 -0.00029 0.00181 0.02999 37 7D-1 -0.00458 0.00224 0.00078 -0.00463 -0.09234 38 7D+2 -0.00151 0.00022 0.00093 0.01899 0.06421 39 7D-2 0.00163 -0.00146 0.00022 -0.00090 -0.03635 40 8D 0 0.00049 -0.00016 -0.00027 -0.00342 -0.00926 41 8D+1 0.00070 0.00011 -0.00023 -0.00168 0.00865 42 8D-1 -0.00145 0.00093 0.00007 -0.00123 -0.03125 43 8D+2 -0.00030 0.00015 0.00043 0.00561 0.02119 44 8D-2 0.00070 -0.00010 0.00015 0.00204 -0.01098 45 3 Cu 1S 0.00105 -0.00018 -0.00129 -0.00454 -0.00223 46 2S 0.01135 -0.00172 -0.00453 0.03169 -0.02491 47 3S 0.04524 0.01858 -0.00221 -0.02514 -0.04264 48 4PX -0.00155 -0.00105 -0.00151 -0.01763 -0.00919 49 4PY -0.00153 0.00307 0.00023 -0.00071 0.00904 50 4PZ -0.00157 -0.00045 0.00050 0.00447 0.00745 51 5PX 0.01946 0.00205 -0.00184 0.02618 -0.01565 52 5PY 0.00178 -0.01267 0.00041 0.01000 0.00253 53 5PZ 0.01162 0.00132 0.00093 -0.00813 0.00417 54 6PX -0.00443 -0.00862 -0.00019 -0.00708 -0.00647 55 6PY -0.00910 -0.01024 -0.00056 0.00634 0.00005 56 6PZ -0.00094 -0.00058 0.00047 0.00207 0.01341 57 7D 0 -0.00066 0.00124 0.00054 0.00827 0.02101 58 7D+1 -0.00212 -0.00121 -0.00165 -0.03338 -0.14035 59 7D-1 -0.00169 0.00186 -0.00039 -0.00715 -0.01477 60 7D+2 -0.00366 -0.00042 -0.00009 0.00658 0.07561 61 7D-2 -0.00430 0.00454 0.00214 0.01268 0.01173 62 8D 0 0.00006 0.00077 0.00024 0.00219 0.00799 63 8D+1 -0.00004 -0.00010 -0.00061 -0.01100 -0.04707 64 8D-1 -0.00028 -0.00014 -0.00013 -0.00209 -0.00553 65 8D+2 -0.00100 0.00042 0.00002 0.00182 0.02533 66 8D-2 -0.00152 0.00036 0.00074 0.00440 0.00344 67 4 Cu 1S -0.00044 -0.00014 -0.00210 -0.00354 -0.00204 68 2S -0.00947 0.00482 -0.00511 0.04497 -0.01644 69 3S -0.03659 0.01844 -0.00231 -0.03473 -0.04872 70 4PX 0.00178 0.00207 -0.00032 -0.00838 -0.00603 71 4PY 0.00296 -0.00229 -0.00091 -0.01549 -0.00377 72 4PZ 0.00072 -0.00082 0.00097 0.01595 0.00559 73 5PX -0.00655 -0.01301 -0.00059 0.02672 0.01372 74 5PY -0.02830 0.01831 -0.00247 0.01933 -0.02641 75 5PZ -0.00117 0.00386 0.00262 -0.01909 0.02480 76 6PX 0.00549 -0.01741 -0.00042 -0.00986 -0.00313 77 6PY 0.00813 -0.00171 -0.00073 0.00137 -0.00645 78 6PZ 0.00058 0.00894 0.00012 0.00900 0.00396 79 7D 0 -0.00143 0.00096 -0.00059 0.00233 0.00886 80 7D+1 -0.00007 0.00042 -0.00053 -0.00107 -0.04279 81 7D-1 0.00341 -0.00087 -0.00028 -0.03965 -0.08360 82 7D+2 -0.00029 0.00263 0.00114 -0.00040 -0.01616 83 7D-2 0.00571 0.00036 0.00064 0.00294 0.04015 84 8D 0 -0.00035 0.00028 -0.00024 0.00044 0.00296 85 8D+1 -0.00065 -0.00012 -0.00022 0.00068 -0.01492 86 8D-1 0.00074 0.00028 0.00014 -0.01352 -0.02876 87 8D+2 0.00015 -0.00016 0.00050 -0.00051 -0.00566 88 8D-2 0.00075 -0.00066 0.00026 -0.00040 0.01394 89 5 Cu 1S 0.00013 0.00034 -0.00110 -0.00361 -0.00237 90 2S 0.00375 0.00034 -0.00305 0.08744 -0.01609 91 3S 0.00463 0.02338 -0.00268 0.04086 -0.06033 92 4PX -0.00001 -0.00010 0.00073 0.00353 -0.00752 93 4PY 0.00025 -0.00021 -0.00104 -0.01111 -0.02229 94 4PZ -0.00020 0.00029 -0.00044 -0.00522 -0.01519 95 5PX 0.00127 -0.00100 0.00009 -0.00143 0.00501 96 5PY -0.00051 0.00287 -0.00106 0.01893 -0.01513 97 5PZ -0.00014 0.00451 -0.00022 0.00643 -0.00046 98 6PX -0.00309 0.00592 0.00053 0.00361 0.00500 99 6PY -0.00290 0.00415 -0.00009 -0.00689 -0.01482 100 6PZ 0.00259 0.00371 -0.00066 0.00646 -0.00516 101 7D 0 0.00092 0.00080 -0.00136 -0.02211 -0.07277 102 7D+1 0.00155 0.00052 0.00071 0.00091 -0.00627 103 7D-1 0.00320 -0.00055 -0.00065 -0.00304 0.07802 104 7D+2 -0.00053 0.00040 -0.00227 -0.03413 -0.12687 105 7D-2 -0.00022 0.00129 0.00084 0.00320 0.02117 106 8D 0 0.00036 0.00065 -0.00060 -0.00769 -0.02433 107 8D+1 0.00076 0.00022 0.00026 -0.00022 -0.00211 108 8D-1 0.00148 -0.00021 -0.00012 -0.00010 0.02683 109 8D+2 -0.00024 -0.00001 -0.00108 -0.01167 -0.04283 110 8D-2 -0.00021 0.00055 0.00020 -0.00016 0.00690 111 6 Cu 1S 0.00016 -0.00053 -0.00128 -0.00449 -0.00138 112 2S -0.00095 -0.00358 -0.00423 0.03451 -0.01755 113 3S 0.00213 -0.01831 -0.00116 -0.02593 -0.04717 114 4PX -0.00061 -0.00047 -0.00166 -0.01735 -0.00807 115 4PY 0.00013 -0.00011 -0.00048 -0.00410 -0.00826 116 4PZ 0.00053 0.00033 -0.00047 -0.00030 -0.00946 117 5PX 0.00239 -0.00230 -0.00136 0.02478 -0.01685 118 5PY 0.00059 -0.00143 -0.00069 0.00774 -0.00395 119 5PZ -0.00010 -0.00509 -0.00019 -0.00884 -0.00296 120 6PX 0.00057 0.00464 -0.00047 -0.00422 -0.01300 121 6PY 0.00089 -0.00432 -0.00062 -0.00358 -0.01471 122 6PZ 0.00041 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0.00023 0.00451 142 6PX 0.00372 -0.00118 0.00046 0.01273 0.01681 143 6PY -0.00749 -0.00013 0.00032 0.00639 0.01251 144 6PZ 0.00252 -0.00403 0.00001 -0.00922 -0.00919 145 7D 0 0.00125 0.00219 0.00083 0.00217 0.02686 146 7D+1 0.00053 -0.00120 0.00182 0.00962 0.06861 147 7D-1 -0.00124 -0.00029 0.00043 -0.00441 0.03084 148 7D+2 0.00070 -0.00252 -0.00138 -0.00417 -0.02785 149 7D-2 0.00057 -0.00401 -0.00189 -0.00917 -0.06118 150 8D 0 0.00053 0.00115 0.00031 0.00105 0.00941 151 8D+1 0.00024 -0.00059 0.00059 0.00446 0.02410 152 8D-1 -0.00055 -0.00010 0.00015 -0.00008 0.01207 153 8D+2 0.00013 -0.00116 -0.00052 -0.00166 -0.00987 154 8D-2 0.00028 -0.00209 -0.00062 -0.00464 -0.02161 155 8 C 1S -0.00110 0.00003 -0.00034 0.00682 -0.00464 156 2S 0.00299 -0.00064 0.00165 -0.01412 0.01487 157 3S 0.00461 0.00551 0.00196 -0.02191 0.01179 158 4PX -0.00124 0.00104 -0.00027 0.01812 -0.01423 159 4PY 0.00281 0.00010 0.00058 -0.01595 0.02804 160 4PZ -0.00348 0.00194 -0.00033 0.00370 -0.00444 161 5PX 0.00267 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0.00341 135 3S -0.00546 -0.00194 0.00122 -0.01071 -0.00355 136 4PX -0.00048 -0.00035 0.00028 -0.00203 -0.00152 137 4PY -0.00061 0.00051 0.00085 0.00050 -0.00073 138 4PZ 0.00054 0.00091 0.00055 -0.00036 -0.00182 139 5PX -0.00116 -0.00006 -0.00022 0.00355 0.00105 140 5PY -0.00017 -0.00189 -0.00160 0.00003 0.00660 141 5PZ 0.00033 -0.00158 -0.00202 -0.00011 0.00359 142 6PX -0.00308 -0.00005 0.00004 -0.00529 -0.00448 143 6PY -0.00005 -0.00206 0.00081 -0.00019 -0.00259 144 6PZ -0.00004 0.00117 -0.00148 -0.00007 -0.00063 145 7D 0 -0.00028 -0.00211 -0.00167 -0.00569 0.00105 146 7D+1 -0.00101 0.00100 0.00158 -0.00995 -0.01440 147 7D-1 -0.00194 0.00035 -0.00021 0.00095 -0.00255 148 7D+2 0.00067 -0.00091 -0.00157 0.00728 0.00984 149 7D-2 0.00093 0.00179 0.00082 0.00981 0.00384 150 8D 0 -0.00012 -0.00065 -0.00067 -0.00205 0.00025 151 8D+1 -0.00020 0.00066 0.00045 -0.00346 -0.00516 152 8D-1 -0.00044 0.00007 -0.00003 -0.00009 -0.00097 153 8D+2 0.00027 -0.00045 -0.00045 0.00266 0.00331 154 8D-2 0.00021 0.00060 0.00060 0.00338 0.00165 155 8 C 1S 0.00076 0.00034 -0.00026 -0.00118 0.00006 156 2S -0.00226 -0.00089 0.00086 0.00221 -0.00196 157 3S -0.00001 0.00020 -0.00093 0.00515 -0.00212 158 4PX -0.00114 0.00016 -0.00032 0.00435 0.00280 159 4PY -0.00205 -0.00160 -0.00072 0.00304 -0.00264 160 4PZ 0.00104 -0.00254 -0.00226 -0.00170 0.00666 161 5PX -0.00110 -0.00223 0.00248 0.00197 0.00089 162 5PY 0.00033 -0.00030 -0.00101 0.00177 0.00394 163 5PZ -0.00034 -0.00052 -0.00099 -0.00125 0.00139 164 9 O 1S -0.00012 -0.00008 0.00016 0.00009 0.00196 165 2S 0.00043 0.00018 -0.00041 -0.00041 -0.00382 166 3S 0.00009 0.00037 -0.00081 0.00009 -0.00332 167 4PX 0.00146 0.00020 0.00001 -0.00478 -0.00308 168 4PY 0.00124 0.00144 0.00056 -0.00192 0.00143 169 4PZ -0.00045 0.00299 0.00242 0.00175 -0.01114 170 5PX 0.00100 0.00098 -0.00092 -0.00313 -0.00175 171 5PY 0.00031 0.00050 0.00049 -0.00095 -0.00130 172 5PZ -0.00011 0.00177 0.00147 0.00113 -0.00555 31 32 33 34 35 31 5PZ 0.03235 32 6PX -0.00157 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0.01696 0.00561 0.00874 -0.05563 114 4PX 0.00237 0.00055 -0.00277 -0.00405 0.00622 115 4PY -0.00190 -0.00404 0.00546 -0.00078 0.00720 116 4PZ -0.00143 0.00155 0.00176 0.00418 0.00362 117 5PX -0.00144 0.01001 0.00596 0.00181 -0.02608 118 5PY 0.00495 0.00246 0.00290 0.00252 -0.02248 119 5PZ 0.00246 0.00174 0.00117 0.00292 -0.02664 120 6PX -0.00071 0.00310 -0.00274 0.00191 0.00212 121 6PY 0.00077 0.00236 0.00355 0.00509 -0.01829 122 6PZ 0.00291 -0.00285 -0.00025 -0.00307 0.01012 123 7D 0 -0.00752 0.02055 -0.00807 0.00662 -0.01139 124 7D+1 0.01509 0.00357 0.00849 -0.01093 0.00834 125 7D-1 0.01111 0.00077 0.01353 0.00004 0.00844 126 7D+2 0.00174 -0.00600 0.01452 0.01576 -0.00016 127 7D-2 -0.01110 -0.00136 -0.01082 0.01606 0.00679 128 8D 0 -0.00270 0.00712 -0.00272 0.00210 -0.00395 129 8D+1 0.00493 0.00147 0.00315 -0.00317 -0.00003 130 8D-1 0.00328 0.00068 0.00454 0.00019 0.00109 131 8D+2 0.00032 -0.00196 0.00507 0.00521 -0.00024 132 8D-2 -0.00370 -0.00049 -0.00374 0.00528 0.00227 133 7 Cu 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65 8D+2 -0.00141 -0.00014 0.00021 -0.00055 0.08126 66 8D-2 0.24315 -0.00039 0.00085 -0.00090 -0.00054 67 4 Cu 1S 0.00001 0.00029 0.00019 -0.00025 -0.00003 68 2S -0.03454 -0.00552 0.00343 -0.00503 -0.00349 69 3S -0.12340 -0.02321 0.00901 -0.01103 -0.01487 70 4PX -0.00780 -0.00077 -0.00004 -0.00138 -0.00199 71 4PY 0.01228 0.00107 -0.00122 0.00100 0.00006 72 4PZ -0.00131 -0.00148 -0.00061 0.00101 -0.00024 73 5PX 0.05187 0.00985 -0.00358 0.00935 0.00022 74 5PY -0.07478 -0.01643 0.01027 -0.00756 -0.01229 75 5PZ 0.02066 0.01558 -0.00332 -0.00016 0.00149 76 6PX -0.01098 -0.00133 0.00145 -0.00053 0.00718 77 6PY 0.00598 0.00365 0.00175 -0.00276 0.00680 78 6PZ 0.00095 0.00021 -0.00281 0.00372 0.00259 79 7D 0 -0.00230 -0.00336 0.00163 -0.00261 -0.00047 80 7D+1 0.00080 -0.00095 -0.00026 -0.00424 0.00096 81 7D-1 -0.00274 0.00121 -0.00530 0.00237 0.00107 82 7D+2 -0.00865 0.00072 0.00073 0.00106 0.00381 83 7D-2 -0.00928 0.00073 -0.00020 -0.00027 -0.00196 84 8D 0 0.00006 -0.00096 0.00030 -0.00051 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5PX -0.00130 0.00091 0.00070 -0.01104 -0.00693 162 5PY 0.00207 -0.00166 0.00014 -0.00545 0.00040 163 5PZ -0.00202 -0.00169 0.00007 0.00522 0.00133 164 9 O 1S -0.00002 0.00021 -0.00014 -0.00012 0.00661 165 2S 0.00013 -0.00044 0.00030 0.00085 -0.01345 166 3S 0.00007 -0.00146 0.00011 -0.00246 -0.02950 167 4PX 0.00053 0.00008 0.00054 0.03001 -0.00568 168 4PY -0.00039 -0.00076 0.00006 0.00378 0.03869 169 4PZ -0.00072 -0.00040 0.00007 -0.00284 -0.02321 170 5PX 0.00055 -0.00019 -0.00015 0.01874 0.00142 171 5PY -0.00050 0.00006 -0.00022 0.00163 0.00685 172 5PZ -0.00002 0.00035 0.00008 -0.00267 -0.00630 136 137 138 139 140 136 4PX 0.99565 137 4PY 0.00044 0.99605 138 4PZ -0.00041 -0.00022 0.99599 139 5PX 0.02432 0.00132 -0.00145 0.01804 140 5PY 0.00203 0.01793 0.00012 0.00565 0.01405 141 5PZ -0.00199 0.00036 0.01818 -0.00508 -0.00292 142 6PX -0.00141 0.00289 -0.00285 0.00146 0.00095 143 6PY 0.00408 -0.00686 -0.00169 0.00076 0.00155 144 6PZ -0.00450 -0.00241 -0.00779 -0.00080 0.00019 145 7D 0 0.00062 0.00048 0.00213 0.02093 0.01434 146 7D+1 -0.00040 0.00019 0.00052 0.01130 0.00311 147 7D-1 -0.00022 0.00059 -0.00057 0.00146 0.00898 148 7D+2 -0.00097 0.00193 -0.00081 -0.03724 0.02000 149 7D-2 0.00004 0.00072 0.00007 -0.01225 -0.03341 150 8D 0 -0.00017 0.00005 0.00065 0.00673 0.00465 151 8D+1 -0.00055 0.00035 0.00061 0.00334 0.00083 152 8D-1 -0.00007 0.00009 0.00003 0.00029 0.00256 153 8D+2 0.00037 0.00062 -0.00040 -0.01198 0.00669 154 8D-2 0.00040 0.00059 0.00030 -0.00360 -0.01055 155 8 C 1S 0.00038 -0.00074 0.00078 -0.00511 0.00068 156 2S -0.00101 0.00101 -0.00134 0.00951 -0.00123 157 3S 0.00339 0.00458 -0.00438 0.01062 -0.00507 158 4PX 0.00087 0.00022 -0.00021 -0.00217 -0.00083 159 4PY -0.00080 0.00132 -0.00244 0.00111 -0.00348 160 4PZ 0.00022 -0.00177 -0.00007 0.00034 0.00441 161 5PX 0.00432 -0.00189 0.00178 -0.00005 -0.00040 162 5PY 0.00026 0.00016 -0.00013 0.00046 0.00045 163 5PZ 0.00068 -0.00087 0.00002 0.00031 0.00192 164 9 O 1S -0.00014 0.00016 -0.00012 0.00155 -0.00035 165 2S 0.00037 -0.00015 0.00011 -0.00321 0.00101 166 3S -0.00007 -0.00134 0.00107 -0.00702 0.00034 167 4PX 0.00059 -0.00136 0.00125 -0.00995 -0.00144 168 4PY 0.00086 -0.00091 0.00172 0.00525 0.00305 169 4PZ -0.00039 0.00116 0.00049 -0.00071 -0.00409 170 5PX -0.00166 0.00055 -0.00042 -0.00440 -0.00032 171 5PY -0.00085 -0.00011 0.00103 0.00037 0.00016 172 5PZ -0.00033 0.00097 0.00037 0.00030 -0.00215 141 142 143 144 145 141 5PZ 0.01331 142 6PX -0.00114 0.00954 143 6PY 0.00015 -0.00083 0.00775 144 6PZ 0.00113 0.00029 -0.00152 0.00629 145 7D 0 0.02286 0.01412 0.00150 0.00428 0.74329 146 7D+1 -0.03344 0.02607 -0.00437 -0.02790 0.00384 147 7D-1 -0.01173 0.00832 0.00815 -0.01047 0.00234 148 7D+2 0.00250 -0.02427 0.00568 0.00324 0.00232 149 7D-2 0.00302 -0.02647 -0.03164 -0.00410 0.00338 150 8D 0 0.00758 0.00482 0.00058 0.00136 0.24658 151 8D+1 -0.01066 0.00902 -0.00133 -0.00945 0.00089 152 8D-1 -0.00350 0.00298 0.00285 -0.00365 0.00046 153 8D+2 0.00071 -0.00827 0.00184 0.00115 0.00063 154 8D-2 0.00073 -0.00921 -0.01071 -0.00119 0.00019 155 8 C 1S -0.00138 -0.00418 0.00031 0.00060 -0.00217 156 2S 0.00267 0.00993 -0.00287 0.00060 0.00604 157 3S 0.00628 0.00279 0.00162 -0.00236 0.00749 158 4PX 0.00017 0.00127 -0.00324 0.00204 0.00553 159 4PY 0.00852 -0.00994 0.00881 -0.00724 0.00778 160 4PZ -0.00068 0.00385 -0.00836 -0.00006 0.00080 161 5PX 0.00018 -0.00017 -0.00003 -0.00040 0.00302 162 5PY 0.00175 -0.00007 0.00009 -0.00050 -0.01184 163 5PZ 0.00128 0.00055 -0.00096 0.00052 0.00345 164 9 O 1S 0.00021 0.00369 -0.00558 0.00138 0.00050 165 2S -0.00085 -0.00735 0.01070 -0.00244 -0.00036 166 3S 0.00109 -0.01402 0.01508 -0.00486 -0.00737 167 4PX 0.00048 -0.00390 -0.00375 0.00613 -0.00695 168 4PY -0.00734 0.01918 -0.02117 0.00584 -0.00595 169 4PZ -0.00020 -0.00923 0.00088 -0.01043 -0.00369 170 5PX -0.00010 -0.00107 -0.00197 0.00298 -0.00397 171 5PY -0.00217 0.00406 -0.00568 0.00094 -0.00341 172 5PZ -0.00141 -0.00232 -0.00056 -0.00386 -0.00257 146 147 148 149 150 146 7D+1 0.75341 147 7D-1 -0.00334 0.75227 148 7D+2 0.00071 -0.00363 0.74088 149 7D-2 0.00105 0.00253 0.00150 0.75287 150 8D 0 0.00082 0.00053 0.00069 -0.00002 0.08184 151 8D+1 0.24996 -0.00063 -0.00029 -0.00011 0.00017 152 8D-1 -0.00027 0.24997 -0.00076 0.00002 0.00008 153 8D+2 -0.00052 -0.00092 0.24606 0.00060 0.00018 154 8D-2 -0.00019 0.00041 0.00056 0.24981 -0.00033 155 8 C 1S 0.00294 0.00120 0.00384 -0.00273 -0.00071 156 2S -0.00742 0.00024 -0.01015 0.00558 0.00207 157 3S -0.01806 -0.01615 -0.01070 0.02990 0.00262 158 4PX -0.00103 -0.00144 -0.00996 -0.00008 0.00208 159 4PY -0.00770 -0.00222 -0.01056 0.00618 0.00274 160 4PZ 0.00125 0.00036 0.00501 -0.00168 0.00006 161 5PX -0.00597 0.01151 -0.00270 0.00604 0.00105 162 5PY -0.00696 -0.00305 0.01147 -0.00167 -0.00392 163 5PZ -0.00638 0.00119 -0.01091 -0.00648 0.00110 164 9 O 1S -0.00055 -0.00043 -0.00120 0.00040 0.00017 165 2S 0.00187 0.00073 0.00201 -0.00084 -0.00017 166 3S 0.00156 0.00376 0.01146 -0.00444 -0.00246 167 4PX 0.00555 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0.00032 0.00144 0.00403 -0.00119 0.00912 167 4PX 0.00127 -0.00015 0.00326 -0.00133 0.00532 168 4PY 0.00089 0.00089 0.00264 -0.00079 -0.05183 169 4PZ -0.00011 0.00007 -0.00064 -0.00069 0.02050 170 5PX 0.00158 -0.00133 0.00182 -0.00151 -0.00054 171 5PY 0.00082 0.00044 0.00060 -0.00126 -0.00843 172 5PZ 0.00063 0.00013 0.00050 0.00018 0.00144 156 157 158 159 160 156 2S 0.24754 157 3S 0.19359 0.21240 158 4PX -0.00821 -0.02646 0.17455 159 4PY 0.02620 0.12213 -0.02488 0.29619 160 4PZ -0.01792 -0.06702 0.01319 -0.06632 0.20446 161 5PX -0.00563 -0.00639 0.03017 0.00285 -0.00177 162 5PY 0.04245 0.03401 0.00238 0.00187 0.01050 163 5PZ -0.01852 -0.01734 -0.00166 0.01126 0.02563 164 9 O 1S -0.00636 0.02136 -0.00506 0.03190 -0.01504 165 2S 0.00717 -0.04857 0.01227 -0.07846 0.03678 166 3S -0.04528 -0.05463 -0.00053 0.01101 -0.00366 167 4PX -0.01314 -0.00463 0.22654 0.06401 -0.02869 168 4PY 0.13263 0.00818 0.06290 -0.19090 0.19487 169 4PZ -0.05187 -0.00791 -0.02841 0.19635 0.14678 170 5PX 0.00055 0.00010 0.08504 0.01885 -0.00811 171 5PY 0.02089 0.00183 0.01576 -0.01677 0.04812 172 5PZ -0.00465 -0.00017 -0.00733 0.05239 0.06418 161 162 163 164 165 161 5PX 0.00789 162 5PY -0.00104 0.01213 163 5PZ 0.00020 -0.00256 0.00878 164 9 O 1S -0.00026 -0.00324 0.00042 1.05919 165 2S 0.00113 0.00146 0.00128 -0.12916 0.30093 166 3S 0.00253 -0.00890 0.00580 -0.12436 0.26174 167 4PX 0.03387 -0.00296 0.00102 -0.00202 0.00256 168 4PY 0.00031 0.03443 0.00008 0.01796 -0.03230 169 4PZ 0.00017 -0.00439 0.03488 -0.00735 0.01178 170 5PX 0.01103 -0.00022 0.00016 -0.00194 0.00431 171 5PY 0.00088 0.00572 0.00248 0.01568 -0.03792 172 5PZ -0.00013 0.00099 0.01050 -0.00665 0.01558 166 167 168 169 170 166 3S 0.26960 167 4PX 0.02003 0.41714 168 4PY -0.14327 -0.00412 0.41880 169 4PZ 0.06381 0.00131 -0.00613 0.42016 170 5PX 0.00755 0.16436 0.00695 -0.00342 0.06618 171 5PY -0.05221 0.01076 0.09370 0.03292 0.00546 172 5PZ 0.02361 -0.00440 0.02782 0.15245 -0.00241 171 172 171 5PY 0.02807 172 5PZ 0.01732 0.05920 Full Mulliken population analysis: 1 2 3 4 5 1 1 Cu 1S 2.01152 2 2S -0.00447 0.38428 3 3S 0.00201 0.15676 0.36238 4 4PX 0.00000 0.00000 0.00000 1.99211 5 4PY 0.00000 0.00000 0.00000 0.00000 1.99105 6 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 7 5PX 0.00000 0.00000 0.00000 0.00509 0.00000 8 5PY 0.00000 0.00000 0.00000 0.00000 0.00601 9 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 6PX 0.00000 0.00000 0.00000 -0.00039 0.00000 11 6PY 0.00000 0.00000 0.00000 0.00000 -0.00028 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 -0.00032 -0.00037 0.00000 0.00000 24 2S -0.00037 0.03938 0.01780 -0.00002 -0.00010 25 3S -0.00049 -0.02589 -0.09286 0.00003 -0.00018 26 4PX 0.00000 -0.00001 -0.00002 0.00000 0.00000 27 4PY 0.00000 -0.00013 -0.00001 0.00000 0.00000 28 4PZ 0.00000 -0.00142 -0.00062 0.00000 0.00000 29 5PX 0.00002 0.00104 0.00099 -0.00008 -0.00001 30 5PY 0.00004 0.00573 0.00176 -0.00002 -0.00014 31 5PZ -0.00028 0.03622 0.00240 -0.00004 -0.00022 32 6PX -0.00002 0.00039 -0.00055 0.00023 0.00000 33 6PY -0.00006 0.00189 -0.00121 0.00000 0.00006 34 6PZ -0.00026 -0.01018 -0.02420 0.00000 0.00001 35 7D 0 0.00000 0.00022 0.00052 0.00000 0.00000 36 7D+1 0.00000 0.00008 0.00004 0.00000 0.00000 37 7D-1 0.00000 0.00029 0.00029 0.00000 0.00000 38 7D+2 0.00000 0.00001 0.00001 0.00000 0.00000 39 7D-2 0.00000 0.00001 0.00001 0.00000 0.00000 40 8D 0 0.00001 0.00076 0.00253 -0.00001 -0.00007 41 8D+1 0.00001 0.00027 0.00019 -0.00005 0.00000 42 8D-1 0.00003 0.00113 0.00143 0.00000 -0.00001 43 8D+2 0.00000 0.00004 0.00004 0.00000 0.00000 44 8D-2 0.00000 0.00005 0.00004 -0.00001 0.00000 45 3 Cu 1S 0.00000 -0.00032 -0.00037 0.00000 0.00000 46 2S -0.00037 0.03902 0.01737 -0.00060 -0.00004 47 3S -0.00050 -0.02600 -0.09295 -0.00103 -0.00006 48 4PX 0.00000 -0.00130 -0.00050 0.00000 0.00000 49 4PY 0.00000 -0.00004 0.00000 0.00000 0.00000 50 4PZ 0.00000 -0.00022 -0.00016 0.00000 0.00000 51 5PX -0.00029 0.03210 -0.00011 -0.00008 -0.00009 52 5PY 0.00003 0.00256 0.00123 0.00006 -0.00015 53 5PZ 0.00002 0.00814 0.00407 -0.00007 -0.00003 54 6PX -0.00020 -0.00896 -0.01986 0.00004 0.00001 55 6PY -0.00003 0.00135 -0.00027 0.00000 0.00008 56 6PZ -0.00010 -0.00013 -0.00528 0.00002 0.00000 57 7D 0 0.00000 0.00000 0.00006 0.00000 0.00000 58 7D+1 0.00000 0.00037 0.00035 0.00000 0.00000 59 7D-1 0.00000 0.00003 0.00003 0.00000 0.00000 60 7D+2 0.00000 0.00006 0.00031 0.00000 0.00000 61 7D-2 0.00000 0.00014 0.00011 0.00000 0.00000 62 8D 0 0.00000 0.00007 0.00032 0.00001 0.00000 63 8D+1 0.00003 0.00136 0.00172 -0.00008 -0.00001 64 8D-1 0.00000 0.00016 0.00015 -0.00001 -0.00001 65 8D+2 0.00000 0.00013 0.00151 -0.00001 -0.00002 66 8D-2 0.00001 0.00052 0.00053 -0.00002 -0.00004 67 4 Cu 1S 0.00000 -0.00013 -0.00081 0.00000 0.00000 68 2S -0.00018 0.02711 0.03002 -0.00004 -0.00036 69 3S -0.00072 -0.01548 -0.08908 -0.00011 -0.00158 70 4PX 0.00000 -0.00010 -0.00008 0.00000 0.00000 71 4PY 0.00000 -0.00128 -0.00051 0.00000 0.00000 72 4PZ 0.00000 -0.00004 -0.00006 0.00000 0.00000 73 5PX -0.00004 0.00400 0.00029 -0.00010 -0.00005 74 5PY -0.00034 0.04588 -0.01177 -0.00022 0.00018 75 5PZ -0.00003 0.00197 0.00087 -0.00002 -0.00003 76 6PX 0.00002 -0.00102 -0.00211 -0.00006 0.00001 77 6PY 0.00008 -0.00764 -0.01725 0.00001 0.00000 78 6PZ 0.00002 -0.00076 -0.00144 0.00000 0.00003 79 7D 0 0.00000 0.00000 0.00003 0.00000 0.00000 80 7D+1 0.00000 0.00003 0.00003 0.00000 0.00000 81 7D-1 0.00000 0.00009 0.00011 0.00000 0.00000 82 7D+2 0.00000 0.00006 0.00014 0.00000 0.00000 83 7D-2 0.00000 0.00011 0.00015 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0.14889 0.00000 155 8 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 156 2S 0.00000 0.00000 0.00000 0.00000 0.00000 157 3S -0.00002 0.00000 -0.00001 -0.00003 -0.00004 158 4PX 0.00000 0.00000 0.00000 0.00000 0.00001 159 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 160 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 161 5PX 0.00004 0.00004 0.00001 0.00004 0.00005 162 5PY -0.00002 0.00000 0.00006 0.00000 0.00009 163 5PZ 0.00000 0.00000 0.00003 -0.00002 0.00005 164 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2S 0.00000 0.00000 0.00000 0.00000 0.00000 166 3S 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 169 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 170 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 171 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 172 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 151 152 153 154 155 151 8D+1 0.16643 152 8D-1 0.00000 0.16703 153 8D+2 0.00000 0.00000 0.16388 154 8D-2 0.00000 0.00000 0.00000 0.16637 155 8 C 1S 0.00000 0.00000 0.00000 0.00000 2.09432 156 2S -0.00001 0.00000 -0.00001 -0.00001 -0.04970 157 3S -0.00018 0.00005 -0.00008 -0.00033 -0.03752 158 4PX 0.00001 0.00000 0.00003 0.00000 0.00000 159 4PY -0.00001 0.00000 -0.00002 0.00000 0.00000 160 4PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 161 5PX 0.00022 0.00024 0.00005 0.00023 0.00000 162 5PY -0.00013 0.00000 0.00035 0.00000 0.00000 163 5PZ -0.00002 0.00000 0.00017 -0.00012 0.00000 164 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 165 2S 0.00000 0.00000 0.00000 0.00000 -0.00027 166 3S 0.00000 0.00000 0.00000 0.00000 0.00148 167 4PX 0.00000 0.00000 0.00000 0.00000 -0.00009 168 4PY 0.00000 0.00000 0.00000 0.00000 -0.00431 169 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00088 170 5PX -0.00001 -0.00001 0.00000 -0.00001 -0.00004 171 5PY 0.00000 0.00000 0.00000 0.00001 -0.00204 172 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00040 156 157 158 159 160 156 2S 0.50980 157 3S 0.32519 0.45620 158 4PX 0.00000 0.00000 0.35852 159 4PY 0.00000 0.00000 0.00000 0.62873 160 4PZ 0.00000 0.00000 0.00000 0.00000 0.41208 161 5PX 0.00000 0.00000 0.03481 0.00000 0.00000 162 5PY 0.00000 0.00000 0.00000 0.00613 0.00000 163 5PZ 0.00000 0.00000 0.00000 0.00000 0.02956 164 9 O 1S -0.00034 0.00250 -0.00008 -0.00415 -0.00083 165 2S 0.00243 -0.03136 0.00102 0.05354 0.01056 166 3S -0.03787 -0.06606 -0.00026 -0.00637 -0.00191 167 4PX 0.00124 0.00056 0.06858 0.00611 0.00148 168 4PY 0.06284 -0.00070 0.00614 0.09042 0.06519 169 4PZ 0.01255 0.00229 0.00148 0.06508 0.02447 170 5PX 0.00046 0.00075 0.06188 0.00169 0.00055 171 5PY 0.01905 -0.00371 0.00159 0.00272 0.01805 172 5PZ 0.00418 0.00275 0.00054 0.01852 0.03671 161 162 163 164 165 161 5PX 0.01832 162 5PY 0.00000 0.02596 163 5PZ 0.00000 0.00000 0.02106 164 9 O 1S 0.00000 0.00046 0.00005 2.11849 165 2S 0.00005 -0.00085 0.00018 -0.07062 0.60316 166 3S 0.00025 0.01058 0.00234 -0.04563 0.41469 167 4PX 0.01138 -0.00020 0.00003 0.00000 0.00000 168 4PY -0.00013 0.00215 -0.00050 0.00000 0.00000 169 4PZ 0.00003 -0.00082 0.00997 0.00000 0.00000 170 5PX 0.01169 -0.00016 0.00007 0.00000 0.00000 171 5PY -0.00008 0.00210 0.00020 0.00000 0.00000 172 5PZ 0.00008 -0.00013 0.00951 0.00000 0.00000 166 167 168 169 170 166 3S 0.54072 167 4PX 0.00000 0.83962 168 4PY 0.00000 0.00000 0.85289 169 4PZ 0.00000 0.00000 0.00000 0.84483 170 5PX 0.00000 0.16770 0.00000 0.00000 0.13416 171 5PY 0.00000 0.00000 0.09800 0.00000 0.00000 172 5PZ 0.00000 0.00000 0.00000 0.15560 0.00000 171 172 171 5PY 0.05913 172 5PZ 0.00000 0.12055 Gross orbital populations: TOTAL ALPHA BETA SPIN 1 1 Cu 1S 2.00551 1.00275 1.00276 -0.00001 2 2S 0.71311 0.37370 0.33941 0.03429 3 3S 0.33976 0.17749 0.16227 0.01521 4 4PX 1.99472 0.99735 0.99736 -0.00001 5 4PY 1.99442 0.99722 0.99720 0.00003 6 4PZ 1.99471 0.99735 0.99735 0.00000 7 5PX 0.06127 0.03266 0.02861 0.00405 8 5PY 0.05150 0.02926 0.02224 0.00702 9 5PZ 0.06810 0.03931 0.02879 0.01051 10 6PX 0.01003 0.00443 0.00560 -0.00117 11 6PY -0.00937 -0.00828 -0.00109 -0.00719 12 6PZ 0.00436 -0.00011 0.00446 -0.00457 13 7D 0 1.63547 0.81811 0.81736 0.00075 14 7D+1 1.65240 0.82710 0.82530 0.00179 15 7D-1 1.65760 0.82862 0.82898 -0.00036 16 7D+2 1.64117 0.82049 0.82067 -0.00018 17 7D-2 1.65626 0.82792 0.82834 -0.00042 18 8D 0 0.32589 0.16315 0.16275 0.00040 19 8D+1 0.32539 0.16273 0.16266 0.00008 20 8D-1 0.32325 0.16188 0.16137 0.00051 21 8D+2 0.32425 0.16234 0.16191 0.00043 22 8D-2 0.32286 0.16165 0.16121 0.00044 23 2 Cu 1S 2.00465 1.00233 1.00233 0.00000 24 2S 0.62711 0.32926 0.29784 0.03142 25 3S 0.02588 0.02350 0.00238 0.02112 26 4PX 1.99485 0.99752 0.99734 0.00018 27 4PY 1.99488 0.99745 0.99743 0.00002 28 4PZ 1.99491 0.99749 0.99741 0.00008 29 5PX 0.13046 0.08753 0.04294 0.04459 30 5PY 0.15768 0.08710 0.07058 0.01652 31 5PZ 0.16044 0.09610 0.06435 0.03175 32 6PX 0.00877 0.00241 0.00636 -0.00396 33 6PY 0.02435 0.01881 0.00554 0.01327 34 6PZ -0.00061 -0.00195 0.00133 -0.00328 35 7D 0 1.65231 0.82640 0.82590 0.00050 36 7D+1 1.64921 0.82358 0.82563 -0.00205 37 7D-1 1.62950 0.81513 0.81437 0.00075 38 7D+2 1.65053 0.82830 0.82224 0.00606 39 7D-2 1.64822 0.82311 0.82511 -0.00200 40 8D 0 0.31802 0.15934 0.15867 0.00067 41 8D+1 0.31975 0.16035 0.15940 0.00096 42 8D-1 0.32109 0.16085 0.16024 0.00061 43 8D+2 0.31748 0.15847 0.15901 -0.00054 44 8D-2 0.32037 0.16064 0.15973 0.00091 45 3 Cu 1S 2.00466 1.00233 1.00233 0.00000 46 2S 0.62705 0.32998 0.29706 0.03292 47 3S 0.02672 0.02419 0.00252 0.02167 48 4PX 1.99487 0.99743 0.99744 -0.00001 49 4PY 1.99466 0.99733 0.99732 0.00001 50 4PZ 1.99510 0.99769 0.99741 0.00028 51 5PX 0.16394 0.08530 0.07864 0.00667 52 5PY 0.12841 0.06969 0.05872 0.01097 53 5PZ 0.15517 0.11534 0.03983 0.07551 54 6PX 0.00423 0.00120 0.00303 -0.00183 55 6PY 0.01977 0.01576 0.00401 0.01176 56 6PZ 0.00778 0.00203 0.00576 -0.00373 57 7D 0 1.65546 0.82985 0.82562 0.00423 58 7D+1 1.64194 0.82071 0.82123 -0.00051 59 7D-1 1.64825 0.82424 0.82401 0.00023 60 7D+2 1.65315 0.82619 0.82696 -0.00077 61 7D-2 1.63105 0.81553 0.81551 0.00002 62 8D 0 0.31748 0.15866 0.15882 -0.00016 63 8D+1 0.32011 0.16047 0.15963 0.00084 64 8D-1 0.31948 0.16016 0.15932 0.00083 65 8D+2 0.31838 0.15953 0.15885 0.00068 66 8D-2 0.32125 0.16088 0.16036 0.00052 67 4 Cu 1S 1.99779 0.99887 0.99892 -0.00004 68 2S 0.58645 0.32071 0.26574 0.05497 69 3S -0.28800 -0.14136 -0.14664 0.00528 70 4PX 1.99534 0.99768 0.99766 0.00003 71 4PY 1.99546 0.99773 0.99773 0.00000 72 4PZ 1.99546 0.99773 0.99773 0.00000 73 5PX 0.27576 0.14123 0.13453 0.00669 74 5PY 0.31622 0.15982 0.15640 0.00342 75 5PZ 0.28125 0.14086 0.14039 0.00048 76 6PX -0.05109 -0.02373 -0.02736 0.00362 77 6PY 0.01234 -0.00014 0.01249 -0.01263 78 6PZ -0.01892 -0.00634 -0.01258 0.00623 79 7D 0 1.63138 0.81682 0.81456 0.00226 80 7D+1 1.65399 0.83228 0.82171 0.01057 81 7D-1 1.62859 0.82280 0.80579 0.01700 82 7D+2 1.62748 0.81210 0.81538 -0.00328 83 7D-2 1.63663 0.82172 0.81491 0.00680 84 8D 0 0.30846 0.15415 0.15430 -0.00015 85 8D+1 0.30383 0.15083 0.15301 -0.00218 86 8D-1 0.30405 0.14986 0.15418 -0.00432 87 8D+2 0.30866 0.15465 0.15400 0.00065 88 8D-2 0.30775 0.15306 0.15469 -0.00163 89 5 Cu 1S 2.00551 1.00275 1.00276 -0.00001 90 2S 0.70302 0.36624 0.33678 0.02946 91 3S 0.34393 0.17692 0.16701 0.00990 92 4PX 1.99471 0.99735 0.99736 -0.00001 93 4PY 1.99468 0.99735 0.99734 0.00001 94 4PZ 1.99444 0.99726 0.99718 0.00007 95 5PX 0.06489 0.03563 0.02927 0.00636 96 5PY 0.07493 0.04483 0.03010 0.01473 97 5PZ 0.06463 0.04032 0.02431 0.01601 98 6PX 0.01332 0.00647 0.00685 -0.00038 99 6PY 0.00603 0.00624 -0.00020 0.00644 100 6PZ -0.00128 0.00077 -0.00205 0.00281 101 7D 0 1.64178 0.82177 0.82001 0.00176 102 7D+1 1.65637 0.82847 0.82791 0.00056 103 7D-1 1.65547 0.82776 0.82771 0.00006 104 7D+2 1.63781 0.81866 0.81915 -0.00050 105 7D-2 1.65213 0.82707 0.82506 0.00201 106 8D 0 0.32383 0.16196 0.16188 0.00008 107 8D+1 0.32280 0.16152 0.16128 0.00024 108 8D-1 0.32351 0.16196 0.16155 0.00041 109 8D+2 0.32593 0.16327 0.16265 0.00062 110 8D-2 0.32535 0.16268 0.16267 0.00002 111 6 Cu 1S 2.00470 1.00235 1.00235 0.00000 112 2S 0.63229 0.34845 0.28385 0.06460 113 3S 0.02738 0.03125 -0.00387 0.03511 114 4PX 1.99485 0.99741 0.99744 -0.00002 115 4PY 1.99505 0.99765 0.99740 0.00025 116 4PZ 1.99458 0.99730 0.99728 0.00002 117 5PX 0.15799 0.08264 0.07534 0.00730 118 5PY 0.14835 0.10866 0.03969 0.06897 119 5PZ 0.12441 0.07299 0.05142 0.02157 120 6PX 0.01817 0.01136 0.00681 0.00455 121 6PY 0.01612 0.01302 0.00309 0.00993 122 6PZ 0.01196 0.01268 -0.00072 0.01341 123 7D 0 1.65228 0.82670 0.82559 0.00111 124 7D+1 1.63627 0.81819 0.81808 0.00012 125 7D-1 1.64816 0.82423 0.82393 0.00030 126 7D+2 1.65374 0.82686 0.82689 -0.00003 127 7D-2 1.63933 0.81943 0.81990 -0.00047 128 8D 0 0.31732 0.15909 0.15822 0.00087 129 8D+1 0.32062 0.16077 0.15985 0.00091 130 8D-1 0.31936 0.16030 0.15906 0.00123 131 8D+2 0.31899 0.15998 0.15901 0.00097 132 8D-2 0.32075 0.16094 0.15981 0.00113 133 7 Cu 1S 2.00551 1.00275 1.00276 -0.00001 134 2S 0.70244 0.36597 0.33647 0.02950 135 3S 0.34374 0.17675 0.16699 0.00976 136 4PX 1.99423 0.99713 0.99709 0.00004 137 4PY 1.99479 0.99741 0.99739 0.00002 138 4PZ 1.99481 0.99742 0.99739 0.00002 139 5PX 0.06495 0.03500 0.02994 0.00506 140 5PY 0.06961 0.04237 0.02724 0.01513 141 5PZ 0.07103 0.04440 0.02663 0.01776 142 6PX 0.01964 0.01035 0.00929 0.00105 143 6PY -0.00056 0.00250 -0.00306 0.00556 144 6PZ -0.00116 0.00032 -0.00148 0.00180 145 7D 0 1.63810 0.81937 0.81873 0.00063 146 7D+1 1.65675 0.82790 0.82884 -0.00094 147 7D-1 1.65804 0.83042 0.82761 0.00281 148 7D+2 1.63507 0.81870 0.81637 0.00233 149 7D-2 1.65566 0.82737 0.82829 -0.00091 150 8D 0 0.32503 0.16274 0.16229 0.00045 151 8D+1 0.32357 0.16208 0.16150 0.00058 152 8D-1 0.32414 0.16203 0.16212 -0.00009 153 8D+2 0.32508 0.16251 0.16257 -0.00006 154 8D-2 0.32355 0.16203 0.16152 0.00051 155 8 C 1S 1.99855 0.99929 0.99926 0.00003 156 2S 0.88504 0.45076 0.43427 0.01649 157 3S 0.68943 0.34933 0.34010 0.00924 158 4PX 0.55953 0.28550 0.27403 0.01147 159 4PY 0.88611 0.46043 0.42568 0.03475 160 4PZ 0.62793 0.31656 0.31138 0.00518 161 5PX 0.09993 0.05327 0.04666 0.00661 162 5PY 0.04766 0.02326 0.02440 -0.00114 163 5PZ 0.09625 0.05353 0.04272 0.01082 164 9 O 1S 1.99922 0.99961 0.99961 0.00000 165 2S 0.98930 0.49524 0.49405 0.00119 166 3S 0.83900 0.41887 0.42014 -0.00127 167 4PX 1.09584 0.55047 0.54537 0.00510 168 4PY 1.16644 0.59020 0.57624 0.01396 169 4PZ 1.11194 0.55827 0.55367 0.00460 170 5PX 0.37389 0.18660 0.18729 -0.00070 171 5PY 0.19353 0.09502 0.09851 -0.00348 172 5PZ 0.33967 0.17011 0.16956 0.00055 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.019583 -0.031990 -0.032573 -0.056585 0.061083 0.062436 2 Cu -0.031990 19.070754 -0.021277 -0.131641 0.001971 -0.020613 3 Cu -0.032573 -0.021277 19.071731 -0.131679 0.076514 -0.020796 4 Cu -0.056585 -0.131641 -0.131679 19.249305 -0.086246 -0.122244 5 Cu 0.061083 0.001971 0.076514 -0.086246 19.014498 -0.020286 6 Cu 0.062436 -0.020613 -0.020796 -0.122244 -0.020286 19.092850 7 Cu 0.060924 0.076600 0.001092 -0.085655 0.068702 -0.019746 8 C 0.010548 0.006949 0.006949 0.131641 0.020383 0.004525 9 O -0.000804 -0.000919 -0.001043 0.041983 -0.012809 -0.003463 7 8 9 1 Cu 0.060924 0.010548 -0.000804 2 Cu 0.076600 0.006949 -0.000919 3 Cu 0.001092 0.006949 -0.001043 4 Cu -0.085655 0.131641 0.041983 5 Cu 0.068702 0.020383 -0.012809 6 Cu -0.019746 0.004525 -0.003463 7 Cu 19.013681 0.021537 -0.013118 8 C 0.021537 5.141935 0.545963 9 O -0.013118 0.545963 7.553032 Mulliken atomic charges: 1 1 Cu -0.092625 2 Cu 0.050166 3 Cu 0.051082 4 Cu 0.191120 5 Cu -0.123809 6 Cu 0.047336 7 Cu -0.124017 8 C 0.109570 9 O -0.108823 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.092625 2 Cu 0.050166 3 Cu 0.051082 4 Cu 0.191120 5 Cu -0.123809 6 Cu 0.047336 7 Cu -0.124017 8 C 0.109570 9 O -0.108823 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.085149 -0.025712 -0.025668 0.027615 0.006116 -0.007442 2 Cu -0.025712 0.113108 0.047551 -0.026681 -0.007699 0.056814 3 Cu -0.025668 0.047551 0.115461 -0.026824 0.000762 0.057554 4 Cu 0.027615 -0.026681 -0.026824 0.128684 0.014134 -0.026110 5 Cu 0.006116 -0.007699 0.000762 0.014134 0.084610 -0.013520 6 Cu -0.007442 0.056814 0.057554 -0.026110 -0.013520 0.179799 7 Cu 0.006130 0.000815 -0.008053 0.014386 0.011671 -0.013466 8 C -0.004464 -0.000583 -0.000616 -0.011286 -0.005132 -0.001882 9 O -0.000122 -0.000029 -0.000027 -0.000135 -0.000280 0.000087 7 8 9 1 Cu 0.006130 -0.004464 -0.000122 2 Cu 0.000815 -0.000583 -0.000029 3 Cu -0.008053 -0.000616 -0.000027 4 Cu 0.014386 -0.011286 -0.000135 5 Cu 0.011671 -0.005132 -0.000280 6 Cu -0.013466 -0.001882 0.000087 7 Cu 0.084537 -0.004609 -0.000411 8 C -0.004609 0.149118 -0.027099 9 O -0.000411 -0.027099 0.047965 Mulliken atomic spin densities: 1 1 Cu 0.061601 2 Cu 0.157585 3 Cu 0.160139 4 Cu 0.093784 5 Cu 0.090662 6 Cu 0.231833 7 Cu 0.090999 8 C 0.093449 9 O 0.019949 Sum of Mulliken spin densities= 1.00000 Electronic spatial extent (au): = 3208.0037 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2443 Y= 0.1797 Z= 0.2850 Tot= 0.4162 Quadrupole moment (field-independent basis, Debye-Ang): XX= -99.7704 YY= -104.5222 ZZ= -103.0027 XY= 2.7670 XZ= -2.2389 YZ= 5.3022 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.6614 YY= -2.0905 ZZ= -0.5709 XY= 2.7670 XZ= -2.2389 YZ= 5.3022 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -50.9228 YYY= 272.1817 ZZZ= -88.5558 XYY= -20.8960 XXY= 79.1206 XXZ= -25.9018 XZZ= -13.4189 YZZ= 89.3942 YYZ= -46.0156 XYZ= 9.6963 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1068.0601 YYYY= -1849.8923 ZZZZ= -1197.9190 XXXY= 78.2356 XXXZ= -43.5489 YYYX= 95.6397 YYYZ= 237.0754 ZZZX= -33.4600 ZZZY= 174.4538 XXYY= -448.9184 XXZZ= -362.5596 YYZZ= -517.3911 XXYZ= 54.1954 YYXZ= -47.0907 ZZXY= 41.0394 N-N= 1.684397717024D+03 E-N=-6.998126395817D+03 KE= 1.004887057186D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.26144 29.12393 2 O -10.34436 15.96873 3 O -4.34573 2.68627 4 O -4.30099 2.68648 5 O -4.30073 2.68819 6 O -4.29718 2.68748 7 O -4.28773 2.68767 8 O -4.28689 2.68766 9 O -4.28683 2.68767 10 O -2.85744 5.08091 11 O -2.84980 5.08710 12 O -2.84900 5.08614 13 O -2.80985 5.07297 14 O -2.80898 5.08693 15 O -2.80843 5.07800 16 O -2.80782 5.09020 17 O -2.80707 5.08529 18 O -2.80672 5.09014 19 O -2.80548 5.09157 20 O -2.80435 5.08657 21 O -2.80305 5.08664 22 O -2.79710 5.08701 23 O -2.79624 5.08700 24 O -2.79617 5.08703 25 O -2.79400 5.08989 26 O -2.79392 5.08927 27 O -2.79331 5.08913 28 O -2.79325 5.08968 29 O -2.79307 5.08957 30 O -2.79300 5.08985 31 O -1.17758 2.85207 32 O -0.58104 2.50603 33 O -0.48102 2.12828 34 O -0.47456 2.02404 35 O -0.46327 2.32819 36 O -0.35689 2.18264 37 O -0.34059 7.76525 38 O -0.33915 7.87169 39 O -0.32807 8.12531 40 O -0.32789 8.37937 41 O -0.32515 8.33833 42 O -0.31169 8.24241 43 O -0.30878 7.78814 44 O -0.30843 8.40816 45 O -0.30755 8.47578 46 O -0.29654 8.79435 47 O -0.29648 8.79420 48 O -0.29216 8.87858 49 O -0.28837 8.73897 50 O -0.28764 8.44102 51 O -0.28606 8.63574 52 O -0.27998 8.80435 53 O -0.27952 8.82575 54 O -0.27385 9.30685 55 O -0.27209 9.27610 56 O -0.27016 9.13019 57 O -0.26758 9.16912 58 O -0.26706 9.17753 59 O -0.26559 9.07148 60 O -0.26290 9.28264 61 O -0.26285 8.99975 62 O -0.26170 9.35692 63 O -0.26035 9.37489 64 O -0.26027 9.38720 65 O -0.25935 9.45859 66 O -0.25868 9.46604 67 O -0.25798 9.57071 68 O -0.25587 9.37514 69 O -0.25287 9.62124 70 O -0.25258 9.61238 71 O -0.24773 9.74065 72 O -0.20904 2.45584 73 O -0.20680 2.47248 74 O -0.14621 1.66464 75 V -0.08591 1.51198 76 V -0.08219 1.83537 77 V -0.07620 1.36083 78 V -0.07321 0.90089 79 V -0.07302 0.83834 80 V -0.02912 0.70557 81 V -0.02591 0.75629 82 V -0.00715 0.66639 83 V -0.00308 0.75673 84 V 0.00177 0.48999 85 V 0.01656 0.55501 86 V 0.02029 0.46432 87 V 0.02788 0.47043 88 V 0.03171 0.40131 89 V 0.03445 0.37122 90 V 0.03526 0.36680 91 V 0.04263 0.32896 92 V 0.04283 0.33315 93 V 0.04893 0.34810 94 V 0.04935 0.33338 95 V 0.05240 0.36078 96 V 0.05956 0.39142 97 V 0.06165 0.44938 98 V 0.07051 0.42095 99 V 0.07165 0.41708 100 V 0.08310 0.26922 101 V 0.08385 0.26913 102 V 0.08499 0.24774 103 V 0.08830 0.44432 104 V 0.09722 0.90947 105 V 0.09830 0.23693 106 V 0.10385 0.47792 107 V 0.10389 0.33826 108 V 0.11790 0.60949 109 V 0.12138 0.64593 110 V 0.18913 1.24147 111 V 0.19106 1.14898 112 V 0.19731 1.26771 113 V 0.21666 0.96995 114 V 0.23456 1.33214 115 V 0.24325 1.25262 116 V 0.24917 1.39324 117 V 0.26816 1.43784 118 V 0.27435 1.21843 119 V 0.27842 1.17499 120 V 0.30483 1.48291 121 V 0.30910 1.47600 122 V 0.34010 1.51865 123 V 0.39552 1.41565 124 V 0.41169 1.46565 125 V 0.54056 2.82775 126 V 0.63618 4.36087 127 V 0.64634 3.78702 128 V 0.65634 4.17341 129 V 0.67092 4.08491 130 V 0.67413 3.85515 131 V 0.67801 4.26552 132 V 0.69036 3.76763 133 V 0.69758 3.69354 134 V 0.71036 3.70364 135 V 0.73494 3.39482 136 V 0.77152 3.62405 137 V 0.78569 4.61749 138 V 0.81850 3.73352 139 V 0.82689 4.21180 140 V 0.84398 4.07655 141 V 0.86006 4.32678 142 V 0.86883 4.22159 143 V 0.86931 4.42723 144 V 0.89685 3.88336 145 V 0.90171 4.48234 146 V 0.91963 4.42966 147 V 0.93900 4.05800 148 V 0.98533 3.70554 149 V 1.02893 4.49549 150 V 1.03138 4.44998 151 V 1.04779 4.46790 152 V 1.06471 4.47220 153 V 1.08250 4.49766 154 V 1.16666 4.23342 155 V 1.17915 4.25273 156 V 1.21769 4.62746 157 V 1.24945 4.67180 158 V 1.28574 4.67287 159 V 1.29067 4.62984 160 V 1.29414 4.61503 161 V 1.31328 4.63250 162 V 1.31650 4.64812 163 V 1.32008 4.65831 164 V 1.35358 4.78038 165 V 1.55654 2.69344 166 V 1.68197 3.20162 167 V 1.80325 2.01732 168 V 1.84191 2.05106 169 V 2.21381 1.35712 170 V 2.24513 1.69955 171 V 2.36400 1.69115 172 V 10.22224 2.93476 Orbital energies and kinetic energies (beta): 1 2 1 O -19.26051 29.12465 2 O -10.34243 15.96962 3 O -4.34319 2.68614 4 O -4.30046 2.68652 5 O -4.30019 2.68819 6 O -4.29657 2.68751 7 O -4.28738 2.68768 8 O -4.28641 2.68766 9 O -4.28634 2.68767 10 O -2.85439 5.08125 11 O -2.84769 5.08692 12 O -2.84641 5.08590 13 O -2.80899 5.07376 14 O -2.80861 5.07999 15 O -2.80837 5.08258 16 O -2.80786 5.09283 17 O -2.80618 5.08348 18 O -2.80572 5.09100 19 O -2.80450 5.08795 20 O -2.80441 5.09009 21 O -2.80228 5.08830 22 O -2.79675 5.08716 23 O -2.79564 5.08712 24 O -2.79556 5.08720 25 O -2.79379 5.08996 26 O -2.79355 5.08930 27 O -2.79301 5.09003 28 O -2.79295 5.09002 29 O -2.79256 5.08909 30 O -2.79250 5.08904 31 O -1.17546 2.84983 32 O -0.57753 2.51085 33 O -0.47694 2.13654 34 O -0.47334 2.02691 35 O -0.45598 2.27538 36 O -0.35223 2.45632 37 O -0.33911 7.75912 38 O -0.33818 7.90103 39 O -0.32603 8.79222 40 O -0.32451 8.59571 41 O -0.32174 7.41271 42 O -0.31035 8.11518 43 O -0.30747 8.45085 44 O -0.30673 8.51339 45 O -0.30483 7.95819 46 O -0.29595 8.83271 47 O -0.29588 8.82337 48 O -0.29201 8.88328 49 O -0.28748 8.75203 50 O -0.28532 8.67440 51 O -0.28470 8.44335 52 O -0.27919 8.83294 53 O -0.27850 8.84979 54 O -0.27206 9.31438 55 O -0.27045 9.27601 56 O -0.26980 9.13874 57 O -0.26618 9.18701 58 O -0.26592 9.18918 59 O -0.26482 9.08904 60 O -0.26233 9.41548 61 O -0.26122 9.37996 62 O -0.26075 8.93329 63 O -0.25958 9.31364 64 O -0.25927 9.38704 65 O -0.25780 9.60065 66 O -0.25748 9.50663 67 O -0.25739 9.44802 68 O -0.25299 9.35107 69 O -0.25190 9.64360 70 O -0.25144 9.63390 71 O -0.24747 9.75304 72 O -0.20592 2.34542 73 O -0.20379 2.38227 74 V -0.10064 1.51940 75 V -0.08062 1.20281 76 V -0.07836 1.91281 77 V -0.07121 0.82850 78 V -0.07077 1.56624 79 V -0.06980 0.83587 80 V -0.02308 0.63853 81 V -0.02044 0.64626 82 V -0.00488 0.70365 83 V -0.00162 0.77505 84 V 0.00684 0.46899 85 V 0.01841 0.53952 86 V 0.02090 0.45870 87 V 0.02929 0.49163 88 V 0.03345 0.39348 89 V 0.03691 0.34471 90 V 0.03728 0.34505 91 V 0.04304 0.33240 92 V 0.04334 0.34060 93 V 0.05038 0.34312 94 V 0.05092 0.32824 95 V 0.05359 0.35995 96 V 0.06109 0.40909 97 V 0.06305 0.46023 98 V 0.07152 0.44709 99 V 0.07259 0.44091 100 V 0.08305 0.26627 101 V 0.08391 0.26111 102 V 0.08502 0.23995 103 V 0.09116 0.48654 104 V 0.09844 0.23434 105 V 0.10090 0.77832 106 V 0.10445 0.50868 107 V 0.10448 0.46603 108 V 0.12180 0.61807 109 V 0.12495 0.65300 110 V 0.19280 1.28382 111 V 0.19589 1.13529 112 V 0.20055 1.21878 113 V 0.21796 0.96104 114 V 0.23679 1.33269 115 V 0.24607 1.24209 116 V 0.25209 1.39803 117 V 0.27012 1.43286 118 V 0.27728 1.20676 119 V 0.28080 1.16774 120 V 0.30761 1.47786 121 V 0.31058 1.46800 122 V 0.34298 1.52259 123 V 0.39658 1.41649 124 V 0.41449 1.47026 125 V 0.54321 2.80928 126 V 0.64030 4.34632 127 V 0.64887 3.77301 128 V 0.65923 4.20466 129 V 0.67240 4.06632 130 V 0.67679 3.82306 131 V 0.68035 4.25411 132 V 0.69179 3.79125 133 V 0.69964 3.69258 134 V 0.71248 3.70031 135 V 0.73714 3.39194 136 V 0.77297 3.61181 137 V 0.78738 4.61111 138 V 0.82135 3.73259 139 V 0.82937 4.23031 140 V 0.84686 4.08990 141 V 0.86178 4.31994 142 V 0.87068 4.19861 143 V 0.87193 4.42498 144 V 0.90054 3.89712 145 V 0.90564 4.47256 146 V 0.92289 4.42145 147 V 0.94120 4.05969 148 V 0.98713 3.69485 149 V 1.03135 4.49671 150 V 1.03479 4.44405 151 V 1.05102 4.45686 152 V 1.06751 4.46577 153 V 1.08582 4.49531 154 V 1.16856 4.22926 155 V 1.18115 4.24814 156 V 1.22092 4.62431 157 V 1.25200 4.67005 158 V 1.28837 4.66990 159 V 1.29298 4.62915 160 V 1.29615 4.61240 161 V 1.31517 4.62705 162 V 1.31892 4.64784 163 V 1.32176 4.65799 164 V 1.35699 4.78253 165 V 1.55813 2.69954 166 V 1.68386 3.20319 167 V 1.80449 2.01770 168 V 1.84356 2.05045 169 V 2.21539 1.35711 170 V 2.24845 1.69443 171 V 2.36560 1.69237 172 V 10.22375 2.93470 Total kinetic energy from orbitals= 1.004887057186D+03 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00311 0.00111 0.00104 2 Cu(63) 0.00000 0.00269 0.00096 0.00090 3 Cu(63) 0.00000 0.00275 0.00098 0.00092 4 Cu(63) 0.00000 0.00068 0.00024 0.00023 5 Cu(63) 0.00000 0.00212 0.00076 0.00071 6 Cu(63) 0.00000 0.00408 0.00146 0.00136 7 Cu(63) 0.00000 0.00212 0.00076 0.00071 8 C(13) 0.09721 109.27776 38.99302 36.45114 9 O(17) 0.01351 -8.19125 -2.92284 -2.73231 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.009282 0.025578 -0.016297 2 Atom 0.118955 -0.059731 -0.059224 3 Atom -0.055239 -0.044420 0.099659 4 Atom -0.006336 -0.015264 0.021600 5 Atom -0.022685 -0.023622 0.046307 6 Atom -0.051894 0.102513 -0.050619 7 Atom 0.055045 -0.026988 -0.028056 8 Atom -0.021835 0.061278 -0.039443 9 Atom -0.030352 0.066025 -0.035674 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.010681 -0.005103 0.008067 2 Atom 0.008774 0.008722 -0.020042 3 Atom -0.029169 -0.042850 0.034180 4 Atom -0.006858 0.037072 -0.014629 5 Atom -0.008537 -0.022508 0.007698 6 Atom 0.054522 0.024752 0.039864 7 Atom -0.005503 0.003182 -0.006907 8 Atom 0.058980 0.011887 0.053503 9 Atom 0.095757 0.058894 0.088803 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0222 -3.142 -1.121 -1.048 0.5306 -0.2551 0.8083 1 Cu(63) Bbb -0.0073 -1.035 -0.369 -0.345 0.8113 -0.1233 -0.5714 Bcc 0.0295 4.177 1.491 1.393 0.2455 0.9590 0.1416 Baa -0.0803 -11.367 -4.056 -3.792 -0.0620 0.7102 0.7013 2 Cu(63) Bbb -0.0394 -5.583 -1.992 -1.862 -0.0003 -0.7027 0.7115 Bcc 0.1197 16.951 6.048 5.654 0.9981 0.0439 0.0437 Baa -0.0804 -11.387 -4.063 -3.798 0.8115 0.5783 0.0833 3 Cu(63) Bbb -0.0403 -5.706 -2.036 -1.903 -0.5197 0.7796 -0.3495 Bcc 0.1207 17.092 6.099 5.701 -0.2671 0.2403 0.9332 Baa -0.0325 -4.601 -1.642 -1.535 0.7859 -0.1875 -0.5893 4 Cu(63) Bbb -0.0186 -2.631 -0.939 -0.878 0.2885 0.9540 0.0812 Bcc 0.0511 7.232 2.581 2.412 0.5470 -0.2338 0.8039 Baa -0.0335 -4.740 -1.691 -1.581 0.8075 0.5639 0.1734 5 Cu(63) Bbb -0.0208 -2.940 -1.049 -0.981 -0.5129 0.8162 -0.2658 Bcc 0.0542 7.680 2.740 2.562 -0.2914 0.1257 0.9483 Baa -0.0774 -10.955 -3.909 -3.654 0.8108 -0.1187 -0.5732 6 Cu(63) Bbb -0.0539 -7.627 -2.721 -2.544 0.4985 -0.3732 0.7824 Bcc 0.1312 18.582 6.630 6.198 0.3068 0.9201 0.2434 Baa -0.0345 -4.881 -1.742 -1.628 0.0162 0.6845 0.7288 7 Cu(63) Bbb -0.0211 -2.987 -1.066 -0.996 0.0810 0.7256 -0.6833 Bcc 0.0556 7.868 2.807 2.624 0.9966 -0.0701 0.0437 Baa -0.0689 -9.248 -3.300 -3.085 0.4473 -0.5058 0.7376 8 C(13) Bbb -0.0418 -5.608 -2.001 -1.871 0.7959 -0.1511 -0.5863 Bcc 0.1107 14.856 5.301 4.955 0.4080 0.8493 0.3349 Baa -0.0922 6.675 2.382 2.226 0.7863 -0.1378 -0.6023 9 O(17) Bbb -0.0859 6.213 2.217 2.072 0.3956 -0.6365 0.6621 Bcc 0.1781 -12.887 -4.599 -4.299 0.4746 0.7589 0.4460 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sat Apr 12 23:53:20 2008, MaxMem= 1258291200 cpu: 4.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l701.exe) Compute integral first derivatives. ... and contract with generalized density number 0. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 701 at Sat Apr 12 23:53:26 2008, MaxMem= 1258291200 cpu: 16.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l702.exe) L702 exits ... SP integral derivatives will be done elsewhere. Leave Link 702 at Sat Apr 12 23:53:27 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l703.exe) Compute integral first derivatives, UseDBF=F. Integral derivatives from FoFDir, PRISM(SPDF). Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Leave Link 703 at Sat Apr 12 23:53:48 2008, MaxMem= 1258291200 cpu: 76.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole = 9.61008942D-02 7.06923892D-02 1.12135267D-01 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000044879 -0.000010672 -0.000093452 2 29 -0.000013821 0.000031977 0.000056091 3 29 0.000091945 0.000024669 0.000019975 4 29 -0.000074761 -0.000165544 0.000005603 5 29 0.000012900 -0.000010217 -0.000029148 6 29 0.000005290 0.000089198 -0.000032825 7 29 -0.000053774 -0.000015304 0.000010355 8 6 0.000067747 0.000226146 0.000043849 9 8 0.000009353 -0.000170253 0.000019553 ------------------------------------------------------------------- Cartesian Forces: Max 0.000226146 RMS 0.000076554 Leave Link 716 at Sat Apr 12 23:53:49 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000161317 RMS 0.000038555 Search for a local minimum. Step number 1 out of a maximum of 58 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- first step. Eigenvalues --- 0.03388 0.07426 0.08139 0.08240 0.08578 Eigenvalues --- 0.08854 0.09629 0.09815 0.09826 0.10286 Eigenvalues --- 0.11152 0.11689 0.11785 0.11930 0.12358 Eigenvalues --- 0.13414 0.13998 0.16772 0.17469 0.25000 Eigenvalues --- 1.193001000.000001000.000001000.000001000.00000 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 --- 1000.000001000.000001000.00000 RFO step: Lambda=-4.00710834D-07. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00025619 RMS(Int)= 0.00000007 Iteration 2 RMS(Cart)= 0.00000005 RMS(Int)= 0.00000005 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.65857 -0.00006 0.00000 -0.00063 -0.00063 4.65794 R2 4.66298 -0.00005 0.00000 -0.00059 -0.00059 4.66239 R3 4.87063 0.00000 0.00000 0.00001 0.00001 4.87065 R4 4.76401 -0.00001 0.00000 -0.00015 -0.00015 4.76387 R5 4.87726 0.00003 0.00000 0.00029 0.00029 4.87755 R6 4.66011 0.00000 0.00000 0.00016 0.00016 4.66027 R7 4.70214 -0.00003 0.00000 -0.00025 -0.00025 4.70189 R8 4.88613 0.00001 0.00000 0.00004 0.00004 4.88617 R9 4.69724 -0.00002 0.00000 -0.00010 -0.00010 4.69714 R10 4.66344 0.00002 0.00000 0.00033 0.00033 4.66376 R11 4.79469 0.00003 0.00000 0.00025 0.00025 4.79494 R12 5.06421 0.00004 0.00000 0.00035 0.00035 5.06457 R13 4.79043 0.00003 0.00000 0.00026 0.00026 4.79069 R14 3.65100 0.00002 0.00000 0.00012 0.00012 3.65112 R15 4.68292 0.00001 0.00000 0.00019 0.00019 4.68311 R16 4.68334 0.00002 0.00000 0.00029 0.00029 4.68363 R17 2.21776 0.00016 0.00000 0.00014 0.00014 2.21789 A1 2.03718 0.00001 0.00000 0.00005 0.00005 2.03723 A2 1.94259 0.00000 0.00000 0.00005 0.00005 1.94263 A3 1.88973 0.00000 0.00000 0.00002 0.00002 1.88974 A4 1.94275 0.00000 0.00000 -0.00001 -0.00001 1.94274 A5 2.03159 0.00002 0.00000 0.00016 0.00016 2.03175 A6 1.88777 0.00000 0.00000 0.00003 0.00003 1.88780 A7 1.92570 -0.00002 0.00000 -0.00017 -0.00017 1.92552 A8 1.78235 -0.00003 0.00000 -0.00029 -0.00029 1.78207 A9 1.92438 0.00000 0.00000 -0.00002 -0.00002 1.92436 A10 2.07297 -0.00002 0.00000 -0.00024 -0.00024 2.07273 A11 1.82071 -0.00001 0.00000 -0.00007 -0.00007 1.82064 A12 2.61209 -0.00002 0.00000 -0.00018 -0.00018 2.61190 A13 1.81814 -0.00001 0.00000 -0.00006 -0.00006 1.81808 A14 2.60147 0.00001 0.00000 0.00001 0.00001 2.60147 A15 1.85831 -0.00001 0.00000 -0.00007 -0.00007 1.85824 A16 1.84002 0.00002 0.00000 0.00019 0.00019 1.84021 A17 2.42782 0.00006 0.00000 0.00053 0.00053 2.42835 A18 1.82875 0.00004 0.00000 0.00035 0.00035 1.82909 A19 1.90025 0.00001 0.00000 0.00007 0.00007 1.90032 A20 1.90284 0.00000 0.00000 -0.00001 -0.00001 1.90283 A21 1.92224 0.00000 0.00000 -0.00007 -0.00007 1.92217 A22 2.82231 -0.00009 0.00000 -0.00036 -0.00036 2.82194 D1 0.00575 -0.00001 0.00000 -0.00012 -0.00012 0.00563 D2 -0.11584 -0.00002 0.00000 -0.00017 -0.00017 -0.11601 D3 0.11033 0.00003 0.00000 0.00028 0.00028 0.11060 D4 3.10366 0.00002 0.00000 0.00018 0.00018 3.10385 D5 -1.90154 -0.00006 0.00000 -0.00058 -0.00058 -1.90212 D6 1.82629 0.00008 0.00000 0.00084 0.00084 1.82713 D7 -1.01099 -0.00001 0.00000 -0.00006 -0.00006 -1.01105 D8 -0.02589 -0.00002 0.00000 -0.00009 -0.00009 -0.02598 D9 0.94639 0.00000 0.00000 0.00008 0.00008 0.94647 Item Value Threshold Converged? Maximum Force 0.000161 0.000450 YES RMS Force 0.000039 0.000300 YES Maximum Displacement 0.000775 0.001800 YES RMS Displacement 0.000256 0.001200 YES Predicted change in Energy=-2.003472D-07 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 2.4652 -DE/DX = -0.0001 ! ! R2 R(1,3) 2.4675 -DE/DX = -0.0001 ! ! R3 R(1,4) 2.5774 -DE/DX = 0.0 ! ! R4 R(2,3) 2.521 -DE/DX = 0.0 ! ! R5 R(2,4) 2.5809 -DE/DX = 0.0 ! ! R6 R(2,5) 2.466 -DE/DX = 0.0 ! ! R7 R(2,6) 2.4883 -DE/DX = 0.0 ! ! R8 R(3,4) 2.5856 -DE/DX = 0.0 ! ! R9 R(3,6) 2.4857 -DE/DX = 0.0 ! ! R10 R(3,7) 2.4678 -DE/DX = 0.0 ! ! R11 R(4,5) 2.5372 -DE/DX = 0.0 ! ! R12 R(4,6) 2.6799 -DE/DX = 0.0 ! ! R13 R(4,7) 2.535 -DE/DX = 0.0 ! ! R14 R(4,8) 1.932 -DE/DX = 0.0 ! ! R15 R(5,6) 2.4781 -DE/DX = 0.0 ! ! R16 R(6,7) 2.4783 -DE/DX = 0.0 ! ! R17 R(8,9) 1.1736 -DE/DX = 0.0002 ! ! A1 A(1,2,5) 116.7217 -DE/DX = 0.0 ! ! A2 A(1,2,6) 111.3021 -DE/DX = 0.0 ! ! A3 A(3,2,5) 108.2733 -DE/DX = 0.0 ! ! A4 A(1,3,6) 111.3113 -DE/DX = 0.0 ! ! A5 A(1,3,7) 116.4013 -DE/DX = 0.0 ! ! A6 A(2,3,7) 108.1611 -DE/DX = 0.0 ! ! A7 A(1,4,5) 110.3344 -DE/DX = 0.0 ! ! A8 A(1,4,6) 102.1214 -DE/DX = 0.0 ! ! A9 A(1,4,7) 110.259 -DE/DX = 0.0 ! ! A10 A(1,4,8) 118.7724 -DE/DX = 0.0 ! ! A11 A(2,4,7) 104.3192 -DE/DX = 0.0 ! ! A12 A(2,4,8) 149.6615 -DE/DX = 0.0 ! ! A13 A(3,4,5) 104.1715 -DE/DX = 0.0 ! ! A14 A(3,4,8) 149.0531 -DE/DX = 0.0 ! ! A15 A(5,4,7) 106.4734 -DE/DX = 0.0 ! ! A16 A(5,4,8) 105.4253 -DE/DX = 0.0 ! ! A17 A(6,4,8) 139.1037 -DE/DX = 0.0001 ! ! A18 A(7,4,8) 104.7794 -DE/DX = 0.0 ! ! A19 A(2,6,7) 108.8762 -DE/DX = 0.0 ! ! A20 A(3,6,5) 109.0246 -DE/DX = 0.0 ! ! A21 A(5,6,7) 110.1365 -DE/DX = 0.0 ! ! A22 A(4,8,9) 161.7062 -DE/DX = -0.0001 ! ! D1 D(5,2,3,7) 0.3292 -DE/DX = 0.0 ! ! D2 D(1,2,6,7) -6.6372 -DE/DX = 0.0 ! ! D3 D(1,3,6,5) 6.3213 -DE/DX = 0.0 ! ! D4 D(1,4,8,9) 177.8268 -DE/DX = 0.0 ! ! D5 D(2,4,8,9) -108.9501 -DE/DX = -0.0001 ! ! D6 D(3,4,8,9) 104.6386 -DE/DX = 0.0001 ! ! D7 D(5,4,8,9) -57.9254 -DE/DX = 0.0 ! ! D8 D(6,4,8,9) -1.4835 -DE/DX = 0.0 ! ! D9 D(7,4,8,9) 54.2243 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Largest change from initial coordinates is atom 0 0.000 Angstoms. Leave Link 103 at Sat Apr 12 23:53:49 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 1.271816 1.076396 1.462191 2 29 0 1.063420 0.395049 -0.897809 3 29 0 -0.985804 0.708185 0.536802 4 29 0 0.540549 -1.339432 0.940509 5 29 0 1.307295 -2.010406 -1.383170 6 29 0 -0.957199 -1.011799 -1.257465 7 29 0 -1.988674 -1.510259 0.940180 8 6 0 1.130464 -2.762060 2.107066 9 8 0 1.278424 -3.825583 2.580700 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.465210 0.000000 3 Cu 2.467544 2.521008 0.000000 4 Cu 2.577427 2.580936 2.585627 0.000000 5 Cu 4.198296 2.466022 4.041700 2.537241 0.000000 6 Cu 4.089694 2.488267 2.485670 2.679866 2.478095 7 Cu 4.194530 4.040257 2.467784 2.534985 4.063436 8 C 3.894816 4.359026 4.357398 1.932027 3.574634 9 O 5.027973 5.473572 5.464367 3.068491 4.359813 6 7 8 9 6 Cu 0.000000 7 Cu 2.478315 0.000000 8 C 4.329183 3.557759 0.000000 9 O 5.258033 4.327350 1.173586 0.000000 Symmetry turned off by external request. Stoichiometry CCu7O(2) Framework group C1[X(CCu7O)] Deg. of freedom 21 Full point group C1 Rotational constants (GHZ): 0.3684787 0.3489290 0.3333678 Leave Link 202 at Sat Apr 12 23:53:49 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26144 -10.34436 -4.34573 -4.30099 -4.30073 Alpha occ. eigenvalues -- -4.29718 -4.28773 -4.28689 -4.28683 -2.85744 Alpha occ. eigenvalues -- -2.84980 -2.84900 -2.80985 -2.80898 -2.80843 Alpha occ. eigenvalues -- -2.80782 -2.80707 -2.80672 -2.80548 -2.80435 Alpha occ. eigenvalues -- -2.80305 -2.79710 -2.79624 -2.79617 -2.79400 Alpha occ. eigenvalues -- -2.79392 -2.79331 -2.79325 -2.79307 -2.79300 Alpha occ. eigenvalues -- -1.17758 -0.58104 -0.48102 -0.47456 -0.46327 Alpha occ. eigenvalues -- -0.35689 -0.34059 -0.33915 -0.32807 -0.32789 Alpha occ. eigenvalues -- -0.32515 -0.31169 -0.30878 -0.30843 -0.30755 Alpha occ. eigenvalues -- -0.29654 -0.29648 -0.29216 -0.28837 -0.28764 Alpha occ. eigenvalues -- -0.28606 -0.27998 -0.27952 -0.27385 -0.27209 Alpha occ. eigenvalues -- -0.27016 -0.26758 -0.26706 -0.26559 -0.26290 Alpha occ. eigenvalues -- -0.26285 -0.26170 -0.26035 -0.26027 -0.25935 Alpha occ. eigenvalues -- -0.25868 -0.25798 -0.25587 -0.25287 -0.25258 Alpha occ. eigenvalues -- -0.24773 -0.20904 -0.20680 -0.14621 Alpha virt. eigenvalues -- -0.08591 -0.08219 -0.07620 -0.07321 -0.07302 Alpha virt. eigenvalues -- -0.02912 -0.02591 -0.00715 -0.00308 0.00177 Alpha virt. eigenvalues -- 0.01656 0.02029 0.02788 0.03171 0.03445 Alpha virt. eigenvalues -- 0.03526 0.04263 0.04283 0.04893 0.04935 Alpha virt. eigenvalues -- 0.05240 0.05956 0.06165 0.07051 0.07165 Alpha virt. eigenvalues -- 0.08310 0.08385 0.08499 0.08830 0.09722 Alpha virt. eigenvalues -- 0.09830 0.10385 0.10389 0.11790 0.12138 Alpha virt. eigenvalues -- 0.18913 0.19106 0.19731 0.21666 0.23456 Alpha virt. eigenvalues -- 0.24325 0.24917 0.26816 0.27435 0.27842 Alpha virt. eigenvalues -- 0.30483 0.30910 0.34010 0.39552 0.41169 Alpha virt. eigenvalues -- 0.54056 0.63618 0.64634 0.65634 0.67092 Alpha virt. eigenvalues -- 0.67413 0.67801 0.69036 0.69758 0.71036 Alpha virt. eigenvalues -- 0.73494 0.77152 0.78569 0.81850 0.82689 Alpha virt. eigenvalues -- 0.84398 0.86006 0.86883 0.86931 0.89685 Alpha virt. eigenvalues -- 0.90171 0.91963 0.93900 0.98533 1.02893 Alpha virt. eigenvalues -- 1.03138 1.04779 1.06471 1.08250 1.16666 Alpha virt. eigenvalues -- 1.17915 1.21769 1.24945 1.28574 1.29067 Alpha virt. eigenvalues -- 1.29414 1.31328 1.31650 1.32008 1.35358 Alpha virt. eigenvalues -- 1.55654 1.68197 1.80325 1.84191 2.21381 Alpha virt. eigenvalues -- 2.24513 2.36400 10.22224 Beta occ. eigenvalues -- -19.26051 -10.34243 -4.34319 -4.30046 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1.03135 1.03479 1.05102 1.06751 1.08582 Beta virt. eigenvalues -- 1.16856 1.18115 1.22092 1.25200 1.28837 Beta virt. eigenvalues -- 1.29298 1.29615 1.31517 1.31892 1.32176 Beta virt. eigenvalues -- 1.35699 1.55813 1.68386 1.80449 1.84356 Beta virt. eigenvalues -- 2.21539 2.24845 2.36560 10.22375 Alpha Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.26144 -10.34436 -4.34573 -4.30099 -4.30073 1 1 Cu 1S -0.00010 0.00028 0.00038 0.00860 0.00434 2 2S -0.00017 0.00039 -0.00075 -0.00063 -0.00032 3 3S -0.00013 -0.00251 -0.00355 -0.00080 -0.00043 4 4PX 0.00000 -0.00001 0.00002 0.00008 0.00010 5 4PY 0.00001 -0.00006 0.00008 0.00007 0.00003 6 4PZ 0.00000 0.00000 0.00002 0.00016 0.00004 7 5PX -0.00002 0.00001 0.00063 -0.00023 0.00068 8 5PY 0.00015 0.00026 0.00184 -0.00014 -0.00019 9 5PZ -0.00006 -0.00004 0.00050 0.00037 -0.00035 10 6PX -0.00011 0.00055 0.00044 0.00047 -0.00019 11 6PY 0.00013 0.00038 0.00018 0.00075 0.00045 12 6PZ -0.00017 0.00069 0.00057 0.00014 0.00037 13 7D 0 0.00000 0.00000 0.00003 -0.00008 0.00006 14 7D+1 0.00000 -0.00001 0.00000 -0.00004 -0.00006 15 7D-1 0.00000 -0.00003 0.00001 -0.00005 0.00001 16 7D+2 0.00000 -0.00001 0.00005 -0.00002 -0.00007 17 7D-2 0.00000 -0.00002 -0.00001 -0.00001 -0.00002 18 8D 0 0.00002 0.00001 -0.00006 0.00026 -0.00016 19 8D+1 0.00001 0.00005 -0.00006 0.00017 0.00020 20 8D-1 -0.00001 0.00016 -0.00016 0.00015 -0.00002 21 8D+2 0.00002 0.00004 -0.00011 0.00004 0.00021 22 8D-2 -0.00001 0.00011 -0.00008 0.00004 0.00007 23 2 Cu 1S -0.00004 0.00045 0.00026 0.95062 -0.31664 24 2S -0.00008 0.00072 -0.00144 0.00854 -0.00387 25 3S -0.00095 0.00264 -0.00173 0.00642 -0.00436 26 4PX 0.00000 0.00000 0.00002 0.00215 -0.00061 27 4PY 0.00000 -0.00002 0.00010 0.00238 -0.00080 28 4PZ 0.00000 0.00002 -0.00011 -0.00214 0.00063 29 5PX 0.00001 -0.00020 0.00036 -0.00137 0.00157 30 5PY 0.00022 -0.00117 0.00188 -0.00185 0.00024 31 5PZ -0.00015 0.00111 -0.00196 0.00166 -0.00142 32 6PX -0.00001 -0.00024 0.00052 -0.00129 0.00114 33 6PY -0.00018 -0.00008 0.00080 -0.00093 -0.00014 34 6PZ -0.00053 -0.00006 0.00064 0.00054 -0.00070 35 7D 0 0.00000 -0.00001 -0.00001 -0.00003 0.00001 36 7D+1 0.00000 0.00001 0.00001 -0.00017 0.00011 37 7D-1 0.00000 0.00002 0.00001 0.00010 -0.00005 38 7D+2 0.00000 0.00001 0.00001 0.00000 -0.00004 39 7D-2 0.00000 -0.00001 -0.00001 0.00023 -0.00007 40 8D 0 -0.00001 0.00006 -0.00005 0.00004 -0.00003 41 8D+1 -0.00002 -0.00007 0.00008 -0.00026 0.00004 42 8D-1 0.00001 -0.00017 0.00025 -0.00013 0.00010 43 8D+2 0.00001 -0.00008 0.00004 -0.00005 0.00006 44 8D-2 0.00001 0.00008 -0.00006 0.00019 -0.00005 45 3 Cu 1S -0.00004 0.00044 0.00023 0.31458 0.95126 46 2S -0.00008 0.00070 -0.00143 0.00201 0.00916 47 3S -0.00089 0.00253 -0.00182 0.00038 0.00782 48 4PX 0.00000 0.00001 -0.00009 -0.00081 -0.00211 49 4PY 0.00000 -0.00003 0.00011 0.00103 0.00302 50 4PZ 0.00000 0.00001 -0.00003 0.00036 0.00089 51 5PX -0.00009 0.00082 -0.00157 -0.00046 0.00238 52 5PY 0.00023 -0.00129 0.00220 -0.00079 -0.00231 53 5PZ 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0.00444 123 7D 0 -0.00009 0.00011 0.00000 0.00039 0.00002 124 7D+1 0.00004 0.00014 0.00030 -0.00011 0.00027 125 7D-1 0.00001 0.00004 0.00048 0.00028 0.00041 126 7D+2 0.00004 0.00010 0.00005 -0.00030 -0.00001 127 7D-2 -0.00003 0.00001 0.00040 -0.00020 0.00033 128 8D 0 0.00076 -0.00036 0.00021 -0.00152 0.00012 129 8D+1 -0.00033 -0.00045 -0.00044 0.00049 -0.00085 130 8D-1 -0.00003 -0.00049 -0.00156 -0.00121 -0.00159 131 8D+2 -0.00037 -0.00047 -0.00027 0.00124 0.00030 132 8D-2 0.00026 -0.00025 -0.00130 0.00108 -0.00127 133 7 Cu 1S 0.00170 0.00162 0.00065 0.00162 0.00120 134 2S 0.00079 0.00126 0.00077 0.00121 0.00039 135 3S 0.00429 0.00669 -0.00326 0.00751 0.00154 136 4PX -0.00756 -0.00562 -0.00512 -0.01532 -0.01521 137 4PY -0.00079 -0.00007 -0.00416 -0.01861 -0.02741 138 4PZ -0.00036 0.00060 0.00289 0.01165 0.00810 139 5PX 0.00173 0.00299 -0.00006 -0.00048 -0.00184 140 5PY -0.00081 -0.00254 0.00172 0.00227 0.00053 141 5PZ 0.00274 -0.00036 -0.00005 0.00008 0.00001 142 6PX -0.00308 -0.00165 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5PY 0.00069 -0.00363 0.00215 -0.00019 0.00071 163 5PZ 0.00264 -0.00364 -0.00236 -0.00198 0.00038 164 9 O 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 165 2S -0.00001 0.00015 -0.00014 -0.00002 -0.00010 166 3S 0.00004 -0.00062 0.00067 0.00011 0.00045 167 4PX -0.00024 -0.00016 -0.00011 0.00010 0.00004 168 4PY 0.00005 -0.00011 0.00006 -0.00002 0.00009 169 4PZ 0.00017 -0.00021 -0.00014 -0.00010 0.00002 170 5PX 0.00118 0.00090 0.00067 -0.00077 -0.00027 171 5PY -0.00020 0.00127 -0.00030 0.00015 -0.00039 172 5PZ -0.00087 0.00099 0.00081 0.00065 -0.00014 16 17 18 19 20 O O O O O EIGENVALUES -- -2.80782 -2.80707 -2.80672 -2.80548 -2.80435 1 1 Cu 1S -0.00037 -0.00127 -0.00041 0.00008 0.00001 2 2S -0.00009 -0.00050 -0.00018 0.00052 0.00000 3 3S -0.00034 -0.00631 -0.00223 0.00778 0.00003 4 4PX -0.03503 -0.01608 -0.01943 -0.00699 0.00369 5 4PY 0.00147 -0.01693 -0.00339 -0.00293 -0.00045 6 4PZ 0.01154 -0.02705 0.00139 -0.00852 -0.00227 7 5PX 0.00202 -0.00099 0.00226 -0.00114 0.00000 8 5PY -0.00102 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18 8D 0 -0.00020 -0.00014 -0.00026 0.00032 -0.00006 19 8D+1 -0.00018 -0.00002 0.00006 -0.00011 0.00002 20 8D-1 -0.00012 0.00003 0.00002 0.00028 0.00008 21 8D+2 -0.00022 -0.00040 -0.00020 0.00000 0.00040 22 8D-2 -0.00004 0.00015 0.00006 -0.00011 0.00014 23 2 Cu 1S 0.00007 0.00024 0.00016 -0.00005 -0.00020 24 2S 0.00120 0.00006 0.00032 0.00172 -0.00001 25 3S 0.00305 -0.01105 0.00304 -0.01343 -0.00472 26 4PX -0.00059 -0.00263 0.00036 -0.00728 -0.00143 27 4PY -0.00858 -0.00165 0.00064 0.02771 0.00501 28 4PZ -0.01305 -0.00459 0.00092 0.00824 0.00172 29 5PX 0.00038 -0.00070 -0.00064 -0.00097 0.00044 30 5PY -0.00315 0.00102 -0.00126 -0.00097 0.00109 31 5PZ 0.00257 -0.00343 0.00172 -0.00077 -0.00059 32 6PX 0.00114 0.00236 -0.00062 0.00715 0.00062 33 6PY 0.00205 -0.00049 0.00082 0.00560 0.00365 34 6PZ -0.00376 0.00179 0.00000 -0.00039 0.00197 35 7D 0 -0.00020 0.00000 -0.00003 0.00022 0.00002 36 7D+1 -0.00002 0.00001 0.00003 -0.00001 0.00003 37 7D-1 -0.00007 0.00001 0.00003 -0.00010 -0.00004 38 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7D+1 -0.00013 0.00000 0.00001 0.00002 0.00005 59 7D-1 0.00001 0.00003 -0.00003 0.00000 0.00012 60 7D+2 -0.00013 -0.00001 -0.00001 -0.00011 0.00027 61 7D-2 -0.00003 0.00004 0.00002 0.00004 -0.00024 62 8D 0 -0.00049 -0.00020 0.00016 0.00030 -0.00120 63 8D+1 0.00097 0.00001 0.00002 -0.00019 -0.00018 64 8D-1 -0.00023 -0.00013 0.00048 -0.00003 -0.00062 65 8D+2 0.00094 0.00010 0.00023 0.00077 -0.00206 66 8D-2 -0.00020 -0.00022 0.00003 -0.00017 0.00138 67 4 Cu 1S -0.00017 0.00061 0.00042 -0.00033 -0.00045 68 2S -0.00129 0.00214 0.00148 -0.00096 -0.00132 69 3S 0.02563 -0.02384 -0.01622 0.00998 0.01352 70 4PX 0.00211 -0.00121 0.00656 0.00112 -0.00310 71 4PY 0.00545 0.00208 0.00032 -0.00145 -0.00133 72 4PZ 0.00183 0.00502 -0.00174 -0.00304 -0.00094 73 5PX 0.00136 -0.00069 -0.00396 -0.00254 0.00130 74 5PY -0.00745 -0.00179 -0.00086 -0.00011 -0.00082 75 5PZ 0.00373 -0.00397 -0.00005 0.00155 -0.00145 76 6PX -0.00244 0.00159 0.00290 -0.00409 -0.00374 77 6PY 0.00733 -0.00578 -0.00410 -0.00241 -0.00396 78 6PZ -0.00490 0.00533 0.00236 -0.00328 -0.00600 79 7D 0 -0.00020 -0.00027 0.00025 0.00019 -0.00006 80 7D+1 0.00000 0.00016 -0.00006 -0.00009 0.00000 81 7D-1 0.00012 -0.00013 0.00004 0.00008 0.00001 82 7D+2 -0.00028 -0.00007 -0.00033 -0.00002 0.00018 83 7D-2 0.00018 0.00004 -0.00003 -0.00003 0.00001 84 8D 0 0.00110 0.00167 -0.00144 -0.00108 0.00033 85 8D+1 0.00012 -0.00063 0.00058 0.00061 0.00011 86 8D-1 -0.00054 0.00059 -0.00021 -0.00021 0.00001 87 8D+2 0.00156 0.00031 0.00182 0.00004 -0.00101 88 8D-2 -0.00085 -0.00019 0.00003 0.00009 0.00021 89 5 Cu 1S -0.00045 -0.00014 0.00009 0.00028 -0.00071 90 2S -0.00089 0.00006 0.00015 0.00032 -0.00119 91 3S -0.01177 0.00623 0.00295 -0.00468 -0.00981 92 4PX 0.00488 0.56897 -0.10902 0.61630 0.11258 93 4PY 0.01061 -0.14969 0.03261 0.69399 0.12762 94 4PZ -0.00817 0.78084 -0.15591 -0.31495 -0.06060 95 5PX 0.00142 0.01108 -0.00152 0.01372 0.00477 96 5PY -0.00074 -0.00159 0.00070 0.01344 0.00172 97 5PZ -0.00368 0.01726 -0.00098 -0.00685 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-0.33138 137 4PY 0.01125 -0.03120 -0.16807 -0.15411 0.83724 138 4PZ 0.00070 0.16135 0.80772 -0.07480 0.38709 139 5PX -0.00404 0.00437 0.01158 -0.00108 -0.00846 140 5PY 0.00002 -0.00033 -0.00233 -0.00310 0.01675 141 5PZ 0.00014 0.00455 0.01569 -0.00026 0.00944 142 6PX -0.00073 -0.00213 -0.00382 -0.00427 0.00124 143 6PY -0.00322 0.00141 0.00188 0.00385 -0.00755 144 6PZ 0.00131 -0.00418 -0.00818 0.00134 -0.00354 145 7D 0 -0.00002 0.00031 0.00129 -0.00011 0.00062 146 7D+1 0.00002 -0.00026 -0.00096 0.00023 -0.00114 147 7D-1 0.00000 -0.00021 -0.00109 -0.00006 0.00034 148 7D+2 0.00007 -0.00026 -0.00114 -0.00026 0.00159 149 7D-2 -0.00005 -0.00007 -0.00039 0.00022 -0.00120 150 8D 0 0.00016 -0.00025 0.00041 -0.00018 0.00030 151 8D+1 -0.00020 0.00034 -0.00031 -0.00008 0.00017 152 8D-1 0.00005 -0.00008 -0.00023 0.00000 0.00012 153 8D+2 -0.00033 0.00021 -0.00023 -0.00028 0.00029 154 8D-2 0.00026 0.00002 0.00024 0.00003 -0.00010 155 8 C 1S 0.00012 -0.00002 -0.00001 0.00000 0.00000 156 2S 0.00157 0.00014 0.00016 -0.00017 -0.00030 157 3S -0.00998 0.00181 0.00091 -0.00068 -0.00068 158 4PX -0.00005 -0.00007 -0.00051 -0.00002 0.00028 159 4PY -0.00029 0.00010 0.00015 0.00002 -0.00002 160 4PZ -0.00002 -0.00058 -0.00006 0.00030 0.00019 161 5PX 0.00082 0.00009 0.00413 0.00090 -0.00230 162 5PY 0.00085 0.00168 0.00052 -0.00050 -0.00015 163 5PZ 0.00100 0.00360 -0.00033 -0.00233 -0.00077 164 9 O 1S -0.00003 -0.00001 -0.00001 0.00000 0.00001 165 2S -0.00065 -0.00027 -0.00022 0.00012 0.00019 166 3S 0.00288 0.00073 0.00065 -0.00023 -0.00044 167 4PX 0.00003 0.00000 0.00035 0.00003 -0.00021 168 4PY 0.00013 0.00016 0.00006 -0.00014 -0.00016 169 4PZ 0.00002 0.00030 -0.00004 -0.00020 -0.00010 170 5PX -0.00028 -0.00004 -0.00197 -0.00026 0.00116 171 5PY 0.00027 -0.00069 -0.00013 0.00065 0.00065 172 5PZ -0.00052 -0.00178 0.00014 0.00111 0.00047 31 32 33 34 35 O O O O O EIGENVALUES -- -1.17758 -0.58104 -0.48102 -0.47456 -0.46327 1 1 Cu 1S 0.00296 0.00158 0.00137 -0.00001 -0.00210 2 2S 0.00428 0.00695 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-0.00011 0.00175 23 2 Cu 1S 0.00148 0.00098 0.00083 -0.00012 -0.00217 24 2S 0.00134 0.00511 -0.01430 -0.00092 0.02609 25 3S 0.02244 -0.01644 -0.02030 -0.02714 0.04963 26 4PX -0.00020 0.00055 -0.00197 -0.00015 0.00378 27 4PY -0.00006 0.00106 -0.00288 -0.00032 0.00528 28 4PZ -0.00001 -0.00131 0.00319 0.00035 -0.00544 29 5PX 0.00022 -0.00162 0.00422 0.00162 -0.00500 30 5PY -0.00487 0.00174 0.00833 0.00442 -0.01713 31 5PZ 0.00672 0.00168 -0.00460 -0.00351 0.01456 32 6PX -0.00357 -0.00752 -0.00741 -0.00336 0.00422 33 6PY -0.00164 -0.01661 -0.01807 0.01375 -0.00096 34 6PZ 0.00423 -0.03084 -0.02566 -0.00597 0.01492 35 7D 0 0.00002 0.00099 -0.00333 -0.00034 0.00338 36 7D+1 -0.00018 -0.00176 0.00568 0.00016 -0.01086 37 7D-1 -0.00014 -0.00314 0.00787 0.00153 -0.01403 38 7D+2 -0.00007 -0.00112 0.00214 0.00109 -0.00395 39 7D-2 0.00016 0.00154 -0.00454 -0.00072 0.01027 40 8D 0 -0.00001 -0.00016 -0.00113 0.00017 0.00055 41 8D+1 0.00104 0.00006 0.00243 0.00006 -0.00422 42 8D-1 0.00045 0.00018 0.00227 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-0.00048 -0.00393 63 8D+1 0.00041 -0.00039 0.00051 0.00012 -0.00140 64 8D-1 -0.00053 0.00018 -0.00083 -0.00026 0.00231 65 8D+2 0.00029 0.00046 -0.00013 -0.00060 -0.00104 66 8D-2 0.00072 -0.00001 0.00319 -0.00039 -0.00472 67 4 Cu 1S 0.00113 -0.01109 0.00950 -0.00003 -0.00556 68 2S 0.01236 0.08215 -0.09529 0.00023 0.16039 69 3S -0.10763 -0.21510 0.06627 0.00070 -0.07464 70 4PX -0.00003 -0.01007 0.00575 -0.00742 -0.01628 71 4PY 0.00174 0.02636 -0.02887 0.00147 0.02840 72 4PZ -0.00046 -0.02044 0.01525 0.00541 -0.02943 73 5PX 0.00468 0.00095 -0.00238 -0.00037 0.02715 74 5PY -0.02865 -0.02573 0.02712 -0.00066 -0.04594 75 5PZ 0.01322 0.00787 -0.00931 -0.00018 0.04923 76 6PX 0.00035 0.03391 0.03762 0.04444 0.02224 77 6PY -0.03020 0.08680 0.10234 -0.01135 -0.07743 78 6PZ 0.00797 0.02633 0.02991 -0.03542 0.04971 79 7D 0 -0.00064 0.00312 0.02142 -0.04258 0.04292 80 7D+1 -0.00054 0.02648 -0.02180 0.02143 0.09954 81 7D-1 0.00011 -0.06563 0.10700 0.02550 -0.17579 82 7D+2 -0.00070 -0.03411 0.08659 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0.00172 -0.00467 103 7D-1 -0.00022 -0.00021 0.00080 -0.00347 0.00515 104 7D+2 -0.00004 -0.00019 0.00107 0.00001 -0.00109 105 7D-2 0.00005 -0.00054 0.00163 0.00043 -0.00552 106 8D 0 -0.00037 0.00057 -0.00188 0.00279 0.00138 107 8D+1 -0.00061 -0.00039 0.00050 0.00039 -0.00141 108 8D-1 0.00169 0.00038 0.00097 -0.00151 0.00190 109 8D+2 0.00024 -0.00031 0.00053 -0.00021 -0.00058 110 8D-2 -0.00050 -0.00062 0.00063 -0.00022 -0.00213 111 6 Cu 1S 0.00140 0.00079 0.00100 -0.00001 -0.00174 112 2S 0.00107 0.00464 -0.01171 0.00000 0.02431 113 3S -0.00767 -0.02033 0.00674 -0.00044 0.05831 114 4PX 0.00020 -0.00081 0.00214 -0.00003 -0.00446 115 4PY 0.00003 -0.00001 0.00028 0.00000 -0.00089 116 4PZ 0.00028 -0.00114 0.00298 0.00002 -0.00614 117 5PX 0.00013 0.00012 -0.00130 -0.00144 0.01393 118 5PY 0.00053 0.00646 0.00008 0.00024 -0.00802 119 5PZ 0.00000 -0.00119 -0.00173 0.00084 0.02164 120 6PX -0.00093 -0.00018 0.00533 -0.01267 0.00369 121 6PY -0.00189 -0.01574 -0.01203 0.00244 0.00594 122 6PZ -0.00108 0.00413 0.01028 0.00847 0.00377 123 7D 0 0.00011 0.00154 -0.00338 0.00046 0.00875 124 7D+1 0.00012 0.00253 -0.00600 -0.00017 0.01432 125 7D-1 0.00000 -0.00004 -0.00103 0.00034 0.00374 126 7D+2 0.00010 0.00085 -0.00195 -0.00043 0.00614 127 7D-2 -0.00002 -0.00002 -0.00082 -0.00034 0.00235 128 8D 0 -0.00059 -0.00023 -0.00102 0.00073 0.00334 129 8D+1 -0.00038 0.00050 -0.00176 -0.00034 0.00486 130 8D-1 0.00009 0.00093 -0.00114 -0.00002 0.00172 131 8D+2 -0.00068 -0.00040 -0.00094 -0.00039 0.00281 132 8D-2 0.00023 0.00086 -0.00071 0.00026 0.00089 133 7 Cu 1S 0.00101 -0.00014 0.00132 0.00035 -0.00106 134 2S 0.00134 0.00728 -0.01398 -0.00514 0.01866 135 3S 0.01888 0.07536 0.00034 -0.01026 -0.02567 136 4PX 0.00003 -0.00253 0.00398 0.00128 -0.00497 137 4PY 0.00005 0.00037 -0.00037 -0.00076 -0.00132 138 4PZ 0.00001 -0.00024 0.00014 0.00089 0.00056 139 5PX 0.00504 0.01838 -0.00401 -0.00911 -0.00038 140 5PY 0.00233 0.00182 0.00143 -0.00131 -0.00239 141 5PZ -0.00260 -0.00244 -0.00192 -0.00041 0.00584 142 6PX 0.00461 0.03077 0.00659 -0.00114 -0.01561 143 6PY 0.00667 -0.02267 -0.02349 -0.00003 0.01295 144 6PZ 0.00014 0.00728 0.00266 0.01265 -0.01138 145 7D 0 -0.00001 -0.00159 0.00385 -0.00011 -0.00419 146 7D+1 0.00014 0.00104 -0.00108 -0.00367 -0.00187 147 7D-1 -0.00006 -0.00084 0.00247 0.00128 -0.00346 148 7D+2 -0.00005 0.00261 -0.00458 -0.00098 0.00755 149 7D-2 -0.00021 -0.00102 0.00232 0.00338 0.00400 150 8D 0 -0.00010 -0.00050 0.00111 0.00064 -0.00128 151 8D+1 -0.00098 -0.00004 -0.00093 -0.00200 -0.00077 152 8D-1 0.00029 -0.00055 0.00132 0.00108 -0.00136 153 8D+2 0.00068 0.00063 -0.00123 -0.00146 0.00222 154 8D-2 0.00150 0.00031 0.00129 0.00172 0.00178 155 8 C 1S -0.11663 -0.16364 0.03254 -0.00009 -0.07893 156 2S 0.24181 0.38838 -0.05305 0.00021 0.15146 157 3S 0.06199 0.29959 -0.11768 -0.00010 0.22887 158 4PX 0.03155 -0.00952 0.24734 0.32165 0.04619 159 4PY -0.22144 -0.02695 -0.05428 -0.06051 0.46476 160 4PZ 0.09962 -0.00600 0.34878 -0.23775 -0.05617 161 5PX -0.00429 -0.01229 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5PY -0.00575 0.04916 0.00000 -0.00725 -0.00362 9 5PZ -0.01141 0.04364 0.00468 -0.00642 0.00506 10 6PX -0.00328 -0.01507 0.00743 -0.02359 0.01422 11 6PY -0.00563 -0.04658 -0.00057 0.00093 -0.00406 12 6PZ -0.00303 -0.01164 -0.00479 0.00100 -0.02192 13 7D 0 0.01853 0.00559 0.03131 0.00263 -0.05125 14 7D+1 0.07151 -0.09678 -0.00873 -0.04003 -0.02162 15 7D-1 0.07022 -0.12848 0.02301 0.03874 -0.06464 16 7D+2 0.00433 0.03406 -0.02619 -0.04992 0.03022 17 7D-2 0.05700 -0.11307 -0.01705 -0.06224 0.07126 18 8D 0 0.00613 0.00067 0.01100 0.00057 -0.01759 19 8D+1 0.02425 -0.03676 -0.00315 -0.01475 -0.00884 20 8D-1 0.02265 -0.04891 0.00726 0.01467 -0.02470 21 8D+2 0.00088 0.01052 -0.00877 -0.01742 0.01162 22 8D-2 0.01869 -0.04221 -0.00473 -0.02444 0.02720 23 2 Cu 1S -0.01405 0.00169 0.00039 0.00013 -0.00276 24 2S 0.22516 -0.06321 0.08595 0.02033 -0.01302 25 3S -0.04650 -0.07212 0.18329 0.02953 -0.12255 26 4PX 0.02760 -0.00260 0.00235 -0.01083 -0.00440 27 4PY 0.02478 0.00589 0.01851 0.00475 0.00259 28 4PZ -0.02372 0.02084 -0.00532 -0.00363 0.00584 29 5PX -0.03743 0.02337 -0.04646 0.01803 0.01064 30 5PY -0.01847 0.02145 -0.04403 -0.00677 0.02372 31 5PZ 0.01846 -0.02008 0.05019 0.00872 -0.02900 32 6PX 0.03213 0.02540 -0.04330 -0.01629 -0.01038 33 6PY 0.02906 0.03738 0.03620 -0.01101 0.02420 34 6PZ -0.03512 0.05867 0.00636 0.01089 0.01179 35 7D 0 -0.00939 -0.21329 -0.04329 0.04603 -0.06718 36 7D+1 -0.10828 0.07572 0.02299 0.12403 0.05116 37 7D-1 -0.03497 0.00831 -0.06826 -0.05947 0.04593 38 7D+2 -0.00817 -0.05550 -0.14333 -0.10602 -0.08620 39 7D-2 0.11468 0.06200 0.05120 -0.11099 -0.03245 40 8D 0 -0.00290 -0.07374 -0.01563 0.01562 -0.02376 41 8D+1 -0.03890 0.02690 0.00567 0.04585 0.01851 42 8D-1 -0.01140 0.00288 -0.02399 -0.02031 0.01607 43 8D+2 -0.00396 -0.01996 -0.04792 -0.03576 -0.02974 44 8D-2 0.04153 0.02064 0.01994 -0.04115 -0.01115 45 3 Cu 1S -0.01403 0.00167 -0.00061 -0.00266 0.00080 46 2S 0.22517 -0.06626 -0.08117 -0.00686 0.02452 47 3S -0.04486 -0.07897 -0.18154 -0.11021 0.06044 48 4PX -0.02583 0.02122 0.00101 0.00749 -0.00086 49 4PY 0.03298 0.00144 -0.01892 0.00183 0.00286 50 4PZ 0.01370 0.00407 0.00202 -0.00507 -0.01113 51 5PX 0.02548 -0.02344 -0.05190 -0.02399 0.00791 52 5PY -0.02826 0.03066 0.05789 0.02703 -0.01178 53 5PZ -0.02547 0.01243 0.01858 0.00076 0.02030 54 6PX -0.03639 0.05149 -0.02823 0.02182 0.00815 55 6PY 0.03942 0.03080 -0.02607 0.01582 -0.01978 56 6PZ 0.01295 0.04089 0.04146 -0.01136 -0.00827 57 7D 0 -0.08700 0.05810 0.07950 -0.00773 0.00811 58 7D+1 -0.05473 -0.03557 -0.04390 0.04261 0.11873 59 7D-1 0.09108 0.05237 0.02003 -0.07224 -0.15107 60 7D+2 -0.02339 -0.20700 0.14854 -0.09247 -0.02113 61 7D-2 -0.08273 0.07009 0.01907 0.09979 0.00074 62 8D 0 -0.03227 0.02014 0.02794 -0.00133 0.00557 63 8D+1 -0.01914 -0.01167 -0.01324 0.01525 0.04209 64 8D-1 0.03308 0.01703 0.00442 -0.02529 -0.05435 65 8D+2 -0.00827 -0.07188 0.05114 -0.03239 -0.00697 66 8D-2 -0.02859 0.02490 0.00839 0.03528 0.00152 67 4 Cu 1S -0.00556 0.00025 -0.00002 -0.00141 -0.00114 68 2S 0.17897 -0.03574 0.00249 0.11596 0.09153 69 3S 0.07661 0.01886 -0.00089 -0.01367 -0.01103 70 4PX 0.02692 0.00475 -0.01506 0.00100 -0.00388 71 4PY -0.04650 0.01860 0.00169 0.00855 0.00739 72 4PZ 0.04844 0.00344 0.01074 -0.00570 -0.00148 73 5PX -0.06372 0.00843 -0.00636 0.00948 -0.00775 74 5PY 0.11666 -0.01224 0.00185 0.00382 0.00543 75 5PZ -0.11629 0.01502 0.00315 -0.00313 0.00886 76 6PX 0.01454 -0.00786 -0.00864 0.05572 -0.03100 77 6PY 0.02031 0.00117 0.00065 0.00480 0.01510 78 6PZ 0.01546 -0.01187 0.00643 -0.00160 0.05134 79 7D 0 0.04672 0.39591 0.48772 -0.23710 0.13443 80 7D+1 0.03735 0.19671 -0.24734 -0.40138 -0.37836 81 7D-1 0.00664 -0.03845 -0.13654 -0.05248 0.50281 82 7D+2 0.05884 0.48162 -0.20636 0.42892 -0.06933 83 7D-2 -0.01206 -0.15185 0.33160 0.36014 -0.39081 84 8D 0 0.01585 0.12928 0.15845 -0.07429 0.04130 85 8D+1 0.01507 0.06402 -0.08048 -0.12929 -0.12048 86 8D-1 -0.00318 -0.00970 -0.04570 -0.01417 0.16259 87 8D+2 0.01651 0.15832 -0.06655 0.13763 -0.02013 88 8D-2 -0.00661 -0.04783 0.10928 0.11668 -0.12412 89 5 Cu 1S -0.01025 -0.00097 -0.00287 0.00043 0.00238 90 2S 0.12746 0.02813 0.08151 0.03833 0.09185 91 3S 0.04119 0.01078 0.05122 0.03160 0.20685 92 4PX 0.01640 0.00638 0.00936 -0.00300 0.00553 93 4PY -0.02022 -0.00513 -0.01547 -0.00459 -0.00438 94 4PZ -0.01355 -0.00354 -0.01055 -0.00630 -0.01680 95 5PX -0.01477 -0.00383 -0.03661 0.00248 -0.02978 96 5PY 0.01755 0.02551 0.03559 0.01384 0.03041 97 5PZ 0.01362 0.01246 0.02858 0.01329 0.06407 98 6PX -0.00199 0.00405 0.02413 -0.02733 -0.00288 99 6PY -0.01165 -0.01965 -0.01657 -0.00784 0.01651 100 6PZ 0.00827 -0.02453 -0.02606 -0.00714 -0.00451 101 7D 0 -0.02524 -0.01057 -0.00651 0.04294 0.13270 102 7D+1 -0.06221 -0.04197 -0.06764 0.05109 -0.05656 103 7D-1 0.07766 0.04780 0.11377 0.05691 0.02766 104 7D+2 -0.01682 0.01472 -0.04206 -0.03764 -0.00052 105 7D-2 -0.08882 -0.05453 -0.07963 0.03378 -0.01956 106 8D 0 -0.00768 -0.00465 -0.00423 0.01501 0.04613 107 8D+1 -0.02137 -0.01472 -0.02643 0.02042 -0.01944 108 8D-1 0.02601 0.02021 0.04275 0.02142 0.00919 109 8D+2 -0.00575 0.00434 -0.01507 -0.01310 -0.00049 110 8D-2 -0.03092 -0.02129 -0.03090 0.01236 -0.00798 111 6 Cu 1S -0.01378 0.00168 -0.00011 -0.00281 -0.00223 112 2S 0.22778 0.05908 -0.00065 -0.00609 -0.00587 113 3S -0.01960 0.19611 -0.00544 -0.11342 -0.09262 114 4PX -0.02618 -0.00737 -0.01518 0.00556 -0.00229 115 4PY -0.01287 0.00247 0.00230 0.00467 0.00469 116 4PZ -0.03448 -0.01022 0.01091 -0.00060 0.00447 117 5PX 0.02718 0.04764 -0.01077 -0.02180 -0.01900 118 5PY 0.02494 0.01919 0.00109 0.00225 0.00177 119 5PZ 0.03327 0.06394 0.00495 -0.03279 -0.02589 120 6PX -0.02800 0.00005 -0.04399 0.00460 -0.00662 121 6PY -0.00854 0.05332 0.00612 0.02359 0.01982 122 6PZ -0.03813 -0.00893 0.03082 -0.00999 -0.00098 123 7D 0 0.06484 0.05010 -0.18168 0.05130 -0.06862 124 7D+1 0.09284 0.04671 0.07122 -0.08544 -0.02172 125 7D-1 0.07941 -0.02011 -0.03542 -0.05874 -0.04692 126 7D+2 0.06897 0.05639 0.10910 -0.01248 0.04688 127 7D-2 0.04566 -0.02582 0.00239 -0.04189 -0.05998 128 8D 0 0.02292 0.01867 -0.06229 0.01681 -0.02500 129 8D+1 0.03171 0.01918 0.02429 -0.03103 -0.00852 130 8D-1 0.02901 -0.00403 -0.01233 -0.02037 -0.01659 131 8D+2 0.02537 0.02060 0.03737 -0.00557 0.01563 132 8D-2 0.01637 -0.00684 0.00091 -0.01460 -0.02057 133 7 Cu 1S -0.01026 -0.00088 0.00289 0.00232 -0.00014 134 2S 0.12762 0.02412 -0.08015 0.10040 0.01720 135 3S 0.04168 0.00733 -0.04844 0.20906 -0.01516 136 4PX -0.02184 -0.00552 0.01564 -0.01952 -0.00161 137 4PY -0.01447 -0.00271 0.01159 -0.00192 -0.00408 138 4PZ 0.01342 0.00506 -0.00742 -0.00086 -0.00419 139 5PX 0.02117 0.01545 -0.04470 0.07710 -0.00266 140 5PY 0.01217 0.02122 -0.02364 0.01752 0.00891 141 5PZ -0.01151 -0.00142 0.02907 -0.00890 0.00668 142 6PX 0.00550 -0.02577 0.03597 -0.00080 0.00053 143 6PY -0.01263 -0.01516 0.00852 0.01237 -0.01558 144 6PZ 0.00296 -0.00265 -0.01626 -0.01214 -0.02409 145 7D 0 -0.02541 0.00197 0.05631 -0.07696 -0.00895 146 7D+1 -0.08189 -0.05353 0.07167 0.03977 0.06905 147 7D-1 -0.04934 -0.02042 0.03864 -0.00902 0.03287 148 7D+2 0.03800 0.03682 -0.04982 0.12591 -0.02013 149 7D-2 0.08759 0.04020 -0.11758 0.00109 0.05622 150 8D 0 -0.00891 0.00062 0.02047 -0.02630 -0.00203 151 8D+1 -0.02764 -0.01960 0.02909 0.01420 0.02597 152 8D-1 -0.01763 -0.00794 0.01496 -0.00423 0.01263 153 8D+2 0.01371 0.01346 -0.01835 0.04363 -0.00726 154 8D-2 0.02941 0.01794 -0.04456 0.00097 0.02138 155 8 C 1S 0.03548 -0.00382 0.00023 -0.01477 -0.01178 156 2S -0.08300 0.01269 -0.00075 0.02821 0.02255 157 3S -0.07693 -0.00221 0.00021 0.07798 0.06186 158 4PX 0.01539 0.01134 -0.02057 -0.01121 0.00430 159 4PY -0.11367 0.02159 0.00247 0.04841 0.03635 160 4PZ 0.05005 0.01208 0.01390 -0.01452 -0.02061 161 5PX 0.00434 0.01245 -0.02234 -0.00981 0.00598 162 5PY -0.01039 0.01896 0.00295 0.00670 0.00319 163 5PZ 0.00836 0.01455 0.01505 -0.00139 -0.01091 164 9 O 1S -0.00214 -0.00015 0.00001 0.00263 0.00208 165 2S 0.01145 -0.00056 0.00004 -0.00829 -0.00654 166 3S -0.01393 0.00915 -0.00057 -0.01019 -0.00800 167 4PX -0.00546 -0.05299 0.07615 0.03408 -0.02357 168 4PY 0.07129 -0.03518 -0.01185 -0.04250 -0.02536 169 4PZ -0.02568 -0.07174 -0.04984 0.00640 0.03915 170 5PX -0.00438 -0.02920 0.04469 0.01732 -0.01230 171 5PY 0.01362 -0.02084 -0.00698 -0.01595 -0.00827 172 5PZ -0.00939 -0.03945 -0.02945 0.00155 0.01890 41 42 43 44 45 O O O O O EIGENVALUES -- -0.32515 -0.31169 -0.30878 -0.30843 -0.30755 1 1 Cu 1S 0.00411 0.00320 -0.00104 0.00006 -0.00228 2 2S 0.05254 0.06058 -0.02305 0.00119 0.04294 3 3S 0.19898 0.16103 -0.05927 0.00320 -0.00050 4 4PX 0.00039 0.00830 -0.00094 0.00670 0.00570 5 4PY 0.01104 -0.00448 0.00478 -0.00117 0.00145 6 4PZ -0.00182 0.01311 -0.00274 -0.00439 0.00778 7 5PX -0.01901 -0.03903 0.00622 -0.02143 -0.00634 8 5PY -0.05754 -0.00727 0.01242 0.00283 -0.02290 9 5PZ -0.01464 -0.05477 0.00744 0.01384 -0.00403 10 6PX -0.01789 -0.00363 0.01307 0.01494 0.01650 11 6PY -0.00989 -0.02090 0.02355 -0.00313 0.02756 12 6PZ -0.02388 -0.00009 0.01268 -0.01079 0.01786 13 7D 0 -0.07329 0.14982 -0.04077 -0.10761 0.11746 14 7D+1 -0.02986 0.14800 0.03580 0.04978 0.18779 15 7D-1 -0.02873 -0.01793 0.08932 -0.00547 -0.00309 16 7D+2 -0.11027 0.13562 -0.05675 0.06200 0.06733 17 7D-2 0.01049 -0.03951 0.08550 -0.02713 -0.00226 18 8D 0 -0.02603 0.05176 -0.01317 -0.03706 0.03966 19 8D+1 -0.01064 0.05406 0.01481 0.01725 0.06763 20 8D-1 -0.01132 -0.00668 0.03011 -0.00118 -0.00015 21 8D+2 -0.03945 0.04479 -0.01998 0.02100 0.02015 22 8D-2 0.00301 -0.01302 0.02937 -0.01032 0.00113 23 2 Cu 1S -0.00231 0.00105 -0.00177 -0.00158 0.00111 24 2S -0.03031 0.03379 -0.08681 -0.07160 0.04323 25 3S -0.14570 -0.06527 -0.09798 -0.14151 0.10012 26 4PX -0.00554 -0.00442 -0.01520 -0.00517 0.00553 27 4PY -0.00299 -0.00234 0.00046 -0.01051 -0.01117 28 4PZ 0.00455 -0.00163 -0.00547 -0.00304 -0.01273 29 5PX 0.01956 -0.00498 0.03420 0.04223 -0.03061 30 5PY 0.03013 0.00636 0.03465 0.03048 0.00892 31 5PZ -0.03034 -0.00716 -0.02949 -0.01025 0.03586 32 6PX -0.00614 -0.02509 -0.00773 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0.00436 -0.00279 -0.00398 -0.00745 93 4PY 0.00177 -0.01034 0.00405 0.01037 0.00276 94 4PZ -0.00399 0.00633 -0.00454 -0.00068 -0.00235 95 5PX -0.01841 -0.02661 0.00719 0.00180 0.01917 96 5PY 0.00374 0.04712 -0.00690 -0.01608 0.00197 97 5PZ 0.00734 -0.00419 -0.01154 -0.01325 0.00036 98 6PX 0.01446 -0.00818 0.00552 -0.00848 -0.01753 99 6PY 0.01384 0.00387 -0.00293 0.01794 0.00512 100 6PZ -0.00320 0.02937 -0.02432 0.03006 0.01563 101 7D 0 -0.00827 -0.14464 0.06706 0.14784 0.08794 102 7D+1 -0.09063 0.05647 -0.09247 -0.00306 -0.04643 103 7D-1 -0.04941 -0.05360 0.09846 0.02977 0.00016 104 7D+2 0.07696 -0.07064 0.01706 0.09970 -0.01592 105 7D-2 -0.00939 -0.08708 0.01811 0.16201 0.15756 106 8D 0 -0.00446 -0.04862 0.02254 0.04876 0.02788 107 8D+1 -0.03397 0.01943 -0.03192 0.00102 -0.01629 108 8D-1 -0.01799 -0.01951 0.03277 0.01001 -0.00034 109 8D+2 0.02709 -0.02496 0.00551 0.03509 -0.00447 110 8D-2 -0.00287 -0.03199 0.00484 0.05874 0.05697 111 6 Cu 1S 0.00137 0.00046 -0.00089 0.00001 -0.00153 112 2S 0.05116 0.01043 -0.11174 0.00315 -0.06698 113 3S 0.11726 -0.10471 -0.11636 0.00134 -0.14293 114 4PX -0.00294 0.00258 0.00511 0.01848 0.00439 115 4PY 0.01101 0.00531 0.01727 -0.00318 0.00209 116 4PZ -0.00651 0.00303 0.00261 -0.01314 0.00577 117 5PX 0.02189 -0.01145 -0.04001 -0.03206 -0.02396 118 5PY -0.00599 -0.00382 -0.03193 0.00553 -0.03156 119 5PZ 0.03213 -0.01583 -0.04819 0.02423 -0.02713 120 6PX 0.01432 0.00098 -0.00225 0.05499 -0.00069 121 6PY 0.02259 0.01690 0.02118 -0.00879 -0.01759 122 6PZ 0.01604 -0.00017 -0.01108 -0.03845 0.00305 123 7D 0 0.03355 0.03071 0.20715 0.27798 -0.01683 124 7D+1 -0.00485 -0.24427 0.20797 -0.10293 0.17742 125 7D-1 -0.15258 -0.07805 -0.19360 0.18870 -0.08965 126 7D+2 0.01168 0.19863 0.12520 -0.22784 -0.17404 127 7D-2 -0.11405 -0.14024 -0.16348 -0.18087 0.01023 128 8D 0 0.01098 0.01103 0.06811 0.09277 -0.00702 129 8D+1 -0.00123 -0.08501 0.06760 -0.03412 0.05925 130 8D-1 -0.05421 -0.02581 -0.06448 0.06436 -0.03210 131 8D+2 0.00231 0.06996 0.04133 -0.07653 -0.06109 132 8D-2 -0.03990 -0.04811 -0.05462 -0.06230 0.00277 133 7 Cu 1S -0.00035 0.00396 -0.00037 -0.00153 0.00032 134 2S 0.03937 0.03979 -0.03240 0.04287 -0.01722 135 3S 0.01401 0.13651 -0.05182 0.00398 0.00212 136 4PX -0.00627 0.00255 -0.00263 -0.00243 0.00067 137 4PY 0.00412 -0.00965 0.00352 -0.00978 0.00164 138 4PZ 0.00700 0.00756 -0.00443 0.00588 -0.00807 139 5PX 0.01322 0.01333 -0.01312 0.01673 -0.00533 140 5PY -0.00100 0.04007 -0.00276 0.01450 0.00543 141 5PZ -0.01517 -0.03256 0.00352 -0.00042 0.01743 142 6PX -0.00475 0.03146 -0.02666 -0.03227 0.02129 143 6PY 0.01669 -0.00172 0.00147 -0.01112 -0.00080 144 6PZ 0.01045 0.00239 -0.00318 0.00013 -0.01098 145 7D 0 0.01469 0.05117 -0.07159 0.02222 -0.10023 146 7D+1 -0.09217 -0.03419 -0.04306 -0.08816 0.05399 147 7D-1 0.00558 -0.10497 0.04841 -0.17703 0.12710 148 7D+2 0.04095 -0.14412 0.10154 -0.13368 0.03080 149 7D-2 -0.07874 0.03714 0.04407 0.07520 -0.06899 150 8D 0 0.00448 0.01734 -0.02447 0.00588 -0.03378 151 8D+1 -0.03472 -0.01131 -0.01537 -0.03115 0.01739 152 8D-1 0.00239 -0.03850 0.01485 -0.06371 0.04651 153 8D+2 0.01353 -0.04895 0.03456 -0.04341 0.00858 154 8D-2 -0.02846 0.01229 0.01480 0.02610 -0.02462 155 8 C 1S -0.01485 0.00160 0.01341 -0.00017 -0.00614 156 2S 0.03040 -0.00226 -0.03640 0.00051 0.01634 157 3S 0.06213 -0.01090 0.00928 -0.00050 0.00444 158 4PX 0.00137 0.00217 0.00534 -0.01316 0.01095 159 4PY 0.05174 -0.00396 -0.04140 0.00278 0.02891 160 4PZ -0.01121 0.00383 0.01868 0.00888 0.00892 161 5PX 0.00479 0.00687 -0.00961 -0.02134 0.01561 162 5PY 0.01788 -0.00742 0.03809 0.00237 0.01825 163 5PZ 0.00245 0.01103 -0.02162 0.01584 0.01828 164 9 O 1S 0.00246 -0.00044 -0.00254 0.00005 0.00076 165 2S -0.00871 0.00253 0.00584 -0.00003 -0.00355 166 3S -0.00318 -0.00261 0.01681 -0.00067 0.00500 167 4PX -0.00662 -0.00787 -0.00577 0.03130 -0.02793 168 4PY -0.04374 0.00397 0.02738 -0.00577 -0.03064 169 4PZ 0.00230 -0.01143 -0.01668 -0.02164 -0.03348 170 5PX -0.00585 -0.00493 -0.00109 0.02261 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-0.01555 0.07819 -0.06820 0.02696 0.05342 18 8D 0 0.08878 -0.04406 0.04636 -0.07997 -0.00937 19 8D+1 -0.03384 0.01781 -0.01604 0.03309 -0.03634 20 8D-1 0.05823 0.02094 0.02522 -0.02317 0.04477 21 8D+2 -0.01957 0.08090 -0.03654 0.04896 0.02940 22 8D-2 -0.00381 0.02805 -0.02444 0.00857 0.01891 23 2 Cu 1S 0.00084 -0.00279 -0.00069 0.00039 -0.00336 24 2S 0.02210 -0.04089 -0.01990 -0.04081 0.07880 25 3S 0.05238 -0.13136 -0.04321 0.02706 0.06184 26 4PX -0.00025 -0.00070 0.00048 0.00548 0.00465 27 4PY -0.00423 -0.00147 -0.00895 -0.00562 0.00357 28 4PZ -0.00574 0.00096 -0.00606 0.00448 -0.00421 29 5PX -0.00544 0.01999 0.00504 -0.01440 -0.00953 30 5PY -0.00056 0.00310 0.03494 0.00041 -0.01169 31 5PZ 0.00894 -0.01324 0.02346 -0.02122 0.01168 32 6PX -0.00100 0.00637 0.00259 0.01949 -0.01134 33 6PY -0.07342 0.01409 -0.01731 -0.01574 0.00178 34 6PZ -0.04801 -0.03241 -0.02868 0.02086 -0.00065 35 7D 0 0.41638 0.10361 0.21528 -0.15368 -0.00800 36 7D+1 0.25173 -0.00126 0.04448 -0.00598 0.30643 37 7D-1 0.07333 -0.09174 -0.03290 -0.16822 -0.13108 38 7D+2 0.20979 0.09232 0.16925 0.28340 0.02942 39 7D-2 0.14890 0.13957 0.14328 0.25070 -0.27481 40 8D 0 0.13944 0.03502 0.06986 -0.05006 -0.00365 41 8D+1 0.08478 -0.00046 0.01408 -0.00121 0.10318 42 8D-1 0.02471 -0.03178 -0.01096 -0.05437 -0.04422 43 8D+2 0.07024 0.03097 0.05513 0.09117 0.01150 44 8D-2 0.04981 0.04777 0.04668 0.08138 -0.09285 45 3 Cu 1S -0.00290 0.00013 0.00076 -0.00020 -0.00340 46 2S -0.04438 0.01192 0.02089 0.03579 0.08023 47 3S -0.13866 0.01937 0.04673 -0.02957 0.05727 48 4PX 0.00241 -0.00543 0.00758 -0.00068 -0.00461 49 4PY -0.00062 -0.00344 0.00781 0.00475 0.00511 50 4PZ 0.00026 -0.00160 0.00044 -0.00719 0.00191 51 5PX -0.02044 0.00444 -0.02663 0.01473 0.01184 52 5PY 0.00853 -0.00148 -0.03187 0.00084 -0.01405 53 5PZ 0.01330 0.00143 -0.00837 0.02011 -0.00179 54 6PX -0.01221 -0.06283 0.03309 -0.00990 0.00273 55 6PY 0.03566 -0.05726 0.01293 0.01344 0.00074 56 6PZ -0.00460 -0.00852 0.00553 -0.02620 -0.01233 57 7D 0 -0.02106 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0.03143 0.02800 -0.00362 -0.00366 0.04939 78 6PZ 0.04283 -0.00825 -0.01329 -0.01367 -0.02917 79 7D 0 0.20950 -0.01515 0.00486 0.01681 0.06061 80 7D+1 -0.07505 0.01515 -0.00367 -0.02639 0.15856 81 7D-1 0.02364 -0.04186 -0.00971 -0.06029 -0.18254 82 7D+2 0.04136 0.23101 -0.00036 0.01854 -0.05999 83 7D-2 -0.06280 -0.05438 0.01656 0.09613 -0.09288 84 8D 0 0.06384 -0.00451 0.00190 0.00660 0.01760 85 8D+1 -0.02315 0.00438 -0.00127 -0.00859 0.04722 86 8D-1 0.00732 -0.01139 -0.00297 -0.01803 -0.05687 87 8D+2 0.01330 0.07071 -0.00031 0.00470 -0.01954 88 8D-2 -0.01806 -0.01672 0.00515 0.02925 -0.02888 89 5 Cu 1S -0.00208 0.00041 0.00088 0.00056 -0.00171 90 2S -0.02818 0.00459 -0.00389 -0.07820 0.02348 91 3S -0.09941 0.01884 0.01756 -0.10832 0.00771 92 4PX -0.00108 0.00655 0.00715 -0.00499 0.00117 93 4PY 0.00513 0.00367 0.00555 0.00850 -0.00299 94 4PZ 0.00170 0.00112 0.00144 0.00252 -0.00060 95 5PX 0.01057 -0.01543 -0.01260 0.02532 -0.00259 96 5PY -0.01903 -0.00526 -0.00673 -0.02780 -0.00801 97 5PZ -0.01437 0.00069 -0.00061 -0.00863 0.01384 98 6PX 0.01162 0.00251 0.00579 -0.00493 0.00596 99 6PY -0.02248 0.00785 0.01595 -0.00075 -0.01647 100 6PZ 0.03399 -0.00352 -0.00702 -0.01748 0.01597 101 7D 0 0.18496 -0.03081 -0.03514 0.13672 -0.13284 102 7D+1 0.01211 0.01224 -0.05234 -0.04421 0.00437 103 7D-1 -0.11393 -0.02721 -0.07572 -0.02061 0.13120 104 7D+2 0.07423 0.23805 0.34755 0.08114 0.00347 105 7D-2 0.00110 -0.08903 -0.11639 -0.04756 0.10094 106 8D 0 0.06218 -0.01025 -0.01224 0.04611 -0.04432 107 8D+1 0.00584 0.00481 -0.01874 -0.01503 -0.00013 108 8D-1 -0.04173 -0.00828 -0.02569 -0.00638 0.04623 109 8D+2 0.02421 0.08097 0.11723 0.02647 0.00267 110 8D-2 -0.00069 -0.03024 -0.03890 -0.01658 0.03642 111 6 Cu 1S 0.00168 0.00215 -0.00006 0.00010 -0.00389 112 2S 0.02911 0.03825 -0.00108 0.00059 0.05696 113 3S 0.08408 0.10872 -0.00348 -0.00027 -0.00002 114 4PX 0.00110 -0.00207 -0.00872 0.00604 -0.00186 115 4PY -0.00047 0.00001 0.00135 -0.00054 -0.00386 116 4PZ -0.00175 0.00014 0.00621 -0.00440 -0.00219 117 5PX 0.01570 0.00292 0.03433 0.00346 0.00022 118 5PY 0.00850 0.01335 -0.00570 -0.00120 0.00615 119 5PZ 0.00144 0.01437 -0.02470 -0.00172 -0.00128 120 6PX 0.04644 -0.01245 -0.04962 0.00631 -0.00236 121 6PY -0.00540 0.00388 0.00753 0.00022 -0.00295 122 6PZ -0.00654 0.04280 0.03396 -0.00482 -0.00337 123 7D 0 0.13376 -0.18362 -0.24596 0.00184 -0.12303 124 7D+1 -0.17760 -0.03857 0.13282 -0.04309 -0.02958 125 7D-1 -0.16034 0.05264 0.15335 -0.23154 -0.19040 126 7D+2 -0.04766 0.01206 0.06456 0.11406 -0.23445 127 7D-2 0.18760 -0.21646 -0.27490 0.31198 -0.05068 128 8D 0 0.04470 -0.06253 -0.08143 -0.00054 -0.04312 129 8D+1 -0.06106 -0.01433 0.04402 -0.01358 -0.01047 130 8D-1 -0.05475 0.01759 0.05076 -0.07592 -0.06482 131 8D+2 -0.01606 0.00383 0.02140 0.03823 -0.08160 132 8D-2 0.06347 -0.07374 -0.09097 0.10216 -0.01695 133 7 Cu 1S 0.00088 -0.00195 -0.00082 -0.00046 -0.00167 134 2S 0.01110 -0.02549 0.00440 0.08040 0.02752 135 3S 0.04206 -0.09189 -0.01532 0.11248 0.01795 136 4PX -0.00100 0.00267 -0.00020 -0.00572 -0.00168 137 4PY 0.00327 0.00535 -0.00685 -0.00688 -0.00301 138 4PZ 0.00580 0.00022 -0.00650 0.00534 0.00166 139 5PX 0.00922 -0.01860 -0.00176 0.02184 0.01392 140 5PY -0.00427 -0.01578 0.00968 0.02248 -0.00840 141 5PZ -0.01432 0.00434 0.01115 -0.02539 0.00187 142 6PX -0.00820 0.02221 0.00485 0.01493 0.01110 143 6PY 0.01441 -0.02196 -0.01724 -0.00047 -0.01668 144 6PZ -0.00624 0.02559 -0.00143 0.00982 0.01391 145 7D 0 0.19580 0.05755 -0.27469 0.01202 0.01451 146 7D+1 -0.10658 0.07852 0.17315 -0.01517 -0.05918 147 7D-1 0.00046 -0.03090 0.01064 0.01980 0.14723 148 7D+2 0.06366 0.14895 -0.16736 -0.15050 -0.09397 149 7D-2 -0.00665 -0.16087 0.13195 0.05670 0.11846 150 8D 0 0.06661 0.02055 -0.09215 0.00468 0.00426 151 8D+1 -0.03597 0.02794 0.05930 -0.00499 -0.02085 152 8D-1 0.00106 -0.01271 0.00329 0.00702 0.05301 153 8D+2 0.02249 0.04869 -0.05631 -0.05080 -0.03018 154 8D-2 -0.00097 -0.05592 0.04490 0.01830 0.04013 155 8 C 1S -0.00051 -0.00070 0.00000 -0.00042 0.01786 156 2S 0.00043 0.00052 0.00002 0.00082 -0.03204 157 3S 0.00612 0.00858 -0.00010 0.00180 -0.09495 158 4PX -0.00040 0.01190 -0.00172 -0.00934 0.00432 159 4PY 0.00662 0.00641 0.00023 0.00253 -0.04847 160 4PZ 0.01131 0.00561 0.00102 0.00548 0.01847 161 5PX 0.00402 -0.00182 -0.00255 -0.00153 0.01040 162 5PY 0.00028 0.00104 0.00040 0.00063 -0.02873 163 5PZ -0.00128 0.00307 0.00183 0.00041 0.02140 164 9 O 1S 0.00002 0.00004 0.00000 0.00010 -0.00324 165 2S 0.00047 0.00064 -0.00002 -0.00034 0.01113 166 3S -0.00159 -0.00244 0.00000 -0.00020 0.00516 167 4PX -0.00164 -0.02093 0.00415 0.01922 -0.00494 168 4PY -0.00885 -0.00798 -0.00062 -0.00388 0.03726 169 4PZ -0.02104 -0.01323 -0.00256 -0.01176 -0.01666 170 5PX -0.00130 -0.00984 0.00268 0.01007 -0.00404 171 5PY -0.00585 -0.00612 -0.00037 -0.00174 0.01216 172 5PZ -0.00962 -0.00626 -0.00173 -0.00618 -0.00886 51 52 53 54 55 O O O O O EIGENVALUES -- -0.28606 -0.27998 -0.27952 -0.27385 -0.27209 1 1 Cu 1S -0.00090 0.00002 -0.00251 0.00001 -0.00019 2 2S 0.08799 -0.00044 0.02014 -0.00015 0.00219 3 3S 0.11103 0.00096 -0.10640 0.00030 0.00170 4 4PX 0.00651 0.00283 0.00007 0.00275 0.00057 5 4PY 0.00423 -0.00055 0.00706 -0.00042 0.00028 6 4PZ 0.00808 -0.00197 -0.00155 -0.00197 0.00055 7 5PX -0.02286 0.01162 0.00990 -0.00989 -0.00024 8 5PY -0.01536 -0.00206 0.02277 0.00178 -0.01220 9 5PZ -0.02974 -0.00816 0.00854 0.00677 0.00272 10 6PX 0.00531 0.00732 0.01064 0.01135 -0.00249 11 6PY -0.02033 -0.00168 0.01676 -0.00195 0.00487 12 6PZ 0.01229 -0.00490 0.01167 -0.00777 -0.00527 13 7D 0 0.05978 0.00313 -0.15645 -0.00338 -0.03445 14 7D+1 -0.01619 -0.03172 0.00154 0.01274 -0.27723 15 7D-1 0.02343 -0.19507 0.10187 0.02340 0.17463 16 7D+2 0.14224 0.08799 -0.22268 -0.01716 0.18744 17 7D-2 -0.02473 0.27069 0.15021 -0.04114 0.03701 18 8D 0 0.02011 0.00124 -0.05166 -0.00145 -0.01211 19 8D+1 -0.00593 -0.01072 0.00085 0.00435 -0.09371 20 8D-1 0.00729 -0.06510 0.03481 0.00729 0.05787 21 8D+2 0.04787 0.02925 -0.07339 -0.00533 0.06224 22 8D-2 -0.00885 0.09043 0.05045 -0.01307 0.01205 23 2 Cu 1S 0.00048 -0.00069 0.00078 0.00124 -0.00024 24 2S 0.01535 -0.04222 0.01185 -0.00804 0.00244 25 3S 0.00274 -0.14361 0.06119 -0.01466 0.03439 26 4PX -0.00347 -0.00221 0.00090 0.00410 -0.00280 27 4PY -0.00242 -0.00446 0.00611 -0.00643 0.00387 28 4PZ -0.00798 0.00708 0.00141 0.00434 -0.00299 29 5PX 0.00767 0.03369 -0.01892 -0.02206 0.01213 30 5PY -0.01373 0.01360 -0.03091 0.03320 -0.02492 31 5PZ 0.00318 -0.03783 -0.01735 -0.02749 0.01728 32 6PX -0.00982 0.01227 -0.00674 -0.01509 0.00898 33 6PY 0.01075 0.01811 0.00387 0.00662 -0.01466 34 6PZ -0.00656 -0.01178 0.01914 -0.01664 0.00857 35 7D 0 0.12137 0.03258 0.09350 0.21903 -0.02492 36 7D+1 0.23062 -0.25315 -0.03169 -0.25282 0.07379 37 7D-1 0.11022 0.28647 -0.13517 -0.18458 0.07197 38 7D+2 -0.11658 0.04651 0.02885 -0.29975 0.21058 39 7D-2 0.15045 0.12438 -0.13012 0.24868 -0.17856 40 8D 0 0.03784 0.00940 0.03002 0.07049 -0.00797 41 8D+1 0.07469 -0.08100 -0.01076 -0.08112 0.02482 42 8D-1 0.03561 0.09630 -0.04480 -0.06054 0.02344 43 8D+2 -0.03820 0.01530 0.00831 -0.09647 0.06750 44 8D-2 0.05004 0.03946 -0.04126 0.08080 -0.05604 45 3 Cu 1S 0.00050 0.00062 0.00083 -0.00122 -0.00027 46 2S 0.01866 0.04283 0.01302 0.00832 0.00315 47 3S 0.00406 0.14333 0.06689 0.01254 0.03733 48 4PX -0.00689 -0.00633 0.00187 -0.00122 -0.00126 49 4PY -0.00152 0.00573 0.00594 0.00587 0.00390 50 4PZ -0.00613 -0.00105 0.00039 -0.00590 -0.00458 51 5PX -0.00059 0.04344 -0.01411 0.01086 0.00827 52 5PY -0.01267 -0.02484 -0.03156 -0.03035 -0.02605 53 5PZ 0.01141 -0.01509 -0.01959 0.03301 0.02272 54 6PX -0.00142 0.01114 0.02059 0.00941 0.00275 55 6PY 0.00970 -0.02134 -0.00169 -0.00485 -0.01449 56 6PZ -0.01486 -0.00467 -0.00050 0.01999 0.01461 57 7D 0 -0.04789 0.17354 0.01877 0.45574 0.26273 58 7D+1 0.30685 0.17292 0.00670 -0.08334 -0.06450 59 7D-1 0.09168 -0.23667 -0.16392 -0.04664 -0.06492 60 7D+2 -0.02695 -0.17909 0.07327 0.03511 0.13429 61 7D-2 0.12809 -0.13544 -0.12608 0.25301 0.09026 62 8D 0 -0.01566 0.05537 0.00499 0.14666 0.08459 63 8D+1 0.09898 0.05642 0.00220 -0.02730 -0.01958 64 8D-1 0.03081 -0.07739 -0.05303 -0.01534 -0.01975 65 8D+2 -0.01033 -0.05831 0.02260 0.01196 0.04259 66 8D-2 0.04147 -0.04758 -0.04186 0.08256 0.02924 67 4 Cu 1S -0.00028 0.00005 -0.00081 -0.00003 0.00021 68 2S 0.00392 -0.00067 0.01163 0.00049 -0.00526 69 3S 0.02446 -0.00057 0.01095 -0.00035 0.00503 70 4PX -0.00470 0.02736 -0.01476 -0.00806 0.00261 71 4PY -0.00590 -0.00388 -0.02289 0.00104 0.00489 72 4PZ -0.00606 -0.01862 -0.01716 0.00546 0.00297 73 5PX -0.00554 -0.12518 0.06392 0.05502 -0.02513 74 5PY 0.00940 0.01663 0.13495 -0.00706 -0.04173 75 5PZ -0.00941 0.08691 0.06720 -0.03710 -0.02945 76 6PX -0.01793 -0.01826 0.00653 -0.01674 -0.00234 77 6PY -0.04295 0.00281 -0.00655 0.00225 -0.00477 78 6PZ -0.01817 0.01151 0.01046 0.01164 -0.00201 79 7D 0 0.04457 0.17106 0.15617 -0.10554 -0.04210 80 7D+1 0.10607 -0.09434 0.18828 0.05146 -0.03086 81 7D-1 0.06208 -0.11349 0.10384 0.02533 -0.02126 82 7D+2 0.02224 -0.04636 0.15814 0.04865 -0.05191 83 7D-2 0.05495 0.19783 0.05145 -0.06163 -0.00371 84 8D 0 0.01467 0.05452 0.04833 -0.03246 -0.01300 85 8D+1 0.03134 -0.02968 0.05419 0.01601 -0.00982 86 8D-1 0.01898 -0.03410 0.03241 0.00903 -0.00729 87 8D+2 0.00911 -0.01575 0.05170 0.01446 -0.01607 88 8D-2 0.01590 0.06007 0.01469 -0.02055 -0.00173 89 5 Cu 1S 0.00056 0.00313 0.00243 -0.00011 -0.00011 90 2S -0.05845 -0.03159 -0.01404 -0.01678 -0.01100 91 3S -0.06722 0.10291 0.07669 -0.02436 -0.02471 92 4PX -0.00761 -0.00003 -0.00293 0.00025 -0.00400 93 4PY 0.00347 0.00126 -0.00175 0.00299 -0.00108 94 4PZ 0.00113 0.00708 0.00375 0.00054 0.00003 95 5PX 0.01074 -0.00428 -0.01850 -0.00252 0.01148 96 5PY -0.02027 0.01715 0.00172 -0.00640 0.00153 97 5PZ -0.01077 0.01237 0.00600 -0.01396 -0.00913 98 6PX 0.00258 -0.00740 -0.01540 0.01192 -0.00263 99 6PY 0.01385 0.01522 0.01203 -0.00678 -0.01018 100 6PZ -0.01301 0.01901 0.00411 0.00487 -0.00289 101 7D 0 0.12312 -0.13215 0.01253 0.16851 0.05728 102 7D+1 -0.03746 -0.02477 0.30176 0.01799 -0.05860 103 7D-1 0.04264 -0.23660 0.03573 -0.03985 -0.07206 104 7D+2 -0.25701 -0.00696 -0.11427 -0.08565 -0.08753 105 7D-2 0.08193 0.01833 -0.03494 -0.18867 -0.13875 106 8D 0 0.04104 -0.04332 0.00486 0.05622 0.01890 107 8D+1 -0.01287 -0.00767 0.10136 0.00526 -0.01930 108 8D-1 0.01383 -0.08011 0.01021 -0.01349 -0.02373 109 8D+2 -0.08547 -0.00275 -0.03812 -0.02876 -0.03014 110 8D-2 0.02682 0.00624 -0.01196 -0.06477 -0.04717 111 6 Cu 1S 0.00026 -0.00002 -0.00093 -0.00005 0.00105 112 2S -0.07592 0.00167 -0.04865 0.00062 -0.02017 113 3S -0.02697 0.00386 -0.18771 -0.00055 -0.03931 114 4PX 0.00401 -0.00070 0.00513 0.00224 0.00261 115 4PY -0.00895 0.00011 -0.00109 -0.00019 -0.00799 116 4PZ 0.00704 0.00020 0.00769 -0.00175 0.00548 117 5PX -0.01355 0.01625 -0.03187 -0.00409 -0.01776 118 5PY 0.01986 -0.00221 -0.01668 -0.00014 0.03763 119 5PZ -0.02320 -0.00981 -0.04248 0.00367 -0.03385 120 6PX 0.00334 -0.00299 -0.01863 0.01309 -0.00840 121 6PY -0.03544 0.00050 -0.00474 -0.00262 0.02673 122 6PZ 0.01206 0.00269 -0.02513 -0.00895 -0.01834 123 7D 0 -0.00860 0.13006 -0.03165 0.08005 0.34164 124 7D+1 0.30690 -0.04754 -0.22950 -0.04738 0.21831 125 7D-1 0.23687 0.03402 0.31296 -0.00173 0.03216 126 7D+2 -0.14201 -0.09430 0.19511 -0.05890 0.41931 127 7D-2 0.26166 -0.02802 0.13883 0.02763 -0.08614 128 8D 0 -0.00256 0.04107 -0.01155 0.02540 0.11049 129 8D+1 0.09958 -0.01484 -0.07839 -0.01528 0.07098 130 8D-1 0.07656 0.01098 0.10298 -0.00142 0.01070 131 8D+2 -0.04564 -0.03007 0.06428 -0.01845 0.13549 132 8D-2 0.08458 -0.00939 0.04535 0.00998 -0.02750 133 7 Cu 1S 0.00050 -0.00329 0.00234 0.00014 -0.00011 134 2S -0.05316 0.03290 -0.01355 0.01814 -0.01054 135 3S -0.06136 -0.10630 0.07255 0.02780 -0.02430 136 4PX 0.00375 -0.00703 0.00385 -0.00110 0.00104 137 4PY 0.00122 -0.00019 -0.00276 -0.00283 -0.00200 138 4PZ -0.00686 -0.00215 -0.00128 0.00022 -0.00360 139 5PX -0.01603 -0.01625 0.01085 0.01439 -0.01119 140 5PY -0.01471 -0.01437 -0.00342 0.00468 0.00519 141 5PZ 0.00783 0.00283 -0.01536 0.00553 0.00767 142 6PX -0.00931 -0.02343 0.01042 0.00121 -0.00401 143 6PY 0.01538 -0.01101 0.00741 0.00575 -0.00978 144 6PZ -0.00312 0.00339 -0.01425 -0.01378 -0.00249 145 7D 0 -0.26912 -0.04094 0.08235 0.06278 -0.07569 146 7D+1 0.12462 0.05878 0.25651 -0.08488 -0.02323 147 7D-1 -0.00305 0.06518 -0.07069 0.22685 -0.15992 148 7D+2 -0.04100 0.17061 -0.09530 -0.11571 0.02367 149 7D-2 0.04933 0.18415 0.14234 -0.00489 -0.02993 150 8D 0 -0.08960 -0.01355 0.02788 0.02109 -0.02557 151 8D+1 0.04112 0.01845 0.08646 -0.02742 -0.00760 152 8D-1 -0.00147 0.02241 -0.02454 0.07745 -0.05423 153 8D+2 -0.01350 0.05718 -0.03194 -0.03913 0.00754 154 8D-2 0.01607 0.06249 0.04611 -0.00189 -0.00916 155 8 C 1S -0.00284 0.00031 -0.00412 -0.00006 0.00030 156 2S 0.00448 -0.00044 0.00568 0.00016 -0.00108 157 3S 0.01898 -0.00266 0.03926 0.00018 -0.00128 158 4PX 0.00576 -0.03288 0.02102 0.01375 -0.00555 159 4PY 0.01230 0.00431 0.02674 -0.00187 -0.00532 160 4PZ 0.00596 0.02207 0.02515 -0.00899 -0.00724 161 5PX 0.00041 0.00411 -0.00419 0.00682 -0.00088 162 5PY 0.01079 -0.00097 0.00319 -0.00083 -0.00122 163 5PZ -0.00168 -0.00240 -0.00691 -0.00464 -0.00114 164 9 O 1S 0.00026 -0.00004 0.00040 0.00001 0.00002 165 2S -0.00095 0.00003 0.00019 -0.00004 0.00019 166 3S 0.00082 0.00044 -0.00599 0.00014 -0.00109 167 4PX -0.01161 0.05631 -0.03782 -0.02362 0.00924 168 4PY -0.01204 -0.00848 -0.02976 0.00355 0.00666 169 4PZ -0.01508 -0.03739 -0.04980 0.01541 0.01270 170 5PX -0.00586 0.02686 -0.01803 -0.01411 0.00530 171 5PY -0.00607 -0.00393 -0.01628 0.00217 0.00373 172 5PZ -0.00767 -0.01791 -0.02324 0.00923 0.00736 56 57 58 59 60 O O O O O EIGENVALUES -- -0.27016 -0.26758 -0.26706 -0.26559 -0.26290 1 1 Cu 1S -0.00003 -0.00003 -0.00175 -0.00160 -0.00029 2 2S 0.00039 0.00042 0.02751 0.05521 -0.02629 3 3S -0.00148 -0.00127 -0.07721 0.01372 -0.06531 4 4PX -0.00296 -0.00017 0.00087 0.00465 -0.00029 5 4PY 0.00048 0.00009 0.00362 0.00514 -0.00353 6 4PZ 0.00209 0.00011 0.00039 0.00543 -0.00450 7 5PX -0.00554 0.01681 0.01521 -0.01098 -0.00684 8 5PY 0.00092 -0.00271 -0.00517 -0.01731 0.02269 9 5PZ 0.00437 -0.01098 0.02360 -0.01134 0.02972 10 6PX -0.01347 -0.01093 -0.00542 -0.00948 -0.01964 11 6PY 0.00230 0.00162 0.00516 -0.01010 0.01051 12 6PZ 0.00953 0.00757 -0.00993 -0.01022 0.02588 13 7D 0 0.22009 -0.23316 0.21099 0.02072 0.02242 14 7D+1 -0.12669 0.13112 0.35101 -0.36388 0.04769 15 7D-1 -0.22206 0.08356 -0.27902 -0.10460 0.44510 16 7D+2 -0.01663 0.08372 0.01301 0.24623 -0.07577 17 7D-2 0.36611 -0.19627 -0.15981 -0.20244 -0.17324 18 8D 0 0.07316 -0.07747 0.07048 0.00751 0.00790 19 8D+1 -0.04219 0.04355 0.11517 -0.11910 0.01608 20 8D-1 -0.07440 0.02791 -0.09288 -0.03488 0.14467 21 8D+2 -0.00526 0.02778 0.00587 0.08160 -0.02405 22 8D-2 0.12251 -0.06544 -0.05387 -0.06703 -0.05565 23 2 Cu 1S -0.00001 -0.00214 -0.00121 0.00004 0.00040 24 2S -0.00073 -0.00392 -0.00528 0.02075 -0.02062 25 3S -0.01370 -0.09434 -0.03646 0.00198 -0.00183 26 4PX -0.00106 0.00434 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-0.00503 0.02013 -0.04416 47 3S 0.01480 0.09162 -0.04054 0.00358 0.05981 48 4PX 0.01011 -0.00519 -0.01323 -0.00184 -0.00096 49 4PY 0.00877 -0.00653 -0.00672 -0.00306 -0.00061 50 4PZ 0.00279 -0.00453 0.00354 -0.01142 0.00529 51 5PX -0.06092 0.03186 0.05405 0.01120 0.01575 52 5PY -0.05388 0.01722 0.03626 0.00873 -0.01030 53 5PZ -0.01524 0.01118 -0.00877 0.04414 -0.02643 54 6PX -0.05203 0.01173 0.00244 -0.00647 0.00920 55 6PY -0.04230 -0.00674 0.00420 -0.00059 -0.00746 56 6PZ -0.01424 -0.01148 0.00636 0.00922 -0.02424 57 7D 0 -0.04132 -0.10632 0.15257 -0.11846 0.08984 58 7D+1 -0.07753 -0.02542 0.05303 -0.02129 0.13457 59 7D-1 -0.11551 0.06727 -0.06670 0.05991 -0.16300 60 7D+2 0.19923 -0.02097 -0.01120 0.02053 -0.00229 61 7D-2 -0.03439 -0.06922 0.04673 -0.03594 0.05347 62 8D 0 -0.01349 -0.03440 0.04797 -0.03686 0.02812 63 8D+1 -0.02548 -0.00935 0.01590 -0.00652 0.04416 64 8D-1 -0.03784 0.02099 -0.02170 0.01865 -0.05101 65 8D+2 0.06529 -0.00777 -0.00492 0.00552 -0.00131 66 8D-2 -0.01167 -0.02289 0.01616 -0.01239 0.01680 67 4 Cu 1S 0.00001 0.00003 0.00076 -0.00114 -0.00037 68 2S 0.00003 -0.00019 -0.00466 0.01251 -0.01560 69 3S 0.00018 0.00165 0.04020 -0.10983 -0.00876 70 4PX -0.00026 0.00104 0.00066 -0.00141 -0.00688 71 4PY 0.00002 -0.00011 0.00014 -0.00211 0.00505 72 4PZ 0.00018 -0.00060 0.00080 -0.00130 -0.00223 73 5PX 0.00059 0.00371 -0.00403 0.02088 0.02910 74 5PY -0.00004 -0.00054 0.01016 -0.01799 0.00335 75 5PZ -0.00040 -0.00323 -0.00717 0.03251 -0.00900 76 6PX -0.00868 0.04984 0.03220 0.01839 0.04511 77 6PY 0.00203 -0.00628 0.06261 0.04397 -0.00374 78 6PZ 0.00672 -0.03428 0.03608 0.01444 -0.02716 79 7D 0 -0.00839 0.12883 -0.06294 -0.02147 0.02873 80 7D+1 0.00281 -0.05430 0.04525 0.01017 -0.04171 81 7D-1 -0.01414 0.01191 -0.00538 0.05885 0.07721 82 7D+2 0.01029 -0.07729 -0.12781 -0.02615 -0.01196 83 7D-2 0.01871 0.01720 0.04250 0.05039 0.01191 84 8D 0 -0.00218 0.03786 -0.01852 -0.00614 0.00791 85 8D+1 0.00071 -0.01605 0.01198 0.00245 -0.01257 86 8D-1 -0.00391 0.00288 -0.00272 0.01668 0.02316 87 8D+2 0.00278 -0.02248 -0.03712 -0.00719 -0.00212 88 8D-2 0.00520 0.00582 0.01134 0.01416 0.00399 89 5 Cu 1S 0.00027 -0.00171 0.00134 -0.00023 -0.00111 90 2S -0.00452 0.03253 -0.03282 0.02624 0.00309 91 3S 0.02120 -0.03705 0.01457 0.05440 -0.03884 92 4PX 0.00244 0.00243 -0.00236 0.00288 0.00234 93 4PY 0.00189 -0.00170 0.00219 -0.00324 0.00002 94 4PZ 0.00064 -0.00323 0.00288 -0.00151 0.00036 95 5PX 0.00075 0.01383 0.01203 -0.01346 -0.01229 96 5PY 0.00903 -0.00727 0.01328 0.01668 -0.00821 97 5PZ 0.00141 0.01204 -0.00844 0.01354 -0.01281 98 6PX 0.01062 -0.01449 -0.00551 -0.01246 -0.02076 99 6PY 0.00999 0.00086 -0.01751 -0.01062 -0.00447 100 6PZ 0.00505 0.00589 -0.00692 0.01727 -0.00967 101 7D 0 0.10611 0.00994 0.15306 -0.10668 -0.05159 102 7D+1 0.30624 0.38706 0.09100 0.22014 0.16902 103 7D-1 0.20624 -0.22726 0.29053 0.11218 0.28753 104 7D+2 0.12692 -0.02073 0.20627 0.15924 0.03132 105 7D-2 -0.03425 -0.27348 -0.11673 0.33176 0.21043 106 8D 0 0.03554 0.00229 0.05162 -0.03477 -0.01818 107 8D+1 0.10248 0.12922 0.03019 0.07223 0.05537 108 8D-1 0.06938 -0.07578 0.09707 0.03696 0.09276 109 8D+2 0.04208 -0.00694 0.06820 0.05224 0.01035 110 8D-2 -0.01124 -0.09010 -0.03884 0.10836 0.06857 111 6 Cu 1S 0.00000 0.00005 0.00225 0.00091 0.00089 112 2S -0.00019 0.00016 -0.00267 0.00961 -0.02358 113 3S -0.00101 0.00193 0.06958 0.03370 0.04119 114 4PX -0.00737 -0.01444 0.00226 0.00285 -0.00092 115 4PY 0.00118 0.00217 -0.00029 0.01000 0.00217 116 4PZ 0.00527 0.01020 0.00240 0.00206 -0.00022 117 5PX 0.05133 0.06696 -0.00496 -0.00530 0.00586 118 5PY -0.00807 -0.00999 0.00345 -0.03195 -0.00833 119 5PZ -0.03657 -0.04707 -0.00367 -0.00117 0.01564 120 6PX 0.05447 0.01327 0.00516 0.00015 -0.00465 121 6PY -0.00850 -0.00188 0.01547 0.00743 0.00312 122 6PZ -0.03848 -0.00894 0.00498 -0.00103 0.00870 123 7D 0 0.14624 0.03630 0.10254 0.10543 -0.06212 124 7D+1 -0.04977 -0.00762 0.08729 0.05377 -0.00632 125 7D-1 0.09201 0.03291 0.08897 0.05119 0.01436 126 7D+2 -0.11572 -0.03149 0.14100 0.15565 0.01348 127 7D-2 -0.08773 -0.03441 0.03244 -0.00566 -0.01722 128 8D 0 0.04816 0.01304 0.03323 0.03377 -0.01927 129 8D+1 -0.01634 -0.00311 0.02827 0.01817 -0.00152 130 8D-1 0.03080 0.00998 0.02909 0.01613 0.00612 131 8D+2 -0.03832 -0.01054 0.04589 0.04909 0.00287 132 8D-2 -0.02958 -0.00984 0.01064 -0.00170 -0.00807 133 7 Cu 1S -0.00025 0.00177 0.00123 -0.00018 0.00095 134 2S 0.00415 -0.03414 -0.03068 0.02530 -0.04241 135 3S -0.01999 0.03694 0.01175 0.05534 -0.02860 136 4PX -0.00016 0.00426 0.00357 -0.00283 0.00521 137 4PY -0.00221 0.00081 0.00123 -0.00231 0.00343 138 4PZ -0.00220 -0.00146 -0.00138 0.00251 -0.00450 139 5PX -0.00278 -0.00586 -0.00876 0.02017 -0.00941 140 5PY -0.00845 0.00671 0.01602 0.01165 -0.01025 141 5PZ -0.00011 -0.01758 0.00708 -0.00975 0.02575 142 6PX -0.00311 -0.01079 -0.00779 0.01783 -0.00729 143 6PY -0.01121 0.00242 -0.01735 -0.01516 -0.00776 144 6PZ -0.01023 0.01149 -0.00616 -0.00318 0.02929 145 7D 0 -0.21537 -0.27179 0.17062 0.18402 -0.04234 146 7D+1 -0.22993 -0.25251 0.07132 0.12490 -0.28848 147 7D-1 -0.05533 0.34925 0.03795 0.37402 -0.15492 148 7D+2 -0.12739 0.12208 0.30272 -0.10714 0.09406 149 7D-2 -0.20116 0.04197 0.22300 0.04210 0.10530 150 8D 0 -0.07171 -0.09080 0.05616 0.06038 -0.01430 151 8D+1 -0.07710 -0.08400 0.02412 0.04101 -0.09421 152 8D-1 -0.01870 0.11548 0.01262 0.12235 -0.05087 153 8D+2 -0.04252 0.04180 0.10109 -0.03478 0.03176 154 8D-2 -0.06768 0.01405 0.07450 0.01405 0.03505 155 8 C 1S 0.00001 0.00008 0.00117 -0.00134 -0.01027 156 2S -0.00002 -0.00005 -0.00185 0.00541 0.02211 157 3S -0.00004 -0.00063 -0.00408 -0.00103 0.05421 158 4PX -0.00040 -0.00702 -0.00498 0.00023 0.00171 159 4PY 0.00006 0.00080 -0.00729 0.00498 0.02943 160 4PZ 0.00031 0.00457 -0.00565 -0.00112 -0.00837 161 5PX 0.00020 -0.00024 -0.00318 0.00583 -0.00414 162 5PY -0.00008 0.00018 0.00025 -0.01534 0.00833 163 5PZ -0.00014 0.00006 -0.00479 0.01185 0.00360 164 9 O 1S 0.00000 -0.00005 -0.00071 0.00054 0.00150 165 2S 0.00000 0.00007 0.00117 -0.00031 -0.00460 166 3S 0.00001 0.00045 0.00558 -0.00870 -0.00563 167 4PX 0.00116 0.00353 0.00422 -0.00117 -0.00763 168 4PY -0.00018 -0.00031 0.00575 -0.00516 -0.02053 169 4PZ -0.00081 -0.00225 0.00485 0.00000 0.00131 170 5PX 0.00030 0.00098 0.00247 -0.00231 -0.00377 171 5PY -0.00006 -0.00008 0.00091 -0.00309 -0.00951 172 5PZ -0.00025 -0.00051 0.00329 -0.00230 -0.00144 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26285 -0.26170 -0.26035 -0.26027 -0.25935 1 1 Cu 1S -0.00052 0.00096 -0.00047 -0.00004 0.00037 2 2S -0.04552 -0.04076 -0.05481 -0.00189 -0.01033 3 3S -0.11257 -0.04055 -0.10500 -0.00441 -0.07186 4 4PX -0.00568 -0.00526 -0.00543 -0.00139 -0.00233 5 4PY -0.00531 -0.00495 -0.00177 0.00008 -0.00560 6 4PZ -0.00418 -0.00648 -0.00744 0.00061 -0.00203 7 5PX 0.03568 0.02133 0.02803 0.00568 0.01647 8 5PY 0.03155 0.01202 -0.01159 -0.00059 0.03697 9 5PZ 0.01835 0.02838 0.04276 -0.00188 0.01509 10 6PX 0.02627 0.01535 0.01060 0.00157 -0.00177 11 6PY 0.00844 -0.00006 0.00779 0.00020 0.01958 12 6PZ 0.00327 0.02275 0.01327 -0.00037 -0.00712 13 7D 0 -0.02673 0.07419 0.23771 0.05662 -0.02436 14 7D+1 0.02822 0.35431 -0.00330 -0.03711 0.13833 15 7D-1 0.23811 0.17624 0.25102 -0.06898 0.17260 16 7D+2 0.14288 -0.06384 0.47295 0.02472 -0.08083 17 7D-2 0.42568 0.17811 0.02419 0.12887 0.16346 18 8D 0 -0.00788 0.02388 0.07852 0.01909 -0.00740 19 8D+1 0.01043 0.11623 -0.00035 -0.01221 0.04545 20 8D-1 0.07817 0.05849 0.08208 -0.02180 0.05634 21 8D+2 0.04723 -0.02148 0.15546 0.00751 -0.02576 22 8D-2 0.13836 0.05912 0.00780 0.04116 0.05315 23 2 Cu 1S 0.00183 0.00063 0.00137 -0.00014 -0.00042 24 2S -0.06348 -0.01422 0.00396 0.04016 -0.00128 25 3S 0.06920 0.02470 0.07356 0.02146 -0.02510 26 4PX -0.00019 0.00184 0.00174 0.00162 -0.00068 27 4PY 0.00054 0.00079 -0.00500 -0.00246 0.00038 28 4PZ -0.00097 0.00129 -0.00109 0.00299 -0.00154 29 5PX -0.00719 -0.01258 -0.00789 -0.01052 0.00766 30 5PY -0.01476 0.00466 0.02298 0.02302 0.00883 31 5PZ 0.02380 0.01001 0.02372 -0.01016 0.01606 32 6PX -0.01131 -0.01611 -0.00234 0.00042 0.00522 33 6PY -0.00508 0.00836 -0.00851 0.00215 -0.00564 34 6PZ 0.00922 0.00303 0.00682 -0.00277 -0.00021 35 7D 0 -0.01388 -0.09101 -0.16714 -0.00313 -0.13119 36 7D+1 0.06446 0.14315 -0.08910 0.09309 0.04316 37 7D-1 0.08205 -0.02466 -0.13055 -0.26790 0.10915 38 7D+2 -0.00702 -0.06935 -0.12828 -0.15343 -0.00376 39 7D-2 -0.03078 -0.03834 -0.05576 0.06921 0.11654 40 8D 0 -0.00438 -0.02895 -0.05357 -0.00071 -0.04183 41 8D+1 0.02130 0.04262 -0.02828 0.02959 0.01378 42 8D-1 0.02507 -0.00813 -0.04263 -0.08473 0.03468 43 8D+2 -0.00198 -0.02250 -0.04049 -0.04938 -0.00071 44 8D-2 -0.00929 -0.01417 -0.01812 0.02107 0.03759 45 3 Cu 1S 0.00126 0.00064 0.00144 0.00026 -0.00039 46 2S -0.04830 -0.01517 0.00650 -0.04136 -0.00119 47 3S 0.03378 0.02546 0.07885 -0.01595 -0.02398 48 4PX 0.00022 0.00066 -0.00229 -0.00197 -0.00086 49 4PY 0.00229 0.00093 -0.00449 0.00218 0.00058 50 4PZ -0.01028 0.00222 0.00225 -0.00295 -0.00118 51 5PX 0.01575 0.01471 0.02861 0.00360 0.01321 52 5PY -0.01948 0.00040 0.01795 -0.02099 0.00705 53 5PZ 0.05296 -0.00969 -0.00368 0.01727 0.01149 54 6PX 0.00596 0.00978 0.00595 0.00269 -0.00265 55 6PY -0.00381 0.00435 -0.00978 -0.00333 -0.00450 56 6PZ 0.02904 -0.01616 0.00145 0.00162 0.00626 57 7D 0 -0.08140 0.07617 -0.06959 0.04438 0.02321 58 7D+1 -0.17180 0.07013 -0.11722 -0.15225 -0.02286 59 7D-1 0.27739 -0.07265 -0.12216 0.08934 0.14891 60 7D+2 0.00487 -0.13380 -0.19654 0.19645 -0.09504 61 7D-2 0.10328 0.06322 -0.06862 0.19051 0.10106 62 8D 0 -0.02395 0.02272 -0.02157 0.01456 0.00772 63 8D+1 -0.05548 0.01986 -0.03756 -0.04846 -0.00732 64 8D-1 0.08699 -0.02485 -0.03955 0.02923 0.04795 65 8D+2 0.00151 -0.04161 -0.06291 0.06212 -0.03021 66 8D-2 0.03147 0.01984 -0.02268 0.05977 0.03184 67 4 Cu 1S -0.00072 -0.00043 -0.00027 -0.00002 0.00041 68 2S -0.02677 -0.00072 0.00097 -0.00026 0.00544 69 3S -0.01901 -0.02522 0.00863 0.00084 -0.00279 70 4PX -0.00254 0.00226 0.00874 -0.00199 0.00206 71 4PY 0.00748 0.00561 0.01360 0.00079 -0.00082 72 4PZ -0.01043 0.00222 0.00990 0.00168 0.00325 73 5PX -0.00189 -0.00411 -0.03710 -0.01802 0.00833 74 5PY 0.01204 -0.02269 -0.06315 0.00107 0.01637 75 5PZ 0.02235 -0.00166 -0.04265 0.01076 0.00804 76 6PX -0.02071 -0.01775 0.00756 -0.01873 0.02137 77 6PY 0.00755 -0.03172 0.01329 0.00344 0.03749 78 6PZ 0.02137 -0.01980 0.00696 0.01368 0.02302 79 7D 0 -0.04189 0.01038 -0.00123 0.02770 0.00023 80 7D+1 -0.04114 -0.05422 0.16129 -0.00207 0.01805 81 7D-1 0.08632 -0.00164 0.06060 0.04014 -0.03632 82 7D+2 0.05098 0.05116 -0.08463 -0.03335 -0.02022 83 7D-2 0.06653 -0.02472 0.09386 -0.03967 -0.01546 84 8D 0 -0.01168 0.00222 -0.00138 0.00733 -0.00072 85 8D+1 -0.01321 -0.01619 0.04467 -0.00011 0.00316 86 8D-1 0.02691 -0.00052 0.01697 0.01334 -0.01210 87 8D+2 0.01624 0.01388 -0.02501 -0.01002 -0.00630 88 8D-2 0.01980 -0.00696 0.02676 -0.01403 -0.00571 89 5 Cu 1S 0.00038 -0.00103 0.00000 -0.00057 0.00048 90 2S -0.04663 0.02585 0.02608 0.03194 0.02044 91 3S -0.05632 0.02687 0.03714 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-0.00057 -0.00274 -0.00005 -0.00045 112 2S -0.03985 0.03251 -0.00600 -0.00122 0.04968 113 3S 0.07082 -0.02944 -0.13211 -0.00280 0.00628 114 4PX 0.00015 0.00168 -0.00141 -0.00203 0.00085 115 4PY 0.00416 0.00888 0.00366 0.00043 -0.00811 116 4PZ -0.00158 0.00050 -0.00301 0.00127 0.00298 117 5PX 0.01625 -0.01232 -0.00748 -0.01192 -0.01185 118 5PY -0.01825 -0.04204 -0.00985 0.00145 0.04599 119 5PZ 0.02268 -0.00789 -0.00817 0.00863 -0.02657 120 6PX 0.00884 -0.00905 -0.01146 -0.00417 -0.00166 121 6PY 0.00155 -0.03775 0.00253 0.00097 0.02195 122 6PZ 0.00250 -0.00425 -0.01670 0.00234 -0.00696 123 7D 0 0.00445 0.12067 -0.12035 -0.13092 0.10729 124 7D+1 -0.05735 0.11709 -0.22677 0.03512 0.26869 125 7D-1 0.02114 0.24285 0.05873 -0.06648 -0.33774 126 7D+2 -0.01832 0.20291 -0.03323 0.09334 -0.11148 127 7D-2 0.02668 0.12656 0.02156 0.06222 -0.18402 128 8D 0 0.00117 0.03789 -0.03871 -0.04130 0.03444 129 8D+1 -0.01750 0.03786 -0.07452 0.01105 0.08390 130 8D-1 0.00502 0.07707 0.01970 -0.02050 -0.10751 131 8D+2 -0.00587 0.06322 -0.00934 0.02927 -0.03396 132 8D-2 0.00982 0.04052 0.00696 0.01902 -0.05923 133 7 Cu 1S -0.00080 -0.00099 -0.00004 0.00056 0.00045 134 2S -0.01857 0.02468 0.02622 -0.03199 0.02008 135 3S -0.05738 0.02598 0.03906 -0.08580 0.06756 136 4PX 0.00216 -0.00449 -0.00219 0.00909 -0.00573 137 4PY 0.00220 -0.00417 -0.00161 0.00351 0.00050 138 4PZ 0.00018 0.00089 0.00383 -0.00200 0.00293 139 5PX -0.01469 0.01603 -0.00096 -0.05087 0.03449 140 5PY -0.01434 0.02678 0.01371 -0.01509 -0.00333 141 5PZ -0.00245 0.00417 -0.01995 0.01009 -0.01638 142 6PX -0.00677 0.00873 0.00352 -0.01702 0.01183 143 6PY -0.01195 0.02649 -0.00394 -0.00521 -0.01009 144 6PZ -0.00807 0.01144 -0.01170 0.00046 -0.01056 145 7D 0 0.05176 0.09387 -0.05142 -0.09160 0.15766 146 7D+1 -0.03009 -0.09281 0.16902 -0.11010 0.38642 147 7D-1 0.26532 0.21945 -0.05779 -0.17943 -0.05739 148 7D+2 0.00706 -0.10679 0.16260 0.29135 -0.07482 149 7D-2 0.31633 -0.30586 -0.12163 0.33701 0.01511 150 8D 0 0.01752 0.03124 -0.01628 -0.03005 0.05121 151 8D+1 -0.01049 -0.02963 0.05647 -0.03672 0.12524 152 8D-1 0.08603 0.07151 -0.01860 -0.05922 -0.01790 153 8D+2 0.00139 -0.03548 0.05375 0.09510 -0.02349 154 8D-2 0.10293 -0.09956 -0.03936 0.11048 0.00361 155 8 C 1S -0.01792 -0.00110 0.00159 -0.00025 0.00635 156 2S 0.03870 0.00279 -0.00511 0.00052 -0.01455 157 3S 0.09349 0.00068 -0.00426 0.00129 -0.02708 158 4PX -0.00056 -0.00130 -0.00588 0.00425 -0.00222 159 4PY 0.05199 0.00249 -0.00899 -0.00013 -0.01997 160 4PZ -0.01215 -0.00269 -0.00633 -0.00336 0.00190 161 5PX 0.00560 0.00213 -0.00152 0.00569 -0.00372 162 5PY 0.01226 -0.00092 -0.00110 -0.00052 -0.00985 163 5PZ -0.00201 0.00335 -0.00141 -0.00407 -0.00285 164 9 O 1S 0.00265 0.00052 0.00008 0.00003 -0.00083 165 2S -0.00812 -0.00119 0.00026 -0.00010 0.00301 166 3S -0.00992 -0.00316 -0.00219 0.00001 0.00049 167 4PX -0.00599 0.00356 0.01257 -0.01001 0.00640 168 4PY -0.03713 -0.00091 0.00928 0.00135 0.01474 169 4PZ -0.00255 0.00568 0.01584 0.00721 0.00516 170 5PX -0.00511 0.00153 0.00726 -0.00645 0.00442 171 5PY -0.01672 0.00099 0.00355 0.00091 0.00599 172 5PZ -0.00361 0.00217 0.00950 0.00463 0.00466 66 67 68 69 70 O O O O O EIGENVALUES -- -0.25868 -0.25798 -0.25587 -0.25287 -0.25258 1 1 Cu 1S 0.00001 -0.00001 0.00019 0.00000 -0.00027 2 2S 0.00101 0.00006 0.02975 -0.00032 0.01481 3 3S 0.00265 -0.00021 0.02731 -0.00018 0.01524 4 4PX -0.00088 -0.00003 0.00449 0.00645 0.00387 5 4PY 0.00018 0.00007 -0.00592 -0.00093 -0.00344 6 4PZ 0.00087 -0.00002 0.00764 -0.00470 0.00607 7 5PX 0.00093 0.00045 -0.01505 -0.03689 -0.01213 8 5PY -0.00025 -0.00044 0.03265 0.00528 0.01622 9 5PZ -0.00214 -0.00012 -0.02824 0.02630 -0.01972 10 6PX 0.01021 -0.01056 -0.00567 -0.00165 -0.01005 11 6PY -0.00185 0.00161 0.01121 0.00003 0.01078 12 6PZ -0.00724 0.00774 -0.01041 0.00157 -0.01644 13 7D 0 0.04727 -0.03130 -0.22057 0.38266 -0.13681 14 7D+1 -0.01682 0.03884 -0.14052 -0.15633 -0.25624 15 7D-1 0.05089 0.15726 0.02574 0.04211 0.08346 16 7D+2 -0.05988 -0.04798 -0.26533 -0.21444 -0.03676 17 7D-2 -0.06259 -0.22925 0.08589 0.04066 0.04118 18 8D 0 0.01698 -0.00832 -0.07274 0.12710 -0.04506 19 8D+1 -0.00616 0.01198 -0.04617 -0.05179 -0.08373 20 8D-1 0.01683 0.05209 0.00766 0.01487 0.02660 21 8D+2 -0.02051 -0.01696 -0.08785 -0.07158 -0.01285 22 8D-2 -0.02028 -0.07535 0.02783 0.01232 0.01322 23 2 Cu 1S -0.00191 0.00083 -0.00243 0.00198 -0.00114 24 2S -0.00383 -0.00983 0.00896 0.02526 -0.01036 25 3S -0.09864 0.03147 -0.07317 0.09930 -0.04827 26 4PX -0.00228 0.00054 -0.00026 -0.01108 0.00710 27 4PY -0.00361 -0.00840 0.00203 -0.00087 -0.00545 28 4PZ -0.00817 -0.00572 -0.00320 -0.00440 -0.00331 29 5PX 0.01005 -0.00103 0.00345 0.04412 -0.02886 30 5PY 0.03302 0.02259 0.00606 -0.00161 0.02103 31 5PZ 0.02530 0.02719 0.00155 0.02369 0.00701 32 6PX -0.00060 -0.00090 -0.00075 -0.00673 0.00323 33 6PY 0.00990 -0.00293 0.00396 -0.00977 -0.00376 34 6PZ -0.01174 0.00667 -0.00805 0.00101 -0.00715 35 7D 0 -0.24646 -0.17055 -0.02967 -0.18696 0.02555 36 7D+1 0.07390 0.19218 0.02098 -0.13932 -0.06386 37 7D-1 0.12902 -0.03614 0.22371 -0.22966 0.11655 38 7D+2 -0.08882 -0.11183 -0.02332 0.25125 -0.19989 39 7D-2 0.00338 0.21814 -0.00499 -0.01947 -0.16071 40 8D 0 -0.07884 -0.05553 -0.00917 -0.05940 0.00860 41 8D+1 0.02351 0.06271 0.00812 -0.04593 -0.01978 42 8D-1 0.04252 -0.01201 0.07287 -0.07382 0.03738 43 8D+2 -0.02963 -0.03574 -0.00787 0.08037 -0.06368 44 8D-2 0.00181 0.07044 -0.00292 -0.00482 -0.05204 45 3 Cu 1S 0.00187 -0.00080 -0.00247 -0.00193 -0.00117 46 2S 0.00348 0.01039 0.00864 -0.02507 -0.01038 47 3S 0.09674 -0.02952 -0.07539 -0.09768 -0.04912 48 4PX 0.00764 0.00704 -0.00252 0.00078 -0.00636 49 4PY 0.00301 0.00714 0.00231 0.00244 -0.00329 50 4PZ 0.00433 0.00042 -0.00152 0.01162 0.00641 51 5PX -0.02802 -0.02987 0.00161 -0.00789 0.01949 52 5PY -0.03162 -0.01771 0.00705 -0.00396 0.01331 53 5PZ -0.01339 -0.00591 0.00221 -0.04929 -0.02830 54 6PX 0.00863 -0.00591 -0.00624 -0.00079 -0.00836 55 6PY -0.01073 0.00379 0.00520 0.01108 -0.00193 56 6PZ 0.00586 -0.00206 -0.00408 0.00455 0.00110 57 7D 0 -0.04244 -0.03442 -0.01782 -0.18441 -0.16367 58 7D+1 0.07050 -0.13085 -0.00706 0.26743 -0.01681 59 7D-1 -0.03473 -0.14845 0.06822 -0.00621 -0.16147 60 7D+2 0.21011 0.29669 0.03302 0.04458 0.01978 61 7D-2 -0.20563 -0.02533 0.21785 0.24470 0.17811 62 8D 0 -0.01239 -0.01194 -0.00510 -0.05782 -0.05181 63 8D+1 0.02226 -0.04245 -0.00129 0.08596 -0.00488 64 8D-1 -0.01182 -0.04794 0.02087 -0.00312 -0.05218 65 8D+2 0.06757 0.09627 0.01098 0.01406 0.00678 66 8D-2 -0.06696 -0.00803 0.07154 0.07935 0.05722 67 4 Cu 1S 0.00001 -0.00001 0.00247 -0.00004 0.00034 68 2S -0.00011 -0.00002 0.01467 0.00000 -0.00087 69 3S 0.00024 -0.00019 0.13920 -0.00095 0.01010 70 4PX -0.01312 0.00868 0.00707 0.00003 -0.00038 71 4PY 0.00174 -0.00133 -0.00768 0.00003 -0.00139 72 4PZ 0.00885 -0.00611 0.01141 -0.00014 -0.00032 73 5PX 0.05093 -0.02967 -0.02304 -0.01096 0.00651 74 5PY -0.00686 0.00439 0.01518 0.00173 0.00785 75 5PZ -0.03481 0.02070 -0.03438 0.00764 0.00788 76 6PX -0.02350 0.01317 -0.00476 -0.03363 0.01213 77 6PY 0.00247 -0.00218 0.01834 0.00445 0.02439 78 6PZ 0.01551 -0.00940 -0.01039 0.02339 0.01187 79 7D 0 -0.08212 0.04864 0.03335 0.00533 -0.00026 80 7D+1 0.01666 -0.01334 0.10382 0.00144 -0.02474 81 7D-1 -0.10864 0.04674 -0.22122 0.02956 -0.02723 82 7D+2 0.09171 -0.04523 -0.08702 -0.01415 0.00702 83 7D-2 0.12618 -0.05045 -0.12096 -0.03591 -0.02467 84 8D 0 -0.02415 0.01463 0.00916 0.00214 0.00037 85 8D+1 0.00517 -0.00420 0.03138 0.00021 -0.00748 86 8D-1 -0.03064 0.01281 -0.06866 0.00897 -0.00831 87 8D+2 0.02641 -0.01304 -0.02850 -0.00455 0.00280 88 8D-2 0.03530 -0.01342 -0.03707 -0.01075 -0.00772 89 5 Cu 1S 0.00045 0.00012 -0.00025 0.00021 0.00013 90 2S 0.03616 -0.02725 0.03176 -0.00665 -0.00430 91 3S 0.08682 -0.04985 0.03534 -0.01187 -0.01371 92 4PX 0.00311 -0.00187 0.00503 -0.00073 -0.00621 93 4PY -0.00667 0.00465 -0.00832 0.00583 -0.00157 94 4PZ -0.00022 0.00122 0.00642 -0.00317 -0.00206 95 5PX -0.01945 0.01346 -0.01944 -0.00387 0.03530 96 5PY 0.03692 -0.02175 0.03465 -0.02409 0.01240 97 5PZ -0.00995 0.00063 -0.03892 0.01431 0.00993 98 6PX 0.00342 0.00549 -0.00611 0.01010 0.00916 99 6PY 0.01768 -0.00171 0.00780 -0.01659 -0.00592 100 6PZ 0.00564 -0.00077 -0.00929 0.01109 0.00454 101 7D 0 0.39678 -0.24612 0.34704 -0.07282 0.00418 102 7D+1 -0.15312 -0.16677 -0.11953 0.00331 0.06964 103 7D-1 -0.23905 -0.04463 0.08019 -0.10255 -0.08141 104 7D+2 0.02036 0.05315 0.08229 -0.26239 0.29956 105 7D-2 0.03512 -0.04726 0.19041 -0.14689 -0.23725 106 8D 0 0.13123 -0.08118 0.11477 -0.02438 0.00107 107 8D+1 -0.05087 -0.05399 -0.03891 0.00103 0.02230 108 8D-1 -0.07859 -0.01538 0.02597 -0.03261 -0.02699 109 8D+2 0.00798 0.01993 0.02697 -0.08692 0.09999 110 8D-2 0.01179 -0.01651 0.06232 -0.04780 -0.07805 111 6 Cu 1S 0.00004 -0.00001 -0.00251 0.00000 0.00194 112 2S -0.00076 -0.00050 0.00899 -0.00041 0.02145 113 3S 0.00107 -0.00114 -0.08268 -0.00071 0.09955 114 4PX 0.00126 -0.00996 -0.00157 0.00459 0.00228 115 4PY -0.00012 0.00159 -0.00018 -0.00078 0.01431 116 4PZ -0.00086 0.00703 -0.00207 -0.00321 0.00010 117 5PX -0.01739 0.05509 -0.00549 -0.01473 -0.00360 118 5PY 0.00218 -0.00883 0.00741 0.00255 -0.06423 119 5PZ 0.01284 -0.03881 -0.01023 0.01025 0.00862 120 6PX 0.00026 0.00599 -0.00369 0.00845 0.00492 121 6PY -0.00037 -0.00107 0.00226 -0.00128 0.00228 122 6PZ 0.00012 -0.00428 -0.00595 -0.00612 0.00656 123 7D 0 -0.04584 0.38570 -0.03056 -0.00890 -0.06483 124 7D+1 0.03690 -0.15220 -0.21465 0.01592 0.27247 125 7D-1 0.12517 0.11582 0.02665 0.08359 0.16482 126 7D+2 -0.02580 -0.25102 0.09553 -0.03022 -0.23855 127 7D-2 -0.17933 -0.05540 -0.03471 -0.11991 0.22350 128 8D 0 -0.01421 0.12481 -0.01056 -0.00225 -0.02012 129 8D+1 0.01175 -0.04922 -0.07048 0.00482 0.08818 130 8D-1 0.04073 0.03764 0.00724 0.02671 0.05411 131 8D+2 -0.00885 -0.08131 0.03006 -0.00998 -0.07555 132 8D-2 -0.05825 -0.01816 -0.01207 -0.03816 0.07236 133 7 Cu 1S -0.00046 -0.00011 -0.00027 -0.00022 0.00013 134 2S -0.03732 0.02691 0.03210 0.00604 -0.00396 135 3S -0.08919 0.04938 0.03669 0.01195 -0.01334 136 4PX 0.00272 -0.00260 0.00268 0.00153 -0.00024 137 4PY 0.00581 -0.00396 -0.00810 -0.00578 -0.00250 138 4PZ -0.00389 0.00192 0.00818 0.00255 -0.00614 139 5PX -0.00513 0.00773 -0.02309 -0.00938 0.00043 140 5PY -0.03353 0.01851 0.03610 0.02555 0.01785 141 5PZ 0.02747 -0.01561 -0.03719 -0.00480 0.03398 142 6PX -0.00788 0.00280 -0.00529 -0.00364 0.00009 143 6PY -0.01637 0.00054 0.00819 0.01576 -0.00444 144 6PZ -0.00201 -0.00514 -0.01030 -0.01564 0.01085 145 7D 0 0.18146 -0.04063 -0.16862 0.12042 0.31533 146 7D+1 -0.13781 0.28099 0.12370 -0.00619 -0.07343 147 7D-1 0.07797 0.00805 0.20455 0.24340 -0.13991 148 7D+2 -0.25706 0.11138 0.30570 0.16815 0.16456 149 7D-2 0.34996 0.02058 -0.11024 -0.03204 -0.06856 150 8D 0 0.05934 -0.01597 -0.05542 0.04015 0.10457 151 8D+1 -0.04504 0.09277 0.04130 -0.00195 -0.02515 152 8D-1 0.02501 0.00298 0.06674 0.07937 -0.04558 153 8D+2 -0.08583 0.03582 0.10081 0.05565 0.05471 154 8D-2 0.11577 0.00750 -0.03656 -0.01158 -0.02317 155 8 C 1S -0.00012 -0.00002 0.02289 -0.00019 0.00151 156 2S 0.00041 -0.00002 -0.04924 0.00042 -0.00324 157 3S 0.00003 0.00030 -0.11818 0.00097 -0.00731 158 4PX 0.00552 -0.00536 -0.00390 0.00243 -0.00029 159 4PY -0.00044 0.00097 -0.06829 0.00019 -0.00448 160 4PZ -0.00363 0.00377 0.01231 -0.00168 0.00086 161 5PX 0.00616 -0.00406 -0.00823 0.00628 -0.00208 162 5PY -0.00056 0.00060 -0.00209 -0.00072 -0.00461 163 5PZ -0.00408 0.00284 -0.01071 -0.00427 -0.00180 164 9 O 1S -0.00001 0.00001 -0.00492 0.00003 -0.00032 165 2S -0.00006 -0.00001 0.01267 -0.00011 0.00115 166 3S 0.00038 -0.00019 0.02842 -0.00006 0.00021 167 4PX -0.01254 0.01013 0.00992 -0.00527 0.00025 168 4PY 0.00173 -0.00182 0.05279 0.00039 0.00296 169 4PZ 0.00797 -0.00704 -0.00011 0.00338 -0.00069 170 5PX -0.00838 0.00655 0.00868 -0.00403 0.00074 171 5PY 0.00132 -0.00119 0.02259 0.00046 0.00106 172 5PZ 0.00531 -0.00452 0.00602 0.00258 0.00063 71 72 73 74 75 O O O O V EIGENVALUES -- -0.24773 -0.20904 -0.20680 -0.14621 -0.08591 1 1 Cu 1S 0.00000 0.00023 -0.00001 -0.00513 0.00559 2 2S 0.00023 0.34147 -0.00272 -0.15518 0.12708 3 3S 0.00022 0.10003 -0.00117 -0.13393 0.07691 4 4PX 0.00875 0.00836 0.01596 0.00814 -0.02188 5 4PY -0.00134 0.00403 -0.00248 -0.01503 -0.00288 6 4PZ -0.00613 0.01086 -0.01131 0.01470 -0.03117 7 5PX -0.03723 0.00197 -0.04812 -0.03897 0.09189 8 5PY 0.00572 0.01665 0.00723 0.04370 0.05871 9 5PZ 0.02601 -0.00010 0.03371 -0.06419 0.12182 10 6PX -0.01394 0.02227 -0.00952 0.00783 0.08009 11 6PY 0.00202 -0.01848 0.00137 -0.04109 -0.07605 12 6PZ 0.00989 0.03593 0.00652 0.01974 0.13016 13 7D 0 0.22291 -0.01431 0.08050 -0.04132 0.02012 14 7D+1 -0.08446 -0.00497 -0.02465 -0.04990 0.03182 15 7D-1 0.08236 0.03703 0.06958 0.02769 0.01470 16 7D+2 -0.15321 -0.00985 -0.07234 -0.02677 0.01421 17 7D-2 -0.05568 0.02822 -0.07629 0.02290 0.01077 18 8D 0 0.07351 -0.00298 0.02779 -0.01354 0.00866 19 8D+1 -0.02782 0.00245 -0.00872 -0.01706 0.01200 20 8D-1 0.02733 0.01629 0.02275 0.00793 0.00507 21 8D+2 -0.05059 -0.00196 -0.02443 -0.00858 0.00719 22 8D-2 -0.01859 0.01226 -0.02460 0.00657 0.00310 23 2 Cu 1S 0.00014 -0.00039 0.00051 0.00519 -0.00037 24 2S -0.00120 0.10281 -0.19054 0.14592 -0.10153 25 3S 0.00652 -0.03209 0.03082 0.11471 0.04546 26 4PX 0.00209 -0.00895 0.01573 0.03769 -0.02446 27 4PY -0.00371 -0.03325 -0.02493 -0.02334 0.00740 28 4PZ -0.00176 -0.03755 -0.01333 0.03174 0.01201 29 5PX -0.00898 0.02883 -0.04932 -0.11637 0.06896 30 5PY 0.02252 0.09648 0.04948 0.06512 -0.04191 31 5PZ 0.01557 0.08596 0.05055 -0.09250 -0.02504 32 6PX -0.00051 0.02429 -0.03592 0.01448 0.04121 33 6PY 0.01474 0.03770 -0.00275 0.04534 0.06561 34 6PZ 0.01678 0.02000 0.01852 0.01082 0.07106 35 7D 0 -0.15582 -0.19471 -0.03762 0.04805 -0.02436 36 7D+1 -0.19742 0.00706 0.08091 -0.01832 -0.03527 37 7D-1 -0.01081 -0.03600 0.02772 -0.04191 -0.03781 38 7D+2 -0.12228 -0.04143 -0.13616 -0.08814 0.01006 39 7D-2 -0.21391 0.07123 -0.03891 0.00402 0.00237 40 8D 0 -0.05043 -0.06569 -0.01322 0.01543 -0.00763 41 8D+1 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-0.06962 0.00379 -0.09704 -0.03022 -0.04036 62 8D 0 0.03241 0.00698 0.00935 -0.02834 0.00005 63 8D+1 0.07998 -0.02518 -0.02232 0.01248 -0.01190 64 8D-1 0.06606 0.01981 0.02494 -0.01364 -0.00176 65 8D+2 0.02254 -0.06545 0.03359 -0.00639 -0.00519 66 8D-2 -0.02248 0.00118 -0.03356 -0.01264 -0.01115 67 4 Cu 1S 0.00000 -0.00054 0.00002 -0.00510 -0.00687 68 2S 0.00000 0.00259 -0.00019 -0.20378 -0.16310 69 3S 0.00002 -0.00041 0.00008 -0.00269 0.14117 70 4PX 0.00133 -0.02357 0.04498 -0.01225 -0.01996 71 4PY -0.00024 -0.04170 -0.00644 0.00563 -0.02661 72 4PZ -0.00096 -0.02523 -0.03125 -0.01807 -0.01968 73 5PX -0.00313 0.06680 -0.12690 0.06521 0.08233 74 5PY 0.00056 0.12599 0.01809 -0.04137 0.12291 75 5PZ 0.00227 0.06997 0.08836 0.09895 0.07698 76 6PX 0.00670 -0.03044 0.04867 -0.03245 -0.06047 77 6PY -0.00125 -0.05671 -0.00737 -0.07658 -0.13540 78 6PZ -0.00495 -0.03270 -0.03427 -0.02988 -0.06101 79 7D 0 0.01005 0.04710 0.09101 -0.05493 -0.06877 80 7D+1 -0.00370 -0.01221 -0.03606 -0.09391 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0.03980 0.00956 0.15486 0.16671 160 4PZ 0.00070 0.05300 0.04221 0.07249 0.28526 161 5PX -0.00115 0.01729 -0.02845 0.05097 0.13877 162 5PY 0.00018 0.02028 0.00415 0.03862 0.08260 163 5PZ 0.00083 0.02038 0.01928 0.05946 0.16432 164 9 O 1S 0.00000 -0.00068 0.00004 0.00698 0.00286 165 2S 0.00000 0.00205 -0.00011 -0.02028 -0.00586 166 3S -0.00002 0.00409 -0.00023 -0.03229 -0.02388 167 4PX 0.00179 -0.05321 0.07800 -0.07675 -0.17707 168 4PY -0.00029 -0.03590 -0.01249 -0.10971 -0.11950 169 4PZ -0.00123 -0.06933 -0.05227 -0.07566 -0.20496 170 5PX 0.00122 -0.03234 0.04792 -0.05244 -0.12999 171 5PY -0.00020 -0.02252 -0.00763 -0.05601 -0.08433 172 5PZ -0.00085 -0.04196 -0.03217 -0.05665 -0.15154 76 77 78 79 80 V V V V V EIGENVALUES -- -0.08219 -0.07620 -0.07321 -0.07302 -0.02912 1 1 Cu 1S 0.00002 0.01031 -0.00067 0.00907 0.00712 2 2S -0.00083 0.13005 -0.01519 0.20497 0.01879 3 3S 0.00103 0.17042 -0.01676 0.21683 0.21976 4 4PX 0.00906 -0.01255 -0.04610 -0.02125 -0.03702 5 4PY -0.00209 -0.06176 0.00742 -0.00622 0.02402 6 4PZ -0.00494 -0.00471 0.03521 -0.02104 -0.05416 7 5PX -0.05020 0.05486 0.17584 0.11785 0.14743 8 5PY 0.00877 0.21004 -0.03017 0.04473 -0.10097 9 5PZ 0.03002 0.03268 -0.13959 0.12794 0.21718 10 6PX 0.02000 0.02317 0.07244 0.03200 0.15651 11 6PY 0.00525 0.19111 -0.01529 0.08661 -0.08741 12 6PZ -0.02293 -0.00882 -0.05508 0.01321 0.22126 13 7D 0 0.03047 -0.03124 -0.06571 0.00056 0.02245 14 7D+1 -0.01657 0.01531 0.02758 -0.01949 0.03086 15 7D-1 -0.01518 0.04630 -0.01635 -0.00065 -0.00810 16 7D+2 -0.01168 -0.04753 0.03881 0.02694 0.01505 17 7D-2 0.02911 0.04880 0.00646 -0.00878 -0.00618 18 8D 0 0.00800 -0.01086 -0.01933 0.00017 0.00723 19 8D+1 -0.00465 0.00454 0.00803 -0.00415 0.00756 20 8D-1 -0.00502 0.01519 -0.00444 -0.00008 -0.00257 21 8D+2 -0.00284 -0.01633 0.01132 0.00686 0.00674 22 8D-2 0.00916 0.01618 0.00135 -0.00208 -0.00282 23 2 Cu 1S -0.00645 0.00586 0.00862 -0.00611 -0.00076 24 2S -0.16105 0.00353 0.22148 -0.12854 -0.04445 25 3S -0.14161 0.26133 0.07837 -0.10230 -0.06128 26 4PX 0.01012 -0.01581 -0.03372 0.02232 -0.02153 27 4PY 0.00645 -0.04774 -0.01647 -0.00105 0.04140 28 4PZ -0.02459 0.02358 -0.00499 -0.02201 0.03660 29 5PX -0.05506 0.05158 0.13022 -0.08739 0.08011 30 5PY -0.03458 0.12621 0.10530 0.00016 -0.14148 31 5PZ 0.08915 -0.03438 -0.02148 0.10692 -0.10833 32 6PX -0.03018 -0.00182 0.05558 -0.04341 0.02841 33 6PY -0.05403 -0.02811 0.00741 -0.06439 -0.03115 34 6PZ 0.05236 -0.10662 -0.03661 0.00412 -0.01827 35 7D 0 0.01780 0.02035 -0.00075 -0.01852 -0.00488 36 7D+1 0.01204 -0.02800 -0.03855 -0.04987 -0.04079 37 7D-1 0.03200 -0.08233 0.04612 -0.00446 0.01713 38 7D+2 0.00188 0.00813 -0.00940 -0.00689 -0.03152 39 7D-2 0.02781 0.02887 -0.01394 -0.07105 -0.00223 40 8D 0 0.00494 0.00798 0.00162 -0.00326 -0.00143 41 8D+1 0.00299 -0.00760 -0.01208 -0.01206 -0.00880 42 8D-1 0.01052 -0.02600 0.01247 -0.00026 0.00574 43 8D+2 0.00121 0.00116 -0.00268 -0.00043 -0.00766 44 8D-2 0.00741 0.00741 -0.00182 -0.01963 -0.00039 45 3 Cu 1S 0.00660 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-0.00437 -0.00167 -0.00827 0.00435 -0.00062 66 8D-2 -0.00644 -0.02812 -0.00945 0.00168 0.00484 67 4 Cu 1S 0.00011 -0.00319 -0.00021 0.00211 0.00300 68 2S 0.00286 -0.18888 -0.00537 0.05585 0.04255 69 3S -0.00332 0.06212 0.00622 -0.06477 0.01669 70 4PX -0.04162 -0.00002 -0.02190 0.00252 -0.01681 71 4PY 0.00797 0.06384 0.00327 0.00261 0.00078 72 4PZ 0.03112 -0.01571 0.01511 0.00679 -0.02278 73 5PX 0.19727 -0.01677 0.08209 0.00245 0.05543 74 5PY -0.03738 -0.26102 -0.01367 0.00638 0.04087 75 5PZ -0.14665 0.04175 -0.05844 -0.01241 0.06453 76 6PX -0.00981 0.05514 -0.03840 0.03915 -0.11297 77 6PY 0.01471 0.09413 0.00284 0.08536 -0.08931 78 6PZ 0.01795 0.06444 0.02544 0.04550 -0.11292 79 7D 0 0.10996 0.06408 0.06368 0.00451 0.01662 80 7D+1 -0.05530 0.03418 -0.01701 -0.07488 0.03124 81 7D-1 -0.07478 0.02960 0.03238 -0.02214 0.01611 82 7D+2 -0.01674 0.09573 -0.04861 0.03695 0.01205 83 7D-2 0.13361 -0.00802 -0.02345 -0.03990 0.00787 84 8D 0 0.02646 0.01339 0.01405 0.00047 0.00081 85 8D+1 -0.01279 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4PX 0.00608 0.03081 0.04424 0.00027 0.00414 71 4PY -0.00112 0.03287 -0.00719 0.00291 -0.00490 72 4PZ -0.00480 0.03608 -0.03091 -0.00041 0.00673 73 5PX -0.01908 -0.08058 -0.09537 -0.02305 -0.04209 74 5PY 0.00423 -0.08589 0.01536 0.05442 0.13459 75 5PZ 0.01546 -0.09361 0.06596 -0.04562 -0.09144 76 6PX 0.25132 0.08576 0.22774 -0.19319 0.21027 77 6PY -0.03934 -0.02874 -0.03733 0.20767 0.15824 78 6PZ -0.17964 0.13120 -0.15635 -0.32514 0.24765 79 7D 0 0.01540 -0.05392 0.08105 -0.00815 0.00012 80 7D+1 -0.00961 -0.02657 -0.03804 -0.01493 0.02850 81 7D-1 -0.02932 -0.00423 -0.02017 0.02246 -0.07831 82 7D+2 0.00617 -0.07290 -0.03210 0.00330 -0.04525 83 7D-2 0.04588 0.01662 0.04985 0.01366 -0.03805 84 8D 0 -0.00227 -0.01449 0.02045 -0.00029 0.00039 85 8D+1 0.00032 -0.00738 -0.00962 -0.00030 0.00743 86 8D-1 -0.00598 -0.00008 -0.00484 -0.00099 -0.01964 87 8D+2 0.00373 -0.01919 -0.00825 -0.00066 -0.01093 88 8D-2 0.00812 0.00512 0.01234 -0.00051 -0.00966 89 5 Cu 1S -0.00740 -0.00114 0.00168 -0.00123 -0.00457 90 2S -0.04080 0.06534 -0.10374 0.01994 -0.06617 91 3S -0.23317 0.03672 -0.23542 -0.09502 0.34352 92 4PX 0.04612 0.01742 -0.01704 0.01908 0.01175 93 4PY -0.03537 -0.01867 0.02808 -0.02428 0.00151 94 4PZ 0.01982 -0.02069 0.04264 0.01351 -0.03665 95 5PX -0.18212 -0.04370 0.09569 -0.09701 -0.10987 96 5PY 0.13984 0.08777 -0.12309 0.14460 0.05969 97 5PZ -0.07241 0.07782 -0.18358 -0.08991 0.23230 98 6PX -0.24887 -0.05695 0.26343 -0.26797 -0.07957 99 6PY 0.20759 0.20385 -0.17977 0.36911 -0.12113 100 6PZ -0.12832 0.19223 -0.45516 -0.13404 0.52735 101 7D 0 0.00226 0.01905 0.00189 -0.00448 -0.00214 102 7D+1 -0.01367 0.03637 0.01886 0.00267 -0.01094 103 7D-1 0.02839 0.01886 0.01781 -0.01062 0.01092 104 7D+2 0.00725 -0.00813 -0.00931 -0.02033 -0.01081 105 7D-2 0.02378 0.00821 0.00014 -0.05170 -0.03125 106 8D 0 0.00361 0.00347 0.00236 -0.00273 -0.00310 107 8D+1 -0.00396 0.00828 0.00412 -0.00041 -0.00238 108 8D-1 0.00701 0.00422 0.00321 -0.00010 0.00271 109 8D+2 0.00053 -0.00484 -0.00371 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92 93 94 95 V V V V V EIGENVALUES -- 0.04263 0.04283 0.04893 0.04935 0.05240 1 1 Cu 1S 0.00001 0.00002 0.00005 -0.00001 -0.00312 2 2S -0.00212 0.11105 0.09080 0.00023 -0.08358 3 3S -0.03053 1.53139 1.69544 0.01077 -1.46259 4 4PX -0.01959 -0.00615 -0.02461 0.01753 -0.00305 5 4PY 0.00266 0.00816 -0.02018 -0.00283 0.02888 6 4PZ 0.01397 -0.00944 -0.03053 -0.01258 -0.01066 7 5PX 0.02994 -0.03993 0.08035 -0.08721 0.05858 8 5PY -0.00205 -0.08864 0.05271 0.01320 -0.09859 9 5PZ -0.01902 -0.04003 0.10155 0.06188 0.10462 10 6PX -0.48780 -0.43909 -0.46610 1.18974 0.37716 11 6PY 0.10167 -0.90998 0.79126 -0.17316 -0.06314 12 6PZ 0.35258 -0.39916 -0.83432 -0.84637 0.56770 13 7D 0 -0.03856 0.00561 0.01960 0.03750 -0.00308 14 7D+1 0.01352 0.01038 0.02938 -0.01623 0.00824 15 7D-1 -0.02115 0.01869 -0.02694 -0.00069 0.00690 16 7D+2 0.02884 0.01078 0.00425 -0.01898 -0.00831 17 7D-2 0.01829 0.01221 -0.01773 0.01060 0.00916 18 8D 0 -0.01315 0.00372 0.00475 0.00826 0.00016 19 8D+1 0.00455 0.00757 0.00901 -0.00343 -0.00022 20 8D-1 -0.00669 0.00803 0.00042 0.00074 0.00307 21 8D+2 0.00951 0.00433 0.00185 -0.00458 0.00135 22 8D-2 0.00551 0.00553 0.00065 0.00114 0.00187 23 2 Cu 1S -0.00087 0.00016 0.00015 0.00114 -0.00021 24 2S 0.16402 -0.09617 0.00123 -0.00671 0.02107 25 3S 2.32710 -1.37447 0.14699 -0.40247 0.13917 26 4PX -0.01002 0.00777 -0.01439 0.02358 -0.00234 27 4PY 0.00136 -0.00618 0.03254 0.01417 -0.01664 28 4PZ -0.00714 -0.00192 0.02691 0.02024 0.01325 29 5PX -0.05351 0.03011 0.03627 -0.07023 0.02671 30 5PY -0.11370 0.09134 -0.22213 -0.07230 0.09660 31 5PZ 0.12914 -0.05360 -0.18065 -0.14260 -0.02153 32 6PX -0.53352 0.27916 0.92726 -1.34770 0.25733 33 6PY -0.55426 0.54068 -1.15464 -0.37745 0.09129 34 6PZ 0.83494 -0.38937 -0.82176 -0.92463 -0.40490 35 7D 0 -0.00845 -0.00829 -0.00756 -0.01852 0.01291 36 7D+1 -0.03025 -0.01710 -0.01590 -0.01865 -0.02061 37 7D-1 0.00341 -0.00041 0.00313 0.00098 0.02283 38 7D+2 -0.00114 -0.00695 -0.01719 0.01275 -0.03129 39 7D-2 -0.00093 -0.03510 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-0.03127 -0.02520 -0.00148 0.01350 60 7D+2 -0.00295 0.00400 -0.00174 0.00013 0.00227 61 7D-2 0.00098 0.00886 0.01254 0.00055 0.01466 62 8D 0 0.00965 0.00096 -0.00211 -0.00301 -0.01106 63 8D+1 0.01131 -0.01004 -0.00480 0.00294 0.00193 64 8D-1 -0.00204 -0.01523 -0.00158 0.00274 0.00205 65 8D+2 -0.00155 0.00211 -0.00237 0.00133 0.00060 66 8D-2 -0.00148 0.00288 0.00154 -0.00115 0.00072 67 4 Cu 1S -0.00002 0.00031 -0.00142 0.00004 0.00309 68 2S -0.00078 0.01356 -0.00532 0.00007 0.01067 69 3S -0.01971 0.31950 0.18647 -0.00494 0.99653 70 4PX -0.00192 -0.00120 0.00965 -0.00531 -0.02391 71 4PY 0.00029 -0.00050 0.00538 0.00088 -0.00074 72 4PZ 0.00152 -0.00149 0.01229 0.00346 -0.03252 73 5PX 0.00699 -0.01214 -0.07787 0.07380 0.23511 74 5PY -0.00375 0.03440 -0.11293 -0.01075 -0.16325 75 5PZ -0.00321 -0.02617 -0.08340 -0.05129 0.36289 76 6PX 0.78207 -0.32904 -0.11108 -0.24790 -0.60945 77 6PY -0.10833 -0.44254 0.37831 0.02586 3.08360 78 6PZ -0.52720 -0.40806 -0.23399 0.18915 -1.60299 79 7D 0 0.01153 -0.00792 -0.00892 -0.01243 -0.00113 80 7D+1 0.00084 -0.04398 0.00318 0.00518 0.00622 81 7D-1 0.03120 -0.01709 -0.00471 -0.00038 -0.00877 82 7D+2 -0.01954 0.00999 -0.01789 0.00630 -0.00913 83 7D-2 -0.03932 -0.02182 0.00256 -0.00226 -0.00256 84 8D 0 0.00160 -0.00344 -0.00141 -0.00106 0.00246 85 8D+1 0.00135 -0.01506 0.00159 0.00034 0.00748 86 8D-1 0.01089 -0.00607 -0.00350 -0.00040 -0.01438 87 8D+2 -0.00551 0.00227 -0.00443 0.00076 -0.00566 88 8D-2 -0.01435 -0.00728 -0.00088 0.00051 -0.00770 89 5 Cu 1S -0.00010 -0.00023 -0.00055 0.00041 -0.00285 90 2S -0.11385 -0.06720 -0.03616 -0.05840 -0.02562 91 3S -1.50432 -0.90470 -0.83492 -1.27104 -0.50850 92 4PX -0.00259 0.01965 -0.00215 0.02767 -0.01461 93 4PY -0.01476 0.00723 -0.02361 -0.01624 0.01723 94 4PZ 0.00370 0.00467 -0.01533 -0.01277 -0.00186 95 5PX 0.03844 0.01004 0.03202 -0.11596 0.10639 96 5PY -0.03816 -0.04178 0.09502 0.05562 -0.09393 97 5PZ -0.06514 -0.04526 0.03355 0.02119 -0.02496 98 6PX 0.19726 0.69481 -0.73093 0.93457 0.28592 99 6PY -0.54368 -0.01864 -1.24548 -0.46429 -1.10750 100 6PZ -0.87055 -0.36715 0.49461 1.28372 1.02088 101 7D 0 0.00507 0.00901 0.01506 0.01668 0.02989 102 7D+1 0.00210 0.01528 0.00814 -0.02793 -0.02777 103 7D-1 -0.02304 0.00443 0.01669 0.02271 -0.00270 104 7D+2 0.02568 -0.04419 0.04138 -0.00664 0.00086 105 7D-2 0.00314 0.02127 -0.00121 0.03294 -0.00513 106 8D 0 0.00427 0.00363 0.00150 0.00310 0.00196 107 8D+1 0.00235 0.00626 0.00324 -0.00311 -0.00683 108 8D-1 -0.00946 0.00015 0.00122 0.00223 0.00361 109 8D+2 0.01067 -0.01454 0.00934 -0.00141 -0.00096 110 8D-2 0.00496 0.00977 0.00095 0.00868 -0.00178 111 6 Cu 1S 0.00005 -0.00134 0.00144 -0.00001 -0.00037 112 2S -0.00464 0.19356 -0.00979 0.00005 0.05838 113 3S -0.06806 2.82185 -0.48176 0.00006 0.78166 114 4PX 0.00298 -0.00038 -0.00794 -0.04017 0.02025 115 4PY -0.00080 0.01407 -0.02399 0.00594 -0.01095 116 4PZ -0.00207 -0.00355 -0.00637 0.02829 0.03137 117 5PX -0.01372 0.12025 0.00069 0.24893 -0.07274 118 5PY 0.00203 -0.00606 0.06826 -0.03781 0.07413 119 5PZ 0.00406 0.17235 -0.01237 -0.17541 -0.12295 120 6PX -0.03903 0.75129 0.10876 1.37869 -0.03921 121 6PY 0.00828 -0.01369 1.83973 -0.18813 -0.33269 122 6PZ -0.00524 1.05922 -0.22458 -0.96746 0.02407 123 7D 0 -0.00388 0.00463 -0.01187 -0.00826 0.02067 124 7D+1 0.00526 0.00272 -0.00066 0.00691 -0.00269 125 7D-1 0.02319 0.01890 0.01912 0.01984 -0.00106 126 7D+2 -0.00868 0.01153 -0.01330 -0.00447 0.03577 127 7D-2 -0.03377 0.00901 0.01834 -0.02973 -0.01231 128 8D 0 -0.00046 0.00209 -0.00316 -0.00269 0.00597 129 8D+1 0.00190 -0.00131 -0.00164 0.00161 0.00250 130 8D-1 0.01057 0.01059 -0.00101 0.00256 0.00067 131 8D+2 -0.00466 0.00737 -0.00443 0.00026 0.00849 132 8D-2 -0.01517 0.00453 0.00061 -0.00442 -0.00193 133 7 Cu 1S 0.00010 -0.00021 -0.00059 -0.00036 -0.00287 134 2S 0.11760 -0.06171 -0.03744 0.05780 -0.02316 135 3S 1.54779 -0.83065 -0.85421 1.26258 -0.46813 136 4PX -0.00125 -0.00048 -0.01860 0.02388 0.00749 137 4PY 0.01462 0.01100 -0.02110 0.00791 0.01408 138 4PZ 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0.00029 -0.03141 158 4PX 0.02095 -0.01011 0.07564 -0.11124 0.00860 159 4PY -0.00313 -0.00682 0.05301 0.01924 0.05301 160 4PZ -0.01365 -0.01403 0.09622 0.07774 -0.00225 161 5PX 0.02201 -0.01318 0.07557 -0.09451 0.06621 162 5PY -0.00411 0.00828 0.03556 0.01656 -0.16661 163 5PZ -0.01334 -0.02154 0.10003 0.06560 0.13219 164 9 O 1S 0.00005 -0.00116 0.00897 -0.00029 -0.03021 165 2S -0.00018 0.00321 -0.02535 0.00080 0.09403 166 3S -0.00043 0.01052 -0.04886 0.00163 0.11520 167 4PX -0.02063 0.00518 0.00309 -0.00880 0.02032 168 4PY 0.00290 0.00936 0.00603 0.00131 -0.00005 169 4PZ 0.01411 0.00607 0.00282 0.00625 0.02741 170 5PX -0.01766 0.00657 -0.02110 0.02584 0.00080 171 5PY 0.00263 0.00697 -0.01434 -0.00477 -0.05039 172 5PZ 0.01170 0.00851 -0.02746 -0.01821 0.01384 96 97 98 99 100 V V V V V EIGENVALUES -- 0.05956 0.06165 0.07051 0.07165 0.08310 1 1 Cu 1S 0.00167 -0.00003 0.00184 0.00009 -0.00001 2 2S -0.02861 -0.00008 -0.00587 -0.00015 0.00136 3 3S -0.58045 0.01131 -0.31059 -0.00788 0.03938 4 4PX 0.00014 -0.01454 0.03818 0.02112 -0.00752 5 4PY 0.04354 0.00166 0.04652 -0.00120 0.00159 6 4PZ -0.00921 0.01007 0.04614 -0.01194 0.00561 7 5PX 0.03101 0.12925 -0.18471 -0.10050 0.03540 8 5PY -0.25860 -0.01813 -0.24674 0.00462 -0.00861 9 5PZ 0.10027 -0.09099 -0.21824 0.05628 -0.02639 10 6PX -0.88811 -1.16154 0.62375 -0.30344 2.41075 11 6PY 2.42262 0.17825 0.34181 0.07127 -0.31576 12 6PZ -1.78968 0.80154 0.80723 0.25186 -1.66687 13 7D 0 0.03395 -0.00248 -0.00090 0.00104 0.00312 14 7D+1 0.01588 -0.00296 -0.00736 -0.00212 -0.00054 15 7D-1 0.00899 -0.02817 -0.01683 -0.00979 0.00846 16 7D+2 0.04826 0.01396 -0.00141 0.00352 -0.00502 17 7D-2 -0.00682 0.03887 -0.01306 0.01252 -0.01186 18 8D 0 0.00501 0.00103 -0.00098 0.00602 -0.00127 19 8D+1 0.00065 -0.00096 -0.00614 -0.00308 0.00052 20 8D-1 -0.00255 -0.00397 -0.00626 -0.00167 -0.00020 21 8D+2 0.00716 0.00118 0.00123 -0.00247 0.00070 22 8D-2 -0.00398 0.00583 -0.00565 0.00331 -0.00017 23 2 Cu 1S -0.00086 0.00017 0.00073 0.00204 0.00018 24 2S -0.02324 -0.05731 -0.00470 0.00008 0.03440 25 3S -0.33895 -1.08995 -0.21801 -0.34626 0.97906 26 4PX -0.00853 -0.00665 0.00478 0.01154 0.00906 27 4PY 0.02193 0.01662 -0.02280 0.04394 0.00644 28 4PZ 0.00290 -0.02820 -0.04634 -0.00498 -0.00278 29 5PX 0.08108 0.10957 0.00850 -0.00111 -0.04801 30 5PY -0.06815 -0.10929 0.19093 -0.23429 -0.04878 31 5PZ 0.03532 0.10690 0.27386 -0.02161 0.03437 32 6PX -0.23343 -0.12853 1.15938 2.20411 -4.54038 33 6PY -0.97461 1.40021 -0.20608 -0.40621 2.24275 34 6PZ -1.22782 -0.35734 0.24891 -0.01088 -0.85822 35 7D 0 -0.01876 0.00280 -0.05218 0.01980 -0.00477 36 7D+1 -0.01326 -0.01260 0.00977 -0.00216 -0.01832 37 7D-1 0.00905 0.03280 -0.00644 0.00066 0.00798 38 7D+2 0.00172 0.00872 -0.02361 0.02057 0.04093 39 7D-2 0.00076 0.01823 0.00469 -0.00502 0.00100 40 8D 0 -0.00157 0.00106 -0.00959 0.00215 0.00167 41 8D+1 -0.00208 -0.00057 0.00308 -0.00001 -0.00254 42 8D-1 0.00308 0.00577 -0.00021 0.00004 0.00147 43 8D+2 -0.00101 -0.00053 -0.00261 0.00603 0.00471 44 8D-2 -0.00051 0.00218 0.00062 -0.00191 0.00045 45 3 Cu 1S -0.00084 -0.00025 0.00087 -0.00198 -0.00016 46 2S -0.02306 0.05747 -0.00498 -0.00038 -0.03288 47 3S -0.33689 1.09564 -0.24523 0.32838 -0.94145 48 4PX 0.00986 0.02134 -0.04857 -0.00427 0.00427 49 4PY 0.01933 -0.01889 -0.01095 -0.04664 -0.00885 50 4PZ -0.00981 0.01825 -0.00817 -0.00343 -0.00741 51 5PX -0.00811 -0.04723 0.28188 0.08780 -0.03738 52 5PY -0.05655 0.09827 0.12958 0.23630 0.06305 53 5PZ 0.09678 -0.15413 0.07778 -0.01894 0.03208 54 6PX -1.23096 0.04068 -0.24653 0.77497 -1.19354 55 6PY -0.79878 -1.39630 -0.01080 -0.06236 -1.42521 56 6PZ -0.51773 0.45306 1.33734 -1.99283 4.65339 57 7D 0 -0.00122 0.00875 0.00505 -0.00803 -0.01859 58 7D+1 -0.02152 0.00786 -0.01405 -0.00404 0.02683 59 7D-1 0.00688 -0.03112 -0.00204 -0.00107 -0.01700 60 7D+2 -0.00600 -0.01487 -0.05305 -0.03064 -0.02512 61 7D-2 0.00835 -0.01848 0.01251 0.00927 0.00733 62 8D 0 -0.00159 0.00202 0.00307 -0.00385 -0.00110 63 8D+1 -0.00250 -0.00052 -0.00231 0.00063 0.00206 64 8D-1 0.00055 -0.00373 0.00019 -0.00004 -0.00227 65 8D+2 0.00011 -0.00190 -0.00892 -0.00569 -0.00485 66 8D-2 0.00298 -0.00424 0.00307 0.00182 0.00103 67 4 Cu 1S 0.00255 0.00011 -0.00083 -0.00007 0.00003 68 2S 0.02378 0.00123 0.00706 0.00064 0.00066 69 3S -0.49941 -0.01189 -0.23183 -0.01294 0.00416 70 4PX -0.02671 -0.05095 -0.01988 -0.04460 -0.01856 71 4PY -0.03492 0.00828 -0.03810 0.00516 0.00247 72 4PZ -0.03084 0.03568 -0.02370 0.02986 0.01254 73 5PX 0.12232 0.30070 0.11645 0.33688 0.10162 74 5PY 0.29225 -0.04602 0.34490 -0.03466 -0.01426 75 5PZ 0.11213 -0.21402 0.11799 -0.23143 -0.06824 76 6PX 2.61891 3.52045 -0.63883 -2.00698 0.63036 77 6PY 2.64335 -0.58106 -2.07232 0.21083 -0.06165 78 6PZ 3.17558 -2.45123 -0.63765 1.38813 -0.43123 79 7D 0 0.01109 -0.01559 0.03558 -0.04963 -0.02059 80 7D+1 0.01281 0.00869 0.00435 0.02210 0.00903 81 7D-1 0.00528 0.01243 0.00464 -0.00133 -0.00149 82 7D+2 0.01083 0.00216 0.05247 0.02952 0.01209 83 7D-2 0.00170 -0.02143 -0.01246 -0.01169 -0.00385 84 8D 0 0.00252 -0.00340 0.00608 -0.00814 -0.00579 85 8D+1 -0.00001 0.00175 -0.00132 0.00358 0.00252 86 8D-1 0.00641 0.00229 0.00312 0.00026 -0.00057 87 8D+2 0.00614 0.00080 0.01107 0.00480 0.00340 88 8D-2 0.00259 -0.00378 -0.00135 -0.00225 -0.00097 89 5 Cu 1S -0.00020 0.00207 -0.00033 0.00119 0.00004 90 2S 0.00231 -0.01852 0.00228 -0.00672 0.05596 91 3S 0.50158 -0.83861 0.29788 -0.40488 1.53157 92 4PX -0.01242 -0.00287 -0.00683 0.04293 -0.00436 93 4PY -0.01804 -0.00142 0.03469 -0.03549 -0.00662 94 4PZ 0.02710 -0.05054 0.02592 -0.03694 -0.01359 95 5PX 0.07516 0.06132 0.03554 -0.20025 0.02928 96 5PY 0.13575 -0.00917 -0.15659 0.16944 0.02846 97 5PZ -0.10042 0.27008 -0.11681 0.18465 0.10676 98 6PX -0.86127 -1.05552 -0.97564 0.27726 1.72699 99 6PY -1.02965 0.57301 0.35747 -1.22215 0.73183 100 6PZ 0.42805 -1.48995 -0.27038 0.00914 -1.59865 101 7D 0 0.00108 -0.04147 -0.01043 0.00332 -0.01118 102 7D+1 -0.03270 -0.01279 -0.01344 -0.00142 0.02254 103 7D-1 -0.01432 -0.01841 0.00184 -0.01695 -0.00916 104 7D+2 0.01927 0.00154 0.00551 0.01005 0.00213 105 7D-2 0.00376 -0.01139 -0.00536 0.00901 0.02474 106 8D 0 0.00378 -0.00872 -0.00043 -0.00145 -0.00053 107 8D+1 -0.00656 -0.00039 -0.00494 0.00092 0.00204 108 8D-1 -0.00276 -0.00445 0.00038 -0.00538 -0.00206 109 8D+2 0.00242 0.00033 -0.00557 -0.00053 0.00130 110 8D-2 0.00017 -0.00006 -0.00138 0.00727 0.00216 111 6 Cu 1S -0.00045 -0.00003 -0.00198 -0.00009 -0.00001 112 2S 0.04476 0.00005 0.00655 -0.00003 -0.00069 113 3S 0.79501 0.00223 0.45943 0.01514 -0.01998 114 4PX 0.01301 0.01297 0.02398 -0.04256 -0.00138 115 4PY -0.01392 -0.00195 -0.00090 0.00662 0.00102 116 4PZ 0.02110 -0.00911 0.03061 0.03190 0.00169 117 5PX -0.04328 -0.00263 -0.09651 0.29146 0.00789 118 5PY 0.11872 -0.00087 0.06138 -0.04271 -0.00603 119 5PZ -0.08412 0.00202 -0.12509 -0.21365 -0.00973 120 6PX 0.76417 -0.76284 0.63281 0.00557 -2.12755 121 6PY -0.40763 0.12887 2.56251 0.10820 0.19469 122 6PZ 1.19384 0.55147 0.34646 0.03754 1.51189 123 7D 0 0.00426 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73 5PX 0.06382 -0.06036 -0.03047 0.00709 0.27313 74 5PY 0.06046 -0.17314 -0.03513 -0.00388 0.22211 75 5PZ 0.00129 -0.07966 -0.03556 -0.00557 0.31508 76 6PX -1.50349 3.89609 -0.18192 -0.71739 -0.57986 77 6PY -3.03726 7.77834 -0.19450 0.12086 -0.35789 78 6PZ -1.50207 3.81949 -0.23568 0.50230 -0.71772 79 7D 0 0.00030 -0.00514 0.01265 0.02309 -0.02501 80 7D+1 0.00442 -0.00879 0.07698 -0.00161 0.00854 81 7D-1 -0.00895 0.02817 0.02320 0.04764 -0.03147 82 7D+2 -0.00280 0.00714 -0.02271 -0.03302 -0.06160 83 7D-2 -0.00895 0.01499 0.03340 -0.06066 -0.00145 84 8D 0 0.00021 0.00076 0.00342 0.00438 -0.00382 85 8D+1 0.00024 -0.00091 0.01933 0.00046 0.00185 86 8D-1 -0.00198 0.00713 0.00378 0.01262 -0.00940 87 8D+2 -0.00196 0.00355 -0.00601 -0.00806 -0.01129 88 8D-2 -0.00220 0.00324 0.00702 -0.01691 -0.00276 89 5 Cu 1S 0.00065 0.00033 0.00093 -0.00305 0.00319 90 2S 0.00025 0.01762 -0.00374 -0.00065 0.01346 91 3S -0.14719 0.25804 -0.33842 0.29537 0.85429 92 4PX 0.05415 0.03798 -0.05753 -0.01974 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-0.00142 0.07838 0.00076 -0.01716 113 3S 0.09156 -0.24186 1.57129 0.01573 -0.91475 114 4PX -0.02758 -0.02208 0.03060 0.00047 0.01227 115 4PY -0.00107 0.01658 -0.03966 -0.00040 0.07881 116 4PZ 0.02862 -0.00856 0.05202 0.00046 0.00265 117 5PX 0.18733 0.16953 -0.20381 0.01503 -0.21645 118 5PY 0.00617 -0.11374 0.36219 0.00110 -1.05627 119 5PZ -0.20872 0.08041 -0.36725 -0.01572 -0.11389 120 6PX -2.65310 -0.47525 0.99067 0.60434 0.06651 121 6PY 0.33277 0.27231 -0.52358 -0.09217 2.61326 122 6PZ 1.46128 1.35551 1.51822 -0.40256 -0.47137 123 7D 0 0.00536 0.00263 -0.03096 -0.00931 0.01374 124 7D+1 -0.00832 -0.00046 -0.06369 0.00179 0.01885 125 7D-1 -0.03698 -0.00425 0.00322 -0.00681 -0.03954 126 7D+2 0.01080 0.00627 -0.00772 0.00780 -0.00054 127 7D-2 0.04571 0.02474 -0.00229 0.00781 -0.03203 128 8D 0 -0.00076 -0.00100 -0.00765 -0.00169 0.00744 129 8D+1 -0.00121 -0.00039 -0.01849 0.00020 0.00776 130 8D-1 -0.01219 -0.00067 0.00255 -0.00139 -0.01473 131 8D+2 0.00516 0.00205 0.00045 0.00155 0.00265 132 8D-2 0.01374 0.00825 -0.00032 0.00172 -0.01223 133 7 Cu 1S -0.00065 -0.00024 0.00088 0.00306 0.00400 134 2S -0.01189 0.01281 -0.00349 0.00107 0.01792 135 3S -0.07199 0.30084 -0.33106 -0.31787 0.89062 136 4PX 0.00592 0.00025 -0.02662 -0.05532 0.00374 137 4PY -0.05539 -0.00521 -0.02301 0.06275 -0.06411 138 4PZ -0.05669 -0.00811 -0.06671 -0.01248 -0.00524 139 5PX -0.03896 0.02180 0.21361 0.50713 0.09594 140 5PY 0.43808 0.04512 0.20879 -0.55801 0.99376 141 5PZ 0.44117 0.04994 0.59151 0.11971 0.05754 142 6PX -0.63386 1.72217 -0.56827 -1.19843 0.10018 143 6PY 1.06142 -3.08308 0.09461 1.07507 -0.88442 144 6PZ -0.12814 -0.01938 -0.67988 -0.68863 -0.78429 145 7D 0 0.01151 -0.00839 -0.00817 -0.00519 -0.04625 146 7D+1 -0.00403 0.00532 -0.01483 -0.00699 -0.00913 147 7D-1 -0.00106 -0.00444 0.00154 0.00984 -0.02201 148 7D+2 0.00935 -0.00915 0.00022 0.01308 -0.04533 149 7D-2 0.00148 -0.01034 -0.00329 0.01263 0.04887 150 8D 0 0.00649 -0.00105 0.00081 -0.00265 -0.01198 151 8D+1 -0.00230 0.00051 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0.01974 -0.05252 -0.02034 0.00644 0.09793 172 5PZ -0.01227 0.02380 -0.01565 0.03019 -0.02489 111 112 113 114 115 V V V V V EIGENVALUES -- 0.19106 0.19731 0.21666 0.23456 0.24325 1 1 Cu 1S -0.00044 -0.00207 0.00896 -0.00009 -0.00018 2 2S -0.00219 -0.00161 0.06161 -0.00045 -0.00081 3 3S -0.01438 1.32807 -0.94973 0.04081 0.01845 4 4PX 0.06247 0.03540 0.00245 -0.02646 -0.02118 5 4PY -0.01043 -0.04477 0.03178 0.00346 0.00329 6 4PZ -0.04404 0.05831 -0.00271 0.01974 0.01490 7 5PX -0.91809 -0.67365 0.03603 0.57447 0.71012 8 5PY 0.15118 0.51824 -0.50542 -0.07779 -0.11166 9 5PZ 0.64757 -1.04554 0.14825 -0.43264 -0.50448 10 6PX 1.62841 0.41279 0.07064 -0.34211 -1.54578 11 6PY -0.26013 -1.05659 0.93056 0.02932 0.23288 12 6PZ -1.14425 0.75953 -0.08177 0.24552 1.08286 13 7D 0 -0.07141 0.05601 -0.04564 0.03064 0.09358 14 7D+1 0.02495 0.05273 -0.00425 -0.00531 -0.04148 15 7D-1 -0.02627 0.03444 0.01935 0.04512 -0.00542 16 7D+2 0.05114 0.07041 -0.06801 -0.03214 -0.04678 17 7D-2 0.01986 0.00942 0.03330 -0.05470 0.03219 18 8D 0 -0.01581 0.01146 -0.00711 0.01579 0.02803 19 8D+1 0.00571 0.01401 -0.00231 -0.00611 -0.01065 20 8D-1 -0.00642 0.00916 0.01362 0.00230 0.00987 21 8D+2 0.01101 0.01294 -0.00624 -0.00886 -0.01878 22 8D-2 0.00454 0.00416 0.01115 0.00066 -0.00611 23 2 Cu 1S 0.00570 -0.00673 0.01142 0.00281 -0.00241 24 2S 0.02939 -0.07637 0.02739 -0.00951 -0.00215 25 3S 0.24625 -1.68772 -0.22123 -1.55585 0.63853 26 4PX -0.08135 -0.02157 0.00312 -0.03290 0.00973 27 4PY 0.00811 0.00651 -0.01823 0.03842 0.06355 28 4PZ -0.03246 0.03253 -0.02256 0.02467 0.06182 29 5PX 1.12129 0.17680 -0.07296 0.74677 -0.22481 30 5PY -0.07413 -0.02790 0.10781 -0.64048 -1.35525 31 5PZ 0.43253 -0.56193 0.45517 -0.40336 -1.26756 32 6PX -2.49723 -0.62223 -0.11328 -0.81045 0.28786 33 6PY 0.40716 0.93065 -0.43338 1.69434 2.57040 34 6PZ -0.53592 -0.11922 -0.89139 0.30068 2.89007 35 7D 0 0.05196 -0.03755 0.01696 0.01093 -0.06620 36 7D+1 0.06529 -0.03634 -0.00601 0.02092 0.03223 37 7D-1 0.01117 -0.04480 -0.03869 -0.06674 0.00742 38 7D+2 -0.02966 0.01171 -0.00461 -0.05116 -0.02778 39 7D-2 0.00950 -0.03054 0.02845 -0.00780 0.03812 40 8D 0 0.01417 -0.01093 0.00939 -0.00037 -0.02656 41 8D+1 0.01857 -0.01269 -0.00379 0.00879 0.01133 42 8D-1 0.00289 -0.01783 -0.01774 -0.01628 0.00170 43 8D+2 -0.01177 0.00309 0.00031 -0.01637 -0.01202 44 8D-2 0.00417 -0.00711 0.00862 0.00147 0.01420 45 3 Cu 1S -0.00640 -0.00671 0.01142 -0.00351 0.00270 46 2S -0.03383 -0.07622 0.02786 0.00500 0.00341 47 3S -0.27764 -1.68519 -0.21328 1.49580 -0.65504 48 4PX 0.00130 0.03889 -0.02623 -0.03913 -0.06678 49 4PY 0.00182 -0.00151 -0.01451 -0.02736 -0.05462 50 4PZ 0.09236 -0.00803 -0.00227 0.02770 -0.02192 51 5PX -0.00856 -0.59042 0.46748 0.70365 1.36780 52 5PY -0.06358 0.07138 0.03948 0.41927 1.17596 53 5PZ -1.26996 -0.04588 0.06903 -0.65651 0.46621 54 6PX -0.39771 0.28504 -0.90852 -0.85969 -3.10147 55 6PY 0.02850 0.82402 -0.36435 -1.41492 -2.13716 56 6PZ 2.67555 -0.70802 -0.31205 0.88761 -0.92929 57 7D 0 0.00838 0.01022 -0.01453 0.02269 -0.01015 58 7D+1 -0.08445 -0.05692 0.01460 -0.03943 -0.00295 59 7D-1 0.01210 -0.03381 0.00931 0.04942 -0.03109 60 7D+2 -0.00565 -0.01901 -0.00769 0.04163 0.07765 61 7D-2 -0.02188 -0.03477 -0.04419 0.04072 -0.02577 62 8D 0 0.00504 0.00147 -0.00524 0.00608 -0.00285 63 8D+1 -0.02509 -0.01736 0.00520 -0.01260 -0.00023 64 8D-1 0.00349 -0.01004 0.00111 0.01030 -0.01102 65 8D+2 0.00031 -0.00723 0.00032 0.01569 0.03117 66 8D-2 -0.00652 -0.01508 -0.02018 0.00841 -0.00936 67 4 Cu 1S 0.00041 0.01189 -0.04678 0.00075 -0.00016 68 2S 0.00435 0.18382 -0.26481 0.00549 -0.00102 69 3S 0.02412 3.04766 5.11511 -0.01506 0.00344 70 4PX -0.00178 -0.02559 0.03801 0.10758 -0.01556 71 4PY 0.00013 0.00780 0.02777 -0.01735 0.00240 72 4PZ -0.00023 -0.03633 0.04532 -0.07710 0.01099 73 5PX -0.06952 0.28623 -0.06849 -1.91976 0.31921 74 5PY 0.02228 -0.09585 -2.06046 0.32520 -0.05440 75 5PZ 0.06254 0.40515 0.43061 1.34886 -0.22219 76 6PX -0.40215 -1.21664 -0.07580 2.07153 -0.27388 77 6PY 0.05502 0.09576 3.15326 -0.34409 0.04149 78 6PZ 0.25935 -1.67953 -0.92279 -1.46850 0.18671 79 7D 0 -0.02792 0.00301 0.03258 -0.06212 0.00843 80 7D+1 0.01239 0.02076 0.02003 0.02198 -0.00278 81 7D-1 0.00150 -0.05785 -0.03983 -0.03208 0.00545 82 7D+2 0.01106 -0.02913 0.03201 0.04505 -0.00669 83 7D-2 -0.00992 -0.02975 -0.03600 0.02758 -0.00519 84 8D 0 -0.00376 0.00086 0.00649 -0.01989 0.00298 85 8D+1 0.00186 0.01097 0.02387 0.00713 -0.00090 86 8D-1 0.00127 -0.02903 -0.06419 -0.00673 0.00268 87 8D+2 0.00092 -0.01576 -0.02506 0.01360 -0.00284 88 8D-2 -0.00298 -0.01446 -0.03448 0.00486 -0.00323 89 5 Cu 1S 0.00721 -0.00504 -0.00227 0.00306 0.00178 90 2S 0.03954 -0.01244 0.02254 0.03856 0.00127 91 3S 0.63088 0.50695 -1.38538 1.32345 -0.57587 92 4PX 0.04883 0.04893 -0.00449 -0.00266 0.02076 93 4PY 0.00212 -0.00828 -0.02449 -0.00317 0.01900 94 4PZ 0.00853 0.03118 0.01321 -0.04450 0.01038 95 5PX -0.75994 -0.82534 0.13324 0.08573 -0.65978 96 5PY 0.03523 0.18827 0.39423 -0.07951 -0.61211 97 5PZ -0.12537 -0.35719 -0.51980 1.18964 -0.33316 98 6PX 1.08951 0.96906 0.18380 -0.20855 1.37903 99 6PY 0.33686 0.61331 -0.98126 0.84119 0.79742 100 6PZ 0.34322 0.40134 0.38555 -1.33778 0.35703 101 7D 0 -0.00753 -0.05404 -0.01462 0.10978 -0.00572 102 7D+1 0.00147 -0.02087 0.01291 -0.01270 0.03589 103 7D-1 -0.02941 0.02785 0.02724 0.05834 -0.00379 104 7D+2 0.02748 0.05627 -0.02894 0.01095 0.09442 105 7D-2 -0.07025 -0.01542 -0.01907 0.00546 -0.03350 106 8D 0 -0.00743 -0.00658 -0.02983 0.03868 -0.00552 107 8D+1 -0.00142 -0.00559 0.00704 -0.01445 0.00088 108 8D-1 -0.00097 0.00441 0.00570 0.00642 -0.01054 109 8D+2 0.00775 0.01223 -0.00762 -0.00042 0.03627 110 8D-2 -0.01401 -0.00751 -0.00430 -0.00086 -0.00931 111 6 Cu 1S 0.00019 -0.00939 0.00907 -0.00020 -0.00010 112 2S 0.00042 -0.08317 0.01421 -0.00108 -0.00026 113 3S -0.03635 -1.58266 -0.39210 -0.00993 0.02352 114 4PX 0.03632 0.00398 0.00487 -0.03877 0.07729 115 4PY -0.00152 -0.07128 0.00514 0.00556 -0.01204 116 4PZ -0.02545 0.01972 0.00715 0.02748 -0.05451 117 5PX -0.52840 -0.06533 -0.06214 0.55238 -1.55305 118 5PY 0.02281 1.14557 0.00499 -0.07893 0.24252 119 5PZ 0.36418 -0.32075 -0.10061 -0.39280 1.09834 120 6PX 0.46665 -0.51669 -0.02225 -1.04919 3.37782 121 6PY 0.04779 -1.57667 -0.26522 0.15565 -0.52950 122 6PZ -0.34932 -0.42146 0.09575 0.73102 -2.36784 123 7D 0 0.03418 -0.00108 -0.00168 -0.00358 0.07064 124 7D+1 -0.02372 0.07453 0.00565 0.00251 -0.02615 125 7D-1 -0.06435 0.03709 0.00917 0.00297 0.02931 126 7D+2 0.00992 -0.03986 -0.00406 0.00064 -0.04973 127 7D-2 0.09359 0.04884 0.00827 -0.00426 -0.02227 128 8D 0 0.00740 0.00101 0.00070 -0.00615 0.02769 129 8D+1 -0.00580 0.02509 0.00356 0.00227 -0.01008 130 8D-1 -0.01951 0.01124 0.00663 -0.00334 0.01273 131 8D+2 0.00468 -0.01177 0.00084 0.00460 -0.01998 132 8D-2 0.02731 0.01503 0.00488 0.00292 -0.01022 133 7 Cu 1S -0.00687 -0.00494 -0.00277 -0.00279 -0.00173 134 2S -0.03789 -0.01180 0.02016 -0.03695 -0.00105 135 3S -0.56770 0.48646 -1.43432 -1.28093 0.54775 136 4PX 0.00726 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0.09511 -0.00548 0.04512 47 3S 7.02679 6.22270 4.00811 -0.00219 -0.39647 48 4PX -0.07690 -0.03609 -0.02544 0.00378 0.00385 49 4PY 0.06369 0.05715 0.03655 -0.00066 -0.00065 50 4PZ 0.03674 0.00885 -0.00464 0.00360 -0.00445 51 5PX 2.34483 0.70163 0.82864 0.09830 -0.11950 52 5PY -1.36486 -2.52353 -0.93689 0.02905 0.11063 53 5PZ -1.40310 0.23862 -0.08467 0.36263 -0.06041 54 6PX 0.72388 0.30443 0.33467 -0.73840 0.27394 55 6PY -0.69829 -0.71726 -0.78458 -0.40824 0.10462 56 6PZ -0.35107 -0.31632 -0.13503 0.02246 0.06988 57 7D 0 0.00007 -0.07583 -0.02305 -0.02840 0.02484 58 7D+1 -0.05143 0.04282 -0.01549 -0.00757 0.02649 59 7D-1 0.03707 -0.00614 -0.01788 -0.03188 -0.02663 60 7D+2 0.05557 -0.06576 -0.01054 -0.00327 0.00000 61 7D-2 -0.03822 -0.05634 -0.01712 0.01407 0.03401 62 8D 0 -0.00496 -0.01058 0.00094 0.00222 -0.01569 63 8D+1 -0.02294 0.01155 -0.00107 0.01559 -0.03841 64 8D-1 0.01980 -0.01193 0.01362 -0.00334 0.04166 65 8D+2 0.01222 -0.02802 0.01058 0.00914 0.00427 66 8D-2 -0.02018 -0.01288 0.00203 -0.00826 -0.03286 67 4 Cu 1S 0.00051 0.01002 0.00056 0.00700 -0.07246 68 2S 0.00444 -0.01594 0.00346 0.05950 -0.20850 69 3S 0.02988 -2.83318 0.02005 0.39077 3.40753 70 4PX -0.04450 -0.02262 -0.01106 -0.02351 0.01441 71 4PY 0.00846 0.13424 0.00397 0.01204 -0.03058 72 4PZ 0.03718 -0.06420 0.00617 -0.03710 0.02730 73 5PX 1.64002 0.48469 0.82392 0.77786 -0.02391 74 5PY -0.31804 -4.25088 -0.18122 0.17681 -0.12177 75 5PZ -1.35197 1.74364 -0.54970 1.10416 -0.00224 76 6PX -0.34645 -0.28267 2.42221 1.70925 -0.27605 77 6PY 0.09588 -1.58456 -0.42345 2.44137 -0.69602 78 6PZ 0.26791 0.01432 -1.72231 1.98438 -0.22605 79 7D 0 0.09723 0.01281 -0.01084 0.00788 -0.03191 80 7D+1 -0.04062 0.00778 0.00312 0.00624 -0.08898 81 7D-1 -0.02294 -0.00831 -0.01300 -0.03046 0.13411 82 7D+2 -0.03167 0.01567 0.01029 -0.00065 0.05020 83 7D-2 0.05633 -0.01013 0.01272 -0.02034 0.07108 84 8D 0 0.02425 0.00649 -0.01895 0.02099 0.04795 85 8D+1 -0.01116 0.00880 0.01166 0.00967 0.13657 86 8D-1 -0.01164 0.00237 0.02370 0.03402 -0.21885 87 8D+2 -0.00484 0.00631 0.00046 0.03837 -0.08262 88 8D-2 0.02364 0.00041 -0.03562 0.01289 -0.11645 89 5 Cu 1S -0.01198 0.01540 0.02581 -0.01639 -0.02653 90 2S -0.10450 -0.03753 0.09975 -0.10392 -0.04075 91 3S -1.01690 -3.61687 0.11024 -1.42178 -0.51424 92 4PX -0.01883 -0.01427 0.00019 -0.01537 -0.00403 93 4PY 0.01966 0.02110 -0.00360 0.00347 0.00283 94 4PZ 0.01303 0.03182 -0.02280 0.03203 -0.00152 95 5PX 0.64642 0.32122 0.01184 0.55599 0.01171 96 5PY -0.31301 -0.97985 0.33756 -0.28767 0.03897 97 5PZ -0.49381 -0.63743 0.03940 -0.23423 -0.15634 98 6PX 0.27738 0.53965 -0.70733 -0.27373 0.01586 99 6PY -0.17354 0.00025 0.25712 -0.95812 0.21364 100 6PZ 0.22058 -0.23012 -0.30976 0.01334 -0.42432 101 7D 0 -0.03932 -0.01295 0.01378 -0.02034 0.05118 102 7D+1 -0.02958 0.01076 -0.00662 -0.00346 0.00240 103 7D-1 0.03592 0.02717 -0.01041 0.00944 0.00125 104 7D+2 -0.02035 0.02385 -0.03428 -0.02699 0.00560 105 7D-2 0.00242 -0.02999 -0.01755 0.02148 0.00904 106 8D 0 0.00099 0.01670 -0.03907 0.04301 -0.07404 107 8D+1 0.01371 -0.00511 0.00041 -0.00001 -0.00775 108 8D-1 -0.01105 -0.00886 0.02267 -0.02082 0.00980 109 8D+2 -0.01018 0.02220 0.01069 0.00271 -0.00812 110 8D-2 0.00707 0.02034 0.01189 0.00010 -0.02112 111 6 Cu 1S -0.00155 -0.00574 -0.00008 0.00320 0.03161 112 2S -0.02032 -0.02693 0.00168 0.12771 0.03959 113 3S -0.60480 -1.35461 0.06457 4.75535 -0.55983 114 4PX -0.02243 0.01150 0.00143 -0.02989 0.00452 115 4PY 0.00747 0.00570 -0.00033 0.00983 0.00730 116 4PZ 0.02604 0.01452 -0.00175 -0.04445 0.00482 117 5PX 1.39191 -0.25261 0.18189 0.87689 -0.13974 118 5PY -0.35612 -1.38487 -0.04504 -0.29818 -0.01688 119 5PZ -1.25194 -0.00008 -0.10073 1.31844 -0.19675 120 6PX 0.40193 -0.24038 -0.55256 0.52841 -0.00058 121 6PY -0.09887 -0.83857 0.07069 0.13751 0.21151 122 6PZ -0.38185 -0.15088 0.39905 0.69788 -0.05380 123 7D 0 -0.09776 0.04345 0.00692 0.03363 -0.02208 124 7D+1 0.03407 0.01325 -0.00670 0.02661 -0.04476 125 7D-1 -0.03797 -0.03842 -0.02806 -0.03057 -0.02805 126 7D+2 0.06440 0.04690 0.00938 0.02779 -0.01585 127 7D-2 0.01866 -0.04251 0.03867 -0.02786 -0.02034 128 8D 0 -0.02638 0.01022 -0.01245 -0.00468 0.01732 129 8D+1 0.00800 0.00220 0.00606 -0.00684 0.04761 130 8D-1 -0.01301 -0.04461 0.00425 0.01208 0.04222 131 8D+2 0.01848 -0.00001 0.00472 0.00021 0.01068 132 8D-2 0.00689 -0.03231 -0.01020 0.00789 0.03233 133 7 Cu 1S 0.01107 0.01572 -0.02519 -0.01595 -0.02772 134 2S 0.09707 -0.03789 -0.10488 -0.10455 -0.04273 135 3S 0.96382 -3.64547 -0.32828 -1.47013 -0.50777 136 4PX -0.02084 0.03787 0.02494 0.03564 0.00047 137 4PY -0.01157 0.01411 0.00047 -0.00424 0.00176 138 4PZ 0.01486 -0.00636 0.00724 -0.00375 -0.00442 139 5PX 0.67137 -0.91341 -0.16656 -0.46999 -0.14048 140 5PY 0.01253 -0.78507 -0.34626 -0.13265 0.06802 141 5PZ -0.51451 0.23237 0.04310 0.47434 -0.05298 142 6PX -0.05209 -0.36988 -0.02321 -0.10194 -0.35335 143 6PY 0.10323 0.13831 -0.13434 -0.98269 0.26631 144 6PZ -0.35270 0.40467 0.81416 -0.13917 -0.16695 145 7D 0 0.03102 0.03054 0.02937 -0.02041 -0.01339 146 7D+1 0.03754 -0.01516 -0.00988 -0.00345 0.03043 147 7D-1 -0.01116 -0.00855 0.03184 0.01580 0.00565 148 7D+2 0.02279 0.01455 0.00153 -0.03032 0.03776 149 7D-2 -0.03564 0.03159 0.00242 0.01373 -0.01332 150 8D 0 0.00339 0.00462 -0.01610 -0.01002 0.01758 151 8D+1 -0.01672 0.00407 0.02498 0.02474 -0.04989 152 8D-1 0.00102 0.02135 -0.02533 -0.01029 -0.01108 153 8D+2 0.01369 0.01418 0.02047 0.02557 -0.04743 154 8D-2 0.00295 -0.02191 -0.02465 -0.02874 0.03056 155 8 C 1S -0.00140 0.07191 0.00089 0.00574 0.04160 156 2S 0.00073 -0.03889 -0.00155 -0.02757 -0.22359 157 3S 0.04327 -2.42593 -0.02169 -0.10366 -2.13170 158 4PX -0.19361 0.00378 0.66727 0.45932 -0.10241 159 4PY 0.03991 0.05954 -0.11250 0.29048 0.97991 160 4PZ 0.15289 -0.00263 -0.45734 0.60271 -0.39218 161 5PX -0.06030 0.37150 -1.44065 -0.93157 0.12083 162 5PY 0.02185 0.36720 0.23436 -1.16031 -0.45134 163 5PZ 0.03420 0.40267 1.00418 -1.09180 0.28566 164 9 O 1S 0.00044 -0.04324 0.00026 0.01543 -0.08846 165 2S -0.00153 0.08362 -0.00042 -0.02574 0.24742 166 3S -0.00354 0.66416 -0.00334 -0.26260 0.80849 167 4PX 0.04539 -0.04802 0.11747 0.06350 0.06359 168 4PY -0.01194 0.11733 -0.01692 0.06520 0.16594 169 4PZ -0.03230 -0.09247 -0.08234 0.07794 0.04573 170 5PX 0.03564 -0.10703 0.09134 0.08585 -0.28599 171 5PY -0.01254 0.29436 -0.01716 -0.01333 1.18446 172 5PZ -0.02517 -0.22240 -0.06359 0.12984 -0.69532 126 127 128 129 130 V V V V V EIGENVALUES -- 0.63618 0.64634 0.65634 0.67092 0.67413 1 1 Cu 1S -0.01078 0.17340 -0.07930 -0.00149 -0.06987 2 2S -0.00553 0.32833 -0.08911 -0.00434 -0.11399 3 3S 0.11623 -2.40959 1.82862 0.06974 2.07503 4 4PX -0.00064 -0.00321 0.00636 0.00057 0.00205 5 4PY 0.00398 0.00118 0.00364 0.00031 0.01023 6 4PZ -0.00181 -0.00482 0.00827 -0.00104 0.00063 7 5PX -0.00926 0.31437 -0.36432 0.26412 -0.21485 8 5PY -0.21166 0.31932 -0.29719 -0.05744 -0.44005 9 5PZ 0.03857 0.37676 -0.47647 -0.17215 -0.16165 10 6PX 0.02450 0.25848 -0.07386 -0.14103 -0.03997 11 6PY 0.44976 0.08445 0.38599 0.00044 -0.31960 12 6PZ -0.06725 0.35031 -0.17797 0.10106 -0.00541 13 7D 0 -0.09339 -0.00765 0.02028 0.05291 0.00835 14 7D+1 -0.07195 0.00026 0.18446 -0.02116 0.14467 15 7D-1 0.11624 -0.03776 0.09943 0.01565 -0.03286 16 7D+2 -0.06901 -0.02722 -0.06380 -0.03863 -0.07748 17 7D-2 0.09670 -0.01596 0.10898 -0.01183 0.01187 18 8D 0 0.11279 -0.00445 -0.02042 -0.03509 -0.01748 19 8D+1 0.10158 -0.02879 -0.23777 0.01348 -0.20069 20 8D-1 -0.15743 0.02765 -0.11516 -0.01338 0.06248 21 8D+2 0.06885 0.02449 0.09212 0.02906 0.11079 22 8D-2 -0.12275 0.00526 -0.13452 0.01496 -0.00305 23 2 Cu 1S 0.02239 -0.03672 -0.02499 0.05794 0.01549 24 2S 0.05825 -0.06856 -0.03407 0.03637 0.04094 25 3S 1.06898 0.89714 0.05623 -2.82326 -0.15698 26 4PX 0.00015 -0.00206 0.00277 -0.00986 0.00452 27 4PY 0.00384 -0.00779 0.00523 -0.00839 -0.00024 28 4PZ -0.00461 0.00453 0.00541 0.01851 -0.00019 29 5PX -0.09661 0.17809 -0.26783 0.69564 -0.11552 30 5PY -0.32281 0.15040 -0.29131 0.23358 -0.02559 31 5PZ 0.08202 0.09272 -0.36778 -0.68649 -0.04202 32 6PX -0.26045 0.47033 -0.25344 0.67953 -0.05979 33 6PY -0.40356 0.17635 -0.45695 -0.21220 0.09990 34 6PZ -0.40505 0.20231 -0.79897 -0.18548 0.20841 35 7D 0 0.03582 -0.10985 0.14566 0.05843 0.04526 36 7D+1 0.08421 -0.13622 -0.16646 0.05334 -0.11107 37 7D-1 -0.10201 -0.05135 0.05755 0.10021 0.06947 38 7D+2 0.12346 0.13792 0.04732 0.08360 -0.02197 39 7D-2 -0.12676 0.05116 0.07876 -0.09298 -0.09998 40 8D 0 -0.05215 0.16150 -0.22679 -0.08072 -0.06440 41 8D+1 -0.12450 0.18379 0.23221 -0.05104 0.14881 42 8D-1 0.13488 0.10168 -0.07950 -0.13313 -0.10919 43 8D+2 -0.17292 -0.19516 -0.04916 -0.13488 0.03917 44 8D-2 0.18604 -0.08574 -0.10953 0.11687 0.13157 45 3 Cu 1S 0.02400 -0.03580 -0.02881 -0.05289 0.02128 46 2S 0.05990 -0.06639 -0.03628 -0.02499 0.04214 47 3S 0.99760 0.91167 0.26456 2.83683 -0.55237 48 4PX -0.00328 0.00300 0.00401 -0.01920 0.00135 49 4PY 0.00396 -0.00823 0.00587 0.01298 -0.00153 50 4PZ -0.00197 0.00061 0.00371 0.00139 0.00464 51 5PX 0.02668 0.06552 -0.25745 0.82294 -0.11675 52 5PY -0.32953 0.16088 -0.31826 -0.46062 0.02933 53 5PZ -0.01178 0.18073 -0.35818 -0.35037 -0.08804 54 6PX -0.37233 0.06227 -0.70408 0.49273 0.17729 55 6PY -0.37802 0.22405 -0.36903 0.06094 0.06448 56 6PZ -0.31274 0.48572 -0.49233 -0.56236 0.07019 57 7D 0 0.16552 0.05197 -0.13448 -0.08179 -0.06599 58 7D+1 0.02625 -0.18514 -0.04146 -0.02671 -0.07440 59 7D-1 -0.11423 0.08403 0.10360 0.01335 -0.05571 60 7D+2 0.06450 -0.00519 0.16156 -0.12044 0.11512 61 7D-2 -0.07340 -0.10386 -0.05926 -0.08670 0.07685 62 8D 0 -0.23564 -0.08028 0.20680 0.11069 0.09978 63 8D+1 -0.04000 0.25374 0.03878 0.01815 0.09742 64 8D-1 0.16501 -0.12072 -0.13516 -0.00416 0.06843 65 8D+2 -0.09478 0.02701 -0.23377 0.17800 -0.15883 66 8D-2 0.09318 0.17157 0.08255 0.10138 -0.11650 67 4 Cu 1S -0.03492 0.02939 0.00955 -0.00141 -0.01073 68 2S -0.06822 0.07251 -0.00805 0.00174 0.00720 69 3S 0.01528 2.78386 1.47204 -0.19180 -2.00264 70 4PX -0.00600 0.00534 0.01885 -0.01417 0.00310 71 4PY 0.02589 -0.00920 -0.00694 0.00343 0.01565 72 4PZ -0.01455 0.00960 0.02941 0.00824 0.00034 73 5PX 0.01553 -0.01158 -0.33807 0.61281 -0.24381 74 5PY -0.55243 0.26513 -0.32902 -0.08619 -0.14287 75 5PZ 0.15701 -0.07593 -0.45771 -0.44579 -0.25216 76 6PX 0.16631 -0.16513 0.05732 -0.02808 -0.35953 77 6PY 0.56598 -0.28538 0.63387 -0.14912 -1.66747 78 6PZ 0.11921 -0.17320 -0.05891 0.01619 -0.16175 79 7D 0 -0.07839 0.06982 -0.08911 -0.17607 0.05064 80 7D+1 -0.03784 0.13075 0.04771 0.09390 0.16134 81 7D-1 0.07453 -0.01591 0.02225 0.03134 0.00063 82 7D+2 -0.08449 0.02058 -0.15579 0.07818 -0.04793 83 7D-2 0.07756 -0.00628 0.06659 -0.09667 0.04971 84 8D 0 0.11745 -0.10082 0.13993 0.26398 -0.08216 85 8D+1 0.06003 -0.20712 -0.06453 -0.14376 -0.26225 86 8D-1 -0.11035 0.04660 -0.04612 -0.04844 0.00153 87 8D+2 0.12449 -0.00896 0.23582 -0.11662 0.07436 88 8D-2 -0.11425 0.01712 -0.10892 0.15002 -0.07602 89 5 Cu 1S 0.05452 0.16037 0.04965 0.04908 -0.03757 90 2S 0.08857 0.30643 0.09279 0.05481 -0.09104 91 3S -0.77515 -2.62520 -0.99123 -0.89168 0.23645 92 4PX 0.00028 -0.00309 0.00139 -0.00614 -0.00279 93 4PY 0.00740 0.00189 0.00197 0.00671 -0.00159 94 4PZ -0.00486 0.00387 0.00090 -0.00141 0.00179 95 5PX 0.02411 0.45481 -0.01374 0.36102 0.12439 96 5PY -0.28747 -0.29244 -0.18002 -0.17901 0.06935 97 5PZ -0.00758 -0.28540 -0.26603 -0.18978 -0.00151 98 6PX 0.12890 0.26028 0.21052 -0.13336 0.01346 99 6PY -0.11858 -0.31572 -0.06413 0.02513 0.45031 100 6PZ 0.12744 -0.39171 0.30190 0.21363 -0.10806 101 7D 0 0.02110 -0.02561 -0.03969 0.00675 -0.08014 102 7D+1 -0.05002 -0.09039 0.01792 0.11462 -0.08361 103 7D-1 0.01557 0.03893 -0.16505 -0.15852 -0.02616 104 7D+2 0.08934 -0.00091 0.02797 -0.01789 0.00459 105 7D-2 0.16177 0.06196 -0.02264 0.13794 0.08630 106 8D 0 -0.00957 0.06078 0.03898 -0.01994 0.10969 107 8D+1 0.07358 0.14508 -0.00845 -0.15737 0.13606 108 8D-1 -0.03022 -0.07589 0.22778 0.22250 0.04095 109 8D+2 -0.10327 -0.01248 -0.01357 0.00673 -0.01992 110 8D-2 -0.21665 -0.05369 0.03233 -0.17530 -0.12659 111 6 Cu 1S 0.05186 -0.05668 -0.01152 0.00082 0.02124 112 2S 0.06323 -0.06079 -0.08261 0.00434 0.04556 113 3S -0.82145 3.12462 -1.54873 0.09341 0.12576 114 4PX 0.00560 -0.00830 0.00981 -0.01024 -0.00650 115 4PY 0.00181 0.00515 0.00170 0.00178 0.00705 116 4PZ 0.00764 -0.01282 0.01394 0.00542 -0.01232 117 5PX -0.18073 0.34323 -0.34676 0.54006 0.02511 118 5PY -0.25452 -0.09559 -0.26108 -0.09009 -0.21329 119 5PZ -0.19697 0.50667 -0.47306 -0.34054 0.15092 120 6PX -0.02541 0.06816 -0.07240 0.53735 0.01269 121 6PY -0.50264 -0.01831 -0.76027 -0.05520 0.22284 122 6PZ 0.07928 0.10688 0.01950 -0.36810 0.02688 123 7D 0 -0.11365 0.03705 -0.00500 0.14476 0.03018 124 7D+1 0.00363 0.23985 -0.06612 -0.05344 0.06982 125 7D-1 -0.13505 0.05189 0.02359 -0.00400 -0.14622 126 7D+2 -0.22943 -0.07777 0.03039 -0.08262 -0.02904 127 7D-2 -0.02534 0.09040 0.00028 0.02428 -0.09852 128 8D 0 0.16210 -0.04868 0.00288 -0.22019 -0.03169 129 8D+1 -0.01042 -0.34710 0.07706 0.08125 -0.09690 130 8D-1 0.17538 -0.06151 -0.04751 -0.00499 0.19581 131 8D+2 0.32525 0.12577 -0.04188 0.13102 0.05059 132 8D-2 0.02354 -0.12464 -0.01200 -0.02521 0.12658 133 7 Cu 1S 0.05528 0.16153 0.04567 -0.05145 -0.03339 134 2S 0.08979 0.30770 0.08788 -0.06393 -0.08579 135 3S -0.76898 -2.65317 -0.92040 0.89165 0.19794 136 4PX -0.00322 0.00516 0.00068 -0.00166 0.00180 137 4PY 0.00813 0.00058 0.00187 -0.00549 -0.00187 138 4PZ -0.00267 -0.00174 0.00187 0.00684 -0.00256 139 5PX -0.07390 -0.47376 -0.25413 0.32319 -0.04487 140 5PY -0.27082 -0.15523 -0.13714 0.07314 0.09527 141 5PZ 0.06309 0.36444 -0.09777 -0.26232 0.13958 142 6PX 0.05496 -0.50175 0.17388 -0.26662 0.01756 143 6PY -0.09958 -0.20796 -0.04890 0.10282 0.45183 144 6PZ 0.17755 0.15026 0.31528 0.03073 -0.09456 145 7D 0 -0.00699 -0.05797 0.05954 -0.03695 -0.03775 146 7D+1 -0.01198 -0.06851 -0.01968 -0.14619 -0.07022 147 7D-1 0.17771 0.07893 -0.07059 -0.03380 0.07120 148 7D+2 0.03312 0.00095 -0.05797 0.11725 -0.07688 149 7D-2 -0.07038 0.00276 -0.12331 0.14330 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0.16633 16 7D+2 -0.00998 0.04100 -0.08277 0.12800 0.11707 17 7D-2 -0.14196 0.02037 -0.03053 0.11184 0.07778 18 8D 0 0.06866 0.05591 0.16456 0.23778 -0.01939 19 8D+1 -0.05007 0.17748 0.25573 -0.07478 0.07236 20 8D-1 -0.13802 -0.13344 0.11757 0.17381 -0.25043 21 8D+2 0.02613 -0.06922 0.13213 -0.20022 -0.16142 22 8D-2 0.22225 -0.04048 0.07043 -0.18598 -0.11890 23 2 Cu 1S -0.00853 0.01925 0.13875 0.21132 0.01752 24 2S -0.01725 0.06119 0.20281 0.32112 0.02184 25 3S 0.75569 0.86461 -4.17419 -5.94582 -0.84492 26 4PX -0.00463 -0.00525 -0.00767 -0.01123 0.00095 27 4PY 0.00822 0.01124 -0.00978 -0.01341 0.01065 28 4PZ -0.00821 -0.00271 0.00821 0.00870 0.01498 29 5PX 0.15182 0.19610 0.49423 0.77980 0.14394 30 5PY -0.22009 -0.18858 0.61089 0.71730 0.05611 31 5PZ 0.15239 0.11840 -0.47219 -0.70724 -0.11925 32 6PX 0.04288 0.17030 0.23527 0.44377 0.19464 33 6PY -0.28255 0.03434 0.43102 0.69419 0.24185 34 6PZ -0.07346 0.15783 -0.38682 -0.53276 0.13000 35 7D 0 0.05648 0.01306 -0.00648 -0.07226 0.12056 36 7D+1 0.01525 0.01280 0.12544 -0.08728 0.05896 37 7D-1 -0.13969 -0.10659 0.03016 -0.02235 -0.03220 38 7D+2 0.00767 0.10449 -0.03432 0.03609 0.03509 39 7D-2 -0.14527 0.15664 0.07216 -0.05655 0.04732 40 8D 0 -0.06894 -0.01534 -0.00871 0.11307 -0.16784 41 8D+1 -0.03515 -0.01687 -0.19323 0.18087 -0.09494 42 8D-1 0.19615 0.16281 -0.05799 0.00396 0.04489 43 8D+2 -0.03400 -0.16523 0.05436 -0.03832 -0.05950 44 8D-2 0.20221 -0.24077 -0.16411 0.06499 -0.08991 45 3 Cu 1S 0.00575 0.02630 0.13707 -0.20996 0.01859 46 2S 0.00935 0.07023 0.19992 -0.31783 0.02341 47 3S -0.78176 0.57398 -4.12996 5.97741 -0.88578 48 4PX 0.00443 0.00267 0.00824 -0.00904 0.01570 49 4PY -0.00932 0.00897 -0.01206 0.01679 0.00822 50 4PZ 0.00827 -0.00708 -0.00275 0.00495 0.00476 51 5PX -0.04213 -0.04023 -0.46650 0.75913 -0.14793 52 5PY 0.22568 -0.10930 0.75173 -0.95078 0.10866 53 5PZ -0.22580 0.25875 0.20760 -0.36607 0.08212 54 6PX 0.12673 0.08876 -0.33631 0.49448 0.08682 55 6PY 0.25962 0.09308 0.51769 -0.83323 0.24448 56 6PZ -0.05292 0.22005 0.02242 -0.11947 0.20484 57 7D 0 -0.03727 0.05344 0.02939 -0.01648 0.01356 58 7D+1 -0.01940 0.02934 0.11390 0.12891 0.11546 59 7D-1 0.17741 0.13981 0.05423 0.03520 0.03129 60 7D+2 -0.04223 -0.01556 -0.06459 0.00269 0.06671 61 7D-2 0.09908 -0.15163 0.04659 0.00997 -0.06078 62 8D 0 0.07955 -0.08245 -0.02634 -0.01945 -0.02787 63 8D+1 0.02621 -0.03788 -0.19766 -0.22611 -0.17290 64 8D-1 -0.23852 -0.21672 -0.13233 -0.02604 -0.06766 65 8D+2 0.05912 0.02407 0.09709 0.00281 -0.08824 66 8D-2 -0.13985 0.23449 -0.06373 0.00019 0.09091 67 4 Cu 1S 0.00110 -0.04016 -0.03107 -0.00184 0.05554 68 2S -0.00019 -0.04791 -0.03591 -0.00150 0.10653 69 3S 0.09543 0.73837 1.33201 0.11172 -0.68256 70 4PX -0.01397 0.00060 0.00735 0.00708 -0.01183 71 4PY 0.00192 -0.01479 0.01078 -0.00144 -0.00472 72 4PZ 0.00998 0.00497 0.00796 -0.00473 -0.01559 73 5PX 0.27488 -0.10285 -0.13860 0.11619 0.34996 74 5PY -0.04212 0.22489 0.17969 -0.00231 0.45648 75 5PZ -0.17035 -0.18455 -0.24244 -0.09801 0.39356 76 6PX 0.34619 0.07604 -0.25225 -0.07266 -0.10100 77 6PY 0.03704 -1.08702 0.07820 0.01283 -0.34548 78 6PZ -0.25433 0.36709 -0.38657 0.05247 -0.10665 79 7D 0 -0.04484 -0.00636 0.05587 0.05182 -0.02243 80 7D+1 -0.00404 0.02998 0.19966 -0.00410 -0.01356 81 7D-1 -0.12169 -0.10430 0.12619 0.12639 -0.04248 82 7D+2 0.08384 -0.06386 -0.00246 -0.08289 -0.04138 83 7D-2 0.16458 -0.03801 0.11176 -0.16533 -0.01527 84 8D 0 0.08597 -0.00740 -0.10139 -0.06967 0.04879 85 8D+1 0.00039 -0.06894 -0.34887 -0.00361 0.02211 86 8D-1 0.18952 0.16278 -0.22739 -0.23168 0.07469 87 8D+2 -0.13815 0.08389 -0.00398 0.13788 0.08907 88 8D-2 -0.25256 0.06192 -0.19778 0.30820 0.02152 89 5 Cu 1S 0.04917 0.11618 0.02317 -0.10882 -0.01019 90 2S 0.05692 0.20936 0.05044 -0.19465 -0.04719 91 3S -1.49041 -2.12728 -1.11858 2.82917 -0.20721 92 4PX -0.00153 0.00010 0.00127 0.00127 -0.00321 93 4PY 0.00173 0.00321 0.00259 0.00148 -0.00730 94 4PZ 0.00898 0.00071 0.00070 -0.00322 0.00888 95 5PX 0.13004 0.28943 0.37705 -0.21800 0.12086 96 5PY 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-0.00102 -0.00470 116 4PZ 0.00108 -0.00350 -0.01873 -0.00501 -0.00788 117 5PX 0.09987 0.23058 0.75284 -0.02677 0.34241 118 5PY -0.00590 -0.01408 0.54944 -0.00074 0.04236 119 5PZ -0.07483 0.34680 0.95094 0.01399 0.47957 120 6PX 0.24426 0.16029 0.57148 0.04754 0.20745 121 6PY -0.03526 -0.18524 0.22026 -0.01286 0.34211 122 6PZ -0.17738 0.25995 0.77727 -0.03616 0.23332 123 7D 0 0.11348 -0.01166 0.07843 0.01418 -0.02783 124 7D+1 -0.03430 0.03430 0.04280 0.01289 -0.10076 125 7D-1 0.09595 0.09867 -0.09614 0.11993 -0.06161 126 7D+2 -0.09824 -0.01223 0.07319 -0.05863 0.00124 127 7D-2 -0.09707 0.07475 -0.08735 -0.16066 -0.05787 128 8D 0 -0.15540 0.01457 -0.11313 -0.01924 0.05281 129 8D+1 0.04848 -0.06935 -0.07342 -0.02574 0.15640 130 8D-1 -0.12153 -0.12797 0.19300 -0.21105 0.09696 131 8D+2 0.12963 0.02990 -0.08137 0.10018 0.01334 132 8D-2 0.12029 -0.10597 0.15603 0.28438 0.08542 133 7 Cu 1S -0.05039 0.11185 0.02426 0.11322 -0.01020 134 2S -0.05654 0.20204 0.05246 0.20212 -0.04763 135 3S 1.53232 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0.05066 155 8 C 1S 0.00272 -0.04812 0.01478 -0.00033 -0.00718 156 2S 0.01698 0.05953 0.05851 0.00645 -0.20742 157 3S -0.00535 -0.24197 0.05215 -0.00787 0.10656 158 4PX -0.01730 0.03321 0.02248 0.06452 0.02458 159 4PY 0.02077 -0.19776 0.02604 -0.01017 0.14284 160 4PZ 0.00297 0.09901 0.02445 -0.04307 0.00124 161 5PX 0.12522 -0.00959 0.01887 -0.12625 -0.47300 162 5PY -0.06099 0.48050 -0.00256 0.02208 -0.54868 163 5PZ -0.07055 -0.15641 0.03699 0.08189 -0.55017 164 9 O 1S 0.00080 -0.00379 -0.00062 -0.00009 0.00013 165 2S 0.00155 -0.04396 0.04010 0.00083 -0.04974 166 3S -0.01755 0.23625 -0.08148 0.00093 0.04133 167 4PX 0.26143 0.28457 -0.00693 0.04267 -0.33591 168 4PY -0.01052 -0.35265 0.16476 -0.00710 -0.33627 169 4PZ -0.21297 0.45370 -0.04073 -0.02649 -0.40883 170 5PX -0.39582 -0.41118 0.00041 -0.05741 0.59380 171 5PY 0.02303 0.40076 -0.28193 0.00886 0.76724 172 5PZ 0.31869 -0.62404 0.05442 0.03580 0.67881 136 137 138 139 140 V V V V V EIGENVALUES -- 0.77152 0.78569 0.81850 0.82689 0.84398 1 1 Cu 1S 0.00010 0.00080 0.02658 -0.00119 -0.10687 2 2S -0.00015 0.00174 0.03813 -0.00153 -0.22754 3 3S -0.02650 -0.00594 -1.04854 0.05758 1.44927 4 4PX -0.00162 0.00450 -0.01033 -0.00357 -0.00293 5 4PY -0.00005 -0.00063 -0.00443 0.00093 0.00759 6 4PZ 0.00112 -0.00312 -0.01349 0.00377 -0.00546 7 5PX -0.04778 0.04227 0.13836 0.15844 -0.02343 8 5PY 0.01159 -0.00627 0.26156 -0.03809 -0.20055 9 5PZ 0.03945 -0.02998 0.12460 -0.12675 -0.00322 10 6PX -0.12395 0.03400 0.20265 -0.03075 -0.37613 11 6PY 0.03440 -0.00701 0.36008 -0.02433 -0.03814 12 6PZ 0.09016 -0.01893 0.20395 0.00141 -0.51102 13 7D 0 -0.08797 0.07523 0.11947 -0.00516 0.07482 14 7D+1 0.03907 -0.01018 0.05487 -0.01356 0.11042 15 7D-1 0.00569 0.15325 0.08072 -0.06133 -0.19038 16 7D+2 0.04790 -0.10594 0.18029 0.01024 0.00402 17 7D-2 -0.02974 -0.19199 0.01371 0.07829 -0.13404 18 8D 0 0.12700 -0.10142 -0.18172 0.02016 -0.12332 19 8D+1 -0.05819 0.00713 -0.08187 0.01891 -0.18935 20 8D-1 -0.02027 -0.25082 -0.13659 0.11610 0.34802 21 8D+2 -0.06492 0.16199 -0.28142 -0.03010 0.00724 22 8D-2 0.05916 0.31983 -0.03099 -0.14599 0.24195 23 2 Cu 1S 0.00427 0.02686 0.01409 0.05173 0.08846 24 2S -0.00640 0.04496 0.00510 0.09107 0.14968 25 3S -0.55754 -0.58025 0.06103 -1.45392 -2.34806 26 4PX -0.00229 -0.00088 -0.00106 -0.00539 -0.00438 27 4PY -0.00970 0.00868 -0.00665 -0.00070 -0.00194 28 4PZ -0.00376 0.00831 0.00142 -0.00150 0.00195 29 5PX 0.11776 0.07149 0.11900 0.22196 0.19394 30 5PY 0.10910 0.11382 0.24639 0.05204 0.57932 31 5PZ -0.12811 0.01146 -0.04800 -0.06771 0.07062 32 6PX 0.04979 0.04690 0.00932 -0.01935 0.22989 33 6PY 0.18134 -0.20703 -0.01517 0.51259 -0.04246 34 6PZ 0.04218 -0.36299 -0.34052 -0.13836 -0.41490 35 7D 0 -0.04652 0.12257 0.14197 -0.06677 0.07503 36 7D+1 -0.06393 0.03829 0.00007 -0.06036 -0.06749 37 7D-1 -0.07099 0.01623 0.01432 0.15761 0.03584 38 7D+2 -0.05727 0.07764 -0.08300 -0.06598 0.09469 39 7D-2 0.00899 0.07146 0.00353 0.03935 0.07265 40 8D 0 0.06879 -0.16324 -0.22213 0.10788 -0.10422 41 8D+1 0.10481 -0.05865 0.01401 0.11777 0.10464 42 8D-1 0.11321 -0.02779 0.00804 -0.28228 -0.08307 43 8D+2 0.08019 -0.10283 0.13736 0.10534 -0.12456 44 8D-2 -0.01724 -0.11697 -0.02181 -0.07469 -0.14746 45 3 Cu 1S -0.00739 -0.02786 0.01240 -0.05173 0.08421 46 2S 0.00145 -0.04667 0.00049 -0.08900 0.14385 47 3S 0.64769 0.60109 0.10646 1.41172 -2.22743 48 4PX 0.00411 -0.00956 0.00034 0.00001 0.00222 49 4PY 0.00915 -0.00693 -0.00755 0.00258 -0.00279 50 4PZ 0.00214 -0.00085 0.00121 0.00510 -0.00320 51 5PX 0.14397 -0.01325 -0.03743 0.12008 0.15609 52 5PY -0.16506 -0.12884 0.28116 -0.13265 0.58252 53 5PZ -0.04508 -0.05706 0.04260 -0.18292 0.12037 54 6PX -0.07535 0.40188 -0.32434 0.06622 -0.45436 55 6PY -0.20155 0.14113 -0.00934 -0.50445 0.04466 56 6PZ -0.05488 0.05646 -0.07614 0.15594 0.05473 57 7D 0 0.05773 -0.02109 -0.09644 0.09558 -0.01109 58 7D+1 0.05643 -0.09218 0.10713 0.05207 -0.01400 59 7D-1 0.02527 -0.08141 -0.04037 -0.07501 0.10474 60 7D+2 0.06773 -0.10377 0.06767 0.01451 0.11479 61 7D-2 0.05546 0.04390 -0.02140 -0.14472 -0.04322 62 8D 0 -0.08904 0.02653 0.16364 -0.17016 0.03850 63 8D+1 -0.09027 0.13352 -0.16644 -0.09978 0.01553 64 8D-1 -0.03426 0.12970 0.06379 0.14300 -0.19653 65 8D+2 -0.09973 0.13216 -0.09089 -0.01312 -0.15662 66 8D-2 -0.09378 -0.05688 0.06776 0.24630 0.04377 67 4 Cu 1S 0.00070 0.00009 -0.06175 0.00286 0.01229 68 2S 0.00095 0.00026 -0.04174 0.00179 0.02980 69 3S 0.03350 -0.00289 5.42525 -0.30791 -2.15326 70 4PX -0.01706 0.00100 0.02753 0.01096 -0.01287 71 4PY 0.00242 -0.00016 -0.03572 0.00013 0.02214 72 4PZ 0.01239 -0.00078 0.04481 -0.01181 -0.02244 73 5PX 0.56822 -0.03250 -0.55852 -0.65321 -0.01170 74 5PY -0.10388 0.00782 -0.00820 0.11664 0.30813 75 5PZ -0.39645 0.02289 -0.66210 0.51985 -0.12082 76 6PX 0.66384 0.06394 -0.22777 0.36599 0.50764 77 6PY -0.08545 -0.01656 0.17092 -0.05915 0.83232 78 6PZ -0.45542 -0.05036 -0.36705 -0.23011 0.49730 79 7D 0 -0.02751 -0.01757 0.06222 -0.21258 0.05712 80 7D+1 -0.00196 0.00837 -0.01759 0.08932 -0.04521 81 7D-1 -0.08459 0.00585 -0.03499 -0.01628 -0.00954 82 7D+2 0.05074 0.00561 0.13880 0.10846 0.12451 83 7D-2 0.10697 -0.01261 -0.07168 -0.02374 -0.04850 84 8D 0 0.02065 0.03026 -0.10083 0.33325 -0.10822 85 8D+1 0.01700 -0.01496 0.05381 -0.14483 0.03621 86 8D-1 0.15180 -0.01343 -0.02173 0.01055 0.06394 87 8D+2 -0.07726 -0.00808 -0.26383 -0.15761 -0.18732 88 8D-2 -0.20227 0.02672 0.07887 0.06691 0.10430 89 5 Cu 1S 0.03336 -0.02183 0.11260 -0.08906 -0.04492 90 2S 0.09148 -0.04835 0.23236 -0.17454 -0.08193 91 3S -0.47220 0.25454 -1.94438 1.60650 1.09579 92 4PX -0.00855 -0.00713 -0.00581 0.00000 0.00205 93 4PY 0.01162 -0.00365 0.00922 -0.00077 -0.01456 94 4PZ -0.01141 0.00006 0.00250 -0.00723 -0.00133 95 5PX 0.02579 0.01458 0.14854 -0.06555 0.09872 96 5PY -0.07688 0.03331 -0.06196 0.25265 0.32025 97 5PZ -0.10669 0.01550 -0.44393 0.31695 0.22894 98 6PX -0.06798 -0.06879 0.27110 -0.21412 -0.22116 99 6PY 0.08844 0.04985 -0.20470 0.23370 -0.16579 100 6PZ -0.21436 0.00291 -0.20395 -0.07956 0.24216 101 7D 0 -0.15442 -0.04401 -0.00856 -0.18241 0.13832 102 7D+1 0.00771 -0.15139 -0.08175 0.13360 0.06502 103 7D-1 0.09080 -0.16240 0.13182 -0.05714 0.03725 104 7D+2 0.06473 0.19125 0.02588 -0.00141 0.16912 105 7D-2 -0.04468 -0.04777 -0.00203 -0.04696 -0.00653 106 8D 0 0.21724 0.07059 -0.00620 0.29075 -0.22346 107 8D+1 -0.01074 0.25439 0.15144 -0.23018 -0.11797 108 8D-1 -0.15608 0.26989 -0.22651 0.10720 -0.06945 109 8D+2 -0.09759 -0.29265 -0.05096 -0.01367 -0.30831 110 8D-2 0.05634 0.06788 0.00257 0.06273 0.01961 111 6 Cu 1S 0.00090 0.00111 0.01142 0.00032 -0.11416 112 2S 0.00086 0.00198 -0.02811 0.00382 -0.17126 113 3S -0.03785 -0.02283 -0.05466 -0.00385 2.65739 114 4PX 0.01399 0.00866 0.00623 -0.00442 -0.00705 115 4PY -0.00231 -0.00131 -0.00575 0.00107 0.00621 116 4PZ -0.00953 -0.00610 0.01076 0.00214 -0.01185 117 5PX 0.05819 0.14941 -0.22170 0.20088 0.37850 118 5PY -0.01261 -0.02532 0.06630 -0.03321 0.29413 119 5PZ -0.05222 -0.10934 -0.33946 -0.11253 0.46891 120 6PX -0.15099 -0.40239 -0.07023 -0.49796 0.40360 121 6PY 0.00551 0.06180 -0.27753 0.09937 0.40155 122 6PZ 0.10071 0.27661 0.02612 0.34959 0.48320 123 7D 0 -0.11294 -0.12106 0.02686 -0.12441 -0.02366 124 7D+1 0.05967 0.06199 0.09037 0.05398 0.01988 125 7D-1 0.07355 0.06293 -0.13080 0.04556 -0.09493 126 7D+2 0.02666 0.03712 -0.04155 0.05220 -0.07964 127 7D-2 -0.13126 -0.11730 -0.07433 -0.08009 -0.04130 128 8D 0 0.15823 0.15330 -0.05650 0.18317 0.03882 129 8D+1 -0.08551 -0.08179 -0.18440 -0.07872 -0.03493 130 8D-1 -0.11555 -0.10202 0.21878 -0.08660 0.19267 131 8D+2 -0.03195 -0.03784 0.07568 -0.07016 0.14421 132 8D-2 0.20016 0.17862 0.11932 0.14195 0.08949 133 7 Cu 1S -0.03109 0.02094 0.12404 0.07222 -0.04672 134 2S -0.08759 0.04631 0.25639 0.13985 -0.08552 135 3S 0.42410 -0.24489 -2.13237 -1.33875 1.12497 136 4PX 0.00584 -0.00152 0.00644 0.00623 -0.00457 137 4PY -0.01056 0.00501 0.00781 -0.00126 -0.01389 138 4PZ 0.01366 0.00607 -0.00610 0.00296 0.00416 139 5PX 0.11083 -0.01589 -0.51522 -0.30421 0.25374 140 5PY 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-0.00365 -0.00039 160 4PZ -0.07656 -0.00026 -0.00103 -0.01185 0.03082 161 5PX -0.84371 0.05691 0.25960 0.41625 -0.04914 162 5PY 0.13502 -0.01014 0.11279 -0.07902 0.17632 163 5PZ 0.59854 -0.04239 0.25849 -0.32439 -0.09158 164 9 O 1S 0.00044 -0.00004 0.00162 -0.00029 -0.00544 165 2S -0.00342 0.00015 0.02948 0.00057 0.04501 166 3S 0.00301 -0.00004 0.14876 -0.01189 -0.17135 167 4PX -0.48223 0.04365 0.08506 0.24184 0.01470 168 4PY 0.07875 -0.00814 -0.05207 -0.03554 0.20026 169 4PZ 0.34133 -0.03245 0.08945 -0.18058 -0.01990 170 5PX 0.92775 -0.08413 -0.17783 -0.50598 -0.03720 171 5PY -0.15311 0.01628 -0.09875 0.08763 -0.30960 172 5PZ -0.65506 0.06211 -0.13624 0.37502 0.00418 141 142 143 144 145 V V V V V EIGENVALUES -- 0.86006 0.86883 0.86931 0.89685 0.90171 1 1 Cu 1S 0.00409 0.11522 0.02684 0.03220 0.00041 2 2S 0.00721 0.16062 0.03878 0.05713 0.00052 3 3S -0.06726 -3.08922 -0.68561 0.58456 -0.02397 4 4PX -0.00602 -0.00863 -0.00772 -0.00115 -0.01082 5 4PY 0.00067 -0.01854 -0.00318 0.01424 0.00164 6 4PZ 0.00377 -0.01123 0.00201 -0.00452 0.00764 7 5PX 0.19623 0.37401 0.29733 -0.01672 -0.03909 8 5PY -0.01138 0.81255 0.14601 0.07934 -0.00080 9 5PZ -0.12548 0.46780 -0.05353 -0.03310 0.03977 10 6PX -0.22808 0.21064 -0.12804 -0.14466 -0.22581 11 6PY 0.04106 0.06686 0.03956 -0.17545 0.04401 12 6PZ 0.18070 0.19553 0.17629 -0.15788 0.15687 13 7D 0 -0.18622 -0.01539 -0.24185 -0.03519 -0.08912 14 7D+1 0.09082 0.06416 0.13099 -0.10950 0.03723 15 7D-1 0.06750 -0.09128 0.09062 0.05173 0.00451 16 7D+2 0.06799 -0.21156 0.02972 0.02952 0.04974 17 7D-2 -0.13525 0.06423 -0.19594 0.01717 -0.02708 18 8D 0 0.34053 0.01899 0.43301 0.08226 0.14516 19 8D+1 -0.16656 -0.14730 -0.24442 0.20098 -0.06256 20 8D-1 -0.12486 0.15050 -0.17795 -0.11815 -0.01914 21 8D+2 -0.12341 0.38309 -0.04816 -0.03082 -0.07857 22 8D-2 0.24797 -0.13475 0.36426 -0.05500 0.05997 23 2 Cu 1S 0.08297 0.03753 0.03751 0.06832 -0.05785 24 2S 0.11071 0.03710 0.05279 0.09205 -0.08916 25 3S -1.99296 -0.48116 -0.70168 -1.89866 2.12184 26 4PX -0.00022 -0.00039 -0.00067 -0.01773 -0.00658 27 4PY -0.00816 -0.00699 0.00716 -0.00367 0.00842 28 4PZ 0.00561 0.00413 0.01134 0.00797 -0.01877 29 5PX 0.29105 0.08465 0.09814 0.08642 -0.22002 30 5PY 0.12267 0.68216 -0.26101 0.69469 -0.41016 31 5PZ -0.49414 0.06360 -0.51004 -0.72340 0.25122 32 6PX 0.66446 0.39186 0.21306 0.09178 0.03185 33 6PY -0.04956 0.26981 0.46470 0.22648 -0.23026 34 6PZ -0.15451 0.33845 0.35508 -0.16118 0.34644 35 7D 0 -0.03294 -0.02590 -0.14737 0.06528 -0.12540 36 7D+1 -0.00420 -0.05099 -0.07973 -0.04323 0.13832 37 7D-1 -0.07151 -0.12377 -0.02829 -0.14744 0.00223 38 7D+2 0.06967 -0.00411 -0.07040 -0.14972 0.17576 39 7D-2 0.06843 -0.04138 -0.03922 0.02296 0.04375 40 8D 0 0.03059 0.07089 0.22207 -0.13905 0.20109 41 8D+1 0.01271 0.08973 0.16080 0.10128 -0.26977 42 8D-1 0.11739 0.24970 0.04914 0.31233 0.00669 43 8D+2 -0.11962 0.03750 0.10971 0.30576 -0.32023 44 8D-2 -0.12086 0.06115 0.07976 -0.05725 -0.05328 45 3 Cu 1S -0.08303 0.05492 -0.02045 0.07167 0.05390 46 2S -0.11225 0.06265 -0.03594 0.09552 0.08488 47 3S 2.01821 -0.86794 0.48124 -1.98493 -1.99766 48 4PX -0.00349 0.00765 -0.01014 0.01282 0.01315 49 4PY 0.00844 -0.00528 -0.00787 -0.00834 -0.00820 50 4PZ -0.00309 0.00299 -0.00126 -0.01273 0.01429 51 5PX 0.50681 -0.09958 0.56087 -0.56897 -0.17907 52 5PY -0.22866 0.56360 0.40608 0.80521 0.43691 53 5PZ -0.09106 -0.00941 0.04239 -0.26671 0.07307 54 6PX 0.37510 0.34861 -0.20755 -0.13329 -0.26256 55 6PY -0.09385 0.46318 -0.27985 0.28173 0.23744 56 6PZ -0.56157 0.52666 -0.04887 -0.01628 -0.18127 57 7D 0 -0.05406 -0.01732 0.03439 -0.14887 -0.22482 58 7D+1 0.02240 -0.10457 0.09599 0.05761 -0.00566 59 7D-1 -0.06696 -0.08728 0.01011 -0.08616 -0.10142 60 7D+2 0.02622 -0.08101 0.08787 -0.06549 0.06309 61 7D-2 0.08734 -0.08678 -0.05837 -0.11906 -0.00010 62 8D 0 0.08153 0.04808 -0.06484 0.31457 0.41497 63 8D+1 -0.02740 0.18588 -0.16904 -0.11390 0.03405 64 8D-1 0.11968 0.16350 -0.01926 0.16951 0.15372 65 8D+2 -0.02348 0.16632 -0.09886 0.13272 -0.09511 66 8D-2 -0.14971 0.17351 0.09874 0.25993 -0.00697 67 4 Cu 1S -0.00154 -0.04652 -0.01016 0.04499 0.00085 68 2S 0.00155 0.00949 0.00207 0.23037 -0.00366 69 3S 0.16858 3.78038 0.83924 0.45438 -0.12084 70 4PX -0.01817 0.00123 -0.00040 0.01616 0.00256 71 4PY 0.00138 -0.04553 -0.01006 -0.02115 0.00042 72 4PZ 0.01448 0.01092 0.00304 0.02691 -0.00291 73 5PX 0.64724 0.10930 0.03898 -1.13734 -0.11702 74 5PY -0.05732 1.38300 0.29898 2.57079 -0.03627 75 5PZ -0.50608 -0.11789 -0.03644 -2.19784 0.14774 76 6PX 0.32654 -0.07677 0.11248 0.14593 0.30130 77 6PY -0.05929 0.22283 0.01262 0.42596 -0.03630 78 6PZ -0.25440 -0.06140 -0.11891 0.11047 -0.19067 79 7D 0 0.00574 -0.04990 -0.04793 0.01258 -0.10487 80 7D+1 -0.00113 0.00987 0.01771 0.05240 0.05347 81 7D-1 0.00265 0.00425 -0.00565 -0.16567 0.04088 82 7D+2 -0.00666 -0.10640 -0.00414 -0.06360 0.04236 83 7D-2 -0.00419 0.03511 0.00889 -0.09130 -0.08137 84 8D 0 0.02212 0.06973 0.08268 -0.03374 0.20150 85 8D+1 -0.01261 -0.00413 -0.02939 -0.13344 -0.09902 86 8D-1 -0.01395 -0.04506 -0.00289 0.40416 -0.05759 87 8D+2 -0.00243 0.13688 -0.00287 0.15502 -0.09024 88 8D-2 0.02722 -0.07397 -0.01158 0.22156 0.12774 89 5 Cu 1S 0.03109 0.01038 -0.00941 -0.03798 0.05207 90 2S 0.02111 0.03530 -0.02315 -0.06750 0.06899 91 3S -1.15681 0.06758 0.00560 2.11053 -1.41026 92 4PX -0.00931 -0.00412 -0.00070 0.00281 -0.00946 93 4PY 0.00784 -0.00094 0.00490 0.00064 -0.00063 94 4PZ 0.00312 -0.00162 -0.00062 -0.01868 0.00077 95 5PX 0.34506 -0.00581 -0.05895 -0.24284 0.21348 96 5PY -0.23211 0.18700 -0.08006 0.17205 -0.34707 97 5PZ -0.24147 -0.06104 -0.03221 0.19224 -0.08320 98 6PX -0.16237 -0.14294 0.02217 -0.30639 -0.00816 99 6PY -0.07797 -0.21581 0.07012 0.09600 -0.16411 100 6PZ 0.00050 -0.28826 -0.07109 0.26526 -0.28540 101 7D 0 0.13901 -0.03596 -0.06562 -0.03064 -0.07183 102 7D+1 0.22718 0.13839 -0.11736 0.01139 -0.02773 103 7D-1 -0.05372 0.19368 -0.10099 -0.00091 0.12311 104 7D+2 0.04342 0.17019 -0.12187 0.00651 0.10359 105 7D-2 -0.17667 -0.05278 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7D-1 0.12750 0.15643 0.09414 -0.18468 -0.02108 16 7D+2 -0.05203 0.00286 -0.02489 0.00122 0.05045 17 7D-2 -0.17443 0.10399 0.06712 -0.14656 0.02717 18 8D 0 0.04203 0.17482 0.12535 0.11139 0.22876 19 8D+1 -0.05471 0.28084 0.12767 0.40971 -0.10584 20 8D-1 -0.25551 -0.32786 -0.21105 0.46387 0.05869 21 8D+2 0.08497 -0.00698 0.05839 0.02016 -0.15265 22 8D-2 0.35870 -0.21536 -0.15129 0.36235 -0.06491 23 2 Cu 1S 0.07686 0.02307 0.02690 0.00189 0.00269 24 2S 0.13211 0.04697 0.04561 0.06232 -0.13312 25 3S -1.68446 -0.46672 -0.39227 0.70924 -1.75928 26 4PX -0.00743 -0.00568 -0.02010 0.00039 -0.00163 27 4PY -0.00315 0.00136 0.01143 -0.00194 -0.01789 28 4PZ 0.00700 -0.01195 -0.00513 -0.01343 0.01453 29 5PX 0.30510 0.13957 0.09163 -0.49528 1.01500 30 5PY 0.19568 0.00556 0.10472 -1.14640 -0.27222 31 5PZ -0.18923 -0.07836 -0.07826 -0.92389 -0.95509 32 6PX 0.18594 0.06670 0.04750 -0.38974 0.86356 33 6PY 0.14725 0.06375 0.10012 -0.43527 -0.32218 34 6PZ -0.18363 -0.08233 -0.06491 -0.62663 -0.06166 35 7D 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6PY -0.20801 0.08712 0.11068 -0.39963 0.16005 56 6PZ -0.08425 0.01941 0.01090 -0.58843 -0.77938 57 7D 0 0.21449 -0.13707 -0.05996 -0.00712 0.02284 58 7D+1 -0.00276 -0.04943 -0.06137 0.04811 0.04299 59 7D-1 -0.17133 0.09719 0.09362 -0.09053 -0.06670 60 7D+2 -0.04538 0.00389 0.03587 0.19953 -0.16784 61 7D-2 -0.04708 0.10739 0.00953 -0.06181 0.04405 62 8D 0 -0.46360 0.29608 0.15822 0.02565 -0.03015 63 8D+1 -0.01661 0.08697 0.11948 -0.18160 -0.11784 64 8D-1 0.35901 -0.22034 -0.18367 0.23042 0.21716 65 8D+2 0.09166 -0.01621 -0.06462 -0.57159 0.46942 66 8D-2 0.10175 -0.20142 -0.01315 0.15909 -0.16019 67 4 Cu 1S 0.00085 0.02458 0.01138 0.03484 -0.00140 68 2S 0.00044 0.10702 0.15649 0.08199 -0.00238 69 3S -0.04015 -0.19598 0.85685 -0.25374 0.02686 70 4PX -0.00615 -0.00230 0.00915 -0.01393 0.02515 71 4PY 0.00093 -0.01543 0.00054 -0.02801 -0.00281 72 4PZ 0.00399 -0.00049 0.01298 -0.01640 -0.01671 73 5PX 0.26666 -0.12383 -0.39958 -0.45214 0.86826 74 5PY -0.03381 0.70321 0.51396 -0.34353 -0.11274 75 5PZ -0.18693 -0.32348 -0.67888 -0.62847 -0.55608 76 6PX 0.15541 0.13516 -0.04151 -0.11631 0.25381 77 6PY -0.02053 0.14822 0.08390 -0.34799 -0.02386 78 6PZ -0.09526 0.16034 -0.08657 -0.10796 -0.17490 79 7D 0 0.06732 -0.04376 -0.04321 -0.07706 -0.13702 80 7D+1 -0.02249 0.05486 -0.19037 0.00360 0.06069 81 7D-1 0.03383 0.09570 0.10285 -0.02366 0.01147 82 7D+2 -0.05114 -0.07433 0.08598 -0.12565 0.07614 83 7D-2 -0.02893 0.10201 0.02772 0.02112 -0.05144 84 8D 0 -0.13906 0.09299 0.09407 0.23364 0.42102 85 8D+1 0.04489 -0.13587 0.40556 -0.02172 -0.18415 86 8D-1 -0.07307 -0.15720 -0.18946 0.07056 -0.01894 87 8D+2 0.10825 0.18561 -0.16894 0.38661 -0.24064 88 8D-2 0.06702 -0.19491 -0.04290 -0.06902 0.13541 89 5 Cu 1S -0.02082 -0.00377 -0.03254 0.11427 0.17229 90 2S -0.03394 -0.02267 -0.05587 0.14459 0.19092 91 3S 0.41710 -0.10160 0.11266 -2.09899 -3.74033 92 4PX 0.01077 0.00916 -0.00870 -0.01095 -0.02334 93 4PY 0.00113 0.01369 -0.00627 0.01387 0.02237 94 4PZ 0.00745 0.00429 0.01453 0.01667 0.02878 95 5PX -0.10098 0.01916 0.03589 0.22341 0.96621 96 5PY 0.13526 -0.20087 0.10332 -0.81015 -0.94817 97 5PZ -0.08226 -0.03671 -0.23575 -0.40945 -0.66029 98 6PX -0.09500 0.01810 -0.02949 0.37112 0.06801 99 6PY 0.10387 -0.04926 -0.03380 0.04635 -0.42997 100 6PZ 0.10002 0.02124 0.06324 0.09375 -0.05644 101 7D 0 0.02481 0.04694 0.00716 -0.00679 -0.03101 102 7D+1 0.06906 0.11871 -0.19837 -0.05810 -0.11447 103 7D-1 0.12889 0.17058 0.09563 0.11679 0.12855 104 7D+2 0.03804 -0.05983 0.07254 -0.09156 0.00042 105 7D-2 0.14439 -0.05864 0.09792 -0.08409 -0.16165 106 8D 0 -0.04838 -0.09837 -0.01924 0.03164 0.09561 107 8D+1 -0.15038 -0.24455 0.42667 0.15025 0.27994 108 8D-1 -0.25919 -0.37021 -0.20923 -0.29387 -0.32504 109 8D+2 -0.10792 0.09673 -0.14673 0.26620 -0.00656 110 8D-2 -0.30489 0.13891 -0.23119 0.21072 0.43471 111 6 Cu 1S -0.00172 -0.04564 0.00104 0.01721 -0.00136 112 2S -0.00195 -0.08048 -0.03987 -0.10658 0.00392 113 3S 0.04122 0.91096 -0.44701 -2.04601 0.09757 114 4PX -0.00442 -0.00187 0.00048 0.01260 0.00822 115 4PY 0.00032 0.00504 0.02016 -0.01146 -0.00094 116 4PZ 0.00260 -0.00410 -0.00354 0.01946 -0.00712 117 5PX 0.02985 0.06784 -0.13296 -0.55050 1.28406 118 5PY -0.00295 0.08187 -0.06868 -0.80771 -0.15886 119 5PZ -0.00700 0.07794 -0.16759 -0.71397 -0.85146 120 6PX 0.02990 0.07866 -0.06430 -0.14597 0.73163 121 6PY -0.00462 0.01416 0.06668 -0.92324 -0.07362 122 6PZ -0.01273 0.10270 -0.09935 -0.08616 -0.50046 123 7D 0 0.04955 -0.04339 0.04209 0.00217 0.20537 124 7D+1 -0.02861 0.10233 -0.11596 -0.01178 -0.08280 125 7D-1 -0.04947 -0.05542 0.13256 0.10286 0.02938 126 7D+2 -0.01094 -0.15509 0.18928 0.02291 -0.12288 127 7D-2 0.07908 0.01932 0.02526 0.06291 0.00428 128 8D 0 -0.09584 0.08570 -0.11163 0.00005 -0.59050 129 8D+1 0.05238 -0.22515 0.23570 0.00024 0.24466 130 8D-1 0.07775 0.13158 -0.27251 -0.30954 -0.05008 131 8D+2 0.03049 0.32859 -0.42973 -0.03831 0.33794 132 8D-2 -0.12841 -0.03238 -0.03923 -0.20649 -0.05798 133 7 Cu 1S 0.02234 -0.00500 -0.03162 0.09938 -0.18354 134 2S 0.03628 -0.02435 -0.05506 0.12683 -0.20698 135 3S -0.43231 -0.08616 0.09504 -1.77614 3.87493 136 4PX -0.00369 0.00398 0.01513 0.01842 -0.03984 137 4PY -0.00159 0.01455 -0.00984 0.00801 -0.01389 138 4PZ -0.01231 0.00855 -0.00229 -0.00510 0.01525 139 5PX 0.01678 -0.07963 -0.21324 -0.52164 1.14960 140 5PY -0.13291 -0.18198 0.13723 -0.62223 0.68229 141 5PZ 0.15095 0.02680 -0.05774 0.11455 -0.81002 142 6PX -0.14418 0.00533 0.06066 -0.01019 0.15531 143 6PY -0.07228 -0.04559 -0.05139 0.13699 0.38799 144 6PZ 0.06946 0.03048 0.00341 0.35750 -0.13519 145 7D 0 -0.01283 0.00654 -0.09069 -0.08390 0.03481 146 7D+1 -0.07820 0.10967 -0.14936 -0.03672 0.15097 147 7D-1 -0.18356 -0.01702 0.15093 -0.04975 0.09069 148 7D+2 -0.02077 0.04492 0.09835 0.01910 -0.09289 149 7D-2 -0.06741 0.20003 -0.00899 0.12276 -0.14543 150 8D 0 0.05111 -0.03561 0.20814 0.23621 -0.06971 151 8D+1 0.16096 -0.21470 0.31251 0.09327 -0.39185 152 8D-1 0.39209 0.03520 -0.34008 0.13296 -0.24989 153 8D+2 0.04809 -0.11719 -0.20545 -0.02278 0.22810 154 8D-2 0.12577 -0.42590 0.01984 -0.31872 0.37969 155 8 C 1S 0.00000 0.00560 0.01550 -0.01021 0.00073 156 2S -0.01059 -0.37613 -0.37819 -0.14501 0.00956 157 3S 0.02363 0.91337 0.80623 0.27535 -0.02389 158 4PX 0.01595 0.00686 0.05273 -0.02032 0.00026 159 4PY -0.00038 -0.08038 -0.22588 0.08138 -0.00594 160 4PZ -0.01261 0.02989 0.13071 -0.04679 0.00582 161 5PX -0.16345 -0.12922 -0.10793 -0.14761 0.18954 162 5PY 0.02777 0.11601 0.25353 -0.04348 -0.03322 163 5PZ 0.10993 -0.21761 -0.20726 -0.22994 -0.12076 164 9 O 1S 0.00016 0.00349 0.00110 0.00921 -0.00047 165 2S -0.00286 -0.03335 0.02476 -0.15523 0.00854 166 3S 0.00177 -0.06308 -0.15208 0.20837 -0.01157 167 4PX -0.02765 0.00349 -0.01245 -0.02709 0.03802 168 4PY 0.00647 0.00426 -0.04245 -0.04045 -0.00641 169 4PZ 0.01971 0.00307 -0.00600 -0.03777 -0.02648 170 5PX 0.08290 0.02247 0.05404 0.08046 -0.12577 171 5PY -0.01448 -0.04285 -0.08358 0.20857 0.01391 172 5PZ -0.05950 0.04571 0.09328 0.08862 0.08788 156 157 158 159 160 V V V V V EIGENVALUES -- 1.21769 1.24945 1.28574 1.29067 1.29414 1 1 Cu 1S 0.04548 0.00215 -0.00023 0.01627 -0.00099 2 2S 0.06882 0.00303 0.00071 -0.01924 -0.00787 3 3S -0.16998 -0.01671 0.01456 -0.67206 -0.06981 4 4PX -0.00285 0.00372 -0.01783 -0.00533 -0.01327 5 4PY 0.01172 -0.00080 0.00334 -0.01497 0.00073 6 4PZ -0.00660 -0.00285 0.01263 -0.00528 0.00781 7 5PX 0.06008 0.18725 0.23397 -0.06020 0.71354 8 5PY -0.10763 -0.01835 -0.05872 0.75403 -0.03950 9 5PZ 0.12727 -0.13037 -0.15478 -0.14914 -0.50409 10 6PX 0.00896 -0.07973 -0.13082 0.21809 -0.65290 11 6PY 0.04109 0.00848 0.03352 -0.42567 0.06487 12 6PZ -0.00650 0.06258 0.07620 0.30245 0.49331 13 7D 0 0.05239 -0.02440 -0.11759 -0.10135 -0.21807 14 7D+1 -0.01432 0.00714 0.05031 -0.02199 0.08055 15 7D-1 0.00698 -0.01726 -0.02748 0.01860 -0.07079 16 7D+2 0.09293 0.01886 0.08132 -0.17981 0.12801 17 7D-2 -0.02694 0.01979 0.00392 0.05784 0.05232 18 8D 0 -0.13076 0.08207 0.30847 0.29079 0.64357 19 8D+1 0.02055 -0.02507 -0.13280 0.08021 -0.23641 20 8D-1 -0.01584 0.05606 0.07489 -0.05741 0.20512 21 8D+2 -0.21868 -0.06280 -0.21557 0.50805 -0.37680 22 8D-2 0.06350 -0.06217 -0.01335 -0.16421 -0.14813 23 2 Cu 1S 0.00372 -0.03402 0.03831 0.00629 0.03782 24 2S -0.01606 -0.09514 0.09834 0.00930 0.11275 25 3S -0.54501 -0.57243 0.22947 -0.08819 0.42624 26 4PX 0.00195 0.00654 -0.00045 -0.01275 0.03205 27 4PY -0.01226 -0.02347 0.00268 0.02282 0.02189 28 4PZ 0.01561 0.02110 -0.01747 0.01729 0.01476 29 5PX 0.06581 -0.01242 0.00648 0.52768 -1.02585 30 5PY 0.43334 0.27272 -0.26187 -0.35172 -0.48118 31 5PZ -0.12239 -0.56505 0.21579 -0.19847 -0.31625 32 6PX 0.16923 0.20273 -0.12542 -0.24979 0.55671 33 6PY 0.03399 -0.01056 0.14546 0.44072 0.47550 34 6PZ 0.05941 0.20841 -0.03087 0.30470 0.60532 35 7D 0 -0.01070 0.12335 0.00679 0.04184 0.19567 36 7D+1 -0.07575 0.04661 0.19350 0.01487 0.12389 37 7D-1 -0.09286 -0.22724 0.09531 0.01539 0.09780 38 7D+2 -0.08327 -0.08440 0.06401 0.15442 -0.11238 39 7D-2 -0.00826 0.12811 0.15461 0.11319 -0.09455 40 8D 0 0.03990 -0.33098 -0.03281 -0.11909 -0.55795 41 8D+1 0.19147 -0.12066 -0.52210 -0.07001 -0.36093 42 8D-1 0.23445 0.58602 -0.26080 -0.02978 -0.28575 43 8D+2 0.21688 0.20563 -0.18350 -0.44277 0.32165 44 8D-2 0.01771 -0.33371 -0.42271 -0.35095 0.24631 45 3 Cu 1S 0.00386 0.03690 -0.04165 0.01139 -0.03574 46 2S -0.01588 0.10057 -0.10643 0.02364 -0.10881 47 3S -0.57053 0.55369 -0.23286 -0.06312 -0.45399 48 4PX 0.01198 -0.01216 0.01393 0.02633 -0.00334 49 4PY -0.01439 0.02449 -0.00683 0.01978 -0.02244 50 4PZ 0.00969 -0.01641 0.00748 -0.00251 -0.03260 51 5PX -0.06576 0.45448 -0.11850 -0.42036 -0.00915 52 5PY 0.45342 -0.33281 0.31246 -0.25732 0.60009 53 5PZ -0.06080 0.24797 -0.15201 0.29079 1.05494 54 6PX 0.02493 -0.11897 -0.06884 0.48010 -0.39067 55 6PY 0.07297 0.01271 -0.14602 0.37509 -0.42656 56 6PZ 0.18146 -0.25432 0.16565 -0.05904 -0.67275 57 7D 0 -0.09304 0.08259 -0.11712 0.05862 0.06998 58 7D+1 -0.02710 -0.17051 -0.16314 0.04478 -0.19992 59 7D-1 -0.06108 0.01156 -0.18843 0.11685 0.12771 60 7D+2 -0.05707 0.07059 0.01731 0.08828 -0.09904 61 7D-2 -0.07981 0.22794 -0.06605 -0.04979 -0.13853 62 8D 0 0.23661 -0.20853 0.31951 -0.18071 -0.20463 63 8D+1 0.07295 0.44445 0.44907 -0.15659 0.57608 64 8D-1 0.15274 -0.02445 0.52053 -0.35768 -0.34638 65 8D+2 0.15622 -0.16747 -0.03219 -0.23111 0.27908 66 8D-2 0.19699 -0.59345 0.17195 0.15389 0.39826 67 4 Cu 1S -0.03937 -0.00284 0.00147 -0.03229 -0.00149 68 2S -0.07982 -0.00628 0.00443 -0.10234 -0.00491 69 3S 0.47303 0.02650 -0.00314 -0.01840 -0.01031 70 4PX -0.00889 -0.00675 0.01072 -0.02627 0.01473 71 4PY 0.00953 0.00134 -0.00078 -0.03217 -0.00590 72 4PZ -0.01473 0.00301 -0.00585 -0.02855 -0.01418 73 5PX 0.06825 0.21442 -0.34982 0.70609 -0.52943 74 5PY 0.25117 -0.01315 0.02800 0.91361 0.18476 75 5PZ 0.02963 -0.13842 0.21033 0.74716 0.48057 76 6PX -0.09206 -0.21735 0.22523 -0.33333 0.37245 77 6PY -0.11194 0.02466 -0.01449 -0.51855 -0.10532 78 6PZ -0.10913 0.14222 -0.13913 -0.30110 -0.30530 79 7D 0 0.12763 -0.06747 0.06545 0.12137 0.10560 80 7D+1 0.27529 0.06238 -0.03891 0.05262 -0.03692 81 7D-1 0.05605 0.15867 -0.04694 -0.09291 -0.00842 82 7D+2 0.04639 -0.03054 -0.01655 0.14805 -0.03222 83 7D-2 0.06233 -0.24512 0.09400 -0.09912 0.02352 84 8D 0 -0.32861 0.17593 -0.18332 -0.33866 -0.30452 85 8D+1 -0.72886 -0.16769 0.10924 -0.14342 0.10770 86 8D-1 -0.13866 -0.43864 0.13395 0.25973 0.02515 87 8D+2 -0.10523 0.09096 0.04525 -0.41675 0.09407 88 8D-2 -0.16380 0.67519 -0.26638 0.27832 -0.06930 89 5 Cu 1S 0.01265 -0.00187 -0.00032 0.00004 -0.01135 90 2S 0.02921 -0.01073 0.01270 0.00628 0.01017 91 3S -0.07489 0.15780 0.04282 0.07316 0.33983 92 4PX 0.00952 0.00793 0.01439 0.01409 -0.00583 93 4PY 0.00083 0.01199 0.00613 0.00479 -0.01189 94 4PZ 0.01721 -0.01497 0.00742 0.00733 -0.00194 95 5PX 0.05913 -0.08485 -0.24724 -0.45105 0.10876 96 5PY 0.14651 -0.12789 -0.16523 -0.47413 0.05412 97 5PZ -0.19024 0.17695 0.00468 0.13360 0.33013 98 6PX 0.00337 0.07269 0.08591 0.33947 -0.19608 99 6PY -0.04972 0.09342 0.10862 0.37525 0.14282 100 6PZ 0.03054 -0.01440 -0.04856 -0.12040 -0.22741 101 7D 0 0.08518 -0.10668 0.00906 -0.03695 -0.06758 102 7D+1 -0.05326 0.03225 -0.01107 0.03615 0.00507 103 7D-1 0.01924 -0.01782 0.02117 0.05783 -0.01527 104 7D+2 -0.00077 -0.08202 -0.13065 -0.18817 0.07182 105 7D-2 0.01093 0.03066 0.04847 0.05489 -0.03096 106 8D 0 -0.20537 0.25966 -0.01037 0.12212 0.19868 107 8D+1 0.13656 -0.07849 0.01776 -0.10823 -0.02383 108 8D-1 -0.04034 0.04757 -0.05878 -0.15698 0.05603 109 8D+2 -0.02162 0.21321 0.34916 0.54152 -0.18208 110 8D-2 -0.02768 -0.06936 -0.13149 -0.14484 0.09203 111 6 Cu 1S 0.08487 0.00444 -0.00087 0.06714 0.00327 112 2S 0.21899 0.01039 -0.00299 0.20471 0.01222 113 3S 0.79172 0.00494 -0.01139 0.61412 0.06422 114 4PX -0.02234 -0.00052 -0.01179 -0.01311 -0.01842 115 4PY 0.01780 0.00009 0.00317 -0.03058 0.00050 116 4PZ -0.03587 -0.00076 0.00856 -0.01469 0.01087 117 5PX 0.42140 -0.00040 -0.01097 0.42862 -0.15218 118 5PY -0.12874 0.00296 -0.03413 0.76802 0.09119 119 5PZ 0.61219 0.02124 -0.00654 0.45533 0.17128 120 6PX -0.06130 0.15235 -0.08611 -0.11088 0.01923 121 6PY 0.27771 -0.02233 0.03892 -0.44330 -0.03284 122 6PZ -0.13989 -0.11855 0.06556 -0.08335 -0.02097 123 7D 0 -0.18378 0.00244 0.01939 -0.02801 -0.00384 124 7D+1 -0.30057 -0.00958 0.02161 -0.16934 -0.02685 125 7D-1 0.08673 0.01135 0.16842 -0.11579 -0.09724 126 7D+2 -0.07711 -0.00805 -0.08382 0.02858 0.04060 127 7D-2 0.05479 -0.01139 -0.21603 -0.14072 0.11203 128 8D 0 0.44892 -0.00501 -0.03973 0.07197 0.03249 129 8D+1 0.74142 0.02417 -0.06574 0.47754 0.07200 130 8D-1 -0.20916 -0.02780 -0.46313 0.31153 0.31322 131 8D+2 0.18592 0.01888 0.22409 -0.09326 -0.14473 132 8D-2 -0.13030 0.02821 0.59699 0.39575 -0.36457 133 7 Cu 1S 0.01100 0.00389 -0.00032 -0.00218 0.00816 134 2S 0.02699 0.01425 -0.01341 0.00380 -0.01407 135 3S -0.03240 -0.16304 -0.03659 0.09638 -0.29921 136 4PX 0.01230 0.01510 -0.00399 0.00275 0.00227 137 4PY 0.00065 -0.01562 -0.00822 0.00455 0.01353 138 4PZ 0.01499 0.00052 -0.01610 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0.23612 0.23561 -0.10532 -0.18000 0.01502 45 3 Cu 1S 0.03008 0.00422 -0.00070 -0.03079 -0.03477 46 2S 0.07810 0.00906 0.01758 -0.08081 0.03409 47 3S 0.07846 -0.02405 0.25864 -0.51862 0.96983 48 4PX -0.02352 0.00471 0.02237 0.01674 -0.02517 49 4PY -0.01456 0.00963 0.01374 0.00118 0.01898 50 4PZ 0.00329 0.01088 -0.00777 -0.00782 0.00551 51 5PX 1.12669 -0.39028 -0.62317 -0.43716 0.62235 52 5PY 0.67631 -0.29916 -0.67960 0.29095 -0.42049 53 5PZ 0.23145 -0.52446 0.58125 -0.00473 0.38003 54 6PX -1.23968 0.30576 0.74239 0.31027 0.02564 55 6PY -0.84553 0.19964 0.64616 -0.00044 -0.43735 56 6PZ -0.25724 0.42365 -0.52063 0.03982 -0.22377 57 7D 0 0.03197 -0.06998 0.09279 -0.02265 0.04983 58 7D+1 0.02524 0.04214 -0.12536 0.00796 -0.05013 59 7D-1 0.03987 -0.08189 0.05579 -0.01016 -0.00907 60 7D+2 -0.22513 0.06242 0.15238 -0.01666 -0.04404 61 7D-2 0.06717 0.03376 -0.06486 -0.20945 -0.04078 62 8D 0 -0.10183 0.21078 -0.26777 0.05362 -0.16071 63 8D+1 -0.08596 -0.11109 0.37309 -0.04037 0.17014 64 8D-1 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0.05020 104 7D+2 -0.13493 0.10390 0.05138 -0.08528 -0.00508 105 7D-2 0.07746 -0.05692 0.01007 -0.03647 -0.00937 106 8D 0 -0.31284 0.27892 -0.64169 0.41373 -0.08348 107 8D+1 0.07491 -0.06721 0.23790 -0.15831 0.14489 108 8D-1 -0.12910 0.07623 -0.15418 0.03377 -0.14420 109 8D+2 0.45384 -0.29429 -0.17852 0.23902 0.01467 110 8D-2 -0.25286 0.16573 -0.03109 0.09576 0.03765 111 6 Cu 1S -0.00386 0.06295 -0.00427 -0.05685 -0.20478 112 2S -0.01060 0.18050 -0.01233 -0.11227 -0.33074 113 3S -0.01372 0.26578 -0.02275 0.28559 1.22173 114 4PX 0.03740 0.00106 0.00867 -0.00116 -0.01566 115 4PY -0.00601 0.02169 -0.00309 0.00517 -0.00373 116 4PZ -0.02576 -0.00793 -0.00566 -0.00362 -0.02093 117 5PX -1.58632 -0.04866 -0.18714 -0.01157 0.27016 118 5PY 0.27440 -1.11406 0.11000 0.07663 -0.17062 119 5PZ 1.09740 0.32743 0.11044 -0.02808 0.41282 120 6PX 1.60815 0.14427 0.21869 0.10182 0.29557 121 6PY -0.27034 0.83061 -0.09702 0.13913 -0.13385 122 6PZ -1.12697 -0.14012 -0.15174 0.10254 0.48211 123 7D 0 -0.27363 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-0.00245 -0.16956 9 5PZ 0.50052 -0.19095 -0.69867 -0.01251 -0.48102 10 6PX -0.12270 0.10953 0.25113 0.30728 0.12282 11 6PY 0.04031 -0.02028 0.24064 -0.04782 -0.19527 12 6PZ -0.18267 -0.08039 0.31769 -0.23519 0.18142 13 7D 0 0.03764 -0.08549 -0.02214 -0.04925 -0.04802 14 7D+1 0.04184 0.03128 -0.05872 0.02577 -0.04496 15 7D-1 0.04793 -0.04005 -0.06133 0.00248 -0.01860 16 7D+2 0.05234 0.06140 -0.01214 0.02940 -0.04539 17 7D-2 0.02379 0.03391 -0.04550 -0.01552 -0.00421 18 8D 0 -0.12004 0.25954 0.07032 0.17588 0.17131 19 8D+1 -0.13787 -0.09360 0.19967 -0.09085 0.16144 20 8D-1 -0.16155 0.12986 0.20253 -0.00525 0.08045 21 8D+2 -0.16481 -0.18956 0.03071 -0.10633 0.16489 22 8D-2 -0.08301 -0.11439 0.15358 0.04866 0.02345 23 2 Cu 1S 0.28216 -0.88197 -0.50462 -0.54849 -0.73035 24 2S 0.64720 -1.85524 -1.05994 -1.05620 -1.35603 25 3S -0.35121 1.36035 0.63073 1.05328 1.10967 26 4PX 0.00425 -0.01561 -0.01204 -0.00306 0.02158 27 4PY 0.01039 -0.01586 -0.01085 0.02528 0.02637 28 4PZ -0.01426 0.01276 0.00579 0.00773 -0.00077 29 5PX 0.08382 0.48776 0.43313 0.43533 -0.14074 30 5PY -0.32555 0.83712 0.21165 -0.21274 -0.35420 31 5PZ 0.22156 -0.40881 -0.50117 -0.41585 -0.28055 32 6PX -0.09578 -0.43626 -0.37593 -1.32933 -0.04380 33 6PY -0.01984 -0.52356 -0.13934 1.22413 -0.07011 34 6PZ -0.12330 0.10505 0.10044 0.22303 0.81625 35 7D 0 -0.03265 -0.02649 0.01981 0.02900 0.06462 36 7D+1 -0.00161 -0.06205 0.01433 -0.02029 0.00909 37 7D-1 -0.01952 0.04036 0.01656 -0.00278 -0.01754 38 7D+2 0.07537 -0.02905 0.02500 0.06366 -0.02024 39 7D-2 0.00358 0.02704 0.08568 0.01109 -0.01733 40 8D 0 0.10280 0.08828 -0.07553 -0.10191 -0.23085 41 8D+1 0.01602 0.20374 -0.05792 0.07707 -0.03066 42 8D-1 0.09006 -0.15546 -0.06566 0.00469 0.03877 43 8D+2 -0.25126 0.11502 -0.07946 -0.22442 0.06977 44 8D-2 -0.01472 -0.08452 -0.29494 -0.04695 0.05339 45 3 Cu 1S 0.30555 0.88794 -0.48672 0.63880 -0.65010 46 2S 0.69524 1.86478 -1.02295 1.22273 -1.19877 47 3S -0.41972 -1.38851 0.59149 -1.23845 1.03638 48 4PX -0.01280 -0.01343 0.00652 -0.01210 -0.00443 49 4PY 0.01320 0.01983 -0.01387 -0.02630 0.02787 50 4PZ -0.00236 0.00764 -0.00765 0.00169 0.01629 51 5PX 0.11311 0.36953 -0.53866 0.56934 -0.19640 52 5PY -0.34699 -0.95495 0.36095 0.10306 -0.34840 53 5PZ 0.19580 -0.20510 0.20452 -0.28336 -0.21605 54 6PX -0.09496 -0.14087 0.15354 -0.94790 0.64237 55 6PY -0.00663 0.61732 -0.23351 -0.83897 -0.30860 56 6PZ -0.11117 0.30129 -0.29817 1.29717 0.41830 57 7D 0 0.06492 0.05468 0.00084 -0.02095 -0.02595 58 7D+1 -0.03555 0.04933 0.03436 0.00828 0.04693 59 7D-1 0.02244 -0.03706 0.08683 -0.02456 -0.03747 60 7D+2 0.00605 0.00993 0.00366 -0.05593 0.02727 61 7D-2 -0.03241 -0.02610 -0.01613 0.03417 -0.01341 62 8D 0 -0.20996 -0.19359 -0.00033 0.06852 0.09474 63 8D+1 0.12117 -0.16015 -0.12978 -0.03241 -0.16655 64 8D-1 -0.06814 0.12087 -0.29902 0.09821 0.11807 65 8D+2 -0.01890 -0.03475 -0.01502 0.19871 -0.10429 66 8D-2 0.13516 0.11144 0.04663 -0.11682 0.03161 67 4 Cu 1S -0.15750 0.00219 0.08152 -0.03751 0.62685 68 2S -0.30486 0.00572 0.21618 -0.07108 1.17267 69 3S 2.45580 -0.00624 0.70163 0.10552 -2.06239 70 4PX 0.02234 0.01548 0.01684 -0.03764 0.02625 71 4PY -0.02330 -0.00237 0.01593 0.00781 -0.04392 72 4PZ 0.03580 -0.01182 0.02044 0.02229 0.05203 73 5PX -0.45672 -0.49247 -0.51403 0.58417 0.19878 74 5PY 0.34399 0.08974 -0.51642 -0.02843 -0.60448 75 5PZ -0.69065 0.34943 -0.61128 -0.46532 0.33765 76 6PX -0.04347 -0.24328 -0.19163 0.23340 -0.11842 77 6PY 0.63609 0.02768 -0.33711 -0.08707 0.72793 78 6PZ -0.22648 0.17534 -0.19052 -0.13649 -0.38001 79 7D 0 -0.02223 0.02852 -0.01121 -0.04623 -0.00686 80 7D+1 0.02243 -0.00758 0.02893 0.01578 0.01650 81 7D-1 -0.09921 0.03585 0.02510 -0.01898 -0.00586 82 7D+2 -0.08944 -0.02754 -0.03016 0.03419 -0.01740 83 7D-2 -0.04040 -0.03940 0.02925 0.01483 0.00463 84 8D 0 0.07119 -0.09848 0.02883 0.16028 0.02649 85 8D+1 -0.09062 0.02428 -0.12597 -0.05571 -0.04672 86 8D-1 0.35805 -0.13935 -0.10187 0.06927 -0.02593 87 8D+2 0.31282 0.10190 0.10080 -0.11700 0.04304 88 8D-2 0.14789 0.15757 -0.11318 -0.04904 -0.04149 89 5 Cu 1S -0.50428 0.50040 -0.35411 -1.02868 -0.43039 90 2S -1.06952 1.07126 -0.75202 -1.93363 -0.75264 91 3S -0.46768 -0.08806 -0.27748 3.37494 0.16423 92 4PX -0.01416 0.01316 -0.01787 0.02230 0.01138 93 4PY 0.01150 -0.02251 0.01138 -0.01687 -0.01810 94 4PZ 0.01097 -0.01050 0.00659 -0.02167 -0.00977 95 5PX 0.61833 -0.43175 0.71605 0.07475 0.08871 96 5PY -0.67029 0.92750 -0.31982 -0.21205 -0.00739 97 5PZ -0.55824 0.54440 -0.44403 -0.01533 0.00765 98 6PX -0.12749 0.18813 -0.04649 0.07556 -0.01714 99 6PY 0.00459 -0.38214 0.29069 0.60691 -0.21099 100 6PZ 0.03292 -0.15570 0.12296 -0.43524 -0.04391 101 7D 0 -0.04476 0.03752 -0.02253 0.00541 0.04493 102 7D+1 -0.04307 0.02380 -0.05307 0.01144 -0.02463 103 7D-1 0.05246 -0.07351 0.00900 0.00893 0.01044 104 7D+2 -0.00557 0.07523 0.08182 0.01710 0.00771 105 7D-2 -0.06047 0.05372 -0.06946 -0.01812 0.02600 106 8D 0 0.13985 -0.11749 0.06813 -0.00812 -0.14871 107 8D+1 0.14517 -0.07998 0.18163 -0.02936 0.08391 108 8D-1 -0.18290 0.24362 -0.02841 -0.04100 -0.03261 109 8D+2 0.02212 -0.24547 -0.25234 -0.05482 -0.02133 110 8D-2 0.19747 -0.18322 0.22475 0.08409 -0.07867 111 6 Cu 1S 0.26917 -0.00991 1.06976 0.05512 -0.94797 112 2S 0.59511 -0.02271 2.23573 0.09855 -1.72098 113 3S -0.23101 -0.01392 -1.47753 -0.19374 2.93127 114 4PX -0.00867 -0.00302 -0.01750 -0.03424 -0.03111 115 4PY 0.00498 0.00076 -0.00883 0.00615 -0.00654 116 4PZ -0.01293 0.00323 -0.02296 0.02808 -0.03831 117 5PX 0.10118 -0.16438 0.70573 0.58643 0.27599 118 5PY -0.40410 0.02042 0.29595 -0.08865 -0.17155 119 5PZ 0.22986 0.08530 0.95734 -0.46349 0.35924 120 6PX 0.02605 -0.14023 -0.38035 -1.47659 0.32890 121 6PY 0.12674 0.02839 -0.50966 0.20440 0.46983 122 6PZ 0.03097 0.09780 -0.44873 0.98222 0.55756 123 7D 0 -0.01246 -0.00649 -0.00510 0.09032 0.00637 124 7D+1 0.04991 0.01064 0.02249 -0.03873 0.00389 125 7D-1 0.04197 0.05501 -0.06860 0.00441 -0.02001 126 7D+2 -0.04178 -0.01912 -0.04323 -0.04804 -0.01099 127 7D-2 0.04658 -0.07659 -0.03309 0.02106 -0.01063 128 8D 0 0.03266 0.02655 0.01396 -0.31462 -0.01892 129 8D+1 -0.19331 -0.03827 -0.09893 0.13403 -0.00528 130 8D-1 -0.13413 -0.19094 0.23397 -0.01482 0.05323 131 8D+2 0.14387 0.06433 0.15564 0.16767 0.03321 132 8D-2 -0.15571 0.26732 0.10745 -0.07233 0.02831 133 7 Cu 1S -0.52111 -0.47934 -0.35818 1.07483 -0.30784 134 2S -1.10666 -1.02751 -0.76146 2.01403 -0.52471 135 3S -0.45042 0.11138 -0.28966 -3.31712 -0.27460 136 4PX 0.01763 0.01775 0.01434 0.03188 -0.01193 137 4PY 0.00731 0.01769 0.00716 0.01031 -0.01255 138 4PZ -0.01117 -0.01150 -0.01614 -0.01654 0.00761 139 5PX -0.87700 -0.79376 -0.71524 0.09515 -0.02813 140 5PY -0.46518 -0.72006 -0.11424 0.18494 0.01467 141 5PZ 0.48006 0.32142 0.56484 -0.10621 0.08569 142 6PX 0.08959 0.27625 0.19220 0.31512 -0.04009 143 6PY -0.01942 0.30754 0.25227 -0.63470 -0.28517 144 6PZ -0.10240 -0.17533 -0.05014 0.16020 0.02062 145 7D 0 -0.00701 -0.05021 0.05143 -0.01660 -0.03193 146 7D+1 -0.07339 -0.03287 -0.09126 -0.00343 0.00856 147 7D-1 -0.03108 -0.03956 -0.02629 0.00439 0.02661 148 7D+2 0.00904 -0.02080 0.05727 -0.02217 0.03721 149 7D-2 0.06606 0.09892 0.00027 -0.00736 -0.01515 150 8D 0 0.03128 0.16456 -0.15089 0.05638 0.10838 151 8D+1 0.23927 0.10800 0.29674 -0.00614 -0.02771 152 8D-1 0.09854 0.13461 0.08928 -0.03188 -0.08165 153 8D+2 -0.03815 0.06013 -0.18574 0.07787 -0.12245 154 8D-2 -0.22408 -0.32577 0.00015 0.04094 0.05058 155 8 C 1S 0.00719 -0.00012 -0.00305 -0.00071 0.00872 156 2S 0.22556 -0.00403 0.04597 -0.02948 0.30025 157 3S 1.54177 -0.02547 -0.60510 0.03308 0.29310 158 4PX -0.02790 -0.01353 -0.01870 0.05891 -0.01930 159 4PY -0.09855 0.00410 0.04551 -0.00734 -0.07415 160 4PZ -0.01239 0.01070 -0.03914 -0.03866 -0.01580 161 5PX 0.02230 0.20384 0.13043 -0.50571 0.47752 162 5PY -0.56523 -0.01753 0.39523 0.15238 -1.26025 163 5PZ 0.16881 -0.15476 0.09027 0.26568 1.04002 164 9 O 1S -0.05601 0.00099 0.01288 0.00094 -0.01980 165 2S 1.30249 -0.02554 -0.35898 -0.03999 0.82482 166 3S -2.41863 0.05052 0.76564 0.09173 -1.94430 167 4PX -0.01371 0.02746 0.01253 -0.06647 0.04748 168 4PY 0.04195 -0.00513 0.00805 0.01070 0.00023 169 4PZ -0.03004 -0.01966 0.01578 0.04130 0.07387 170 5PX 0.14101 -0.10728 -0.08508 0.24805 -0.11483 171 5PY -0.67403 0.02987 0.14425 -0.02134 -0.41283 172 5PZ 0.36734 0.06962 -0.15648 -0.16246 -0.08527 171 172 V V EIGENVALUES -- 2.36400 10.22224 1 1 Cu 1S -1.14221 -0.42823 2 2S -2.12174 -0.65377 3 3S 3.32183 -2.76635 4 4PX 0.02094 0.01023 5 4PY 0.02964 0.01249 6 4PZ 0.02340 0.01191 7 5PX 0.14731 0.32703 8 5PY 0.15490 0.86371 9 5PZ 0.18085 0.28438 10 6PX -0.23977 0.31887 11 6PY 0.48024 0.48903 12 6PZ -0.45553 0.33311 13 7D 0 -0.01464 0.00127 14 7D+1 0.00048 -0.00228 15 7D-1 0.00348 0.01750 16 7D+2 -0.02343 0.00917 17 7D-2 0.00952 0.00929 18 8D 0 0.04313 0.00282 19 8D+1 -0.02282 -0.00209 20 8D-1 -0.02815 -0.11224 21 8D+2 0.07858 -0.02894 22 8D-2 -0.04595 -0.07079 23 2 Cu 1S -0.56139 -1.08287 24 2S -1.07965 -1.71154 25 3S 0.38725 0.46890 26 4PX 0.00118 0.02229 27 4PY -0.02063 0.04798 28 4PZ -0.03397 -0.05347 29 5PX 0.30754 0.18904 30 5PY 0.87532 0.66766 31 5PZ 0.32160 -0.72071 32 6PX -0.70029 -0.02933 33 6PY -1.00470 0.01513 34 6PZ -1.40165 0.67108 35 7D 0 -0.07762 0.00183 36 7D+1 0.00748 0.00179 37 7D-1 -0.02319 -0.01674 38 7D+2 -0.04053 -0.00149 39 7D-2 0.02115 -0.00210 40 8D 0 0.27842 -0.02440 41 8D+1 -0.02240 0.02605 42 8D-1 0.08180 0.14262 43 8D+2 0.14689 0.02000 44 8D-2 -0.08595 -0.01997 45 3 Cu 1S -0.55792 -1.07230 46 2S -1.07303 -1.69642 47 3S 0.40898 0.42504 48 4PX -0.03583 -0.04659 49 4PY -0.01476 0.05781 50 4PZ -0.00791 -0.00491 51 5PX 0.36715 -0.59698 52 5PY 0.84904 0.78727 53 5PZ 0.27967 -0.16447 54 6PX -1.26473 0.63391 55 6PY -0.91079 -0.06322 56 6PZ -0.98985 0.19098 57 7D 0 -0.00293 0.00072 58 7D+1 -0.02090 0.00318 59 7D-1 0.00371 -0.00840 60 7D+2 -0.09015 -0.00473 61 7D-2 0.00377 -0.01411 62 8D 0 0.01621 0.03166 63 8D+1 0.07564 -0.01227 64 8D-1 -0.02269 0.03996 65 8D+2 0.32474 0.03576 66 8D-2 -0.01110 0.13792 67 4 Cu 1S 0.25190 -3.36939 68 2S 0.44390 -5.41636 69 3S -1.14707 12.36672 70 4PX -0.01194 0.03866 71 4PY -0.06362 -0.05238 72 4PZ -0.00246 0.06596 73 5PX 0.27953 -2.61819 74 5PY 1.32681 5.50791 75 5PZ 0.09417 -4.97535 76 6PX 0.35654 -0.70671 77 6PY 0.85862 -1.54805 78 6PZ 0.32671 -0.58555 79 7D 0 0.00867 0.00340 80 7D+1 -0.02214 0.02557 81 7D-1 -0.00530 -0.06817 82 7D+2 0.02825 -0.03355 83 7D-2 -0.01443 -0.03491 84 8D 0 -0.03140 -0.02869 85 8D+1 0.07300 -0.20066 86 8D-1 0.02740 0.50430 87 8D+2 -0.09466 0.25053 88 8D-2 0.05493 0.25660 89 5 Cu 1S 0.59561 -0.28213 90 2S 1.14840 -0.44116 91 3S -1.07964 -3.31965 92 4PX 0.00198 0.00642 93 4PY 0.00875 -0.01485 94 4PZ 0.00514 0.00807 95 5PX -0.23359 0.31674 96 5PY 0.28922 -0.28465 97 5PZ 0.25890 -0.78932 98 6PX 0.31690 0.27107 99 6PY -0.07974 0.30055 100 6PZ 0.49326 -1.03256 101 7D 0 0.01038 -0.00823 102 7D+1 0.02084 -0.00841 103 7D-1 0.00804 0.01379 104 7D+2 0.03943 0.00213 105 7D-2 -0.00588 -0.00133 106 8D 0 -0.04109 0.04163 107 8D+1 -0.07498 0.05986 108 8D-1 -0.02163 -0.09854 109 8D+2 -0.15109 -0.00838 110 8D-2 0.00969 0.02001 111 6 Cu 1S 0.42062 -0.85254 112 2S 0.81606 -1.36836 113 3S -0.78092 0.15528 114 4PX 0.00057 -0.03449 115 4PY -0.00976 0.00278 116 4PZ 0.00300 -0.04947 117 5PX 0.24945 -0.51857 118 5PY 0.65311 0.02802 119 5PZ 0.21974 -0.74439 120 6PX 0.05325 0.17291 121 6PY -1.54027 0.09362 122 6PZ 0.41816 0.20000 123 7D 0 0.01741 0.01150 124 7D+1 -0.01557 0.02092 125 7D-1 -0.04644 -0.00403 126 7D+2 0.02480 0.00379 127 7D-2 -0.04256 -0.00168 128 8D 0 -0.06395 -0.08795 129 8D+1 0.05396 -0.16167 130 8D-1 0.17964 0.01470 131 8D+2 -0.08645 -0.03315 132 8D-2 0.16094 0.00254 133 7 Cu 1S 0.60090 -0.27749 134 2S 1.15683 -0.43480 135 3S -1.12256 -3.30494 136 4PX 0.00668 0.00293 137 4PY 0.00810 -0.01435 138 4PZ 0.00248 0.01113 139 5PX 0.36352 -0.87513 140 5PY 0.18553 -0.09565 141 5PZ -0.16417 0.05724 142 6PX 0.33124 -0.98522 143 6PY -0.07997 0.49763 144 6PZ 0.48320 -0.17261 145 7D 0 0.03686 -0.00134 146 7D+1 0.00910 -0.01248 147 7D-1 0.00795 0.00550 148 7D+2 0.02448 0.00171 149 7D-2 0.00140 0.01142 150 8D 0 -0.13637 0.01736 151 8D+1 -0.03507 0.08070 152 8D-1 -0.03892 -0.02690 153 8D+2 -0.08931 -0.02438 154 8D-2 0.00696 -0.08307 155 8 C 1S -0.00116 -0.05003 156 2S -0.17397 -0.93998 157 3S 1.64177 4.22807 158 4PX 0.04002 -0.05947 159 4PY -0.07209 0.08458 160 4PZ 0.07758 -0.10312 161 5PX -0.20332 -1.35837 162 5PY -0.96206 3.40852 163 5PZ -0.06450 -2.71941 164 9 O 1S -0.01667 -0.01028 165 2S 0.69737 -0.48045 166 3S -1.70871 1.71002 167 4PX -0.01806 -0.09235 168 4PY -0.04808 0.11186 169 4PZ -0.01711 -0.15544 170 5PX 0.14882 0.42951 171 5PY -0.22573 -0.18152 172 5PZ 0.27820 0.63417 Beta Molecular Orbital Coefficients. 1 2 3 4 5 O O O O O EIGENVALUES -- -19.26051 -10.34243 -4.34319 -4.30046 -4.30019 1 1 Cu 1S -0.00010 0.00028 0.00041 0.00871 0.00447 2 2S -0.00017 0.00039 -0.00077 -0.00063 -0.00032 3 3S -0.00013 -0.00247 -0.00364 -0.00077 -0.00042 4 4PX 0.00000 -0.00001 0.00002 0.00009 0.00010 5 4PY 0.00001 -0.00005 0.00008 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0.00121 0.00039 0.00042 -0.00001 -0.00005 62 8D 0 -0.00055 0.00034 -0.00030 -0.00044 0.00064 63 8D+1 0.00087 0.00083 -0.00054 0.00069 0.00000 64 8D-1 -0.00022 -0.00065 -0.00012 -0.00138 0.00180 65 8D+2 -0.00086 -0.00077 0.00092 0.00060 -0.00125 66 8D-2 -0.00004 0.00044 -0.00050 0.00039 0.00016 67 4 Cu 1S -0.00007 -0.00129 -0.00027 -0.00004 -0.00101 68 2S 0.00000 -0.00024 -0.00006 -0.00002 -0.00044 69 3S -0.00156 0.00246 0.00081 -0.00063 -0.01097 70 4PX 0.00410 -0.00028 0.00340 -0.00104 0.00382 71 4PY -0.00124 -0.00587 -0.00177 0.00018 -0.00087 72 4PZ -0.00257 0.00238 -0.00204 0.00112 0.00540 73 5PX 0.00341 -0.00285 0.00109 -0.00240 0.00411 74 5PY -0.00155 0.00142 0.00006 0.00042 0.00129 75 5PZ -0.00206 -0.00377 -0.00218 0.00219 0.00524 76 6PX 0.00841 -0.00171 0.00533 0.00979 0.00104 77 6PY 0.00019 -0.00385 -0.00180 -0.00149 -0.00042 78 6PZ -0.00435 0.00067 -0.00400 -0.00678 0.00222 79 7D 0 0.00020 0.00002 0.00015 0.00007 -0.00011 80 7D+1 -0.00010 -0.00001 -0.00007 -0.00004 -0.00012 81 7D-1 -0.00009 0.00021 0.00000 -0.00001 0.00002 82 7D+2 -0.00007 0.00017 -0.00002 -0.00004 -0.00009 83 7D-2 0.00019 0.00007 0.00012 0.00003 0.00003 84 8D 0 -0.00116 0.00004 -0.00078 -0.00069 0.00048 85 8D+1 0.00059 0.00042 0.00045 0.00033 0.00046 86 8D-1 0.00041 -0.00138 -0.00018 0.00005 -0.00008 87 8D+2 0.00049 -0.00099 0.00014 0.00038 0.00041 88 8D-2 -0.00097 -0.00057 -0.00048 -0.00024 -0.00013 89 5 Cu 1S 0.00016 -0.00018 -0.00002 -0.00135 -0.00114 90 2S 0.00062 0.00049 -0.00024 -0.00015 -0.00124 91 3S 0.00569 -0.00391 -0.00175 0.00021 -0.00606 92 4PX -0.00024 0.00194 -0.00787 -0.05149 -0.01570 93 4PY 0.00805 0.01888 -0.00999 0.02871 0.01217 94 4PZ -0.00076 0.00699 -0.00430 0.00526 0.00714 95 5PX -0.00009 -0.00205 0.00116 -0.00067 0.00346 96 5PY 0.00176 -0.00055 -0.00041 0.00165 -0.00013 97 5PZ 0.00121 -0.00029 0.00048 0.00271 0.00037 98 6PX 0.00034 0.00474 -0.00542 -0.00258 0.00325 99 6PY 0.00369 0.00079 0.00046 -0.00164 0.00111 100 6PZ -0.00184 -0.00097 -0.00403 -0.00723 0.00016 101 7D 0 0.00007 0.00005 -0.00003 0.00028 0.00002 102 7D+1 0.00000 0.00004 0.00002 0.00016 0.00001 103 7D-1 -0.00010 -0.00010 0.00006 -0.00009 -0.00004 104 7D+2 0.00012 0.00022 -0.00021 -0.00026 -0.00003 105 7D-2 0.00005 0.00007 -0.00002 0.00044 0.00008 106 8D 0 -0.00030 -0.00042 0.00027 -0.00132 -0.00005 107 8D+1 -0.00007 -0.00023 -0.00013 -0.00068 0.00035 108 8D-1 0.00077 0.00027 -0.00012 0.00034 -0.00006 109 8D+2 -0.00064 -0.00116 0.00108 0.00164 0.00036 110 8D-2 -0.00030 -0.00056 0.00024 -0.00197 -0.00018 111 6 Cu 1S -0.00002 -0.00008 -0.00005 0.00003 0.00112 112 2S -0.00003 -0.00089 -0.00015 -0.00018 -0.00413 113 3S -0.00124 -0.00955 -0.00301 0.00298 0.05992 114 4PX 0.00825 -0.12159 0.11134 0.81318 0.51127 115 4PY 0.00140 -0.12286 -0.05802 -0.09800 0.37694 116 4PZ -0.00267 -0.09375 -0.13514 -0.51831 0.72115 117 5PX 0.00112 -0.00617 0.00259 0.01794 0.01792 118 5PY -0.00042 -0.00236 -0.00141 -0.00198 0.01077 119 5PZ -0.00102 -0.00676 -0.00488 -0.01067 0.02474 120 6PX 0.00605 0.00277 -0.00616 -0.01999 0.00305 121 6PY -0.00092 -0.00464 0.00008 0.00288 -0.00381 122 6PZ -0.00403 0.00199 0.00516 0.01427 0.00334 123 7D 0 0.00002 -0.00003 0.00040 0.00089 -0.00067 124 7D+1 -0.00001 0.00035 -0.00004 -0.00040 -0.00146 125 7D-1 0.00000 0.00040 0.00036 0.00047 -0.00078 126 7D+2 -0.00001 0.00008 -0.00030 -0.00071 -0.00026 127 7D-2 0.00000 0.00040 -0.00014 -0.00052 -0.00060 128 8D 0 -0.00001 0.00000 -0.00146 0.00066 0.00065 129 8D+1 -0.00001 -0.00083 0.00031 -0.00017 0.00056 130 8D-1 0.00010 -0.00114 -0.00110 0.00043 -0.00068 131 8D+2 0.00000 -0.00073 0.00096 -0.00048 0.00068 132 8D-2 -0.00022 -0.00107 0.00057 -0.00044 -0.00055 133 7 Cu 1S -0.00005 -0.00018 -0.00003 0.00123 -0.00124 134 2S -0.00070 0.00030 0.00046 0.00002 -0.00122 135 3S -0.00522 -0.00457 -0.00015 -0.00067 -0.00601 136 4PX -0.00300 0.00707 0.00707 -0.02524 0.01639 137 4PY -0.01272 0.01143 0.01741 -0.01591 0.00934 138 4PZ 0.00258 -0.00108 0.00764 0.04807 -0.01808 139 5PX -0.00191 0.00017 0.00011 -0.00310 -0.00051 140 5PY -0.00172 -0.00102 -0.00023 -0.00102 0.00062 141 5PZ -0.00002 -0.00118 -0.00208 0.00025 0.00331 142 6PX 0.00247 -0.00277 0.00070 0.00619 -0.00114 143 6PY -0.00494 0.00154 0.00080 0.00124 0.00159 144 6PZ 0.00042 0.00093 0.00749 0.00490 0.00270 145 7D 0 -0.00009 0.00009 0.00019 0.00028 -0.00006 146 7D+1 -0.00004 0.00003 -0.00004 -0.00045 0.00009 147 7D-1 -0.00006 0.00005 0.00009 -0.00023 0.00007 148 7D+2 -0.00009 0.00003 0.00013 0.00010 -0.00005 149 7D-2 0.00020 -0.00010 -0.00018 0.00015 -0.00007 150 8D 0 0.00057 -0.00043 -0.00086 -0.00159 0.00066 151 8D+1 0.00022 -0.00024 0.00005 0.00216 -0.00010 152 8D-1 0.00027 -0.00042 -0.00076 0.00091 -0.00018 153 8D+2 0.00032 -0.00025 -0.00084 -0.00061 0.00012 154 8D-2 -0.00124 0.00039 0.00080 -0.00054 0.00005 155 8 C 1S 0.00000 -0.00002 -0.00001 0.00000 -0.00003 156 2S 0.00004 -0.00072 -0.00016 0.00000 -0.00037 157 3S -0.00024 0.00245 0.00057 0.00002 0.00167 158 4PX 0.00006 0.00006 0.00010 -0.00006 0.00004 159 4PY -0.00001 -0.00035 -0.00009 0.00001 -0.00004 160 4PZ -0.00005 0.00020 -0.00002 0.00004 0.00006 161 5PX -0.00182 0.00066 -0.00132 0.00050 -0.00073 162 5PY 0.00020 0.00123 0.00053 -0.00022 -0.00246 163 5PZ 0.00155 0.00009 0.00105 -0.00038 -0.00037 164 9 O 1S 0.00000 0.00000 0.00000 0.00000 0.00002 165 2S 0.00001 0.00007 0.00002 0.00002 0.00045 166 3S -0.00006 -0.00036 -0.00009 -0.00008 -0.00192 167 4PX -0.00007 0.00009 -0.00006 0.00005 0.00001 168 4PY 0.00002 -0.00004 0.00000 -0.00001 -0.00007 169 4PZ 0.00006 0.00010 0.00008 -0.00004 0.00003 170 5PX 0.00058 -0.00043 0.00046 -0.00025 0.00020 171 5PY -0.00014 -0.00018 -0.00013 0.00004 -0.00003 172 5PZ -0.00049 -0.00034 -0.00046 0.00020 0.00028 21 22 23 24 25 O O O O O EIGENVALUES -- -2.80228 -2.79675 -2.79564 -2.79556 -2.79379 1 1 Cu 1S 0.00000 -0.00216 0.00062 0.00087 -0.00001 2 2S 0.00018 0.00542 0.00103 0.00144 0.00000 3 3S 0.00579 -0.04794 0.00660 0.00924 -0.00017 4 4PX -0.00275 0.53831 -0.00129 -0.00353 0.81188 5 4PY -0.00159 0.50977 -0.00224 -0.00296 -0.12504 6 4PZ -0.00343 0.66177 -0.00322 -0.00335 -0.56416 7 5PX -0.00105 0.01537 0.00071 -0.00183 0.01694 8 5PY -0.00082 0.01666 -0.00232 -0.00280 -0.00258 9 5PZ -0.00132 0.01836 -0.00136 0.00005 -0.01172 10 6PX 0.00132 0.00072 0.00037 -0.00318 -0.00787 11 6PY -0.00318 0.00096 -0.00186 -0.00200 0.00125 12 6PZ 0.00262 0.00077 -0.00282 -0.00131 0.00546 13 7D 0 -0.00003 0.00038 -0.00001 0.00004 -0.00152 14 7D+1 -0.00006 0.00171 0.00001 0.00000 0.00053 15 7D-1 -0.00001 0.00164 -0.00007 -0.00003 -0.00098 16 7D+2 -0.00002 -0.00004 0.00004 0.00000 0.00123 17 7D-2 -0.00001 0.00137 0.00001 -0.00007 0.00097 18 8D 0 0.00017 0.00036 0.00005 -0.00025 -0.00044 19 8D+1 0.00032 0.00016 -0.00010 -0.00005 0.00019 20 8D-1 0.00002 -0.00008 0.00038 0.00012 0.00002 21 8D+2 0.00009 0.00044 -0.00023 0.00003 0.00022 22 8D-2 0.00002 -0.00018 -0.00007 0.00036 -0.00014 23 2 Cu 1S 0.00020 0.00167 -0.00179 0.00079 -0.00002 24 2S 0.00144 0.00022 -0.00036 0.00162 0.00151 25 3S 0.00138 0.02027 -0.02197 -0.00026 -0.01724 26 4PX 0.04752 0.00604 -0.00681 -0.00137 -0.00872 27 4PY 0.00401 0.01225 0.05162 0.00737 -0.00739 28 4PZ 0.01700 0.05581 0.00669 0.00217 -0.02670 29 5PX -0.00023 0.00086 -0.00097 -0.00159 -0.00138 30 5PY -0.00343 -0.00058 0.00443 0.00058 0.00224 31 5PZ 0.00088 0.00421 -0.00139 0.00034 0.00010 32 6PX -0.00442 0.00179 -0.00148 0.00061 0.00710 33 6PY 0.00482 0.00032 0.00587 -0.00194 -0.00088 34 6PZ -0.00143 0.00637 -0.00099 0.00188 -0.00537 35 7D 0 0.00010 0.00036 0.00023 0.00004 -0.00035 36 7D+1 -0.00006 0.00007 0.00002 0.00004 -0.00004 37 7D-1 0.00001 0.00023 -0.00017 -0.00001 -0.00015 38 7D+2 0.00001 0.00002 0.00032 0.00003 -0.00001 39 7D-2 -0.00017 0.00003 0.00008 -0.00001 -0.00001 40 8D 0 -0.00094 -0.00265 -0.00153 -0.00031 0.00245 41 8D+1 0.00008 -0.00033 -0.00009 -0.00023 -0.00012 42 8D-1 -0.00004 -0.00122 0.00089 0.00008 0.00080 43 8D+2 -0.00002 -0.00005 -0.00237 -0.00024 0.00006 44 8D-2 0.00152 -0.00015 -0.00043 0.00011 -0.00012 45 3 Cu 1S 0.00019 0.00167 0.00131 -0.00145 0.00004 46 2S 0.00145 0.00025 0.00165 0.00016 -0.00150 47 3S 0.00121 0.02018 0.00672 -0.02092 0.01734 48 4PX 0.00160 0.05255 -0.00210 0.01885 0.02390 49 4PY 0.01161 0.00511 -0.00879 0.04756 0.00519 50 4PZ 0.05315 0.02366 0.00216 -0.01142 0.01666 51 5PX 0.00021 0.00357 0.00095 0.00021 -0.00091 52 5PY -0.00346 -0.00098 -0.00118 0.00419 -0.00184 53 5PZ 0.00065 0.00237 -0.00072 -0.00239 0.00157 54 6PX 0.00091 0.00529 0.00087 0.00101 0.00744 55 6PY 0.00398 -0.00027 -0.00368 0.00455 -0.00139 56 6PZ -0.00537 0.00386 0.00222 -0.00198 -0.00475 57 7D 0 -0.00002 -0.00008 -0.00002 0.00016 -0.00009 58 7D+1 -0.00003 0.00025 0.00001 0.00010 0.00022 59 7D-1 -0.00015 0.00008 -0.00004 0.00009 0.00004 60 7D+2 0.00014 0.00032 -0.00004 0.00023 0.00030 61 7D-2 0.00002 0.00012 0.00008 -0.00029 0.00006 62 8D 0 0.00000 0.00074 0.00017 -0.00125 0.00085 63 8D+1 -0.00011 -0.00166 -0.00011 -0.00050 -0.00119 64 8D-1 0.00140 -0.00034 0.00030 -0.00063 0.00000 65 8D+2 -0.00112 -0.00218 0.00031 -0.00182 -0.00213 66 8D-2 -0.00021 -0.00048 -0.00046 0.00175 -0.00013 67 4 Cu 1S 0.00088 0.00040 -0.00042 -0.00059 0.00000 68 2S 0.00040 -0.00034 0.00038 0.00052 0.00000 69 3S 0.00048 0.02870 -0.02476 -0.03430 -0.00002 70 4PX -0.00298 0.00220 -0.00385 0.00831 -0.00044 71 4PY -0.00040 0.00691 0.00197 0.00066 0.00005 72 4PZ -0.00415 0.00164 0.00799 0.00154 0.00030 73 5PX -0.00161 0.00110 -0.00123 0.00178 -0.00242 74 5PY -0.00397 0.00148 0.00199 0.00222 0.00042 75 5PZ -0.00141 0.00131 0.00140 -0.00058 0.00169 76 6PX -0.00342 0.00011 -0.00017 0.00479 -0.00305 77 6PY -0.00398 0.00217 0.00225 0.00229 0.00049 78 6PZ -0.00405 -0.00017 0.00433 0.00244 0.00225 79 7D 0 0.00010 -0.00015 -0.00033 0.00014 0.00000 80 7D+1 0.00009 0.00003 0.00018 0.00002 0.00000 81 7D-1 -0.00007 0.00011 -0.00016 -0.00003 0.00000 82 7D+2 0.00008 -0.00023 0.00004 -0.00033 0.00000 83 7D-2 -0.00007 0.00016 0.00005 -0.00003 0.00000 84 8D 0 -0.00040 0.00073 0.00172 -0.00081 0.00004 85 8D+1 -0.00025 -0.00017 -0.00102 -0.00022 0.00000 86 8D-1 0.00060 -0.00076 0.00104 0.00032 0.00014 87 8D+2 -0.00031 0.00109 -0.00021 0.00188 -0.00009 88 8D-2 0.00050 -0.00089 -0.00028 0.00033 -0.00019 89 5 Cu 1S 0.00075 -0.00077 0.00213 0.00132 0.00054 90 2S 0.00012 -0.00138 -0.00536 0.00077 0.00095 91 3S 0.00424 -0.00831 0.04801 0.01777 0.00722 92 4PX 0.04144 -0.00251 -0.50451 -0.08067 -0.00463 93 4PY -0.01826 0.00209 0.71256 0.11595 0.00124 94 4PZ -0.00948 0.00189 0.44617 0.07175 -0.00845 95 5PX -0.00153 -0.00039 -0.01510 -0.00422 -0.00013 96 5PY -0.00195 -0.00134 0.02004 0.00341 0.00263 97 5PZ -0.00055 -0.00279 0.01466 0.00496 0.00113 98 6PX 0.00256 -0.00039 -0.00096 -0.00361 -0.00075 99 6PY 0.00720 -0.00235 0.00020 -0.00045 -0.00030 100 6PZ 0.00114 -0.00284 0.00132 0.00193 0.00407 101 7D 0 -0.00014 0.00003 0.00034 0.00004 0.00002 102 7D+1 -0.00010 0.00001 0.00120 0.00022 -0.00001 103 7D-1 0.00004 0.00006 -0.00160 -0.00027 -0.00003 104 7D+2 0.00016 -0.00002 0.00055 0.00007 0.00003 105 7D-2 -0.00032 0.00002 0.00174 0.00029 -0.00001 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-0.01393 -0.01606 -0.01178 -0.00490 56 6PZ -0.00167 -0.01484 -0.01426 0.00821 0.00727 57 7D 0 -0.00018 -0.00218 0.00685 -0.00105 -0.01163 58 7D+1 -0.00005 0.00013 0.00030 0.00060 -0.00204 59 7D-1 0.00007 -0.00016 -0.00056 -0.00028 0.00319 60 7D+2 -0.00006 -0.00070 0.00073 -0.00080 -0.00360 61 7D-2 -0.00019 -0.00342 0.01042 -0.00143 -0.01775 62 8D 0 0.00104 0.00073 0.00255 -0.00048 -0.00431 63 8D+1 0.00041 -0.00036 0.00058 0.00011 -0.00143 64 8D-1 -0.00053 0.00018 -0.00096 -0.00026 0.00241 65 8D+2 0.00029 0.00047 -0.00010 -0.00060 -0.00105 66 8D-2 0.00072 -0.00008 0.00355 -0.00036 -0.00505 67 4 Cu 1S 0.00115 -0.01101 0.01013 -0.00001 -0.00513 68 2S 0.01239 0.08018 -0.10310 0.00007 0.15867 69 3S -0.10764 -0.21695 0.07533 0.00079 -0.08408 70 4PX -0.00002 -0.00977 0.00715 -0.00732 -0.01619 71 4PY 0.00172 0.02613 -0.03105 0.00141 0.02737 72 4PZ -0.00046 -0.01999 0.01769 0.00538 -0.02905 73 5PX 0.00496 0.00212 -0.00653 -0.00066 0.03058 74 5PY -0.02863 -0.02655 0.03050 -0.00058 -0.04983 75 5PZ 0.01359 0.00972 -0.01585 -0.00002 0.05507 76 6PX 0.00016 0.03351 0.03701 0.04457 0.02902 77 6PY -0.03083 0.08791 0.11077 -0.01132 -0.06628 78 6PZ 0.00787 0.02561 0.02718 -0.03555 0.05688 79 7D 0 -0.00066 0.00097 0.02286 -0.04256 0.03982 80 7D+1 -0.00057 0.02347 -0.02268 0.02132 0.09365 81 7D-1 0.00014 -0.06265 0.11358 0.02550 -0.16806 82 7D+2 -0.00070 -0.03481 0.09179 0.00815 -0.05045 83 7D-2 0.00030 -0.03077 0.04731 -0.04651 -0.09497 84 8D 0 0.00222 -0.00001 0.00709 -0.01172 0.01081 85 8D+1 0.00780 0.00973 -0.00465 0.00587 0.02819 86 8D-1 -0.01711 -0.02824 0.02839 0.00680 -0.05567 87 8D+2 -0.00711 -0.01587 0.02464 0.00236 -0.01886 88 8D-2 -0.00911 -0.01385 0.01130 -0.01247 -0.03095 89 5 Cu 1S 0.00112 -0.00007 0.00131 -0.00040 -0.00106 90 2S 0.00145 0.00682 -0.01343 0.00480 0.01839 91 3S 0.01826 0.07587 0.00366 0.00860 -0.02205 92 4PX 0.00001 0.00065 -0.00126 -0.00023 0.00183 93 4PY 0.00004 -0.00016 0.00063 0.00061 -0.00242 94 4PZ 0.00006 -0.00233 0.00364 -0.00154 -0.00411 95 5PX -0.00347 -0.00807 -0.00085 -0.00227 0.00445 96 5PY 0.00359 0.00650 0.00098 0.00341 -0.00268 97 5PZ 0.00335 0.01601 -0.00343 0.00770 0.00294 98 6PX 0.00018 -0.00815 -0.00476 -0.01151 -0.00347 99 6PY 0.00723 -0.01724 -0.02334 0.00385 0.00852 100 6PZ 0.00334 0.03459 0.01281 -0.00438 -0.01815 101 7D 0 0.00008 0.00325 -0.00610 0.00355 0.00550 102 7D+1 0.00007 -0.00103 0.00336 0.00167 -0.00487 103 7D-1 -0.00022 -0.00018 0.00044 -0.00338 0.00568 104 7D+2 -0.00004 -0.00016 0.00107 0.00005 -0.00108 105 7D-2 0.00005 -0.00042 0.00155 0.00050 -0.00552 106 8D 0 -0.00037 0.00056 -0.00196 0.00273 0.00139 107 8D+1 -0.00062 -0.00045 0.00061 0.00035 -0.00163 108 8D-1 0.00170 0.00046 0.00080 -0.00141 0.00227 109 8D+2 0.00024 -0.00029 0.00055 -0.00019 -0.00061 110 8D-2 -0.00050 -0.00063 0.00066 -0.00020 -0.00226 111 6 Cu 1S 0.00142 0.00091 0.00089 -0.00001 -0.00157 112 2S 0.00109 0.00471 -0.01289 -0.00003 0.02462 113 3S -0.00741 -0.02003 -0.00090 -0.00043 0.06214 114 4PX 0.00020 -0.00075 0.00228 -0.00001 -0.00444 115 4PY 0.00003 -0.00004 0.00038 0.00000 -0.00087 116 4PZ 0.00028 -0.00105 0.00315 0.00002 -0.00611 117 5PX 0.00019 0.00036 -0.00294 -0.00157 0.01527 118 5PY 0.00050 0.00648 0.00107 0.00026 -0.00892 119 5PZ 0.00010 -0.00085 -0.00427 0.00092 0.02377 120 6PX -0.00093 -0.00027 0.00491 -0.01255 0.00436 121 6PY -0.00175 -0.01578 -0.01353 0.00242 0.00395 122 6PZ -0.00112 0.00397 0.00999 0.00840 0.00515 123 7D 0 0.00011 0.00156 -0.00384 0.00049 0.00905 124 7D+1 0.00012 0.00249 -0.00665 -0.00020 0.01477 125 7D-1 0.00000 -0.00008 -0.00122 0.00032 0.00417 126 7D+2 0.00010 0.00090 -0.00235 -0.00044 0.00648 127 7D-2 -0.00002 -0.00006 -0.00091 -0.00031 0.00259 128 8D 0 -0.00059 -0.00017 -0.00134 0.00075 0.00364 129 8D+1 -0.00037 0.00058 -0.00215 -0.00035 0.00526 130 8D-1 0.00009 0.00092 -0.00119 -0.00004 0.00184 131 8D+2 -0.00068 -0.00036 -0.00122 -0.00039 0.00309 132 8D-2 0.00022 0.00085 -0.00070 0.00027 0.00094 133 7 Cu 1S 0.00103 -0.00014 0.00133 0.00039 -0.00100 134 2S 0.00135 0.00688 -0.01395 -0.00488 0.01825 135 3S 0.01881 0.07585 0.00294 -0.01059 -0.02409 136 4PX 0.00003 -0.00244 0.00402 0.00126 -0.00481 137 4PY 0.00005 0.00034 -0.00023 -0.00074 -0.00144 138 4PZ 0.00001 -0.00022 0.00008 0.00086 0.00064 139 5PX 0.00505 0.01848 -0.00344 -0.00914 -0.00001 140 5PY 0.00235 0.00213 0.00119 -0.00162 -0.00198 141 5PZ -0.00261 -0.00269 -0.00216 -0.00017 0.00541 142 6PX 0.00450 0.03113 0.00797 -0.00147 -0.01417 143 6PY 0.00682 -0.02298 -0.02469 0.00019 0.00984 144 6PZ 0.00010 0.00764 0.00352 0.01257 -0.01091 145 7D 0 -0.00001 -0.00163 0.00425 -0.00008 -0.00442 146 7D+1 0.00014 0.00108 -0.00117 -0.00362 -0.00193 147 7D-1 -0.00006 -0.00072 0.00229 0.00118 -0.00326 148 7D+2 -0.00006 0.00267 -0.00518 -0.00103 0.00797 149 7D-2 -0.00021 -0.00105 0.00223 0.00335 0.00436 150 8D 0 -0.00010 -0.00053 0.00122 0.00066 -0.00142 151 8D+1 -0.00099 -0.00010 -0.00087 -0.00193 -0.00099 152 8D-1 0.00030 -0.00051 0.00127 0.00102 -0.00133 153 8D+2 0.00069 0.00068 -0.00138 -0.00146 0.00240 154 8D-2 0.00151 0.00037 0.00116 0.00164 0.00210 155 8 C 1S -0.11641 -0.16116 0.03651 -0.00002 -0.08073 156 2S 0.24093 0.38164 -0.06001 0.00009 0.15509 157 3S 0.06137 0.29223 -0.13402 -0.00032 0.22629 158 4PX 0.03050 -0.01993 0.24504 0.31880 0.05485 159 4PY -0.22287 -0.04471 -0.09147 -0.06015 0.44742 160 4PZ 0.09856 -0.01556 0.35594 -0.23505 -0.04022 161 5PX -0.00442 -0.01399 0.03459 0.05301 0.01639 162 5PY 0.04594 0.06776 0.01491 -0.00979 0.02379 163 5PZ -0.01762 -0.03648 0.04271 -0.03886 0.01606 164 9 O 1S -0.21141 0.12606 0.02126 -0.00001 -0.02036 165 2S 0.46530 -0.28473 -0.03998 0.00000 0.03005 166 3S 0.31256 -0.37893 -0.10195 0.00018 0.12591 167 4PX -0.02992 -0.07135 0.27558 0.49669 0.24847 168 4PY 0.20693 0.38823 0.41498 -0.09402 -0.15903 169 4PZ -0.09368 -0.19642 0.26734 -0.36600 0.37824 170 5PX 0.00170 -0.01834 0.10894 0.19066 0.09194 171 5PY -0.01524 0.09524 0.12016 -0.03600 0.00220 172 5PZ 0.00617 -0.04937 0.11698 -0.14057 0.12435 36 37 38 39 40 O O O O O EIGENVALUES -- -0.35223 -0.33911 -0.33818 -0.32603 -0.32451 1 1 Cu 1S -0.01003 0.00352 -0.00023 -0.00005 0.00216 2 2S 0.11603 -0.11533 0.00652 0.00027 -0.00364 3 3S 0.01586 -0.07926 0.00413 -0.00254 0.10022 4 4PX 0.01410 -0.01486 -0.00240 -0.00678 -0.00133 5 4PY 0.01367 -0.01661 0.00140 0.00104 0.00159 6 4PZ 0.01714 -0.01733 0.00323 0.00475 -0.00166 7 5PX -0.00915 0.03676 -0.01062 0.01120 -0.00633 8 5PY -0.00201 0.04355 -0.00092 -0.00104 -0.02547 9 5PZ -0.01268 0.04402 0.00367 -0.00745 -0.00437 10 6PX -0.00204 -0.01701 0.00837 -0.02469 -0.00461 11 6PY -0.00658 -0.04721 0.00084 0.00391 -0.00648 12 6PZ -0.00100 -0.01464 -0.00435 0.01714 -0.00400 13 7D 0 0.01702 -0.00003 0.03078 0.04391 -0.01760 14 7D+1 0.07309 -0.10365 -0.00489 -0.00887 0.01368 15 7D-1 0.07499 -0.13407 0.02642 0.07792 -0.01543 16 7D+2 0.00220 0.02499 -0.02557 -0.05574 -0.04966 17 7D-2 0.06128 -0.11631 -0.01239 -0.09688 -0.00056 18 8D 0 0.00605 -0.00143 0.01086 0.01486 -0.00640 19 8D+1 0.02535 -0.03941 -0.00170 -0.00260 0.00555 20 8D-1 0.02402 -0.05071 0.00853 0.02945 -0.00575 21 8D+2 0.00040 0.00735 -0.00850 -0.02016 -0.01840 22 8D-2 0.01995 -0.04321 -0.00298 -0.03711 -0.00022 23 2 Cu 1S -0.01367 0.00180 0.00013 0.00211 0.00042 24 2S 0.21812 -0.06056 0.08566 0.02319 -0.02575 25 3S -0.04640 -0.07189 0.18397 0.11442 -0.03779 26 4PX 0.02571 -0.00363 0.00251 -0.00369 0.00600 27 4PY 0.02552 0.00630 0.01836 0.00119 -0.00624 28 4PZ -0.02471 0.02134 -0.00617 -0.00725 0.00305 29 5PX -0.03015 0.02314 -0.04587 0.00415 -0.00546 30 5PY -0.02191 0.02215 -0.04618 -0.02339 0.01080 31 5PZ 0.02337 -0.02118 0.05297 0.02950 -0.00828 32 6PX 0.03361 0.02170 -0.04451 -0.00360 0.01455 33 6PY 0.03112 0.03796 0.03656 -0.02619 -0.00405 34 6PZ -0.03357 0.06164 0.00389 -0.00281 -0.01273 35 7D 0 -0.01161 -0.21862 -0.04140 0.08436 0.00621 36 7D+1 -0.12048 0.09207 0.01831 0.04133 -0.05824 37 7D-1 -0.03543 0.00678 -0.06633 -0.07688 0.04665 38 7D+2 -0.00899 -0.07255 -0.13658 0.00005 0.10603 39 7D-2 0.12653 0.05312 0.05152 -0.05023 0.08401 40 8D 0 -0.00332 -0.07549 -0.01477 0.02929 0.00314 41 8D+1 -0.04378 0.03282 0.00376 0.01542 -0.02203 42 8D-1 -0.01162 0.00224 -0.02336 -0.02632 0.01565 43 8D+2 -0.00520 -0.02546 -0.04590 0.00041 0.03625 44 8D-2 0.04604 0.01720 0.02019 -0.01906 0.02970 45 3 Cu 1S -0.01367 0.00177 -0.00045 -0.00223 0.00025 46 2S 0.21800 -0.06831 -0.07696 -0.02187 -0.02805 47 3S -0.04457 -0.08968 -0.17656 -0.11460 -0.04756 48 4PX -0.02601 0.02222 0.00041 0.00550 0.00005 49 4PY 0.03348 0.00043 -0.01898 -0.00100 -0.00550 50 4PZ 0.01147 0.00339 0.00207 0.00544 0.00788 51 5PX 0.02717 -0.02754 -0.05209 -0.02183 -0.00594 52 5PY -0.03100 0.03514 0.05805 0.02619 0.01272 53 5PZ -0.01635 0.01250 0.01595 -0.01646 -0.01027 54 6PX -0.03502 0.05388 -0.03016 0.00804 -0.01644 55 6PY 0.04152 0.02861 -0.02820 0.02577 0.00296 56 6PZ 0.01441 0.04100 0.04135 -0.00011 0.01012 57 7D 0 -0.09631 0.06307 0.07402 -0.01502 0.01867 58 7D+1 -0.06212 -0.02624 -0.03966 -0.06469 -0.05713 59 7D-1 0.10184 0.03925 0.01630 0.07067 0.13081 60 7D+2 -0.02543 -0.21312 0.15665 -0.04526 0.06249 61 7D-2 -0.08844 0.08166 0.01437 0.06483 -0.01983 62 8D 0 -0.03677 0.02243 0.02643 -0.00624 0.00462 63 8D+1 -0.02163 -0.00826 -0.01184 -0.02275 -0.02032 64 8D-1 0.03682 0.01209 0.00325 0.02573 0.04561 65 8D+2 -0.00914 -0.07377 0.05391 -0.01615 0.02226 66 8D-2 -0.03073 0.02895 0.00683 0.02177 -0.00800 67 4 Cu 1S -0.00633 -0.00024 0.00002 0.00000 0.00061 68 2S 0.17817 -0.01562 0.00155 0.00373 -0.06924 69 3S 0.07625 0.00056 0.00024 0.00080 -0.00898 70 4PX 0.02676 0.00308 -0.01458 0.00337 0.00023 71 4PY -0.04685 0.02187 0.00073 -0.00045 -0.00022 72 4PZ 0.04831 0.00117 0.01051 -0.00224 0.00039 73 5PX -0.06437 0.01363 -0.01091 0.01238 -0.00164 74 5PY 0.12457 -0.01959 0.00356 -0.00067 -0.02953 75 5PZ -0.11922 0.02492 0.00458 -0.00953 0.00290 76 6PX 0.01436 -0.00589 -0.00757 0.05800 -0.02515 77 6PY 0.01368 -0.00318 0.00077 -0.00737 -0.03797 78 6PZ 0.01670 -0.00798 0.00560 -0.03888 -0.03069 79 7D 0 0.04599 0.39622 0.47866 -0.24960 0.10102 80 7D+1 0.03075 0.15508 -0.24959 0.01988 0.68375 81 7D-1 0.02213 0.02075 -0.14067 -0.42579 0.06095 82 7D+2 0.06741 0.49621 -0.22439 0.32484 -0.24757 83 7D-2 -0.00437 -0.10519 0.33247 0.52620 0.22836 84 8D 0 0.01604 0.12921 0.15478 -0.07762 0.03275 85 8D+1 0.01360 0.05049 -0.08092 0.00535 0.21819 86 8D-1 0.00100 0.00836 -0.04689 -0.13592 0.01742 87 8D+2 0.01928 0.16249 -0.07212 0.10262 -0.07893 88 8D-2 -0.00466 -0.03330 0.10919 0.16872 0.07135 89 5 Cu 1S -0.01025 -0.00081 -0.00279 -0.00150 -0.00170 90 2S 0.12606 0.03887 0.07867 -0.04533 -0.04861 91 3S 0.03729 0.02656 0.05158 -0.13587 -0.11919 92 4PX 0.01638 0.00705 0.00924 -0.00638 0.00439 93 4PY -0.02031 -0.00591 -0.01527 0.00057 0.00632 94 4PZ -0.01336 -0.00538 -0.01009 0.00852 0.01002 95 5PX -0.01457 -0.00717 -0.03707 0.02415 0.00481 96 5PY 0.01917 0.02913 0.03527 -0.01519 -0.02208 97 5PZ 0.01063 0.01895 0.02760 -0.03914 -0.03454 98 6PX -0.00160 0.00316 0.02410 -0.01518 0.02570 99 6PY -0.01226 -0.01834 -0.01557 -0.01747 0.00357 100 6PZ 0.00637 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-0.00163 0.05914 120 6PX -0.02837 -0.00056 -0.04515 0.00854 0.00986 121 6PY -0.00558 0.05725 0.00430 -0.00059 -0.00804 122 6PZ -0.03937 -0.00775 0.03180 -0.00651 0.01604 123 7D 0 0.06929 0.04157 -0.18579 0.08908 0.02467 124 7D+1 0.09909 0.04051 0.07198 -0.04067 0.06686 125 7D-1 0.09078 -0.02966 -0.03286 0.00077 -0.02110 126 7D+2 0.07554 0.05705 0.10858 -0.04666 -0.01393 127 7D-2 0.05249 -0.03217 0.00187 0.02007 -0.00258 128 8D 0 0.02535 0.01581 -0.06352 0.03101 0.00973 129 8D+1 0.03430 0.01715 0.02437 -0.01421 0.02504 130 8D-1 0.03274 -0.00756 -0.01141 0.00051 -0.00785 131 8D+2 0.02875 0.02076 0.03700 -0.01640 -0.00433 132 8D-2 0.01829 -0.00917 0.00059 0.00671 -0.00125 133 7 Cu 1S -0.01025 -0.00056 0.00281 0.00158 -0.00156 134 2S 0.12624 0.03047 -0.08073 0.05019 -0.04651 135 3S 0.03788 0.02040 -0.05244 0.14441 -0.11049 136 4PX -0.02168 -0.00673 0.01584 -0.01098 0.00867 137 4PY -0.01460 -0.00239 0.01168 0.00157 0.00586 138 4PZ 0.01349 0.00472 -0.00772 0.00272 0.00676 139 5PX 0.01872 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124 7D+1 -0.06811 -0.26082 -0.09941 0.21560 0.13239 125 7D-1 -0.18637 -0.02845 0.17984 -0.12256 -0.19121 126 7D+2 0.01819 0.17111 -0.22590 -0.15016 0.18735 127 7D-2 -0.14760 -0.09686 -0.17975 -0.01383 -0.17966 128 8D 0 0.00455 0.00008 0.09557 0.00336 0.06578 129 8D+1 -0.02483 -0.08918 -0.03292 0.07124 0.04183 130 8D-1 -0.06572 -0.00912 0.06090 -0.04256 -0.06319 131 8D+2 0.00388 0.06054 -0.07552 -0.05301 0.06239 132 8D-2 -0.05135 -0.03332 -0.06132 -0.00500 -0.05973 133 7 Cu 1S 0.00103 0.00366 -0.00156 0.00028 0.00048 134 2S 0.08159 0.03997 0.03924 -0.02500 -0.03047 135 3S 0.10458 0.13708 0.00783 -0.01526 -0.03297 136 4PX -0.01357 0.00343 -0.00239 0.00063 -0.00085 137 4PY 0.00065 -0.01034 -0.00984 0.00268 0.00203 138 4PZ 0.00335 0.00805 0.00593 -0.00910 -0.00186 139 5PX 0.04079 0.01274 0.01695 -0.00949 -0.01147 140 5PY 0.01150 0.04160 0.01769 0.00171 0.00046 141 5PZ -0.01595 -0.03258 -0.00356 0.02048 -0.00290 142 6PX 0.00016 0.03611 -0.03147 0.01552 -0.02213 143 6PY 0.01363 -0.00260 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0.00148 -0.00289 -0.00288 -0.02625 10 6PX -0.00609 -0.00650 -0.00743 -0.00432 0.00926 11 6PY 0.02458 0.01826 0.00059 0.00121 -0.02125 12 6PZ -0.01595 -0.01053 0.00599 0.00246 0.01815 13 7D 0 0.22861 -0.20250 0.13023 -0.23982 0.05596 14 7D+1 -0.07856 0.08613 -0.04543 0.09749 -0.05627 15 7D-1 0.17349 0.00361 0.06883 -0.06160 0.07896 16 7D+2 0.01208 0.25383 -0.10233 0.14533 0.18041 17 7D-2 0.00572 0.07602 -0.06612 0.01931 -0.00290 18 8D 0 0.07563 -0.06929 0.04341 -0.07936 0.01841 19 8D+1 -0.02819 0.02782 -0.01489 0.03237 -0.02001 20 8D-1 0.06101 0.00311 0.02408 -0.02013 0.02642 21 8D+2 0.00369 0.08526 -0.03462 0.04795 0.06056 22 8D-2 0.00373 0.02681 -0.02374 0.00602 -0.00120 23 2 Cu 1S 0.00022 -0.00269 -0.00073 0.00073 -0.00067 24 2S 0.00833 -0.04380 -0.02004 -0.03699 0.03996 25 3S 0.01444 -0.13047 -0.04515 0.03310 0.02560 26 4PX -0.00043 -0.00014 0.00056 0.00577 -0.00187 27 4PY -0.00520 -0.00028 -0.00899 -0.00605 -0.00078 28 4PZ -0.00590 0.00301 -0.00589 0.00450 -0.00945 29 5PX 0.00049 0.01746 0.00448 -0.01677 0.00630 30 5PY 0.00470 0.00236 0.03697 0.00314 -0.01921 31 5PZ 0.01092 -0.01657 0.02394 -0.02251 0.01137 32 6PX 0.00076 0.00939 0.00300 0.01696 -0.01156 33 6PY -0.06616 0.03211 -0.01773 -0.01716 0.00997 34 6PZ -0.05522 -0.01445 -0.02983 0.02013 -0.00742 35 7D 0 0.43086 -0.02420 0.21031 -0.13172 0.11152 36 7D+1 0.23611 -0.07512 0.03971 -0.00134 0.31805 37 7D-1 0.05194 -0.11135 -0.03968 -0.19123 0.07159 38 7D+2 0.22569 0.02725 0.15891 0.26697 -0.08640 39 7D-2 0.19588 0.09478 0.13950 0.25648 0.05080 40 8D 0 0.14340 -0.00787 0.06782 -0.04300 0.03437 41 8D+1 0.07882 -0.02511 0.01240 0.00040 0.10356 42 8D-1 0.01713 -0.03834 -0.01326 -0.06177 0.02251 43 8D+2 0.07505 0.00945 0.05175 0.08600 -0.02794 44 8D-2 0.06549 0.03254 0.04519 0.08298 0.01667 45 3 Cu 1S -0.00247 0.00106 0.00079 -0.00069 -0.00069 46 2S -0.03807 0.02209 0.02115 0.03553 0.04286 47 3S -0.11740 0.05525 0.04865 -0.03345 0.02549 48 4PX 0.00084 -0.00671 0.00749 -0.00071 -0.00840 49 4PY -0.00174 -0.00368 0.00789 0.00534 0.00056 50 4PZ 0.00032 -0.00192 0.00030 -0.00745 -0.00542 51 5PX -0.01681 0.01628 -0.02782 0.01492 0.00616 52 5PY 0.00755 -0.00029 -0.03381 -0.00201 -0.01925 53 5PZ 0.01045 0.00029 -0.00769 0.02286 0.01409 54 6PX -0.02761 -0.05734 0.03451 -0.00947 -0.00185 55 6PY 0.01670 -0.06406 0.01320 0.01537 0.00898 56 6PZ -0.00292 -0.00833 0.00542 -0.02442 -0.01648 57 7D 0 0.00816 0.11204 -0.04524 -0.19560 0.05225 58 7D+1 0.07556 0.39071 -0.15236 0.05279 0.33535 59 7D-1 0.11530 0.17926 -0.14773 -0.25531 -0.00101 60 7D+2 0.05281 0.31720 -0.17545 0.09820 -0.02807 61 7D-2 -0.16238 -0.05358 0.15819 0.26968 0.13863 62 8D 0 0.00279 0.03730 -0.01478 -0.06368 0.01784 63 8D+1 0.02547 0.13029 -0.04893 0.01660 0.10810 64 8D-1 0.03898 0.05967 -0.04798 -0.08252 -0.00021 65 8D+2 0.01720 0.10550 -0.05679 0.03252 -0.01072 66 8D-2 -0.05562 -0.01749 0.05181 0.08683 0.04474 67 4 Cu 1S -0.00035 -0.00025 0.00001 0.00000 -0.00005 68 2S 0.00190 0.00141 -0.00004 -0.00005 -0.00048 69 3S -0.00501 -0.00422 -0.00015 -0.00120 -0.00231 70 4PX -0.00166 -0.00055 0.00200 0.00658 -0.00268 71 4PY -0.00110 -0.00074 -0.00030 -0.00068 -0.01076 72 4PZ -0.00169 -0.00163 -0.00140 -0.00451 -0.00177 73 5PX 0.00558 -0.00009 -0.00319 -0.00080 -0.00171 74 5PY 0.00032 0.00036 0.00040 -0.00051 0.00507 75 5PZ 0.00400 0.00604 0.00233 0.00119 -0.00449 76 6PX -0.01533 0.06112 0.02002 0.01937 -0.02073 77 6PY 0.03875 0.01820 -0.00401 -0.00237 -0.02441 78 6PZ 0.04185 -0.01973 -0.01496 -0.01262 -0.02642 79 7D 0 0.20138 -0.07640 -0.00352 0.01014 0.05734 80 7D+1 -0.07177 0.03504 0.00002 -0.01844 0.14562 81 7D-1 0.01207 -0.04818 -0.00901 -0.05760 -0.01175 82 7D+2 0.10654 0.21615 0.00309 0.01917 -0.00459 83 7D-2 -0.07785 -0.03470 0.01343 0.08427 0.01318 84 8D 0 0.06156 -0.02319 -0.00076 0.00439 0.01836 85 8D+1 -0.02225 0.01052 -0.00010 -0.00614 0.04375 86 8D-1 0.00383 -0.01386 -0.00275 -0.01716 -0.00455 87 8D+2 0.03320 0.06611 0.00079 0.00494 0.00004 88 8D-2 -0.02319 -0.01110 0.00418 0.02553 0.00277 89 5 Cu 1S -0.00142 0.00072 0.00079 0.00063 -0.00011 90 2S -0.02559 0.01035 -0.00197 -0.07644 -0.04675 91 3S -0.07856 0.03566 0.01766 -0.10912 -0.06665 92 4PX 0.00087 0.00642 0.00756 -0.00519 -0.00699 93 4PY 0.00625 0.00198 0.00545 0.00892 0.00257 94 4PZ 0.00206 0.00077 0.00136 0.00211 0.00066 95 5PX 0.00450 -0.01595 -0.01316 0.02598 0.01224 96 5PY -0.01797 -0.00078 -0.00686 -0.03037 -0.02361 97 5PZ -0.01388 0.00364 -0.00018 -0.00770 -0.00508 98 6PX 0.01077 -0.00231 0.00483 -0.00360 0.00478 99 6PY -0.01902 0.01182 0.01581 -0.00118 0.00622 100 6PZ 0.03283 -0.01409 -0.00852 -0.01601 -0.00682 101 7D 0 0.16593 -0.07770 -0.03973 0.13979 0.05931 102 7D+1 0.01798 0.01189 -0.04932 -0.03810 -0.04153 103 7D-1 -0.12210 0.00843 -0.06973 -0.02472 0.07999 104 7D+2 0.14160 0.20175 0.35040 0.08049 -0.24489 105 7D-2 -0.03372 -0.08382 -0.11637 -0.05665 0.10803 106 8D 0 0.05563 -0.02596 -0.01376 0.04722 0.01983 107 8D+1 0.00794 0.00421 -0.01783 -0.01308 -0.01480 108 8D-1 -0.04411 0.00460 -0.02356 -0.00774 0.02712 109 8D+2 0.04689 0.06870 0.11797 0.02621 -0.08082 110 8D-2 -0.01264 -0.02813 -0.03870 -0.01962 0.03636 111 6 Cu 1S 0.00226 0.00163 -0.00006 -0.00001 -0.00041 112 2S 0.03645 0.02707 -0.00105 0.00159 -0.04959 113 3S 0.10767 0.07860 -0.00354 -0.00099 -0.01092 114 4PX 0.00056 -0.00270 -0.00934 0.00619 0.00306 115 4PY -0.00017 0.00042 0.00144 -0.00065 -0.00999 116 4PZ -0.00201 0.00066 0.00664 -0.00459 0.00593 117 5PX 0.01397 0.00287 0.03831 0.00182 -0.01197 118 5PY 0.00890 0.00736 -0.00624 -0.00089 0.02286 119 5PZ 0.00902 0.01204 -0.02757 -0.00067 -0.02159 120 6PX 0.03871 -0.02323 -0.05310 0.00785 0.00374 121 6PY -0.00193 0.00629 0.00800 -0.00017 -0.03334 122 6PZ 0.00551 0.04040 0.03641 -0.00615 0.01202 123 7D 0 0.07157 -0.20419 -0.25067 0.00163 -0.02701 124 7D+1 -0.17858 0.00685 0.13653 -0.04655 0.31138 125 7D-1 -0.12181 0.09873 0.16262 -0.23883 0.14700 126 7D+2 -0.03415 0.02809 0.06275 0.10877 -0.20215 127 7D-2 0.11811 -0.24457 -0.28969 0.31822 0.21685 128 8D 0 0.02359 -0.06850 -0.08240 -0.00074 -0.00956 129 8D+1 -0.06121 0.00131 0.04493 -0.01463 0.10061 130 8D-1 -0.04134 0.03309 0.05349 -0.07799 0.04656 131 8D+2 -0.01100 0.00948 0.02061 0.03626 -0.06684 132 8D-2 0.03937 -0.08259 -0.09524 0.10365 0.06989 133 7 Cu 1S 0.00020 -0.00160 -0.00074 -0.00060 -0.00016 134 2S 0.00176 -0.02672 0.00262 0.07980 -0.04183 135 3S 0.00859 -0.08569 -0.01539 0.11448 -0.05935 136 4PX 0.00001 0.00293 0.00000 -0.00556 0.00301 137 4PY 0.00455 0.00453 -0.00689 -0.00747 0.00050 138 4PZ 0.00553 -0.00132 -0.00687 0.00581 -0.00629 139 5PX 0.00214 -0.01942 -0.00225 0.02231 -0.01167 140 5PY -0.00851 -0.01234 0.01003 0.02477 -0.01811 141 5PZ -0.01160 0.00618 0.01155 -0.02686 0.01152 142 6PX -0.00215 0.02545 0.00590 0.01455 -0.00559 143 6PY 0.00567 -0.02456 -0.01708 -0.00065 0.00769 144 6PZ -0.00043 0.02620 -0.00002 0.00852 0.00206 145 7D 0 0.20141 0.00922 -0.28004 0.00726 -0.25137 146 7D+1 -0.07441 0.10120 0.17442 -0.02116 0.08544 147 7D-1 -0.01081 -0.03889 0.00788 0.03641 0.04298 148 7D+2 0.10126 0.12466 -0.16699 -0.15509 -0.07720 149 7D-2 -0.04826 -0.15483 0.12617 0.06219 0.08438 150 8D 0 0.06861 0.00403 -0.09367 0.00317 -0.08383 151 8D+1 -0.02461 0.03544 0.05970 -0.00702 0.02765 152 8D-1 -0.00355 -0.01578 0.00223 0.01275 0.01513 153 8D+2 0.03454 0.04010 -0.05611 -0.05237 -0.02503 154 8D-2 -0.01546 -0.05404 0.04288 0.02017 0.02796 155 8 C 1S -0.00132 -0.00100 0.00001 -0.00006 0.00323 156 2S 0.00178 0.00131 -0.00001 0.00016 -0.00609 157 3S 0.01003 0.00784 -0.00016 -0.00002 -0.01498 158 4PX 0.00186 0.01092 -0.00100 -0.00772 0.00604 159 4PY 0.00964 0.00539 0.00006 0.00134 -0.00489 160 4PZ 0.01076 0.00086 0.00053 0.00494 0.01036 161 5PX 0.00294 -0.00298 -0.00268 -0.00143 0.00476 162 5PY 0.00074 0.00099 0.00040 0.00008 0.00073 163 5PZ -0.00074 0.00290 0.00194 0.00090 0.00681 164 9 O 1S 0.00009 0.00008 0.00000 0.00003 -0.00086 165 2S 0.00042 0.00032 -0.00001 -0.00011 0.00285 166 3S -0.00215 -0.00187 -0.00001 -0.00012 0.00284 167 4PX -0.00693 -0.01961 0.00289 0.01597 -0.01163 168 4PY -0.01174 -0.00588 -0.00034 -0.00264 0.00185 169 4PZ -0.02333 -0.00614 -0.00162 -0.01008 -0.01793 170 5PX -0.00373 -0.00914 0.00208 0.00850 -0.00675 171 5PY -0.00755 -0.00436 -0.00025 -0.00128 -0.00123 172 5PZ -0.01085 -0.00303 -0.00128 -0.00540 -0.00979 51 52 53 54 55 O O O O O EIGENVALUES -- -0.28470 -0.27919 -0.27850 -0.27206 -0.27045 1 1 Cu 1S 0.00262 0.00001 -0.00229 0.00000 0.00025 2 2S -0.01848 -0.00023 0.02089 0.00016 -0.00638 3 3S 0.07786 0.00072 -0.10614 0.00002 0.01307 4 4PX -0.00109 0.00281 0.00000 0.00259 -0.00004 5 4PY -0.00203 -0.00051 0.00674 -0.00038 -0.00016 6 4PZ -0.00119 -0.00195 -0.00157 -0.00182 -0.00014 7 5PX -0.01328 0.01293 0.01085 -0.01311 -0.00021 8 5PY -0.00085 -0.00221 0.02203 0.00239 -0.01769 9 5PZ -0.01910 -0.00902 0.01002 0.00898 0.00419 10 6PX -0.01053 0.00665 0.01116 0.00856 -0.00348 11 6PY 0.00024 -0.00156 0.01631 -0.00147 0.00323 12 6PZ -0.01529 -0.00437 0.01253 -0.00577 -0.00591 13 7D 0 0.01819 -0.00446 -0.14964 0.01881 -0.01857 14 7D+1 0.08323 -0.02898 -0.00314 0.00769 -0.29070 15 7D-1 -0.14247 -0.19679 0.11161 0.05370 0.16321 16 7D+2 -0.06841 0.09227 -0.20498 -0.04230 0.21390 17 7D-2 -0.06744 0.27231 0.15068 -0.07701 0.02187 18 8D 0 0.00714 -0.00132 -0.04942 0.00591 -0.00699 19 8D+1 0.02968 -0.00976 -0.00092 0.00264 -0.09784 20 8D-1 -0.04941 -0.06546 0.03806 0.01715 0.05384 21 8D+2 -0.02293 0.03059 -0.06740 -0.01356 0.07047 22 8D-2 -0.02361 0.09065 0.05055 -0.02469 0.00709 23 2 Cu 1S 0.00300 -0.00046 0.00072 0.00065 -0.00001 24 2S -0.07349 -0.04045 0.01192 -0.00714 0.00188 25 3S -0.06930 -0.14545 0.06789 -0.01094 0.02913 26 4PX -0.00518 -0.00179 0.00092 0.00336 -0.00229 27 4PY -0.00592 -0.00513 0.00632 -0.00539 0.00307 28 4PZ 0.00342 0.00775 0.00117 0.00236 -0.00201 29 5PX 0.00672 0.02980 -0.01807 -0.02059 0.01152 30 5PY 0.01572 0.01894 -0.03452 0.02976 -0.01849 31 5PZ -0.02013 -0.04297 -0.01319 -0.01589 0.01406 32 6PX 0.00463 0.01427 -0.00853 -0.01415 0.00858 33 6PY 0.00206 0.01747 0.00381 0.00864 -0.01401 34 6PZ -0.00066 -0.01138 0.01909 -0.01454 0.00775 35 7D 0 0.04288 0.04487 0.09140 0.20008 -0.03667 36 7D+1 -0.19992 -0.27168 -0.00912 -0.24562 0.05407 37 7D-1 0.14434 0.26801 -0.12910 -0.16926 0.05785 38 7D+2 -0.07599 0.02917 0.04005 -0.30048 0.19901 39 7D-2 0.29482 0.14606 -0.13951 0.23603 -0.18681 40 8D 0 0.01418 0.01312 0.02920 0.06447 -0.01176 41 8D+1 -0.06693 -0.08640 -0.00368 -0.07848 0.01846 42 8D-1 0.04807 0.08986 -0.04277 -0.05594 0.01910 43 8D+2 -0.02620 0.01000 0.01162 -0.09683 0.06390 44 8D-2 0.09800 0.04598 -0.04402 0.07645 -0.05851 45 3 Cu 1S 0.00303 0.00038 0.00076 -0.00063 -0.00001 46 2S -0.07220 0.04133 0.01293 0.00764 0.00263 47 3S -0.06559 0.14535 0.07330 0.00933 0.03207 48 4PX 0.00350 -0.00672 0.00169 0.00015 -0.00040 49 4PY -0.00705 0.00647 0.00619 0.00475 0.00317 50 4PZ -0.00278 -0.00181 0.00026 -0.00445 -0.00354 51 5PX -0.01678 0.04587 -0.01122 0.00136 0.00508 52 5PY 0.01850 -0.03017 -0.03562 -0.02599 -0.02015 53 5PZ -0.00322 -0.00878 -0.01652 0.02740 0.01963 54 6PX -0.00160 0.01163 0.02110 0.00737 0.00123 55 6PY 0.00253 -0.02103 -0.00204 -0.00674 -0.01459 56 6PZ 0.00340 -0.00668 -0.00219 0.01865 0.01350 57 7D 0 -0.25682 0.20427 0.04270 0.44511 0.24848 58 7D+1 -0.04046 0.16865 0.01597 -0.07292 -0.08486 59 7D-1 0.28486 -0.24399 -0.16686 -0.04126 -0.08079 60 7D+2 0.01447 -0.17267 0.07601 0.04310 0.12728 61 7D-2 0.00791 -0.11129 -0.11421 0.23023 0.07876 62 8D 0 -0.08641 0.06453 0.01233 0.14306 0.08001 63 8D+1 -0.01362 0.05491 0.00510 -0.02422 -0.02617 64 8D-1 0.09451 -0.07925 -0.05377 -0.01319 -0.02458 65 8D+2 0.00448 -0.05601 0.02325 0.01464 0.04043 66 8D-2 0.00279 -0.03960 -0.03796 0.07533 0.02563 67 4 Cu 1S 0.00000 0.00004 -0.00069 -0.00003 0.00026 68 2S 0.00886 -0.00054 0.00899 0.00049 -0.00561 69 3S 0.09246 -0.00079 0.00964 -0.00068 0.00926 70 4PX -0.00471 0.02635 -0.01455 -0.01074 0.00422 71 4PY 0.01721 -0.00384 -0.02186 0.00138 0.00751 72 4PZ -0.01131 -0.01794 -0.01698 0.00725 0.00486 73 5PX -0.02299 -0.11772 0.06171 0.06673 -0.03300 74 5PY -0.01223 0.01607 0.12405 -0.00853 -0.05427 75 5PZ -0.02690 0.08186 0.06580 -0.04484 -0.03875 76 6PX 0.00359 -0.01860 0.00559 -0.01298 -0.00511 77 6PY -0.05797 0.00288 -0.00715 0.00185 -0.00904 78 6PZ 0.01841 0.01179 0.00918 0.00919 -0.00510 79 7D 0 -0.05182 0.15773 0.15267 -0.11082 -0.05052 80 7D+1 -0.12065 -0.08839 0.19418 0.05516 -0.04060 81 7D-1 0.19412 -0.11394 0.09271 0.02972 -0.02265 82 7D+2 0.05234 -0.03829 0.14595 0.04976 -0.05908 83 7D-2 0.11325 0.19560 0.04731 -0.06949 -0.00347 84 8D 0 -0.01544 0.05032 0.04709 -0.03405 -0.01549 85 8D+1 -0.03732 -0.02779 0.05609 0.01708 -0.01232 86 8D-1 0.06180 -0.03406 0.02840 0.01006 -0.00737 87 8D+2 0.01774 -0.01325 0.04743 0.01491 -0.01834 88 8D-2 0.03576 0.05916 0.01318 -0.02254 -0.00132 89 5 Cu 1S 0.00236 0.00301 0.00233 -0.00032 -0.00033 90 2S -0.04308 -0.03222 -0.01760 -0.00875 -0.00729 91 3S -0.02312 0.10206 0.07329 -0.02834 -0.03138 92 4PX -0.00434 -0.00007 -0.00306 0.00078 -0.00378 93 4PY 0.00462 0.00129 -0.00172 0.00266 -0.00124 94 4PZ 0.00048 0.00692 0.00395 0.00014 -0.00019 95 5PX 0.00584 -0.00391 -0.02052 -0.00407 0.01458 96 5PY 0.00107 0.01815 0.00129 -0.00696 0.00314 97 5PZ -0.01478 0.01209 0.00444 -0.01718 -0.01166 98 6PX -0.00644 -0.00777 -0.01429 0.01154 0.00017 99 6PY 0.02260 0.01496 0.01265 -0.00779 -0.00900 100 6PZ -0.02111 0.01887 0.00430 0.00430 -0.00357 101 7D 0 0.20490 -0.12035 0.02271 0.18872 0.06183 102 7D+1 -0.01336 -0.02579 0.30647 0.04874 -0.11426 103 7D-1 -0.13463 -0.24109 0.03441 -0.00029 -0.09589 104 7D+2 -0.09910 -0.00310 -0.13054 -0.09851 -0.06612 105 7D-2 -0.06148 0.01402 -0.03262 -0.20356 -0.15955 106 8D 0 0.06823 -0.03934 0.00807 0.06252 0.02021 107 8D+1 -0.00328 -0.00790 0.10264 0.01543 -0.03745 108 8D-1 -0.04679 -0.08147 0.00978 -0.00021 -0.03137 109 8D+2 -0.03402 -0.00146 -0.04348 -0.03284 -0.02292 110 8D-2 -0.02259 0.00469 -0.01126 -0.06940 -0.05381 111 6 Cu 1S 0.00349 -0.00004 -0.00041 -0.00002 0.00017 112 2S -0.08404 0.00165 -0.04668 0.00068 -0.02115 113 3S -0.02841 0.00356 -0.19246 -0.00067 -0.03250 114 4PX 0.00467 -0.00063 0.00592 0.00162 0.00118 115 4PY -0.00118 0.00014 -0.00303 -0.00011 -0.00715 116 4PZ 0.00679 0.00010 0.00922 -0.00122 0.00347 117 5PX -0.01186 0.01511 -0.03676 -0.00302 -0.00957 118 5PY 0.01374 -0.00236 -0.00511 -0.00033 0.03610 119 5PZ -0.01965 -0.00888 -0.05179 0.00250 -0.02301 120 6PX 0.00384 -0.00277 -0.01925 0.01579 -0.00751 121 6PY -0.00809 0.00054 -0.00833 -0.00303 0.02486 122 6PZ 0.00742 0.00244 -0.02517 -0.01083 -0.01791 123 7D 0 0.11725 0.12699 0.00011 0.08445 0.32110 124 7D+1 0.13739 -0.04828 -0.19814 -0.04472 0.18542 125 7D-1 0.22929 0.03075 0.31581 0.02456 0.03302 126 7D+2 0.16919 -0.09167 0.22845 -0.07228 0.40294 127 7D-2 0.12610 -0.02324 0.13420 -0.00764 -0.08728 128 8D 0 0.04009 0.03976 -0.00161 0.02687 0.10368 129 8D+1 0.04477 -0.01496 -0.06788 -0.01443 0.06047 130 8D-1 0.07586 0.00995 0.10325 0.00717 0.01041 131 8D+2 0.05862 -0.02903 0.07408 -0.02280 0.12966 132 8D-2 0.04082 -0.00793 0.04373 -0.00150 -0.02811 133 7 Cu 1S 0.00228 -0.00317 0.00225 0.00035 -0.00032 134 2S -0.04194 0.03384 -0.01711 0.00990 -0.00716 135 3S -0.02665 -0.10488 0.06943 0.03209 -0.03087 136 4PX 0.00252 -0.00692 0.00412 -0.00048 0.00076 137 4PY 0.00353 -0.00027 -0.00277 -0.00268 -0.00210 138 4PZ -0.00457 -0.00203 -0.00133 -0.00016 -0.00352 139 5PX -0.01586 -0.01595 0.01001 0.01713 -0.01403 140 5PY 0.00385 -0.01544 -0.00408 0.00499 0.00761 141 5PZ 0.00028 0.00270 -0.01766 0.00782 0.00962 142 6PX -0.01362 -0.02331 0.01045 0.00193 -0.00529 143 6PY 0.02314 -0.01075 0.00825 0.00661 -0.00810 144 6PZ -0.01633 0.00369 -0.01323 -0.01345 -0.00046 145 7D 0 -0.12054 -0.03992 0.06975 0.06220 -0.08940 146 7D+1 0.12674 0.05470 0.27058 -0.11338 -0.07753 147 7D-1 -0.14885 0.07080 -0.07567 0.23488 -0.17680 148 7D+2 0.08201 0.15987 -0.09905 -0.13375 0.04597 149 7D-2 -0.12122 0.19215 0.14336 -0.04748 -0.07032 150 8D 0 -0.03959 -0.01326 0.02363 0.02073 -0.02988 151 8D+1 0.04297 0.01703 0.09080 -0.03665 -0.02548 152 8D-1 -0.05251 0.02433 -0.02620 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-0.01719 -0.02119 0.01024 0.00894 56 57 58 59 60 O O O O O EIGENVALUES -- -0.26980 -0.26618 -0.26592 -0.26482 -0.26233 1 1 Cu 1S -0.00003 -0.00007 -0.00203 0.00172 -0.00001 2 2S 0.00045 0.00051 0.01872 -0.05920 0.00103 3 3S -0.00162 -0.00257 -0.07130 -0.01712 0.00248 4 4PX -0.00325 -0.00026 0.00115 -0.00528 -0.00236 5 4PY 0.00052 0.00014 0.00288 -0.00585 0.00050 6 4PZ 0.00231 0.00023 0.00093 -0.00617 0.00184 7 5PX -0.00316 0.01705 0.01101 0.01287 0.02250 8 5PY 0.00073 -0.00268 -0.00402 0.02015 -0.00433 9 5PZ 0.00263 -0.01089 0.01804 0.01336 -0.01666 10 6PX -0.01422 -0.01112 -0.00475 0.01147 0.03097 11 6PY 0.00239 0.00179 0.00557 0.00970 -0.00532 12 6PZ 0.01016 0.00750 -0.00961 0.01309 -0.02172 13 7D 0 0.21390 -0.23839 0.20717 -0.03405 -0.03778 14 7D+1 -0.12213 0.14249 0.35882 0.35812 -0.02356 15 7D-1 -0.22904 0.08104 -0.26985 0.15589 -0.25706 16 7D+2 -0.01284 0.08599 -0.00661 -0.24809 0.13046 17 7D-2 0.37241 -0.20266 -0.14078 0.23945 0.33367 18 8D 0 0.07086 -0.07884 0.06914 -0.01199 -0.01249 19 8D+1 -0.04052 0.04710 0.11758 0.11696 -0.00750 20 8D-1 -0.07653 0.02689 -0.08971 0.05173 -0.08310 21 8D+2 -0.00395 0.02846 -0.00057 -0.08220 0.04229 22 8D-2 0.12428 -0.06722 -0.04753 0.07914 0.10777 23 2 Cu 1S 0.00003 -0.00223 -0.00105 0.00035 0.00013 24 2S -0.00016 -0.00504 -0.00790 -0.02156 -0.01940 25 3S -0.01252 -0.10550 -0.03601 0.00861 0.02035 26 4PX -0.00109 0.00459 0.00693 0.01000 0.00854 27 4PY -0.01019 0.00618 -0.00988 0.00278 -0.00286 28 4PZ -0.00925 0.00463 -0.00991 0.00589 0.00194 29 5PX 0.00540 -0.00471 -0.02075 -0.03780 -0.04404 30 5PY 0.06137 -0.01714 0.04580 -0.01027 0.00726 31 5PZ 0.05409 -0.02733 0.04039 -0.02440 -0.00912 32 6PX 0.00519 0.01628 0.00331 -0.01174 -0.03623 33 6PY 0.04978 0.00526 0.00264 0.00283 0.00355 34 6PZ 0.04881 -0.00842 0.00245 0.00387 -0.01029 35 7D 0 -0.14036 -0.02787 -0.02185 -0.04933 0.09800 36 7D+1 0.14963 0.11081 0.13826 0.09786 0.21183 37 7D-1 0.00012 0.06783 0.00837 -0.00525 -0.09997 38 7D+2 -0.04995 0.03507 0.06199 0.03727 -0.06268 39 7D-2 0.14368 -0.11275 -0.10012 -0.06563 -0.22304 40 8D 0 -0.04577 -0.00797 -0.00828 -0.01499 0.03200 41 8D+1 0.04906 0.03616 0.04324 0.03005 0.06739 42 8D-1 0.00047 0.02297 0.00347 -0.00046 -0.03083 43 8D+2 -0.01642 0.01132 0.01840 0.01177 -0.02162 44 8D-2 0.04698 -0.03584 -0.03212 -0.02063 -0.06855 45 3 Cu 1S -0.00004 0.00213 -0.00124 0.00034 -0.00018 46 2S 0.00028 0.00414 -0.00767 -0.02079 0.02180 47 3S 0.01304 0.10118 -0.04439 0.00694 -0.02133 48 4PX 0.00997 -0.00521 -0.01300 0.00294 0.00154 49 4PY 0.00861 -0.00684 -0.00618 0.00398 0.00126 50 4PZ 0.00285 -0.00442 0.00462 0.01072 -0.00896 51 5PX -0.05956 0.03170 0.05104 -0.01331 -0.00748 52 5PY -0.05226 0.01683 0.03320 -0.01431 0.00120 53 5PZ -0.01554 0.00985 -0.01181 -0.04080 0.04461 54 6PX -0.05347 0.01204 0.00116 0.00748 -0.00299 55 6PY -0.04231 -0.00898 0.00384 0.00010 0.00304 56 6PZ -0.01525 -0.01136 0.00529 -0.00902 0.03702 57 7D 0 -0.06324 -0.10407 0.16487 0.11057 -0.10632 58 7D+1 -0.07670 -0.02140 0.05331 0.01515 -0.18047 59 7D-1 -0.11102 0.06043 -0.07330 -0.04176 0.26381 60 7D+2 0.20083 -0.01963 0.00472 -0.02883 -0.01244 61 7D-2 -0.04189 -0.10753 0.06431 0.03690 -0.02114 62 8D 0 -0.02061 -0.03346 0.05154 0.03415 -0.03182 63 8D+1 -0.02532 -0.00796 0.01601 0.00438 -0.05888 64 8D-1 -0.03648 0.01876 -0.02349 -0.01271 0.08208 65 8D+2 0.06552 -0.00722 0.00053 -0.00807 -0.00341 66 8D-2 -0.01412 -0.03526 0.02177 0.01233 -0.00719 67 4 Cu 1S 0.00000 0.00005 0.00080 0.00071 -0.00002 68 2S 0.00006 -0.00037 -0.00674 -0.01634 0.00065 69 3S 0.00012 0.00273 0.04764 0.09117 -0.00169 70 4PX 0.00030 0.00139 0.00112 0.00067 0.00366 71 4PY -0.00014 -0.00013 0.00128 0.00189 -0.00068 72 4PZ -0.00028 -0.00083 0.00131 0.00034 -0.00236 73 5PX -0.00258 0.00146 -0.00778 -0.01533 -0.01801 74 5PY 0.00099 -0.00007 0.00559 0.01844 0.00199 75 5PZ 0.00238 -0.00197 -0.01179 -0.02496 0.01296 76 6PX -0.00817 0.05267 0.02949 -0.02135 -0.04793 77 6PY 0.00202 -0.00561 0.05929 -0.04873 0.00671 78 6PZ 0.00642 -0.03527 0.03529 -0.01757 0.03298 79 7D 0 -0.00207 0.12488 -0.06637 0.03041 -0.05564 80 7D+1 0.00044 -0.05416 0.03879 -0.01337 0.01914 81 7D-1 -0.01479 0.00251 -0.00960 -0.05686 -0.03553 82 7D+2 0.00807 -0.07377 -0.12398 0.04446 0.04504 83 7D-2 0.02143 0.02983 0.03712 -0.05520 0.03299 84 8D 0 -0.00026 0.03661 -0.01943 0.00891 -0.01556 85 8D+1 -0.00001 -0.01597 0.01044 -0.00322 0.00534 86 8D-1 -0.00416 0.00019 -0.00371 -0.01630 -0.01025 87 8D+2 0.00213 -0.02142 -0.03600 0.01264 0.01269 88 8D-2 0.00610 0.00938 0.00996 -0.01573 0.00959 89 5 Cu 1S 0.00031 -0.00199 0.00148 -0.00005 0.00117 90 2S -0.00409 0.03076 -0.03496 -0.02483 -0.02658 91 3S 0.02293 -0.02771 0.00390 -0.05504 0.00182 92 4PX 0.00258 0.00338 -0.00314 -0.00253 -0.00445 93 4PY 0.00200 -0.00307 0.00330 0.00289 0.00299 94 4PZ 0.00060 -0.00256 0.00280 0.00153 0.00192 95 5PX -0.00046 0.00751 0.01575 0.01187 0.02209 96 5PY 0.00767 0.00131 0.00685 -0.01655 -0.00405 97 5PZ 0.00262 0.00856 -0.00911 -0.01182 0.00309 98 6PX 0.01062 -0.01560 -0.00291 0.01345 0.02893 99 6PY 0.01092 0.00223 -0.01718 0.01146 -0.00482 100 6PZ 0.00510 0.00536 -0.00862 -0.01544 0.00792 101 7D 0 0.09403 0.03932 0.15192 0.07190 0.01834 102 7D+1 0.30778 0.38471 0.05357 -0.22536 -0.24191 103 7D-1 0.20298 -0.22928 0.29199 -0.11774 -0.09966 104 7D+2 0.12950 -0.00849 0.19579 -0.16775 -0.02072 105 7D-2 -0.02180 -0.25670 -0.15644 -0.30396 -0.30449 106 8D 0 0.03152 0.01159 0.05127 0.02320 0.00728 107 8D+1 0.10284 0.12819 0.01758 -0.07376 -0.07923 108 8D-1 0.06821 -0.07636 0.09734 -0.03884 -0.03145 109 8D+2 0.04274 -0.00299 0.06452 -0.05484 -0.00690 110 8D-2 -0.00697 -0.08445 -0.05159 -0.09900 -0.09970 111 6 Cu 1S 0.00000 0.00009 0.00216 -0.00070 -0.00003 112 2S 0.00000 0.00001 -0.00453 -0.00661 0.00128 113 3S -0.00062 0.00357 0.07527 -0.03303 -0.00115 114 4PX -0.00747 -0.01416 0.00215 -0.00306 0.00139 115 4PY 0.00125 0.00211 -0.00082 -0.00926 0.00004 116 4PZ 0.00531 0.01005 0.00178 -0.00253 -0.00097 117 5PX 0.05082 0.06245 -0.00377 0.00646 0.00206 118 5PY -0.00826 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-0.00206 138 4PZ -0.00225 -0.00289 -0.00210 -0.00211 0.00403 139 5PX -0.00375 -0.00684 -0.01142 -0.01792 0.00627 140 5PY -0.00690 -0.00080 0.01092 -0.01195 0.00152 141 5PZ 0.00026 -0.00859 0.01110 0.00876 -0.02246 142 6PX -0.00326 -0.01142 -0.00966 -0.01621 0.00390 143 6PY -0.01195 0.00068 -0.01623 0.01596 0.00107 144 6PZ -0.01011 0.01282 -0.00500 0.00454 -0.02995 145 7D 0 -0.21786 -0.26123 0.16161 -0.18749 0.08279 146 7D+1 -0.22546 -0.26829 0.04717 -0.13876 0.22972 147 7D-1 -0.06338 0.33236 -0.00748 -0.35016 0.30591 148 7D+2 -0.11639 0.11112 0.31305 0.06933 -0.12505 149 7D-2 -0.19602 0.06802 0.22568 -0.04687 0.03981 150 8D 0 -0.07229 -0.08724 0.05283 -0.06127 0.02773 151 8D+1 -0.07560 -0.08882 0.01612 -0.04551 0.07458 152 8D-1 -0.02140 0.10976 -0.00221 -0.11426 0.09987 153 8D+2 -0.03874 0.03848 0.10424 0.02222 -0.04222 154 8D-2 -0.06590 0.02254 0.07508 -0.01570 0.01232 155 8 C 1S 0.00001 0.00008 0.00106 0.00010 0.00026 156 2S -0.00001 -0.00003 -0.00147 -0.00250 -0.00048 157 3S -0.00003 -0.00066 -0.00389 0.00628 -0.00179 158 4PX -0.00111 -0.00784 -0.00485 0.00099 -0.00131 159 4PY 0.00024 0.00086 -0.00707 -0.00044 -0.00043 160 4PZ 0.00091 0.00501 -0.00596 0.00166 0.00125 161 5PX -0.00005 0.00034 -0.00281 -0.00475 0.00616 162 5PY -0.00004 0.00016 0.00186 0.01453 -0.00125 163 5PZ 0.00004 -0.00044 -0.00460 -0.01018 -0.00391 164 9 O 1S 0.00000 -0.00006 -0.00069 -0.00033 -0.00002 165 2S 0.00000 0.00006 0.00095 -0.00008 0.00007 166 3S 0.00002 0.00058 0.00622 0.00698 0.00009 167 4PX 0.00227 0.00495 0.00454 -0.00100 0.00305 168 4PY -0.00046 -0.00049 0.00572 0.00188 -0.00008 169 4PZ -0.00178 -0.00311 0.00569 -0.00216 -0.00209 170 5PX 0.00095 0.00135 0.00253 0.00095 0.00041 171 5PY -0.00022 -0.00014 0.00097 0.00171 0.00019 172 5PZ -0.00082 -0.00070 0.00349 0.00079 -0.00035 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26122 -0.26075 -0.25958 -0.25927 -0.25780 1 1 Cu 1S 0.00087 0.00016 -0.00061 0.00005 -0.00001 2 2S -0.03315 -0.07017 -0.03482 0.00112 -0.00135 3 3S -0.02512 -0.15855 -0.07738 0.00181 -0.00143 4 4PX -0.00441 -0.00745 -0.00401 -0.00122 0.00028 5 4PY -0.00406 -0.00820 -0.00003 -0.00005 0.00002 6 4PZ -0.00547 -0.00885 -0.00551 0.00120 -0.00043 7 5PX 0.01727 0.03774 0.02204 0.00353 0.00117 8 5PY 0.00773 0.03855 -0.01506 0.00188 -0.00084 9 5PZ 0.02356 0.04496 0.03409 -0.00473 0.00020 10 6PX 0.01325 0.01263 0.00751 0.00815 0.00018 11 6PY -0.00200 0.02104 0.00496 -0.00095 -0.00025 12 6PZ 0.02012 0.01302 0.00827 -0.00643 0.00034 13 7D 0 0.07419 0.03053 0.24623 0.06211 -0.01302 14 7D+1 0.34184 0.06664 0.04766 -0.05239 -0.01647 15 7D-1 0.12503 0.50428 0.12877 -0.07017 -0.14989 16 7D+2 -0.07246 0.17244 0.39950 -0.03821 0.08670 17 7D-2 0.14297 0.31344 -0.01540 0.13643 0.20447 18 8D 0 0.02376 0.01091 0.08126 0.02122 -0.00635 19 8D+1 0.11178 0.02281 0.01611 -0.01741 -0.00446 20 8D-1 0.04147 0.16394 0.04199 -0.02207 -0.04908 21 8D+2 -0.02434 0.05697 0.13121 -0.01341 0.02948 22 8D-2 0.04740 0.10174 -0.00537 0.04358 0.06633 23 2 Cu 1S 0.00025 0.00242 0.00033 -0.00092 0.00089 24 2S -0.00913 -0.07082 0.02955 0.03072 0.01544 25 3S 0.01255 0.06546 0.04463 -0.00653 0.07040 26 4PX 0.00209 -0.00524 0.00349 0.00090 0.00287 27 4PY 0.00042 -0.00044 -0.00491 -0.00315 0.00642 28 4PZ 0.00105 -0.00156 -0.00132 0.00000 0.01028 29 5PX -0.01245 0.01562 -0.01170 -0.00808 -0.01369 30 5PY 0.00747 -0.00787 0.03003 0.02767 -0.03248 31 5PZ 0.00807 0.03658 0.01711 0.00027 -0.03548 32 6PX -0.01606 0.00523 -0.00292 -0.00502 -0.00241 33 6PY 0.00986 -0.01319 -0.00357 0.00557 -0.00606 34 6PZ 0.00063 0.01623 0.00154 -0.01002 0.00187 35 7D 0 -0.08003 -0.14429 -0.16660 -0.05159 0.30466 36 7D+1 0.14588 -0.07548 -0.03417 0.12042 -0.11716 37 7D-1 -0.03212 0.17402 -0.18623 -0.22481 -0.17998 38 7D+2 -0.07303 -0.01029 -0.14839 -0.17621 0.06827 39 7D-2 -0.04549 0.10583 -0.04774 0.06103 -0.10312 40 8D 0 -0.02531 -0.04627 -0.05287 -0.01589 0.09775 41 8D+1 0.04327 -0.02283 -0.01128 0.03795 -0.03835 42 8D-1 -0.01024 0.05325 -0.05942 -0.07040 -0.05783 43 8D+2 -0.02380 -0.00172 -0.04726 -0.05734 0.02215 44 8D-2 -0.01636 0.03263 -0.01497 0.01925 -0.03403 45 3 Cu 1S 0.00026 0.00237 0.00054 0.00099 -0.00079 46 2S -0.01026 -0.06756 0.02398 -0.03893 -0.01675 47 3S 0.01294 0.06545 0.04895 0.00203 -0.06682 48 4PX 0.00030 0.00025 -0.00305 0.00140 -0.00981 49 4PY 0.00068 -0.00137 -0.00343 0.00330 -0.00559 50 4PZ 0.00241 -0.00547 0.00339 -0.00217 -0.00528 51 5PX 0.01329 0.02747 0.02400 -0.01081 0.03547 52 5PY 0.00333 -0.00813 0.01963 -0.02900 0.02960 53 5PZ -0.01061 0.02879 -0.00774 0.01443 0.02035 54 6PX 0.00786 0.01044 0.00334 0.00658 -0.00077 55 6PY 0.00618 -0.01344 -0.00543 -0.00596 0.00648 56 6PZ -0.01710 0.01299 -0.00034 0.01022 0.00079 57 7D 0 0.07388 -0.04897 -0.04191 0.04136 0.06927 58 7D+1 0.07783 -0.11873 -0.09282 -0.13112 -0.05654 59 7D-1 -0.08345 0.16823 -0.12452 0.12187 0.14512 60 7D+2 -0.12772 -0.07434 -0.19067 0.27471 -0.25751 61 7D-2 0.05850 0.13039 -0.06825 0.14969 0.23774 62 8D 0 0.02168 -0.01330 -0.01345 0.01471 0.02232 63 8D+1 0.02227 -0.03766 -0.02970 -0.04188 -0.01727 64 8D-1 -0.02815 0.05225 -0.03949 0.03887 0.04729 65 8D+2 -0.03950 -0.02384 -0.06065 0.08710 -0.08318 66 8D-2 0.01850 0.03992 -0.02225 0.04644 0.07633 67 4 Cu 1S -0.00031 -0.00015 -0.00027 0.00002 -0.00003 68 2S 0.00248 -0.02693 0.01031 -0.00152 -0.00031 69 3S -0.02355 -0.01123 0.00710 -0.00014 -0.00007 70 4PX 0.00260 -0.00312 0.00959 -0.00759 0.00576 71 4PY 0.00450 0.01520 0.00774 0.00078 -0.00048 72 4PZ 0.00296 -0.00825 0.01357 0.00336 -0.00401 73 5PX -0.00474 0.00382 -0.03471 0.00513 -0.03150 74 5PY -0.02179 -0.01197 -0.04843 0.00340 0.00342 75 5PZ -0.00267 0.00780 -0.04123 0.00202 0.02109 76 6PX -0.01709 0.01173 0.00671 -0.03312 0.00365 77 6PY -0.02943 0.01574 0.01841 0.00415 -0.00075 78 6PZ -0.01911 0.01257 0.01087 0.02280 -0.00269 79 7D 0 0.00786 -0.02794 0.00541 -0.01449 0.05069 80 7D+1 -0.05724 -0.02358 0.17422 -0.00800 -0.00867 81 7D-1 -0.01105 0.12541 0.01763 0.00477 0.08284 82 7D+2 0.04608 0.01171 -0.09712 0.01342 -0.06226 83 7D-2 -0.03033 0.08596 0.06498 -0.00991 -0.09374 84 8D 0 0.00155 -0.00898 0.00046 -0.00482 0.01479 85 8D+1 -0.01703 -0.01009 0.04904 -0.00169 -0.00253 86 8D-1 -0.00343 0.03875 0.00350 0.00351 0.02439 87 8D+2 0.01241 0.00490 -0.02946 0.00357 -0.01821 88 8D-2 -0.00872 0.02593 0.01754 -0.00562 -0.02751 89 5 Cu 1S -0.00100 0.00029 0.00005 -0.00031 -0.00078 90 2S 0.02830 -0.02770 0.04374 0.03401 -0.01089 91 3S 0.03051 -0.03743 0.07835 0.09749 -0.02799 92 4PX 0.00159 -0.00126 0.00599 0.00404 -0.00062 93 4PY -0.00571 0.00422 -0.00485 -0.00630 0.00211 94 4PZ -0.00358 0.00176 -0.00238 -0.00642 -0.00260 95 5PX 0.00389 0.00403 -0.02610 -0.02462 0.00410 96 5PY 0.03125 -0.01522 0.02554 0.03259 -0.01356 97 5PZ 0.01314 -0.00595 0.00018 0.03263 0.01941 98 6PX 0.01219 0.00016 -0.01629 0.00178 -0.00414 99 6PY 0.02657 -0.01446 0.00292 0.00936 -0.01298 100 6PZ 0.00882 -0.00316 0.00450 0.01727 0.00152 101 7D 0 -0.10473 -0.02777 0.31212 0.00519 -0.24248 102 7D+1 -0.05986 0.03448 0.13534 0.03192 0.23025 103 7D-1 -0.24472 0.29887 -0.21837 -0.37449 0.11457 104 7D+2 0.20196 0.06919 -0.01856 0.02117 -0.04536 105 7D-2 0.27550 0.00731 0.00893 0.27578 0.04264 106 8D 0 -0.03455 -0.00884 0.10274 0.00245 -0.08001 107 8D+1 -0.01851 0.01125 0.04464 0.01036 0.07591 108 8D-1 -0.07977 0.09693 -0.07036 -0.12217 0.03792 109 8D+2 0.06571 0.02283 -0.00532 0.00744 -0.01725 110 8D-2 0.08975 0.00197 0.00344 0.09034 0.01405 111 6 Cu 1S -0.00055 0.00119 -0.00303 0.00028 0.00002 112 2S 0.03647 -0.03938 0.02414 -0.00335 -0.00107 113 3S -0.02222 0.03832 -0.13472 0.01181 -0.00039 114 4PX 0.00172 0.00113 -0.00155 -0.00035 0.00315 115 4PY 0.00867 0.00386 0.00051 0.00007 -0.00029 116 4PZ 0.00060 0.00070 -0.00233 0.00058 -0.00229 117 5PX -0.01221 0.00630 -0.01456 -0.01869 -0.01399 118 5PY -0.03956 -0.01026 0.00456 0.00276 0.00135 119 5PZ -0.00816 0.00955 -0.01718 0.01570 0.01030 120 6PX -0.00829 0.00198 -0.01261 -0.00103 -0.00298 121 6PY -0.03816 0.00601 0.00612 0.00039 0.00012 122 6PZ -0.00305 0.00103 -0.01833 0.00287 0.00220 123 7D 0 0.13097 0.00362 -0.10578 -0.12474 -0.18292 124 7D+1 0.13393 -0.02419 -0.12713 0.06385 0.04454 125 7D-1 0.24212 -0.00046 -0.04193 -0.01776 -0.16262 126 7D+2 0.20865 0.00596 -0.06861 0.08243 0.16734 127 7D-2 0.12603 -0.00738 -0.02220 -0.00785 0.19300 128 8D 0 0.04084 0.00098 -0.03374 -0.03902 -0.05926 129 8D+1 0.04317 -0.00774 -0.04289 0.02031 0.01449 130 8D-1 0.07622 -0.00081 -0.01201 -0.00509 -0.05282 131 8D+2 0.06434 0.00155 -0.02012 0.02546 0.05423 132 8D-2 0.04012 -0.00260 -0.00703 -0.00329 0.06264 133 7 Cu 1S -0.00096 0.00024 0.00009 0.00032 0.00078 134 2S 0.02702 -0.02428 0.03606 -0.04236 0.01016 135 3S 0.02928 -0.03035 0.05925 -0.11056 0.02539 136 4PX -0.00471 0.00218 -0.00354 0.00939 0.00204 137 4PY -0.00461 0.00326 -0.00217 0.00509 -0.00220 138 4PZ 0.00087 -0.00086 0.00488 -0.00329 0.00170 139 5PX 0.01635 -0.00643 0.00623 -0.04683 -0.01550 140 5PY 0.02896 -0.01165 0.01454 -0.02581 0.01502 141 5PZ 0.00475 0.00210 -0.02408 0.02019 -0.01213 142 6PX 0.00931 -0.00451 0.00673 -0.01892 -0.00081 143 6PY 0.02694 -0.01325 -0.00267 -0.00783 0.01349 144 6PZ 0.01154 0.00049 -0.01440 -0.00416 0.00160 145 7D 0 0.10328 0.05503 -0.01678 0.00456 -0.15910 146 7D+1 -0.08704 -0.00988 0.27044 -0.15134 -0.06273 147 7D-1 0.21875 0.15404 -0.12637 -0.08658 -0.06798 148 7D+2 -0.10540 0.07906 0.13113 0.17316 0.24272 149 7D-2 -0.32541 0.23309 -0.14997 0.44838 -0.20394 150 8D 0 0.03426 0.01822 -0.00515 0.00142 -0.05076 151 8D+1 -0.02783 -0.00319 0.08894 -0.04983 -0.02114 152 8D-1 0.07119 0.04979 -0.04043 -0.02886 -0.02176 153 8D+2 -0.03494 0.02599 0.04369 0.05562 0.08111 154 8D-2 -0.10569 0.07550 -0.04847 0.14657 -0.06794 155 8 C 1S 0.00043 -0.01859 0.00878 -0.00126 -0.00032 156 2S -0.00045 0.03909 -0.02049 0.00288 0.00062 157 3S -0.00679 0.09393 -0.03669 0.00543 0.00174 158 4PX -0.00112 -0.00701 -0.00187 0.00710 -0.00025 159 4PY -0.00191 0.04909 -0.02792 0.00252 0.00084 160 4PZ -0.00135 -0.02191 0.00268 -0.00578 -0.00031 161 5PX 0.00204 -0.00138 -0.00076 0.00884 -0.00051 162 5PY -0.00222 0.01107 -0.00755 -0.00022 0.00028 163 5PZ 0.00349 -0.00444 -0.00051 -0.00631 0.00029 164 9 O 1S 0.00029 0.00294 -0.00097 0.00014 0.00006 165 2S -0.00048 -0.00906 0.00382 -0.00056 -0.00015 166 3S -0.00246 -0.01053 -0.00008 0.00004 -0.00030 167 4PX 0.00403 0.00220 0.01062 -0.01615 0.00144 168 4PY 0.00211 -0.03321 0.02220 -0.00021 -0.00079 169 4PZ 0.00559 0.01103 0.01265 0.00960 -0.00064 170 5PX 0.00186 0.00087 0.00632 -0.01060 0.00102 171 5PY 0.00224 -0.01402 0.00861 0.00061 -0.00044 172 5PZ 0.00233 0.00438 0.00881 0.00626 -0.00054 66 67 68 69 70 O O O O O EIGENVALUES -- -0.25748 -0.25739 -0.25299 -0.25190 -0.25144 1 1 Cu 1S -0.00001 0.00034 0.00023 0.00000 0.00013 2 2S -0.00147 0.02030 0.03279 -0.00042 0.01262 3 3S 0.00243 -0.01279 0.02553 -0.00041 0.02199 4 4PX 0.00003 0.00091 0.00490 0.00652 0.00319 5 4PY 0.00028 -0.00407 -0.00660 -0.00092 -0.00239 6 4PZ -0.00014 0.00219 0.00835 -0.00480 0.00473 7 5PX -0.00360 0.00149 -0.01470 -0.03518 -0.01112 8 5PY -0.00194 0.03166 0.03460 0.00491 0.01144 9 5PZ 0.00205 -0.00430 -0.02810 0.02530 -0.01661 10 6PX 0.01220 -0.00727 -0.00524 -0.00508 -0.00897 11 6PY -0.00320 0.01548 0.00925 0.00055 0.00751 12 6PZ -0.00702 -0.01600 -0.00925 0.00410 -0.01401 13 7D 0 0.07503 -0.09259 -0.22089 0.37281 -0.11538 14 7D+1 -0.05346 0.07233 -0.16474 -0.14793 -0.25839 15 7D-1 -0.09682 0.03212 0.02311 0.05258 0.08099 16 7D+2 0.01405 -0.19820 -0.25073 -0.21341 -0.00835 17 7D-2 0.13926 0.12031 0.07645 0.02208 0.02913 18 8D 0 0.02351 -0.03033 -0.07271 0.12332 -0.03790 19 8D+1 -0.01711 0.02322 -0.05394 -0.04882 -0.08407 20 8D-1 -0.03223 0.01048 0.00691 0.01827 0.02586 21 8D+2 0.00530 -0.06424 -0.08293 -0.07094 -0.00355 22 8D-2 0.04609 0.03918 0.02480 0.00613 0.00935 23 2 Cu 1S -0.00120 -0.00124 -0.00252 0.00228 -0.00108 24 2S 0.00245 0.01556 0.01664 0.02561 -0.01277 25 3S -0.05999 -0.05898 -0.07089 0.09722 -0.03791 26 4PX -0.00276 -0.00012 0.00159 -0.01111 0.00707 27 4PY 0.00563 0.00212 0.00115 -0.00063 -0.00489 28 4PZ 0.00069 -0.00200 -0.00344 -0.00393 -0.00215 29 5PX 0.01003 0.00714 -0.00198 0.04460 -0.02908 30 5PY -0.00785 0.00562 0.00885 -0.00361 0.01567 31 5PZ -0.00867 0.00497 0.00209 0.02120 0.00267 32 6PX 0.00141 0.00769 0.00005 -0.00324 0.00111 33 6PY 0.00563 -0.00405 0.00518 -0.00994 -0.00274 34 6PZ -0.00814 -0.00612 -0.00746 0.00300 -0.00673 35 7D 0 0.02597 -0.06342 -0.02333 -0.20171 0.03523 36 7D+1 -0.17401 0.05937 0.02285 -0.13738 -0.08068 37 7D-1 0.11744 0.13491 0.20712 -0.21084 0.07807 38 7D+2 0.09443 0.04914 -0.04580 0.26583 -0.20831 39 7D-2 -0.19462 0.05564 -0.03229 -0.02692 -0.16452 40 8D 0 0.00892 -0.02008 -0.00711 -0.06413 0.01211 41 8D+1 -0.05672 0.01876 0.00850 -0.04501 -0.02510 42 8D-1 0.03795 0.04347 0.06693 -0.06728 0.02475 43 8D+2 0.02986 0.01599 -0.01497 0.08542 -0.06645 44 8D-2 -0.06255 0.01825 -0.01145 -0.00699 -0.05291 45 3 Cu 1S 0.00138 -0.00107 -0.00257 -0.00221 -0.00114 46 2S -0.00585 0.01429 0.01624 -0.02532 -0.01309 47 3S 0.06752 -0.05161 -0.07317 -0.09499 -0.03980 48 4PX -0.00219 -0.00225 -0.00353 0.00034 -0.00512 49 4PY -0.00495 0.00116 0.00186 0.00230 -0.00283 50 4PZ 0.00314 -0.00078 0.00023 0.01142 0.00685 51 5PX 0.01120 0.00714 0.00449 -0.00513 0.01423 52 5PY 0.00240 0.00846 0.00860 -0.00256 0.00839 53 5PZ -0.00820 0.00700 -0.00307 -0.04871 -0.02988 54 6PX 0.00833 -0.00743 -0.00572 -0.00142 -0.00728 55 6PY -0.00634 -0.00224 0.00646 0.01080 -0.00137 56 6PZ 0.00130 0.00627 -0.00342 0.00060 -0.00095 57 7D 0 -0.00764 0.06524 -0.02750 -0.19811 -0.18054 58 7D+1 0.19213 0.03123 -0.00115 0.28137 -0.01519 59 7D-1 0.07130 0.13522 0.03074 -0.00971 -0.18076 60 7D+2 -0.18867 -0.05634 0.02819 0.04054 0.01735 61 7D-2 -0.10031 0.11328 0.21584 0.22424 0.14339 62 8D 0 -0.00143 0.02095 -0.00825 -0.06256 -0.05741 63 8D+1 0.06195 0.01008 0.00052 0.09027 -0.00397 64 8D-1 0.02291 0.04391 0.00886 -0.00471 -0.05826 65 8D+2 -0.06118 -0.01788 0.00930 0.01255 0.00606 66 8D-2 -0.03220 0.03622 0.07020 0.07244 0.04568 67 4 Cu 1S -0.00001 0.00035 0.00187 -0.00003 0.00009 68 2S -0.00098 0.01036 0.00364 0.00009 -0.00239 69 3S 0.00061 -0.00347 0.13561 -0.00094 -0.00175 70 4PX -0.01329 0.00087 0.00797 0.00155 -0.00158 71 4PY 0.00254 -0.00688 -0.00990 -0.00017 -0.00113 72 4PZ 0.00870 0.00484 0.01317 -0.00119 -0.00211 73 5PX 0.04940 0.01537 -0.02382 -0.01658 0.00991 74 5PY -0.00993 0.02913 0.01781 0.00240 0.00973 75 5PZ -0.03583 0.00800 -0.03605 0.01148 0.01248 76 6PX -0.01938 0.01750 -0.00703 -0.02679 0.00915 77 6PY -0.00077 0.03520 0.01984 0.00336 0.01624 78 6PZ 0.01040 0.02030 -0.01417 0.01855 0.00968 79 7D 0 -0.08720 -0.00569 0.04457 0.01557 0.00124 80 7D+1 0.02366 -0.02002 0.12678 -0.00266 -0.02974 81 7D-1 -0.08797 -0.09300 -0.24859 0.03129 -0.00111 82 7D+2 0.08839 -0.00438 -0.09289 -0.02041 0.02073 83 7D-2 0.11199 -0.05361 -0.13694 -0.03517 -0.01102 84 8D 0 -0.02606 -0.00177 0.01344 0.00511 0.00079 85 8D+1 0.00736 -0.00639 0.03953 -0.00101 -0.00911 86 8D-1 -0.02470 -0.02933 -0.07821 0.00937 -0.00015 87 8D+2 0.02580 -0.00173 -0.02999 -0.00633 0.00707 88 8D-2 0.03154 -0.01727 -0.04282 -0.01037 -0.00346 89 5 Cu 1S 0.00042 0.00002 0.00013 -0.00022 -0.00010 90 2S 0.03434 0.02279 0.03330 -0.01011 -0.00935 91 3S 0.06160 0.06450 0.03237 -0.02386 -0.02239 92 4PX 0.00194 0.00386 0.00444 -0.00076 -0.00645 93 4PY -0.00593 -0.00256 -0.00860 0.00543 -0.00090 94 4PZ 0.00083 -0.00478 0.00720 -0.00273 -0.00211 95 5PX -0.01459 -0.02076 -0.01444 -0.00133 0.03465 96 5PY 0.02949 0.01116 0.03373 -0.02339 0.00806 97 5PZ -0.01591 0.02700 -0.04098 0.01351 0.01118 98 6PX -0.00247 -0.01148 -0.00517 0.00881 0.01174 99 6PY 0.00877 -0.00639 0.00753 -0.01724 -0.00440 100 6PZ -0.00183 0.01083 -0.00887 0.00952 0.00463 101 7D 0 0.40449 0.08275 0.35683 -0.08725 -0.03152 102 7D+1 0.01707 0.37867 -0.11506 0.01417 0.05537 103 7D-1 0.01200 -0.11440 0.06054 -0.09810 -0.08998 104 7D+2 -0.03432 -0.03092 0.10558 -0.25095 0.27661 105 7D-2 0.03638 -0.01240 0.16779 -0.16747 -0.25322 106 8D 0 0.13327 0.02697 0.11785 -0.02924 -0.01076 107 8D+1 0.00442 0.12155 -0.03767 0.00481 0.01766 108 8D-1 0.00478 -0.03754 0.01979 -0.03118 -0.02981 109 8D+2 -0.01284 -0.00938 0.03476 -0.08275 0.09196 110 8D-2 0.01295 -0.00358 0.05485 -0.05440 -0.08293 111 6 Cu 1S 0.00010 -0.00095 -0.00244 -0.00002 0.00271 112 2S -0.00495 0.05591 0.01680 -0.00059 0.02010 113 3S -0.00204 0.03743 -0.07193 -0.00142 0.09981 114 4PX 0.00967 0.00084 -0.00166 0.00290 0.00268 115 4PY -0.00080 -0.00809 0.00021 -0.00063 0.01479 116 4PZ -0.00694 0.00087 -0.00225 -0.00203 0.00056 117 5PX -0.05239 -0.00976 -0.00474 -0.00512 -0.00429 118 5PY 0.00472 0.03957 0.00314 0.00157 -0.06593 119 5PZ 0.03883 -0.01151 -0.00845 0.00344 0.00782 120 6PX -0.00624 -0.00189 -0.00361 0.00900 0.00537 121 6PY -0.00131 0.02544 0.00303 -0.00135 -0.00313 122 6PZ 0.00529 -0.00663 -0.00603 -0.00656 0.00810 123 7D 0 -0.35395 0.12579 -0.04054 0.00820 -0.08907 124 7D+1 0.11108 0.36855 -0.18766 0.00728 0.24909 125 7D-1 -0.00596 -0.35294 0.03536 0.08386 0.18967 126 7D+2 0.20276 -0.06177 0.06375 -0.03768 -0.25668 127 7D-2 -0.02167 -0.18577 -0.01536 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0.00196 -0.00006 -0.00039 112 2S -0.00386 0.19381 0.00384 -0.00004 0.06662 113 3S -0.05519 2.78629 -0.39907 0.00824 0.77886 114 4PX 0.00515 -0.00065 -0.00772 -0.03936 0.01951 115 4PY -0.00107 0.01613 -0.02249 0.00636 -0.01103 116 4PZ -0.00355 -0.00449 -0.00465 0.02784 0.03054 117 5PX -0.02420 0.12058 0.00308 0.23452 -0.06754 118 5PY 0.00403 -0.02704 0.05103 -0.03703 0.05696 119 5PZ 0.01217 0.17802 -0.01587 -0.16463 -0.11252 120 6PX -0.12816 0.72729 0.13992 1.32703 -0.09142 121 6PY 0.02011 0.00175 1.88720 -0.21857 -0.33916 122 6PZ 0.06394 1.02603 -0.24914 -0.92722 -0.05683 123 7D 0 -0.00478 0.00585 -0.01218 -0.00650 0.02229 124 7D+1 0.00542 0.00277 -0.00087 0.00611 -0.00071 125 7D-1 0.02202 0.01712 0.01891 0.01869 -0.00248 126 7D+2 -0.00760 0.01301 -0.01363 -0.00475 0.03669 127 7D-2 -0.03212 0.00757 0.01728 -0.02857 -0.01346 128 8D 0 -0.00053 0.00266 -0.00253 -0.00293 0.00685 129 8D+1 0.00187 -0.00123 -0.00131 0.00182 0.00286 130 8D-1 0.01032 0.01027 -0.00070 0.00310 0.00112 131 8D+2 -0.00448 0.00817 -0.00341 0.00024 0.00985 132 8D-2 -0.01473 0.00417 0.00038 -0.00522 -0.00199 133 7 Cu 1S -0.00003 -0.00008 -0.00025 -0.00100 -0.00293 134 2S 0.11838 -0.06347 -0.03638 0.06412 -0.02141 135 3S 1.51729 -0.83102 -0.84700 1.35628 -0.46319 136 4PX -0.00132 -0.00051 -0.01739 0.02436 0.00824 137 4PY 0.01508 0.01202 -0.02076 0.00993 0.01431 138 4PZ -0.00052 0.01989 -0.00401 -0.02446 -0.01595 139 5PX 0.07612 -0.04693 0.03464 -0.06856 -0.09044 140 5PY 0.02116 -0.03940 0.09807 -0.03632 -0.06623 141 5PZ -0.02728 -0.00631 0.03135 0.11995 0.09585 142 6PX 1.09669 -0.58231 0.43664 -0.75488 0.65040 143 6PY 0.26988 0.29293 -1.40283 0.46349 -1.12302 144 6PZ 0.14513 0.50291 -0.30095 -1.31843 0.92914 145 7D 0 -0.01959 -0.03387 0.02496 0.03358 -0.02544 146 7D+1 0.00000 0.03342 0.00384 0.00439 -0.00126 147 7D-1 -0.00086 0.00392 0.01703 -0.03527 -0.00408 148 7D+2 -0.00469 -0.02482 0.03322 -0.01731 0.02965 149 7D-2 0.02702 0.01319 0.00337 -0.00073 -0.01358 150 8D 0 -0.00701 -0.01099 0.00669 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7D-2 -0.00552 0.03782 -0.01312 0.01527 -0.01206 18 8D 0 0.00496 0.00125 -0.00072 0.00632 -0.00128 19 8D+1 0.00138 -0.00102 -0.00639 -0.00324 0.00051 20 8D-1 -0.00134 -0.00376 -0.00628 -0.00169 -0.00021 21 8D+2 0.00695 0.00100 0.00191 -0.00260 0.00072 22 8D-2 -0.00301 0.00556 -0.00592 0.00335 -0.00014 23 2 Cu 1S -0.00067 0.00057 0.00077 0.00223 0.00015 24 2S -0.02343 -0.06423 -0.00584 -0.00222 0.03338 25 3S -0.33845 -1.14423 -0.21145 -0.37140 0.94762 26 4PX -0.00863 -0.00730 0.00533 0.01271 0.00867 27 4PY 0.02253 0.01490 -0.02329 0.04550 0.00632 28 4PZ 0.00652 -0.02919 -0.04664 -0.00602 -0.00368 29 5PX 0.07911 0.10260 0.00146 -0.01221 -0.04122 30 5PY -0.07571 -0.09665 0.19910 -0.24413 -0.05044 31 5PZ 0.01680 0.11192 0.27976 -0.01961 0.03983 32 6PX -0.25169 -0.10957 1.10569 2.14774 -4.54258 33 6PY -0.99945 1.43125 -0.29272 -0.38708 2.48846 34 6PZ -1.27379 -0.32505 0.15853 -0.00911 -0.68509 35 7D 0 -0.01627 0.00274 -0.05438 0.01876 -0.00408 36 7D+1 -0.01605 -0.01219 0.00855 -0.00402 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-1.93218 4.65249 57 7D 0 -0.00573 0.00910 0.00448 -0.00826 -0.01881 58 7D+1 -0.02161 0.00688 -0.01598 -0.00203 0.02719 59 7D-1 0.00690 -0.03280 0.00066 -0.00463 -0.01627 60 7D+2 -0.00413 -0.01437 -0.05403 -0.03226 -0.02571 61 7D-2 0.00924 -0.01881 0.01363 0.00819 0.00786 62 8D 0 -0.00240 0.00123 0.00324 -0.00378 -0.00085 63 8D+1 -0.00290 -0.00106 -0.00167 0.00114 0.00220 64 8D-1 -0.00029 -0.00389 0.00083 0.00007 -0.00222 65 8D+2 0.00032 -0.00179 -0.00878 -0.00561 -0.00479 66 8D-2 0.00296 -0.00405 0.00305 0.00171 0.00121 67 4 Cu 1S 0.00272 0.00012 -0.00054 -0.00006 0.00002 68 2S 0.02132 0.00119 0.00835 0.00073 0.00063 69 3S -0.47111 -0.01542 -0.25382 -0.01555 0.00298 70 4PX -0.02666 -0.04960 -0.02248 -0.04820 -0.01820 71 4PY -0.03278 0.00784 -0.04112 0.00546 0.00246 72 4PZ -0.03181 0.03434 -0.02746 0.03200 0.01233 73 5PX 0.11923 0.27764 0.13113 0.35576 0.09736 74 5PY 0.25047 -0.04100 0.36284 -0.03569 -0.01384 75 5PZ 0.11993 -0.19550 0.13969 -0.24245 -0.06547 76 6PX 2.61080 3.68152 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-0.00128 0.00227 -0.00250 0.00469 -0.01283 46 2S -0.00098 0.00823 -0.04709 0.07368 -0.08796 47 3S 0.20523 -0.22660 -0.84567 1.38427 -1.11228 48 4PX 0.04418 -0.01602 -0.01813 0.02333 -0.00032 49 4PY 0.01607 0.01416 0.02233 -0.04145 -0.03018 50 4PZ 0.00674 -0.00462 -0.02421 0.03684 0.04783 51 5PX -0.30101 0.13664 0.14999 -0.13201 0.01373 52 5PY -0.12553 -0.05795 -0.14242 0.29904 0.43312 53 5PZ -0.05274 0.03346 0.21511 -0.32111 -0.80156 54 6PX 4.05269 -2.71259 -0.10982 1.29986 -0.04018 55 6PY 2.40217 -0.96224 1.03822 -0.76804 0.29063 56 6PZ 0.84082 -0.44305 -0.11716 0.15702 1.09594 57 7D 0 0.00307 0.02597 -0.00824 0.01331 0.05365 58 7D+1 0.04795 0.02507 -0.00328 0.00140 0.01872 59 7D-1 0.04667 -0.00663 0.00364 0.00345 0.06243 60 7D+2 0.00355 -0.02490 0.00307 0.02358 0.01000 61 7D-2 0.00610 -0.02224 -0.02959 0.05280 -0.06001 62 8D 0 0.00129 0.00743 -0.00036 0.00015 0.01485 63 8D+1 0.01295 0.00915 0.00113 0.00030 0.00330 64 8D-1 0.01336 0.00116 0.00008 0.00296 0.01936 65 8D+2 -0.00353 -0.00301 0.00060 0.00576 -0.00447 66 8D-2 0.00297 -0.00805 -0.00858 0.01475 -0.01865 67 4 Cu 1S 0.00121 -0.00258 0.00008 -0.00004 0.01917 68 2S 0.04124 -0.08774 0.00957 0.00015 0.21327 69 3S 0.12226 -0.25993 0.41230 0.03339 1.48744 70 4PX -0.00971 0.01250 0.01168 0.01471 -0.02980 71 4PY -0.00282 0.00751 0.00819 -0.00238 0.01134 72 4PZ -0.00639 0.01959 0.01522 -0.00951 -0.04380 73 5PX 0.08135 -0.07591 -0.01351 0.02259 0.30917 74 5PY 0.04024 -0.10312 -0.02040 -0.00652 0.20700 75 5PZ 0.02498 -0.12478 -0.01427 -0.01527 0.36664 76 6PX -1.54998 3.32384 -0.19544 -0.63208 -0.75389 77 6PY -3.28768 6.99692 -0.25281 0.10467 -0.34702 78 6PZ -1.46354 3.10259 -0.23862 0.43978 -0.94946 79 7D 0 0.00047 -0.00508 0.01218 0.02438 -0.02337 80 7D+1 0.00947 -0.01776 0.07838 -0.00196 0.01126 81 7D-1 -0.02382 0.05511 0.02069 0.04790 -0.04327 82 7D+2 -0.01051 0.02235 -0.02514 -0.03401 -0.06415 83 7D-2 -0.01644 0.02786 0.03271 -0.06083 -0.00873 84 8D 0 0.00064 -0.00030 0.00341 0.00477 -0.00315 85 8D+1 0.00219 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7D-2 0.00218 0.00972 0.00113 -0.00054 -0.01002 106 8D 0 0.00021 -0.00151 -0.00092 -0.00274 -0.00265 107 8D+1 -0.00042 0.00177 -0.00267 0.00079 -0.00319 108 8D-1 0.00238 -0.00279 -0.00067 -0.00458 0.01019 109 8D+2 -0.00342 -0.00832 0.00012 0.00037 -0.01363 110 8D-2 0.00248 0.00139 -0.00082 -0.00015 -0.00360 111 6 Cu 1S -0.00077 0.00166 0.00451 0.00007 -0.00130 112 2S -0.00045 0.00084 0.08848 0.00095 -0.03773 113 3S 0.11420 -0.25024 1.69210 0.01881 -1.18015 114 4PX -0.02477 -0.02902 0.03275 -0.00002 0.01179 115 4PY -0.00340 0.01943 -0.03735 -0.00035 0.06639 116 4PZ 0.03314 -0.01334 0.05455 0.00098 0.00396 117 5PX 0.17286 0.20821 -0.21343 0.02226 -0.21609 118 5PY 0.01571 -0.12019 0.31822 -0.00009 -0.84580 119 5PZ -0.23437 0.09501 -0.37130 -0.02170 -0.14706 120 6PX -2.41791 -0.79727 1.01503 0.57923 -0.03983 121 6PY 0.28705 0.30582 -0.26343 -0.08628 2.25403 122 6PZ 1.40864 1.17130 1.49970 -0.38086 -0.55614 123 7D 0 0.00664 -0.00028 -0.02966 -0.00998 0.01464 124 7D+1 -0.01196 0.00634 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6PZ -0.24198 0.13941 -0.75189 -0.60609 -0.60180 145 7D 0 0.01375 -0.00574 -0.01104 -0.00472 -0.03615 146 7D+1 -0.00607 0.01079 -0.01414 -0.00604 -0.01903 147 7D-1 0.00010 -0.00615 0.00125 0.00863 -0.01723 148 7D+2 0.01019 -0.00601 -0.00012 0.01480 -0.04299 149 7D-2 0.00659 -0.01712 -0.00287 0.01112 0.05292 150 8D 0 0.00590 -0.00019 -0.00079 -0.00199 -0.01043 151 8D+1 -0.00317 0.00122 -0.00267 0.00064 -0.00235 152 8D-1 0.00075 -0.00313 -0.00069 0.00137 -0.00385 153 8D+2 0.00602 -0.00334 0.00008 0.00331 -0.00305 154 8D-2 -0.00141 -0.00163 -0.00094 0.00327 0.01338 155 8 C 1S 0.00985 -0.02097 0.00225 0.00023 0.05024 156 2S -0.01734 0.03686 -0.01106 -0.00097 -0.10119 157 3S -0.15637 0.33324 0.00878 -0.00087 -0.75776 158 4PX 0.02502 -0.06146 0.04339 0.10619 -0.02925 159 4PY -0.00625 0.01465 0.02468 -0.01701 -0.06337 160 4PZ 0.04324 -0.08619 0.05798 -0.07108 -0.02432 161 5PX 0.01763 -0.06352 0.03676 0.03582 -0.02258 162 5PY 0.06544 -0.13492 -0.09285 -0.01358 0.17274 163 5PZ 0.03057 -0.04684 0.07397 -0.01580 -0.07523 164 9 O 1S 0.00420 -0.00895 0.00153 0.00006 -0.02073 165 2S -0.01491 0.03181 0.00225 0.00016 0.03935 166 3S 0.00174 -0.00403 -0.05552 -0.00358 0.28094 167 4PX 0.00582 -0.01010 -0.01481 -0.05701 0.02306 168 4PY 0.03011 -0.06461 -0.02590 0.00789 0.10737 169 4PZ 0.00078 -0.00359 -0.01585 0.03935 0.00542 170 5PX -0.00501 0.02165 -0.01468 -0.04480 -0.00085 171 5PY 0.02817 -0.06174 -0.01787 0.00629 0.11934 172 5PZ -0.02240 0.04024 -0.01626 0.02912 -0.03161 111 112 113 114 115 V V V V V EIGENVALUES -- 0.19589 0.20055 0.21796 0.23679 0.24607 1 1 Cu 1S -0.00036 -0.00002 0.00923 -0.00010 -0.00017 2 2S -0.00182 0.00774 0.06171 -0.00039 -0.00082 3 3S -0.00676 1.17641 -1.03048 0.04416 0.01506 4 4PX 0.06156 0.03395 0.00149 -0.02768 -0.02047 5 4PY -0.01020 -0.03786 0.03151 0.00373 0.00312 6 4PZ -0.04304 0.05466 -0.00394 0.02064 0.01441 7 5PX -0.91867 -0.63581 0.05035 0.60263 0.69201 8 5PY 0.14989 0.45484 -0.48132 -0.08393 -0.10714 9 5PZ 0.64106 -0.97646 0.16231 -0.45329 -0.49237 10 6PX 1.59344 0.40768 0.06651 -0.36474 -1.53016 11 6PY -0.25526 -0.90246 0.92306 0.03376 0.22900 12 6PZ -1.11575 0.72023 -0.08313 0.26035 1.07379 13 7D 0 -0.07000 0.05180 -0.04538 0.03242 0.09262 14 7D+1 0.02472 0.05883 -0.00587 -0.00600 -0.04120 15 7D-1 -0.02782 0.02632 0.01820 0.04602 -0.00680 16 7D+2 0.05110 0.05680 -0.06696 -0.03356 -0.04555 17 7D-2 0.02237 0.00854 0.03195 -0.05530 0.03369 18 8D 0 -0.01593 0.01131 -0.00636 0.01658 0.02760 19 8D+1 0.00597 0.01381 -0.00233 -0.00638 -0.01047 20 8D-1 -0.00606 0.00893 0.01378 0.00267 0.00972 21 8D+2 0.01101 0.01279 -0.00495 -0.00947 -0.01839 22 8D-2 0.00409 0.00401 0.01086 0.00037 -0.00602 23 2 Cu 1S 0.00573 -0.00414 0.01173 0.00297 -0.00274 24 2S 0.02374 -0.06178 0.02899 -0.01248 -0.00102 25 3S 0.26257 -1.49849 -0.18078 -1.66688 0.74584 26 4PX -0.08278 -0.02938 0.00468 -0.03231 0.00972 27 4PY 0.01062 0.01313 -0.01826 0.03827 0.06358 28 4PZ -0.03502 0.02827 -0.02221 0.02585 0.06119 29 5PX 1.14339 0.30302 -0.09555 0.73541 -0.22415 30 5PY -0.11437 -0.11892 0.10331 -0.62862 -1.37287 31 5PZ 0.45079 -0.48520 0.44380 -0.42856 -1.26017 32 6PX -2.47001 -0.82871 -0.06367 -0.77932 0.27906 33 6PY 0.43030 0.90333 -0.44639 1.72449 2.52275 34 6PZ -0.56146 -0.20835 -0.85502 0.32569 2.86869 35 7D 0 0.05136 -0.03716 0.01630 0.01092 -0.06528 36 7D+1 0.06189 -0.04085 -0.00481 0.02163 0.03217 37 7D-1 0.01099 -0.03930 -0.03632 -0.06662 0.00903 38 7D+2 -0.03319 -0.00168 -0.00349 -0.04980 -0.02794 39 7D-2 0.01071 -0.03971 0.02923 -0.00619 0.03843 40 8D 0 0.01355 -0.01042 0.00975 -0.00113 -0.02764 41 8D+1 0.01973 -0.01397 -0.00308 0.00924 0.01022 42 8D-1 0.00230 -0.01630 -0.01686 -0.01703 0.00197 43 8D+2 -0.01105 0.00027 0.00034 -0.01595 -0.01298 44 8D-2 0.00286 -0.01078 0.00950 0.00092 0.01336 45 3 Cu 1S -0.00640 -0.00412 0.01172 -0.00363 0.00307 46 2S -0.02781 -0.06160 0.02942 0.00804 0.00259 47 3S -0.30051 -1.50301 -0.17331 1.60294 -0.75434 48 4PX 0.00326 0.03881 -0.02636 -0.04003 -0.06615 49 4PY -0.00046 0.00385 -0.01425 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-0.00608 0.03003 19 8D+1 -0.00493 -0.01579 0.00209 -0.02124 0.02405 20 8D-1 0.01424 -0.00367 0.00240 0.00202 0.01878 21 8D+2 -0.01446 -0.03736 0.00048 0.00543 0.03907 22 8D-2 -0.01021 0.00821 -0.00501 -0.00231 0.00421 23 2 Cu 1S -0.01641 -0.00576 -0.00339 -0.00473 0.03150 24 2S -0.22105 0.13961 -0.09078 -0.00433 0.04457 25 3S -6.62557 6.63667 -3.84011 0.03988 -0.39322 26 4PX -0.06578 0.03382 -0.01066 0.00238 -0.00546 27 4PY -0.03333 0.04857 -0.03037 0.00036 0.00093 28 4PZ 0.06884 -0.04212 0.02889 0.00480 0.00208 29 5PX 2.09803 -0.57820 0.53283 0.29680 0.00675 30 5PY 0.36960 -2.37263 0.67989 -0.02229 0.09261 31 5PZ -2.07363 1.23779 -0.82336 0.21826 -0.14551 32 6PX 0.64112 -0.58999 0.37902 0.15710 0.00660 33 6PY 0.35526 -0.61184 0.67764 -0.55707 0.14825 34 6PZ -0.71252 0.31695 -0.34891 -0.62160 0.28304 35 7D 0 -0.03444 0.01747 0.00556 0.00182 0.00163 36 7D+1 0.06829 -0.01002 0.02456 -0.01497 0.04195 37 7D-1 0.00083 -0.07119 0.01887 0.00137 0.01703 38 7D+2 -0.06216 -0.08456 0.01567 -0.03456 -0.00804 39 7D-2 -0.00541 0.05316 0.00635 -0.02548 -0.03137 40 8D 0 -0.00758 -0.00442 -0.00570 0.01683 -0.00960 41 8D+1 0.02931 0.00636 0.00367 0.00786 -0.04722 42 8D-1 0.00535 -0.02525 -0.00933 -0.00653 -0.00939 43 8D+2 -0.01867 -0.02639 -0.00982 0.00292 0.02479 44 8D-2 -0.01153 0.00549 -0.00768 0.00044 0.03760 45 3 Cu 1S 0.01764 -0.00539 0.00309 -0.00444 0.03157 46 2S 0.23454 0.13213 0.09488 -0.00362 0.04455 47 3S 7.02117 6.19483 4.02773 0.01618 -0.40616 48 4PX -0.07620 -0.03694 -0.02538 0.00366 0.00391 49 4PY 0.06379 0.05642 0.03695 0.00000 -0.00058 50 4PZ 0.03730 0.00901 -0.00468 0.00390 -0.00457 51 5PX 2.31675 0.73890 0.82554 0.09799 -0.11812 52 5PY -1.37804 -2.50088 -0.94644 0.01278 0.11470 53 5PZ -1.43355 0.27184 -0.08132 0.35531 -0.05681 54 6PX 0.72712 0.31027 0.33914 -0.73617 0.28369 55 6PY -0.70158 -0.70541 -0.78392 -0.41604 0.11023 56 6PZ -0.35505 -0.31212 -0.13595 0.01819 0.07831 57 7D 0 0.00328 -0.07715 -0.02305 -0.02811 0.02307 58 7D+1 -0.05199 0.04291 -0.01549 -0.00714 0.02597 59 7D-1 0.03828 -0.00750 -0.01727 -0.03190 -0.02614 60 7D+2 0.05345 -0.06327 -0.01062 -0.00404 -0.00053 61 7D-2 -0.03677 -0.05815 -0.01656 0.01347 0.03462 62 8D 0 -0.00633 -0.01231 0.00039 0.00169 -0.01362 63 8D+1 -0.02272 0.01302 -0.00091 0.01518 -0.03778 64 8D-1 0.02076 -0.01374 0.01274 -0.00322 0.04077 65 8D+2 0.01193 -0.02787 0.01024 0.00906 0.00512 66 8D-2 -0.02067 -0.01335 0.00154 -0.00837 -0.03371 67 4 Cu 1S 0.00087 0.00874 0.00053 0.00669 -0.07192 68 2S 0.00721 -0.02582 0.00309 0.05588 -0.20815 69 3S 0.03938 -2.88733 0.01177 0.22972 3.33499 70 4PX -0.04334 -0.02377 -0.01131 -0.02395 0.01402 71 4PY 0.00848 0.13509 0.00407 0.01280 -0.03076 72 4PZ 0.03821 -0.06593 0.00647 -0.03783 0.02682 73 5PX 1.60890 0.53521 0.82157 0.78127 -0.01947 74 5PY -0.32097 -4.28210 -0.18393 0.17052 -0.10396 75 5PZ -1.38964 1.81940 -0.55230 1.10485 -0.00074 76 6PX -0.31998 -0.29044 2.40532 1.72617 -0.27208 77 6PY 0.10371 -1.59283 -0.43056 2.42806 -0.72261 78 6PZ 0.25507 0.00802 -1.71986 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-0.28107 0.01044 99 6PY -0.18152 0.00596 0.26202 -0.95057 0.21859 100 6PZ 0.21290 -0.23490 -0.30099 0.01819 -0.42796 101 7D 0 -0.03871 -0.01177 0.01323 -0.01924 0.05092 102 7D+1 -0.02948 0.00973 -0.00618 -0.00315 0.00238 103 7D-1 0.03593 0.02706 -0.01002 0.00985 0.00102 104 7D+2 -0.01979 0.02228 -0.03396 -0.02662 0.00476 105 7D-2 0.00251 -0.02960 -0.01811 0.02159 0.00819 106 8D 0 0.00094 0.01677 -0.03934 0.04302 -0.07337 107 8D+1 0.01375 -0.00492 0.00017 -0.00073 -0.00801 108 8D-1 -0.01145 -0.00811 0.02239 -0.02101 0.01017 109 8D+2 -0.00973 0.02209 0.01040 0.00287 -0.00752 110 8D-2 0.00779 0.02073 0.01173 0.00012 -0.01988 111 6 Cu 1S -0.00204 -0.00477 -0.00008 0.00339 0.03115 112 2S -0.02608 -0.01730 0.00128 0.12739 0.03999 113 3S -0.75487 -1.16482 0.04699 4.71859 -0.51538 114 4PX -0.02213 0.00932 0.00210 -0.03009 0.00418 115 4PY 0.00843 0.00373 -0.00046 0.00983 0.00762 116 4PZ 0.02854 0.01191 -0.00200 -0.04474 0.00427 117 5PX 1.37762 -0.19820 0.16645 0.87600 -0.13017 118 5PY -0.38418 -1.34482 -0.04257 -0.30514 -0.01771 119 5PZ -1.31288 0.06557 -0.09642 1.31756 -0.18323 120 6PX 0.37216 -0.22504 -0.54893 0.52413 0.00304 121 6PY -0.10192 -0.83812 0.06909 0.13719 0.22625 122 6PZ -0.38589 -0.13018 0.39279 0.69586 -0.05234 123 7D 0 -0.09765 0.04432 0.00722 0.03328 -0.02018 124 7D+1 0.03321 0.01560 -0.00688 0.02590 -0.04354 125 7D-1 -0.03860 -0.03640 -0.02755 -0.03004 -0.02774 126 7D+2 0.06372 0.04774 0.00891 0.02781 -0.01345 127 7D-2 0.01814 -0.04100 0.03828 -0.02735 -0.02070 128 8D 0 -0.02786 0.01086 -0.01222 -0.00376 0.01524 129 8D+1 0.00808 0.00277 0.00592 -0.00561 0.04663 130 8D-1 -0.01300 -0.04533 0.00363 0.01061 0.04183 131 8D+2 0.01872 0.00045 0.00486 0.00058 0.00784 132 8D-2 0.00578 -0.03289 -0.00944 0.00678 0.03281 133 7 Cu 1S 0.01071 0.01642 -0.02502 -0.01633 -0.02864 134 2S 0.09635 -0.03496 -0.10518 -0.10532 -0.04486 135 3S 1.01588 -3.63938 -0.35353 -1.42092 -0.48688 136 4PX -0.02093 0.03736 0.02504 0.03521 0.00063 137 4PY -0.01166 0.01389 0.00073 -0.00434 0.00158 138 4PZ 0.01535 -0.00603 0.00718 -0.00372 -0.00438 139 5PX 0.67363 -0.89847 -0.17080 -0.45421 -0.13633 140 5PY 0.01491 -0.77324 -0.35486 -0.13668 0.07028 141 5PZ -0.53715 0.23855 0.04861 0.47505 -0.04918 142 6PX -0.03617 -0.37453 -0.03096 -0.09358 -0.35415 143 6PY 0.10311 0.14580 -0.13119 -0.97820 0.27042 144 6PZ -0.34049 0.40542 0.81144 -0.14003 -0.17397 145 7D 0 0.03304 0.02841 0.02876 -0.02018 -0.01370 146 7D+1 0.03633 -0.01463 -0.00965 -0.00279 0.03026 147 7D-1 -0.01077 -0.00887 0.03197 0.01626 0.00461 148 7D+2 0.02229 0.01487 0.00188 -0.02932 0.03736 149 7D-2 -0.03460 0.03116 0.00172 0.01383 -0.01296 150 8D 0 0.00378 0.00448 -0.01583 -0.01042 0.01734 151 8D+1 -0.01696 0.00424 0.02508 0.02436 -0.04955 152 8D-1 0.00008 0.02195 -0.02496 -0.01043 -0.00974 153 8D+2 0.01389 0.01426 0.02066 0.02593 -0.04679 154 8D-2 0.00289 -0.02126 -0.02436 -0.02929 0.03010 155 8 C 1S -0.00188 0.07299 0.00086 0.00451 0.04032 156 2S 0.00061 -0.03778 -0.00165 -0.03415 -0.22995 157 3S 0.05911 -2.46456 -0.02126 -0.06331 -2.11737 158 4PX -0.18968 -0.00301 0.66677 0.46467 -0.09992 159 4PY 0.04122 0.05627 -0.11361 0.28799 0.97985 160 4PZ 0.15565 -0.01015 -0.45986 0.60609 -0.38877 161 5PX -0.06395 0.37948 -1.43664 -0.93848 0.11222 162 5PY 0.02752 0.34826 0.23850 -1.14682 -0.44295 163 5PZ 0.03237 0.41715 1.00709 -1.09476 0.27180 164 9 O 1S 0.00056 -0.04333 0.00019 0.01561 -0.08884 165 2S -0.00203 0.08451 -0.00029 -0.02612 0.24690 166 3S -0.00411 0.66172 -0.00223 -0.26544 0.81511 167 4PX 0.04572 -0.04697 0.11743 0.06459 0.06430 168 4PY -0.01343 0.11911 -0.01717 0.06385 0.15527 169 4PZ -0.03271 -0.09146 -0.08272 0.07895 0.04946 170 5PX 0.03549 -0.10676 0.08979 0.08521 -0.28489 171 5PY -0.01462 0.29952 -0.01692 -0.02109 1.20069 172 5PZ -0.02487 -0.22335 -0.06322 0.13029 -0.69804 126 127 128 129 130 V V V V V EIGENVALUES -- 0.64030 0.64887 0.65923 0.67240 0.67679 1 1 Cu 1S -0.00971 0.17568 -0.07725 0.00080 0.06131 2 2S 0.00019 0.33156 -0.08623 -0.00081 0.09967 3 3S 0.13097 -2.43928 1.80387 0.00830 -1.90651 4 4PX -0.00039 -0.00336 0.00627 0.00051 -0.00181 5 4PY 0.00417 0.00115 0.00377 0.00004 -0.00988 6 4PZ -0.00150 -0.00502 0.00811 -0.00113 -0.00031 7 5PX -0.02035 0.31819 -0.35698 0.27353 0.18337 8 5PY -0.21450 0.33374 -0.28746 -0.04600 0.42014 9 5PZ 0.02275 0.37918 -0.47214 -0.16576 0.13201 10 6PX 0.03076 0.25489 -0.07225 -0.13644 0.02761 11 6PY 0.47534 0.06762 0.35612 0.00604 0.30731 12 6PZ -0.06347 0.34893 -0.16764 0.10065 -0.01576 13 7D 0 -0.09250 -0.00527 0.02660 0.05171 -0.00970 14 7D+1 -0.06167 -0.00156 0.19163 -0.02564 -0.13864 15 7D-1 0.12126 -0.04193 0.09169 0.01510 0.03107 16 7D+2 -0.07303 -0.02331 -0.06141 -0.03587 0.07370 17 7D-2 0.10265 -0.02029 0.10353 -0.01177 -0.01036 18 8D 0 0.11216 -0.00677 -0.02855 -0.03343 0.01948 19 8D+1 0.08814 -0.02624 -0.24945 0.01960 0.19454 20 8D-1 -0.16438 0.03313 -0.10503 -0.01309 -0.05771 21 8D+2 0.07477 0.02064 0.09018 0.02501 -0.10409 22 8D-2 -0.13104 0.01055 -0.12813 0.01431 0.00258 23 2 Cu 1S 0.01937 -0.03627 -0.02620 0.05878 -0.01369 24 2S 0.05172 -0.06922 -0.03639 0.03689 -0.03910 25 3S 1.11183 0.83049 -0.00705 -2.86218 0.04646 26 4PX -0.00045 -0.00234 0.00324 -0.01020 -0.00444 27 4PY 0.00411 -0.00810 0.00464 -0.00870 -0.00020 28 4PZ -0.00435 0.00506 0.00596 0.01849 0.00026 29 5PX -0.10911 0.18721 -0.26129 0.70560 0.10139 30 5PY -0.33585 0.17339 -0.26618 0.24370 0.04626 31 5PZ 0.06167 0.08413 -0.37459 -0.68838 0.02961 32 6PX -0.26239 0.48187 -0.22533 0.68209 0.03544 33 6PY -0.42337 0.19474 -0.43075 -0.20329 -0.09150 34 6PZ -0.43718 0.21938 -0.76340 -0.18926 -0.23648 35 7D 0 0.04122 -0.11288 0.14338 0.05603 -0.04210 36 7D+1 0.07071 -0.13374 -0.17527 0.05568 0.10935 37 7D-1 -0.10007 -0.05041 0.06509 0.09796 -0.06479 38 7D+2 0.12974 0.13334 0.04244 0.08323 0.01390 39 7D-2 -0.12064 0.05357 0.08257 -0.09097 0.09893 40 8D 0 -0.06157 0.16562 -0.22350 -0.07762 0.05901 41 8D+1 -0.10619 0.18122 0.24572 -0.05367 -0.14748 42 8D-1 0.13430 0.10166 -0.08960 -0.12983 0.10203 43 8D+2 -0.18023 -0.18812 -0.04266 -0.13417 -0.02565 44 8D-2 0.17838 -0.08980 -0.11602 0.11444 -0.13133 45 3 Cu 1S 0.02093 -0.03536 -0.03086 -0.05430 -0.01734 46 2S 0.05336 -0.06711 -0.03915 -0.02691 -0.03927 47 3S 1.04555 0.84509 0.24484 2.90341 0.33419 48 4PX -0.00281 0.00353 0.00398 -0.01934 -0.00062 49 4PY 0.00410 -0.00867 0.00555 0.01335 0.00065 50 4PZ -0.00250 0.00058 0.00445 0.00137 -0.00456 51 5PX 0.01056 0.05891 -0.24934 0.83339 0.08108 52 5PY -0.34279 0.18605 -0.29932 -0.47181 0.00638 53 5PZ -0.02866 0.18323 -0.36250 -0.34748 0.08316 54 6PX -0.40429 0.07756 -0.67003 0.49468 -0.21276 55 6PY -0.39271 0.24107 -0.34450 0.05146 -0.06129 56 6PZ -0.32432 0.50018 -0.46478 -0.55818 -0.07963 57 7D 0 0.15901 0.05042 -0.14462 -0.07770 0.06163 58 7D+1 0.01883 -0.18320 -0.04771 -0.02412 0.07767 59 7D-1 -0.10590 0.08501 0.10866 0.01393 0.05262 60 7D+2 0.07387 -0.01045 0.15998 -0.12359 -0.10932 61 7D-2 -0.07944 -0.10122 -0.05524 -0.08839 -0.06801 62 8D 0 -0.22562 -0.07710 0.22143 0.10382 -0.09211 63 8D+1 -0.03143 0.25123 0.04801 0.01480 -0.10336 64 8D-1 0.15561 -0.12207 -0.14312 -0.00502 -0.06520 65 8D+2 -0.10794 0.03493 -0.23136 0.18267 0.15111 66 8D-2 0.10306 0.16928 0.07768 0.10398 0.10415 67 4 Cu 1S -0.03388 0.03023 0.01174 -0.00132 0.01131 68 2S -0.06794 0.07617 -0.00298 0.00154 -0.00709 69 3S 0.22852 2.78642 1.46003 -0.15727 2.04413 70 4PX -0.00447 0.00509 0.01907 -0.01452 -0.00208 71 4PY 0.02433 -0.01016 -0.00825 0.00319 -0.01515 72 4PZ -0.01200 0.00944 0.03019 0.00812 0.00041 73 5PX -0.00970 -0.00874 -0.33603 0.62656 0.21924 74 5PY -0.55424 0.31217 -0.29336 -0.08341 0.14597 75 5PZ 0.12017 -0.08192 -0.47193 -0.44156 0.24247 76 6PX 0.16059 -0.16080 0.04029 -0.01945 0.35264 77 6PY 0.58246 -0.28084 0.56260 -0.11678 1.72393 78 6PZ 0.10765 -0.16875 -0.06762 0.02077 0.13692 79 7D 0 -0.08210 0.07324 -0.08333 -0.17547 -0.04788 80 7D+1 -0.03397 0.13000 0.05468 0.08966 -0.16088 81 7D-1 0.07693 -0.01905 0.01861 0.03149 0.00750 82 7D+2 -0.09209 0.02556 -0.14968 0.07912 0.04579 83 7D-2 0.08194 -0.01021 0.06188 -0.09876 -0.04129 84 8D 0 0.12305 -0.10551 0.13136 0.26330 0.07827 85 8D+1 0.05403 -0.20539 -0.07529 -0.13704 0.26102 86 8D-1 -0.11262 0.05023 -0.03928 -0.04910 -0.01401 87 8D+2 0.13656 -0.01643 0.22755 -0.11808 -0.07041 88 8D-2 -0.12009 0.02227 -0.10110 0.15372 0.06276 89 5 Cu 1S 0.06172 0.15854 0.04715 0.04913 0.03109 90 2S 0.10299 0.30373 0.08798 0.05601 0.08007 91 3S -0.90055 -2.57193 -0.96040 -0.86556 -0.14090 92 4PX 0.00020 -0.00319 0.00111 -0.00609 0.00306 93 4PY 0.00747 0.00167 0.00147 0.00676 0.00143 94 4PZ -0.00469 0.00383 0.00129 -0.00150 -0.00179 95 5PX 0.03248 0.45285 -0.00612 0.35444 -0.14200 96 5PY -0.30353 -0.27995 -0.16332 -0.17323 -0.04202 97 5PZ -0.03272 -0.27709 -0.26871 -0.18766 0.00658 98 6PX 0.14543 0.24999 0.19909 -0.13470 -0.01093 99 6PY -0.12939 -0.31749 -0.05197 0.02059 -0.44901 100 6PZ 0.12788 -0.39778 0.28819 0.21715 0.12539 101 7D 0 0.01927 -0.02465 -0.04269 0.00820 0.07604 102 7D+1 -0.05090 -0.08896 0.01867 0.11579 0.07921 103 7D-1 0.00681 0.04193 -0.16674 -0.15654 0.02603 104 7D+2 0.09054 -0.00351 0.02227 -0.01765 -0.00403 105 7D-2 0.16153 0.05754 -0.02812 0.13530 -0.09195 106 8D 0 -0.00753 0.05920 0.04204 -0.02243 -0.10593 107 8D+1 0.07611 0.14288 -0.00935 -0.15977 -0.12991 108 8D-1 -0.01879 -0.08005 0.23098 0.22009 -0.03945 109 8D+2 -0.10411 -0.00965 -0.00744 0.00646 0.01859 110 8D-2 -0.21666 -0.04796 0.04002 -0.17227 0.13327 111 6 Cu 1S 0.05033 -0.05765 -0.01349 0.00045 -0.02255 112 2S 0.05512 -0.06153 -0.08312 0.00384 -0.04919 113 3S -0.87364 3.17352 -1.48639 0.10124 -0.15025 114 4PX 0.00639 -0.00854 0.00919 -0.00977 0.00695 115 4PY 0.00321 0.00504 0.00157 0.00158 -0.00741 116 4PZ 0.00845 -0.01315 0.01316 0.00534 0.01254 117 5PX -0.20246 0.35278 -0.33040 0.53671 -0.04059 118 5PY -0.28098 -0.07990 -0.25419 -0.08403 0.23431 119 5PZ -0.22284 0.51738 -0.45777 -0.33741 -0.15331 120 6PX -0.03208 0.07167 -0.06886 0.53694 -0.01753 121 6PY -0.53701 0.00992 -0.71854 -0.05695 -0.21917 122 6PZ 0.07607 0.10641 0.00883 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-0.29865 -0.00368 162 5PY -0.03083 -0.30086 -0.20420 0.10105 -0.62422 163 5PZ 0.09620 -0.11236 0.23704 0.17889 0.18341 164 9 O 1S 0.00998 -0.01815 0.00376 -0.00106 0.01260 165 2S 0.00261 0.06321 -0.00464 -0.00063 0.01400 166 3S -0.17693 0.16039 0.01040 0.01549 -0.23260 167 4PX 0.05770 -0.20127 0.03952 -0.33588 -0.08577 168 4PY 0.20828 0.09170 0.31530 0.00894 0.56134 169 4PZ 0.02925 -0.30014 0.01592 0.25860 -0.19708 170 5PX -0.06800 0.25421 -0.07975 0.53132 0.13057 171 5PY -0.45423 0.31499 -0.33104 -0.03061 -0.73320 172 5PZ 0.01869 0.26961 -0.09058 -0.40087 0.26926 131 132 133 134 135 V V V V V EIGENVALUES -- 0.68035 0.69179 0.69964 0.71248 0.73714 1 1 Cu 1S 0.00266 0.05634 -0.14597 0.00200 -0.00321 2 2S 0.00477 0.09071 -0.27801 0.00314 0.01249 3 3S -0.07013 -0.81024 3.34663 -0.05302 0.43656 4 4PX 0.00218 -0.00515 0.00091 0.00011 -0.00526 5 4PY -0.00053 -0.00421 0.00226 -0.00030 0.00583 6 4PZ -0.00125 -0.00649 0.00075 -0.00044 -0.00904 7 5PX -0.14468 0.17027 -0.39527 0.28437 -0.07920 8 5PY 0.03549 0.17977 -0.29570 -0.02984 0.05605 9 5PZ 0.10565 0.23169 -0.50260 -0.18674 -0.11849 10 6PX -0.13284 0.02486 -0.40879 0.23475 -0.01963 11 6PY 0.02374 0.15543 -0.49918 -0.02704 -0.35194 12 6PZ 0.10024 0.00176 -0.47785 -0.15760 0.05383 13 7D 0 -0.05525 -0.04358 -0.10028 -0.15553 0.02401 14 7D+1 0.03673 -0.12871 -0.14219 0.04975 -0.03423 15 7D-1 0.08469 0.07677 -0.05829 -0.10823 0.16523 16 7D+2 -0.00963 0.04175 -0.08588 0.12848 0.11596 17 7D-2 -0.14116 0.01878 -0.03016 0.11322 0.07738 18 8D 0 0.07023 0.06001 0.16263 0.23858 -0.01868 19 8D+1 -0.05163 0.18830 0.24585 -0.07489 0.07370 20 8D-1 -0.13672 -0.13385 0.12204 0.17577 -0.24944 21 8D+2 0.02533 -0.07026 0.13683 -0.20136 -0.16050 22 8D-2 0.22135 -0.03832 0.07091 -0.18837 -0.11862 23 2 Cu 1S -0.00628 0.02117 0.13889 0.21160 0.01801 24 2S -0.01483 0.06281 0.20345 0.32234 0.02316 25 3S 0.68238 0.79665 -4.18441 -5.93299 -0.85214 26 4PX -0.00494 -0.00570 -0.00731 -0.01111 0.00101 27 4PY 0.00832 0.01083 -0.00993 -0.01336 0.01069 28 4PZ -0.00805 -0.00269 0.00821 0.00878 0.01478 29 5PX 0.16498 0.21048 0.48640 0.77577 0.14408 30 5PY -0.21685 -0.16944 0.61021 0.71400 0.05750 31 5PZ 0.14241 0.11271 -0.47156 -0.70742 -0.11496 32 6PX 0.04601 0.17727 0.22991 0.44287 0.19640 33 6PY -0.27609 0.03694 0.42715 0.69917 0.24009 34 6PZ -0.08241 0.13778 -0.38913 -0.52874 0.13320 35 7D 0 0.05700 0.01090 -0.00448 -0.07331 0.11955 36 7D+1 0.01459 0.01727 0.12219 -0.08739 0.05887 37 7D-1 -0.13766 -0.10952 0.03423 -0.02177 -0.03177 38 7D+2 0.00812 0.10489 -0.03616 0.03579 0.03578 39 7D-2 -0.14571 0.16170 0.06685 -0.05452 0.04691 40 8D 0 -0.06969 -0.01263 -0.01131 0.11457 -0.16635 41 8D+1 -0.03343 -0.02306 -0.18912 0.18107 -0.09495 42 8D-1 0.19300 0.16801 -0.06480 0.00310 0.04384 43 8D+2 -0.03504 -0.16564 0.05726 -0.03802 -0.06098 44 8D-2 0.20301 -0.24917 -0.15638 0.06221 -0.08934 45 3 Cu 1S 0.00357 0.02800 0.13718 -0.21019 0.01892 46 2S 0.00671 0.07163 0.20049 -0.31901 0.02449 47 3S -0.72529 0.51041 -4.14079 5.96247 -0.88901 48 4PX 0.00422 0.00275 0.00811 -0.00910 0.01545 49 4PY -0.00942 0.00842 -0.01214 0.01672 0.00829 50 4PZ 0.00858 -0.00736 -0.00241 0.00483 0.00472 51 5PX -0.03175 -0.04472 -0.46409 0.75870 -0.14299 52 5PY 0.22080 -0.08682 0.74946 -0.94652 0.10905 53 5PZ -0.23723 0.26488 0.20111 -0.36299 0.08335 54 6PX 0.13193 0.07089 -0.33820 0.48904 0.08964 55 6PY 0.25136 0.10072 0.51265 -0.83742 0.24268 56 6PZ -0.05484 0.21842 0.01756 -0.11977 0.20722 57 7D 0 -0.03791 0.05557 0.02656 -0.01611 0.01415 58 7D+1 -0.01875 0.03258 0.11172 0.12909 0.11438 59 7D-1 0.17593 0.14426 0.05037 0.03314 0.03113 60 7D+2 -0.04308 -0.02088 -0.06031 0.00389 0.06629 61 7D-2 0.09888 -0.15365 0.05082 0.00991 -0.06061 62 8D 0 0.08055 -0.08481 -0.02247 -0.01987 -0.02915 63 8D+1 0.02437 -0.04305 -0.19476 -0.22646 -0.17130 64 8D-1 -0.23620 -0.22351 -0.12698 -0.02315 -0.06773 65 8D+2 0.06090 0.03207 0.09106 0.00122 -0.08790 66 8D-2 -0.13971 0.23865 -0.07092 0.00029 0.09043 67 4 Cu 1S 0.00125 -0.04042 -0.03092 -0.00185 0.05627 68 2S -0.00006 -0.04744 -0.03656 -0.00150 0.10746 69 3S 0.09604 0.88954 1.25407 0.11114 -0.78812 70 4PX -0.01363 0.00098 0.00728 0.00742 -0.01208 71 4PY 0.00191 -0.01537 0.01168 -0.00148 -0.00417 72 4PZ 0.00977 0.00570 0.00764 -0.00497 -0.01614 73 5PX 0.26943 -0.10571 -0.13525 0.11102 0.35014 74 5PY -0.04156 0.24332 0.16050 -0.00170 0.46216 75 5PZ -0.16677 -0.19435 -0.23311 -0.09440 0.39427 76 6PX 0.33860 0.08684 -0.25879 -0.06623 -0.09249 77 6PY 0.04279 -1.00826 0.06101 0.01276 -0.34885 78 6PZ -0.25181 0.36296 -0.39268 0.04806 -0.09155 79 7D 0 -0.04553 -0.00656 0.05618 0.05210 -0.02225 80 7D+1 -0.00353 0.02848 0.20237 -0.00416 -0.01272 81 7D-1 -0.11924 -0.10366 0.12894 0.12694 -0.04314 82 7D+2 0.08344 -0.06215 -0.00314 -0.08322 -0.04189 83 7D-2 0.16239 -0.03770 0.11418 -0.16590 -0.01598 84 8D 0 0.08692 -0.00634 -0.10238 -0.06982 0.04860 85 8D+1 -0.00045 -0.06544 -0.35326 -0.00355 0.02045 86 8D-1 0.18513 0.15995 -0.23181 -0.23228 0.07713 87 8D+2 -0.13710 0.08110 -0.00366 0.13815 0.09067 88 8D-2 -0.24831 0.06030 -0.20146 0.30874 0.02343 89 5 Cu 1S 0.04801 0.11939 0.02023 -0.10976 -0.01181 90 2S 0.05454 0.21673 0.04459 -0.19649 -0.05054 91 3S -1.45929 -2.16389 -1.07931 2.83193 -0.16494 92 4PX -0.00141 0.00032 0.00123 0.00116 -0.00308 93 4PY 0.00172 0.00340 0.00243 0.00161 -0.00747 94 4PZ 0.00902 0.00063 0.00074 -0.00320 0.00879 95 5PX 0.12863 0.28933 0.37563 -0.21630 0.11851 96 5PY -0.27146 -0.43673 0.11313 0.54861 -0.03626 97 5PZ -0.32282 -0.19294 -0.10215 0.24708 0.01823 98 6PX -0.05251 0.28702 0.40887 -0.23168 0.05255 99 6PY -0.22300 0.03676 -0.07296 0.59044 0.01248 100 6PZ 0.08260 -0.41936 -0.10750 0.34532 -0.07199 101 7D 0 -0.07240 0.04432 -0.06995 0.06823 -0.01195 102 7D+1 0.10392 0.01628 -0.12898 -0.04962 0.04250 103 7D-1 0.06125 -0.03881 -0.04158 0.00144 -0.04186 104 7D+2 0.06175 0.07843 0.08072 0.15289 0.11196 105 7D-2 0.14184 -0.05299 -0.11030 0.10357 -0.03606 106 8D 0 0.09965 -0.04602 0.09852 -0.11239 0.03232 107 8D+1 -0.14266 -0.00883 0.21515 0.06161 -0.07036 108 8D-1 -0.11409 0.03203 0.06949 0.02813 0.05539 109 8D+2 -0.08181 -0.09502 -0.14620 -0.24867 -0.15877 110 8D-2 -0.19798 0.10335 0.17529 -0.18923 0.06128 111 6 Cu 1S 0.00073 -0.08089 -0.19035 0.00045 -0.07356 112 2S 0.00093 -0.11437 -0.28773 0.00083 -0.09796 113 3S -0.03660 2.81241 5.90632 0.00360 2.38896 114 4PX -0.00126 -0.00189 -0.01418 0.00725 -0.00650 115 4PY 0.00015 0.00001 -0.00348 -0.00100 -0.00449 116 4PZ 0.00121 -0.00303 -0.01930 -0.00491 -0.00811 117 5PX 0.10384 0.23742 0.75356 -0.02323 0.34595 118 5PY -0.00642 0.00925 0.54062 -0.00113 0.04178 119 5PZ -0.07968 0.34981 0.95427 0.01119 0.48424 120 6PX 0.24740 0.16844 0.57000 0.03852 0.20941 121 6PY -0.03530 -0.19252 0.22659 -0.01142 0.35131 122 6PZ -0.18023 0.27082 0.77476 -0.02985 0.23341 123 7D 0 0.11458 -0.01071 0.07858 0.01157 -0.02724 124 7D+1 -0.03507 0.03311 0.04301 0.01379 -0.10124 125 7D-1 0.09536 0.10295 -0.10121 0.11877 -0.06161 126 7D+2 -0.09864 -0.00996 0.07199 -0.05671 0.00221 127 7D-2 -0.09740 0.07645 -0.09059 -0.15987 -0.05789 128 8D 0 -0.15756 0.01199 -0.11257 -0.01578 0.05205 129 8D+1 0.04980 -0.06873 -0.07293 -0.02692 0.15760 130 8D-1 -0.12139 -0.13200 0.19938 -0.20945 0.09705 131 8D+2 0.13077 0.02597 -0.07918 0.09758 0.01179 132 8D-2 0.12151 -0.10686 0.15998 0.28326 0.08563 133 7 Cu 1S -0.05029 0.11479 0.02141 0.11400 -0.01172 134 2S -0.05615 0.20920 0.04671 0.20370 -0.05069 135 3S 1.51705 -2.03949 -1.10003 -2.92219 -0.14811 136 4PX -0.00911 0.00064 0.00078 0.00340 0.00753 137 4PY -0.00025 0.00338 0.00249 -0.00202 -0.00917 138 4PZ -0.00147 -0.00017 0.00116 0.00016 0.00118 139 5PX 0.40760 -0.33515 -0.19384 -0.42912 -0.02367 140 5PY 0.21011 -0.31695 0.19611 -0.46467 -0.00770 141 5PZ -0.06039 0.26614 0.29724 0.19658 0.12226 142 6PX -0.03666 -0.46245 -0.24614 -0.52995 -0.06587 143 6PY 0.19046 0.18219 0.02426 -0.48280 0.02153 144 6PZ -0.01152 0.09772 0.35954 0.18210 0.02807 145 7D 0 -0.09277 0.06234 0.03822 -0.03670 0.12021 146 7D+1 -0.04741 0.01027 -0.17969 0.01749 -0.01010 147 7D-1 -0.16685 -0.04679 -0.06971 -0.13648 -0.01315 148 7D+2 0.06834 0.06913 0.03581 -0.10549 0.03129 149 7D-2 -0.03224 -0.05710 -0.03989 0.09318 -0.04413 150 8D 0 0.12053 -0.08010 -0.06437 0.06860 -0.18330 151 8D+1 0.06320 0.00856 0.29088 -0.00617 0.01789 152 8D-1 0.24104 0.08627 0.10684 0.22833 0.02581 153 8D+2 -0.08634 -0.09686 -0.07660 0.15248 -0.03474 154 8D-2 0.07096 0.05185 0.07585 -0.18040 0.05128 155 8 C 1S 0.00296 -0.04695 0.01512 -0.00030 -0.00713 156 2S 0.01672 0.08087 0.05032 0.00642 -0.22700 157 3S -0.00528 -0.24569 0.05270 -0.00766 0.14876 158 4PX -0.01882 0.03219 0.02306 0.06481 0.02566 159 4PY 0.02283 -0.18755 0.02330 -0.01011 0.13813 160 4PZ 0.00316 0.09532 0.02583 -0.04324 0.00425 161 5PX 0.13324 -0.00578 0.01862 -0.12547 -0.47401 162 5PY -0.06510 0.46033 -0.00034 0.02179 -0.53998 163 5PZ -0.07585 -0.14748 0.03665 0.08143 -0.55653 164 9 O 1S 0.00076 -0.00301 -0.00089 -0.00009 0.00026 165 2S 0.00195 -0.04347 0.04090 0.00088 -0.05042 166 3S -0.01812 0.22404 -0.08034 0.00079 0.03746 167 4PX 0.26287 0.28340 -0.00983 0.04175 -0.33477 168 4PY -0.00909 -0.32561 0.15943 -0.00669 -0.34102 169 4PZ -0.21715 0.44390 -0.04325 -0.02604 -0.40730 170 5PX -0.40030 -0.40955 0.00488 -0.05639 0.59036 171 5PY 0.02300 0.35877 -0.27250 0.00833 0.76816 172 5PZ 0.32600 -0.60893 0.05787 0.03538 0.67647 136 137 138 139 140 V V V V V EIGENVALUES -- 0.77297 0.78738 0.82135 0.82937 0.84686 1 1 Cu 1S 0.00012 0.00078 0.02808 -0.00143 -0.10395 2 2S -0.00007 0.00170 0.04211 -0.00199 -0.22388 3 3S -0.02511 -0.00564 -1.06335 0.06326 1.34273 4 4PX -0.00158 0.00453 -0.01030 -0.00357 -0.00326 5 4PY -0.00003 -0.00064 -0.00425 0.00094 0.00700 6 4PZ 0.00108 -0.00314 -0.01344 0.00389 -0.00580 7 5PX -0.05467 0.04000 0.13857 0.15386 -0.00888 8 5PY 0.01233 -0.00595 0.25725 -0.03848 -0.17822 9 5PZ 0.04418 -0.02848 0.12458 -0.12472 0.01244 10 6PX -0.12695 0.03441 0.20550 -0.03376 -0.36582 11 6PY 0.03406 -0.00697 0.36407 -0.02590 -0.02616 12 6PZ 0.09177 -0.01929 0.20760 0.00167 -0.49850 13 7D 0 -0.08922 0.07440 0.11916 -0.00428 0.07464 14 7D+1 0.03963 -0.00978 0.05337 -0.01451 0.11296 15 7D-1 0.00655 0.15336 0.08534 -0.06232 -0.19048 16 7D+2 0.04842 -0.10549 0.18218 0.00856 0.00222 17 7D-2 -0.03092 -0.19242 0.01717 0.07885 -0.13337 18 8D 0 0.12851 -0.10053 -0.18166 0.01799 -0.12329 19 8D+1 -0.05892 0.00664 -0.07931 0.02071 -0.19498 20 8D-1 -0.02210 -0.25138 -0.14502 0.11780 0.34838 21 8D+2 -0.06531 0.16168 -0.28562 -0.02699 0.01067 22 8D-2 0.06153 0.32094 -0.03710 -0.14700 0.24072 23 2 Cu 1S 0.00237 0.02663 0.01248 0.04957 0.08924 24 2S -0.00878 0.04463 0.00322 0.08856 0.15058 25 3S -0.48164 -0.57136 0.10604 -1.39794 -2.32652 26 4PX -0.00201 -0.00083 -0.00053 -0.00523 -0.00430 27 4PY -0.00943 0.00856 -0.00648 -0.00058 -0.00225 28 4PZ -0.00393 0.00821 0.00123 -0.00164 0.00192 29 5PX 0.10726 0.07056 0.11404 0.21232 0.19233 30 5PY 0.09899 0.11450 0.23089 0.04656 0.59171 31 5PZ -0.11967 0.01302 -0.04088 -0.05989 0.07379 32 6PX 0.04838 0.04784 0.00606 -0.02701 0.23904 33 6PY 0.16851 -0.21189 -0.01778 0.51015 -0.04028 34 6PZ 0.05218 -0.36452 -0.33505 -0.12911 -0.40687 35 7D 0 -0.04648 0.12183 0.14121 -0.06859 0.07511 36 7D+1 -0.06246 0.03789 0.00120 -0.05972 -0.06935 37 7D-1 -0.07551 0.01548 0.01615 0.15754 0.03269 38 7D+2 -0.05565 0.07749 -0.08360 -0.06610 0.09480 39 7D-2 0.00782 0.07134 0.00180 0.03879 0.06907 40 8D 0 0.06886 -0.16248 -0.22079 0.11119 -0.10410 41 8D+1 0.10161 -0.05817 0.01215 0.11621 0.10847 42 8D-1 0.12066 -0.02649 0.00440 -0.28247 -0.07656 43 8D+2 0.07714 -0.10288 0.13679 0.10570 -0.12428 44 8D-2 -0.01516 -0.11688 -0.01838 -0.07359 -0.14119 45 3 Cu 1S -0.00547 -0.02764 0.01053 -0.04960 0.08489 46 2S 0.00387 -0.04635 -0.00192 -0.08642 0.14456 47 3S 0.56857 0.59218 0.16116 1.35220 -2.20620 48 4PX 0.00435 -0.00943 0.00005 0.00018 0.00210 49 4PY 0.00884 -0.00684 -0.00722 0.00244 -0.00309 50 4PZ 0.00199 -0.00087 0.00164 0.00496 -0.00308 51 5PX 0.13490 -0.01518 -0.03201 0.11092 0.16232 52 5PY -0.15160 -0.12913 0.26309 -0.12613 0.59433 53 5PZ -0.03930 -0.05655 0.04142 -0.17770 0.11811 54 6PX -0.08183 0.40423 -0.31984 0.05852 -0.44909 55 6PY -0.18681 0.14531 -0.01854 -0.49904 0.04751 56 6PZ -0.05786 0.05516 -0.07459 0.15987 0.06475 57 7D 0 0.05526 -0.02112 -0.09475 0.09554 -0.01115 58 7D+1 0.05584 -0.09144 0.10786 0.05165 -0.01603 59 7D-1 0.02767 -0.08107 -0.04198 -0.07411 0.10028 60 7D+2 0.06867 -0.10306 0.06793 0.01508 0.11536 61 7D-2 0.05900 0.04444 -0.02029 -0.14535 -0.04553 62 8D 0 -0.08424 0.02672 0.15952 -0.16979 0.03908 63 8D+1 -0.08890 0.13263 -0.16713 -0.09907 0.01950 64 8D-1 -0.03831 0.12924 0.06641 0.14146 -0.18829 65 8D+2 -0.10127 0.13136 -0.09227 -0.01449 -0.15700 66 8D-2 -0.09955 -0.05799 0.06575 0.24757 0.04860 67 4 Cu 1S 0.00088 0.00009 -0.06176 0.00317 0.01012 68 2S 0.00120 0.00026 -0.04348 0.00202 0.02905 69 3S 0.02473 -0.00235 5.39320 -0.33329 -1.97798 70 4PX -0.01742 0.00093 0.02748 0.01080 -0.01244 71 4PY 0.00250 -0.00016 -0.03542 0.00029 0.02075 72 4PZ 0.01255 -0.00072 0.04458 -0.01201 -0.02150 73 5PX 0.57842 -0.02764 -0.54963 -0.65298 -0.01617 74 5PY -0.10423 0.00684 -0.03375 0.11733 0.32394 75 5PZ -0.40200 0.01940 -0.63702 0.52450 -0.13004 76 6PX 0.66345 0.06806 -0.22400 0.37545 0.49914 77 6PY -0.08579 -0.01704 0.16079 -0.06088 0.83459 78 6PZ -0.45399 -0.05321 -0.36542 -0.23444 0.48506 79 7D 0 -0.02348 -0.01737 0.06087 -0.21450 0.05735 80 7D+1 -0.00390 0.00821 -0.01656 0.08983 -0.04466 81 7D-1 -0.08572 0.00533 -0.03399 -0.01748 -0.00941 82 7D+2 0.04899 0.00577 0.13907 0.10907 0.12498 83 7D-2 0.10946 -0.01187 -0.07060 -0.02198 -0.04856 84 8D 0 0.01447 0.02997 -0.09815 0.33594 -0.10913 85 8D+1 0.02003 -0.01466 0.05310 -0.14556 0.03594 86 8D-1 0.15422 -0.01233 -0.02502 0.01331 0.06075 87 8D+2 -0.07470 -0.00847 -0.26431 -0.15841 -0.19044 88 8D-2 -0.20676 0.02514 0.07620 0.06360 0.10315 89 5 Cu 1S 0.03569 -0.02124 0.11275 -0.08885 -0.04340 90 2S 0.09602 -0.04722 0.23267 -0.17323 -0.07864 91 3S -0.52647 0.23940 -1.95158 1.60296 1.06545 92 4PX -0.00848 -0.00726 -0.00596 0.00002 0.00185 93 4PY 0.01163 -0.00359 0.00938 -0.00075 -0.01439 94 4PZ -0.01136 0.00003 0.00255 -0.00763 -0.00114 95 5PX 0.02963 0.01810 0.14910 -0.06779 0.09858 96 5PY -0.08830 0.03102 -0.06630 0.25032 0.32276 97 5PZ -0.11202 0.01382 -0.44265 0.32118 0.21699 98 6PX -0.06412 -0.07055 0.27053 -0.21393 -0.22148 99 6PY 0.08011 0.04719 -0.20320 0.23376 -0.17322 100 6PZ -0.21863 -0.00009 -0.20744 -0.08796 0.23348 101 7D 0 -0.15183 -0.04479 -0.01141 -0.18885 0.13778 102 7D+1 0.00619 -0.15258 -0.08254 0.12871 0.06695 103 7D-1 0.09466 -0.16177 0.13040 -0.05448 0.04249 104 7D+2 0.06469 0.19108 0.02379 -0.00028 0.17301 105 7D-2 -0.04260 -0.04770 -0.00349 -0.04421 -0.00754 106 8D 0 0.21387 0.07193 -0.00119 0.30184 -0.22376 107 8D+1 -0.00795 0.25655 0.15299 -0.22141 -0.12183 108 8D-1 -0.16333 0.26894 -0.22430 0.10214 -0.07873 109 8D+2 -0.09744 -0.29297 -0.04725 -0.01566 -0.31583 110 8D-2 0.05353 0.06810 0.00494 0.05754 0.02112 111 6 Cu 1S 0.00074 0.00110 0.01242 0.00020 -0.11346 112 2S 0.00068 0.00196 -0.02595 0.00384 -0.17208 113 3S -0.03317 -0.02248 -0.06956 -0.00267 2.61920 114 4PX 0.01373 0.00855 0.00608 -0.00431 -0.00675 115 4PY -0.00227 -0.00130 -0.00594 0.00108 0.00661 116 4PZ -0.00939 -0.00602 0.01059 0.00201 -0.01147 117 5PX 0.05821 0.15388 -0.21936 0.19826 0.36918 118 5PY -0.01232 -0.02593 0.05692 -0.03257 0.28614 119 5PZ -0.05045 -0.11245 -0.33529 -0.10828 0.45565 120 6PX -0.14208 -0.40640 -0.07620 -0.50696 0.39710 121 6PY 0.00531 0.06219 -0.27989 0.10192 0.41574 122 6PZ 0.09532 0.27956 0.02497 0.35637 0.47088 123 7D 0 -0.10999 -0.12119 0.02649 -0.12650 -0.02125 124 7D+1 0.05791 0.06198 0.08922 0.05439 0.01833 125 7D-1 0.07174 0.06239 -0.12923 0.04618 -0.09691 126 7D+2 0.02585 0.03738 -0.03917 0.05323 -0.07485 127 7D-2 -0.12807 -0.11661 -0.07483 -0.08018 -0.04418 128 8D 0 0.15446 0.15360 -0.05531 0.18706 0.03431 129 8D+1 -0.08299 -0.08182 -0.18229 -0.07930 -0.03319 130 8D-1 -0.11209 -0.10112 0.21539 -0.08720 0.19551 131 8D+2 -0.03136 -0.03831 0.07259 -0.07232 0.13600 132 8D-2 0.19456 0.17750 0.11943 0.14167 0.09392 133 7 Cu 1S -0.03365 0.02040 0.12492 0.07079 -0.04517 134 2S -0.09266 0.04527 0.25789 0.13602 -0.08200 135 3S 0.48345 -0.23077 -2.15423 -1.31509 1.09697 136 4PX 0.00580 -0.00154 0.00669 0.00653 -0.00433 137 4PY -0.01063 0.00498 0.00789 -0.00141 -0.01379 138 4PZ 0.01358 0.00621 -0.00618 0.00317 0.00403 139 5PX 0.12063 -0.01296 -0.51898 -0.30350 0.24390 140 5PY 0.05667 -0.03433 0.00609 -0.18569 0.30456 141 5PZ -0.00883 -0.01863 -0.00380 -0.01128 0.11508 142 6PX 0.17044 -0.03174 -0.32077 0.00691 0.25036 143 6PY -0.10582 -0.02793 -0.13020 -0.18131 -0.24602 144 6PZ 0.15985 0.06855 0.22803 0.22686 -0.08676 145 7D 0 -0.10274 -0.09495 -0.04870 -0.14116 0.11650 146 7D+1 0.10992 0.19130 -0.07686 0.02746 0.07627 147 7D-1 -0.02732 0.02392 0.06103 0.04161 0.05811 148 7D+2 0.03831 -0.06252 0.09566 0.16711 0.18313 149 7D-2 -0.10842 0.20164 0.08899 -0.04997 -0.01544 150 8D 0 0.14576 0.13505 0.09218 0.24228 -0.22337 151 8D+1 -0.15741 -0.30975 0.13098 -0.03405 -0.12113 152 8D-1 0.05644 -0.03811 -0.10463 -0.05515 -0.10221 153 8D+2 -0.04249 0.09186 -0.18304 -0.26771 -0.31521 154 8D-2 0.17479 -0.33324 -0.14662 0.06364 0.01869 155 8 C 1S -0.00114 0.00006 -0.03872 0.00314 0.03446 156 2S 0.01326 -0.00168 1.06398 -0.07273 -0.65713 157 3S -0.02711 0.00278 -1.69719 0.11978 1.36876 158 4PX 0.10682 0.00057 0.00268 0.02228 0.02024 159 4PY -0.01654 0.00008 0.00008 -0.00437 -0.00560 160 4PZ -0.07579 -0.00073 0.00317 -0.01412 0.03021 161 5PX -0.84808 0.05071 0.25523 0.40227 -0.04374 162 5PY 0.13473 -0.00909 0.10035 -0.07697 0.17891 163 5PZ 0.59968 -0.03789 0.25426 -0.31598 -0.08618 164 9 O 1S 0.00044 -0.00004 0.00164 -0.00029 -0.00533 165 2S -0.00356 0.00012 0.02929 0.00033 0.04554 166 3S 0.00288 0.00000 0.14991 -0.01252 -0.16753 167 4PX -0.48344 0.03955 0.08189 0.23235 0.01751 168 4PY 0.07833 -0.00745 -0.05783 -0.03345 0.19636 169 4PZ 0.34101 -0.02950 0.08587 -0.17411 -0.01575 170 5PX 0.93154 -0.07637 -0.17312 -0.48839 -0.04077 171 5PY -0.15225 0.01493 -0.08763 0.08478 -0.30950 172 5PZ -0.65589 0.05655 -0.13074 0.36321 0.00067 141 142 143 144 145 V V V V V EIGENVALUES -- 0.86178 0.87068 0.87193 0.90054 0.90564 1 1 Cu 1S 0.00407 0.12051 -0.01254 0.03014 0.00062 2 2S 0.00732 0.17039 -0.01898 0.05321 0.00091 3 3S -0.06470 -3.18233 0.29965 0.61114 -0.02284 4 4PX -0.00613 -0.00954 0.00642 -0.00111 -0.01064 5 4PY 0.00070 -0.01911 0.00091 0.01409 0.00167 6 4PZ 0.00388 -0.01081 -0.00327 -0.00452 0.00750 7 5PX 0.20100 0.40800 -0.24493 -0.01999 -0.04173 8 5PY -0.01316 0.82986 -0.04522 0.08005 -0.00025 9 5PZ -0.13008 0.45555 0.10864 -0.03843 0.04188 10 6PX -0.23188 0.20222 0.15120 -0.14548 -0.22049 11 6PY 0.04150 0.07065 -0.03052 -0.18247 0.04259 12 6PZ 0.18410 0.22933 -0.15056 -0.15942 0.15234 13 7D 0 -0.19057 -0.04641 0.23508 -0.03411 -0.08625 14 7D+1 0.09258 0.08000 -0.12049 -0.10673 0.03541 15 7D-1 0.06880 -0.07492 -0.09970 0.04829 0.00472 16 7D+2 0.07010 -0.20620 -0.05480 0.02763 0.04847 17 7D-2 -0.13746 0.04218 0.19896 0.01556 -0.02610 18 8D 0 0.34895 0.07459 -0.42284 0.08062 0.14063 19 8D+1 -0.16998 -0.17680 0.22196 0.19645 -0.05949 20 8D-1 -0.12736 0.11949 0.19264 -0.11139 -0.01955 21 8D+2 -0.12749 0.37438 0.09400 -0.02724 -0.07661 22 8D-2 0.25237 -0.09352 -0.37248 -0.05178 0.05814 23 2 Cu 1S 0.08424 0.04002 -0.03032 0.07001 -0.05882 24 2S 0.11316 0.04027 -0.04480 0.09517 -0.09210 25 3S -2.00645 -0.51299 0.57601 -1.93800 2.12269 26 4PX -0.00028 -0.00010 0.00055 -0.01737 -0.00704 27 4PY -0.00801 -0.00598 -0.00831 -0.00390 0.00824 28 4PZ 0.00573 0.00556 -0.01069 0.00801 -0.01885 29 5PX 0.29415 0.09298 -0.07776 0.08934 -0.21597 30 5PY 0.11143 0.62745 0.35220 0.69932 -0.40383 31 5PZ -0.50308 -0.00202 0.50582 -0.72733 0.25093 32 6PX 0.66558 0.41128 -0.15033 0.09425 0.02752 33 6PY -0.03747 0.32674 -0.43196 0.23361 -0.23781 34 6PZ -0.15032 0.38879 -0.32309 -0.16398 0.34271 35 7D 0 -0.03702 -0.04522 0.14288 0.06698 -0.12310 36 7D+1 -0.00581 -0.05798 0.07084 -0.04257 0.13987 37 7D-1 -0.06848 -0.12622 0.01157 -0.14722 0.00148 38 7D+2 0.06767 -0.01557 0.06967 -0.15373 0.17603 39 7D-2 0.06908 -0.04691 0.03477 0.02555 0.04315 40 8D 0 0.03658 0.09986 -0.21190 -0.14183 0.19715 41 8D+1 0.01611 0.10487 -0.14482 0.10048 -0.27281 42 8D-1 0.11216 0.25432 -0.01611 0.31197 0.00929 43 8D+2 -0.11681 0.05404 -0.10475 0.31222 -0.32002 44 8D-2 -0.12195 0.07267 -0.07354 -0.06274 -0.05248 45 3 Cu 1S -0.08474 0.04959 0.02511 0.07292 0.05525 46 2S -0.11534 0.05402 0.04087 0.09799 0.08830 47 3S 2.04183 -0.73633 -0.53151 -2.00873 -2.00997 48 4PX -0.00369 0.00629 0.01100 0.01260 0.01321 49 4PY 0.00837 -0.00599 0.00747 -0.00843 -0.00799 50 4PZ -0.00302 0.00315 0.00156 -0.01245 0.01461 51 5PX 0.51813 -0.03145 -0.55996 -0.57098 -0.18225 52 5PY -0.22429 0.58985 -0.34188 0.80750 0.43524 53 5PZ -0.09248 -0.00637 -0.04780 -0.26653 0.06874 54 6PX 0.37003 0.33404 0.26386 -0.13310 -0.25945 55 6PY -0.10648 0.42462 0.33469 0.28789 0.24677 56 6PZ -0.56401 0.51333 0.10613 -0.01492 -0.17695 57 7D 0 -0.05245 -0.01290 -0.03533 -0.15099 -0.22635 58 7D+1 0.02569 -0.09012 -0.10715 0.06068 -0.00777 59 7D-1 -0.06843 -0.08737 -0.02140 -0.08467 -0.10120 60 7D+2 0.02871 -0.07217 -0.09669 -0.06742 0.06134 61 7D-2 0.08442 -0.09084 0.04854 -0.11875 -0.00014 62 8D 0 0.07833 0.03849 0.06844 0.31805 0.41777 63 8D+1 -0.03309 0.16106 0.18904 -0.11913 0.03821 64 8D-1 0.12232 0.16349 0.04068 0.16602 0.15302 65 8D+2 -0.02677 0.15664 0.11835 0.13602 -0.09288 66 8D-2 -0.14521 0.18099 -0.07896 0.25985 -0.00743 67 4 Cu 1S -0.00152 -0.04832 0.00437 0.04412 0.00104 68 2S 0.00135 0.00660 -0.00059 0.22917 -0.00295 69 3S 0.16528 3.90803 -0.36647 0.48314 -0.12217 70 4PX -0.01782 0.00139 0.00022 0.01618 0.00244 71 4PY 0.00138 -0.04696 0.00442 -0.02151 0.00036 72 4PZ 0.01422 0.01175 -0.00145 0.02704 -0.00268 73 5PX 0.63532 0.12240 -0.01379 -1.13387 -0.11401 74 5PY -0.05912 1.39214 -0.12559 2.56955 -0.02832 75 5PZ -0.49569 -0.10888 0.01080 -2.19357 0.13539 76 6PX 0.33412 -0.07473 -0.11372 0.13752 0.28881 77 6PY -0.06242 0.19844 0.01578 0.41618 -0.03284 78 6PZ -0.26096 -0.08932 0.10646 0.10376 -0.18075 79 7D 0 0.00026 -0.05661 0.04189 0.01236 -0.10319 80 7D+1 0.00122 0.01279 -0.01657 0.05248 0.05322 81 7D-1 0.00221 0.00454 0.00575 -0.16665 0.04128 82 7D+2 -0.00360 -0.10853 -0.00893 -0.06517 0.04081 83 7D-2 -0.00480 0.03752 -0.00410 -0.09128 -0.08276 84 8D 0 0.03147 0.08186 -0.07384 -0.03240 0.19950 85 8D+1 -0.01655 -0.00802 0.02870 -0.13226 -0.09924 86 8D-1 -0.01361 -0.04810 -0.00221 0.40304 -0.05818 87 8D+2 -0.00742 0.13903 0.01944 0.15772 -0.08781 88 8D-2 0.02866 -0.07803 0.00219 0.21977 0.13109 89 5 Cu 1S 0.03002 0.01092 0.01059 -0.03823 0.05297 90 2S 0.01838 0.03555 0.02660 -0.06789 0.07082 91 3S -1.14785 0.02196 -0.00587 2.09754 -1.40944 92 4PX -0.00927 -0.00415 0.00014 0.00292 -0.00936 93 4PY 0.00804 0.00021 -0.00475 0.00075 -0.00057 94 4PZ 0.00314 -0.00163 0.00048 -0.01859 0.00072 95 5PX 0.34446 -0.01266 0.06416 -0.23909 0.21202 96 5PY -0.23451 0.16399 0.10111 0.17317 -0.34718 97 5PZ -0.23914 -0.07088 0.02120 0.18967 -0.08439 98 6PX 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-0.59607 0.11668 118 5PY -0.09243 0.00411 -0.04489 0.19878 -0.02013 119 5PZ -0.43707 -0.02150 -0.21530 -0.88783 -0.06350 120 6PX 0.18240 -0.04113 -0.31108 -0.23735 -0.03136 121 6PY -0.03307 0.70850 -0.00753 0.25433 0.00859 122 6PZ -0.15133 -0.14801 0.24859 -0.40692 0.02888 123 7D 0 -0.04396 0.03722 -0.05797 0.10731 -0.09558 124 7D+1 0.01692 -0.10748 0.04040 0.08969 0.01738 125 7D-1 -0.02610 -0.02588 0.04723 -0.06654 -0.15046 126 7D+2 0.03821 0.13410 -0.00606 0.09683 0.11806 127 7D-2 0.02353 -0.08157 -0.07417 -0.06546 0.17962 128 8D 0 0.02999 -0.07218 0.07883 -0.23138 0.14276 129 8D+1 -0.01165 0.16740 -0.05997 -0.20064 -0.01708 130 8D-1 0.03866 0.03464 -0.08806 0.12179 0.27374 131 8D+2 -0.04023 -0.23156 0.02596 -0.21035 -0.19761 132 8D-2 -0.04523 0.13233 0.13461 0.12590 -0.33737 133 7 Cu 1S -0.02579 0.00915 -0.01232 -0.04287 -0.05358 134 2S -0.01037 0.03073 -0.03194 -0.07605 -0.07049 135 3S 1.09240 0.01999 0.01424 2.18277 1.42884 136 4PX -0.00722 -0.00010 0.00044 -0.01825 -0.00363 137 4PY -0.00488 0.00038 0.00416 0.00373 0.00189 138 4PZ 0.00829 -0.00470 -0.00008 -0.00358 0.00804 139 5PX 0.35687 -0.03506 -0.01009 0.30446 0.22978 140 5PY 0.11777 0.15013 -0.12338 0.10405 0.28255 141 5PZ -0.27916 -0.06556 -0.03575 -0.18448 -0.21205 142 6PX -0.05164 -0.27401 0.02536 0.36140 0.29838 143 6PY 0.10921 -0.15505 0.12791 0.01352 0.10989 144 6PZ 0.14090 -0.20614 0.05105 -0.20749 0.07486 145 7D 0 -0.15991 0.15974 -0.18483 0.00050 -0.04058 146 7D+1 -0.19869 -0.00906 -0.08354 0.01712 0.07053 147 7D-1 0.18773 0.05327 -0.05264 0.08973 -0.17739 148 7D+2 -0.08560 0.05427 -0.13134 -0.05042 -0.01843 149 7D-2 -0.00288 0.14891 -0.12557 -0.02232 -0.06325 150 8D 0 0.28971 -0.28065 0.33197 0.01865 0.06389 151 8D+1 0.36084 -0.00002 0.16318 -0.03445 -0.14629 152 8D-1 -0.35412 -0.11035 0.09808 -0.18155 0.32635 153 8D+2 0.15693 -0.11887 0.23298 0.06573 0.02782 154 8D-2 0.01449 -0.26820 0.24306 0.03492 0.14887 155 8 C 1S -0.00110 -0.02842 0.00281 0.00986 0.00070 156 2S 0.01819 0.52435 -0.05133 -0.91725 -0.00435 157 3S -0.01272 -0.60089 0.06234 2.97634 -0.01480 158 4PX -0.03068 -0.01663 0.00040 -0.11765 0.03564 159 4PY 0.00561 -0.06261 0.00611 0.28505 -0.00505 160 4PZ 0.01831 -0.00853 0.00259 -0.23273 -0.02267 161 5PX -0.05162 -0.15439 -0.02510 -0.08454 0.13681 162 5PY 0.01240 -0.14589 0.02146 0.58575 -0.02736 163 5PZ 0.03367 -0.18765 0.04515 -0.26826 -0.08215 164 9 O 1S 0.00002 0.00539 -0.00051 -0.00775 -0.00005 165 2S 0.00082 0.00069 0.00017 -0.00643 -0.00036 166 3S 0.00137 -0.00361 -0.00070 -0.04655 0.00117 167 4PX 0.02324 -0.01064 -0.02377 0.03805 0.02362 168 4PY -0.00718 -0.13256 0.01822 0.31022 -0.00096 169 4PZ -0.01641 0.02477 0.01606 -0.02425 -0.01541 170 5PX -0.01866 0.08382 0.04506 -0.08829 -0.08791 171 5PY 0.00562 0.10806 -0.02244 -0.31056 0.01218 172 5PZ 0.01562 0.08179 -0.04664 -0.04587 0.05503 146 147 148 149 150 V V V V V EIGENVALUES -- 0.92289 0.94120 0.98713 1.03135 1.03479 1 1 Cu 1S -0.04993 -0.03159 0.23107 0.00070 -0.01336 2 2S -0.07142 -0.09982 0.44982 0.00185 -0.06669 3 3S 1.23388 -0.47348 -1.32998 -0.00010 0.17318 4 4PX 0.00209 -0.00439 -0.00843 0.01064 0.00771 5 4PY -0.00009 -0.01375 0.00433 -0.00170 -0.00533 6 4PZ 0.00334 -0.00319 -0.01253 -0.00774 0.01203 7 5PX -0.22726 0.01803 0.26204 -0.25519 -0.03597 8 5PY 0.02594 0.53021 0.09772 0.04102 0.03863 9 5PZ -0.32576 -0.08054 0.34689 0.18127 -0.05585 10 6PX -0.07769 0.09652 0.04515 0.11672 -0.05794 11 6PY -0.34996 0.01239 0.08307 -0.01834 -0.19355 12 6PZ -0.02491 0.14331 0.05252 -0.08376 -0.04409 13 7D 0 0.01697 -0.09748 0.04662 0.02681 -0.04989 14 7D+1 0.15798 0.02074 0.22055 0.01135 -0.17106 15 7D-1 -0.14158 -0.00090 0.08760 0.14460 -0.07094 16 7D+2 -0.11853 -0.17633 -0.04313 -0.07671 0.01120 17 7D-2 -0.04901 0.05696 0.10504 -0.18687 -0.07574 18 8D 0 -0.02199 0.20598 -0.10093 -0.05944 0.09234 19 8D+1 -0.28946 -0.04031 -0.46571 -0.02261 0.34486 20 8D-1 0.28966 -0.00601 -0.20346 -0.30600 0.13548 21 8D+2 0.24207 0.36862 0.08211 0.16394 -0.03819 22 8D-2 0.10422 -0.12399 -0.23163 0.39459 0.15252 23 2 Cu 1S 0.04162 0.06043 -0.03598 -0.09854 0.05716 24 2S 0.05915 0.05846 -0.06150 -0.18084 0.11425 25 3S -1.41784 -0.99472 0.39276 1.69549 -0.89679 26 4PX 0.00081 -0.00924 0.02258 0.00829 -0.00353 27 4PY -0.01623 -0.00333 -0.00103 0.01690 -0.00630 28 4PZ 0.00225 0.00854 0.00565 -0.01351 0.01046 29 5PX 0.12026 -0.05126 -0.00905 -0.23813 0.15381 30 5PY 0.18600 0.39748 0.23754 -0.14486 0.16260 31 5PZ -0.37671 -0.62258 -0.10888 0.37224 0.03082 32 6PX 0.05664 0.04371 0.29504 -0.41686 0.19017 33 6PY 0.29955 0.25441 0.05700 -0.04615 0.18256 34 6PZ -0.06734 -0.08165 0.08879 0.11963 0.11187 35 7D 0 0.01861 0.03753 -0.01912 -0.03132 -0.08854 36 7D+1 0.11406 -0.03048 0.06271 0.07790 -0.17089 37 7D-1 -0.01973 -0.09687 -0.03232 0.09926 -0.02928 38 7D+2 -0.12935 -0.04546 0.00677 -0.04280 -0.04738 39 7D-2 0.19698 0.00663 -0.04824 -0.16930 -0.00635 40 8D 0 -0.06320 -0.10492 0.06403 0.08011 0.19378 41 8D+1 -0.19580 0.07140 -0.11076 -0.16993 0.32946 42 8D-1 0.03552 0.21987 0.10972 -0.16956 0.03365 43 8D+2 0.22867 0.13035 -0.04417 0.08741 0.09822 44 8D-2 -0.37835 -0.01533 0.08517 0.34093 -0.01266 45 3 Cu 1S 0.04526 0.06294 -0.03798 0.09755 0.05960 46 2S 0.06439 0.05960 -0.06484 0.17870 0.11961 47 3S -1.54418 -1.10001 0.44181 -1.69269 -0.93253 48 4PX -0.00075 0.01084 -0.00241 0.01145 0.00971 49 4PY -0.01653 -0.00687 0.00335 -0.01953 -0.00849 50 4PZ 0.00452 -0.00486 0.02298 -0.00053 0.00118 51 5PX -0.36163 -0.49677 -0.03890 -0.39838 0.00618 52 5PY 0.28671 0.48261 0.23339 0.24387 0.18852 53 5PZ -0.04189 -0.31168 -0.08113 0.06472 0.13342 54 6PX -0.03997 -0.05546 0.01333 -0.23765 0.07403 55 6PY 0.32526 0.27683 0.10442 0.14587 0.20143 56 6PZ -0.02038 -0.02650 0.28034 0.33614 0.19799 57 7D 0 -0.08867 -0.05785 0.05901 -0.05154 -0.09981 58 7D+1 0.17621 0.01614 0.02592 -0.00386 -0.16493 59 7D-1 0.10958 -0.04788 -0.05268 0.12834 -0.00936 60 7D+2 -0.13479 -0.01799 -0.02464 -0.01099 -0.04887 61 7D-2 -0.01511 -0.08814 0.00442 -0.16594 -0.03330 62 8D 0 0.17790 0.15766 -0.14076 0.11852 0.19793 63 8D+1 -0.32975 -0.05296 -0.02377 0.01017 0.32519 64 8D-1 -0.21859 0.11665 0.09894 -0.26847 -0.01238 65 8D+2 0.22356 0.03948 0.06706 -0.00396 0.11333 66 8D-2 0.04321 0.19827 0.03925 0.31704 0.04412 67 4 Cu 1S -0.00772 -0.03364 0.06778 0.00240 -0.02584 68 2S 0.01140 0.29830 0.19265 0.00840 -0.10482 69 3S 0.97292 6.07453 -1.03958 -0.01824 0.08545 70 4PX -0.00167 0.01090 0.00226 -0.02010 0.00598 71 4PY -0.01309 -0.00839 -0.00168 0.00284 0.01772 72 4PZ 0.00010 0.01722 0.00327 0.01423 0.00515 73 5PX -0.00175 -0.79674 -0.51573 -0.02490 0.20580 74 5PY 0.56756 1.22821 1.34460 0.02567 -0.31832 75 5PZ -0.11264 -1.40476 -1.04384 -0.01484 0.36442 76 6PX -0.20004 -0.38265 0.33346 -0.01020 -0.06884 77 6PY -0.30434 -0.07969 -0.04055 0.00434 -0.09453 78 6PZ -0.22240 -0.53940 0.48519 0.01599 -0.07819 79 7D 0 -0.09907 0.00302 -0.02007 0.02165 -0.06661 80 7D+1 -0.07269 -0.03647 -0.03996 0.01733 -0.19704 81 7D-1 -0.03221 0.04338 -0.05229 0.16345 -0.08893 82 7D+2 -0.11939 0.04497 -0.02087 -0.08208 -0.00631 83 7D-2 0.00304 0.01564 -0.03083 -0.21955 -0.08799 84 8D 0 0.19098 0.00664 0.02708 -0.06371 0.13219 85 8D+1 0.12229 0.09054 0.02424 -0.02705 0.41668 86 8D-1 0.04435 -0.10914 0.23715 -0.32720 0.15207 87 8D+2 0.23555 -0.08750 0.10013 0.17742 -0.01235 88 8D-2 -0.02308 -0.04679 0.13183 0.43883 0.16849 89 5 Cu 1S 0.02045 -0.05642 0.15756 -0.00468 0.00653 90 2S 0.02050 -0.15863 0.31569 0.04210 0.03789 91 3S -0.66959 -0.40486 -0.17768 0.06501 -0.27659 92 4PX 0.00719 -0.00455 -0.00640 0.00187 -0.00457 93 4PY 0.00732 0.00284 0.00595 0.00869 0.00293 94 4PZ 0.00271 0.01730 -0.00503 -0.00172 -0.00559 95 5PX 0.15574 -0.04279 0.14305 -0.17680 0.15545 96 5PY -0.10189 0.02270 -0.17392 -0.01283 0.09006 97 5PZ -0.06392 -0.61169 0.09869 0.03179 0.09588 98 6PX 0.18962 0.02101 -0.05864 0.09687 0.02651 99 6PY 0.09543 0.10576 -0.16488 -0.02387 -0.06925 100 6PZ -0.16138 -0.14295 -0.03976 -0.11600 -0.16337 101 7D 0 -0.04553 0.25778 0.00488 -0.00744 -0.06057 102 7D+1 -0.06013 -0.04456 -0.13535 0.02835 -0.08266 103 7D-1 0.04989 -0.08567 0.05975 0.14003 -0.08585 104 7D+2 -0.03823 -0.07741 -0.04343 -0.05486 -0.00937 105 7D-2 0.10868 -0.04685 -0.20818 -0.08317 -0.08691 106 8D 0 0.09143 -0.52544 -0.00035 0.00458 0.12139 107 8D+1 0.12588 0.09558 0.28622 -0.07108 0.17314 108 8D-1 -0.09996 0.15946 -0.14426 -0.28029 0.19662 109 8D+2 0.05122 0.15500 0.08992 0.11207 0.00152 110 8D-2 -0.19418 0.09109 0.43274 0.15348 0.17825 111 6 Cu 1S -0.05684 0.12139 -0.06031 0.00075 -0.12794 112 2S -0.10057 0.11613 -0.11353 0.00063 -0.23618 113 3S 2.02555 -2.65624 0.81832 -0.02523 2.33777 114 4PX -0.00543 0.01497 -0.00639 -0.00474 -0.01336 115 4PY 0.01898 0.00192 -0.02069 0.00069 -0.00671 116 4PZ -0.01231 0.02053 -0.00500 0.00368 -0.01734 117 5PX 0.24875 -0.60798 -0.02080 -0.21774 0.36281 118 5PY 0.05012 0.12529 0.10455 0.03452 0.14211 119 5PZ 0.34222 -0.88900 -0.05886 0.13897 0.48688 120 6PX 0.19279 -0.29999 -0.02212 -0.19919 0.24379 121 6PY -0.08252 -0.02408 0.05932 0.02755 0.33516 122 6PZ 0.28812 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0.16528 142 6PX -0.17581 -0.10456 -0.05756 0.15162 -0.16856 143 6PY 0.15810 0.12781 -0.15914 -0.01343 -0.04024 144 6PZ 0.10510 -0.04395 -0.04617 -0.05410 -0.02229 145 7D 0 -0.07745 -0.14475 -0.06636 0.01192 -0.00692 146 7D+1 -0.03572 0.12754 -0.13637 -0.00080 -0.10788 147 7D-1 0.09814 -0.12107 -0.16490 0.03962 -0.09589 148 7D+2 -0.04822 0.14748 0.09240 -0.02302 -0.03155 149 7D-2 0.01628 -0.11236 0.08943 -0.16285 -0.05689 150 8D 0 0.13345 0.29753 0.13865 -0.02313 0.00241 151 8D+1 0.08746 -0.25608 0.29418 0.02181 0.22629 152 8D-1 -0.18575 0.23543 0.33412 -0.07014 0.19826 153 8D+2 0.07639 -0.30711 -0.19233 0.04420 0.05974 154 8D-2 -0.03017 0.21993 -0.20408 0.32313 0.14031 155 8 C 1S -0.01260 0.00011 0.01060 0.00047 -0.00723 156 2S 0.06691 0.28413 -0.93415 -0.01875 0.23398 157 3S 0.01864 -0.26096 2.34329 0.04172 -0.54969 158 4PX -0.01917 0.09733 -0.04135 0.05564 -0.02110 159 4PY -0.00882 -0.20646 0.06747 -0.00848 -0.00259 160 4PZ -0.02579 0.18442 -0.07179 -0.03750 -0.03073 161 5PX -0.17692 -0.28650 -0.15669 -0.02869 0.01617 162 5PY -0.15362 0.28581 0.49583 0.01373 -0.16202 163 5PZ -0.23716 -0.45489 -0.34354 0.01041 0.05919 164 9 O 1S 0.00481 -0.00133 -0.00264 -0.00002 0.00222 165 2S -0.03730 0.06556 -0.04292 -0.00146 -0.00979 166 3S 0.00910 -0.02382 -0.02516 0.00070 0.02708 167 4PX -0.04320 -0.10582 0.04120 -0.01644 -0.00664 168 4PY -0.10103 -0.17297 0.13813 0.00548 -0.04055 169 4PZ -0.04383 -0.10038 0.02178 0.01054 -0.00035 170 5PX 0.12986 0.25593 -0.07003 0.01315 0.02511 171 5PY 0.19023 0.06565 -0.13321 -0.00503 0.07378 172 5PZ 0.15699 0.33045 -0.06279 -0.00872 0.02045 151 152 153 154 155 V V V V V EIGENVALUES -- 1.05102 1.06751 1.08582 1.16856 1.18115 1 1 Cu 1S 0.00029 -0.01608 -0.01853 -0.19480 0.00639 2 2S 0.00064 -0.00937 -0.04846 -0.23569 0.00511 3 3S 0.00216 0.17365 -0.06232 4.43059 -0.19127 4 4PX 0.01397 -0.00094 -0.00221 0.02136 -0.00066 5 4PY -0.00219 -0.01296 -0.00981 0.03650 -0.00185 6 4PZ -0.00995 0.00206 -0.00119 0.02235 -0.00132 7 5PX -0.00658 -0.03602 0.04354 -0.90127 0.39360 8 5PY 0.00079 0.20083 0.18913 -0.82479 -0.01164 9 5PZ 0.00699 -0.10114 0.02488 -1.14559 -0.19994 10 6PX -0.00867 -0.07010 0.00270 -0.26155 -0.35549 11 6PY 0.00116 -0.08493 -0.07320 -0.10938 0.06182 12 6PZ 0.00169 -0.07682 0.01980 -0.31223 0.27266 13 7D 0 -0.00377 -0.08152 -0.05474 -0.03354 -0.07375 14 7D+1 0.01876 -0.12888 -0.05428 -0.15403 0.03447 15 7D-1 0.12162 0.15269 0.09497 -0.18451 -0.02076 16 7D+2 -0.04904 0.00217 -0.02577 0.00135 0.04999 17 7D-2 -0.16657 0.10108 0.06834 -0.14633 0.02690 18 8D 0 0.04361 0.17835 0.12530 0.11001 0.22770 19 8D+1 -0.05292 0.29128 0.12346 0.40670 -0.10541 20 8D-1 -0.24339 -0.32041 -0.21329 0.46394 0.05797 21 8D+2 0.07893 -0.00595 0.06045 0.01979 -0.15175 22 8D-2 0.34242 -0.20938 -0.15428 0.36219 -0.06433 23 2 Cu 1S 0.08072 0.02491 0.02610 0.00157 0.00280 24 2S 0.14021 0.05105 0.04412 0.06172 -0.13307 25 3S -1.74741 -0.49480 -0.38141 0.71880 -1.77168 26 4PX -0.00766 -0.00573 -0.01996 0.00039 -0.00177 27 4PY -0.00392 0.00115 0.01152 -0.00190 -0.01804 28 4PZ 0.00758 -0.01166 -0.00519 -0.01367 0.01464 29 5PX 0.30943 0.14181 0.08999 -0.49650 1.01807 30 5PY 0.20570 0.00620 0.10468 -1.14725 -0.26924 31 5PZ -0.20078 -0.08288 -0.07636 -0.91914 -0.95931 32 6PX 0.19705 0.06986 0.04629 -0.39126 0.86335 33 6PY 0.15275 0.06593 0.10014 -0.43650 -0.31998 34 6PZ -0.18646 -0.08354 -0.06144 -0.62731 -0.05927 35 7D 0 0.07637 -0.01656 0.00060 0.20656 0.09223 36 7D+1 -0.13525 -0.09776 -0.09152 -0.03622 -0.10285 37 7D-1 0.13393 0.13834 0.06491 -0.01982 0.04649 38 7D+2 -0.09051 -0.07714 0.01716 0.07483 0.10531 39 7D-2 0.18125 0.07255 0.07118 -0.09956 0.03141 40 8D 0 -0.14893 0.01192 -0.01114 -0.61021 -0.25211 41 8D+1 0.30689 0.20524 0.20200 0.07168 0.27934 42 8D-1 -0.28662 -0.27910 -0.12470 0.03529 -0.10266 43 8D+2 0.19529 0.15668 -0.00167 -0.20670 -0.33738 44 8D-2 -0.37900 -0.17734 -0.15233 0.25152 -0.11392 45 3 Cu 1S -0.08079 0.02511 0.02424 0.00040 -0.00390 46 2S -0.13894 0.05083 0.03857 0.06886 0.12555 47 3S 1.74994 -0.50798 -0.37649 0.85127 1.71985 48 4PX -0.00904 -0.00858 0.00397 -0.01377 -0.00961 49 4PY 0.00658 0.00175 0.00756 0.00158 0.02009 50 4PZ 0.00421 -0.00955 -0.02178 -0.00487 -0.00605 51 5PX 0.24636 -0.11742 -0.08601 -0.81024 1.33859 52 5PY -0.29386 0.05152 0.13151 -1.07074 0.00348 53 5PZ -0.17987 0.10494 0.04241 -0.66481 -0.58689 54 6PX 0.20113 -0.08887 -0.05230 -0.51490 0.43765 55 6PY -0.21563 0.09058 0.11019 -0.40149 0.15863 56 6PZ -0.09268 0.02182 0.01100 -0.59027 -0.77940 57 7D 0 0.21633 -0.13963 -0.05874 -0.00585 0.02406 58 7D+1 -0.00235 -0.05341 -0.06013 0.04925 0.04387 59 7D-1 -0.17685 0.09768 0.09363 -0.09068 -0.06801 60 7D+2 -0.04394 0.00380 0.03573 0.19957 -0.16844 61 7D-2 -0.04015 0.10602 0.01005 -0.06146 0.04483 62 8D 0 -0.46835 0.30166 0.15605 0.02261 -0.03337 63 8D+1 -0.01780 0.09472 0.11732 -0.18388 -0.12026 64 8D-1 0.37120 -0.22263 -0.18351 0.23115 0.21992 65 8D+2 0.08955 -0.01619 -0.06432 -0.57213 0.47133 66 8D-2 0.08882 -0.19958 -0.01402 0.15821 -0.16233 67 4 Cu 1S 0.00077 0.02411 0.01171 0.03516 -0.00144 68 2S 0.00020 0.10468 0.15768 0.08283 -0.00248 69 3S -0.03913 -0.19440 0.86483 -0.25172 0.02694 70 4PX -0.00535 -0.00225 0.00910 -0.01386 0.02500 71 4PY 0.00082 -0.01508 0.00033 -0.02807 -0.00278 72 4PZ 0.00343 -0.00049 0.01295 -0.01629 -0.01661 73 5PX 0.26083 -0.12063 -0.40001 -0.45319 0.87412 74 5PY -0.03326 0.69425 0.51796 -0.34832 -0.11323 75 5PZ -0.18235 -0.31667 -0.68019 -0.62950 -0.55989 76 6PX 0.15333 0.13136 -0.04390 -0.11530 0.24683 77 6PY -0.02030 0.14304 0.08231 -0.34477 -0.02302 78 6PZ -0.09417 0.15635 -0.08934 -0.10690 -0.17015 79 7D 0 0.06738 -0.04612 -0.04224 -0.07744 -0.13740 80 7D+1 -0.02375 0.04966 -0.18870 0.00304 0.06089 81 7D-1 0.02726 0.09325 0.10395 -0.02331 0.01104 82 7D+2 -0.04838 -0.07538 0.08689 -0.12572 0.07660 83 7D-2 -0.01972 0.09991 0.02849 0.02135 -0.05101 84 8D 0 -0.13927 0.09766 0.09115 0.23498 0.42265 85 8D+1 0.04753 -0.12541 0.40101 -0.01971 -0.18501 86 8D-1 -0.05983 -0.15203 -0.19035 0.07013 -0.01816 87 8D+2 0.10269 0.18761 -0.17119 0.38714 -0.24206 88 8D-2 0.04828 -0.19044 -0.04350 -0.06928 0.13490 89 5 Cu 1S -0.02242 -0.00327 -0.03448 0.11399 0.17249 90 2S -0.03829 -0.02143 -0.05996 0.14401 0.19135 91 3S 0.44715 -0.12079 0.12132 -2.09276 -3.73095 92 4PX 0.01089 0.00908 -0.00875 -0.01102 -0.02323 93 4PY 0.00071 0.01385 -0.00627 0.01374 0.02234 94 4PZ 0.00733 0.00427 0.01456 0.01663 0.02875 95 5PX -0.10109 0.02427 0.03539 0.22141 0.96062 96 5PY 0.14188 -0.20250 0.10284 -0.80795 -0.94538 97 5PZ -0.07820 -0.03688 -0.23653 -0.40994 -0.66254 98 6PX -0.09936 0.02164 -0.03147 0.36995 0.07102 99 6PY 0.10958 -0.05024 -0.03087 0.04673 -0.42820 100 6PZ 0.10491 0.01781 0.06365 0.09512 -0.05163 101 7D 0 0.02565 0.04572 0.00851 -0.00659 -0.02971 102 7D+1 0.06843 0.11601 -0.19724 -0.05833 -0.11451 103 7D-1 0.12199 0.16899 0.09554 0.11672 0.12890 104 7D+2 0.03993 -0.05998 0.07264 -0.09066 -0.00014 105 7D-2 0.14857 -0.06060 0.09885 -0.08291 -0.15994 106 8D 0 -0.04962 -0.09587 -0.02161 0.03107 0.09229 107 8D+1 -0.14905 -0.23887 0.42461 0.15086 0.28044 108 8D-1 -0.24515 -0.36702 -0.20937 -0.29397 -0.32627 109 8D+2 -0.11177 0.09721 -0.14710 0.26460 -0.00497 110 8D-2 -0.31378 0.14328 -0.23319 0.20806 0.43075 111 6 Cu 1S -0.00180 -0.04930 0.00284 0.01715 -0.00132 112 2S -0.00212 -0.08799 -0.03584 -0.10700 0.00405 113 3S 0.04301 0.97325 -0.47411 -2.06847 0.09866 114 4PX -0.00416 -0.00223 0.00055 0.01285 0.00856 115 4PY 0.00030 0.00505 0.02004 -0.01151 -0.00099 116 4PZ 0.00240 -0.00461 -0.00341 0.01980 -0.00739 117 5PX 0.02961 0.07713 -0.13566 -0.55622 1.27435 118 5PY -0.00293 0.08210 -0.06814 -0.80694 -0.15727 119 5PZ -0.00621 0.09097 -0.17153 -0.72158 -0.84390 120 6PX 0.03256 0.08523 -0.06691 -0.14628 0.74042 121 6PY -0.00478 0.01931 0.06556 -0.92580 -0.07473 122 6PZ -0.01424 0.11092 -0.10285 -0.08718 -0.50668 123 7D 0 0.04995 -0.04637 0.04280 0.00360 0.20451 124 7D+1 -0.02942 0.09886 -0.11496 -0.01078 -0.08258 125 7D-1 -0.05259 -0.06016 0.13482 0.10461 0.02909 126 7D+2 -0.00997 -0.15912 0.19051 0.02518 -0.12247 127 7D-2 0.08342 0.01668 0.02658 0.06362 0.00437 128 8D 0 -0.09740 0.09200 -0.11330 -0.00355 -0.58833 129 8D+1 0.05429 -0.21853 0.23412 -0.00222 0.24406 130 8D-1 0.08366 0.14209 -0.27777 -0.31351 -0.04977 131 8D+2 0.02913 0.33773 -0.43312 -0.04394 0.33707 132 8D-2 -0.13675 -0.02677 -0.04207 -0.20796 -0.05764 133 7 Cu 1S 0.02396 -0.00458 -0.03358 0.09905 -0.18373 134 2S 0.04075 -0.02325 -0.05916 0.12619 -0.20738 135 3S -0.46350 -0.10368 0.10408 -1.76998 3.86553 136 4PX -0.00344 0.00402 0.01518 0.01837 -0.03977 137 4PY -0.00123 0.01468 -0.00986 0.00789 -0.01388 138 4PZ -0.01243 0.00848 -0.00232 -0.00517 0.01517 139 5PX 0.01156 -0.08154 -0.21387 -0.52086 1.14944 140 5PY -0.13853 -0.18214 0.13685 -0.62038 0.68035 141 5PZ 0.15069 0.03137 -0.05850 0.11253 -0.80355 142 6PX -0.15159 0.00122 0.06234 -0.00870 0.15127 143 6PY -0.07630 -0.04509 -0.04892 0.13673 0.38641 144 6PZ 0.07279 0.03251 0.00120 0.35651 -0.13941 145 7D 0 -0.01322 0.00591 -0.09062 -0.08360 0.03605 146 7D+1 -0.07929 0.10680 -0.14752 -0.03680 0.14978 147 7D-1 -0.18520 -0.01878 0.15172 -0.04857 0.08926 148 7D+2 -0.01920 0.04468 0.09883 0.01939 -0.09328 149 7D-2 -0.05942 0.19881 -0.00929 0.12205 -0.14510 150 8D 0 0.05193 -0.03422 0.20791 0.23590 -0.07321 151 8D+1 0.16298 -0.20868 0.30919 0.09336 -0.38916 152 8D-1 0.39577 0.03909 -0.34200 0.13033 -0.24655 153 8D+2 0.04445 -0.11678 -0.20637 -0.02342 0.22935 154 8D-2 0.10954 -0.42354 0.02022 -0.31736 0.37923 155 8 C 1S -0.00002 0.00549 0.01572 -0.01024 0.00073 156 2S -0.01023 -0.37149 -0.37858 -0.14292 0.00948 157 3S 0.02289 0.90095 0.80664 0.26986 -0.02359 158 4PX 0.01363 0.00535 0.05199 -0.02045 0.00028 159 4PY -0.00017 -0.08067 -0.22705 0.08101 -0.00594 160 4PZ -0.01101 0.02786 0.13006 -0.04690 0.00583 161 5PX -0.16329 -0.12903 -0.10604 -0.14664 0.18835 162 5PY 0.02757 0.11198 0.25556 -0.04369 -0.03299 163 5PZ 0.10989 -0.21691 -0.20519 -0.22838 -0.12000 164 9 O 1S 0.00017 0.00359 0.00104 0.00927 -0.00048 165 2S -0.00284 -0.03450 0.02554 -0.15585 0.00864 166 3S 0.00168 -0.06113 -0.15300 0.20944 -0.01172 167 4PX -0.02705 0.00327 -0.01220 -0.02717 0.03784 168 4PY 0.00625 0.00327 -0.04189 -0.04081 -0.00636 169 4PZ 0.01934 0.00288 -0.00577 -0.03774 -0.02634 170 5PX 0.08286 0.02355 0.05332 0.08036 -0.12524 171 5PY -0.01439 -0.03987 -0.08510 0.20880 0.01376 172 5PZ -0.05941 0.04687 0.09262 0.08833 0.08750 156 157 158 159 160 V V V V V EIGENVALUES -- 1.22092 1.25200 1.28837 1.29298 1.29615 1 1 Cu 1S 0.04511 0.00216 -0.00019 0.01455 -0.00104 2 2S 0.06935 0.00307 0.00099 -0.02284 -0.00811 3 3S -0.15121 -0.01628 0.01646 -0.66215 -0.07097 4 4PX -0.00272 0.00378 -0.01830 -0.00546 -0.01289 5 4PY 0.01213 -0.00078 0.00345 -0.01457 0.00065 6 4PZ -0.00650 -0.00289 0.01300 -0.00540 0.00751 7 5PX 0.05675 0.18033 0.22376 -0.06263 0.71782 8 5PY -0.11967 -0.01791 -0.05915 0.75543 -0.03822 9 5PZ 0.12534 -0.12535 -0.14757 -0.14941 -0.50765 10 6PX 0.00756 -0.07342 -0.11840 0.21884 -0.65867 11 6PY 0.04504 0.00775 0.03265 -0.42902 0.06460 12 6PZ -0.00945 0.05791 0.06645 0.29975 0.49828 13 7D 0 0.05392 -0.02237 -0.11596 -0.10081 -0.21829 14 7D+1 -0.01423 0.00640 0.04969 -0.02185 0.08048 15 7D-1 0.00591 -0.01673 -0.02749 0.01835 -0.07088 16 7D+2 0.09504 0.01782 0.08095 -0.17960 0.12764 17 7D-2 -0.02838 0.01943 0.00411 0.05741 0.05262 18 8D 0 -0.13493 0.07622 0.30241 0.28968 0.64586 19 8D+1 0.02050 -0.02295 -0.13056 0.08009 -0.23681 20 8D-1 -0.01322 0.05453 0.07451 -0.05688 0.20573 21 8D+2 -0.22459 -0.05974 -0.21364 0.50871 -0.37668 22 8D-2 0.06730 -0.06119 -0.01361 -0.16340 -0.14910 23 2 Cu 1S 0.00261 -0.03447 0.03994 0.00558 0.03757 24 2S -0.01783 -0.09591 0.10222 0.00773 0.11151 25 3S -0.53273 -0.56379 0.23043 -0.09441 0.41813 26 4PX 0.00197 0.00648 0.00011 -0.01290 0.03192 27 4PY -0.01235 -0.02358 0.00190 0.02277 0.02200 28 4PZ 0.01542 0.02090 -0.01829 0.01732 0.01540 29 5PX 0.06366 -0.00595 -0.00609 0.52788 -1.01758 30 5PY 0.42926 0.27611 -0.22679 -0.34795 -0.49554 31 5PZ -0.12297 -0.55564 0.25365 -0.20403 -0.33742 32 6PX 0.16469 0.19562 -0.11648 -0.24979 0.55678 33 6PY 0.02875 -0.01726 0.10240 0.43723 0.49111 34 6PZ 0.05626 0.20034 -0.07351 0.30537 0.62253 35 7D 0 -0.01058 0.12163 0.00180 0.04245 0.19921 36 7D+1 -0.07568 0.04588 0.19880 0.01492 0.12013 37 7D-1 -0.09359 -0.22757 0.09612 0.01291 0.09576 38 7D+2 -0.08305 -0.08358 0.05824 0.15431 -0.11030 39 7D-2 -0.00794 0.12905 0.15567 0.11364 -0.09492 40 8D 0 0.03966 -0.32579 -0.01830 -0.12135 -0.56784 41 8D+1 0.19164 -0.11908 -0.53824 -0.07009 -0.35067 42 8D-1 0.23660 0.58743 -0.26359 -0.02248 -0.28069 43 8D+2 0.21603 0.20264 -0.16696 -0.44228 0.31473 44 8D-2 0.01718 -0.33686 -0.42753 -0.35256 0.24818 45 3 Cu 1S 0.00268 0.03720 -0.04332 0.01045 -0.03554 46 2S -0.01784 0.10098 -0.11040 0.02143 -0.10770 47 3S -0.55855 0.54437 -0.23287 -0.06988 -0.44710 48 4PX 0.01179 -0.01196 0.01489 0.02666 -0.00386 49 4PY -0.01448 0.02454 -0.00640 0.01980 -0.02235 50 4PZ 0.00968 -0.01629 0.00717 -0.00244 -0.03271 51 5PX -0.06701 0.44698 -0.16236 -0.43237 0.01313 52 5PY 0.44948 -0.33506 0.28700 -0.25704 0.60868 53 5PZ -0.06255 0.23907 -0.15076 0.28361 1.05325 54 6PX 0.02238 -0.11250 -0.02048 0.48752 -0.40721 55 6PY 0.06720 0.01909 -0.11386 0.37680 -0.43770 56 6PZ 0.17722 -0.24577 0.16680 -0.05354 -0.67631 57 7D 0 -0.09300 0.08191 -0.11759 0.05723 0.07158 58 7D+1 -0.02670 -0.16907 -0.16618 0.04494 -0.19841 59 7D-1 -0.06099 0.01027 -0.18848 0.11462 0.12845 60 7D+2 -0.05727 0.07145 0.02478 0.08951 -0.10267 61 7D-2 -0.08091 0.22820 -0.06983 -0.05268 -0.13512 62 8D 0 0.23636 -0.20585 0.32102 -0.17666 -0.20805 63 8D+1 0.07234 0.44053 0.45891 -0.15744 0.57135 64 8D-1 0.15268 -0.02034 0.52248 -0.35148 -0.34871 65 8D+2 0.15657 -0.17022 -0.05441 -0.23477 0.29013 66 8D-2 0.20015 -0.59474 0.18286 0.16231 0.38945 67 4 Cu 1S -0.03854 -0.00281 0.00154 -0.03161 -0.00155 68 2S -0.07797 -0.00619 0.00465 -0.10010 -0.00507 69 3S 0.46221 0.02611 -0.00274 -0.02727 -0.01066 70 4PX -0.00867 -0.00659 0.01123 -0.02638 0.01485 71 4PY 0.00958 0.00132 -0.00075 -0.03294 -0.00605 72 4PZ -0.01443 0.00291 -0.00610 -0.02852 -0.01439 73 5PX 0.05962 0.20809 -0.36187 0.70797 -0.52758 74 5PY 0.24062 -0.01222 0.02655 0.93479 0.18834 75 5PZ 0.01975 -0.13468 0.21574 0.74575 0.48242 76 6PX -0.09030 -0.21453 0.23957 -0.33487 0.37160 77 6PY -0.11026 0.02432 -0.01514 -0.52548 -0.10696 78 6PZ -0.10713 0.14039 -0.14794 -0.30232 -0.30610 79 7D 0 0.12570 -0.06602 0.06656 0.12303 0.10609 80 7D+1 0.27483 0.06201 -0.03970 0.05257 -0.03656 81 7D-1 0.05698 0.15919 -0.04672 -0.09050 -0.00699 82 7D+2 0.04381 -0.03142 -0.01785 0.15153 -0.03233 83 7D-2 0.06400 -0.24508 0.09454 -0.09802 0.02118 84 8D 0 -0.32357 0.17257 -0.18676 -0.34286 -0.30587 85 8D+1 -0.72743 -0.16683 0.11152 -0.14277 0.10673 86 8D-1 -0.14246 -0.44000 0.13353 0.25162 0.02105 87 8D+2 -0.09906 0.09301 0.04899 -0.42651 0.09434 88 8D-2 -0.16899 0.67501 -0.26810 0.27428 -0.06285 89 5 Cu 1S 0.01218 -0.00145 -0.00073 -0.00118 -0.01064 90 2S 0.02789 -0.00974 0.01139 0.00378 0.01110 91 3S -0.07876 0.15467 0.03456 0.07472 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-0.00100 0.06729 0.00345 112 2S 0.21665 0.01040 -0.00344 0.20546 0.01279 113 3S 0.76909 0.00542 -0.01351 0.62330 0.06632 114 4PX -0.02212 -0.00073 -0.01320 -0.01329 -0.01796 115 4PY 0.01795 0.00014 0.00346 -0.03030 0.00039 116 4PZ -0.03560 -0.00064 0.00963 -0.01482 0.01048 117 5PX 0.41478 0.00868 0.04417 0.43329 -0.16297 118 5PY -0.13053 0.00150 -0.04473 0.75839 0.09363 119 5PZ 0.60373 0.01528 -0.04748 0.45717 0.18101 120 6PX -0.06219 0.14229 -0.14384 -0.11294 0.03935 121 6PY 0.27129 -0.02064 0.04882 -0.43535 -0.03604 122 6PZ -0.13978 -0.11146 0.10641 -0.07936 -0.03536 123 7D 0 -0.18358 0.00372 0.02874 -0.02823 -0.00620 124 7D+1 -0.29992 -0.01015 0.01807 -0.16915 -0.02650 125 7D-1 0.08616 0.01274 0.16881 -0.11364 -0.09873 126 7D+2 -0.07726 -0.00943 -0.08883 0.02701 0.04232 127 7D-2 0.05455 -0.01286 -0.21344 -0.14036 0.11327 128 8D 0 0.44836 -0.00875 -0.06708 0.07299 0.03917 129 8D+1 0.74040 0.02577 -0.05539 0.47713 0.07101 130 8D-1 -0.20764 -0.03159 -0.46460 0.30543 0.31754 131 8D+2 0.18579 0.02275 0.23889 -0.08811 -0.14963 132 8D-2 -0.12941 0.03221 0.58994 0.39469 -0.36828 133 7 Cu 1S 0.01059 0.00339 0.00016 -0.00324 0.00737 134 2S 0.02574 0.01311 -0.01202 0.00159 -0.01514 135 3S -0.03696 -0.15976 -0.02928 0.09707 -0.28940 136 4PX 0.01230 0.01514 -0.00410 0.00261 0.00229 137 4PY 0.00078 -0.01571 -0.00840 0.00457 0.01351 138 4PZ 0.01492 0.00044 -0.01615 0.01253 0.00690 139 5PX -0.15034 -0.17782 -0.05703 0.20663 -0.23772 140 5PY 0.17417 0.16571 0.24425 -0.54355 -0.11524 141 5PZ -0.03982 -0.01219 0.20408 -0.22394 -0.24834 142 6PX 0.01888 0.01842 0.06478 -0.16163 0.09357 143 6PY -0.03890 -0.10147 -0.14923 0.44486 -0.06017 144 6PZ 0.02301 -0.04328 -0.04099 0.14776 0.29837 145 7D 0 -0.06288 0.00743 0.12217 -0.09418 -0.10126 146 7D+1 0.01021 0.00696 -0.04334 0.04768 0.06870 147 7D-1 0.01296 0.00179 -0.00684 0.00474 0.00442 148 7D+2 0.07204 0.14315 0.06594 -0.12097 -0.00898 149 7D-2 -0.01672 -0.02835 -0.04168 0.09688 0.02335 150 8D 0 0.13971 -0.02561 -0.31477 0.26293 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0.07572 -0.00082 17 7D-2 0.00205 0.08039 -0.01238 -0.01953 0.05454 18 8D 0 0.23985 0.38865 -0.00054 -0.17565 -0.04738 19 8D+1 -0.10930 0.07815 -0.02478 -0.12715 -0.17184 20 8D-1 0.06023 -0.09148 -0.00291 -0.00783 -0.21357 21 8D+2 -0.18474 0.54835 -0.06436 -0.18309 -0.02262 22 8D-2 -0.00683 -0.22464 0.04385 0.04162 -0.16574 23 2 Cu 1S -0.02718 0.00358 0.00122 -0.02930 -0.03302 24 2S -0.06904 0.00532 -0.01439 -0.07825 0.03752 25 3S -0.05283 -0.05639 -0.24001 -0.55166 0.97288 26 4PX -0.00864 0.01182 0.00974 -0.01288 0.01688 27 4PY 0.01908 0.00697 -0.01868 0.00457 0.01261 28 4PZ 0.01753 0.00508 -0.01627 0.01231 -0.02388 29 5PX 0.06513 -0.51762 -0.53068 0.21239 0.07459 30 5PY -0.85803 -0.20228 0.85536 0.21535 -0.33648 31 5PZ -0.97592 -0.51145 0.31516 -0.45233 0.77706 32 6PX -0.04526 0.42791 0.52809 -0.06632 -0.32535 33 6PY 1.05029 0.11162 -0.82399 0.04062 -0.37706 34 6PZ 1.09594 0.40260 -0.42133 0.28986 -0.00013 35 7D 0 0.16697 0.09603 -0.02522 0.04409 -0.06662 36 7D+1 -0.10791 -0.00612 0.09702 -0.05366 -0.00659 37 7D-1 0.00336 0.01848 -0.01662 -0.19704 -0.05670 38 7D+2 0.10981 -0.09520 -0.19019 0.02427 0.03756 39 7D-2 -0.06598 -0.07377 0.03251 0.06064 -0.00730 40 8D 0 -0.48727 -0.28724 0.06929 -0.12834 0.22013 41 8D+1 0.32902 0.03383 -0.28991 0.13627 0.02838 42 8D-1 0.00144 -0.03666 0.06958 0.59223 0.17156 43 8D+2 -0.30837 0.27896 0.55468 -0.07025 -0.12836 44 8D-2 0.22112 0.23500 -0.09616 -0.17757 0.01483 45 3 Cu 1S 0.02903 0.00363 0.00014 -0.02992 -0.03514 46 2S 0.07429 0.00810 0.01967 -0.07900 0.03301 47 3S 0.05984 -0.01851 0.25853 -0.51866 0.97215 48 4PX -0.02378 0.00498 0.02113 0.01635 -0.02511 49 4PY -0.01503 0.00967 0.01285 0.00096 0.01891 50 4PZ 0.00417 0.01083 -0.00823 -0.00782 0.00549 51 5PX 1.14100 -0.39884 -0.56817 -0.43085 0.62247 52 5PY 0.70537 -0.30638 -0.64271 0.29294 -0.41914 53 5PZ 0.19393 -0.51774 0.61021 -0.00648 0.38052 54 6PX -1.26602 0.31581 0.68086 0.30267 0.02561 55 6PY -0.87062 0.20641 0.60393 -0.00446 -0.43730 56 6PZ -0.21952 0.41659 -0.54480 0.03794 -0.22364 57 7D 0 0.02357 -0.06963 0.09736 -0.02278 0.04989 58 7D+1 0.02612 0.03964 -0.12629 0.00730 -0.05008 59 7D-1 0.03026 -0.08230 0.06107 -0.01088 -0.00909 60 7D+2 -0.22822 0.06379 0.14122 -0.01765 -0.04424 61 7D-2 0.06962 0.03159 -0.06204 -0.20861 -0.04096 62 8D 0 -0.07822 0.20945 -0.28067 0.05421 -0.16080 63 8D+1 -0.08964 -0.10353 0.37487 -0.03825 0.17001 64 8D-1 -0.12198 0.26024 -0.18907 0.03822 0.01470 65 8D+2 0.66807 -0.19557 -0.41561 0.06343 0.13978 66 8D-2 -0.20620 -0.08128 0.16120 0.61802 0.12778 67 4 Cu 1S 0.00013 -0.00774 0.00054 0.04749 0.34296 68 2S 0.00038 -0.01942 0.00141 0.19553 0.78210 69 3S 0.00359 -0.08482 0.00683 -0.02369 -1.24060 70 4PX -0.01643 -0.02949 -0.04662 0.00835 0.01756 71 4PY 0.00453 -0.04515 0.01151 -0.04217 -0.02037 72 4PZ 0.01355 -0.02118 0.03703 0.02115 0.02931 73 5PX 0.42295 0.78868 1.39669 -0.15006 0.02908 74 5PY -0.11730 1.23279 -0.33621 1.29391 -0.71064 75 5PZ -0.34352 0.53190 -1.08739 -0.51625 0.22794 76 6PX -0.43712 -0.39182 -0.96172 -0.06305 -0.04131 77 6PY 0.09322 -0.56372 0.18925 -0.25659 -0.29909 78 6PZ 0.32919 -0.18408 0.70933 -0.01792 0.01865 79 7D 0 -0.07885 0.10101 -0.27210 -0.00032 0.03181 80 7D+1 0.02956 -0.01243 0.10716 -0.09468 0.04355 81 7D-1 -0.01809 -0.04712 -0.04755 0.28468 -0.05606 82 7D+2 0.03897 0.23061 0.13853 0.15347 0.00708 83 7D-2 0.01156 -0.09853 0.01142 0.14203 -0.03855 84 8D 0 0.22521 -0.28588 0.78827 -0.00860 -0.10283 85 8D+1 -0.08463 0.03620 -0.31040 0.25957 -0.12681 86 8D-1 0.04977 0.13774 0.13903 -0.79981 0.14496 87 8D+2 -0.11107 -0.65653 -0.40355 -0.44381 -0.04346 88 8D-2 -0.03037 0.28247 -0.03517 -0.39492 0.10776 89 5 Cu 1S 0.00241 -0.02537 -0.02156 -0.10482 -0.40440 90 2S 0.01591 -0.05629 -0.07318 -0.20289 -0.83098 91 3S 0.21570 -0.04478 -0.17515 0.38847 -0.60701 92 4PX -0.00357 -0.01038 -0.00027 0.00272 -0.00439 93 4PY -0.00662 -0.00365 0.00546 0.00965 0.00937 94 4PZ -0.00056 -0.00030 0.00657 -0.02001 0.00790 95 5PX -0.71767 0.35188 -0.01127 -0.02222 0.35182 96 5PY 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0.00533 -0.00370 116 4PZ -0.02520 -0.00807 -0.00652 -0.00325 -0.02090 117 5PX -1.57537 -0.05570 -0.25417 -0.01916 0.27062 118 5PY 0.26914 -1.11801 0.14105 0.07346 -0.16977 119 5PZ 1.09110 0.32717 0.15251 -0.03832 0.41326 120 6PX 1.58704 0.14951 0.28326 0.10179 0.29523 121 6PY -0.26418 0.83330 -0.12269 0.13903 -0.13400 122 6PZ -1.11239 -0.14276 -0.19643 0.10294 0.48161 123 7D 0 -0.27310 -0.09531 -0.01272 0.01700 -0.01257 124 7D+1 0.11683 0.06938 0.00601 0.07223 0.01003 125 7D-1 -0.01489 0.16607 0.00451 -0.02123 0.00908 126 7D+2 0.15363 -0.12339 0.01423 -0.02431 -0.02678 127 7D-2 -0.06005 0.16263 -0.04800 -0.00070 0.01607 128 8D 0 0.79878 0.27536 0.04068 -0.05123 0.03631 129 8D+1 -0.34019 -0.20153 -0.01869 -0.21187 -0.03922 130 8D-1 0.05433 -0.49065 -0.00998 0.07145 -0.03044 131 8D+2 -0.45331 0.35283 -0.04382 0.07318 0.08345 132 8D-2 0.16213 -0.47687 0.13744 0.00912 -0.05217 133 7 Cu 1S -0.00102 -0.02141 0.02178 -0.10618 -0.39133 134 2S -0.01242 -0.04404 0.07219 -0.20505 -0.80435 135 3S -0.20663 -0.03061 0.16818 0.39380 -0.69354 136 4PX 0.00052 0.00110 -0.00712 -0.01704 0.01078 137 4PY 0.00711 -0.00579 -0.00293 0.01213 0.00740 138 4PZ 0.00291 -0.00890 0.00032 -0.00563 -0.00316 139 5PX 0.10679 0.26635 0.62060 0.28975 -0.59620 140 5PY 0.27528 -0.11607 -0.47076 -0.35420 -0.24951 141 5PZ 0.73003 0.54075 0.25676 0.15861 0.23305 142 6PX -0.16960 -0.27640 -0.50548 -0.12067 0.13845 143 6PY -0.39158 -0.01047 0.48825 0.23639 0.18788 144 6PZ -0.69607 -0.39376 -0.20438 -0.12931 0.02870 145 7D 0 0.15958 0.15415 0.06233 0.02850 -0.04287 146 7D+1 -0.08853 -0.08842 -0.03061 -0.02340 -0.02464 147 7D-1 -0.02816 -0.02748 -0.03084 -0.05681 0.00998 148 7D+2 0.00625 -0.05334 -0.20969 -0.15264 0.05219 149 7D-2 -0.02442 -0.00714 0.03778 0.06176 0.03000 150 8D 0 -0.52153 -0.45472 -0.17141 -0.07833 0.12218 151 8D+1 0.27660 0.25517 0.10243 0.07220 0.07540 152 8D-1 0.08948 0.08120 0.09621 0.14911 -0.01934 153 8D+2 -0.04605 0.16950 0.64204 0.43098 -0.15281 154 8D-2 0.08737 0.00471 -0.12460 -0.18096 -0.08799 155 8 C 1S 0.00004 -0.00120 0.00009 0.01805 -0.02383 156 2S 0.00295 -0.07187 0.00738 -0.40806 0.20686 157 3S -0.00689 0.23693 -0.01774 0.85662 -1.99432 158 4PX -0.00699 0.02264 0.01042 0.09281 -0.07086 159 4PY -0.00179 0.06396 -0.00929 -0.31632 0.35588 160 4PZ 0.00367 0.01753 -0.01118 0.20737 -0.18784 161 5PX -0.02616 -0.15360 -0.14843 -0.02340 0.22847 162 5PY 0.01131 -0.16499 0.04257 0.04107 0.26448 163 5PZ 0.02950 -0.15537 0.13211 -0.04657 0.24437 164 9 O 1S 0.00001 -0.00208 0.00007 0.00589 0.05186 165 2S 0.00060 0.01674 0.00060 0.00548 -1.15655 166 3S -0.00047 -0.04956 0.00043 -0.26496 2.17651 167 4PX 0.00334 -0.00858 -0.01275 0.01362 0.03252 168 4PY -0.00088 0.00623 0.00127 -0.06842 0.01951 169 4PZ -0.00142 -0.01238 0.01082 0.03700 0.03818 170 5PX -0.00216 0.02535 0.04432 -0.02524 -0.21552 171 5PY -0.00194 0.04558 -0.01252 -0.09163 0.62714 172 5PZ -0.00028 0.01991 -0.03527 -0.01195 -0.45175 166 167 168 169 170 V V V V V EIGENVALUES -- 1.68386 1.80449 1.84356 2.21539 2.24845 1 1 Cu 1S -0.38859 -0.00191 0.40894 -0.01207 0.31943 2 2S -0.80404 -0.00418 0.89082 -0.02653 0.67837 3 3S -0.25160 0.01414 0.28308 0.08774 -1.22982 4 4PX -0.00863 -0.00892 0.01573 0.00565 0.00717 5 4PY -0.00390 0.00125 0.01390 -0.00080 0.00373 6 4PZ -0.01104 0.00613 0.01947 -0.00486 0.00871 7 5PX 0.40887 0.27286 -0.57862 0.06034 -0.34979 8 5PY 0.35779 -0.03750 -0.65444 -0.00305 -0.16994 9 5PZ 0.50094 -0.19131 -0.69891 -0.01430 -0.48057 10 6PX -0.12325 0.10958 0.25112 0.30743 0.12241 11 6PY 0.03927 -0.02019 0.24023 -0.04846 -0.19608 12 6PZ -0.18325 -0.08028 0.31783 -0.23439 0.18352 13 7D 0 0.03739 -0.08563 -0.02208 -0.04947 -0.04766 14 7D+1 0.04175 0.03132 -0.05861 0.02560 -0.04487 15 7D-1 0.04810 -0.04010 -0.06137 0.00239 -0.01869 16 7D+2 0.05204 0.06148 -0.01220 0.02926 -0.04536 17 7D-2 0.02399 0.03390 -0.04552 -0.01550 -0.00424 18 8D 0 -0.11958 0.26009 0.07044 0.17666 0.17035 19 8D+1 -0.13798 -0.09376 0.19971 -0.09030 0.16154 20 8D-1 -0.16204 0.13000 0.20262 -0.00492 0.08069 21 8D+2 -0.16413 -0.18987 0.03111 -0.10582 0.16499 22 8D-2 -0.08358 -0.11430 0.15361 0.04869 0.02349 23 2 Cu 1S 0.28144 -0.88208 -0.50437 -0.55133 -0.72665 24 2S 0.64610 -1.85554 -1.05930 -1.06148 -1.34896 25 3S -0.34815 1.36110 0.63039 1.05905 1.10537 26 4PX 0.00428 -0.01562 -0.01202 -0.00297 0.02162 27 4PY 0.01048 -0.01581 -0.01078 0.02540 0.02631 28 4PZ -0.01433 0.01271 0.00573 0.00771 -0.00066 29 5PX 0.08294 0.48705 0.43242 0.43489 -0.14308 30 5PY -0.32714 0.83660 0.21008 -0.21464 -0.35561 31 5PZ 0.22320 -0.40846 -0.50125 -0.41663 -0.27949 32 6PX -0.09594 -0.43645 -0.37581 -1.32928 -0.03682 33 6PY -0.02083 -0.52333 -0.13888 1.22289 -0.07185 34 6PZ -0.12267 0.10501 0.10072 0.22542 0.81914 35 7D 0 -0.03271 -0.02665 0.01995 0.02907 0.06463 36 7D+1 -0.00144 -0.06174 0.01445 -0.02013 0.00905 37 7D-1 -0.01964 0.04063 0.01667 -0.00289 -0.01750 38 7D+2 0.07534 -0.02882 0.02533 0.06371 -0.02035 39 7D-2 0.00322 0.02693 0.08543 0.01092 -0.01735 40 8D 0 0.10307 0.08824 -0.07633 -0.10261 -0.23121 41 8D+1 0.01562 0.20301 -0.05821 0.07660 -0.03064 42 8D-1 0.09023 -0.15594 -0.06577 0.00514 0.03897 43 8D+2 -0.25130 0.11534 -0.07994 -0.22423 0.07051 44 8D-2 -0.01370 -0.08425 -0.29432 -0.04648 0.05366 45 3 Cu 1S 0.30477 0.88774 -0.48698 0.63649 -0.65078 46 2S 0.69403 1.86444 -1.02341 1.21849 -1.20013 47 3S -0.41642 -1.38895 0.59193 -1.23644 1.04039 48 4PX -0.01285 -0.01340 0.00649 -0.01212 -0.00426 49 4PY 0.01330 0.01977 -0.01380 -0.02624 0.02798 50 4PZ -0.00237 0.00767 -0.00767 0.00174 0.01637 51 5PX 0.11452 0.36872 -0.53908 0.56859 -0.19907 52 5PY -0.34894 -0.95399 0.35985 0.10259 -0.35080 53 5PZ 0.19584 -0.20453 0.20419 -0.28435 -0.21567 54 6PX -0.09445 -0.14082 0.15395 -0.94503 0.64919 55 6PY -0.00773 0.61698 -0.23343 -0.83946 -0.30301 56 6PZ -0.11098 0.30136 -0.29821 1.29834 0.41645 57 7D 0 0.06509 0.05428 0.00112 -0.02128 -0.02593 58 7D+1 -0.03554 0.04932 0.03434 0.00851 0.04685 59 7D-1 0.02207 -0.03708 0.08677 -0.02464 -0.03732 60 7D+2 0.00600 0.00990 0.00399 -0.05577 0.02765 61 7D-2 -0.03238 -0.02643 -0.01604 0.03412 -0.01360 62 8D 0 -0.21056 -0.19338 -0.00062 0.06921 0.09488 63 8D+1 0.12131 -0.15967 -0.13008 -0.03287 -0.16660 64 8D-1 -0.06722 0.12046 -0.29867 0.09828 0.11788 65 8D+2 -0.01885 -0.03484 -0.01596 0.19818 -0.10562 66 8D-2 0.13492 0.11224 0.04655 -0.11686 0.03243 67 4 Cu 1S -0.15601 0.00221 0.08148 -0.03526 0.62720 68 2S -0.30225 0.00578 0.21613 -0.06691 1.17383 69 3S 2.44360 -0.00596 0.70479 0.09796 -2.06055 70 4PX 0.02235 0.01542 0.01685 -0.03758 0.02641 71 4PY -0.02341 -0.00236 0.01581 0.00765 -0.04371 72 4PZ 0.03584 -0.01176 0.02049 0.02250 0.05193 73 5PX -0.45477 -0.49198 -0.51406 0.58499 0.19641 74 5PY 0.34245 0.08953 -0.51566 -0.03039 -0.60951 75 5PZ -0.68762 0.34873 -0.61180 -0.46425 0.34013 76 6PX -0.04346 -0.24363 -0.19188 0.23385 -0.11976 77 6PY 0.63682 0.02766 -0.33597 -0.08445 0.72546 78 6PZ -0.22659 0.17548 -0.19134 -0.13849 -0.37978 79 7D 0 -0.02194 0.02842 -0.01123 -0.04624 -0.00661 80 7D+1 0.02272 -0.00753 0.02895 0.01583 0.01655 81 7D-1 -0.09971 0.03588 0.02497 -0.01899 -0.00582 82 7D+2 -0.08929 -0.02751 -0.03023 0.03410 -0.01747 83 7D-2 -0.04077 -0.03943 0.02920 0.01483 0.00455 84 8D 0 0.07063 -0.09819 0.02902 0.16032 0.02609 85 8D+1 -0.09105 0.02414 -0.12575 -0.05590 -0.04606 86 8D-1 0.35938 -0.13927 -0.10145 0.06914 -0.02725 87 8D+2 0.31254 0.10175 0.10102 -0.11674 0.04311 88 8D-2 0.14888 0.15743 -0.11302 -0.04902 -0.04191 89 5 Cu 1S -0.50465 0.50019 -0.35508 -1.03015 -0.42755 90 2S -1.07012 1.07099 -0.75408 -1.93631 -0.74725 91 3S -0.46773 -0.08770 -0.27814 3.37135 0.15263 92 4PX -0.01408 0.01315 -0.01789 0.02232 0.01130 93 4PY 0.01142 -0.02250 0.01137 -0.01694 -0.01803 94 4PZ 0.01095 -0.01050 0.00659 -0.02172 -0.00977 95 5PX 0.61755 -0.43182 0.71702 0.07588 0.08854 96 5PY -0.66976 0.92738 -0.32101 -0.21277 -0.00726 97 5PZ -0.55754 0.54383 -0.44456 -0.01531 0.00760 98 6PX -0.12729 0.18829 -0.04666 0.07536 -0.01777 99 6PY 0.00417 -0.38195 0.29076 0.60550 -0.21367 100 6PZ 0.03324 -0.15538 0.12278 -0.43560 -0.04411 101 7D 0 -0.04442 0.03754 -0.02257 0.00555 0.04488 102 7D+1 -0.04309 0.02382 -0.05313 0.01129 -0.02460 103 7D-1 0.05253 -0.07358 0.00909 0.00900 0.01023 104 7D+2 -0.00557 0.07519 0.08189 0.01718 0.00738 105 7D-2 -0.06019 0.05357 -0.06948 -0.01809 0.02608 106 8D 0 0.13938 -0.11803 0.06859 -0.00817 -0.14858 107 8D+1 0.14507 -0.07990 0.18167 -0.02916 0.08378 108 8D-1 -0.18299 0.24369 -0.02868 -0.04102 -0.03190 109 8D+2 0.02220 -0.24549 -0.25257 -0.05499 -0.02023 110 8D-2 0.19707 -0.18318 0.22516 0.08432 -0.07906 111 6 Cu 1S 0.26612 -0.00957 1.06959 0.05181 -0.95077 112 2S 0.58925 -0.02201 2.23585 0.09258 -1.72673 113 3S -0.22315 -0.01442 -1.47728 -0.18352 2.93982 114 4PX -0.00872 -0.00305 -0.01749 -0.03441 -0.03098 115 4PY 0.00505 0.00076 -0.00888 0.00614 -0.00661 116 4PZ -0.01300 0.00323 -0.02293 0.02799 -0.03840 117 5PX 0.10114 -0.16475 0.70513 0.58907 0.27322 118 5PY -0.40547 0.02060 0.29486 -0.08949 -0.17227 119 5PZ 0.23016 0.08602 0.95661 -0.46327 0.35995 120 6PX 0.02770 -0.14017 -0.37994 -1.47541 0.33473 121 6PY 0.12723 0.02822 -0.50954 0.20589 0.47394 122 6PZ 0.03320 0.09752 -0.44825 0.98423 0.55363 123 7D 0 -0.01259 -0.00681 -0.00461 0.09028 0.00604 124 7D+1 0.05005 0.01079 0.02318 -0.03869 0.00418 125 7D-1 0.04190 0.05504 -0.06869 0.00438 -0.01988 126 7D+2 -0.04209 -0.01900 -0.04290 -0.04807 -0.01087 127 7D-2 0.04664 -0.07675 -0.03314 0.02093 -0.01057 128 8D 0 0.03315 0.02754 0.01350 -0.31477 -0.01821 129 8D+1 -0.19352 -0.03873 -0.10048 0.13409 -0.00653 130 8D-1 -0.13427 -0.19105 0.23343 -0.01471 0.05334 131 8D+2 0.14472 0.06394 0.15573 0.16790 0.03244 132 8D-2 -0.15610 0.26786 0.10674 -0.07216 0.02859 133 7 Cu 1S -0.52144 -0.47937 -0.35887 1.07366 -0.31262 134 2S -1.10720 -1.02774 -0.76293 2.01215 -0.53357 135 3S -0.45064 0.11091 -0.29032 -3.31393 -0.26139 136 4PX 0.01757 0.01775 0.01434 0.03185 -0.01211 137 4PY 0.00725 0.01768 0.00713 0.01026 -0.01257 138 4PZ -0.01109 -0.01150 -0.01614 -0.01648 0.00765 139 5PX -0.87594 -0.79368 -0.71581 0.09543 -0.02861 140 5PY -0.46496 -0.72007 -0.11470 0.18555 0.01356 141 5PZ 0.47955 0.32201 0.56551 -0.10673 0.08607 142 6PX 0.08967 0.27610 0.19195 0.31541 -0.04282 143 6PY -0.01983 0.30751 0.25215 -0.63505 -0.28310 144 6PZ -0.10204 -0.17561 -0.05024 0.16042 0.01918 145 7D 0 -0.00720 -0.05020 0.05148 -0.01674 -0.03200 146 7D+1 -0.07316 -0.03294 -0.09133 -0.00334 0.00871 147 7D-1 -0.03083 -0.03941 -0.02621 0.00452 0.02647 148 7D+2 0.00924 -0.02078 0.05734 -0.02206 0.03706 149 7D-2 0.06596 0.09894 0.00026 -0.00743 -0.01520 150 8D 0 0.03151 0.16429 -0.15133 0.05715 0.10866 151 8D+1 0.23884 0.10842 0.29713 -0.00652 -0.02815 152 8D-1 0.09823 0.13457 0.08935 -0.03264 -0.08119 153 8D+2 -0.03831 0.06043 -0.18575 0.07709 -0.12200 154 8D-2 -0.22399 -0.32597 -0.00003 0.04126 0.05069 155 8 C 1S 0.00706 -0.00012 -0.00302 -0.00068 0.00871 156 2S 0.22632 -0.00403 0.04643 -0.02842 0.30091 157 3S 1.54067 -0.02554 -0.60230 0.03465 0.28347 158 4PX -0.02791 -0.01346 -0.01869 0.05880 -0.01945 159 4PY -0.09716 0.00408 0.04512 -0.00763 -0.07373 160 4PZ -0.01276 0.01065 -0.03904 -0.03870 -0.01569 161 5PX 0.02350 0.20355 0.13043 -0.50392 0.48030 162 5PY -0.56745 -0.01739 0.39318 0.14764 -1.25733 163 5PZ 0.17100 -0.15450 0.09090 0.26936 1.03956 164 9 O 1S -0.05606 0.00099 0.01279 0.00086 -0.01967 165 2S 1.30286 -0.02559 -0.35631 -0.03676 0.82045 166 3S -2.41932 0.05061 0.76017 0.08417 -1.93487 167 4PX -0.01337 0.02740 0.01247 -0.06627 0.04794 168 4PY 0.04230 -0.00512 0.00803 0.01069 0.00029 169 4PZ -0.02967 -0.01961 0.01572 0.04152 0.07400 170 5PX 0.14024 -0.10711 -0.08474 0.24759 -0.11668 171 5PY -0.67382 0.02984 0.14293 -0.02294 -0.41066 172 5PZ 0.36624 0.06946 -0.15573 -0.16260 -0.08655 171 172 V V EIGENVALUES -- 2.36560 10.22375 1 1 Cu 1S -1.14103 -0.42824 2 2S -2.11938 -0.65378 3 3S 3.31418 -2.76628 4 4PX 0.02095 0.01023 5 4PY 0.02968 0.01250 6 4PZ 0.02341 0.01191 7 5PX 0.14667 0.32703 8 5PY 0.15455 0.86360 9 5PZ 0.17996 0.28440 10 6PX -0.23920 0.31890 11 6PY 0.47999 0.48897 12 6PZ -0.45465 0.33317 13 7D 0 -0.01477 0.00127 14 7D+1 0.00036 -0.00228 15 7D-1 0.00346 0.01749 16 7D+2 -0.02357 0.00917 17 7D-2 0.00954 0.00929 18 8D 0 0.04340 0.00282 19 8D+1 -0.02265 -0.00210 20 8D-1 -0.02785 -0.11223 21 8D+2 0.07896 -0.02893 22 8D-2 -0.04584 -0.07079 23 2 Cu 1S -0.56373 -1.08300 24 2S -1.08407 -1.71179 25 3S 0.39162 0.46916 26 4PX 0.00125 0.02229 27 4PY -0.02056 0.04797 28 4PZ -0.03400 -0.05347 29 5PX 0.30710 0.18910 30 5PY 0.87471 0.66760 31 5PZ 0.32134 -0.72060 32 6PX -0.70012 -0.02941 33 6PY -1.00490 0.01510 34 6PZ -1.39879 0.67117 35 7D 0 -0.07737 0.00182 36 7D+1 0.00757 0.00180 37 7D-1 -0.02326 -0.01674 38 7D+2 -0.04046 -0.00147 39 7D-2 0.02110 -0.00210 40 8D 0 0.27750 -0.02442 41 8D+1 -0.02264 0.02601 42 8D-1 0.08219 0.14266 43 8D+2 0.14715 0.02001 44 8D-2 -0.08576 -0.01995 45 3 Cu 1S -0.56021 -1.07243 46 2S -1.07734 -1.69668 47 3S 0.41353 0.42532 48 4PX -0.03587 -0.04659 49 4PY -0.01467 0.05781 50 4PZ -0.00786 -0.00491 51 5PX 0.36708 -0.59690 52 5PY 0.84836 0.78721 53 5PZ 0.27921 -0.16438 54 6PX -1.26227 0.63401 55 6PY -0.91150 -0.06327 56 6PZ -0.98856 0.19094 57 7D 0 -0.00289 0.00074 58 7D+1 -0.02071 0.00317 59 7D-1 0.00364 -0.00839 60 7D+2 -0.08997 -0.00473 61 7D-2 0.00367 -0.01410 62 8D 0 0.01648 0.03165 63 8D+1 0.07488 -0.01231 64 8D-1 -0.02220 0.04000 65 8D+2 0.32437 0.03576 66 8D-2 -0.01074 0.13794 67 4 Cu 1S 0.25409 -3.36927 68 2S 0.44810 -5.41618 69 3S -1.15435 12.36544 70 4PX -0.01189 0.03866 71 4PY -0.06383 -0.05238 72 4PZ -0.00235 0.06596 73 5PX 0.28018 -2.61814 74 5PY 1.32591 5.50781 75 5PZ 0.09523 -4.97526 76 6PX 0.35676 -0.70678 77 6PY 0.86143 -1.54805 78 6PZ 0.32632 -0.58565 79 7D 0 0.00869 0.00340 80 7D+1 -0.02202 0.02556 81 7D-1 -0.00528 -0.06815 82 7D+2 0.02822 -0.03354 83 7D-2 -0.01439 -0.03490 84 8D 0 -0.03138 -0.02867 85 8D+1 0.07277 -0.20064 86 8D-1 0.02696 0.50432 87 8D+2 -0.09462 0.25055 88 8D-2 0.05457 0.25661 89 5 Cu 1S 0.59462 -0.28216 90 2S 1.14678 -0.44121 91 3S -1.07806 -3.31950 92 4PX 0.00200 0.00642 93 4PY 0.00869 -0.01485 94 4PZ 0.00511 0.00806 95 5PX -0.23359 0.31671 96 5PY 0.28941 -0.28465 97 5PZ 0.25920 -0.78921 98 6PX 0.31651 0.27111 99 6PY -0.08061 0.30055 100 6PZ 0.49318 -1.03250 101 7D 0 0.01047 -0.00822 102 7D+1 0.02081 -0.00841 103 7D-1 0.00801 0.01378 104 7D+2 0.03947 0.00213 105 7D-2 -0.00583 -0.00133 106 8D 0 -0.04166 0.04162 107 8D+1 -0.07477 0.05986 108 8D-1 -0.02169 -0.09853 109 8D+2 -0.15132 -0.00837 110 8D-2 0.00933 0.02002 111 6 Cu 1S 0.41781 -0.85271 112 2S 0.81105 -1.36871 113 3S -0.77313 0.15582 114 4PX 0.00050 -0.03449 115 4PY -0.00983 0.00278 116 4PZ 0.00292 -0.04946 117 5PX 0.24985 -0.51848 118 5PY 0.65311 0.02806 119 5PZ 0.22027 -0.74428 120 6PX 0.05441 0.17299 121 6PY -1.53865 0.09365 122 6PZ 0.41957 0.20010 123 7D 0 0.01760 0.01149 124 7D+1 -0.01554 0.02092 125 7D-1 -0.04645 -0.00402 126 7D+2 0.02507 0.00378 127 7D-2 -0.04264 -0.00167 128 8D 0 -0.06424 -0.08798 129 8D+1 0.05400 -0.16172 130 8D-1 0.17948 0.01476 131 8D+2 -0.08697 -0.03316 132 8D-2 0.16100 0.00258 133 7 Cu 1S 0.60001 -0.27752 134 2S 1.15537 -0.43485 135 3S -1.12135 -3.30477 136 4PX 0.00664 0.00293 137 4PY 0.00805 -0.01435 138 4PZ 0.00249 0.01113 139 5PX 0.36382 -0.87501 140 5PY 0.18567 -0.09566 141 5PZ -0.16408 0.05725 142 6PX 0.33114 -0.98518 143 6PY -0.08096 0.49763 144 6PZ 0.48294 -0.17255 145 7D 0 0.03684 -0.00135 146 7D+1 0.00913 -0.01248 147 7D-1 0.00800 0.00550 148 7D+2 0.02456 0.00172 149 7D-2 0.00132 0.01142 150 8D 0 -0.13614 0.01737 151 8D+1 -0.03525 0.08069 152 8D-1 -0.03929 -0.02689 153 8D+2 -0.08982 -0.02438 154 8D-2 0.00723 -0.08306 155 8 C 1S -0.00116 -0.05004 156 2S -0.17321 -0.94005 157 3S 1.64232 4.22850 158 4PX 0.03995 -0.05949 159 4PY -0.07232 0.08461 160 4PZ 0.07754 -0.10315 161 5PX -0.20172 -1.35820 162 5PY -0.96542 3.40835 163 5PZ -0.06140 -2.71913 164 9 O 1S -0.01671 -0.01028 165 2S 0.69919 -0.48035 166 3S -1.71326 1.70965 167 4PX -0.01785 -0.09235 168 4PY -0.04810 0.11186 169 4PZ -0.01681 -0.15544 170 5PX 0.14825 0.42947 171 5PY -0.22670 -0.18162 172 5PZ 0.27764 0.63413 ALPHA DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.00577 2 2S 0.00951 0.20451 3 3S 0.00538 0.11585 0.19254 4 4PX 0.00173 0.01101 -0.01789 0.99605 5 4PY 0.00197 0.01274 -0.02662 0.00007 0.99565 6 4PZ 0.00206 0.01303 -0.01956 0.00042 0.00012 7 5PX -0.00084 -0.00965 -0.02576 0.01876 0.00322 8 5PY -0.00179 -0.01725 -0.03665 0.00245 0.02188 9 5PZ -0.00080 -0.01016 -0.02894 0.00053 0.00374 10 6PX -0.00063 0.00480 -0.00815 -0.00634 0.00413 11 6PY 0.00029 0.00198 -0.00467 0.00233 -0.00419 12 6PZ -0.00099 0.00650 -0.01072 0.00361 0.00475 13 7D 0 0.00011 0.00029 -0.00308 -0.00132 -0.00031 14 7D+1 0.00014 -0.00465 -0.03791 -0.00009 0.00033 15 7D-1 -0.00099 -0.01261 -0.07787 0.00014 -0.00035 16 7D+2 -0.00020 -0.00011 -0.00318 0.00062 -0.00126 17 7D-2 -0.00064 -0.00952 -0.05946 -0.00086 0.00028 18 8D 0 -0.00005 0.00082 -0.00106 -0.00025 0.00022 19 8D+1 0.00005 0.00069 -0.01138 -0.00019 0.00008 20 8D-1 -0.00034 -0.00168 -0.02453 0.00010 -0.00070 21 8D+2 -0.00020 0.00040 -0.00151 0.00020 0.00001 22 8D-2 -0.00018 -0.00127 -0.01853 -0.00089 -0.00037 23 2 Cu 1S -0.00119 -0.00392 -0.00246 0.00071 0.00068 24 2S -0.00437 0.06226 0.01193 0.00440 0.00452 25 3S -0.00311 -0.04110 -0.07959 -0.00655 0.01354 26 4PX -0.00012 -0.00510 -0.00728 0.00045 -0.00031 27 4PY -0.00026 -0.00547 0.00125 -0.00079 0.00049 28 4PZ -0.00222 -0.02563 -0.01613 -0.00066 -0.00066 29 5PX 0.00098 0.02156 0.02120 -0.00230 0.00231 30 5PY 0.00028 0.01861 0.00221 0.00428 -0.00441 31 5PZ -0.00069 0.04796 0.00766 0.00225 0.00576 32 6PX -0.00094 0.00399 -0.00668 0.00632 0.00084 33 6PY -0.00097 0.00352 -0.00713 -0.00033 0.00132 34 6PZ -0.00116 -0.01195 -0.02150 -0.00150 -0.00058 35 7D 0 -0.00055 0.00655 0.09195 0.00195 0.00832 36 7D+1 0.00203 0.02334 0.04701 -0.00858 0.00136 37 7D-1 0.00224 0.02849 0.09944 0.00125 -0.00577 38 7D+2 -0.00037 0.00046 -0.01165 -0.00274 0.00319 39 7D-2 0.00062 0.01120 0.03730 -0.00351 -0.00052 40 8D 0 0.00017 0.00184 0.03096 0.00095 0.00227 41 8D+1 0.00075 0.00741 0.01577 -0.00308 0.00040 42 8D-1 0.00093 0.01000 0.03439 0.00043 -0.00257 43 8D+2 -0.00008 -0.00039 -0.00432 -0.00092 0.00087 44 8D-2 0.00018 0.00463 0.01242 -0.00128 -0.00026 45 3 Cu 1S -0.00119 -0.00393 -0.00249 0.00085 0.00064 46 2S -0.00438 0.06150 0.01125 0.01080 0.00347 47 3S -0.00313 -0.04136 -0.07980 0.02552 0.00851 48 4PX -0.00206 -0.02321 -0.01251 0.00101 -0.00071 49 4PY 0.00004 -0.00271 0.00199 0.00092 0.00028 50 4PZ -0.00085 -0.01292 -0.01263 0.00097 -0.00069 51 5PX -0.00091 0.04117 0.00083 0.00059 0.00418 52 5PY 0.00055 0.01556 0.00536 -0.00222 -0.00374 53 5PZ 0.00063 0.03409 0.02200 0.00032 0.00444 54 6PX -0.00093 -0.01128 -0.01866 0.00818 -0.00227 55 6PY -0.00093 0.00586 -0.00503 -0.00085 0.00186 56 6PZ -0.00113 -0.00097 -0.01257 -0.00151 0.00148 57 7D 0 0.00071 0.00644 -0.02800 -0.00234 0.00040 58 7D+1 0.00133 0.02186 0.09276 0.01188 0.00239 59 7D-1 0.00115 0.01819 0.05379 0.00238 -0.00311 60 7D+2 -0.00056 0.00492 0.07059 0.01014 0.00447 61 7D-2 0.00247 0.02553 0.06977 0.00339 -0.00770 62 8D 0 0.00019 0.00143 -0.00979 0.00036 -0.00001 63 8D+1 0.00067 0.00713 0.03120 0.00169 0.00090 64 8D-1 0.00040 0.00691 0.01819 0.00073 -0.00137 65 8D+2 0.00013 0.00114 0.02390 0.00013 0.00141 66 8D-2 0.00092 0.00886 0.02442 0.00073 -0.00291 67 4 Cu 1S -0.00114 -0.00129 -0.00460 0.00015 0.00011 68 2S -0.00195 0.07098 0.05391 0.00192 0.00853 69 3S -0.00454 -0.02042 -0.07272 0.00893 0.03859 70 4PX -0.00042 -0.00546 -0.00521 0.00075 0.00050 71 4PY -0.00190 -0.02602 -0.01248 -0.00094 0.00066 72 4PZ -0.00020 -0.00222 -0.00502 -0.00042 0.00082 73 5PX -0.00069 0.01163 -0.00348 -0.00326 0.00083 74 5PY -0.00121 0.06087 -0.01323 0.00527 -0.00148 75 5PZ -0.00072 0.00389 -0.00176 0.00317 0.00032 76 6PX 0.00038 -0.00133 -0.00357 -0.00196 -0.00086 77 6PY 0.00053 -0.00235 -0.00937 -0.00093 0.00776 78 6PZ 0.00041 -0.00177 -0.00348 0.00206 -0.00343 79 7D 0 0.00058 0.00436 -0.00880 -0.00059 -0.00410 80 7D+1 0.00082 0.01945 0.04800 -0.00175 0.00299 81 7D-1 0.00111 0.00269 0.04430 0.00264 0.00543 82 7D+2 0.00078 -0.00474 -0.03303 -0.00650 -0.00595 83 7D-2 0.00064 0.00525 0.04706 -0.00338 0.00710 84 8D 0 0.00018 0.00150 -0.00323 0.00013 -0.00002 85 8D+1 0.00023 0.00651 0.01610 -0.00066 0.00083 86 8D-1 0.00052 0.00096 0.01477 0.00059 0.00079 87 8D+2 0.00031 -0.00156 -0.01158 -0.00194 0.00009 88 8D-2 0.00030 0.00184 0.01594 -0.00144 0.00100 89 5 Cu 1S 0.00052 0.00028 0.00108 0.00002 -0.00095 90 2S 0.00035 -0.01864 0.01817 -0.00593 0.00219 91 3S 0.00132 0.02509 0.02774 0.00352 -0.01300 92 4PX -0.00005 -0.00613 0.00356 0.00004 -0.00011 93 4PY 0.00089 -0.00014 0.00656 -0.00022 0.00008 94 4PZ 0.00077 -0.00378 0.00963 0.00017 -0.00048 95 5PX 0.00019 0.01619 0.00430 -0.00098 0.00154 96 5PY -0.00005 0.00158 -0.00261 0.00247 -0.00338 97 5PZ 0.00061 0.01728 0.01024 0.00014 -0.00316 98 6PX 0.00032 -0.00388 0.00363 -0.00167 0.00052 99 6PY 0.00027 0.00662 0.00784 0.00044 -0.00412 100 6PZ 0.00071 0.00678 0.01007 0.00231 -0.00146 101 7D 0 -0.00056 -0.00799 -0.02628 0.00041 -0.00065 102 7D+1 -0.00046 0.00415 -0.06252 0.00006 0.00087 103 7D-1 -0.00302 -0.01916 -0.09861 -0.00040 0.00142 104 7D+2 0.00069 0.01819 -0.00461 0.00037 -0.00150 105 7D-2 -0.00054 -0.00400 -0.01353 -0.00039 -0.00052 106 8D 0 -0.00018 -0.00215 -0.00899 0.00014 -0.00069 107 8D+1 -0.00013 0.00163 -0.02105 0.00002 0.00033 108 8D-1 -0.00093 -0.00734 -0.03369 -0.00029 0.00032 109 8D+2 0.00015 0.00661 -0.00136 0.00001 -0.00041 110 8D-2 -0.00018 -0.00058 -0.00479 0.00008 -0.00022 111 6 Cu 1S 0.00035 -0.00231 -0.00240 -0.00069 -0.00098 112 2S -0.00228 -0.08202 -0.02820 0.00147 -0.00330 113 3S -0.00009 -0.03738 0.00473 -0.00490 -0.00368 114 4PX 0.00031 -0.00329 0.00109 0.00076 -0.00055 115 4PY 0.00061 -0.00081 0.01305 -0.00092 0.00050 116 4PZ 0.00031 -0.00448 -0.00123 -0.00075 -0.00057 117 5PX 0.00013 0.00622 0.00978 -0.00311 0.00008 118 5PY -0.00057 -0.00231 -0.00837 0.00140 -0.00289 119 5PZ 0.00030 0.00928 0.01575 -0.00032 0.00007 120 6PX 0.00061 0.01002 0.01288 -0.00104 -0.00014 121 6PY -0.00097 0.00281 -0.00342 0.00110 -0.00027 122 6PZ 0.00111 0.01399 0.01966 -0.00234 -0.00006 123 7D 0 -0.00057 -0.00598 -0.01244 -0.00092 0.00017 124 7D+1 -0.00245 -0.01839 -0.02555 0.00164 0.00016 125 7D-1 -0.00198 -0.01348 -0.03427 -0.00015 0.00165 126 7D+2 0.00008 -0.00182 -0.01404 0.00056 0.00019 127 7D-2 -0.00172 -0.01124 -0.02314 0.00042 0.00105 128 8D 0 -0.00022 -0.00261 -0.00418 -0.00056 -0.00006 129 8D+1 -0.00084 -0.00760 -0.00973 0.00046 -0.00015 130 8D-1 -0.00062 -0.00646 -0.01292 -0.00025 0.00046 131 8D+2 0.00000 -0.00124 -0.00438 0.00038 -0.00011 132 8D-2 -0.00054 -0.00511 -0.00901 0.00008 0.00029 133 7 Cu 1S 0.00053 0.00028 0.00107 -0.00100 -0.00082 134 2S 0.00035 -0.01845 0.01795 0.00280 0.00084 135 3S 0.00133 0.02501 0.02743 -0.00740 -0.01142 136 4PX 0.00092 -0.00161 0.00911 -0.00016 -0.00036 137 4PY 0.00074 -0.00080 0.00584 -0.00082 0.00022 138 4PZ 0.00010 -0.00701 0.00552 0.00030 -0.00031 139 5PX 0.00050 0.01118 0.00757 -0.00253 -0.00359 140 5PY -0.00011 0.00215 -0.00340 -0.00086 -0.00207 141 5PZ 0.00041 0.02086 0.00806 -0.00115 0.00081 142 6PX 0.00060 0.00874 0.00966 -0.00430 -0.00128 143 6PY 0.00024 0.00484 0.00717 0.00042 -0.00376 144 6PZ 0.00053 -0.00194 0.00608 -0.00110 0.00055 145 7D 0 0.00082 0.02061 -0.01745 -0.00163 -0.00010 146 7D+1 -0.00078 -0.00593 -0.05760 0.00036 0.00045 147 7D-1 -0.00125 -0.00402 -0.04204 0.00175 -0.00075 148 7D+2 -0.00078 -0.00345 -0.03281 0.00121 -0.00096 149 7D-2 -0.00265 -0.01751 -0.08958 0.00054 0.00196 150 8D 0 0.00022 0.00716 -0.00559 -0.00029 0.00017 151 8D+1 -0.00022 -0.00142 -0.01954 0.00002 -0.00009 152 8D-1 -0.00041 -0.00091 -0.01446 0.00034 -0.00023 153 8D+2 -0.00027 -0.00108 -0.01116 0.00043 -0.00071 154 8D-2 -0.00079 -0.00705 -0.03055 -0.00024 0.00067 155 8 C 1S -0.00038 0.00696 -0.01136 0.00009 0.00033 156 2S 0.00108 -0.01754 0.01773 0.00001 0.00077 157 3S 0.00252 -0.02415 0.00158 -0.00103 -0.01174 158 4PX -0.00029 0.00308 -0.01684 0.00005 -0.00112 159 4PY -0.00105 -0.01716 -0.01980 0.00046 -0.00107 160 4PZ -0.00012 0.01019 -0.01822 0.00198 -0.00156 161 5PX -0.00042 -0.00138 -0.00558 0.00016 -0.00030 162 5PY 0.00041 -0.00289 0.00012 0.00012 0.00062 163 5PZ -0.00067 -0.00066 -0.00745 0.00019 -0.00046 164 9 O 1S -0.00045 -0.00248 0.00100 -0.00001 -0.00002 165 2S 0.00090 0.00673 -0.00254 0.00002 -0.00071 166 3S -0.00039 0.00618 -0.00815 0.00014 0.00371 167 4PX 0.00011 -0.00381 -0.00843 0.00018 0.00140 168 4PY 0.00182 0.01125 0.02069 -0.00047 0.00073 169 4PZ -0.00032 -0.00965 -0.01816 -0.00161 0.00205 170 5PX 0.00032 -0.00207 -0.00072 0.00001 0.00060 171 5PY 0.00010 0.00298 0.00589 -0.00001 0.00123 172 5PZ 0.00042 -0.00455 -0.00312 -0.00092 0.00057 6 7 8 9 10 6 4PZ 0.99632 7 5PX 0.00033 0.01666 8 5PY 0.00262 0.00295 0.01629 9 5PZ 0.01791 0.00694 0.00317 0.02046 10 6PX 0.00323 0.00177 0.00167 0.00062 0.00628 11 6PY 0.00220 0.00184 -0.00205 0.00325 -0.00001 12 6PZ -0.00507 0.00060 0.00308 0.00131 0.00207 13 7D 0 0.00071 -0.01753 -0.01723 0.03363 -0.00285 14 7D+1 -0.00138 0.02646 -0.00006 0.01760 0.01611 15 7D-1 -0.00028 0.00345 0.02362 0.02567 0.00535 16 7D+2 0.00009 0.02482 -0.03180 0.00234 0.01256 17 7D-2 0.00015 0.02099 0.02340 0.00333 0.02855 18 8D 0 0.00022 -0.00587 -0.00554 0.01099 -0.00086 19 8D+1 -0.00066 0.00842 -0.00017 0.00534 0.00562 20 8D-1 -0.00050 0.00102 0.00738 0.00821 0.00197 21 8D+2 0.00031 0.00821 -0.01029 0.00082 0.00423 22 8D-2 0.00008 0.00660 0.00737 0.00098 0.00968 23 2 Cu 1S 0.00101 -0.00038 0.00045 0.00057 0.00060 24 2S 0.01217 -0.00433 -0.00191 -0.02535 0.00421 25 3S 0.02229 0.00101 0.00712 0.00734 0.00648 26 4PX 0.00104 -0.00248 0.00190 -0.00364 0.00676 27 4PY 0.00066 0.00301 -0.00323 -0.00099 0.00020 28 4PZ 0.00114 -0.00169 0.00100 0.00140 0.00547 29 5PX -0.00166 0.00479 -0.00404 0.00845 -0.00199 30 5PY 0.00016 -0.00541 0.00404 0.00011 0.00113 31 5PZ 0.00054 0.00068 -0.00184 0.01186 -0.00003 32 6PX -0.00255 0.00324 0.00267 -0.00022 -0.00156 33 6PY 0.00079 -0.00154 0.00607 -0.00051 0.00099 34 6PZ 0.00738 0.00299 0.00721 0.00771 -0.00104 35 7D 0 0.01381 -0.01470 -0.03075 -0.05609 0.00494 36 7D+1 0.00267 0.02204 -0.00804 -0.01293 -0.00749 37 7D-1 0.00882 -0.00634 0.00134 -0.04002 -0.01252 38 7D+2 -0.00177 0.01730 -0.01737 0.01188 -0.00562 39 7D-2 0.00087 0.00832 0.00994 -0.00767 -0.01293 40 8D 0 0.00058 -0.00497 -0.01034 -0.01869 0.00151 41 8D+1 0.00052 0.00705 -0.00264 -0.00403 -0.00285 42 8D-1 0.00158 -0.00215 0.00004 -0.01338 -0.00415 43 8D+2 -0.00060 0.00580 -0.00579 0.00398 -0.00180 44 8D-2 0.00039 0.00269 0.00339 -0.00274 -0.00408 45 3 Cu 1S 0.00092 0.00075 0.00028 -0.00021 0.00021 46 2S 0.00774 -0.02267 0.00104 -0.01272 0.00357 47 3S -0.00009 0.00781 0.00616 0.00244 0.01476 48 4PX -0.00049 0.00213 -0.00064 0.00069 -0.00448 49 4PY -0.00037 -0.00318 -0.00202 0.00220 -0.00414 50 4PZ 0.00079 -0.00097 0.00222 -0.00435 -0.00398 51 5PX 0.00323 0.00851 -0.00120 0.00111 0.00543 52 5PY 0.00366 0.00212 0.00238 -0.00448 0.00027 53 5PZ -0.00292 0.00845 -0.00542 0.00983 0.00063 54 6PX -0.00046 0.00753 0.00594 0.00293 0.00186 55 6PY 0.00055 -0.00008 0.00515 -0.00247 0.00067 56 6PZ 0.00490 0.00178 0.00450 0.00423 0.00174 57 7D 0 -0.00814 0.01150 -0.00723 0.03593 0.00468 58 7D+1 -0.00229 -0.04575 -0.00854 -0.00762 -0.00798 59 7D-1 -0.00188 -0.01267 0.01014 0.00467 0.00035 60 7D+2 0.00652 -0.04148 -0.02616 -0.02208 -0.00676 61 7D-2 0.00318 -0.02129 0.01068 -0.01383 -0.00400 62 8D 0 -0.00251 0.00407 -0.00239 0.01194 0.00154 63 8D+1 -0.00160 -0.01499 -0.00291 -0.00275 -0.00267 64 8D-1 -0.00069 -0.00439 0.00333 0.00145 -0.00003 65 8D+2 0.00140 -0.01391 -0.00892 -0.00728 -0.00212 66 8D-2 0.00092 -0.00708 0.00320 -0.00460 -0.00150 67 4 Cu 1S 0.00020 0.00106 0.00216 0.00105 0.00051 68 2S 0.00093 0.00363 -0.02117 0.00962 -0.00470 69 3S 0.00437 0.01144 0.02114 0.01183 0.00645 70 4PX -0.00073 -0.00249 0.00123 0.00258 0.00275 71 4PY -0.00123 0.00166 0.00407 0.00051 0.00041 72 4PZ 0.00042 0.00249 0.00003 -0.00095 -0.00030 73 5PX 0.00411 0.00100 0.00520 -0.00721 0.00269 74 5PY 0.00646 0.00316 0.01167 0.00315 0.00509 75 5PZ -0.00185 -0.00671 0.00592 -0.00554 -0.00004 76 6PX 0.00192 0.00028 -0.00206 0.00337 -0.00858 77 6PY -0.00375 0.00384 -0.00178 0.00536 -0.00366 78 6PZ 0.00036 0.00219 -0.00291 0.00191 0.00114 79 7D 0 -0.00467 0.00078 0.01593 0.02003 0.00932 80 7D+1 -0.00215 0.00746 -0.01442 0.00642 -0.00372 81 7D-1 -0.00454 -0.01396 -0.02739 0.00240 0.00126 82 7D+2 -0.00245 0.02247 0.02295 0.00836 -0.00919 83 7D-2 0.00230 -0.00075 -0.03063 -0.01117 -0.01119 84 8D 0 -0.00162 -0.00002 0.00543 0.00634 0.00307 85 8D+1 -0.00069 0.00214 -0.00434 0.00140 -0.00118 86 8D-1 -0.00174 -0.00418 -0.00859 0.00057 0.00060 87 8D+2 -0.00080 0.00725 0.00773 0.00274 -0.00295 88 8D-2 0.00061 -0.00069 -0.00969 -0.00335 -0.00372 89 5 Cu 1S -0.00086 0.00009 -0.00054 -0.00009 0.00017 90 2S 0.00054 0.01649 -0.01374 -0.00209 -0.00468 91 3S -0.00395 0.00305 -0.00815 0.00069 0.00199 92 4PX 0.00021 -0.00096 -0.00054 -0.00241 -0.00094 93 4PY -0.00103 0.00106 -0.00211 0.00042 -0.00032 94 4PZ 0.00024 -0.00166 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0.00013 -0.00041 134 2S -0.00562 -0.00980 -0.00973 0.01646 -0.01180 135 3S 0.00356 -0.00180 -0.00741 0.00421 -0.01316 136 4PX 0.00013 -0.00261 -0.00279 -0.00142 -0.00339 137 4PY -0.00057 -0.00028 -0.00153 0.00137 -0.00020 138 4PZ 0.00031 -0.00302 -0.00100 -0.00254 -0.00083 139 5PX 0.00086 0.00285 -0.00231 0.00173 -0.00287 140 5PY 0.00249 -0.00421 0.00530 -0.00556 -0.00015 141 5PZ -0.00187 0.00333 -0.00294 0.00743 0.00180 142 6PX 0.00177 -0.00248 -0.00293 -0.00280 -0.00036 143 6PY 0.00071 -0.00087 -0.00013 -0.00357 0.00136 144 6PZ -0.00133 -0.00110 -0.00123 0.00028 -0.00214 145 7D 0 -0.00022 0.00980 0.00736 0.00833 0.01115 146 7D+1 0.00015 0.00537 0.00925 0.00015 0.00522 147 7D-1 0.00033 0.00641 0.00365 0.00052 0.01241 148 7D+2 0.00109 0.00734 0.00699 0.00158 -0.01245 149 7D-2 -0.00070 0.01721 0.01350 0.00380 0.00796 150 8D 0 -0.00015 0.00318 0.00251 0.00270 0.00378 151 8D+1 0.00016 0.00177 0.00319 -0.00002 0.00193 152 8D-1 0.00012 0.00241 0.00104 0.00015 0.00427 153 8D+2 0.00029 0.00251 0.00239 0.00069 -0.00428 154 8D-2 -0.00056 0.00586 0.00465 0.00172 0.00247 155 8 C 1S 0.00006 0.00219 0.00412 0.00224 0.00231 156 2S -0.00016 -0.00537 -0.00767 -0.00603 -0.00417 157 3S 0.00106 -0.00546 -0.00465 -0.00668 -0.00181 158 4PX 0.00238 0.00061 0.00608 -0.00707 -0.00259 159 4PY 0.00053 -0.00366 0.00409 -0.00492 0.00106 160 4PZ 0.00173 -0.00461 0.00846 -0.00378 0.00124 161 5PX 0.00032 0.00023 0.00196 -0.00436 0.00059 162 5PY 0.00001 -0.00131 0.00088 -0.00137 0.00005 163 5PZ 0.00036 -0.00349 0.00310 -0.00263 0.00087 164 9 O 1S -0.00001 -0.00066 0.00031 -0.00103 -0.00177 165 2S 0.00020 0.00154 -0.00018 0.00227 0.00375 166 3S -0.00061 0.00324 0.00210 0.00416 0.00490 167 4PX -0.00207 0.00101 -0.00328 0.00668 -0.00993 168 4PY -0.00047 0.00072 -0.00747 0.00171 -0.00736 169 4PZ -0.00136 0.00559 -0.00327 0.00548 -0.00020 170 5PX -0.00107 0.00003 -0.00247 0.00445 -0.00449 171 5PY -0.00011 0.00129 -0.00278 0.00173 -0.00246 172 5PZ -0.00077 0.00345 -0.00328 0.00291 -0.00082 11 12 13 14 15 11 6PY 0.00986 12 6PZ -0.00110 0.00804 13 7D 0 -0.00140 0.01254 0.74239 14 7D+1 0.01303 0.01714 0.00219 0.75147 15 7D-1 0.02524 0.02888 -0.00157 -0.00205 0.75312 16 7D+2 -0.00709 -0.00046 0.00042 -0.00386 0.00399 17 7D-2 0.01768 0.00389 0.00278 -0.00230 -0.00253 18 8D 0 -0.00045 0.00432 0.24741 0.00107 0.00005 19 8D+1 0.00459 0.00602 0.00118 0.25079 -0.00032 20 8D-1 0.00878 0.00983 0.00007 -0.00026 0.25039 21 8D+2 -0.00239 -0.00009 -0.00063 -0.00072 0.00084 22 8D-2 0.00619 0.00144 0.00080 -0.00008 -0.00011 23 2 Cu 1S 0.00035 0.00035 0.00266 -0.00097 -0.00019 24 2S -0.00986 0.00746 0.03548 -0.01185 0.00704 25 3S 0.00154 0.01783 0.13345 -0.02727 0.10182 26 4PX -0.00266 -0.00043 -0.00414 0.00781 -0.00071 27 4PY 0.00583 -0.00588 -0.01008 -0.00013 0.00393 28 4PZ 0.00291 -0.00412 -0.01527 -0.00329 -0.00983 29 5PX 0.00281 -0.00247 0.00546 -0.02891 0.00067 30 5PY -0.00418 0.00267 0.03786 0.00108 -0.03079 31 5PZ 0.00481 0.00465 0.07745 -0.00201 0.03156 32 6PX -0.00166 0.00107 -0.01848 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0.00283 0.00275 0.00201 0.00361 73 5PX -0.00598 0.00234 -0.02797 -0.00152 0.01505 74 5PY 0.00555 0.00653 -0.05095 0.01097 0.02500 75 5PZ -0.00925 0.00383 -0.00009 -0.02509 -0.03700 76 6PX 0.00630 -0.00099 -0.02675 0.02508 0.02053 77 6PY 0.01024 -0.00920 0.02199 -0.00609 -0.01103 78 6PZ 0.00499 -0.00827 0.03448 -0.00526 -0.02577 79 7D 0 -0.00815 -0.00474 -0.00168 0.00432 0.00979 80 7D+1 -0.00510 0.00199 0.00447 -0.00265 0.00330 81 7D-1 -0.00698 -0.01197 0.01657 0.00453 0.01871 82 7D+2 -0.00735 0.00589 -0.00108 0.00850 0.00570 83 7D-2 -0.00123 0.00014 -0.00209 0.00428 -0.00384 84 8D 0 -0.00308 -0.00140 0.00011 0.00071 0.00112 85 8D+1 -0.00197 0.00073 0.00034 -0.00057 -0.00053 86 8D-1 -0.00253 -0.00376 0.00347 0.00079 0.00322 87 8D+2 -0.00297 0.00218 0.00022 0.00195 0.00149 88 8D-2 -0.00040 0.00020 -0.00111 0.00120 0.00016 89 5 Cu 1S -0.00018 -0.00035 0.00003 0.00052 -0.00290 90 2S 0.00422 -0.01523 -0.01067 0.00395 -0.01756 91 3S 0.00122 -0.01364 0.02224 0.01335 -0.08531 92 4PX -0.00353 0.00074 -0.00048 0.00030 -0.00027 93 4PY -0.00298 -0.00021 0.00117 0.00175 -0.00127 94 4PZ -0.00183 -0.00342 -0.00173 -0.00098 -0.00131 95 5PX 0.00237 0.00231 -0.00087 0.00248 -0.00120 96 5PY -0.00589 0.00050 0.00875 -0.00324 -0.01544 97 5PZ 0.00108 -0.00248 0.00786 0.00007 -0.01321 98 6PX -0.00106 -0.00102 0.01005 -0.00783 -0.00458 99 6PY -0.00187 0.00268 -0.01167 0.01283 -0.00457 100 6PZ 0.00174 -0.00156 0.01987 -0.00090 0.00114 101 7D 0 0.01378 -0.01400 0.00029 -0.00342 -0.00172 102 7D+1 0.01462 0.00570 0.00282 0.00263 0.00133 103 7D-1 0.00138 0.00461 -0.00121 -0.00086 -0.00651 104 7D+2 0.01191 -0.00447 0.00128 -0.00269 0.00401 105 7D-2 -0.00176 0.01434 -0.00385 0.00415 0.00073 106 8D 0 0.00460 -0.00463 0.00017 -0.00121 -0.00126 107 8D+1 0.00482 0.00211 0.00124 0.00133 0.00061 108 8D-1 0.00025 0.00140 -0.00036 -0.00056 -0.00446 109 8D+2 0.00402 -0.00145 -0.00025 -0.00083 0.00228 110 8D-2 -0.00038 0.00503 -0.00132 0.00198 0.00038 111 6 Cu 1S -0.00091 0.00013 -0.00019 -0.00141 -0.00180 112 2S -0.01186 -0.01076 -0.00684 -0.00913 -0.00645 113 3S -0.01993 -0.01067 -0.01684 -0.06859 -0.05656 114 4PX -0.00098 -0.00054 0.00192 -0.00192 0.00086 115 4PY -0.00164 -0.00053 0.00076 0.00023 -0.00144 116 4PZ -0.00112 -0.00121 -0.00264 -0.00087 -0.00104 117 5PX -0.00272 -0.00076 -0.00500 -0.00296 -0.01480 118 5PY -0.00927 0.00245 -0.00325 -0.00847 -0.00122 119 5PZ -0.00270 -0.00489 0.00847 -0.00752 -0.01269 120 6PX 0.00077 -0.00130 0.01134 -0.00664 -0.01916 121 6PY -0.00368 -0.00121 -0.00840 -0.02305 -0.00565 122 6PZ 0.00190 -0.00114 -0.00210 0.00797 -0.00043 123 7D 0 -0.00261 -0.00158 0.00051 0.00086 -0.00099 124 7D+1 0.00255 -0.00112 -0.00059 -0.00584 -0.00463 125 7D-1 -0.00449 0.00219 0.00240 -0.00281 -0.00277 126 7D+2 -0.00741 0.00006 0.00266 0.00366 -0.00262 127 7D-2 0.00073 0.00788 -0.00312 -0.00221 -0.00227 128 8D 0 -0.00108 -0.00058 0.00096 -0.00013 -0.00081 129 8D+1 0.00047 -0.00030 -0.00065 -0.00304 -0.00332 130 8D-1 -0.00160 0.00054 0.00070 -0.00114 -0.00151 131 8D+2 -0.00261 -0.00026 0.00108 0.00162 -0.00174 132 8D-2 0.00015 0.00248 -0.00068 -0.00139 -0.00126 133 7 Cu 1S -0.00008 0.00008 0.00084 0.00061 -0.00005 134 2S 0.00528 -0.01007 0.01811 -0.00602 -0.00073 135 3S 0.00359 -0.00289 0.00390 0.03862 0.03037 136 4PX -0.00070 -0.00107 0.00032 -0.00106 0.00049 137 4PY -0.00337 0.00022 0.00200 0.00162 -0.00098 138 4PZ -0.00351 -0.00048 0.00001 -0.00074 0.00030 139 5PX -0.00046 -0.00111 -0.00670 0.00875 0.00606 140 5PY -0.00526 0.00208 -0.00656 0.00523 0.00038 141 5PZ 0.00311 -0.00011 0.00621 0.00096 -0.00045 142 6PX 0.00158 -0.00002 0.00315 0.00921 0.00738 143 6PY -0.00207 0.00292 -0.00160 0.00831 0.00662 144 6PZ 0.00040 0.00056 -0.01785 0.00854 0.01245 145 7D 0 0.00709 -0.02470 -0.00241 0.00172 0.00091 146 7D+1 0.01331 -0.00723 0.00133 0.00207 0.00211 147 7D-1 -0.00119 0.00549 0.00226 0.00035 0.00202 148 7D+2 0.01477 -0.00707 -0.00231 -0.00409 0.00116 149 7D-2 -0.00369 -0.00598 0.00486 -0.00127 -0.00262 150 8D 0 0.00234 -0.00818 -0.00039 0.00025 0.00020 151 8D+1 0.00443 -0.00223 0.00071 0.00138 0.00152 152 8D-1 -0.00027 0.00201 0.00107 0.00033 0.00061 153 8D+2 0.00487 -0.00237 -0.00070 -0.00174 0.00068 154 8D-2 -0.00147 -0.00206 0.00259 -0.00079 -0.00133 155 8 C 1S 0.00220 0.00278 -0.00134 0.00007 -0.00239 156 2S -0.00446 -0.00489 0.00321 -0.00243 0.00304 157 3S -0.00669 -0.00110 0.00426 0.01021 0.03240 158 4PX 0.00284 0.00105 -0.00806 -0.00222 0.00557 159 4PY -0.00673 0.00175 -0.00032 -0.00334 0.00856 160 4PZ 0.00565 -0.00334 -0.00666 -0.00415 0.00559 161 5PX -0.00240 0.00144 0.00561 -0.00412 -0.00492 162 5PY -0.00051 0.00013 -0.00292 0.00784 0.00476 163 5PZ -0.00309 0.00180 0.00283 -0.00298 0.00414 164 9 O 1S 0.00121 -0.00263 0.00053 0.00005 0.00052 165 2S -0.00211 0.00551 -0.00113 -0.00053 -0.00058 166 3S -0.00262 0.00716 -0.00403 0.00150 -0.00674 167 4PX 0.01478 -0.00501 0.00754 0.00141 -0.00458 168 4PY 0.01791 -0.01620 0.00034 0.00180 -0.00523 169 4PZ 0.01542 -0.01265 0.00551 0.00387 -0.00347 170 5PX 0.00723 -0.00291 0.00254 0.00120 -0.00108 171 5PY 0.00691 -0.00581 -0.00040 0.00012 -0.00479 172 5PZ 0.00803 -0.00656 0.00223 0.00181 -0.00232 16 17 18 19 20 16 7D+2 0.74491 17 7D-2 0.00346 0.75253 18 8D 0 -0.00064 0.00050 0.08250 19 8D+1 -0.00049 -0.00009 0.00054 0.08384 20 8D-1 0.00112 -0.00021 0.00022 0.00007 0.08337 21 8D+2 0.24709 0.00140 -0.00047 0.00002 0.00021 22 8D-2 0.00147 0.24966 0.00013 0.00024 0.00021 23 2 Cu 1S 0.00011 -0.00071 0.00123 -0.00022 0.00008 24 2S -0.00197 0.00157 0.01206 -0.00322 0.00322 25 3S -0.00547 0.00375 0.04508 -0.00893 0.03473 26 4PX 0.00010 0.00212 -0.00075 0.00313 0.00000 27 4PY -0.00149 0.00047 -0.00253 -0.00005 0.00236 28 4PZ 0.00211 0.00005 -0.00232 -0.00062 -0.00195 29 5PX 0.00807 -0.00804 0.00164 -0.00958 0.00028 30 5PY -0.00808 0.01007 0.01279 0.00073 -0.01018 31 5PZ -0.00056 -0.00382 0.02628 -0.00016 0.01107 32 6PX 0.01004 -0.00956 -0.00621 -0.00228 -0.00021 33 6PY -0.00557 0.02703 -0.00489 -0.00121 -0.01138 34 6PZ -0.00635 0.01030 -0.00142 -0.00590 -0.00622 35 7D 0 0.00717 -0.00481 -0.00402 -0.00011 -0.00343 36 7D+1 0.00620 0.00936 -0.00229 0.00335 0.00081 37 7D-1 -0.01363 0.00359 -0.00450 0.00063 0.00278 38 7D+2 -0.00338 -0.00063 0.00009 -0.00055 -0.00030 39 7D-2 0.00324 -0.00697 -0.00010 0.00197 -0.00069 40 8D 0 0.00177 -0.00109 -0.00092 0.00021 -0.00021 41 8D+1 0.00208 0.00160 -0.00101 -0.00077 0.00057 42 8D-1 -0.00433 0.00175 -0.00085 0.00059 -0.00020 43 8D+2 -0.00050 0.00000 -0.00022 -0.00056 0.00062 44 8D-2 0.00146 -0.00116 0.00030 0.00020 -0.00041 45 3 Cu 1S 0.00236 -0.00080 -0.00046 0.00046 -0.00027 46 2S 0.02974 -0.00450 -0.00644 0.00445 0.00099 47 3S 0.13372 0.05297 -0.02395 0.01733 0.00938 48 4PX -0.01095 -0.00518 0.00018 -0.00254 -0.00010 49 4PY -0.00601 0.00691 0.00027 -0.00068 0.00103 50 4PZ -0.00875 -0.00163 0.00196 0.00151 0.00026 51 5PX 0.05925 0.00500 -0.00860 0.01714 0.00056 52 5PY 0.00411 -0.03758 -0.00470 0.00604 -0.00285 53 5PZ 0.03878 0.00203 -0.00557 -0.00349 -0.00011 54 6PX -0.01353 -0.02404 -0.00553 -0.00129 0.00148 55 6PY -0.02861 -0.02745 0.00015 -0.00133 0.00341 56 6PZ -0.00316 0.00018 0.00237 -0.00764 -0.00144 57 7D 0 -0.00418 -0.00126 0.00006 0.00121 0.00156 58 7D+1 -0.01237 -0.00635 0.00547 -0.00061 0.00108 59 7D-1 -0.00594 0.01136 0.00098 0.00045 -0.00062 60 7D+2 -0.00839 -0.01025 -0.00060 -0.00274 -0.00083 61 7D-2 -0.01259 0.02290 -0.00209 0.00024 0.00280 62 8D 0 -0.00048 0.00067 -0.00037 -0.00109 0.00057 63 8D+1 -0.00217 -0.00128 0.00093 -0.00112 0.00039 64 8D-1 -0.00129 0.00156 0.00013 0.00024 0.00008 65 8D+2 -0.00225 -0.00175 -0.00008 -0.00011 0.00006 66 8D-2 -0.00452 0.00415 -0.00065 0.00039 0.00034 67 4 Cu 1S -0.00096 -0.00023 -0.00031 -0.00024 -0.00037 68 2S -0.02468 0.01045 -0.00450 0.00208 0.00137 69 3S -0.11142 0.05831 -0.02352 0.00224 0.01006 70 4PX 0.00595 0.00292 0.00098 0.00022 -0.00084 71 4PY 0.01208 -0.00842 0.00206 -0.00006 -0.00127 72 4PZ 0.00341 -0.00291 0.00074 0.00087 0.00216 73 5PX -0.02310 -0.03926 -0.00933 -0.00038 0.00532 74 5PY -0.08679 0.05462 -0.01657 0.00432 0.00912 75 5PZ -0.00660 0.01312 0.00032 -0.00851 -0.01203 76 6PX 0.01713 -0.05302 -0.00894 0.00829 0.00687 77 6PY 0.02661 -0.00692 0.00717 -0.00230 -0.00362 78 6PZ 0.00194 0.02615 0.01149 -0.00180 -0.00862 79 7D 0 -0.00142 -0.00083 -0.00055 0.00085 0.00102 80 7D+1 0.00657 0.00149 0.00087 -0.00011 -0.00003 81 7D-1 0.00954 -0.00456 0.00439 0.00088 0.00338 82 7D+2 0.00243 0.01553 -0.00099 0.00197 0.00149 83 7D-2 0.02134 0.01048 -0.00090 0.00160 -0.00013 84 8D 0 -0.00009 -0.00023 0.00005 0.00006 -0.00035 85 8D+1 0.00019 -0.00025 -0.00009 0.00008 -0.00053 86 8D-1 0.00183 0.00036 0.00081 0.00005 0.00016 87 8D+2 0.00146 0.00205 -0.00012 0.00037 0.00031 88 8D-2 0.00344 0.00092 -0.00042 0.00045 0.00043 89 5 Cu 1S 0.00071 0.00090 0.00006 0.00018 -0.00086 90 2S 0.01526 -0.00008 -0.00429 0.00056 -0.00690 91 3S 0.01492 0.06728 0.00722 0.00463 -0.02912 92 4PX -0.00005 0.00001 -0.00005 -0.00007 -0.00025 93 4PY 0.00149 -0.00081 0.00053 0.00041 0.00009 94 4PZ 0.00020 0.00101 -0.00071 -0.00034 -0.00029 95 5PX 0.00533 -0.00398 -0.00025 0.00109 0.00000 96 5PY -0.00413 0.01040 0.00302 -0.00091 -0.00551 97 5PZ 0.00105 0.01196 0.00254 -0.00014 -0.00441 98 6PX -0.00915 0.01778 0.00327 -0.00277 -0.00155 99 6PY -0.00969 0.01224 -0.00386 0.00450 -0.00142 100 6PZ 0.00843 0.01012 0.00662 -0.00008 0.00072 101 7D 0 0.00133 0.00244 -0.00006 -0.00155 -0.00140 102 7D+1 0.00129 0.00064 0.00106 0.00115 0.00048 103 7D-1 0.00514 -0.00101 -0.00047 -0.00045 -0.00445 104 7D+2 -0.00163 0.00117 -0.00009 -0.00080 0.00212 105 7D-2 -0.00104 0.00279 -0.00136 0.00195 0.00056 106 8D 0 0.00055 0.00197 0.00001 -0.00055 -0.00068 107 8D+1 0.00112 0.00037 0.00046 0.00054 0.00025 108 8D-1 0.00298 -0.00030 -0.00017 -0.00029 -0.00226 109 8D+2 -0.00076 -0.00006 -0.00025 -0.00024 0.00104 110 8D-2 -0.00076 0.00129 -0.00047 0.00088 0.00028 111 6 Cu 1S 0.00007 -0.00147 0.00001 -0.00041 -0.00059 112 2S -0.00736 -0.00333 -0.00299 -0.00507 -0.00360 113 3S 0.00088 -0.04886 -0.00614 -0.02512 -0.01993 114 4PX 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-0.00286 0.00021 0.00025 0.00001 134 2S -0.00698 -0.01589 0.00582 -0.00293 -0.00092 135 3S -0.02525 -0.09783 0.00150 0.01302 0.01030 136 4PX -0.00111 -0.00141 -0.00017 -0.00031 0.00023 137 4PY 0.00098 -0.00094 0.00047 0.00045 -0.00026 138 4PZ -0.00118 -0.00033 -0.00023 -0.00025 0.00000 139 5PX -0.00211 -0.01880 -0.00234 0.00277 0.00211 140 5PY -0.00200 -0.01499 -0.00203 0.00199 -0.00004 141 5PZ 0.00187 -0.00389 0.00213 0.00041 0.00004 142 6PX 0.01144 -0.00450 0.00110 0.00334 0.00268 143 6PY -0.02309 -0.00001 -0.00045 0.00291 0.00240 144 6PZ 0.00812 -0.01268 -0.00603 0.00273 0.00416 145 7D 0 0.00354 0.00346 -0.00023 0.00038 0.00076 146 7D+1 0.00040 -0.00123 0.00115 0.00067 0.00125 147 7D-1 -0.00384 0.00049 0.00116 0.00041 0.00109 148 7D+2 0.00203 -0.00392 -0.00075 -0.00195 0.00017 149 7D-2 0.00121 -0.00610 0.00290 -0.00085 -0.00140 150 8D 0 0.00151 0.00243 0.00005 0.00002 0.00023 151 8D+1 0.00021 -0.00108 0.00048 0.00046 0.00070 152 8D-1 -0.00173 0.00001 0.00049 0.00020 0.00035 153 8D+2 0.00031 -0.00226 -0.00024 -0.00080 0.00015 154 8D-2 0.00072 -0.00428 0.00128 -0.00046 -0.00066 155 8 C 1S -0.00299 -0.00077 -0.00036 0.00007 -0.00064 156 2S 0.00788 -0.00047 0.00088 -0.00084 0.00102 157 3S 0.01011 0.02065 0.00157 0.00359 0.01047 158 4PX -0.00474 0.00491 -0.00284 -0.00057 0.00193 159 4PY 0.00342 0.00480 0.00052 -0.00089 0.00243 160 4PZ -0.01025 0.00700 -0.00242 -0.00126 0.00207 161 5PX 0.00729 0.00722 0.00187 -0.00131 -0.00170 162 5PY -0.00838 0.00481 -0.00098 0.00279 0.00147 163 5PZ 0.01028 -0.00995 0.00097 -0.00095 0.00133 164 9 O 1S 0.00099 0.00007 0.00032 0.00003 -0.00001 165 2S -0.00163 -0.00001 -0.00066 -0.00018 0.00021 166 3S -0.00985 -0.00137 -0.00134 0.00059 -0.00201 167 4PX 0.00463 -0.00265 0.00259 0.00032 -0.00134 168 4PY -0.00131 -0.00351 -0.00065 0.00045 -0.00130 169 4PZ 0.00924 -0.00631 0.00180 0.00121 -0.00132 170 5PX 0.00078 -0.00312 0.00086 0.00029 -0.00025 171 5PY -0.00183 -0.00241 -0.00027 -0.00002 -0.00149 172 5PZ 0.00340 -0.00107 0.00062 0.00051 -0.00078 21 22 23 24 25 21 8D+2 0.08200 22 8D-2 0.00059 0.08293 23 2 Cu 1S 0.00000 -0.00024 1.00496 24 2S -0.00046 0.00094 0.00699 0.16882 25 3S -0.00199 0.00099 0.01147 0.06387 0.25041 26 4PX -0.00003 0.00071 0.00137 0.01186 -0.01989 27 4PY -0.00072 0.00012 0.00175 0.00897 -0.03610 28 4PZ 0.00043 0.00020 -0.00167 -0.00785 0.04062 29 5PX 0.00275 -0.00264 -0.00216 -0.02754 -0.04705 30 5PY -0.00274 0.00351 -0.00156 -0.00747 -0.03205 31 5PZ -0.00014 -0.00090 0.00158 0.00366 0.02781 32 6PX 0.00346 -0.00324 -0.00208 0.01005 -0.01596 33 6PY -0.00158 0.00903 -0.00129 0.01524 -0.01025 34 6PZ -0.00189 0.00311 0.00150 -0.01002 0.01392 35 7D 0 0.00182 -0.00089 -0.00003 -0.00182 -0.02202 36 7D+1 0.00223 0.00184 -0.00041 -0.00080 0.03020 37 7D-1 -0.00425 0.00204 0.00022 -0.01235 -0.09561 38 7D+2 -0.00080 -0.00018 -0.00018 0.00203 0.05014 39 7D-2 0.00175 -0.00159 0.00017 -0.00089 -0.03942 40 8D 0 0.00039 -0.00012 0.00004 -0.00052 -0.00723 41 8D+1 0.00074 0.00010 -0.00029 -0.00203 0.00883 42 8D-1 -0.00136 0.00086 -0.00014 -0.00424 -0.03276 43 8D+2 -0.00006 0.00002 -0.00012 0.00060 0.01693 44 8D-2 0.00072 -0.00013 0.00012 0.00175 -0.01202 45 3 Cu 1S 0.00103 -0.00018 -0.00123 -0.00390 -0.00164 46 2S 0.01016 -0.00080 -0.00388 0.05455 -0.00972 47 3S 0.04519 0.01837 -0.00162 -0.01014 -0.03274 48 4PX -0.00164 -0.00103 -0.00144 -0.01552 -0.00824 49 4PY -0.00141 0.00303 0.00013 -0.00367 0.00657 50 4PZ -0.00196 -0.00025 0.00069 0.01216 0.01276 51 5PX 0.02005 0.00201 -0.00197 0.02111 -0.01790 52 5PY 0.00130 -0.01248 0.00062 0.01902 0.00950 53 5PZ 0.01293 0.00087 0.00034 -0.03115 -0.01148 54 6PX -0.00446 -0.00864 -0.00012 -0.00555 -0.00529 55 6PY -0.00958 -0.00960 -0.00032 0.01333 0.00585 56 6PZ -0.00104 -0.00022 0.00056 0.00328 0.01419 57 7D 0 0.00012 0.00081 0.00006 -0.00409 0.01026 58 7D+1 -0.00240 -0.00083 -0.00165 -0.02935 -0.14202 59 7D-1 -0.00117 0.00141 -0.00054 -0.01373 -0.02161 60 7D+2 -0.00348 -0.00064 -0.00009 0.00437 0.07231 61 7D-2 -0.00422 0.00435 0.00201 0.00845 0.00880 62 8D 0 0.00033 0.00061 0.00006 -0.00148 0.00433 63 8D+1 -0.00016 0.00000 -0.00063 -0.00994 -0.04791 64 8D-1 -0.00016 -0.00025 -0.00017 -0.00439 -0.00782 65 8D+2 -0.00098 0.00036 0.00002 0.00091 0.02418 66 8D-2 -0.00152 0.00031 0.00068 0.00274 0.00220 67 4 Cu 1S -0.00045 -0.00015 -0.00213 -0.00405 -0.00266 68 2S -0.00842 0.00379 -0.00622 0.01546 -0.04098 69 3S -0.03714 0.01921 -0.00243 -0.03374 -0.05048 70 4PX 0.00188 0.00207 -0.00036 -0.01036 -0.00718 71 4PY 0.00296 -0.00232 -0.00092 -0.01453 -0.00332 72 4PZ 0.00084 -0.00088 0.00092 0.01326 0.00393 73 5PX -0.00718 -0.01303 -0.00024 0.03858 0.02147 74 5PY -0.02853 0.01873 -0.00260 0.01262 -0.03185 75 5PZ -0.00179 0.00444 0.00309 -0.00468 0.03631 76 6PX 0.00571 -0.01772 -0.00055 -0.01443 -0.00679 77 6PY 0.00881 -0.00226 -0.00119 -0.00821 -0.01527 78 6PZ 0.00069 0.00872 -0.00002 0.00429 0.00003 79 7D 0 -0.00095 0.00051 -0.00108 -0.00671 -0.00211 80 7D+1 0.00059 -0.00025 -0.00121 -0.01615 -0.05662 81 7D-1 0.00228 -0.00003 0.00060 -0.02067 -0.06593 82 7D+2 -0.00029 0.00248 0.00115 0.00109 -0.01673 83 7D-2 0.00500 0.00096 0.00117 0.01541 0.05120 84 8D 0 -0.00019 0.00015 -0.00037 -0.00186 -0.00005 85 8D+1 -0.00046 -0.00030 -0.00040 -0.00375 -0.01886 86 8D-1 0.00035 0.00057 0.00040 -0.00730 -0.02328 87 8D+2 0.00015 -0.00020 0.00053 0.00046 -0.00538 88 8D-2 0.00048 -0.00049 0.00042 0.00354 0.01735 89 5 Cu 1S 0.00017 0.00031 -0.00112 -0.00422 -0.00283 90 2S 0.00481 -0.00040 -0.00380 0.06469 -0.03242 91 3S 0.00508 0.02287 -0.00331 0.02035 -0.07573 92 4PX -0.00010 -0.00001 0.00079 0.00480 -0.00653 93 4PY 0.00043 -0.00035 -0.00114 -0.01335 -0.02465 94 4PZ -0.00036 0.00043 -0.00030 -0.00199 -0.01224 95 5PX 0.00178 -0.00135 -0.00017 -0.00652 0.00045 96 5PY -0.00135 0.00344 -0.00063 0.02717 -0.00627 97 5PZ 0.00036 0.00417 -0.00062 -0.00116 -0.00869 98 6PX -0.00307 0.00590 0.00055 0.00311 0.00456 99 6PY -0.00316 0.00429 0.00002 -0.00352 -0.01291 100 6PZ 0.00272 0.00349 -0.00074 0.00500 -0.00647 101 7D 0 0.00057 0.00117 -0.00112 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6PY 0.00060 -0.00407 -0.00049 -0.00103 -0.01179 122 6PZ 0.00073 -0.00640 0.00067 -0.01343 -0.00328 123 7D 0 0.00007 -0.00199 -0.00002 -0.00335 -0.07137 124 7D+1 -0.00002 -0.00183 -0.00183 -0.00706 0.00353 125 7D-1 0.00058 -0.00173 -0.00059 -0.01274 -0.02094 126 7D+2 0.00125 -0.00059 -0.00005 0.00614 0.02709 127 7D-2 0.00081 -0.00105 0.00164 0.03140 0.15079 128 8D 0 -0.00009 -0.00108 -0.00012 -0.00054 -0.02418 129 8D+1 0.00007 -0.00100 -0.00057 -0.00248 0.00190 130 8D-1 0.00027 -0.00086 -0.00014 -0.00399 -0.00722 131 8D+2 0.00060 -0.00028 0.00002 0.00171 0.00826 132 8D-2 0.00020 -0.00045 0.00072 0.01073 0.05113 133 7 Cu 1S -0.00028 -0.00085 0.00039 -0.00185 0.00092 134 2S -0.00302 -0.00603 -0.00226 -0.07332 -0.02724 135 3S -0.00889 -0.03327 -0.00257 -0.01220 0.01820 136 4PX -0.00059 -0.00012 0.00144 0.00275 0.00962 137 4PY 0.00067 0.00001 0.00047 -0.00256 0.00010 138 4PZ -0.00050 -0.00026 -0.00043 0.00321 -0.00119 139 5PX -0.00080 -0.00653 -0.00103 0.00070 -0.00973 140 5PY -0.00070 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0.00249 0.00415 0.00550 0.00058 55 6PY 0.00165 0.00236 0.00453 -0.00414 0.00564 56 6PZ 0.00516 -0.00164 0.00332 -0.00501 0.00211 57 7D 0 0.00287 0.00096 0.00319 -0.00539 -0.00431 58 7D+1 -0.01120 0.00400 0.00667 0.05042 -0.00791 59 7D-1 0.00150 0.00352 -0.00266 0.00616 -0.01640 60 7D+2 0.00568 -0.00137 -0.00713 -0.03463 -0.01037 61 7D-2 -0.00471 -0.00517 0.00202 0.00811 0.00915 62 8D 0 0.00126 0.00037 0.00159 -0.00148 -0.00172 63 8D+1 -0.00215 0.00080 0.00117 0.01697 -0.00274 64 8D-1 0.00013 0.00149 -0.00063 0.00206 -0.00504 65 8D+2 0.00026 0.00003 -0.00184 -0.01178 -0.00367 66 8D-2 -0.00102 -0.00230 0.00031 0.00306 0.00274 67 4 Cu 1S -0.00038 0.00106 -0.00114 0.00126 0.00190 68 2S -0.00447 0.01076 -0.01278 0.02061 -0.01507 69 3S 0.01025 0.01088 -0.01075 0.00942 0.01521 70 4PX 0.00084 0.00029 -0.00050 -0.00116 0.00044 71 4PY -0.00044 0.00118 0.00217 0.00048 -0.00062 72 4PZ -0.00003 0.00231 0.00048 0.00105 -0.00820 73 5PX -0.00183 0.00107 -0.00053 -0.00272 0.00066 74 5PY 0.00391 0.00162 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0.00086 -0.00318 0.00499 95 5PX -0.00282 0.00129 -0.00320 0.00591 -0.00040 96 5PY 0.00404 0.00157 -0.00083 -0.00996 0.01139 97 5PZ -0.00266 0.00105 -0.00417 0.00669 -0.00272 98 6PX 0.00637 -0.00504 0.00006 -0.00118 -0.00078 99 6PY 0.00226 -0.00488 -0.00424 -0.00152 0.00761 100 6PZ 0.00009 0.00461 0.00411 0.00205 0.00051 101 7D 0 0.00287 -0.00778 -0.00440 -0.01180 0.04213 102 7D+1 -0.00183 0.00018 -0.00009 0.00870 -0.00155 103 7D-1 -0.00033 0.00758 -0.00567 -0.00147 -0.01703 104 7D+2 0.00391 -0.01503 -0.00610 -0.00210 0.07005 105 7D-2 -0.00774 -0.00375 0.00027 0.02770 0.00172 106 8D 0 0.00069 -0.00126 -0.00116 -0.00396 0.01431 107 8D+1 -0.00062 0.00024 -0.00006 0.00295 -0.00024 108 8D-1 0.00008 0.00150 -0.00275 -0.00050 -0.00604 109 8D+2 0.00066 -0.00239 -0.00135 -0.00063 0.02387 110 8D-2 -0.00311 -0.00074 0.00008 0.00908 0.00122 111 6 Cu 1S 0.00131 0.00124 0.00031 0.00070 0.00124 112 2S 0.01762 0.00944 0.01103 -0.03948 -0.00842 113 3S 0.01780 0.00212 0.00045 -0.00594 0.02190 114 4PX 0.00143 -0.00118 0.00053 0.00068 0.00513 115 4PY -0.00119 0.00197 -0.00027 0.00656 -0.00578 116 4PZ -0.00009 -0.00047 0.00131 0.00226 0.00341 117 5PX -0.00090 0.00623 -0.00244 0.00872 -0.00280 118 5PY 0.00783 -0.00308 0.00137 -0.01403 0.01151 119 5PZ -0.00150 0.00016 -0.00462 0.00637 -0.00153 120 6PX 0.00139 -0.00362 -0.00359 0.01009 0.00589 121 6PY -0.00354 0.00264 -0.00117 0.00244 0.00816 122 6PZ -0.00036 0.00357 0.00282 0.00374 -0.00163 123 7D 0 -0.00664 -0.00437 -0.00097 0.03413 0.02530 124 7D+1 0.00591 0.00239 -0.00477 -0.01404 -0.00013 125 7D-1 0.00201 0.00294 -0.00401 0.00479 -0.01406 126 7D+2 0.00001 0.00775 0.00195 -0.01171 -0.01365 127 7D-2 0.01172 0.00679 0.00411 -0.05137 -0.04374 128 8D 0 -0.00084 -0.00064 0.00022 0.01147 0.00831 129 8D+1 0.00124 0.00030 -0.00211 -0.00499 0.00013 130 8D-1 0.00018 0.00064 -0.00160 0.00147 -0.00494 131 8D+2 -0.00114 0.00259 0.00044 -0.00429 -0.00455 132 8D-2 0.00204 0.00109 0.00074 -0.01742 -0.01489 133 7 Cu 1S -0.00067 -0.00024 0.00017 0.00044 -0.00044 134 2S 0.00287 0.00274 -0.00351 -0.00041 -0.00635 135 3S -0.01002 0.00079 -0.00252 0.00245 -0.01155 136 4PX 0.00006 -0.00068 0.00074 -0.00372 -0.00053 137 4PY -0.00129 0.00097 0.00024 0.00258 -0.00207 138 4PZ 0.00127 0.00039 0.00120 -0.00263 -0.00045 139 5PX -0.00219 0.00068 -0.00116 0.00666 -0.00109 140 5PY 0.00230 -0.00363 0.00065 -0.00788 0.01168 141 5PZ -0.00239 0.00019 -0.00459 0.00852 -0.00127 142 6PX -0.00307 -0.00002 -0.00001 -0.00556 -0.00459 143 6PY 0.00080 -0.00248 0.00159 -0.00294 -0.00136 144 6PZ -0.00033 0.00141 -0.00170 0.00097 -0.00142 145 7D 0 -0.00179 -0.00112 -0.00280 -0.00080 -0.00147 146 7D+1 -0.00065 0.00070 0.00197 -0.01146 -0.01398 147 7D-1 0.00024 -0.00083 0.00148 -0.00555 0.00089 148 7D+2 0.00275 -0.00211 0.00010 0.00048 0.01337 149 7D-2 0.00055 0.00221 0.00052 0.01134 0.00297 150 8D 0 -0.00059 -0.00035 -0.00103 -0.00053 -0.00051 151 8D+1 -0.00004 0.00054 0.00059 -0.00409 -0.00495 152 8D-1 0.00035 -0.00034 0.00056 -0.00244 0.00026 153 8D+2 0.00096 -0.00085 0.00008 0.00042 0.00448 154 8D-2 0.00003 0.00075 0.00046 0.00407 0.00129 155 8 C 1S -0.00064 0.00121 -0.00143 0.00305 -0.00235 156 2S 0.00140 -0.00313 0.00392 -0.00890 0.00427 157 3S 0.00546 -0.00369 0.00377 -0.01170 0.00815 158 4PX 0.00181 -0.00208 0.00226 -0.00527 0.00905 159 4PY 0.00342 -0.00520 0.00396 -0.01380 0.00735 160 4PZ 0.00359 -0.00460 0.00000 -0.00985 0.01227 161 5PX 0.00086 -0.00359 0.00413 -0.00427 0.00461 162 5PY 0.00162 -0.00108 0.00022 -0.00216 0.00630 163 5PZ 0.00185 -0.00191 0.00098 -0.00814 0.00542 164 9 O 1S 0.00014 -0.00024 0.00037 -0.00069 0.00239 165 2S -0.00032 0.00061 -0.00103 0.00184 -0.00501 166 3S -0.00110 0.00127 -0.00178 0.00383 -0.00553 167 4PX -0.00121 0.00215 -0.00234 0.00398 -0.00861 168 4PY -0.00260 0.00398 -0.00272 0.00996 -0.00542 169 4PZ -0.00304 0.00494 0.00017 0.00991 -0.01642 170 5PX -0.00087 0.00234 -0.00257 0.00298 -0.00556 171 5PY -0.00166 0.00184 -0.00121 0.00517 -0.00494 172 5PZ -0.00208 0.00316 -0.00029 0.00732 -0.00940 31 32 33 34 35 31 5PZ 0.04212 32 6PX -0.00251 0.01068 33 6PY -0.00174 0.00162 0.02123 34 6PZ 0.00310 0.00155 0.01047 0.01899 35 7D 0 -0.05711 -0.02070 -0.05428 -0.07425 0.75153 36 7D+1 0.02389 -0.02117 -0.00337 0.01548 -0.00230 37 7D-1 0.01312 0.00500 -0.00566 -0.01000 -0.00008 38 7D+2 0.01027 0.03443 -0.05802 -0.01575 -0.00114 39 7D-2 0.00018 0.02381 0.01884 0.00028 -0.00146 40 8D 0 -0.01878 -0.00685 -0.01838 -0.02485 0.24717 41 8D+1 0.00762 -0.00698 -0.00135 0.00545 -0.00078 42 8D-1 0.00404 0.00149 -0.00193 -0.00342 0.00062 43 8D+2 0.00325 0.01135 -0.01930 -0.00544 0.00077 44 8D-2 0.00025 0.00796 0.00678 0.00008 -0.00120 45 3 Cu 1S -0.00179 0.00048 -0.00042 0.00014 -0.00140 46 2S 0.00597 0.00739 0.01170 -0.00547 -0.01269 47 3S -0.02191 0.01591 0.00278 -0.00041 -0.03060 48 4PX -0.00611 0.00077 0.00456 0.00284 -0.00133 49 4PY 0.00331 -0.00134 0.00257 0.00163 0.00169 50 4PZ -0.00680 0.00494 0.00269 0.00568 -0.00319 51 5PX 0.00397 0.00930 -0.00314 -0.00533 -0.01224 52 5PY -0.00137 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134 2S 0.01538 0.01020 -0.00690 -0.01362 0.00174 135 3S 0.04816 -0.00362 -0.00269 -0.04531 0.00364 136 4PX 0.00111 -0.00003 -0.00150 -0.00126 0.00026 137 4PY -0.00011 0.00167 0.00095 -0.00052 0.00029 138 4PZ -0.00080 -0.00146 -0.00008 -0.00024 0.00064 139 5PX 0.00834 -0.00191 0.00570 -0.00726 -0.00008 140 5PY 0.00356 -0.00241 -0.00636 -0.00325 -0.00117 141 5PZ -0.00236 0.00142 0.00005 0.00404 -0.00295 142 6PX -0.00029 0.00858 0.00066 -0.00075 0.00051 143 6PY 0.00553 -0.00672 -0.00423 0.00329 0.00326 144 6PZ 0.00378 0.00973 0.00845 0.00498 0.00044 145 7D 0 -0.00372 -0.00125 0.00030 0.00017 0.00032 146 7D+1 -0.00168 -0.00340 0.00049 0.00398 -0.00163 147 7D-1 -0.00064 -0.00315 0.00405 0.00016 -0.00092 148 7D+2 0.00247 0.00076 -0.00085 -0.00475 0.00007 149 7D-2 0.00426 0.00421 -0.00230 -0.00222 -0.00092 150 8D 0 -0.00165 -0.00051 0.00009 0.00040 0.00024 151 8D+1 -0.00121 -0.00200 -0.00016 0.00244 -0.00063 152 8D-1 -0.00047 -0.00083 0.00183 0.00021 -0.00042 153 8D+2 0.00142 0.00035 -0.00003 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132 8D-2 0.00564 -0.00132 0.00575 -0.00269 0.00505 133 7 Cu 1S -0.00031 0.00092 0.00050 0.00105 0.00052 134 2S -0.02584 -0.03786 0.02119 -0.01067 0.00306 135 3S -0.00562 0.00041 0.01871 0.00039 0.01058 136 4PX -0.00198 0.00589 -0.00402 0.00175 -0.00017 137 4PY -0.00054 0.00088 0.00174 -0.00062 0.00652 138 4PZ -0.00470 -0.00096 -0.00499 -0.00017 0.00228 139 5PX 0.00279 -0.00018 0.00354 0.00392 0.00477 140 5PY 0.00295 0.00959 -0.01135 0.00379 0.00988 141 5PZ 0.00469 -0.00234 0.01210 -0.00039 -0.00476 142 6PX -0.00019 0.00264 0.00134 -0.00700 -0.00479 143 6PY -0.00011 0.00673 -0.00344 0.00342 0.00491 144 6PZ -0.00019 -0.00163 0.00011 -0.00216 -0.00086 145 7D 0 0.02790 0.03344 0.00310 0.00171 0.01225 146 7D+1 -0.00062 0.00640 0.00580 0.00342 -0.00854 147 7D-1 0.01611 0.01610 0.02701 0.00141 -0.00032 148 7D+2 0.04009 0.05005 -0.01825 -0.00718 0.00586 149 7D-2 0.01706 -0.04603 0.01208 0.03827 0.01441 150 8D 0 0.00935 0.01149 0.00112 0.00039 0.00399 151 8D+1 -0.00009 0.00249 0.00186 0.00114 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0.00340 144 6PZ -0.00457 -0.00216 -0.00796 -0.00075 -0.00092 145 7D 0 0.00024 0.00123 0.00077 0.02153 0.01180 146 7D+1 -0.00067 0.00011 0.00036 0.01426 0.00378 147 7D-1 0.00050 -0.00124 0.00131 0.00058 0.01782 148 7D+2 -0.00047 0.00030 0.00057 -0.03795 0.02804 149 7D-2 0.00025 0.00059 -0.00004 -0.01483 -0.03263 150 8D 0 -0.00026 0.00026 0.00031 0.00687 0.00392 151 8D+1 -0.00062 0.00027 0.00061 0.00434 0.00122 152 8D-1 0.00017 -0.00042 0.00055 0.00001 0.00563 153 8D+2 0.00050 0.00018 -0.00001 -0.01216 0.00937 154 8D-2 0.00045 0.00061 0.00021 -0.00445 -0.01048 155 8 C 1S -0.00024 0.00001 -0.00004 -0.00378 -0.00223 156 2S 0.00057 -0.00093 0.00075 0.00619 0.00627 157 3S 0.00613 0.00153 -0.00126 0.00476 0.00701 158 4PX 0.00233 -0.00141 0.00139 -0.00487 0.00624 159 4PY 0.00167 -0.00161 0.00064 -0.00392 0.00808 160 4PZ 0.00143 -0.00304 0.00113 -0.00169 0.00964 161 5PX 0.00508 -0.00296 0.00284 -0.00160 0.00387 162 5PY 0.00088 -0.00057 0.00071 -0.00098 0.00346 163 5PZ 0.00162 -0.00188 0.00113 -0.00135 0.00595 164 9 O 1S -0.00003 0.00002 0.00003 0.00131 0.00016 165 2S 0.00005 0.00025 -0.00034 -0.00251 -0.00048 166 3S -0.00066 -0.00074 0.00050 -0.00594 -0.00195 167 4PX -0.00070 0.00012 -0.00023 -0.00724 -0.00788 168 4PY -0.00086 0.00115 -0.00042 0.00870 -0.00510 169 4PZ -0.00155 0.00248 -0.00080 0.00143 -0.00953 170 5PX -0.00252 0.00160 -0.00147 -0.00260 -0.00475 171 5PY -0.00175 0.00093 -0.00003 0.00214 -0.00402 172 5PZ -0.00122 0.00195 -0.00064 0.00194 -0.00615 141 142 143 144 145 141 5PZ 0.01975 142 6PX -0.00084 0.00965 143 6PY -0.00219 -0.00074 0.00822 144 6PZ 0.00195 0.00020 -0.00161 0.00639 145 7D 0 0.03002 0.01402 0.00085 0.00340 0.74376 146 7D+1 -0.03279 0.02611 -0.00424 -0.02868 0.00357 147 7D-1 -0.02068 0.00878 0.00861 -0.01030 -0.00009 148 7D+2 -0.00333 -0.02406 0.00565 0.00355 0.00005 149 7D-2 0.00370 -0.02642 -0.03257 -0.00410 0.00357 150 8D 0 0.00993 0.00478 0.00040 0.00106 0.24738 151 8D+1 -0.01060 0.00906 -0.00128 -0.00974 0.00082 152 8D-1 -0.00661 0.00318 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5PZ 0.00255 -0.00211 -0.00179 -0.00326 -0.00069 146 147 148 149 150 146 7D+1 0.75233 147 7D-1 -0.00265 0.75490 148 7D+2 0.00100 -0.00032 0.74311 149 7D-2 0.00146 0.00169 0.00106 0.75183 150 8D 0 0.00073 -0.00008 0.00045 0.00006 0.08232 151 8D+1 0.25030 -0.00047 -0.00015 -0.00028 0.00014 152 8D-1 -0.00011 0.25138 0.00019 -0.00017 -0.00007 153 8D+2 -0.00039 0.00000 0.24695 0.00044 0.00026 154 8D-2 -0.00035 0.00021 0.00040 0.25013 -0.00029 155 8 C 1S 0.00272 -0.00102 0.00169 -0.00245 -0.00024 156 2S -0.00691 0.00595 -0.00483 0.00483 0.00090 157 3S -0.01793 -0.00668 -0.00183 0.03002 0.00078 158 4PX -0.00177 0.00323 -0.00662 0.00016 0.00143 159 4PY -0.00754 0.00652 -0.00276 0.00553 0.00104 160 4PZ 0.00036 0.00471 0.00810 -0.00125 -0.00056 161 5PX -0.00610 0.01410 -0.00059 0.00589 0.00066 162 5PY -0.00730 -0.00090 0.01377 -0.00176 -0.00442 163 5PZ -0.00667 0.00468 -0.00832 -0.00691 0.00049 164 9 O 1S -0.00050 -0.00002 -0.00081 0.00034 0.00008 165 2S 0.00171 -0.00042 0.00084 -0.00062 0.00010 166 3S 0.00147 0.00169 0.00982 -0.00443 -0.00211 167 4PX 0.00613 -0.00520 0.00803 -0.00575 -0.00142 168 4PY 0.00431 -0.00368 0.00124 -0.00425 -0.00106 169 4PZ -0.00086 -0.00403 -0.00612 -0.00190 -0.00092 170 5PX 0.00583 -0.00668 0.00384 -0.00539 -0.00081 171 5PY 0.00285 -0.00189 -0.00108 -0.00409 -0.00064 172 5PZ 0.00195 -0.00293 -0.00146 0.00048 -0.00046 151 152 153 154 155 151 8D+1 0.08339 152 8D-1 0.00012 0.08384 153 8D+2 -0.00032 0.00008 0.08211 154 8D-2 -0.00041 -0.00020 0.00019 0.08335 155 8 C 1S 0.00086 -0.00036 0.00057 -0.00086 1.04810 156 2S -0.00248 0.00203 -0.00174 0.00206 -0.10172 157 3S -0.00562 -0.00255 -0.00085 0.00979 -0.10804 158 4PX -0.00074 0.00171 -0.00259 0.00004 -0.00031 159 4PY -0.00193 0.00214 -0.00134 0.00124 -0.02831 160 4PZ -0.00001 0.00160 0.00327 -0.00029 0.00685 161 5PX -0.00207 0.00503 -0.00029 0.00193 0.00149 162 5PY -0.00248 -0.00033 0.00457 -0.00055 -0.02315 163 5PZ -0.00217 0.00163 -0.00270 -0.00239 0.00795 164 9 O 1S 0.00002 -0.00010 -0.00045 -0.00019 0.00578 165 2S 0.00018 0.00004 0.00068 0.00038 -0.00929 166 3S 0.00026 0.00072 0.00349 -0.00114 0.01085 167 4PX 0.00141 -0.00164 0.00223 -0.00133 0.00936 168 4PY 0.00073 -0.00120 0.00085 -0.00051 -0.04656 169 4PZ -0.00005 -0.00143 -0.00176 -0.00068 0.02462 170 5PX 0.00167 -0.00231 0.00113 -0.00150 0.00242 171 5PY 0.00080 -0.00065 -0.00031 -0.00117 -0.00542 172 5PZ 0.00067 -0.00101 -0.00035 0.00026 0.00468 156 157 158 159 160 156 2S 0.26225 157 3S 0.21442 0.24380 158 4PX 0.00560 -0.00560 0.18397 159 4PY 0.04882 0.15544 -0.00532 0.33255 160 4PZ -0.00500 -0.04730 0.01656 -0.04830 0.20762 161 5PX 0.00076 0.00380 0.03444 0.01258 0.00150 162 5PY 0.04700 0.04166 0.00626 0.00950 0.01381 163 5PZ -0.01099 -0.00543 0.00313 0.02255 0.02923 164 9 O 1S -0.00543 0.02276 -0.00412 0.03329 -0.01413 165 2S 0.00478 -0.05234 0.00981 -0.08237 0.03444 166 3S -0.04988 -0.06111 -0.00428 0.00523 -0.00726 167 4PX -0.02255 -0.02041 0.22191 0.05012 -0.03346 168 4PY 0.11959 -0.01250 0.05170 -0.21192 0.18548 169 4PZ -0.06126 -0.02397 -0.03385 0.18334 0.14429 170 5PX -0.00650 -0.01106 0.08053 0.00859 -0.01196 171 5PY 0.01353 -0.00940 0.01005 -0.02737 0.04317 172 5PZ -0.01231 -0.01242 -0.01233 0.04128 0.06054 161 162 163 164 165 161 5PX 0.01043 162 5PY 0.00111 0.01383 163 5PZ 0.00339 -0.00012 0.01228 164 9 O 1S 0.00017 -0.00305 0.00095 1.05930 165 2S -0.00008 0.00085 -0.00021 -0.12954 0.30223 166 3S 0.00069 -0.01003 0.00359 -0.12469 0.26274 167 4PX 0.02984 -0.00681 -0.00378 -0.00284 0.00528 168 4PY -0.00652 0.02872 -0.00767 0.01700 -0.02918 169 4PZ -0.00384 -0.00805 0.03063 -0.00821 0.01466 170 5PX 0.00821 -0.00285 -0.00320 -0.00241 0.00586 171 5PY -0.00246 0.00285 -0.00128 0.01515 -0.03635 172 5PZ -0.00329 -0.00180 0.00707 -0.00715 0.01728 166 167 168 169 170 166 3S 0.27112 167 4PX 0.02264 0.42249 168 4PY -0.14011 0.00678 0.43409 169 4PZ 0.06654 0.00776 0.00429 0.42467 170 5PX 0.00938 0.16706 0.01360 0.00019 0.06798 171 5PY -0.05005 0.01514 0.09997 0.03692 0.00841 172 5PZ 0.02553 -0.00021 0.03489 0.15506 0.00033 171 172 171 5PY 0.03106 172 5PZ 0.02034 0.06134 BETA DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.00574 2 2S 0.00854 0.17978 3 3S 0.00455 0.09839 0.16984 4 4PX 0.00173 0.01258 -0.01642 0.99606 5 4PY 0.00190 0.01001 -0.02910 0.00018 0.99541 6 4PZ 0.00207 0.01584 -0.01694 0.00037 0.00034 7 5PX -0.00101 -0.01880 -0.03126 0.01889 0.00265 8 5PY -0.00154 -0.00847 -0.02790 0.00220 0.02264 9 5PZ -0.00109 -0.02496 -0.03858 0.00072 0.00277 10 6PX -0.00060 0.00628 -0.00605 -0.00640 0.00427 11 6PY 0.00012 -0.00475 -0.01032 0.00258 -0.00479 12 6PZ -0.00090 0.01003 -0.00654 0.00358 0.00505 13 7D 0 -0.00039 -0.00708 -0.00853 -0.00090 -0.00067 14 7D+1 -0.00045 -0.01342 -0.04301 0.00078 -0.00031 15 7D-1 -0.00062 -0.00781 -0.07165 -0.00022 0.00025 16 7D+2 -0.00052 -0.00501 -0.00688 0.00102 -0.00132 17 7D-2 -0.00034 -0.00549 -0.05434 -0.00141 0.00070 18 8D 0 -0.00026 -0.00144 -0.00266 -0.00011 0.00012 19 8D+1 -0.00020 -0.00197 -0.01284 0.00006 -0.00011 20 8D-1 -0.00019 -0.00027 -0.02252 0.00002 -0.00056 21 8D+2 -0.00035 -0.00113 -0.00256 0.00031 0.00000 22 8D-2 -0.00005 -0.00006 -0.01690 -0.00102 -0.00028 23 2 Cu 1S -0.00116 -0.00307 -0.00172 0.00066 0.00076 24 2S -0.00374 0.08544 0.03263 0.00337 0.00654 25 3S -0.00248 -0.02370 -0.06312 -0.00745 0.01535 26 4PX 0.00008 0.00052 -0.00248 0.00014 0.00023 27 4PY -0.00039 -0.00902 -0.00249 -0.00062 0.00020 28 4PZ -0.00201 -0.02097 -0.01266 -0.00099 -0.00017 29 5PX 0.00031 0.00530 0.00618 -0.00135 0.00069 30 5PY 0.00066 0.02657 0.01269 0.00368 -0.00360 31 5PZ -0.00124 0.03450 -0.00180 0.00305 0.00450 32 6PX -0.00087 0.00609 -0.00383 0.00626 0.00104 33 6PY -0.00077 0.01130 0.00007 -0.00068 0.00202 34 6PZ -0.00108 -0.01107 -0.01925 -0.00158 -0.00044 35 7D 0 -0.00041 0.01345 0.09204 0.00147 0.00902 36 7D+1 0.00170 0.02055 0.04139 -0.00821 0.00109 37 7D-1 0.00209 0.02132 0.09404 0.00156 -0.00646 38 7D+2 -0.00100 -0.01338 -0.02655 -0.00193 0.00190 39 7D-2 0.00051 0.01018 0.03282 -0.00353 -0.00062 40 8D 0 0.00022 0.00428 0.03079 0.00082 0.00250 41 8D+1 0.00065 0.00615 0.01365 -0.00295 0.00027 42 8D-1 0.00087 0.00735 0.03223 0.00055 -0.00282 43 8D+2 -0.00027 -0.00488 -0.00914 -0.00066 0.00044 44 8D-2 0.00013 0.00487 0.01117 -0.00128 -0.00025 45 3 Cu 1S -0.00115 -0.00308 -0.00175 0.00079 0.00072 46 2S -0.00373 0.08514 0.03228 0.00985 0.00552 47 3S -0.00250 -0.02378 -0.06317 0.02422 0.01040 48 4PX -0.00196 -0.02137 -0.01155 0.00083 -0.00048 49 4PY -0.00008 -0.00567 -0.00116 0.00108 0.00003 50 4PZ -0.00058 -0.00559 -0.00644 0.00049 0.00003 51 5PX -0.00114 0.03536 -0.00110 0.00116 0.00364 52 5PY 0.00087 0.02191 0.01389 -0.00268 -0.00311 53 5PZ -0.00024 0.01325 0.00331 0.00200 0.00233 54 6PX -0.00085 -0.00990 -0.01633 0.00796 -0.00208 55 6PY -0.00073 0.01367 0.00215 -0.00100 0.00253 56 6PZ -0.00106 0.00021 -0.01012 -0.00169 0.00165 57 7D 0 0.00006 -0.00647 -0.04049 -0.00142 -0.00082 58 7D+1 0.00131 0.02751 0.09177 0.01169 0.00294 59 7D-1 0.00080 0.00970 0.04334 0.00281 -0.00392 60 7D+2 -0.00070 0.00195 0.06432 0.01026 0.00422 61 7D-2 0.00243 0.02087 0.06880 0.00355 -0.00817 62 8D 0 0.00000 -0.00312 -0.01394 0.00059 -0.00043 63 8D+1 0.00066 0.00897 0.03061 0.00161 0.00106 64 8D-1 0.00028 0.00455 0.01488 0.00088 -0.00161 65 8D+2 0.00009 0.00017 0.02162 0.00016 0.00132 66 8D-2 0.00089 0.00678 0.02367 0.00080 -0.00309 67 4 Cu 1S -0.00116 -0.00214 -0.00527 0.00018 0.00004 68 2S -0.00305 0.04071 0.02562 0.00366 0.00557 69 3S -0.00432 -0.02058 -0.06977 0.00880 0.03854 70 4PX -0.00051 -0.00715 -0.00721 0.00085 0.00036 71 4PY -0.00186 -0.02477 -0.01253 -0.00105 0.00080 72 4PZ -0.00034 -0.00482 -0.00778 -0.00024 0.00059 73 5PX -0.00034 0.02038 0.00589 -0.00370 0.00167 74 5PY -0.00145 0.05022 -0.01637 0.00560 -0.00225 75 5PZ -0.00019 0.01825 0.01186 0.00224 0.00170 76 6PX 0.00021 -0.00640 -0.00823 -0.00164 -0.00128 77 6PY 0.00019 -0.01520 -0.01987 -0.00039 0.00664 78 6PZ 0.00024 -0.00628 -0.00786 0.00222 -0.00375 79 7D 0 0.00034 -0.00353 -0.01538 -0.00010 -0.00508 80 7D+1 0.00032 0.00539 0.03496 -0.00088 0.00138 81 7D-1 0.00166 0.02152 0.05761 0.00155 0.00748 82 7D+2 0.00088 -0.00269 -0.03122 -0.00653 -0.00589 83 7D-2 0.00095 0.01686 0.05484 -0.00397 0.00840 84 8D 0 0.00012 -0.00030 -0.00472 0.00028 -0.00028 85 8D+1 0.00009 0.00292 0.01255 -0.00040 0.00038 86 8D-1 0.00069 0.00677 0.01895 0.00024 0.00144 87 8D+2 0.00037 -0.00035 -0.01040 -0.00198 0.00015 88 8D-2 0.00039 0.00528 0.01821 -0.00163 0.00140 89 5 Cu 1S 0.00051 -0.00039 0.00057 0.00004 -0.00102 90 2S -0.00050 -0.04102 -0.00491 -0.00479 0.00023 91 3S 0.00066 0.00390 0.01101 0.00406 -0.01471 92 4PX -0.00001 -0.00471 0.00427 -0.00004 0.00007 93 4PY 0.00080 -0.00276 0.00411 -0.00006 -0.00019 94 4PZ 0.00090 -0.00040 0.01280 -0.00006 -0.00013 95 5PX -0.00001 0.00938 -0.00052 -0.00044 0.00075 96 5PY 0.00033 0.01129 0.00838 0.00167 -0.00224 97 5PZ 0.00027 0.00778 0.00153 0.00078 -0.00419 98 6PX 0.00031 -0.00356 0.00300 -0.00169 0.00052 99 6PY 0.00038 0.01037 0.01068 0.00024 -0.00382 100 6PZ 0.00065 0.00502 0.00849 0.00235 -0.00160 101 7D 0 -0.00031 0.00014 -0.02050 0.00002 0.00006 102 7D+1 -0.00069 -0.00128 -0.06663 0.00041 0.00038 103 7D-1 -0.00274 -0.01371 -0.09327 -0.00070 0.00181 104 7D+2 0.00078 0.02105 -0.00146 0.00026 -0.00134 105 7D-2 -0.00028 0.00336 -0.00825 -0.00074 0.00014 106 8D 0 -0.00010 0.00052 -0.00708 0.00001 -0.00046 107 8D+1 -0.00020 -0.00011 -0.02224 0.00013 0.00017 108 8D-1 -0.00084 -0.00573 -0.03199 -0.00038 0.00043 109 8D+2 0.00019 0.00762 -0.00020 -0.00003 -0.00035 110 8D-2 -0.00008 0.00203 -0.00286 -0.00004 0.00001 111 6 Cu 1S 0.00039 -0.00127 -0.00154 -0.00074 -0.00089 112 2S -0.00134 -0.05036 -0.00637 -0.00032 0.00003 113 3S 0.00055 -0.01119 0.02397 -0.00593 -0.00134 114 4PX 0.00038 -0.00165 0.00259 0.00066 -0.00039 115 4PY 0.00035 -0.00827 0.00669 -0.00052 -0.00016 116 4PZ 0.00047 -0.00059 0.00226 -0.00098 -0.00021 117 5PX -0.00009 0.00089 0.00531 -0.00265 -0.00042 118 5PY 0.00019 0.02170 0.01013 0.00020 -0.00090 119 5PZ -0.00017 -0.00338 0.00544 0.00030 -0.00102 120 6PX 0.00047 0.00689 0.00975 -0.00077 -0.00053 121 6PY -0.00087 0.00552 0.00091 0.00094 0.00004 122 6PZ 0.00089 0.00898 0.01422 -0.00196 -0.00069 123 7D 0 -0.00029 0.00090 -0.00387 -0.00147 0.00091 124 7D+1 -0.00223 -0.01324 -0.01720 0.00132 0.00082 125 7D-1 -0.00207 -0.01939 -0.04045 0.00016 0.00096 126 7D+2 0.00037 0.00428 -0.00740 0.00012 0.00074 127 7D-2 -0.00185 -0.01675 -0.02860 0.00056 0.00049 128 8D 0 -0.00013 -0.00016 -0.00122 -0.00072 0.00020 129 8D+1 -0.00075 -0.00546 -0.00659 0.00033 0.00010 130 8D-1 -0.00064 -0.00827 -0.01477 -0.00017 0.00026 131 8D+2 0.00008 0.00084 -0.00216 0.00026 0.00009 132 8D-2 -0.00057 -0.00680 -0.01064 0.00014 0.00012 133 7 Cu 1S 0.00051 -0.00039 0.00057 -0.00096 -0.00088 134 2S -0.00050 -0.04091 -0.00528 0.00409 -0.00115 135 3S 0.00066 0.00381 0.01072 -0.00600 -0.01326 136 4PX 0.00101 0.00058 0.01136 -0.00029 -0.00015 137 4PY 0.00065 -0.00356 0.00314 -0.00070 -0.00005 138 4PZ 0.00019 -0.00411 0.00766 0.00014 0.00001 139 5PX 0.00032 0.00647 0.00321 -0.00228 -0.00407 140 5PY 0.00027 0.01168 0.00766 -0.00125 -0.00102 141 5PZ 0.00004 0.00979 -0.00108 -0.00068 -0.00039 142 6PX 0.00058 0.00792 0.00910 -0.00422 -0.00135 143 6PY 0.00035 0.00856 0.00981 0.00026 -0.00347 144 6PZ 0.00048 -0.00279 0.00450 -0.00099 0.00044 145 7D 0 0.00059 0.01493 -0.02097 -0.00117 -0.00069 146 7D+1 -0.00080 -0.00484 -0.05736 0.00031 0.00057 147 7D-1 -0.00090 0.00491 -0.03477 0.00116 0.00000 148 7D+2 -0.00046 0.00525 -0.02553 0.00066 -0.00025 149 7D-2 -0.00261 -0.01856 -0.08938 0.00056 0.00181 150 8D 0 0.00015 0.00533 -0.00661 -0.00015 -0.00001 151 8D+1 -0.00022 -0.00100 -0.01931 -0.00002 -0.00004 152 8D-1 -0.00029 0.00215 -0.01189 0.00012 0.00003 153 8D+2 -0.00017 0.00168 -0.00881 0.00025 -0.00048 154 8D-2 -0.00078 -0.00761 -0.03057 -0.00022 0.00060 155 8 C 1S -0.00059 0.00108 -0.01589 0.00043 -0.00025 156 2S 0.00162 -0.00233 0.02968 -0.00085 0.00225 157 3S 0.00332 -0.00179 0.02131 -0.00241 -0.00931 158 4PX 0.00009 0.01442 -0.00618 -0.00055 0.00005 159 4PY -0.00028 0.00544 -0.00088 -0.00079 0.00114 160 4PZ 0.00021 0.01976 -0.00861 0.00151 -0.00054 161 5PX -0.00018 0.00638 0.00120 -0.00025 0.00045 162 5PY 0.00062 0.00363 0.00566 -0.00014 0.00120 163 5PZ -0.00040 0.00833 0.00039 -0.00017 0.00038 164 9 O 1S -0.00041 -0.00142 0.00181 -0.00007 0.00009 165 2S 0.00078 0.00353 -0.00493 0.00020 -0.00103 166 3S -0.00055 0.00202 -0.01188 0.00043 0.00319 167 4PX -0.00023 -0.01422 -0.01925 0.00071 0.00039 168 4PY 0.00131 -0.00443 0.00635 0.00040 -0.00080 169 4PZ -0.00063 -0.01969 -0.02922 -0.00111 0.00107 170 5PX 0.00009 -0.00954 -0.00805 0.00039 -0.00012 171 5PY -0.00016 -0.00495 -0.00163 0.00041 0.00044 172 5PZ 0.00018 -0.01265 -0.01117 -0.00056 -0.00019 6 7 8 9 10 6 4PZ 0.99622 7 5PX 0.00060 0.01482 8 5PY 0.00210 0.00440 0.01373 9 5PZ 0.01841 0.00490 0.00563 0.01648 10 6PX 0.00322 0.00191 0.00113 0.00063 0.00613 11 6PY 0.00266 0.00046 -0.00044 0.00101 0.00020 12 6PZ -0.00525 0.00079 0.00202 0.00200 0.00190 13 7D 0 0.00179 -0.01922 -0.01638 0.02754 -0.00258 14 7D+1 -0.00021 0.02125 0.00142 0.01158 0.01667 15 7D-1 -0.00114 0.00499 0.02002 0.02966 0.00482 16 7D+2 0.00055 0.02223 -0.03192 0.00010 0.01278 17 7D-2 -0.00031 0.02366 0.02079 0.00530 0.02756 18 8D 0 0.00051 -0.00644 -0.00530 0.00889 -0.00077 19 8D+1 -0.00032 0.00656 0.00033 0.00320 0.00581 20 8D-1 -0.00070 0.00142 0.00625 0.00937 0.00180 21 8D+2 0.00045 0.00731 -0.01036 0.00005 0.00428 22 8D-2 -0.00002 0.00743 0.00656 0.00150 0.00934 23 2 Cu 1S 0.00092 -0.00015 0.00018 0.00095 0.00052 24 2S 0.01040 -0.00040 -0.00669 -0.01822 0.00367 25 3S 0.02021 0.00490 0.00186 0.01544 0.00593 26 4PX 0.00044 -0.00105 0.00042 -0.00121 0.00660 27 4PY 0.00099 0.00228 -0.00225 -0.00206 0.00044 28 4PZ 0.00055 -0.00006 -0.00045 0.00412 0.00516 29 5PX 0.00038 0.00059 0.00052 0.00051 -0.00131 30 5PY -0.00082 -0.00333 0.00136 0.00277 0.00018 31 5PZ 0.00233 -0.00353 0.00185 0.00373 0.00082 32 6PX -0.00274 0.00336 0.00196 0.00045 -0.00173 33 6PY 0.00034 0.00015 0.00405 0.00152 0.00060 34 6PZ 0.00705 0.00328 0.00655 0.00849 -0.00133 35 7D 0 0.01307 -0.01203 -0.03242 -0.05039 0.00601 36 7D+1 0.00323 0.02036 -0.00672 -0.01418 -0.00595 37 7D-1 0.00936 -0.00767 0.00282 -0.04279 -0.01253 38 7D+2 -0.00028 0.01363 -0.01380 0.00659 -0.00476 39 7D-2 0.00092 0.00874 0.00969 -0.00669 -0.01277 40 8D 0 0.00035 -0.00412 -0.01083 -0.01674 0.00189 41 8D+1 0.00067 0.00645 -0.00212 -0.00438 -0.00235 42 8D-1 0.00179 -0.00267 0.00060 -0.01441 -0.00411 43 8D+2 -0.00016 0.00461 -0.00461 0.00237 -0.00153 44 8D-2 0.00043 0.00285 0.00324 -0.00237 -0.00400 45 3 Cu 1S 0.00083 0.00099 0.00001 0.00018 0.00016 46 2S 0.00585 -0.01803 -0.00396 -0.00575 0.00253 47 3S -0.00192 0.01316 0.00061 0.00965 0.01291 48 4PX -0.00078 0.00314 -0.00134 0.00217 -0.00457 49 4PY -0.00010 -0.00367 -0.00118 0.00117 -0.00401 50 4PZ 0.00002 0.00114 0.00019 -0.00108 -0.00437 51 5PX 0.00389 0.00526 0.00041 -0.00268 0.00544 52 5PY 0.00283 0.00313 0.00029 -0.00180 -0.00003 53 5PZ -0.00056 0.00151 0.00066 0.00015 0.00184 54 6PX -0.00069 0.00797 0.00526 0.00376 0.00176 55 6PY -0.00001 0.00086 0.00325 -0.00001 0.00052 56 6PZ 0.00477 0.00225 0.00382 0.00453 0.00157 57 7D 0 -0.00658 0.00776 -0.00357 0.02915 0.00516 58 7D+1 -0.00273 -0.04260 -0.00985 -0.00477 -0.00954 59 7D-1 -0.00115 -0.01407 0.01170 0.00233 0.00074 60 7D+2 0.00666 -0.04064 -0.02558 -0.02180 -0.00678 61 7D-2 0.00361 -0.02337 0.01193 -0.01622 -0.00381 62 8D 0 -0.00203 0.00295 -0.00116 0.00974 0.00170 63 8D+1 -0.00172 -0.01386 -0.00328 -0.00184 -0.00314 64 8D-1 -0.00045 -0.00483 0.00380 0.00070 0.00012 65 8D+2 0.00146 -0.01356 -0.00869 -0.00721 -0.00210 66 8D-2 0.00108 -0.00786 0.00370 -0.00553 -0.00142 67 4 Cu 1S 0.00025 0.00090 0.00238 0.00079 0.00054 68 2S 0.00402 -0.00444 -0.01165 -0.00380 -0.00296 69 3S 0.00419 0.01157 0.01994 0.01226 0.00614 70 4PX -0.00055 -0.00275 0.00182 0.00187 0.00287 71 4PY -0.00141 0.00231 0.00373 0.00152 0.00038 72 4PZ 0.00070 0.00178 0.00095 -0.00199 -0.00008 73 5PX 0.00305 0.00261 0.00258 -0.00312 0.00218 74 5PY 0.00713 0.00070 0.01290 -0.00076 0.00494 75 5PZ -0.00328 -0.00270 0.00185 0.00006 -0.00094 76 6PX 0.00229 -0.00108 -0.00082 0.00170 -0.00828 77 6PY -0.00272 0.00110 0.00132 0.00076 -0.00314 78 6PZ 0.00078 0.00137 -0.00189 0.00017 0.00122 79 7D 0 -0.00373 -0.00151 0.01830 0.01587 0.00965 80 7D+1 -0.00059 0.00347 -0.00959 -0.00013 -0.00267 81 7D-1 -0.00641 -0.00868 -0.03213 0.01036 0.00011 82 7D+2 -0.00256 0.02233 0.02233 0.00869 -0.00902 83 7D-2 0.00106 0.00226 -0.03332 -0.00582 -0.01152 84 8D 0 -0.00136 -0.00063 0.00605 0.00521 0.00314 85 8D+1 -0.00022 0.00102 -0.00294 -0.00044 -0.00086 86 8D-1 -0.00235 -0.00254 -0.01013 0.00308 0.00023 87 8D+2 -0.00087 0.00731 0.00737 0.00301 -0.00291 88 8D-2 0.00023 0.00023 -0.01052 -0.00173 -0.00381 89 5 Cu 1S -0.00079 -0.00004 -0.00038 -0.00037 0.00019 90 2S 0.00271 0.01130 -0.00705 -0.00986 -0.00327 91 3S -0.00189 -0.00057 -0.00277 -0.00851 0.00248 92 4PX 0.00006 -0.00042 -0.00094 -0.00160 -0.00103 93 4PY -0.00080 0.00040 -0.00139 -0.00059 -0.00021 94 4PZ -0.00012 -0.00064 -0.00410 -0.00206 -0.00055 95 5PX -0.00049 0.00161 0.00073 -0.00001 0.00077 96 5PY -0.00062 -0.00024 0.00149 -0.00282 0.00009 97 5PZ -0.00119 -0.00054 -0.00037 0.00192 0.00015 98 6PX -0.00011 0.00068 -0.00022 -0.00004 0.00151 99 6PY 0.00045 -0.00264 -0.00086 -0.00130 0.00158 100 6PZ -0.00346 -0.00183 -0.00279 -0.00344 0.00059 101 7D 0 0.00088 0.00045 0.00313 0.00319 0.00681 102 7D+1 -0.00052 0.00214 0.01441 0.00769 -0.02033 103 7D-1 0.00064 0.00139 0.01485 0.01902 -0.00505 104 7D+2 -0.00002 0.00429 0.00421 0.00854 -0.01359 105 7D-2 0.00082 -0.00050 -0.00339 0.00102 0.00723 106 8D 0 0.00037 0.00015 0.00111 0.00110 0.00234 107 8D+1 -0.00023 0.00076 0.00488 0.00252 -0.00671 108 8D-1 -0.00030 0.00079 0.00503 0.00665 -0.00167 109 8D+2 0.00019 0.00135 0.00133 0.00289 -0.00446 110 8D-2 0.00012 -0.00044 -0.00127 0.00054 0.00256 111 6 Cu 1S -0.00086 0.00031 0.00059 0.00031 -0.00007 112 2S -0.00049 -0.00014 -0.00431 0.00080 -0.01051 113 3S -0.00808 0.00598 0.00407 0.00773 -0.01122 114 4PX -0.00101 -0.00277 0.00047 0.00143 -0.00114 115 4PY -0.00040 -0.00043 -0.00142 -0.00113 -0.00029 116 4PZ 0.00008 0.00162 0.00013 -0.00156 -0.00076 117 5PX 0.00041 0.00796 0.00003 -0.00307 -0.00405 118 5PY -0.00013 -0.00125 0.00195 -0.00002 0.00034 119 5PZ -0.00222 -0.00284 0.00183 0.00569 -0.00133 120 6PX -0.00163 -0.00065 -0.00095 -0.00145 -0.00010 121 6PY 0.00136 0.00156 0.00274 0.00178 -0.00183 122 6PZ -0.00218 -0.00208 -0.00190 -0.00203 -0.00027 123 7D 0 0.00054 0.00838 0.00029 -0.00075 -0.00288 124 7D+1 0.00055 0.00023 -0.00041 0.00603 -0.00015 125 7D-1 0.00052 0.00170 0.00476 0.00246 0.00666 126 7D+2 -0.00170 0.00011 0.00434 0.00536 -0.00331 127 7D-2 0.00073 0.00324 0.00173 -0.00067 -0.00115 128 8D 0 0.00034 0.00284 0.00023 -0.00031 -0.00108 129 8D+1 -0.00010 0.00033 -0.00004 0.00242 -0.00008 130 8D-1 0.00008 0.00069 0.00193 0.00109 0.00193 131 8D+2 -0.00056 -0.00008 0.00172 0.00155 -0.00128 132 8D-2 0.00000 0.00141 0.00072 -0.00004 -0.00037 133 7 Cu 1S -0.00010 -0.00040 -0.00033 -0.00012 -0.00038 134 2S -0.00353 -0.01411 -0.00314 0.00805 -0.01066 135 3S 0.00500 -0.00818 -0.00161 -0.00305 -0.01182 136 4PX -0.00012 -0.00205 -0.00354 -0.00038 -0.00357 137 4PY -0.00030 -0.00089 -0.00076 0.00027 -0.00001 138 4PZ -0.00001 -0.00214 -0.00185 -0.00104 -0.00099 139 5PX 0.00134 0.00145 -0.00066 -0.00049 -0.00233 140 5PY 0.00130 -0.00247 0.00206 -0.00110 -0.00102 141 5PZ -0.00054 0.00060 0.00043 0.00156 0.00246 142 6PX 0.00180 -0.00290 -0.00260 -0.00309 -0.00026 143 6PY 0.00040 -0.00017 -0.00083 -0.00222 0.00141 144 6PZ -0.00124 -0.00132 -0.00084 0.00006 -0.00204 145 7D 0 0.00043 0.00750 0.00893 0.00511 0.01135 146 7D+1 0.00012 0.00579 0.00903 0.00058 0.00563 147 7D-1 -0.00050 0.00900 0.00129 0.00416 0.01173 148 7D+2 0.00028 0.00974 0.00507 0.00495 -0.01272 149 7D-2 -0.00062 0.01694 0.01288 0.00374 0.00788 150 8D 0 0.00005 0.00243 0.00298 0.00167 0.00383 151 8D+1 0.00014 0.00194 0.00308 0.00016 0.00207 152 8D-1 -0.00017 0.00330 0.00024 0.00137 0.00404 153 8D+2 0.00002 0.00332 0.00175 0.00180 -0.00436 154 8D-2 -0.00052 0.00572 0.00447 0.00165 0.00242 155 8 C 1S 0.00067 0.00055 0.00577 -0.00043 0.00268 156 2S -0.00169 -0.00120 -0.01186 0.00074 -0.00503 157 3S -0.00142 0.00103 -0.01207 0.00406 -0.00351 158 4PX 0.00130 0.00329 0.00263 -0.00234 -0.00331 159 4PY -0.00171 0.00235 -0.00232 0.00490 -0.00036 160 4PZ 0.00083 -0.00234 0.00542 -0.00006 0.00054 161 5PX -0.00030 0.00205 -0.00011 -0.00155 0.00022 162 5PY -0.00050 0.00002 -0.00089 0.00091 -0.00032 163 5PZ -0.00042 -0.00157 0.00078 0.00072 0.00043 164 9 O 1S -0.00013 -0.00036 -0.00002 -0.00054 -0.00185 165 2S 0.00052 0.00065 0.00077 0.00083 0.00398 166 3S -0.00009 0.00190 0.00364 0.00194 0.00524 167 4PX -0.00108 -0.00122 -0.00029 0.00246 -0.00949 168 4PY 0.00108 -0.00336 -0.00297 -0.00493 -0.00644 169 4PZ -0.00044 0.00323 -0.00032 0.00181 0.00034 170 5PX -0.00043 -0.00159 -0.00041 0.00158 -0.00419 171 5PY 0.00066 -0.00070 -0.00043 -0.00156 -0.00202 172 5PZ -0.00007 0.00166 -0.00108 0.00000 -0.00042 11 12 13 14 15 11 6PY 0.00832 12 6PZ -0.00050 0.00762 13 7D 0 -0.00322 0.01373 0.74181 14 7D+1 0.01077 0.01815 0.00021 0.74985 15 7D-1 0.02704 0.02720 -0.00064 -0.00085 0.75361 16 7D+2 -0.00808 0.00008 -0.00055 -0.00503 0.00466 17 7D-2 0.01914 0.00303 0.00358 -0.00134 -0.00280 18 8D 0 -0.00107 0.00469 0.24655 0.00057 0.00024 19 8D+1 0.00377 0.00637 0.00067 0.24969 -0.00003 20 8D-1 0.00931 0.00927 0.00026 0.00002 0.24991 21 8D+2 -0.00271 0.00007 -0.00075 -0.00111 0.00083 22 8D-2 0.00661 0.00118 0.00083 0.00019 -0.00024 23 2 Cu 1S 0.00056 0.00023 0.00280 -0.00069 -0.00026 24 2S -0.00441 0.00505 0.04136 -0.00389 0.00293 25 3S 0.00630 0.01465 0.13520 -0.02267 0.10080 26 4PX -0.00114 -0.00113 -0.00272 0.00952 -0.00153 27 4PY 0.00482 -0.00541 -0.01094 -0.00126 0.00438 28 4PZ 0.00430 -0.00477 -0.01421 -0.00194 -0.01029 29 5PX -0.00190 -0.00011 0.00114 -0.03398 0.00250 30 5PY -0.00151 0.00129 0.04006 0.00409 -0.03201 31 5PZ 0.00086 0.00629 0.07335 -0.00638 0.03258 32 6PX -0.00110 0.00073 -0.01735 -0.00597 -0.00154 33 6PY -0.00570 0.00215 -0.01249 -0.00058 -0.03498 34 6PZ -0.00537 0.00301 -0.00426 -0.01620 -0.01700 35 7D 0 0.02002 -0.01435 -0.00965 -0.00404 -0.02149 36 7D+1 -0.01404 -0.00255 -0.00756 0.02513 -0.00179 37 7D-1 -0.00559 -0.00865 -0.02026 -0.00379 0.01868 38 7D+2 0.01693 -0.00075 -0.00007 -0.00026 -0.00638 39 7D-2 -0.00585 -0.00320 -0.00402 0.00976 0.00145 40 8D 0 0.00688 -0.00466 -0.00178 -0.00058 -0.00431 41 8D+1 -0.00468 -0.00104 -0.00327 0.00257 0.00053 42 8D-1 -0.00206 -0.00295 -0.00464 -0.00026 0.00270 43 8D+2 0.00581 -0.00021 -0.00068 -0.00128 0.00003 44 8D-2 -0.00203 -0.00106 -0.00017 0.00198 -0.00022 45 3 Cu 1S 0.00064 0.00048 -0.00095 0.00084 -0.00099 46 2S -0.00431 0.00597 -0.01387 0.01923 -0.00369 47 3S 0.00533 0.00982 -0.06808 0.05445 0.02449 48 4PX 0.00645 0.00000 0.00394 -0.01209 -0.00145 49 4PY 0.00458 -0.00124 0.00119 -0.00388 0.00302 50 4PZ 0.00164 0.00664 0.00835 0.00281 -0.00054 51 5PX 0.00049 0.00310 -0.02720 0.04716 0.00113 52 5PY -0.00200 0.00015 -0.01195 0.01953 -0.00984 53 5PZ -0.00171 0.00001 -0.02202 -0.01764 0.00228 54 6PX -0.00601 0.00130 -0.01593 -0.00275 0.00488 55 6PY -0.00493 0.00172 0.00267 -0.00111 0.00833 56 6PZ -0.00274 -0.00122 0.00730 -0.02164 -0.00429 57 7D 0 -0.00186 -0.00285 0.00322 0.01346 0.00546 58 7D+1 -0.00358 -0.00475 0.02340 0.00605 0.00071 59 7D-1 -0.00519 -0.01752 0.00266 -0.00099 -0.00186 60 7D+2 0.02762 -0.00525 -0.00527 -0.01492 -0.00654 61 7D-2 -0.01613 -0.00743 -0.00734 -0.00426 0.01295 62 8D 0 -0.00055 -0.00118 -0.00020 -0.00016 0.00201 63 8D+1 -0.00118 -0.00190 0.00505 -0.00072 0.00039 64 8D-1 -0.00178 -0.00555 0.00031 0.00006 0.00010 65 8D+2 0.00936 -0.00174 -0.00143 -0.00249 -0.00116 66 8D-2 -0.00561 -0.00257 -0.00236 -0.00060 0.00260 67 4 Cu 1S 0.00049 0.00064 -0.00080 -0.00072 -0.00052 68 2S 0.00083 -0.00431 -0.01966 -0.00259 0.00793 69 3S 0.01383 0.00564 -0.06921 0.00696 0.02863 70 4PX -0.00299 0.00063 0.00309 -0.00001 -0.00244 71 4PY -0.00450 0.00210 0.00816 -0.00040 -0.00497 72 4PZ -0.00262 0.00331 0.00212 0.00123 0.00376 73 5PX -0.00298 0.00074 -0.02558 0.00141 0.01321 74 5PY 0.00346 0.00682 -0.05148 0.00818 0.02457 75 5PZ -0.00463 0.00173 0.00357 -0.02032 -0.03815 76 6PX 0.00516 -0.00055 -0.02775 0.02387 0.02165 77 6PY 0.00731 -0.00781 0.01913 -0.00902 -0.00879 78 6PZ 0.00404 -0.00782 0.03351 -0.00632 -0.02461 79 7D 0 -0.01065 -0.00327 -0.00388 0.00172 0.01145 80 7D+1 -0.01014 0.00442 0.00079 -0.00696 0.00579 81 7D-1 -0.00080 -0.01447 0.02157 0.01057 0.01537 82 7D+2 -0.00629 0.00545 -0.00085 0.00897 0.00601 83 7D-2 0.00232 -0.00159 0.00106 0.00813 -0.00592 84 8D 0 -0.00370 -0.00100 -0.00045 0.00008 0.00152 85 8D+1 -0.00339 0.00143 -0.00071 -0.00174 0.00010 86 8D-1 -0.00056 -0.00455 0.00512 0.00267 0.00224 87 8D+2 -0.00246 0.00196 0.00037 0.00232 0.00147 88 8D-2 0.00069 -0.00033 -0.00014 0.00234 -0.00051 89 5 Cu 1S -0.00034 -0.00027 -0.00016 0.00030 -0.00276 90 2S -0.00193 -0.01224 -0.01661 -0.00282 -0.01429 91 3S -0.00394 -0.01094 0.01714 0.00838 -0.08261 92 4PX -0.00309 0.00056 -0.00012 0.00075 -0.00059 93 4PY -0.00363 0.00015 0.00048 0.00084 -0.00068 94 4PZ -0.00084 -0.00397 -0.00095 0.00006 -0.00189 95 5PX 0.00032 0.00321 -0.00230 0.00029 0.00033 96 5PY -0.00308 -0.00122 0.01130 0.00060 -0.01807 97 5PZ -0.00164 -0.00082 0.00601 -0.00285 -0.01084 98 6PX -0.00104 -0.00095 0.00973 -0.00802 -0.00442 99 6PY -0.00098 0.00248 -0.01084 0.01368 -0.00513 100 6PZ 0.00140 -0.00134 0.01943 -0.00136 0.00148 101 7D 0 0.01511 -0.01428 0.00232 -0.00102 -0.00291 102 7D+1 0.01365 0.00651 0.00143 0.00102 0.00206 103 7D-1 0.00311 0.00375 -0.00019 0.00049 -0.00682 104 7D+2 0.01268 -0.00491 0.00203 -0.00181 0.00371 105 7D-2 0.00004 0.01343 -0.00189 0.00632 -0.00033 106 8D 0 0.00505 -0.00470 0.00089 -0.00040 -0.00163 107 8D+1 0.00452 0.00236 0.00081 0.00084 0.00082 108 8D-1 0.00078 0.00111 -0.00003 -0.00013 -0.00453 109 8D+2 0.00431 -0.00160 0.00003 -0.00048 0.00215 110 8D-2 0.00027 0.00472 -0.00062 0.00273 0.00003 111 6 Cu 1S -0.00060 0.00000 0.00005 -0.00113 -0.00193 112 2S -0.00303 -0.01427 0.00095 0.00014 -0.01179 113 3S -0.01254 -0.01349 -0.01023 -0.06113 -0.06031 114 4PX -0.00054 -0.00069 0.00231 -0.00150 0.00065 115 4PY -0.00364 0.00025 -0.00103 -0.00199 -0.00043 116 4PZ -0.00008 -0.00165 -0.00176 0.00023 -0.00141 117 5PX -0.00389 -0.00046 -0.00572 -0.00447 -0.01393 118 5PY -0.00323 0.00053 0.00214 -0.00201 -0.00394 119 5PZ -0.00561 -0.00388 0.00533 -0.01072 -0.01174 120 6PX -0.00015 -0.00064 0.01043 -0.00779 -0.01855 121 6PY -0.00282 -0.00192 -0.00710 -0.02165 -0.00654 122 6PZ 0.00037 -0.00014 -0.00366 0.00611 0.00114 123 7D 0 -0.00024 -0.00289 0.00210 0.00319 -0.00236 124 7D+1 0.00410 -0.00252 0.00088 -0.00418 -0.00567 125 7D-1 -0.00681 0.00448 0.00049 -0.00517 -0.00100 126 7D+2 -0.00542 -0.00120 0.00418 0.00549 -0.00349 127 7D-2 -0.00171 0.00817 -0.00485 -0.00430 -0.00122 128 8D 0 -0.00030 -0.00105 0.00157 0.00070 -0.00127 129 8D+1 0.00104 -0.00080 -0.00011 -0.00234 -0.00371 130 8D-1 -0.00229 0.00125 0.00008 -0.00182 -0.00103 131 8D+2 -0.00198 -0.00071 0.00160 0.00230 -0.00207 132 8D-2 -0.00060 0.00253 -0.00114 -0.00206 -0.00093 133 7 Cu 1S -0.00025 0.00014 0.00066 0.00038 0.00009 134 2S -0.00092 -0.00683 0.01278 -0.01311 0.00244 135 3S -0.00172 -0.00079 0.00091 0.03280 0.03342 136 4PX -0.00003 -0.00142 0.00086 -0.00043 0.00015 137 4PY -0.00406 0.00055 0.00114 0.00073 -0.00040 138 4PZ -0.00266 -0.00090 0.00081 0.00013 -0.00031 139 5PX -0.00183 -0.00045 -0.00772 0.00756 0.00685 140 5PY -0.00249 0.00047 -0.00287 0.00854 -0.00174 141 5PZ -0.00013 0.00167 0.00262 -0.00221 0.00166 142 6PX 0.00146 0.00002 0.00283 0.00921 0.00785 143 6PY -0.00125 0.00259 -0.00070 0.00901 0.00613 144 6PZ 0.00016 0.00074 -0.01830 0.00805 0.01290 145 7D 0 0.00614 -0.02414 -0.00366 0.00002 0.00186 146 7D+1 0.01338 -0.00713 0.00153 0.00239 0.00160 147 7D-1 0.00130 0.00465 0.00413 0.00304 0.00075 148 7D+2 0.01651 -0.00762 -0.00053 -0.00151 -0.00019 149 7D-2 -0.00336 -0.00606 0.00432 -0.00186 -0.00214 150 8D 0 0.00204 -0.00800 -0.00076 -0.00026 0.00050 151 8D+1 0.00448 -0.00221 0.00080 0.00153 0.00134 152 8D-1 0.00059 0.00172 0.00171 0.00126 0.00018 153 8D+2 0.00544 -0.00253 -0.00009 -0.00087 0.00023 154 8D-2 -0.00141 -0.00208 0.00239 -0.00103 -0.00116 155 8 C 1S 0.00026 0.00372 -0.00275 -0.00171 -0.00139 156 2S 0.00036 -0.00715 0.00682 0.00218 0.00041 157 3S 0.00089 -0.00514 0.01029 0.01706 0.02769 158 4PX 0.00669 -0.00087 -0.00513 0.00142 0.00237 159 4PY 0.00068 -0.00183 0.00518 0.00352 0.00399 160 4PZ 0.00898 -0.00495 -0.00389 -0.00104 0.00244 161 5PX -0.00017 0.00039 0.00736 -0.00164 -0.00660 162 5PY 0.00119 -0.00074 -0.00148 0.00946 0.00323 163 5PZ -0.00050 0.00066 0.00504 -0.00013 0.00195 164 9 O 1S 0.00160 -0.00283 0.00079 0.00037 0.00034 165 2S -0.00324 0.00608 -0.00190 -0.00149 -0.00005 166 3S -0.00421 0.00799 -0.00531 -0.00001 -0.00581 167 4PX 0.01216 -0.00364 0.00487 -0.00188 -0.00193 168 4PY 0.01336 -0.01397 -0.00357 -0.00302 -0.00199 169 4PZ 0.01308 -0.01155 0.00280 0.00069 -0.00077 170 5PX 0.00531 -0.00197 0.00073 -0.00114 0.00075 171 5PY 0.00469 -0.00474 -0.00243 -0.00235 -0.00296 172 5PZ 0.00603 -0.00566 0.00018 -0.00068 -0.00026 16 17 18 19 20 16 7D+2 0.74522 17 7D-2 0.00394 0.75305 18 8D 0 -0.00076 0.00054 0.08199 19 8D+1 -0.00089 0.00019 0.00043 0.08329 20 8D-1 0.00112 -0.00035 0.00025 0.00013 0.08300 21 8D+2 0.24667 0.00144 -0.00044 -0.00011 0.00013 22 8D-2 0.00153 0.24931 0.00007 0.00031 0.00015 23 2 Cu 1S 0.00017 -0.00086 0.00127 -0.00013 0.00007 24 2S 0.00154 -0.00214 0.01414 -0.00021 0.00198 25 3S -0.00516 0.00020 0.04545 -0.00733 0.03437 26 4PX 0.00095 0.00133 -0.00026 0.00374 -0.00023 27 4PY -0.00196 0.00087 -0.00280 -0.00044 0.00246 28 4PZ 0.00280 -0.00059 -0.00200 -0.00020 -0.00207 29 5PX 0.00589 -0.00573 0.00019 -0.01134 0.00079 30 5PY -0.00616 0.00867 0.01348 0.00177 -0.01050 31 5PZ -0.00281 -0.00182 0.02488 -0.00158 0.01130 32 6PX 0.01066 -0.00978 -0.00582 -0.00201 -0.00065 33 6PY -0.00359 0.02542 -0.00420 -0.00027 -0.01206 34 6PZ -0.00596 0.00961 -0.00150 -0.00585 -0.00631 35 7D 0 0.00816 -0.00556 -0.00350 0.00046 -0.00369 36 7D+1 0.00587 0.00932 -0.00243 0.00325 0.00069 37 7D-1 -0.01447 0.00453 -0.00499 -0.00004 0.00321 38 7D+2 -0.00551 0.00080 -0.00118 -0.00173 0.00029 39 7D-2 0.00313 -0.00664 -0.00032 0.00173 -0.00057 40 8D 0 0.00207 -0.00132 -0.00068 0.00042 -0.00028 41 8D+1 0.00193 0.00159 -0.00107 -0.00086 0.00058 42 8D-1 -0.00457 0.00208 -0.00097 0.00033 -0.00007 43 8D+2 -0.00122 0.00046 -0.00062 -0.00097 0.00081 44 8D-2 0.00148 -0.00111 0.00029 0.00018 -0.00040 45 3 Cu 1S 0.00243 -0.00081 -0.00040 0.00054 -0.00032 46 2S 0.03331 -0.00757 -0.00417 0.00743 -0.00034 47 3S 0.13455 0.05356 -0.02285 0.01850 0.00821 48 4PX -0.01063 -0.00522 0.00030 -0.00243 -0.00016 49 4PY -0.00642 0.00716 0.00006 -0.00098 0.00113 50 4PZ -0.00755 -0.00239 0.00254 0.00229 -0.00007 51 5PX 0.05759 0.00516 -0.00897 0.01645 0.00074 52 5PY 0.00562 -0.03837 -0.00389 0.00679 -0.00316 53 5PZ 0.03480 0.00372 -0.00719 -0.00585 0.00082 54 6PX -0.01337 -0.02403 -0.00527 -0.00135 0.00128 55 6PY -0.02720 -0.02964 0.00107 -0.00042 0.00284 56 6PZ -0.00282 -0.00088 0.00251 -0.00742 -0.00159 57 7D 0 -0.00640 0.00046 -0.00068 0.00010 0.00191 58 7D+1 -0.01159 -0.00757 0.00588 -0.00001 0.00085 59 7D-1 -0.00744 0.01277 0.00028 -0.00050 -0.00019 60 7D+2 -0.00911 -0.00981 -0.00082 -0.00307 -0.00066 61 7D-2 -0.01308 0.02368 -0.00240 -0.00009 0.00294 62 8D 0 -0.00122 0.00132 -0.00065 -0.00153 0.00069 63 8D+1 -0.00182 -0.00159 0.00105 -0.00091 0.00032 64 8D-1 -0.00164 0.00188 -0.00008 -0.00002 0.00020 65 8D+2 -0.00236 -0.00163 -0.00017 -0.00019 0.00012 66 8D-2 -0.00462 0.00435 -0.00077 0.00023 0.00039 67 4 Cu 1S -0.00098 -0.00014 -0.00034 -0.00033 -0.00034 68 2S -0.02841 0.01417 -0.00657 -0.00084 0.00276 69 3S -0.10988 0.05600 -0.02310 0.00210 0.00926 70 4PX 0.00557 0.00300 0.00084 0.00004 -0.00077 71 4PY 0.01206 -0.00832 0.00207 -0.00002 -0.00124 72 4PZ 0.00297 -0.00264 0.00055 0.00061 0.00219 73 5PX -0.02101 -0.03961 -0.00852 0.00064 0.00473 74 5PY -0.08609 0.05359 -0.01676 0.00334 0.00890 75 5PZ -0.00449 0.01119 0.00149 -0.00682 -0.01229 76 6PX 0.01647 -0.05210 -0.00923 0.00783 0.00719 77 6PY 0.02454 -0.00497 0.00622 -0.00330 -0.00298 78 6PZ 0.00151 0.02699 0.01114 -0.00219 -0.00825 79 7D 0 -0.00286 0.00067 -0.00129 0.00003 0.00164 80 7D+1 0.00413 0.00356 -0.00025 -0.00150 0.00078 81 7D-1 0.01281 -0.00710 0.00599 0.00281 0.00241 82 7D+2 0.00264 0.01558 -0.00095 0.00210 0.00163 83 7D-2 0.02334 0.00849 0.00020 0.00280 -0.00079 84 8D 0 -0.00057 0.00018 -0.00014 -0.00013 -0.00019 85 8D+1 -0.00055 0.00029 -0.00040 -0.00029 -0.00031 86 8D-1 0.00294 -0.00051 0.00133 0.00065 -0.00012 87 8D+2 0.00154 0.00204 -0.00008 0.00049 0.00033 88 8D-2 0.00418 0.00037 -0.00008 0.00080 0.00021 89 5 Cu 1S 0.00060 0.00101 0.00000 0.00010 -0.00081 90 2S 0.01165 0.00254 -0.00614 -0.00180 -0.00602 91 3S 0.01333 0.06948 0.00560 0.00293 -0.02833 92 4PX 0.00019 -0.00028 0.00007 0.00008 -0.00034 93 4PY 0.00096 -0.00034 0.00029 0.00008 0.00027 94 4PZ 0.00075 0.00051 -0.00046 0.00001 -0.00046 95 5PX 0.00381 -0.00287 -0.00072 0.00036 0.00044 96 5PY -0.00155 0.00855 0.00385 0.00040 -0.00630 97 5PZ -0.00056 0.01322 0.00196 -0.00110 -0.00369 98 6PX -0.00924 0.01787 0.00314 -0.00283 -0.00149 99 6PY -0.00889 0.01176 -0.00356 0.00480 -0.00157 100 6PZ 0.00801 0.01087 0.00647 -0.00021 0.00081 101 7D 0 0.00227 0.00118 0.00064 -0.00071 -0.00175 102 7D+1 0.00045 0.00120 0.00060 0.00062 0.00070 103 7D-1 0.00558 -0.00145 -0.00015 -0.00001 -0.00447 104 7D+2 -0.00122 0.00088 0.00016 -0.00047 0.00201 105 7D-2 -0.00001 0.00178 -0.00068 0.00268 0.00024 106 8D 0 0.00089 0.00154 0.00026 -0.00026 -0.00079 107 8D+1 0.00086 0.00055 0.00032 0.00038 0.00031 108 8D-1 0.00312 -0.00045 -0.00007 -0.00015 -0.00226 109 8D+2 -0.00058 -0.00016 -0.00015 -0.00011 0.00100 110 8D-2 -0.00039 0.00095 -0.00023 0.00113 0.00018 111 6 Cu 1S 0.00023 -0.00159 0.00008 -0.00032 -0.00062 112 2S -0.00227 -0.00776 -0.00035 -0.00181 -0.00512 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-0.00362 93 4PY -0.00049 0.00059 0.00092 -0.00046 0.00339 94 4PZ -0.00017 -0.00019 0.00016 -0.00051 0.00348 95 5PX -0.00101 -0.00027 -0.00183 0.00058 0.00348 96 5PY 0.00120 0.00405 -0.00279 -0.00074 0.00421 97 5PZ -0.00023 -0.00087 -0.00226 -0.00080 0.00199 98 6PX 0.00645 -0.00500 0.00000 -0.00131 -0.00078 99 6PY 0.00143 -0.00444 -0.00495 0.00083 0.00621 100 6PZ 0.00039 0.00446 0.00437 0.00108 0.00087 101 7D 0 0.00091 -0.00652 -0.00603 -0.00606 0.03808 102 7D+1 -0.00047 -0.00061 0.00103 0.00467 0.00058 103 7D-1 -0.00142 0.00789 -0.00662 0.00118 -0.01824 104 7D+2 0.00330 -0.01481 -0.00664 0.00006 0.06860 105 7D-2 -0.00953 -0.00274 -0.00132 0.03306 -0.00155 106 8D 0 0.00003 -0.00087 -0.00171 -0.00202 0.01297 107 8D+1 -0.00020 -0.00001 0.00030 0.00169 0.00039 108 8D-1 -0.00026 0.00161 -0.00301 0.00034 -0.00642 109 8D+2 0.00041 -0.00230 -0.00154 0.00020 0.02327 110 8D-2 -0.00376 -0.00042 -0.00048 0.01101 0.00012 111 6 Cu 1S 0.00112 0.00136 0.00011 0.00132 0.00097 112 2S 0.00921 0.01486 0.00414 -0.01365 -0.02279 113 3S 0.01227 0.00523 -0.00473 0.01092 0.01390 114 4PX 0.00110 -0.00101 0.00024 0.00135 0.00457 115 4PY 0.00077 0.00096 0.00129 0.00074 -0.00273 116 4PZ -0.00106 0.00003 0.00054 0.00525 0.00192 117 5PX 0.00037 0.00550 -0.00157 0.00594 -0.00030 118 5PY 0.00183 -0.00046 -0.00345 0.00370 0.00353 119 5PZ 0.00159 -0.00108 -0.00209 -0.00311 0.00258 120 6PX 0.00237 -0.00438 -0.00289 0.00703 0.00782 121 6PY -0.00425 0.00321 -0.00175 0.00474 0.00654 122 6PZ 0.00117 0.00234 0.00395 -0.00116 0.00171 123 7D 0 -0.00869 -0.00318 -0.00261 0.04046 0.02255 124 7D+1 0.00454 0.00350 -0.00580 -0.00967 -0.00236 125 7D-1 0.00413 0.00161 -0.00210 -0.00196 -0.01063 126 7D+2 -0.00147 0.00850 0.00061 -0.00668 -0.01513 127 7D-2 0.01308 0.00580 0.00512 -0.05355 -0.04118 128 8D 0 -0.00150 -0.00021 -0.00037 0.01352 0.00733 129 8D+1 0.00070 0.00074 -0.00250 -0.00329 -0.00080 130 8D-1 0.00085 0.00028 -0.00099 -0.00066 -0.00397 131 8D+2 -0.00156 0.00286 -0.00001 -0.00274 -0.00507 132 8D-2 0.00247 0.00076 0.00104 -0.01796 -0.01401 133 7 Cu 1S -0.00051 -0.00035 0.00031 -0.00004 -0.00011 134 2S 0.00853 -0.00036 0.00108 -0.01860 0.00341 135 3S -0.00546 -0.00194 0.00122 -0.01071 -0.00355 136 4PX -0.00048 -0.00035 0.00028 -0.00203 -0.00152 137 4PY -0.00061 0.00051 0.00085 0.00050 -0.00073 138 4PZ 0.00054 0.00091 0.00055 -0.00036 -0.00182 139 5PX -0.00116 -0.00006 -0.00022 0.00355 0.00105 140 5PY -0.00017 -0.00189 -0.00160 0.00003 0.00660 141 5PZ 0.00033 -0.00158 -0.00202 -0.00011 0.00359 142 6PX -0.00308 -0.00005 0.00004 -0.00529 -0.00448 143 6PY -0.00005 -0.00206 0.00081 -0.00019 -0.00259 144 6PZ -0.00004 0.00117 -0.00148 -0.00007 -0.00063 145 7D 0 -0.00028 -0.00211 -0.00167 -0.00569 0.00105 146 7D+1 -0.00101 0.00100 0.00158 -0.00995 -0.01440 147 7D-1 -0.00194 0.00035 -0.00021 0.00095 -0.00255 148 7D+2 0.00067 -0.00091 -0.00157 0.00728 0.00984 149 7D-2 0.00093 0.00179 0.00082 0.00981 0.00384 150 8D 0 -0.00012 -0.00065 -0.00067 -0.00205 0.00025 151 8D+1 -0.00020 0.00066 0.00045 -0.00346 -0.00516 152 8D-1 -0.00044 0.00007 -0.00003 -0.00009 -0.00097 153 8D+2 0.00027 -0.00045 -0.00045 0.00266 0.00331 154 8D-2 0.00021 0.00060 0.00060 0.00338 0.00165 155 8 C 1S 0.00076 0.00034 -0.00026 -0.00118 0.00006 156 2S -0.00226 -0.00089 0.00086 0.00221 -0.00196 157 3S -0.00001 0.00020 -0.00093 0.00515 -0.00212 158 4PX -0.00114 0.00016 -0.00032 0.00435 0.00280 159 4PY -0.00205 -0.00160 -0.00072 0.00304 -0.00264 160 4PZ 0.00104 -0.00254 -0.00226 -0.00170 0.00666 161 5PX -0.00110 -0.00223 0.00248 0.00197 0.00089 162 5PY 0.00033 -0.00030 -0.00101 0.00177 0.00394 163 5PZ -0.00034 -0.00052 -0.00099 -0.00125 0.00139 164 9 O 1S -0.00012 -0.00008 0.00016 0.00009 0.00196 165 2S 0.00043 0.00018 -0.00041 -0.00041 -0.00382 166 3S 0.00009 0.00037 -0.00081 0.00009 -0.00332 167 4PX 0.00146 0.00020 0.00001 -0.00478 -0.00308 168 4PY 0.00124 0.00144 0.00056 -0.00192 0.00143 169 4PZ -0.00045 0.00299 0.00242 0.00175 -0.01114 170 5PX 0.00100 0.00098 -0.00092 -0.00313 -0.00175 171 5PY 0.00031 0.00050 0.00049 -0.00095 -0.00130 172 5PZ -0.00011 0.00177 0.00147 0.00113 -0.00555 31 32 33 34 35 31 5PZ 0.03235 32 6PX -0.00157 0.01048 33 6PY 0.00231 0.00106 0.01952 34 6PZ 0.00312 0.00130 0.00997 0.01902 35 7D 0 -0.04616 -0.02117 -0.05669 -0.07617 0.75127 36 7D+1 0.02559 -0.02175 -0.00206 0.01432 -0.00111 37 7D-1 0.00475 0.00560 -0.00478 -0.00908 0.00205 38 7D+2 0.00106 0.03546 -0.05584 -0.01449 0.00325 39 7D-2 0.00102 0.02434 0.01677 0.00069 -0.00048 40 8D 0 -0.01504 -0.00700 -0.01903 -0.02537 0.24606 41 8D+1 0.00803 -0.00715 -0.00089 0.00516 -0.00066 42 8D-1 0.00113 0.00173 -0.00153 -0.00309 0.00126 43 8D+2 0.00032 0.01168 -0.01859 -0.00494 0.00160 44 8D-2 0.00083 0.00811 0.00611 0.00018 -0.00142 45 3 Cu 1S -0.00143 0.00039 -0.00066 0.00007 -0.00159 46 2S 0.02013 0.00549 0.00456 -0.00658 -0.01891 47 3S -0.01335 0.01448 -0.00313 -0.00121 -0.03192 48 4PX -0.00515 0.00054 0.00370 0.00283 -0.00188 49 4PY 0.00153 -0.00094 0.00332 0.00196 0.00240 50 4PZ -0.00217 0.00424 0.00046 0.00533 -0.00507 51 5PX 0.00045 0.00976 -0.00100 -0.00531 -0.01048 52 5PY 0.00336 -0.00087 0.00323 0.00101 -0.01071 53 5PZ 0.00317 -0.00243 0.00229 0.00291 0.00541 54 6PX -0.00652 0.00257 -0.00095 0.00565 -0.00828 55 6PY 0.00166 0.00283 -0.00307 0.00032 0.00807 56 6PZ 0.00638 -0.00116 0.00407 0.00364 -0.01612 57 7D 0 0.00325 -0.00451 0.01430 0.00699 0.01746 58 7D+1 -0.04040 0.00119 0.01923 -0.00592 -0.01251 59 7D-1 0.00890 0.00151 -0.00208 -0.01006 0.00406 60 7D+2 0.02579 -0.01966 -0.00292 -0.01346 -0.01181 61 7D-2 0.00120 -0.00750 -0.01640 0.00184 0.00604 62 8D 0 0.00102 -0.00168 0.00463 0.00257 0.00350 63 8D+1 -0.01365 0.00035 0.00637 -0.00198 -0.00286 64 8D-1 0.00324 0.00099 -0.00079 -0.00341 0.00207 65 8D+2 0.00842 -0.00680 -0.00112 -0.00481 -0.00249 66 8D-2 0.00027 -0.00277 -0.00508 0.00083 0.00152 67 4 Cu 1S -0.00238 0.00037 0.00070 0.00087 0.00003 68 2S 0.00342 0.00319 0.00582 -0.00503 0.01247 69 3S -0.01498 0.00570 0.01344 0.00006 0.03650 70 4PX -0.00113 0.00343 -0.00225 0.00177 -0.00096 71 4PY -0.00706 0.00009 0.00293 0.00708 -0.00511 72 4PZ 0.00051 -0.00016 0.00642 0.00288 0.00093 73 5PX 0.00398 0.00304 -0.00211 0.00327 -0.00553 74 5PY 0.00204 0.00410 0.01391 -0.00142 0.02285 75 5PZ 0.00911 -0.00364 -0.00129 0.01197 -0.03707 76 6PX 0.00220 0.00150 -0.00255 -0.00145 -0.00494 77 6PY 0.00017 -0.00126 -0.00823 -0.01118 0.01741 78 6PZ 0.00008 -0.00092 -0.00535 -0.00453 0.01808 79 7D 0 0.00987 -0.00552 0.01570 0.00781 0.01579 80 7D+1 -0.01427 0.01526 0.00462 0.00108 0.00241 81 7D-1 -0.02774 -0.00092 -0.00276 0.00179 -0.00272 82 7D+2 -0.00594 0.01347 0.00392 0.01312 0.00991 83 7D-2 0.01629 -0.01492 -0.00271 -0.00305 -0.01235 84 8D 0 0.00381 -0.00186 0.00552 0.00280 0.00302 85 8D+1 -0.00453 0.00533 0.00160 -0.00004 0.00088 86 8D-1 -0.00961 -0.00014 -0.00052 0.00110 -0.00133 87 8D+2 -0.00177 0.00457 0.00151 0.00490 0.00181 88 8D-2 0.00542 -0.00520 -0.00097 -0.00067 -0.00265 89 5 Cu 1S -0.00070 -0.00090 0.00101 0.00068 0.00089 90 2S -0.02214 0.00458 0.00915 -0.01045 0.00199 91 3S -0.01080 -0.00521 0.01751 -0.00444 -0.03401 92 4PX -0.00322 0.00632 0.00191 0.00070 0.00064 93 4PY -0.00177 0.00313 0.00612 -0.00007 0.00791 94 4PZ -0.00382 -0.00129 -0.00104 0.00119 0.00454 95 5PX 0.00238 0.00364 -0.00237 0.00158 -0.00411 96 5PY 0.00290 -0.00085 0.00878 0.00101 -0.02748 97 5PZ 0.00149 -0.00161 0.00532 0.00265 -0.02378 98 6PX 0.00001 -0.00167 0.00237 0.00014 0.00267 99 6PY -0.00026 -0.00019 0.00324 0.00167 -0.00700 100 6PZ -0.00052 -0.00011 -0.00616 -0.00709 0.02415 101 7D 0 0.00837 0.00108 -0.01128 -0.00947 -0.00818 102 7D+1 0.00772 0.01393 0.00383 0.01918 -0.00170 103 7D-1 0.03887 0.00049 0.01619 0.03130 0.01189 104 7D+2 0.02953 0.01938 0.00379 -0.00802 -0.00648 105 7D-2 0.00561 0.00298 -0.01427 -0.00299 -0.00281 106 8D 0 0.00282 0.00037 -0.00375 -0.00308 -0.00251 107 8D+1 0.00262 0.00468 0.00102 0.00645 -0.00008 108 8D-1 0.01292 0.00001 0.00599 0.01080 0.00056 109 8D+2 0.00999 0.00654 0.00110 -0.00285 -0.00264 110 8D-2 0.00223 0.00102 -0.00529 -0.00109 -0.00123 111 6 Cu 1S 0.00029 0.00046 0.00022 0.00125 0.00080 112 2S -0.01330 0.00502 -0.00007 -0.00826 -0.00299 113 3S 0.00249 0.01696 0.00561 0.00874 -0.05563 114 4PX 0.00237 0.00055 -0.00277 -0.00405 0.00622 115 4PY -0.00190 -0.00404 0.00546 -0.00078 0.00720 116 4PZ -0.00143 0.00155 0.00176 0.00418 0.00362 117 5PX -0.00144 0.01001 0.00596 0.00181 -0.02608 118 5PY 0.00495 0.00246 0.00290 0.00252 -0.02248 119 5PZ 0.00246 0.00174 0.00117 0.00292 -0.02664 120 6PX -0.00071 0.00310 -0.00274 0.00191 0.00212 121 6PY 0.00077 0.00236 0.00355 0.00509 -0.01829 122 6PZ 0.00291 -0.00285 -0.00025 -0.00307 0.01012 123 7D 0 -0.00752 0.02055 -0.00807 0.00662 -0.01139 124 7D+1 0.01509 0.00357 0.00849 -0.01093 0.00834 125 7D-1 0.01111 0.00077 0.01353 0.00004 0.00844 126 7D+2 0.00174 -0.00600 0.01452 0.01576 -0.00016 127 7D-2 -0.01110 -0.00136 -0.01082 0.01606 0.00679 128 8D 0 -0.00270 0.00712 -0.00272 0.00210 -0.00395 129 8D+1 0.00493 0.00147 0.00315 -0.00317 -0.00003 130 8D-1 0.00328 0.00068 0.00454 0.00019 0.00109 131 8D+2 0.00032 -0.00196 0.00507 0.00521 -0.00024 132 8D-2 -0.00370 -0.00049 -0.00374 0.00528 0.00227 133 7 Cu 1S 0.00001 0.00030 -0.00111 0.00068 0.00101 134 2S -0.00553 -0.00819 -0.01045 0.00203 0.01001 135 3S 0.00271 -0.00816 -0.01640 0.00298 0.01408 136 4PX 0.00180 -0.00001 -0.00274 0.00135 0.00009 137 4PY -0.00139 -0.00044 0.00050 0.00247 0.00141 138 4PZ -0.00144 -0.00050 0.00201 -0.00046 0.00031 139 5PX -0.00130 0.00192 -0.00344 0.00091 0.00084 140 5PY 0.00283 0.00033 -0.00152 0.00123 -0.00631 141 5PZ 0.00696 -0.00008 0.00291 0.00019 -0.00470 142 6PX 0.00454 -0.00347 -0.00034 -0.00302 0.00128 143 6PY -0.00013 -0.00157 -0.00026 0.00107 0.00836 144 6PZ -0.00205 0.00149 -0.00107 -0.00135 0.00102 145 7D 0 0.01144 -0.00689 -0.02175 -0.01266 -0.00013 146 7D+1 0.00457 -0.01653 -0.00891 -0.00534 -0.00258 147 7D-1 0.00486 -0.01445 0.00306 -0.01203 -0.00498 148 7D+2 -0.00141 0.01189 -0.00505 -0.00891 -0.00295 149 7D-2 -0.01364 0.01294 -0.00963 -0.00902 -0.00062 150 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-0.00341 172 5PZ -0.00141 -0.00232 -0.00056 -0.00386 -0.00257 146 147 148 149 150 146 7D+1 0.75341 147 7D-1 -0.00334 0.75227 148 7D+2 0.00071 -0.00363 0.74088 149 7D-2 0.00105 0.00253 0.00150 0.75287 150 8D 0 0.00082 0.00053 0.00069 -0.00002 0.08184 151 8D+1 0.24996 -0.00063 -0.00029 -0.00011 0.00017 152 8D-1 -0.00027 0.24997 -0.00076 0.00002 0.00008 153 8D+2 -0.00052 -0.00092 0.24606 0.00060 0.00018 154 8D-2 -0.00019 0.00041 0.00056 0.24981 -0.00033 155 8 C 1S 0.00294 0.00120 0.00384 -0.00273 -0.00071 156 2S -0.00742 0.00024 -0.01015 0.00558 0.00207 157 3S -0.01806 -0.01615 -0.01070 0.02990 0.00262 158 4PX -0.00103 -0.00144 -0.00996 -0.00008 0.00208 159 4PY -0.00770 -0.00222 -0.01056 0.00618 0.00274 160 4PZ 0.00125 0.00036 0.00501 -0.00168 0.00006 161 5PX -0.00597 0.01151 -0.00270 0.00604 0.00105 162 5PY -0.00696 -0.00305 0.01147 -0.00167 -0.00392 163 5PZ -0.00638 0.00119 -0.01091 -0.00648 0.00110 164 9 O 1S -0.00055 -0.00043 -0.00120 0.00040 0.00017 165 2S 0.00187 0.00073 0.00201 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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 -0.00032 -0.00037 0.00000 0.00000 24 2S -0.00037 0.03938 0.01780 -0.00002 -0.00010 25 3S -0.00049 -0.02589 -0.09286 0.00003 -0.00018 26 4PX 0.00000 -0.00001 -0.00002 0.00000 0.00000 27 4PY 0.00000 -0.00013 -0.00001 0.00000 0.00000 28 4PZ 0.00000 -0.00142 -0.00062 0.00000 0.00000 29 5PX 0.00002 0.00104 0.00099 -0.00008 -0.00001 30 5PY 0.00004 0.00573 0.00176 -0.00002 -0.00014 31 5PZ -0.00028 0.03622 0.00240 -0.00004 -0.00022 32 6PX -0.00002 0.00039 -0.00055 0.00023 0.00000 33 6PY -0.00006 0.00189 -0.00121 0.00000 0.00006 34 6PZ -0.00026 -0.01018 -0.02420 0.00000 0.00001 35 7D 0 0.00000 0.00022 0.00052 0.00000 0.00000 36 7D+1 0.00000 0.00008 0.00004 0.00000 0.00000 37 7D-1 0.00000 0.00029 0.00029 0.00000 0.00000 38 7D+2 0.00000 0.00001 0.00001 0.00000 0.00000 39 7D-2 0.00000 0.00001 0.00001 0.00000 0.00000 40 8D 0 0.00001 0.00076 0.00253 -0.00001 -0.00007 41 8D+1 0.00001 0.00027 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0.00000 62 8D 0 0.00000 0.00007 0.00032 0.00001 0.00000 63 8D+1 0.00003 0.00136 0.00172 -0.00008 -0.00001 64 8D-1 0.00000 0.00016 0.00015 -0.00001 -0.00001 65 8D+2 0.00000 0.00013 0.00151 -0.00001 -0.00002 66 8D-2 0.00001 0.00052 0.00053 -0.00002 -0.00004 67 4 Cu 1S 0.00000 -0.00013 -0.00081 0.00000 0.00000 68 2S -0.00018 0.02711 0.03002 -0.00004 -0.00036 69 3S -0.00072 -0.01548 -0.08908 -0.00011 -0.00158 70 4PX 0.00000 -0.00010 -0.00008 0.00000 0.00000 71 4PY 0.00000 -0.00128 -0.00051 0.00000 0.00000 72 4PZ 0.00000 -0.00004 -0.00006 0.00000 0.00000 73 5PX -0.00004 0.00400 0.00029 -0.00010 -0.00005 74 5PY -0.00034 0.04588 -0.01177 -0.00022 0.00018 75 5PZ -0.00003 0.00197 0.00087 -0.00002 -0.00003 76 6PX 0.00002 -0.00102 -0.00211 -0.00006 0.00001 77 6PY 0.00008 -0.00764 -0.01725 0.00001 0.00000 78 6PZ 0.00002 -0.00076 -0.00144 0.00000 0.00003 79 7D 0 0.00000 0.00000 0.00003 0.00000 0.00000 80 7D+1 0.00000 0.00003 0.00003 0.00000 0.00000 81 7D-1 0.00000 0.00009 0.00011 0.00000 0.00000 82 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0.00000 103 7D-1 0.00000 -0.00001 -0.00032 0.00000 0.00000 104 7D+2 0.00000 -0.00001 0.00001 0.00000 0.00000 105 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 106 8D 0 0.00000 0.00000 -0.00010 0.00000 0.00000 107 8D+1 0.00000 0.00000 0.00001 0.00000 0.00000 108 8D-1 0.00000 -0.00017 -0.00181 0.00000 0.00000 109 8D+2 0.00000 -0.00010 0.00002 0.00000 0.00000 110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 111 6 Cu 1S 0.00000 0.00000 -0.00008 0.00000 0.00000 112 2S 0.00000 -0.00477 -0.00471 0.00000 0.00000 113 3S 0.00001 -0.00662 0.00880 0.00005 0.00002 114 4PX 0.00000 0.00000 0.00002 0.00000 0.00000 115 4PY 0.00000 0.00000 0.00009 0.00000 0.00000 116 4PZ 0.00000 0.00000 0.00001 0.00000 0.00000 117 5PX 0.00000 0.00053 0.00208 0.00001 0.00000 118 5PY 0.00000 0.00135 0.00023 0.00000 0.00001 119 5PZ 0.00000 0.00054 0.00357 0.00000 0.00000 120 6PX 0.00005 0.00340 0.00719 0.00000 0.00000 121 6PY -0.00008 0.00157 -0.00075 -0.00001 0.00000 122 6PZ 0.00011 0.00564 0.01313 0.00003 0.00001 123 7D 0 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0.00000 0.00000 0.00000 -0.00040 156 157 158 159 160 156 2S 0.50980 157 3S 0.32519 0.45620 158 4PX 0.00000 0.00000 0.35852 159 4PY 0.00000 0.00000 0.00000 0.62873 160 4PZ 0.00000 0.00000 0.00000 0.00000 0.41208 161 5PX 0.00000 0.00000 0.03481 0.00000 0.00000 162 5PY 0.00000 0.00000 0.00000 0.00613 0.00000 163 5PZ 0.00000 0.00000 0.00000 0.00000 0.02956 164 9 O 1S -0.00034 0.00250 -0.00008 -0.00415 -0.00083 165 2S 0.00243 -0.03136 0.00102 0.05354 0.01056 166 3S -0.03787 -0.06606 -0.00026 -0.00637 -0.00191 167 4PX 0.00124 0.00056 0.06858 0.00611 0.00148 168 4PY 0.06284 -0.00070 0.00614 0.09042 0.06519 169 4PZ 0.01255 0.00229 0.00148 0.06508 0.02447 170 5PX 0.00046 0.00075 0.06188 0.00169 0.00055 171 5PY 0.01905 -0.00371 0.00159 0.00272 0.01805 172 5PZ 0.00418 0.00275 0.00054 0.01852 0.03671 161 162 163 164 165 161 5PX 0.01832 162 5PY 0.00000 0.02596 163 5PZ 0.00000 0.00000 0.02106 164 9 O 1S 0.00000 0.00046 0.00005 2.11849 165 2S 0.00005 -0.00085 0.00018 -0.07062 0.60316 166 3S 0.00025 0.01058 0.00234 -0.04563 0.41469 167 4PX 0.01138 -0.00020 0.00003 0.00000 0.00000 168 4PY -0.00013 0.00215 -0.00050 0.00000 0.00000 169 4PZ 0.00003 -0.00082 0.00997 0.00000 0.00000 170 5PX 0.01169 -0.00016 0.00007 0.00000 0.00000 171 5PY -0.00008 0.00210 0.00020 0.00000 0.00000 172 5PZ 0.00008 -0.00013 0.00951 0.00000 0.00000 166 167 168 169 170 166 3S 0.54072 167 4PX 0.00000 0.83962 168 4PY 0.00000 0.00000 0.85289 169 4PZ 0.00000 0.00000 0.00000 0.84483 170 5PX 0.00000 0.16770 0.00000 0.00000 0.13416 171 5PY 0.00000 0.00000 0.09800 0.00000 0.00000 172 5PZ 0.00000 0.00000 0.00000 0.15560 0.00000 171 172 171 5PY 0.05913 172 5PZ 0.00000 0.12055 Gross orbital populations: TOTAL ALPHA BETA SPIN 1 1 Cu 1S 2.00551 1.00275 1.00276 -0.00001 2 2S 0.71311 0.37370 0.33941 0.03429 3 3S 0.33976 0.17749 0.16227 0.01521 4 4PX 1.99472 0.99735 0.99736 -0.00001 5 4PY 1.99442 0.99722 0.99720 0.00003 6 4PZ 1.99471 0.99735 0.99735 0.00000 7 5PX 0.06127 0.03266 0.02861 0.00405 8 5PY 0.05150 0.02926 0.02224 0.00702 9 5PZ 0.06810 0.03931 0.02879 0.01051 10 6PX 0.01003 0.00443 0.00560 -0.00117 11 6PY -0.00937 -0.00828 -0.00109 -0.00719 12 6PZ 0.00436 -0.00011 0.00446 -0.00457 13 7D 0 1.63547 0.81811 0.81736 0.00075 14 7D+1 1.65240 0.82710 0.82530 0.00179 15 7D-1 1.65760 0.82862 0.82898 -0.00036 16 7D+2 1.64117 0.82049 0.82067 -0.00018 17 7D-2 1.65626 0.82792 0.82834 -0.00042 18 8D 0 0.32589 0.16315 0.16275 0.00040 19 8D+1 0.32539 0.16273 0.16266 0.00008 20 8D-1 0.32325 0.16188 0.16137 0.00051 21 8D+2 0.32425 0.16234 0.16191 0.00043 22 8D-2 0.32286 0.16165 0.16121 0.00044 23 2 Cu 1S 2.00465 1.00233 1.00233 0.00000 24 2S 0.62711 0.32926 0.29784 0.03142 25 3S 0.02588 0.02350 0.00238 0.02112 26 4PX 1.99485 0.99752 0.99734 0.00018 27 4PY 1.99488 0.99745 0.99743 0.00002 28 4PZ 1.99491 0.99749 0.99741 0.00008 29 5PX 0.13046 0.08753 0.04294 0.04459 30 5PY 0.15768 0.08710 0.07058 0.01652 31 5PZ 0.16044 0.09610 0.06435 0.03175 32 6PX 0.00877 0.00241 0.00636 -0.00396 33 6PY 0.02435 0.01881 0.00554 0.01327 34 6PZ -0.00061 -0.00195 0.00133 -0.00328 35 7D 0 1.65231 0.82640 0.82590 0.00050 36 7D+1 1.64921 0.82358 0.82563 -0.00205 37 7D-1 1.62950 0.81513 0.81437 0.00075 38 7D+2 1.65053 0.82830 0.82224 0.00606 39 7D-2 1.64822 0.82311 0.82511 -0.00200 40 8D 0 0.31802 0.15934 0.15867 0.00067 41 8D+1 0.31975 0.16035 0.15940 0.00096 42 8D-1 0.32109 0.16085 0.16024 0.00061 43 8D+2 0.31748 0.15847 0.15901 -0.00054 44 8D-2 0.32037 0.16064 0.15973 0.00091 45 3 Cu 1S 2.00466 1.00233 1.00233 0.00000 46 2S 0.62705 0.32998 0.29706 0.03292 47 3S 0.02672 0.02419 0.00252 0.02167 48 4PX 1.99487 0.99743 0.99744 -0.00001 49 4PY 1.99466 0.99733 0.99732 0.00001 50 4PZ 1.99510 0.99769 0.99741 0.00028 51 5PX 0.16394 0.08530 0.07864 0.00667 52 5PY 0.12841 0.06969 0.05872 0.01097 53 5PZ 0.15517 0.11534 0.03983 0.07551 54 6PX 0.00423 0.00120 0.00303 -0.00183 55 6PY 0.01977 0.01576 0.00401 0.01176 56 6PZ 0.00778 0.00203 0.00576 -0.00373 57 7D 0 1.65546 0.82985 0.82562 0.00423 58 7D+1 1.64194 0.82071 0.82123 -0.00051 59 7D-1 1.64825 0.82424 0.82401 0.00023 60 7D+2 1.65315 0.82619 0.82696 -0.00077 61 7D-2 1.63105 0.81553 0.81551 0.00002 62 8D 0 0.31748 0.15866 0.15882 -0.00016 63 8D+1 0.32011 0.16047 0.15963 0.00084 64 8D-1 0.31948 0.16016 0.15932 0.00083 65 8D+2 0.31838 0.15953 0.15885 0.00068 66 8D-2 0.32125 0.16088 0.16036 0.00052 67 4 Cu 1S 1.99779 0.99887 0.99892 -0.00004 68 2S 0.58645 0.32071 0.26574 0.05497 69 3S -0.28800 -0.14136 -0.14664 0.00528 70 4PX 1.99534 0.99768 0.99766 0.00003 71 4PY 1.99546 0.99773 0.99773 0.00000 72 4PZ 1.99546 0.99773 0.99773 0.00000 73 5PX 0.27576 0.14123 0.13453 0.00669 74 5PY 0.31622 0.15982 0.15640 0.00342 75 5PZ 0.28125 0.14086 0.14039 0.00048 76 6PX -0.05109 -0.02373 -0.02736 0.00362 77 6PY 0.01234 -0.00014 0.01249 -0.01263 78 6PZ -0.01892 -0.00634 -0.01258 0.00623 79 7D 0 1.63138 0.81682 0.81456 0.00226 80 7D+1 1.65399 0.83228 0.82171 0.01057 81 7D-1 1.62859 0.82280 0.80579 0.01700 82 7D+2 1.62748 0.81210 0.81538 -0.00328 83 7D-2 1.63663 0.82172 0.81491 0.00680 84 8D 0 0.30846 0.15415 0.15430 -0.00015 85 8D+1 0.30383 0.15083 0.15301 -0.00218 86 8D-1 0.30405 0.14986 0.15418 -0.00432 87 8D+2 0.30866 0.15465 0.15400 0.00065 88 8D-2 0.30775 0.15306 0.15469 -0.00163 89 5 Cu 1S 2.00551 1.00275 1.00276 -0.00001 90 2S 0.70302 0.36624 0.33678 0.02946 91 3S 0.34393 0.17692 0.16701 0.00990 92 4PX 1.99471 0.99735 0.99736 -0.00001 93 4PY 1.99468 0.99735 0.99734 0.00001 94 4PZ 1.99444 0.99726 0.99718 0.00007 95 5PX 0.06489 0.03563 0.02927 0.00636 96 5PY 0.07493 0.04483 0.03010 0.01473 97 5PZ 0.06463 0.04032 0.02431 0.01601 98 6PX 0.01332 0.00647 0.00685 -0.00038 99 6PY 0.00603 0.00624 -0.00020 0.00644 100 6PZ -0.00128 0.00077 -0.00205 0.00281 101 7D 0 1.64178 0.82177 0.82001 0.00176 102 7D+1 1.65637 0.82847 0.82791 0.00056 103 7D-1 1.65547 0.82776 0.82771 0.00006 104 7D+2 1.63781 0.81866 0.81915 -0.00050 105 7D-2 1.65213 0.82707 0.82506 0.00201 106 8D 0 0.32383 0.16196 0.16188 0.00008 107 8D+1 0.32280 0.16152 0.16128 0.00024 108 8D-1 0.32351 0.16196 0.16155 0.00041 109 8D+2 0.32593 0.16327 0.16265 0.00062 110 8D-2 0.32535 0.16268 0.16267 0.00002 111 6 Cu 1S 2.00470 1.00235 1.00235 0.00000 112 2S 0.63229 0.34845 0.28385 0.06460 113 3S 0.02738 0.03125 -0.00387 0.03511 114 4PX 1.99485 0.99741 0.99744 -0.00002 115 4PY 1.99505 0.99765 0.99740 0.00025 116 4PZ 1.99458 0.99730 0.99728 0.00002 117 5PX 0.15799 0.08264 0.07534 0.00730 118 5PY 0.14835 0.10866 0.03969 0.06897 119 5PZ 0.12441 0.07299 0.05142 0.02157 120 6PX 0.01817 0.01136 0.00681 0.00455 121 6PY 0.01612 0.01302 0.00309 0.00993 122 6PZ 0.01196 0.01268 -0.00072 0.01341 123 7D 0 1.65228 0.82670 0.82559 0.00111 124 7D+1 1.63627 0.81819 0.81808 0.00012 125 7D-1 1.64816 0.82423 0.82393 0.00030 126 7D+2 1.65374 0.82686 0.82689 -0.00003 127 7D-2 1.63933 0.81943 0.81990 -0.00047 128 8D 0 0.31732 0.15909 0.15822 0.00087 129 8D+1 0.32062 0.16077 0.15985 0.00091 130 8D-1 0.31936 0.16030 0.15906 0.00123 131 8D+2 0.31899 0.15998 0.15901 0.00097 132 8D-2 0.32075 0.16094 0.15981 0.00113 133 7 Cu 1S 2.00551 1.00275 1.00276 -0.00001 134 2S 0.70244 0.36597 0.33647 0.02950 135 3S 0.34374 0.17675 0.16699 0.00976 136 4PX 1.99423 0.99713 0.99709 0.00004 137 4PY 1.99479 0.99741 0.99739 0.00002 138 4PZ 1.99481 0.99742 0.99739 0.00002 139 5PX 0.06495 0.03500 0.02994 0.00506 140 5PY 0.06961 0.04237 0.02724 0.01513 141 5PZ 0.07103 0.04440 0.02663 0.01776 142 6PX 0.01964 0.01035 0.00929 0.00105 143 6PY -0.00056 0.00250 -0.00306 0.00556 144 6PZ -0.00116 0.00032 -0.00148 0.00180 145 7D 0 1.63810 0.81937 0.81873 0.00063 146 7D+1 1.65675 0.82790 0.82884 -0.00094 147 7D-1 1.65804 0.83042 0.82761 0.00281 148 7D+2 1.63507 0.81870 0.81637 0.00233 149 7D-2 1.65566 0.82737 0.82829 -0.00091 150 8D 0 0.32503 0.16274 0.16229 0.00045 151 8D+1 0.32357 0.16208 0.16150 0.00058 152 8D-1 0.32414 0.16203 0.16212 -0.00009 153 8D+2 0.32508 0.16251 0.16257 -0.00006 154 8D-2 0.32355 0.16203 0.16152 0.00051 155 8 C 1S 1.99855 0.99929 0.99926 0.00003 156 2S 0.88504 0.45076 0.43427 0.01649 157 3S 0.68943 0.34933 0.34010 0.00924 158 4PX 0.55953 0.28550 0.27403 0.01147 159 4PY 0.88611 0.46043 0.42568 0.03475 160 4PZ 0.62793 0.31656 0.31138 0.00518 161 5PX 0.09993 0.05327 0.04666 0.00661 162 5PY 0.04766 0.02326 0.02440 -0.00114 163 5PZ 0.09625 0.05353 0.04272 0.01082 164 9 O 1S 1.99922 0.99961 0.99961 0.00000 165 2S 0.98930 0.49524 0.49405 0.00119 166 3S 0.83900 0.41887 0.42014 -0.00127 167 4PX 1.09584 0.55047 0.54537 0.00510 168 4PY 1.16644 0.59020 0.57624 0.01396 169 4PZ 1.11194 0.55827 0.55367 0.00460 170 5PX 0.37389 0.18660 0.18729 -0.00070 171 5PY 0.19353 0.09502 0.09851 -0.00348 172 5PZ 0.33967 0.17011 0.16956 0.00055 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.019583 -0.031990 -0.032573 -0.056585 0.061083 0.062436 2 Cu -0.031990 19.070754 -0.021277 -0.131641 0.001971 -0.020613 3 Cu -0.032573 -0.021277 19.071731 -0.131679 0.076514 -0.020796 4 Cu -0.056585 -0.131641 -0.131679 19.249305 -0.086246 -0.122244 5 Cu 0.061083 0.001971 0.076514 -0.086246 19.014498 -0.020286 6 Cu 0.062436 -0.020613 -0.020796 -0.122244 -0.020286 19.092850 7 Cu 0.060924 0.076600 0.001092 -0.085655 0.068702 -0.019746 8 C 0.010548 0.006949 0.006949 0.131641 0.020383 0.004525 9 O -0.000804 -0.000919 -0.001043 0.041983 -0.012809 -0.003463 7 8 9 1 Cu 0.060924 0.010548 -0.000804 2 Cu 0.076600 0.006949 -0.000919 3 Cu 0.001092 0.006949 -0.001043 4 Cu -0.085655 0.131641 0.041983 5 Cu 0.068702 0.020383 -0.012809 6 Cu -0.019746 0.004525 -0.003463 7 Cu 19.013681 0.021537 -0.013118 8 C 0.021537 5.141935 0.545963 9 O -0.013118 0.545963 7.553032 Mulliken atomic charges: 1 1 Cu -0.092625 2 Cu 0.050166 3 Cu 0.051082 4 Cu 0.191120 5 Cu -0.123809 6 Cu 0.047336 7 Cu -0.124017 8 C 0.109570 9 O -0.108823 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.092625 2 Cu 0.050166 3 Cu 0.051082 4 Cu 0.191120 5 Cu -0.123809 6 Cu 0.047336 7 Cu -0.124017 8 C 0.109570 9 O -0.108823 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.085149 -0.025712 -0.025668 0.027615 0.006116 -0.007442 2 Cu -0.025712 0.113108 0.047551 -0.026681 -0.007699 0.056814 3 Cu -0.025668 0.047551 0.115461 -0.026824 0.000762 0.057554 4 Cu 0.027615 -0.026681 -0.026824 0.128684 0.014134 -0.026110 5 Cu 0.006116 -0.007699 0.000762 0.014134 0.084610 -0.013520 6 Cu -0.007442 0.056814 0.057554 -0.026110 -0.013520 0.179799 7 Cu 0.006130 0.000815 -0.008053 0.014386 0.011671 -0.013466 8 C -0.004464 -0.000583 -0.000616 -0.011286 -0.005132 -0.001882 9 O -0.000122 -0.000029 -0.000027 -0.000135 -0.000280 0.000087 7 8 9 1 Cu 0.006130 -0.004464 -0.000122 2 Cu 0.000815 -0.000583 -0.000029 3 Cu -0.008053 -0.000616 -0.000027 4 Cu 0.014386 -0.011286 -0.000135 5 Cu 0.011671 -0.005132 -0.000280 6 Cu -0.013466 -0.001882 0.000087 7 Cu 0.084537 -0.004609 -0.000411 8 C -0.004609 0.149118 -0.027099 9 O -0.000411 -0.027099 0.047965 Mulliken atomic spin densities: 1 1 Cu 0.061601 2 Cu 0.157585 3 Cu 0.160139 4 Cu 0.093784 5 Cu 0.090662 6 Cu 0.231833 7 Cu 0.090999 8 C 0.093449 9 O 0.019949 Sum of Mulliken spin densities= 1.00000 Electronic spatial extent (au): = 3208.0037 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2443 Y= 0.1797 Z= 0.2850 Tot= 0.4162 Quadrupole moment (field-independent basis, Debye-Ang): XX= -99.7704 YY= -104.5222 ZZ= -103.0027 XY= 2.7670 XZ= -2.2389 YZ= 5.3022 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.6614 YY= -2.0905 ZZ= -0.5709 XY= 2.7670 XZ= -2.2389 YZ= 5.3022 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -50.9228 YYY= 272.1817 ZZZ= -88.5558 XYY= -20.8960 XXY= 79.1206 XXZ= -25.9018 XZZ= -13.4189 YZZ= 89.3942 YYZ= -46.0156 XYZ= 9.6963 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1068.0601 YYYY= -1849.8923 ZZZZ= -1197.9190 XXXY= 78.2356 XXXZ= -43.5489 YYYX= 95.6397 YYYZ= 237.0754 ZZZX= -33.4600 ZZZY= 174.4538 XXYY= -448.9184 XXZZ= -362.5596 YYZZ= -517.3911 XXYZ= 54.1954 YYXZ= -47.0907 ZZXY= 41.0394 N-N= 1.684397717024D+03 E-N=-6.998126395817D+03 KE= 1.004887057186D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.26144 29.12393 2 O -10.34436 15.96873 3 O -4.34573 2.68627 4 O -4.30099 2.68648 5 O -4.30073 2.68819 6 O -4.29718 2.68748 7 O -4.28773 2.68767 8 O -4.28689 2.68766 9 O -4.28683 2.68767 10 O -2.85744 5.08091 11 O -2.84980 5.08710 12 O -2.84900 5.08614 13 O -2.80985 5.07297 14 O -2.80898 5.08693 15 O -2.80843 5.07800 16 O -2.80782 5.09020 17 O -2.80707 5.08529 18 O -2.80672 5.09014 19 O -2.80548 5.09157 20 O -2.80435 5.08657 21 O -2.80305 5.08664 22 O -2.79710 5.08701 23 O -2.79624 5.08700 24 O -2.79617 5.08703 25 O -2.79400 5.08989 26 O -2.79392 5.08927 27 O -2.79331 5.08913 28 O -2.79325 5.08968 29 O -2.79307 5.08957 30 O -2.79300 5.08985 31 O -1.17758 2.85207 32 O -0.58104 2.50603 33 O -0.48102 2.12828 34 O -0.47456 2.02404 35 O -0.46327 2.32819 36 O -0.35689 2.18264 37 O -0.34059 7.76525 38 O -0.33915 7.87169 39 O -0.32807 8.12531 40 O -0.32789 8.37937 41 O -0.32515 8.33833 42 O -0.31169 8.24241 43 O -0.30878 7.78814 44 O -0.30843 8.40816 45 O -0.30755 8.47578 46 O -0.29654 8.79435 47 O -0.29648 8.79420 48 O -0.29216 8.87858 49 O -0.28837 8.73897 50 O -0.28764 8.44102 51 O -0.28606 8.63574 52 O -0.27998 8.80435 53 O -0.27952 8.82575 54 O -0.27385 9.30685 55 O -0.27209 9.27610 56 O -0.27016 9.13019 57 O -0.26758 9.16912 58 O -0.26706 9.17753 59 O -0.26559 9.07148 60 O -0.26290 9.28264 61 O -0.26285 8.99975 62 O -0.26170 9.35692 63 O -0.26035 9.37489 64 O -0.26027 9.38720 65 O -0.25935 9.45859 66 O -0.25868 9.46604 67 O -0.25798 9.57071 68 O -0.25587 9.37514 69 O -0.25287 9.62124 70 O -0.25258 9.61238 71 O -0.24773 9.74065 72 O -0.20904 2.45584 73 O -0.20680 2.47248 74 O -0.14621 1.66464 75 V -0.08591 1.51198 76 V -0.08219 1.83537 77 V -0.07620 1.36083 78 V -0.07321 0.90089 79 V -0.07302 0.83834 80 V -0.02912 0.70557 81 V -0.02591 0.75629 82 V -0.00715 0.66639 83 V -0.00308 0.75673 84 V 0.00177 0.48999 85 V 0.01656 0.55501 86 V 0.02029 0.46432 87 V 0.02788 0.47043 88 V 0.03171 0.40131 89 V 0.03445 0.37122 90 V 0.03526 0.36680 91 V 0.04263 0.32896 92 V 0.04283 0.33315 93 V 0.04893 0.34810 94 V 0.04935 0.33338 95 V 0.05240 0.36078 96 V 0.05956 0.39142 97 V 0.06165 0.44938 98 V 0.07051 0.42095 99 V 0.07165 0.41708 100 V 0.08310 0.26922 101 V 0.08385 0.26913 102 V 0.08499 0.24774 103 V 0.08830 0.44432 104 V 0.09722 0.90947 105 V 0.09830 0.23693 106 V 0.10385 0.47792 107 V 0.10389 0.33826 108 V 0.11790 0.60949 109 V 0.12138 0.64593 110 V 0.18913 1.24147 111 V 0.19106 1.14898 112 V 0.19731 1.26771 113 V 0.21666 0.96995 114 V 0.23456 1.33214 115 V 0.24325 1.25262 116 V 0.24917 1.39324 117 V 0.26816 1.43784 118 V 0.27435 1.21843 119 V 0.27842 1.17499 120 V 0.30483 1.48291 121 V 0.30910 1.47600 122 V 0.34010 1.51865 123 V 0.39552 1.41565 124 V 0.41169 1.46565 125 V 0.54056 2.82775 126 V 0.63618 4.36087 127 V 0.64634 3.78702 128 V 0.65634 4.17341 129 V 0.67092 4.08491 130 V 0.67413 3.85515 131 V 0.67801 4.26552 132 V 0.69036 3.76763 133 V 0.69758 3.69354 134 V 0.71036 3.70364 135 V 0.73494 3.39482 136 V 0.77152 3.62405 137 V 0.78569 4.61749 138 V 0.81850 3.73352 139 V 0.82689 4.21180 140 V 0.84398 4.07655 141 V 0.86006 4.32678 142 V 0.86883 4.22159 143 V 0.86931 4.42723 144 V 0.89685 3.88336 145 V 0.90171 4.48234 146 V 0.91963 4.42966 147 V 0.93900 4.05800 148 V 0.98533 3.70554 149 V 1.02893 4.49549 150 V 1.03138 4.44998 151 V 1.04779 4.46790 152 V 1.06471 4.47220 153 V 1.08250 4.49766 154 V 1.16666 4.23342 155 V 1.17915 4.25273 156 V 1.21769 4.62746 157 V 1.24945 4.67180 158 V 1.28574 4.67287 159 V 1.29067 4.62984 160 V 1.29414 4.61503 161 V 1.31328 4.63250 162 V 1.31650 4.64812 163 V 1.32008 4.65831 164 V 1.35358 4.78038 165 V 1.55654 2.69344 166 V 1.68197 3.20162 167 V 1.80325 2.01732 168 V 1.84191 2.05106 169 V 2.21381 1.35712 170 V 2.24513 1.69955 171 V 2.36400 1.69115 172 V 10.22224 2.93476 Orbital energies and kinetic energies (beta): 1 2 1 O -19.26051 29.12465 2 O -10.34243 15.96962 3 O -4.34319 2.68614 4 O -4.30046 2.68652 5 O -4.30019 2.68819 6 O -4.29657 2.68751 7 O -4.28738 2.68768 8 O -4.28641 2.68766 9 O -4.28634 2.68767 10 O -2.85439 5.08125 11 O -2.84769 5.08692 12 O -2.84641 5.08590 13 O -2.80899 5.07376 14 O -2.80861 5.07999 15 O -2.80837 5.08258 16 O -2.80786 5.09283 17 O -2.80618 5.08348 18 O -2.80572 5.09100 19 O -2.80450 5.08795 20 O -2.80441 5.09009 21 O -2.80228 5.08830 22 O -2.79675 5.08716 23 O -2.79564 5.08712 24 O -2.79556 5.08720 25 O -2.79379 5.08996 26 O -2.79355 5.08930 27 O -2.79301 5.09003 28 O -2.79295 5.09002 29 O -2.79256 5.08909 30 O -2.79250 5.08904 31 O -1.17546 2.84983 32 O -0.57753 2.51085 33 O -0.47694 2.13654 34 O -0.47334 2.02691 35 O -0.45598 2.27538 36 O -0.35223 2.45632 37 O -0.33911 7.75912 38 O -0.33818 7.90103 39 O -0.32603 8.79222 40 O -0.32451 8.59571 41 O -0.32174 7.41271 42 O -0.31035 8.11518 43 O -0.30747 8.45085 44 O -0.30673 8.51339 45 O -0.30483 7.95819 46 O -0.29595 8.83271 47 O -0.29588 8.82337 48 O -0.29201 8.88328 49 O -0.28748 8.75203 50 O -0.28532 8.67440 51 O -0.28470 8.44335 52 O -0.27919 8.83294 53 O -0.27850 8.84979 54 O -0.27206 9.31438 55 O -0.27045 9.27601 56 O -0.26980 9.13874 57 O -0.26618 9.18701 58 O -0.26592 9.18918 59 O -0.26482 9.08904 60 O -0.26233 9.41548 61 O -0.26122 9.37996 62 O -0.26075 8.93329 63 O -0.25958 9.31364 64 O -0.25927 9.38704 65 O -0.25780 9.60065 66 O -0.25748 9.50663 67 O -0.25739 9.44802 68 O -0.25299 9.35107 69 O -0.25190 9.64360 70 O -0.25144 9.63390 71 O -0.24747 9.75304 72 O -0.20592 2.34542 73 O -0.20379 2.38227 74 V -0.10064 1.51940 75 V -0.08062 1.20281 76 V -0.07836 1.91281 77 V -0.07121 0.82850 78 V -0.07077 1.56624 79 V -0.06980 0.83587 80 V -0.02308 0.63853 81 V -0.02044 0.64626 82 V -0.00488 0.70365 83 V -0.00162 0.77505 84 V 0.00684 0.46899 85 V 0.01841 0.53952 86 V 0.02090 0.45870 87 V 0.02929 0.49163 88 V 0.03345 0.39348 89 V 0.03691 0.34471 90 V 0.03728 0.34505 91 V 0.04304 0.33240 92 V 0.04334 0.34060 93 V 0.05038 0.34312 94 V 0.05092 0.32824 95 V 0.05359 0.35995 96 V 0.06109 0.40909 97 V 0.06305 0.46023 98 V 0.07152 0.44709 99 V 0.07259 0.44091 100 V 0.08305 0.26627 101 V 0.08391 0.26111 102 V 0.08502 0.23995 103 V 0.09116 0.48654 104 V 0.09844 0.23434 105 V 0.10090 0.77832 106 V 0.10445 0.50868 107 V 0.10448 0.46603 108 V 0.12180 0.61807 109 V 0.12495 0.65300 110 V 0.19280 1.28382 111 V 0.19589 1.13529 112 V 0.20055 1.21878 113 V 0.21796 0.96104 114 V 0.23679 1.33269 115 V 0.24607 1.24209 116 V 0.25209 1.39803 117 V 0.27012 1.43286 118 V 0.27728 1.20676 119 V 0.28080 1.16774 120 V 0.30761 1.47786 121 V 0.31058 1.46800 122 V 0.34298 1.52259 123 V 0.39658 1.41649 124 V 0.41449 1.47026 125 V 0.54321 2.80928 126 V 0.64030 4.34632 127 V 0.64887 3.77301 128 V 0.65923 4.20466 129 V 0.67240 4.06632 130 V 0.67679 3.82306 131 V 0.68035 4.25411 132 V 0.69179 3.79125 133 V 0.69964 3.69258 134 V 0.71248 3.70031 135 V 0.73714 3.39194 136 V 0.77297 3.61181 137 V 0.78738 4.61111 138 V 0.82135 3.73259 139 V 0.82937 4.23031 140 V 0.84686 4.08990 141 V 0.86178 4.31994 142 V 0.87068 4.19861 143 V 0.87193 4.42498 144 V 0.90054 3.89712 145 V 0.90564 4.47256 146 V 0.92289 4.42145 147 V 0.94120 4.05969 148 V 0.98713 3.69485 149 V 1.03135 4.49671 150 V 1.03479 4.44405 151 V 1.05102 4.45686 152 V 1.06751 4.46577 153 V 1.08582 4.49531 154 V 1.16856 4.22926 155 V 1.18115 4.24814 156 V 1.22092 4.62431 157 V 1.25200 4.67005 158 V 1.28837 4.66990 159 V 1.29298 4.62915 160 V 1.29615 4.61240 161 V 1.31517 4.62705 162 V 1.31892 4.64784 163 V 1.32176 4.65799 164 V 1.35699 4.78253 165 V 1.55813 2.69954 166 V 1.68386 3.20319 167 V 1.80449 2.01770 168 V 1.84356 2.05045 169 V 2.21539 1.35711 170 V 2.24845 1.69443 171 V 2.36560 1.69237 172 V 10.22375 2.93470 Total kinetic energy from orbitals= 1.004887057186D+03 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00311 0.00111 0.00104 2 Cu(63) 0.00000 0.00269 0.00096 0.00090 3 Cu(63) 0.00000 0.00275 0.00098 0.00092 4 Cu(63) 0.00000 0.00068 0.00024 0.00023 5 Cu(63) 0.00000 0.00212 0.00076 0.00071 6 Cu(63) 0.00000 0.00408 0.00146 0.00136 7 Cu(63) 0.00000 0.00212 0.00076 0.00071 8 C(13) 0.09721 109.27776 38.99302 36.45114 9 O(17) 0.01351 -8.19125 -2.92284 -2.73231 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.009282 0.025578 -0.016297 2 Atom 0.118955 -0.059731 -0.059224 3 Atom -0.055239 -0.044420 0.099659 4 Atom -0.006336 -0.015264 0.021600 5 Atom -0.022685 -0.023622 0.046307 6 Atom -0.051894 0.102513 -0.050619 7 Atom 0.055045 -0.026988 -0.028056 8 Atom -0.021835 0.061278 -0.039443 9 Atom -0.030352 0.066025 -0.035674 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.010681 -0.005103 0.008067 2 Atom 0.008774 0.008722 -0.020042 3 Atom -0.029169 -0.042850 0.034180 4 Atom -0.006858 0.037072 -0.014629 5 Atom -0.008537 -0.022508 0.007698 6 Atom 0.054522 0.024752 0.039864 7 Atom -0.005503 0.003182 -0.006907 8 Atom 0.058980 0.011887 0.053503 9 Atom 0.095757 0.058894 0.088803 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0222 -3.142 -1.121 -1.048 0.5306 -0.2551 0.8083 1 Cu(63) Bbb -0.0073 -1.035 -0.369 -0.345 0.8113 -0.1233 -0.5714 Bcc 0.0295 4.177 1.491 1.393 0.2455 0.9590 0.1416 Baa -0.0803 -11.367 -4.056 -3.792 -0.0620 0.7102 0.7013 2 Cu(63) Bbb -0.0394 -5.583 -1.992 -1.862 -0.0003 -0.7027 0.7115 Bcc 0.1197 16.951 6.048 5.654 0.9981 0.0439 0.0437 Baa -0.0804 -11.387 -4.063 -3.798 0.8115 0.5783 0.0833 3 Cu(63) Bbb -0.0403 -5.706 -2.036 -1.903 -0.5197 0.7796 -0.3495 Bcc 0.1207 17.092 6.099 5.701 -0.2671 0.2403 0.9332 Baa -0.0325 -4.601 -1.642 -1.535 0.7859 -0.1875 -0.5893 4 Cu(63) Bbb -0.0186 -2.631 -0.939 -0.878 0.2885 0.9540 0.0812 Bcc 0.0511 7.232 2.581 2.412 0.5470 -0.2338 0.8039 Baa -0.0335 -4.740 -1.691 -1.581 0.8075 0.5639 0.1734 5 Cu(63) Bbb -0.0208 -2.940 -1.049 -0.981 -0.5129 0.8162 -0.2658 Bcc 0.0542 7.680 2.740 2.562 -0.2914 0.1257 0.9483 Baa -0.0774 -10.955 -3.909 -3.654 0.8108 -0.1187 -0.5732 6 Cu(63) Bbb -0.0539 -7.627 -2.721 -2.544 0.4985 -0.3732 0.7824 Bcc 0.1312 18.582 6.630 6.198 0.3068 0.9201 0.2434 Baa -0.0345 -4.881 -1.742 -1.628 0.0162 0.6845 0.7288 7 Cu(63) Bbb -0.0211 -2.987 -1.066 -0.996 0.0810 0.7256 -0.6833 Bcc 0.0556 7.868 2.807 2.624 0.9966 -0.0701 0.0437 Baa -0.0689 -9.248 -3.300 -3.085 0.4473 -0.5058 0.7376 8 C(13) Bbb -0.0418 -5.608 -2.001 -1.871 0.7959 -0.1511 -0.5863 Bcc 0.1107 14.856 5.301 4.955 0.4080 0.8493 0.3349 Baa -0.0922 6.675 2.382 2.226 0.7863 -0.1378 -0.6023 9 O(17) Bbb -0.0859 6.213 2.217 2.072 0.3956 -0.6365 0.6621 Bcc 0.1781 -12.887 -4.599 -4.299 0.4746 0.7589 0.4460 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sat Apr 12 23:53:51 2008, MaxMem= 1258291200 cpu: 3.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l9999.exe) 1\1\GINC-CO-COMPUTE2\FOpt\UB3LYP\LANL2DZ\C1Cu7O1(2)\ZNAMESKI\12-Apr-20 08\0\\#P B3LYP/LANL2DZ Opt nosymm Pop=Full Freq(Raman) Geom=AllCheck\\ Cu7CO03\\0,2\Cu,1.271816174,1.0763963509,1.4621905774\Cu,1.063419559,0 .3950490359,-0.8978088164\Cu,-0.9858044758,0.7081851913,0.5368018182\C u,0.5405487649,-1.3394319221,0.9405086031\Cu,1.3072946473,-2.010406304 ,-1.3831704925\Cu,-0.9571994838,-1.0117987861,-1.2574653101\Cu,-1.9886 740721,-1.5102590254,0.9401799327\C,1.1304638256,-2.7620596005,2.10706 64405\O,1.2784235896,-3.8255832913,2.580699975\\Version=IA64L-G03RevE. 01\HF=-1486.534512\S2=0.754871\S2-1=0.\S2A=0.750019\RMSD=3.094e-09\RMS F=7.655e-05\Thermal=0.\Dipole=0.0961009,0.0706924,0.1121353\PG=C01 [X( C1Cu7O1)]\\@ SUCCESS IS COUNTED SWEETEST BY THOSE WHO NE'ER SUCCEED. TO COMPREHEND NECTAR REQUIRES SOREST NEED. EMILY DICKINSON Leave Link 9999 at Sat Apr 12 23:53:51 2008, MaxMem= 1258291200 cpu: 0.2 Job cpu time: 0 days 0 hours 1 minutes 58.3 seconds. File lengths (MBytes): RWF= 33 Int= 0 D2E= 0 Chk= 15 Scr= 1 Normal termination of Gaussian 03 at Sat Apr 12 23:53:51 2008. (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1.exe) Link1: Proceeding to internal job step number 2. ----------------------------------------------------------------- #P Geom=AllCheck Guess=Read SCRF=Check GenChk UB3LYP/LANL2DZ Freq ----------------------------------------------------------------- 1/10=4,29=7,30=1,38=1121,40=1,46=1/1,3,6; 2/15=1,40=1/2; 3/5=6,6=3,11=2,16=1,25=1,30=1,70=2,71=2,74=-5/1,2,3; 4/5=1,7=2,69=2/1; 5/5=2,38=6/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10; 10/6=1,31=1/2; 6/7=3,28=1/1; 7/10=1,25=1,30=1/1,2,3,16; 1/38=1120,46=1/6(3); 7/8=1,25=1,30=1,44=-1/16; 1/10=4,30=1,38=1120,46=1/3; 99//99; 3/5=6,6=3,11=2,14=-3,16=1,25=1,30=1,70=5,71=2,74=-5/1,2,3; 4/5=5,7=2,16=3,69=2/1; 5/5=2,38=5/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10; 10/6=101,13=10,31=1/2; 6/7=2,8=2,9=2,10=2,28=1/1; 7/7=1,10=1,30=1/16; 1/38=1120,46=1/6(-8); 7/8=1,25=1,30=1,44=-1/16; 1/10=4,30=1,38=1120,46=1/3; 99//99; Leave Link 1 at Sat Apr 12 23:53:52 2008, MaxMem= 1258291200 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l101.exe) ------- Cu7CO03 ------- Redundant internal coordinates taken from checkpoint file: Cu7CO03.chk Charge = 0 Multiplicity = 2 Cu,0,1.271816174,1.0763963509,1.4621905774 Cu,0,1.063419559,0.3950490359,-0.8978088164 Cu,0,-0.9858044758,0.7081851913,0.5368018182 Cu,0,0.5405487649,-1.3394319221,0.9405086031 Cu,0,1.3072946473,-2.010406304,-1.3831704925 Cu,0,-0.9571994838,-1.0117987861,-1.2574653101 Cu,0,-1.9886740721,-1.5102590254,0.9401799327 C,0,1.1304638256,-2.7620596005,2.1070664405 O,0,1.2784235896,-3.8255832913,2.580699975 Recover connectivity data from disk. Isotopes and Nuclear Properties: (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) in nuclear magnetons) Atom 1 2 3 4 5 6 7 8 9 IAtWgt= 63 63 63 63 63 63 63 12 16 AtmWgt= 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 12.0000000 15.9949146 NucSpn= 3 3 3 3 3 3 3 0 0 AtZEff= -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -3.6000000 -5.6000000 NQMom= -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 0.0000000 0.0000000 NMagM= 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 0.0000000 0.0000000 Leave Link 101 at Sat Apr 12 23:53:52 2008, MaxMem= 1258291200 cpu: 0.2 (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) 2.4652 calculate D2E/DX2 analytically ! ! R2 R(1,3) 2.4675 calculate D2E/DX2 analytically ! ! R3 R(1,4) 2.5774 calculate D2E/DX2 analytically ! ! R4 R(2,3) 2.521 calculate D2E/DX2 analytically ! ! R5 R(2,4) 2.5809 calculate D2E/DX2 analytically ! ! R6 R(2,5) 2.466 calculate D2E/DX2 analytically ! ! R7 R(2,6) 2.4883 calculate D2E/DX2 analytically ! ! R8 R(3,4) 2.5856 calculate D2E/DX2 analytically ! ! R9 R(3,6) 2.4857 calculate D2E/DX2 analytically ! ! R10 R(3,7) 2.4678 calculate D2E/DX2 analytically ! ! R11 R(4,5) 2.5372 calculate D2E/DX2 analytically ! ! R12 R(4,6) 2.6799 calculate D2E/DX2 analytically ! ! R13 R(4,7) 2.535 calculate D2E/DX2 analytically ! ! R14 R(4,8) 1.932 calculate D2E/DX2 analytically ! ! R15 R(5,6) 2.4781 calculate D2E/DX2 analytically ! ! R16 R(6,7) 2.4783 calculate D2E/DX2 analytically ! ! R17 R(8,9) 1.1736 calculate D2E/DX2 analytically ! ! A1 A(1,2,5) 116.7217 calculate D2E/DX2 analytically ! ! A2 A(1,2,6) 111.3021 calculate D2E/DX2 analytically ! ! A3 A(3,2,5) 108.2733 calculate D2E/DX2 analytically ! ! A4 A(1,3,6) 111.3113 calculate D2E/DX2 analytically ! ! A5 A(1,3,7) 116.4013 calculate D2E/DX2 analytically ! ! A6 A(2,3,7) 108.1611 calculate D2E/DX2 analytically ! ! A7 A(1,4,5) 110.3344 calculate D2E/DX2 analytically ! ! A8 A(1,4,6) 102.1214 calculate D2E/DX2 analytically ! ! A9 A(1,4,7) 110.259 calculate D2E/DX2 analytically ! ! A10 A(1,4,8) 118.7724 calculate D2E/DX2 analytically ! ! A11 A(2,4,7) 104.3192 calculate D2E/DX2 analytically ! ! A12 A(2,4,8) 149.6615 calculate D2E/DX2 analytically ! ! A13 A(3,4,5) 104.1715 calculate D2E/DX2 analytically ! ! A14 A(3,4,8) 149.0531 calculate D2E/DX2 analytically ! ! A15 A(5,4,7) 106.4734 calculate D2E/DX2 analytically ! ! A16 A(5,4,8) 105.4253 calculate D2E/DX2 analytically ! ! A17 A(6,4,8) 139.1037 calculate D2E/DX2 analytically ! ! A18 A(7,4,8) 104.7794 calculate D2E/DX2 analytically ! ! A19 A(2,6,7) 108.8762 calculate D2E/DX2 analytically ! ! A20 A(3,6,5) 109.0246 calculate D2E/DX2 analytically ! ! A21 A(5,6,7) 110.1365 calculate D2E/DX2 analytically ! ! A22 A(4,8,9) 161.7062 calculate D2E/DX2 analytically ! ! D1 D(5,2,3,7) 0.3292 calculate D2E/DX2 analytically ! ! D2 D(1,2,6,7) -6.6372 calculate D2E/DX2 analytically ! ! D3 D(1,3,6,5) 6.3213 calculate D2E/DX2 analytically ! ! D4 D(1,4,8,9) 177.8268 calculate D2E/DX2 analytically ! ! D5 D(2,4,8,9) -108.9501 calculate D2E/DX2 analytically ! ! D6 D(3,4,8,9) 104.6386 calculate D2E/DX2 analytically ! ! D7 D(5,4,8,9) -57.9254 calculate D2E/DX2 analytically ! ! D8 D(6,4,8,9) -1.4835 calculate D2E/DX2 analytically ! ! D9 D(7,4,8,9) 54.2243 calculate D2E/DX2 analytically ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 Number of steps in this run= 2 maximum allowed number of steps= 2. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Sat Apr 12 23:53:52 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 Differentiate once with respect to electric field. Nuclear step= 0.001000 Angstroms, electric field step= 0.001890 atomic units. Leave Link 106 at Sat Apr 12 23:53:53 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 1.271816 1.076396 1.462191 2 29 0 1.063420 0.395049 -0.897809 3 29 0 -0.985804 0.708185 0.536802 4 29 0 0.540549 -1.339432 0.940509 5 29 0 1.307295 -2.010406 -1.383170 6 29 0 -0.957199 -1.011799 -1.257465 7 29 0 -1.988674 -1.510259 0.940180 8 6 0 1.130464 -2.762060 2.107066 9 8 0 1.278424 -3.825583 2.580700 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.465210 0.000000 3 Cu 2.467544 2.521008 0.000000 4 Cu 2.577427 2.580936 2.585627 0.000000 5 Cu 4.198296 2.466022 4.041700 2.537241 0.000000 6 Cu 4.089694 2.488267 2.485670 2.679866 2.478095 7 Cu 4.194530 4.040257 2.467784 2.534985 4.063436 8 C 3.894816 4.359026 4.357398 1.932027 3.574634 9 O 5.027973 5.473572 5.464367 3.068491 4.359813 6 7 8 9 6 Cu 0.000000 7 Cu 2.478315 0.000000 8 C 4.329183 3.557759 0.000000 9 O 5.258033 4.327350 1.173586 0.000000 Symmetry turned off by external request. Stoichiometry CCu7O(2) Framework group C1[X(CCu7O)] Deg. of freedom 21 Full point group C1 Rotational constants (GHZ): 0.3684787 0.3489290 0.3333678 Leave Link 202 at Sat Apr 12 23:53:53 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1684.3977170244 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sat Apr 12 23:53:53 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 554 NPtTot= 95048 NUsed= 98963 NTot= 98995 NSgBfM= 186 186 186 186. Leave Link 302 at Sat Apr 12 23:53:55 2008, MaxMem= 1258291200 cpu: 7.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Sat Apr 12 23:53:56 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the checkpoint file: Cu7CO03.chk Guess basis will be translated and rotated to current coordinates. of initial guess= 0.7549 Leave Link 401 at Sat Apr 12 23:53:56 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 98962 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306792921. IEnd= 239127 IEndB= 239127 NGot=1258291200 MDV= 955639210 LenX= 955639210 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1486.53451199578 DIIS: error= 2.70D-09 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1486.53451199578 IErMin= 1 ErrMin= 2.70D-09 ErrMax= 2.70D-09 EMaxC= 1.00D-01 BMatC= 6.12D-15 BMatP= 6.12D-15 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.100D+01 Coeff: 0.100D+01 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.28D-09 MaxDP=2.44D-08 OVMax= 1.08D-07 SCF Done: E(UB+HF-LYP) = -1486.53451200 A.U. after 1 cycles Convg = 0.1277D-08 -V/T = 2.4793 S**2 = 0.7549 KE= 1.004887060373D+03 PE=-6.998126399003D+03 EE= 2.822307109610D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7549, after 0.7500 Leave Link 502 at Sat Apr 12 23:54:09 2008, MaxMem= 1258291200 cpu: 41.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 172 NBasis= 172 NAE= 74 NBE= 73 NFC= 0 NFV= 0 NROrb= 172 NOA= 74 NOB= 73 NVA= 98 NVB= 99 **** Warning!!: The largest alpha MO coefficient is 0.12366716D+02 **** Warning!!: The smallest alpha delta epsilon is 0.60299080D-01 **** Warning!!: The largest beta MO coefficient is 0.12365437D+02 Leave Link 801 at Sat Apr 12 23:54:10 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 9. Will process 10 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Sat Apr 12 23:54:17 2008, MaxMem= 1258291200 cpu: 17.5 (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 23:54:17 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 9. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291126. G2DrvN: will do 10 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Sat Apr 12 23:55:45 2008, MaxMem= 1258291200 cpu: 282.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: UHF wavefunction. DoAtom=TTTTTTTTT Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F. MDV= 1258291117 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 303287412. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. There are 30 degrees of freedom in the 1st order CPHF. 27 vectors were produced by pass 0. AX will form 27 AO Fock derivatives at one time. 27 vectors were produced by pass 1. 27 vectors were produced by pass 2. 27 vectors were produced by pass 3. 27 vectors were produced by pass 4. 27 vectors were produced by pass 5. 27 vectors were produced by pass 6. 26 vectors were produced by pass 7. 15 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. Inv2: IOpt= 1 Iter= 1 AM= 2.20D-15 Conv= 1.00D-12. Inverted reduced A of dimension 236 with in-core refinement. FullF1: Do perturbations 1 to 30. Isotropic polarizability for W= 0.000000 275.50 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sun Apr 13 00:00:05 2008, MaxMem= 1258291200 cpu: 874.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26144 -10.34436 -4.34574 -4.30099 -4.30073 Alpha occ. eigenvalues -- -4.29718 -4.28773 -4.28689 -4.28683 -2.85744 Alpha occ. eigenvalues -- -2.84980 -2.84900 -2.80985 -2.80898 -2.80843 Alpha occ. eigenvalues -- -2.80782 -2.80707 -2.80672 -2.80548 -2.80435 Alpha occ. eigenvalues -- -2.80305 -2.79710 -2.79624 -2.79617 -2.79400 Alpha occ. eigenvalues -- -2.79392 -2.79331 -2.79325 -2.79307 -2.79300 Alpha occ. eigenvalues -- -1.17758 -0.58104 -0.48102 -0.47456 -0.46327 Alpha occ. eigenvalues -- -0.35689 -0.34059 -0.33915 -0.32807 -0.32789 Alpha occ. eigenvalues -- -0.32515 -0.31169 -0.30878 -0.30843 -0.30755 Alpha occ. eigenvalues -- -0.29654 -0.29648 -0.29216 -0.28837 -0.28764 Alpha occ. eigenvalues -- -0.28606 -0.27998 -0.27952 -0.27385 -0.27209 Alpha occ. eigenvalues -- -0.27016 -0.26758 -0.26706 -0.26559 -0.26290 Alpha occ. eigenvalues -- -0.26285 -0.26170 -0.26035 -0.26027 -0.25935 Alpha occ. eigenvalues -- -0.25868 -0.25798 -0.25587 -0.25287 -0.25258 Alpha occ. eigenvalues -- -0.24773 -0.20904 -0.20680 -0.14621 Alpha virt. eigenvalues -- -0.08591 -0.08219 -0.07620 -0.07321 -0.07302 Alpha virt. eigenvalues -- -0.02912 -0.02591 -0.00715 -0.00308 0.00177 Alpha virt. eigenvalues -- 0.01656 0.02029 0.02788 0.03171 0.03445 Alpha virt. eigenvalues -- 0.03526 0.04263 0.04283 0.04893 0.04935 Alpha virt. eigenvalues -- 0.05240 0.05956 0.06165 0.07051 0.07165 Alpha virt. eigenvalues -- 0.08310 0.08385 0.08499 0.08830 0.09722 Alpha virt. eigenvalues -- 0.09830 0.10385 0.10389 0.11790 0.12138 Alpha virt. eigenvalues -- 0.18913 0.19106 0.19731 0.21666 0.23456 Alpha virt. eigenvalues -- 0.24325 0.24917 0.26816 0.27435 0.27842 Alpha virt. eigenvalues -- 0.30483 0.30910 0.34010 0.39552 0.41169 Alpha virt. eigenvalues -- 0.54056 0.63618 0.64634 0.65634 0.67092 Alpha virt. eigenvalues -- 0.67413 0.67801 0.69036 0.69758 0.71036 Alpha virt. eigenvalues -- 0.73494 0.77152 0.78569 0.81850 0.82689 Alpha virt. eigenvalues -- 0.84398 0.86006 0.86883 0.86931 0.89685 Alpha virt. eigenvalues -- 0.90171 0.91963 0.93900 0.98533 1.02893 Alpha virt. eigenvalues -- 1.03138 1.04779 1.06471 1.08250 1.16666 Alpha virt. eigenvalues -- 1.17915 1.21769 1.24945 1.28574 1.29067 Alpha virt. eigenvalues -- 1.29414 1.31328 1.31650 1.32008 1.35358 Alpha virt. eigenvalues -- 1.55654 1.68197 1.80325 1.84191 2.21381 Alpha virt. eigenvalues -- 2.24513 2.36400 10.22224 Beta occ. eigenvalues -- -19.26051 -10.34243 -4.34319 -4.30046 -4.30019 Beta occ. eigenvalues -- -4.29657 -4.28738 -4.28641 -4.28634 -2.85439 Beta occ. eigenvalues -- -2.84769 -2.84641 -2.80899 -2.80861 -2.80837 Beta occ. eigenvalues -- -2.80786 -2.80618 -2.80572 -2.80450 -2.80441 Beta occ. eigenvalues -- -2.80228 -2.79675 -2.79564 -2.79556 -2.79379 Beta occ. eigenvalues -- -2.79355 -2.79301 -2.79295 -2.79256 -2.79250 Beta occ. eigenvalues -- -1.17546 -0.57753 -0.47694 -0.47334 -0.45598 Beta occ. eigenvalues -- -0.35223 -0.33911 -0.33818 -0.32603 -0.32451 Beta occ. eigenvalues -- -0.32174 -0.31035 -0.30747 -0.30673 -0.30483 Beta occ. eigenvalues -- -0.29595 -0.29588 -0.29201 -0.28748 -0.28532 Beta occ. eigenvalues -- -0.28470 -0.27919 -0.27850 -0.27206 -0.27045 Beta occ. eigenvalues -- -0.26980 -0.26618 -0.26592 -0.26482 -0.26233 Beta occ. eigenvalues -- -0.26122 -0.26075 -0.25958 -0.25927 -0.25780 Beta occ. eigenvalues -- -0.25748 -0.25739 -0.25299 -0.25190 -0.25144 Beta occ. eigenvalues -- -0.24747 -0.20592 -0.20379 Beta virt. eigenvalues -- -0.10064 -0.08062 -0.07836 -0.07121 -0.07077 Beta virt. eigenvalues -- -0.06980 -0.02308 -0.02044 -0.00488 -0.00162 Beta virt. eigenvalues -- 0.00684 0.01841 0.02090 0.02929 0.03345 Beta virt. eigenvalues -- 0.03691 0.03728 0.04304 0.04334 0.05038 Beta virt. eigenvalues -- 0.05092 0.05359 0.06109 0.06305 0.07152 Beta virt. eigenvalues -- 0.07259 0.08305 0.08391 0.08502 0.09116 Beta virt. eigenvalues -- 0.09844 0.10090 0.10445 0.10448 0.12180 Beta virt. eigenvalues -- 0.12495 0.19280 0.19589 0.20055 0.21796 Beta virt. eigenvalues -- 0.23679 0.24607 0.25209 0.27012 0.27728 Beta virt. eigenvalues -- 0.28080 0.30761 0.31058 0.34298 0.39658 Beta virt. eigenvalues -- 0.41449 0.54321 0.64030 0.64887 0.65923 Beta virt. eigenvalues -- 0.67240 0.67679 0.68035 0.69179 0.69964 Beta virt. eigenvalues -- 0.71248 0.73714 0.77297 0.78738 0.82135 Beta virt. eigenvalues -- 0.82937 0.84686 0.86178 0.87068 0.87193 Beta virt. eigenvalues -- 0.90054 0.90564 0.92289 0.94120 0.98713 Beta virt. eigenvalues -- 1.03135 1.03479 1.05102 1.06751 1.08582 Beta virt. eigenvalues -- 1.16856 1.18115 1.22092 1.25200 1.28837 Beta virt. eigenvalues -- 1.29298 1.29614 1.31517 1.31892 1.32176 Beta virt. eigenvalues -- 1.35699 1.55813 1.68386 1.80449 1.84356 Beta virt. eigenvalues -- 2.21539 2.24845 2.36560 10.22375 Alpha Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.26144 -10.34436 -4.34574 -4.30099 -4.30073 1 1 Cu 1S -0.00010 0.00028 0.00038 0.00860 0.00434 2 2S -0.00017 0.00039 -0.00075 -0.00063 -0.00032 3 3S -0.00013 -0.00251 -0.00355 -0.00080 -0.00043 4 4PX 0.00000 -0.00001 0.00002 0.00008 0.00010 5 4PY 0.00001 -0.00006 0.00008 0.00007 0.00003 6 4PZ 0.00000 0.00000 0.00002 0.00016 0.00004 7 5PX -0.00002 0.00001 0.00063 -0.00023 0.00068 8 5PY 0.00015 0.00026 0.00184 -0.00014 -0.00019 9 5PZ -0.00006 -0.00004 0.00050 0.00037 -0.00035 10 6PX -0.00011 0.00055 0.00044 0.00047 -0.00019 11 6PY 0.00013 0.00038 0.00018 0.00075 0.00045 12 6PZ -0.00017 0.00069 0.00057 0.00014 0.00037 13 7D 0 0.00000 0.00000 0.00003 -0.00008 0.00006 14 7D+1 0.00000 -0.00001 0.00000 -0.00004 -0.00006 15 7D-1 0.00000 -0.00003 0.00001 -0.00005 0.00001 16 7D+2 0.00000 -0.00001 0.00005 -0.00002 -0.00007 17 7D-2 0.00000 -0.00002 -0.00001 -0.00001 -0.00002 18 8D 0 0.00002 0.00001 -0.00006 0.00026 -0.00016 19 8D+1 0.00001 0.00005 -0.00006 0.00017 0.00020 20 8D-1 -0.00001 0.00016 -0.00016 0.00015 -0.00002 21 8D+2 0.00002 0.00004 -0.00011 0.00004 0.00021 22 8D-2 -0.00001 0.00011 -0.00008 0.00004 0.00007 23 2 Cu 1S -0.00004 0.00045 0.00026 0.95061 -0.31666 24 2S -0.00008 0.00072 -0.00144 0.00854 -0.00387 25 3S -0.00095 0.00264 -0.00173 0.00642 -0.00436 26 4PX 0.00000 0.00000 0.00002 0.00215 -0.00061 27 4PY 0.00000 -0.00002 0.00010 0.00238 -0.00080 28 4PZ 0.00000 0.00002 -0.00011 -0.00214 0.00063 29 5PX 0.00001 -0.00020 0.00036 -0.00137 0.00157 30 5PY 0.00022 -0.00117 0.00188 -0.00185 0.00024 31 5PZ -0.00015 0.00111 -0.00196 0.00166 -0.00142 32 6PX -0.00001 -0.00024 0.00052 -0.00129 0.00114 33 6PY -0.00018 -0.00008 0.00080 -0.00093 -0.00014 34 6PZ -0.00053 -0.00006 0.00064 0.00054 -0.00070 35 7D 0 0.00000 -0.00001 -0.00001 -0.00003 0.00001 36 7D+1 0.00000 0.00001 0.00001 -0.00017 0.00011 37 7D-1 0.00000 0.00002 0.00001 0.00010 -0.00005 38 7D+2 0.00000 0.00001 0.00001 0.00000 -0.00004 39 7D-2 0.00000 -0.00001 -0.00001 0.00023 -0.00007 40 8D 0 -0.00001 0.00006 -0.00005 0.00004 -0.00003 41 8D+1 -0.00002 -0.00007 0.00008 -0.00026 0.00004 42 8D-1 0.00001 -0.00017 0.00025 -0.00013 0.00010 43 8D+2 0.00001 -0.00008 0.00004 -0.00005 0.00006 44 8D-2 0.00001 0.00008 -0.00006 0.00019 -0.00005 45 3 Cu 1S -0.00004 0.00044 0.00023 0.31460 0.95126 46 2S -0.00008 0.00070 -0.00143 0.00201 0.00916 47 3S -0.00089 0.00253 -0.00182 0.00038 0.00782 48 4PX 0.00000 0.00001 -0.00009 -0.00081 -0.00211 49 4PY 0.00000 -0.00003 0.00011 0.00103 0.00302 50 4PZ 0.00000 0.00001 -0.00003 0.00036 0.00089 51 5PX -0.00009 0.00082 -0.00157 -0.00046 0.00238 52 5PY 0.00023 -0.00129 0.00220 -0.00079 -0.00231 53 5PZ -0.00008 0.00036 -0.00061 0.00048 -0.00086 54 6PX -0.00052 0.00001 0.00059 -0.00040 0.00120 55 6PY -0.00012 -0.00011 0.00083 -0.00058 -0.00111 56 6PZ -0.00016 -0.00022 0.00056 0.00014 -0.00121 57 7D 0 0.00000 0.00002 0.00001 -0.00005 -0.00014 58 7D+1 0.00000 -0.00001 -0.00001 0.00001 -0.00013 59 7D-1 0.00000 0.00000 0.00000 0.00007 0.00027 60 7D+2 0.00000 0.00001 0.00000 -0.00003 0.00003 61 7D-2 0.00000 0.00002 0.00001 0.00001 -0.00001 62 8D 0 0.00000 -0.00012 0.00009 -0.00007 -0.00023 63 8D+1 -0.00002 0.00004 -0.00001 -0.00008 -0.00007 64 8D-1 0.00002 -0.00002 0.00005 0.00007 0.00008 65 8D+2 0.00001 -0.00005 0.00006 0.00003 -0.00004 66 8D-2 0.00000 -0.00017 0.00027 -0.00006 -0.00024 67 4 Cu 1S 0.00032 0.00158 0.99883 -0.00314 -0.00154 68 2S 0.00040 0.00243 0.00365 -0.00211 -0.00105 69 3S 0.00072 0.00407 0.01816 -0.00025 -0.00016 70 4PX 0.00000 0.00003 0.00043 0.00002 0.00005 71 4PY -0.00003 -0.00004 -0.00047 -0.00009 -0.00005 72 4PZ 0.00001 0.00006 0.00070 0.00008 0.00001 73 5PX 0.00018 0.00211 -0.00501 -0.00109 0.00142 74 5PY 0.00059 -0.00656 0.00986 -0.00046 -0.00055 75 5PZ 0.00011 0.00453 -0.00935 0.00021 -0.00123 76 6PX 0.00028 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0.00266 0.00026 47 3S 0.00368 0.00117 -0.01897 -0.05101 -0.00419 48 4PX -0.00241 0.00099 -0.38255 -0.27650 0.40756 49 4PY 0.00434 0.00030 0.36593 0.60304 0.41771 50 4PZ -0.00136 0.00083 0.31844 0.34597 0.11670 51 5PX -0.00010 -0.00058 -0.01033 -0.01394 0.00767 52 5PY -0.00157 -0.00116 0.01356 0.02061 0.00809 53 5PZ 0.00108 -0.00013 0.00526 0.01074 0.00229 54 6PX 0.00390 0.00737 0.00384 -0.00693 -0.01070 55 6PY 0.00341 0.00441 0.00104 -0.00233 -0.00506 56 6PZ -0.00286 0.00328 -0.00266 -0.00351 -0.00155 57 7D 0 -0.00015 0.00003 -0.00046 -0.00056 -0.00007 58 7D+1 0.00003 0.00003 -0.00072 -0.00038 0.00026 59 7D-1 0.00001 -0.00001 0.00075 0.00078 0.00034 60 7D+2 -0.00001 0.00007 -0.00001 -0.00065 -0.00104 61 7D-2 -0.00019 0.00001 -0.00104 -0.00106 0.00020 62 8D 0 0.00075 -0.00026 0.00053 0.00037 0.00017 63 8D+1 -0.00002 -0.00032 0.00123 -0.00033 -0.00095 64 8D-1 -0.00030 0.00016 -0.00076 -0.00033 0.00021 65 8D+2 -0.00019 -0.00065 -0.00074 0.00058 0.00059 66 8D-2 0.00099 -0.00003 0.00065 0.00053 -0.00050 67 4 Cu 1S 0.00001 0.00038 0.00140 0.00012 0.00012 68 2S 0.00002 0.00067 -0.00009 0.00000 0.00006 69 3S -0.00037 -0.01583 0.02822 0.00268 0.00319 70 4PX 0.80420 0.53454 -0.00265 -0.00548 -0.00204 71 4PY -0.13963 0.58077 0.00893 0.00164 -0.00148 72 4PZ -0.57267 0.60904 -0.00699 0.00320 -0.00157 73 5PX 0.02105 0.01624 -0.00318 -0.00642 -0.00300 74 5PY -0.00383 0.01763 0.01102 0.00221 -0.00356 75 5PZ -0.01504 0.01874 -0.00833 0.00366 -0.00263 76 6PX -0.01603 -0.00669 -0.00248 0.00148 0.00602 77 6PY 0.00254 -0.01469 0.00059 -0.00120 0.01406 78 6PZ 0.01147 -0.00565 -0.00364 -0.00240 0.00831 79 7D 0 -0.00001 0.00010 -0.00001 -0.00015 -0.00008 80 7D+1 0.00000 0.00030 0.00001 0.00008 0.00001 81 7D-1 0.00002 -0.00007 -0.00025 0.00009 0.00000 82 7D+2 -0.00001 -0.00005 -0.00014 0.00003 -0.00007 83 7D-2 -0.00004 0.00000 -0.00010 -0.00019 -0.00001 84 8D 0 -0.00033 0.00006 0.00013 0.00060 0.00072 85 8D+1 0.00017 -0.00001 0.00005 -0.00034 -0.00001 86 8D-1 0.00025 0.00044 0.00119 -0.00048 -0.00004 87 8D+2 0.00007 0.00027 0.00075 -0.00009 0.00078 88 8D-2 -0.00041 0.00022 0.00045 0.00096 -0.00010 89 5 Cu 1S -0.00172 0.00156 0.00095 -0.00161 0.00125 90 2S -0.00081 0.00125 0.00101 -0.00105 0.00018 91 3S -0.00455 0.00677 -0.00165 -0.00813 -0.00017 92 4PX -0.00192 0.00224 0.00542 -0.01179 0.00751 93 4PY 0.00221 -0.00120 -0.00915 0.02559 -0.03699 94 4PZ 0.00707 -0.00475 -0.00452 0.00787 -0.00823 95 5PX -0.00175 -0.00186 0.00046 -0.00078 0.00090 96 5PY 0.00090 -0.00177 0.00208 -0.00168 -0.00050 97 5PZ -0.00277 0.00301 -0.00040 0.00090 -0.00232 98 6PX 0.00478 0.00011 0.00281 0.00114 -0.00387 99 6PY -0.00423 0.00486 0.00009 -0.00179 -0.00430 100 6PZ 0.00593 -0.00268 -0.00194 -0.00522 0.00548 101 7D 0 -0.00023 0.00017 -0.00003 0.00012 -0.00019 102 7D+1 0.00026 -0.00005 -0.00005 0.00004 -0.00006 103 7D-1 -0.00019 0.00020 0.00005 -0.00012 0.00022 104 7D+2 0.00001 -0.00001 -0.00003 0.00015 -0.00033 105 7D-2 0.00011 -0.00008 -0.00004 0.00012 -0.00016 106 8D 0 0.00106 -0.00085 0.00022 -0.00059 0.00091 107 8D+1 -0.00153 -0.00002 0.00015 -0.00009 0.00025 108 8D-1 0.00091 -0.00119 -0.00004 0.00037 -0.00114 109 8D+2 0.00005 0.00025 0.00019 -0.00083 0.00170 110 8D-2 -0.00065 0.00043 -0.00007 -0.00024 0.00057 111 6 Cu 1S 0.00000 0.00114 0.00252 0.00016 0.00165 112 2S 0.00001 0.00077 0.00156 0.00011 0.00092 113 3S 0.00000 0.00655 0.01379 0.00134 -0.00686 114 4PX 0.00063 -0.00268 -0.08933 0.07474 -0.07667 115 4PY -0.00011 0.00092 -0.11128 -0.02410 -0.09696 116 4PZ -0.00042 -0.00402 -0.08985 -0.06752 -0.08486 117 5PX -0.00164 0.00191 -0.00105 -0.00124 -0.00387 118 5PY 0.00025 -0.00124 0.00125 0.00030 -0.00244 119 5PZ 0.00116 0.00305 -0.00217 0.00064 -0.00471 120 6PX 0.00816 0.00052 0.00268 -0.00229 0.00164 121 6PY -0.00131 0.00421 0.00216 0.00050 0.00191 122 6PZ -0.00572 -0.00045 0.00265 0.00176 0.00444 123 7D 0 -0.00009 0.00011 0.00000 0.00039 0.00002 124 7D+1 0.00004 0.00014 0.00030 -0.00011 0.00027 125 7D-1 0.00001 0.00004 0.00048 0.00028 0.00041 126 7D+2 0.00004 0.00010 0.00005 -0.00030 -0.00001 127 7D-2 -0.00003 0.00001 0.00040 -0.00020 0.00033 128 8D 0 0.00076 -0.00036 0.00021 -0.00152 0.00012 129 8D+1 -0.00033 -0.00045 -0.00044 0.00049 -0.00085 130 8D-1 -0.00003 -0.00049 -0.00156 -0.00121 -0.00159 131 8D+2 -0.00037 -0.00047 -0.00027 0.00124 0.00030 132 8D-2 0.00026 -0.00025 -0.00130 0.00108 -0.00127 133 7 Cu 1S 0.00170 0.00162 0.00065 0.00162 0.00120 134 2S 0.00079 0.00126 0.00077 0.00121 0.00039 135 3S 0.00429 0.00669 -0.00326 0.00751 0.00154 136 4PX -0.00756 -0.00562 -0.00512 -0.01532 -0.01521 137 4PY -0.00079 -0.00007 -0.00416 -0.01861 -0.02741 138 4PZ -0.00036 0.00060 0.00289 0.01165 0.00810 139 5PX 0.00173 0.00299 -0.00006 -0.00048 -0.00184 140 5PY -0.00081 -0.00254 0.00172 0.00227 0.00053 141 5PZ 0.00274 -0.00036 -0.00005 0.00008 0.00001 142 6PX -0.00308 -0.00165 -0.00347 0.00426 0.00461 143 6PY 0.00387 0.00522 0.00051 0.00152 -0.00413 144 6PZ -0.00704 -0.00176 0.00178 0.00103 -0.00095 145 7D 0 -0.00022 -0.00010 -0.00002 -0.00006 -0.00015 146 7D+1 -0.00010 0.00002 -0.00005 -0.00009 -0.00010 147 7D-1 -0.00003 -0.00002 -0.00001 -0.00009 -0.00012 148 7D+2 0.00032 0.00023 0.00001 -0.00006 -0.00013 149 7D-2 0.00008 0.00015 0.00003 0.00016 0.00027 150 8D 0 0.00109 0.00049 0.00012 0.00034 0.00081 151 8D+1 0.00078 -0.00037 0.00014 0.00022 0.00036 152 8D-1 0.00023 0.00011 -0.00007 0.00020 0.00042 153 8D+2 -0.00166 -0.00105 0.00012 0.00055 0.00074 154 8D-2 -0.00032 -0.00104 -0.00002 -0.00052 -0.00124 155 8 C 1S 0.00000 -0.00020 -0.00003 0.00000 0.00001 156 2S 0.00000 -0.00056 -0.00029 -0.00003 0.00023 157 3S -0.00005 0.00165 0.00414 0.00033 -0.00055 158 4PX 0.00071 0.00028 -0.00008 -0.00011 -0.00005 159 4PY -0.00011 0.00130 0.00011 0.00002 -0.00003 160 4PZ -0.00053 0.00010 -0.00015 0.00007 -0.00005 161 5PX -0.00363 -0.00314 -0.00171 0.00231 0.00075 162 5PY 0.00069 -0.00363 0.00215 -0.00019 0.00071 163 5PZ 0.00264 -0.00364 -0.00236 -0.00198 0.00038 164 9 O 1S 0.00000 0.00001 -0.00001 0.00000 0.00000 165 2S -0.00001 0.00015 -0.00014 -0.00002 -0.00010 166 3S 0.00004 -0.00062 0.00067 0.00011 0.00045 167 4PX -0.00024 -0.00016 -0.00011 0.00010 0.00004 168 4PY 0.00005 -0.00011 0.00006 -0.00002 0.00009 169 4PZ 0.00017 -0.00021 -0.00014 -0.00010 0.00002 170 5PX 0.00118 0.00090 0.00067 -0.00077 -0.00027 171 5PY -0.00020 0.00127 -0.00030 0.00015 -0.00039 172 5PZ -0.00087 0.00099 0.00081 0.00065 -0.00014 16 17 18 19 20 O O O O O EIGENVALUES -- -2.80782 -2.80707 -2.80672 -2.80548 -2.80435 1 1 Cu 1S -0.00037 -0.00127 -0.00041 0.00008 0.00001 2 2S -0.00009 -0.00050 -0.00018 0.00052 0.00000 3 3S -0.00034 -0.00631 -0.00223 0.00778 0.00003 4 4PX -0.03503 -0.01608 -0.01943 -0.00699 0.00369 5 4PY 0.00147 -0.01693 -0.00339 -0.00293 -0.00045 6 4PZ 0.01154 -0.02705 0.00139 -0.00852 -0.00227 7 5PX 0.00202 -0.00099 0.00226 -0.00114 0.00000 8 5PY -0.00102 0.00038 -0.00021 -0.00064 0.00002 9 5PZ -0.00165 -0.00005 -0.00177 -0.00153 0.00000 10 6PX -0.00569 0.00500 -0.00465 -0.00096 0.00078 11 6PY 0.00280 -0.00012 0.00086 -0.00232 -0.00016 12 6PZ 0.00357 0.00320 0.00555 -0.00057 -0.00055 13 7D 0 0.00041 -0.00016 0.00014 -0.00006 -0.00006 14 7D+1 -0.00023 -0.00022 -0.00014 -0.00013 0.00002 15 7D-1 0.00011 -0.00016 0.00001 -0.00008 -0.00004 16 7D+2 -0.00034 -0.00004 -0.00013 -0.00005 0.00005 17 7D-2 -0.00015 -0.00010 -0.00006 -0.00006 0.00004 18 8D 0 -0.00237 0.00099 -0.00051 0.00037 0.00032 19 8D+1 0.00122 0.00121 0.00073 0.00077 -0.00011 20 8D-1 -0.00057 0.00036 0.00000 0.00046 0.00021 21 8D+2 0.00186 0.00043 0.00060 0.00030 -0.00026 22 8D-2 0.00067 0.00025 -0.00002 0.00033 -0.00022 23 2 Cu 1S -0.00132 -0.00035 0.00021 -0.00187 -0.00124 24 2S 0.00051 -0.00219 -0.00059 -0.00026 0.00010 25 3S -0.01974 0.01888 -0.00791 -0.01830 -0.00318 26 4PX 0.08639 0.56293 -0.34602 0.15245 0.06570 27 4PY -0.22452 -0.50325 0.24244 0.07006 0.05529 28 4PZ -0.53535 0.44885 -0.16046 0.07022 0.03860 29 5PX 0.00442 0.00984 -0.00582 0.00647 0.00115 30 5PY -0.00475 -0.01258 0.00680 0.00326 0.00133 31 5PZ -0.01448 0.00965 -0.00700 0.00168 0.00267 32 6PX 0.00305 -0.01157 0.01042 -0.00031 0.00009 33 6PY 0.01528 0.00399 -0.00424 0.00430 -0.00228 34 6PZ 0.00999 -0.00135 0.00426 -0.00160 -0.00840 35 7D 0 0.00057 -0.00045 0.00023 0.00007 0.00009 36 7D+1 -0.00043 -0.00016 -0.00002 -0.00016 -0.00003 37 7D-1 -0.00041 0.00102 -0.00041 -0.00003 -0.00003 38 7D+2 0.00011 0.00099 -0.00039 -0.00002 -0.00008 39 7D-2 -0.00012 0.00014 -0.00011 -0.00009 -0.00010 40 8D 0 0.00003 -0.00002 -0.00045 -0.00145 -0.00112 41 8D+1 -0.00098 0.00021 0.00130 0.00060 -0.00014 42 8D-1 0.00007 -0.00012 0.00010 0.00031 -0.00002 43 8D+2 0.00129 -0.00011 -0.00072 0.00039 0.00069 44 8D-2 0.00000 -0.00017 -0.00028 0.00196 0.00129 45 3 Cu 1S 0.00109 -0.00007 -0.00032 -0.00190 0.00124 46 2S -0.00051 -0.00217 -0.00085 -0.00022 -0.00012 47 3S 0.02077 0.01270 0.01900 -0.01825 0.00307 48 4PX 0.75408 0.15595 0.07595 0.03596 -0.02815 49 4PY 0.26419 -0.23882 -0.42374 0.09096 -0.06397 50 4PZ 0.06300 0.34639 0.77363 0.17549 -0.06994 51 5PX 0.01994 0.00199 0.00480 0.00033 -0.00241 52 5PY 0.00394 -0.00572 -0.01246 0.00422 -0.00117 53 5PZ -0.00004 0.00584 0.01539 0.00651 -0.00183 54 6PX -0.01584 0.00194 0.00224 -0.00078 0.00831 55 6PY -0.01663 -0.00092 0.00290 0.00416 0.00108 56 6PZ -0.00430 -0.00249 -0.01643 -0.00186 0.00256 57 7D 0 0.00028 0.00037 0.00067 -0.00009 0.00008 58 7D+1 0.00020 -0.00038 -0.00057 -0.00011 -0.00002 59 7D-1 0.00028 0.00044 0.00081 -0.00007 0.00012 60 7D+2 -0.00087 0.00029 0.00039 0.00009 -0.00004 61 7D-2 0.00072 0.00041 0.00063 -0.00004 0.00001 62 8D 0 -0.00038 0.00029 -0.00030 0.00061 -0.00049 63 8D+1 0.00074 0.00068 -0.00054 -0.00006 0.00061 64 8D-1 -0.00042 -0.00049 0.00018 0.00206 -0.00145 65 8D+2 -0.00071 -0.00072 0.00066 -0.00143 0.00079 66 8D-2 0.00031 0.00048 -0.00058 0.00009 0.00032 67 4 Cu 1S 0.00004 -0.00160 -0.00053 -0.00076 0.00000 68 2S 0.00001 -0.00029 -0.00011 -0.00034 0.00000 69 3S 0.00013 -0.00330 -0.00091 -0.01081 -0.00006 70 4PX 0.00101 -0.00041 0.00481 0.00266 -0.00098 71 4PY -0.00038 -0.00689 -0.00297 -0.00082 0.00016 72 4PZ -0.00116 0.00403 -0.00219 0.00388 0.00071 73 5PX 0.00007 -0.00259 0.00282 0.00348 -0.00260 74 5PY -0.00087 -0.00025 -0.00059 0.00005 0.00039 75 5PZ -0.00057 -0.00146 -0.00314 0.00488 0.00191 76 6PX 0.01031 -0.00160 0.00397 0.00102 0.01034 77 6PY 0.00111 -0.00452 -0.00234 -0.00070 -0.00159 78 6PZ -0.00504 0.00125 -0.00291 0.00127 -0.00731 79 7D 0 0.00013 -0.00001 0.00018 -0.00009 0.00009 80 7D+1 -0.00007 -0.00002 -0.00010 -0.00011 -0.00004 81 7D-1 -0.00005 0.00028 0.00002 0.00001 -0.00001 82 7D+2 -0.00007 0.00020 0.00000 -0.00007 -0.00004 83 7D-2 0.00011 0.00008 0.00018 0.00002 0.00003 84 8D 0 -0.00087 0.00010 -0.00089 0.00037 -0.00076 85 8D+1 0.00045 0.00036 0.00056 0.00040 0.00033 86 8D-1 0.00026 -0.00163 -0.00028 0.00009 0.00004 87 8D+2 0.00057 -0.00117 -0.00003 0.00040 0.00038 88 8D-2 -0.00058 -0.00057 -0.00077 -0.00002 -0.00025 89 5 Cu 1S -0.00050 -0.00060 0.00034 -0.00094 -0.00134 90 2S 0.00024 0.00020 -0.00002 -0.00121 -0.00021 91 3S 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-2.79300 1 1 Cu 1S 0.00018 0.00066 0.00044 0.00016 0.00025 2 2S -0.00010 0.00126 0.00084 0.00026 0.00042 3 3S -0.00920 0.01401 0.00921 0.00190 0.00324 4 4PX -0.21922 0.00803 -0.01347 -0.00061 0.00505 5 4PY 0.82733 0.00381 0.00499 -0.00823 -0.01162 6 4PZ -0.51128 -0.00908 0.00735 0.00775 0.00600 7 5PX -0.00307 -0.00122 -0.00206 0.00076 -0.00166 8 5PY 0.01849 -0.00420 -0.00264 0.00010 0.00046 9 5PZ -0.00877 -0.00218 -0.00052 -0.00164 -0.00055 10 6PX 0.00339 -0.00108 -0.00207 -0.00034 0.00115 11 6PY -0.00669 -0.00207 -0.00108 -0.00343 -0.00532 12 6PZ 0.00642 -0.00237 -0.00063 0.00204 0.00170 13 7D 0 -0.00139 0.00000 0.00006 -0.00002 0.00003 14 7D+1 -0.00101 0.00000 -0.00002 0.00003 0.00002 15 7D-1 0.00072 -0.00001 0.00002 -0.00005 -0.00003 16 7D+2 -0.00134 0.00007 0.00001 0.00001 -0.00004 17 7D-2 0.00084 0.00000 -0.00002 0.00000 -0.00003 18 8D 0 -0.00020 -0.00014 -0.00026 0.00032 -0.00006 19 8D+1 -0.00018 -0.00002 0.00006 -0.00011 0.00002 20 8D-1 -0.00012 0.00003 0.00002 0.00028 0.00008 21 8D+2 -0.00022 -0.00040 -0.00020 0.00000 0.00040 22 8D-2 -0.00004 0.00015 0.00006 -0.00011 0.00014 23 2 Cu 1S 0.00007 0.00024 0.00016 -0.00005 -0.00020 24 2S 0.00120 0.00006 0.00032 0.00172 -0.00001 25 3S 0.00305 -0.01105 0.00304 -0.01343 -0.00472 26 4PX -0.00059 -0.00263 0.00036 -0.00728 -0.00143 27 4PY -0.00858 -0.00165 0.00064 0.02771 0.00501 28 4PZ -0.01305 -0.00459 0.00092 0.00824 0.00172 29 5PX 0.00038 -0.00070 -0.00064 -0.00097 0.00044 30 5PY -0.00315 0.00102 -0.00126 -0.00097 0.00109 31 5PZ 0.00257 -0.00343 0.00172 -0.00077 -0.00059 32 6PX 0.00114 0.00236 -0.00062 0.00715 0.00062 33 6PY 0.00205 -0.00049 0.00082 0.00560 0.00365 34 6PZ -0.00376 0.00179 0.00000 -0.00039 0.00197 35 7D 0 -0.00020 0.00000 -0.00003 0.00022 0.00002 36 7D+1 -0.00002 0.00001 0.00003 -0.00001 0.00003 37 7D-1 -0.00007 0.00001 0.00003 -0.00010 -0.00004 38 7D+2 0.00004 -0.00003 0.00003 0.00036 0.00003 39 7D-2 0.00001 -0.00001 0.00001 0.00006 0.00006 40 8D 0 0.00150 0.00009 0.00016 -0.00153 -0.00015 41 8D+1 0.00016 -0.00005 -0.00017 0.00017 -0.00018 42 8D-1 0.00006 0.00018 -0.00029 0.00038 0.00022 43 8D+2 -0.00019 0.00023 -0.00021 -0.00246 -0.00022 44 8D-2 -0.00006 0.00028 -0.00014 -0.00004 -0.00033 45 3 Cu 1S 0.00006 0.00023 0.00019 -0.00017 -0.00012 46 2S 0.00114 0.00028 -0.00010 -0.00063 0.00158 47 3S 0.00329 -0.00168 -0.01081 0.00056 -0.01471 48 4PX -0.01323 -0.00075 -0.00434 -0.00264 0.01543 49 4PY -0.00652 -0.00031 -0.00253 -0.00464 0.02437 50 4PZ -0.00361 -0.00085 -0.00341 0.00150 -0.00807 51 5PX 0.00157 0.00029 -0.00309 -0.00021 -0.00080 52 5PY -0.00334 -0.00083 0.00180 0.00149 -0.00039 53 5PZ 0.00172 -0.00055 -0.00184 0.00043 -0.00101 54 6PX -0.00324 0.00069 0.00068 0.00268 -0.00064 55 6PY 0.00274 0.00056 -0.00070 0.00062 0.00761 56 6PZ -0.00058 0.00034 0.00270 -0.00139 0.00563 57 7D 0 0.00008 0.00003 -0.00003 -0.00005 0.00018 58 7D+1 -0.00013 0.00000 0.00001 0.00002 0.00005 59 7D-1 0.00001 0.00003 -0.00003 0.00000 0.00012 60 7D+2 -0.00013 -0.00001 -0.00001 -0.00011 0.00027 61 7D-2 -0.00003 0.00004 0.00002 0.00004 -0.00024 62 8D 0 -0.00049 -0.00020 0.00016 0.00030 -0.00120 63 8D+1 0.00097 0.00001 0.00002 -0.00019 -0.00018 64 8D-1 -0.00023 -0.00013 0.00048 -0.00003 -0.00062 65 8D+2 0.00094 0.00010 0.00023 0.00077 -0.00206 66 8D-2 -0.00020 -0.00022 0.00003 -0.00017 0.00138 67 4 Cu 1S -0.00017 0.00061 0.00042 -0.00033 -0.00045 68 2S -0.00129 0.00214 0.00148 -0.00096 -0.00132 69 3S 0.02563 -0.02384 -0.01622 0.00998 0.01352 70 4PX 0.00211 -0.00121 0.00656 0.00112 -0.00310 71 4PY 0.00545 0.00208 0.00032 -0.00145 -0.00133 72 4PZ 0.00183 0.00502 -0.00174 -0.00304 -0.00094 73 5PX 0.00136 -0.00069 -0.00396 -0.00254 0.00130 74 5PY -0.00745 -0.00179 -0.00086 -0.00011 -0.00082 75 5PZ 0.00373 -0.00397 -0.00005 0.00155 -0.00145 76 6PX -0.00244 0.00159 0.00290 -0.00409 -0.00374 77 6PY 0.00733 -0.00578 -0.00410 -0.00241 -0.00396 78 6PZ -0.00490 0.00533 0.00236 -0.00328 -0.00600 79 7D 0 -0.00020 -0.00027 0.00025 0.00019 -0.00006 80 7D+1 0.00000 0.00016 -0.00006 -0.00009 0.00000 81 7D-1 0.00012 -0.00013 0.00004 0.00008 0.00001 82 7D+2 -0.00028 -0.00007 -0.00033 -0.00002 0.00018 83 7D-2 0.00018 0.00004 -0.00003 -0.00003 0.00001 84 8D 0 0.00110 0.00167 -0.00144 -0.00108 0.00033 85 8D+1 0.00012 -0.00063 0.00058 0.00061 0.00011 86 8D-1 -0.00054 0.00059 -0.00021 -0.00021 0.00001 87 8D+2 0.00156 0.00031 0.00182 0.00004 -0.00101 88 8D-2 -0.00085 -0.00019 0.00003 0.00009 0.00021 89 5 Cu 1S -0.00045 -0.00014 0.00009 0.00028 -0.00071 90 2S -0.00089 0.00006 0.00015 0.00032 -0.00119 91 3S -0.01177 0.00623 0.00295 -0.00468 -0.00981 92 4PX 0.00488 0.56896 -0.10904 0.61630 0.11260 93 4PY 0.01061 -0.14969 0.03261 0.69399 0.12764 94 4PZ -0.00817 0.78084 -0.15594 -0.31495 -0.06061 95 5PX 0.00142 0.01108 -0.00152 0.01372 0.00477 96 5PY -0.00074 -0.00159 0.00070 0.01344 0.00172 97 5PZ -0.00368 0.01726 -0.00098 -0.00685 -0.00306 98 6PX 0.00080 -0.00688 -0.00043 -0.00581 0.00126 99 6PY -0.00348 0.00239 0.00055 -0.00715 0.00021 100 6PZ 0.00033 -0.00744 -0.00072 0.00256 -0.00348 101 7D 0 0.00009 -0.00161 0.00024 0.00060 0.00014 102 7D+1 -0.00003 0.00023 -0.00006 -0.00124 -0.00022 103 7D-1 -0.00002 -0.00117 0.00023 -0.00035 -0.00005 104 7D+2 0.00003 0.00047 -0.00005 0.00191 0.00037 105 7D-2 0.00000 -0.00108 0.00020 -0.00017 -0.00004 106 8D 0 -0.00045 -0.00029 0.00058 0.00029 -0.00008 107 8D+1 0.00009 0.00014 0.00002 0.00020 -0.00001 108 8D-1 0.00015 0.00006 0.00004 0.00002 -0.00004 109 8D+2 -0.00004 0.00007 -0.00023 0.00045 -0.00011 110 8D-2 -0.00002 -0.00034 0.00014 0.00000 0.00009 111 6 Cu 1S -0.00014 0.00037 0.00026 -0.00005 -0.00007 112 2S -0.00012 -0.00155 -0.00101 -0.00066 -0.00102 113 3S 0.00524 0.00827 0.00505 0.01460 0.02153 114 4PX -0.00001 0.02911 -0.02577 0.01798 -0.00461 115 4PY -0.00063 -0.01876 -0.00538 -0.01228 -0.01348 116 4PZ 0.00015 -0.00030 0.03133 -0.00245 0.01846 117 5PX 0.00038 -0.00095 -0.00104 0.00006 0.00244 118 5PY -0.00032 -0.00023 -0.00007 -0.00139 -0.00235 119 5PZ 0.00060 -0.00160 -0.00086 0.00278 0.00231 120 6PX 0.00071 0.00578 0.00127 0.00459 0.00059 121 6PY -0.00074 0.00298 0.00227 0.00268 0.00499 122 6PZ 0.00117 0.00495 0.00502 -0.00035 0.00410 123 7D 0 0.00002 -0.00015 0.00032 -0.00016 0.00015 124 7D+1 0.00000 -0.00004 -0.00023 0.00003 -0.00014 125 7D-1 -0.00002 -0.00003 -0.00014 0.00002 -0.00006 126 7D+2 0.00002 0.00022 -0.00002 0.00013 0.00003 127 7D-2 -0.00002 -0.00025 0.00011 -0.00014 0.00002 128 8D 0 -0.00008 0.00092 -0.00240 0.00105 -0.00111 129 8D+1 0.00003 -0.00020 0.00124 -0.00017 0.00091 130 8D-1 0.00009 0.00043 0.00081 -0.00002 0.00004 131 8D+2 -0.00011 -0.00156 0.00033 -0.00112 -0.00030 132 8D-2 0.00010 0.00152 -0.00050 0.00053 0.00005 133 7 Cu 1S -0.00047 0.00001 -0.00018 -0.00077 0.00001 134 2S -0.00093 0.00013 -0.00001 -0.00124 -0.00012 135 3S -0.01193 0.00498 0.00475 -0.00775 -0.00750 136 4PX -0.00590 0.10251 0.52437 0.05786 -0.33138 137 4PY 0.01125 -0.03120 -0.16807 -0.15414 0.83723 138 4PZ 0.00070 0.16138 0.80772 -0.07481 0.38709 139 5PX -0.00404 0.00437 0.01158 -0.00108 -0.00846 140 5PY 0.00002 -0.00033 -0.00233 -0.00310 0.01675 141 5PZ 0.00014 0.00455 0.01569 -0.00026 0.00944 142 6PX -0.00073 -0.00213 -0.00382 -0.00427 0.00124 143 6PY -0.00322 0.00141 0.00188 0.00385 -0.00755 144 6PZ 0.00131 -0.00418 -0.00818 0.00134 -0.00354 145 7D 0 -0.00002 0.00031 0.00129 -0.00011 0.00062 146 7D+1 0.00002 -0.00026 -0.00096 0.00023 -0.00114 147 7D-1 0.00000 -0.00021 -0.00109 -0.00006 0.00034 148 7D+2 0.00007 -0.00026 -0.00114 -0.00026 0.00159 149 7D-2 -0.00005 -0.00007 -0.00039 0.00022 -0.00120 150 8D 0 0.00016 -0.00025 0.00041 -0.00018 0.00030 151 8D+1 -0.00020 0.00034 -0.00031 -0.00008 0.00017 152 8D-1 0.00005 -0.00008 -0.00023 0.00000 0.00012 153 8D+2 -0.00033 0.00021 -0.00023 -0.00028 0.00029 154 8D-2 0.00026 0.00002 0.00024 0.00003 -0.00010 155 8 C 1S 0.00012 -0.00002 -0.00001 0.00000 0.00000 156 2S 0.00157 0.00014 0.00016 -0.00017 -0.00030 157 3S -0.00998 0.00181 0.00091 -0.00068 -0.00068 158 4PX -0.00005 -0.00007 -0.00051 -0.00002 0.00028 159 4PY -0.00029 0.00010 0.00015 0.00002 -0.00002 160 4PZ -0.00002 -0.00058 -0.00006 0.00030 0.00019 161 5PX 0.00082 0.00009 0.00413 0.00090 -0.00230 162 5PY 0.00085 0.00168 0.00052 -0.00050 -0.00015 163 5PZ 0.00100 0.00360 -0.00033 -0.00233 -0.00077 164 9 O 1S -0.00003 -0.00001 -0.00001 0.00000 0.00001 165 2S -0.00065 -0.00027 -0.00022 0.00012 0.00019 166 3S 0.00288 0.00073 0.00065 -0.00023 -0.00044 167 4PX 0.00003 0.00000 0.00035 0.00003 -0.00021 168 4PY 0.00013 0.00016 0.00006 -0.00014 -0.00016 169 4PZ 0.00002 0.00030 -0.00004 -0.00020 -0.00010 170 5PX -0.00028 -0.00004 -0.00197 -0.00026 0.00116 171 5PY 0.00027 -0.00069 -0.00013 0.00065 0.00065 172 5PZ -0.00052 -0.00178 0.00014 0.00111 0.00047 31 32 33 34 35 O O O O O EIGENVALUES -- -1.17758 -0.58104 -0.48102 -0.47456 -0.46327 1 1 Cu 1S 0.00296 0.00158 0.00137 -0.00001 -0.00210 2 2S 0.00428 0.00695 -0.00830 -0.00003 0.01771 3 3S 0.02249 0.05785 -0.04091 0.00124 -0.00353 4 4PX -0.00002 0.00061 -0.00145 -0.00007 0.00195 5 4PY -0.00038 0.00144 -0.00261 0.00001 0.00476 6 4PZ 0.00005 0.00056 -0.00150 0.00008 0.00174 7 5PX -0.00180 -0.00685 0.00293 0.00188 0.00077 8 5PY -0.00948 -0.01727 0.00917 -0.00055 -0.00551 9 5PZ -0.00049 -0.00618 0.00198 -0.00147 0.00223 10 6PX 0.00028 -0.01219 -0.00881 -0.00903 -0.00347 11 6PY -0.00191 0.00515 0.02797 0.00001 0.00550 12 6PZ 0.00061 -0.01782 -0.01824 0.00795 -0.00639 13 7D 0 0.00010 -0.00095 0.00125 -0.00053 -0.00228 14 7D+1 0.00002 0.00069 -0.00305 0.00028 0.00478 15 7D-1 -0.00007 0.00079 -0.00497 0.00015 0.00466 16 7D+2 0.00012 -0.00179 0.00264 0.00028 -0.00556 17 7D-2 -0.00009 0.00120 -0.00470 -0.00012 0.00560 18 8D 0 -0.00089 -0.00060 -0.00028 -0.00012 -0.00005 19 8D+1 -0.00010 0.00028 -0.00126 0.00009 0.00210 20 8D-1 0.00077 0.00048 -0.00179 0.00012 0.00170 21 8D+2 -0.00115 -0.00105 -0.00014 0.00004 -0.00099 22 8D-2 0.00089 0.00068 -0.00138 -0.00011 0.00175 23 2 Cu 1S 0.00148 0.00098 0.00083 -0.00012 -0.00217 24 2S 0.00134 0.00511 -0.01430 -0.00092 0.02609 25 3S 0.02244 -0.01644 -0.02030 -0.02714 0.04963 26 4PX -0.00020 0.00055 -0.00197 -0.00015 0.00378 27 4PY -0.00006 0.00106 -0.00288 -0.00032 0.00528 28 4PZ -0.00001 -0.00131 0.00319 0.00035 -0.00544 29 5PX 0.00022 -0.00162 0.00422 0.00162 -0.00500 30 5PY -0.00487 0.00174 0.00833 0.00442 -0.01713 31 5PZ 0.00672 0.00168 -0.00460 -0.00351 0.01456 32 6PX -0.00357 -0.00752 -0.00741 -0.00336 0.00422 33 6PY -0.00164 -0.01661 -0.01807 0.01375 -0.00096 34 6PZ 0.00423 -0.03084 -0.02566 -0.00597 0.01492 35 7D 0 0.00002 0.00099 -0.00333 -0.00034 0.00338 36 7D+1 -0.00018 -0.00176 0.00568 0.00016 -0.01086 37 7D-1 -0.00014 -0.00314 0.00787 0.00153 -0.01403 38 7D+2 -0.00007 -0.00112 0.00214 0.00109 -0.00395 39 7D-2 0.00016 0.00154 -0.00454 -0.00072 0.01027 40 8D 0 -0.00001 -0.00016 -0.00113 0.00017 0.00055 41 8D+1 0.00104 0.00006 0.00243 0.00006 -0.00422 42 8D-1 0.00045 0.00018 0.00227 0.00054 -0.00317 43 8D+2 0.00042 0.00097 0.00031 0.00068 -0.00101 44 8D-2 -0.00090 -0.00026 -0.00194 -0.00017 0.00413 45 3 Cu 1S 0.00149 0.00098 0.00084 0.00011 -0.00215 46 2S 0.00136 0.00512 -0.01414 0.00100 0.02597 47 3S 0.02129 -0.01548 -0.01805 0.02775 0.04941 48 4PX 0.00005 -0.00117 0.00296 -0.00034 -0.00517 49 4PY -0.00011 0.00131 -0.00358 0.00040 0.00660 50 4PZ -0.00017 -0.00010 -0.00030 -0.00002 0.00085 51 5PX 0.00504 0.00251 -0.00366 0.00287 0.01165 52 5PY -0.00541 0.00101 0.00916 -0.00537 -0.01966 53 5PZ 0.00315 -0.00133 0.00108 0.00038 0.00301 54 6PX 0.00482 -0.02915 -0.02398 0.00433 0.01193 55 6PY -0.00244 -0.01391 -0.01573 -0.01171 -0.00210 56 6PZ -0.00178 -0.01479 -0.01285 0.00824 0.00911 57 7D 0 -0.00018 -0.00215 0.00602 -0.00109 -0.01106 58 7D+1 -0.00005 0.00008 0.00033 0.00062 -0.00192 59 7D-1 0.00007 -0.00013 -0.00052 -0.00028 0.00297 60 7D+2 -0.00006 -0.00074 0.00071 -0.00079 -0.00363 61 7D-2 -0.00019 -0.00344 0.00938 -0.00147 -0.01711 62 8D 0 0.00104 0.00079 0.00214 -0.00048 -0.00393 63 8D+1 0.00041 -0.00039 0.00051 0.00012 -0.00140 64 8D-1 -0.00053 0.00018 -0.00083 -0.00026 0.00231 65 8D+2 0.00029 0.00046 -0.00013 -0.00060 -0.00104 66 8D-2 0.00072 -0.00001 0.00319 -0.00039 -0.00472 67 4 Cu 1S 0.00113 -0.01109 0.00950 -0.00003 -0.00556 68 2S 0.01236 0.08215 -0.09529 0.00023 0.16039 69 3S -0.10763 -0.21510 0.06627 0.00070 -0.07464 70 4PX -0.00003 -0.01007 0.00575 -0.00742 -0.01628 71 4PY 0.00174 0.02636 -0.02887 0.00147 0.02840 72 4PZ -0.00046 -0.02044 0.01525 0.00541 -0.02943 73 5PX 0.00468 0.00095 -0.00238 -0.00037 0.02715 74 5PY -0.02865 -0.02573 0.02712 -0.00066 -0.04594 75 5PZ 0.01322 0.00787 -0.00931 -0.00018 0.04923 76 6PX 0.00035 0.03391 0.03762 0.04444 0.02224 77 6PY -0.03020 0.08680 0.10234 -0.01135 -0.07743 78 6PZ 0.00797 0.02633 0.02991 -0.03542 0.04971 79 7D 0 -0.00064 0.00312 0.02142 -0.04258 0.04292 80 7D+1 -0.00054 0.02648 -0.02180 0.02143 0.09954 81 7D-1 0.00011 -0.06563 0.10700 0.02550 -0.17579 82 7D+2 -0.00070 -0.03411 0.08659 0.00795 -0.05159 83 7D-2 0.00028 -0.03289 0.04440 -0.04685 -0.09957 84 8D 0 0.00216 0.00038 0.00672 -0.01170 0.01134 85 8D+1 0.00773 0.01025 -0.00429 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0.00163 0.00043 -0.00552 106 8D 0 -0.00037 0.00057 -0.00188 0.00279 0.00138 107 8D+1 -0.00061 -0.00039 0.00050 0.00039 -0.00141 108 8D-1 0.00169 0.00038 0.00097 -0.00151 0.00190 109 8D+2 0.00024 -0.00031 0.00053 -0.00021 -0.00058 110 8D-2 -0.00050 -0.00062 0.00063 -0.00022 -0.00213 111 6 Cu 1S 0.00140 0.00079 0.00100 -0.00001 -0.00174 112 2S 0.00107 0.00464 -0.01171 0.00000 0.02431 113 3S -0.00767 -0.02033 0.00674 -0.00044 0.05831 114 4PX 0.00020 -0.00081 0.00214 -0.00003 -0.00446 115 4PY 0.00003 -0.00001 0.00028 0.00000 -0.00089 116 4PZ 0.00028 -0.00114 0.00298 0.00002 -0.00614 117 5PX 0.00013 0.00012 -0.00130 -0.00144 0.01393 118 5PY 0.00053 0.00646 0.00008 0.00024 -0.00802 119 5PZ 0.00000 -0.00119 -0.00173 0.00084 0.02164 120 6PX -0.00093 -0.00018 0.00533 -0.01267 0.00369 121 6PY -0.00189 -0.01574 -0.01203 0.00244 0.00594 122 6PZ -0.00108 0.00413 0.01028 0.00847 0.00377 123 7D 0 0.00011 0.00154 -0.00338 0.00046 0.00875 124 7D+1 0.00012 0.00253 -0.00600 -0.00017 0.01432 125 7D-1 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0.08151 0.03833 0.09185 91 3S 0.04119 0.01078 0.05122 0.03160 0.20685 92 4PX 0.01640 0.00638 0.00936 -0.00300 0.00553 93 4PY -0.02022 -0.00513 -0.01547 -0.00459 -0.00438 94 4PZ -0.01355 -0.00354 -0.01055 -0.00630 -0.01680 95 5PX -0.01477 -0.00383 -0.03661 0.00248 -0.02978 96 5PY 0.01755 0.02551 0.03559 0.01384 0.03041 97 5PZ 0.01362 0.01246 0.02858 0.01329 0.06407 98 6PX -0.00199 0.00405 0.02413 -0.02733 -0.00288 99 6PY -0.01165 -0.01965 -0.01657 -0.00784 0.01651 100 6PZ 0.00827 -0.02453 -0.02606 -0.00714 -0.00451 101 7D 0 -0.02524 -0.01057 -0.00651 0.04294 0.13270 102 7D+1 -0.06221 -0.04197 -0.06764 0.05109 -0.05656 103 7D-1 0.07766 0.04780 0.11377 0.05691 0.02766 104 7D+2 -0.01682 0.01472 -0.04206 -0.03764 -0.00052 105 7D-2 -0.08882 -0.05453 -0.07963 0.03378 -0.01956 106 8D 0 -0.00768 -0.00465 -0.00423 0.01501 0.04613 107 8D+1 -0.02137 -0.01472 -0.02643 0.02042 -0.01944 108 8D-1 0.02601 0.02021 0.04275 0.02142 0.00919 109 8D+2 -0.00575 0.00434 -0.01507 -0.01310 -0.00049 110 8D-2 -0.03092 -0.02129 -0.03090 0.01236 -0.00798 111 6 Cu 1S -0.01378 0.00168 -0.00011 -0.00281 -0.00223 112 2S 0.22778 0.05908 -0.00065 -0.00609 -0.00587 113 3S -0.01960 0.19611 -0.00544 -0.11342 -0.09262 114 4PX -0.02618 -0.00737 -0.01518 0.00556 -0.00229 115 4PY -0.01287 0.00247 0.00230 0.00467 0.00469 116 4PZ -0.03448 -0.01022 0.01091 -0.00060 0.00447 117 5PX 0.02718 0.04764 -0.01077 -0.02180 -0.01900 118 5PY 0.02494 0.01919 0.00109 0.00225 0.00177 119 5PZ 0.03327 0.06394 0.00495 -0.03279 -0.02589 120 6PX -0.02800 0.00005 -0.04399 0.00460 -0.00662 121 6PY -0.00854 0.05332 0.00612 0.02359 0.01982 122 6PZ -0.03813 -0.00893 0.03082 -0.00999 -0.00098 123 7D 0 0.06484 0.05010 -0.18168 0.05130 -0.06862 124 7D+1 0.09284 0.04671 0.07122 -0.08544 -0.02172 125 7D-1 0.07941 -0.02011 -0.03542 -0.05874 -0.04692 126 7D+2 0.06897 0.05639 0.10910 -0.01248 0.04688 127 7D-2 0.04566 -0.02582 0.00239 -0.04189 -0.05998 128 8D 0 0.02292 0.01867 -0.06229 0.01681 -0.02500 129 8D+1 0.03171 0.01918 0.02429 -0.03103 -0.00852 130 8D-1 0.02901 -0.00403 -0.01233 -0.02037 -0.01659 131 8D+2 0.02537 0.02060 0.03737 -0.00557 0.01563 132 8D-2 0.01637 -0.00684 0.00091 -0.01460 -0.02057 133 7 Cu 1S -0.01026 -0.00088 0.00289 0.00232 -0.00014 134 2S 0.12762 0.02412 -0.08015 0.10039 0.01720 135 3S 0.04168 0.00733 -0.04844 0.20906 -0.01516 136 4PX -0.02184 -0.00552 0.01564 -0.01952 -0.00161 137 4PY -0.01447 -0.00271 0.01159 -0.00192 -0.00408 138 4PZ 0.01342 0.00506 -0.00742 -0.00086 -0.00419 139 5PX 0.02117 0.01545 -0.04470 0.07710 -0.00266 140 5PY 0.01217 0.02122 -0.02364 0.01752 0.00891 141 5PZ -0.01151 -0.00142 0.02907 -0.00890 0.00668 142 6PX 0.00550 -0.02577 0.03597 -0.00080 0.00053 143 6PY -0.01263 -0.01516 0.00852 0.01237 -0.01558 144 6PZ 0.00296 -0.00265 -0.01626 -0.01214 -0.02409 145 7D 0 -0.02541 0.00197 0.05631 -0.07696 -0.00895 146 7D+1 -0.08189 -0.05353 0.07167 0.03977 0.06905 147 7D-1 -0.04934 -0.02042 0.03864 -0.00902 0.03287 148 7D+2 0.03800 0.03682 -0.04981 0.12591 -0.02013 149 7D-2 0.08759 0.04020 -0.11758 0.00109 0.05622 150 8D 0 -0.00891 0.00062 0.02047 -0.02630 -0.00203 151 8D+1 -0.02764 -0.01960 0.02909 0.01420 0.02597 152 8D-1 -0.01763 -0.00794 0.01496 -0.00423 0.01263 153 8D+2 0.01371 0.01346 -0.01835 0.04363 -0.00726 154 8D-2 0.02941 0.01794 -0.04456 0.00097 0.02138 155 8 C 1S 0.03548 -0.00382 0.00023 -0.01477 -0.01178 156 2S -0.08300 0.01269 -0.00075 0.02821 0.02255 157 3S -0.07693 -0.00221 0.00021 0.07798 0.06186 158 4PX 0.01539 0.01134 -0.02057 -0.01121 0.00430 159 4PY -0.11367 0.02159 0.00247 0.04841 0.03635 160 4PZ 0.05005 0.01208 0.01390 -0.01452 -0.02061 161 5PX 0.00434 0.01245 -0.02234 -0.00981 0.00598 162 5PY -0.01039 0.01896 0.00295 0.00670 0.00319 163 5PZ 0.00836 0.01455 0.01505 -0.00139 -0.01091 164 9 O 1S -0.00214 -0.00015 0.00001 0.00263 0.00208 165 2S 0.01145 -0.00056 0.00004 -0.00829 -0.00654 166 3S -0.01393 0.00915 -0.00057 -0.01019 -0.00800 167 4PX -0.00546 -0.05299 0.07615 0.03408 -0.02357 168 4PY 0.07129 -0.03518 -0.01185 -0.04250 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-0.02873 -0.01793 0.08932 -0.00547 -0.00309 16 7D+2 -0.11027 0.13562 -0.05675 0.06200 0.06733 17 7D-2 0.01049 -0.03951 0.08550 -0.02713 -0.00226 18 8D 0 -0.02603 0.05176 -0.01317 -0.03706 0.03966 19 8D+1 -0.01064 0.05406 0.01481 0.01725 0.06763 20 8D-1 -0.01132 -0.00668 0.03011 -0.00118 -0.00015 21 8D+2 -0.03945 0.04479 -0.01998 0.02100 0.02015 22 8D-2 0.00301 -0.01302 0.02937 -0.01032 0.00113 23 2 Cu 1S -0.00231 0.00105 -0.00177 -0.00158 0.00111 24 2S -0.03031 0.03379 -0.08681 -0.07160 0.04323 25 3S -0.14570 -0.06527 -0.09798 -0.14151 0.10012 26 4PX -0.00554 -0.00442 -0.01520 -0.00517 0.00553 27 4PY -0.00299 -0.00234 0.00046 -0.01051 -0.01117 28 4PZ 0.00455 -0.00163 -0.00547 -0.00304 -0.01273 29 5PX 0.01956 -0.00498 0.03420 0.04223 -0.03061 30 5PY 0.03013 0.00636 0.03465 0.03048 0.00892 31 5PZ -0.03034 -0.00716 -0.02949 -0.01025 0.03586 32 6PX -0.00614 -0.02509 -0.00773 0.00980 -0.00375 33 6PY 0.00251 -0.00295 0.01271 -0.02541 -0.03524 34 6PZ -0.00705 -0.01700 -0.01580 -0.01515 -0.03337 35 7D 0 0.02172 0.16080 0.21097 0.07982 0.11115 36 7D+1 0.08330 0.01347 -0.09447 -0.11659 -0.26276 37 7D-1 0.05881 0.30455 -0.26422 -0.21934 0.12370 38 7D+2 -0.02041 -0.25773 -0.25954 0.08964 0.17119 39 7D-2 -0.01912 -0.09110 -0.01267 -0.19219 -0.25590 40 8D 0 0.00840 0.05473 0.06959 0.02604 0.03633 41 8D+1 0.02908 0.00353 -0.03192 -0.03774 -0.08968 42 8D-1 0.02046 0.10478 -0.08589 -0.07274 0.03980 43 8D+2 -0.00647 -0.08873 -0.08561 0.03013 0.05688 44 8D-2 -0.00795 -0.03005 -0.00407 -0.06670 -0.08647 45 3 Cu 1S -0.00230 0.00100 -0.00163 0.00166 0.00109 46 2S -0.03003 0.03128 -0.08385 0.07688 0.04287 47 3S -0.14524 -0.06925 -0.09110 0.14472 0.09956 48 4PX 0.00538 -0.00063 0.00008 0.00319 -0.01592 49 4PY -0.00458 -0.00324 -0.00145 0.01089 -0.00802 50 4PZ -0.00315 -0.00443 -0.01590 0.00509 0.00225 51 5PX -0.02841 -0.00464 -0.03057 0.01831 0.04500 52 5PY 0.03727 0.00723 0.04279 -0.04147 -0.00199 53 5PZ 0.00321 -0.00710 0.01539 -0.03221 -0.01718 54 6PX -0.00367 -0.00904 -0.00813 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0.17596 -0.00939 -0.05836 75 5PZ -0.00390 0.03025 -0.17267 -0.02007 0.01237 76 6PX -0.01397 -0.00015 -0.01280 -0.02170 0.00683 77 6PY -0.04314 0.01287 -0.00538 0.00313 0.00922 78 6PZ -0.00999 -0.00455 -0.01482 0.01543 0.00659 79 7D 0 0.02431 0.05263 0.06637 0.25886 0.17033 80 7D+1 0.40510 0.07280 0.08977 -0.11223 0.04706 81 7D-1 0.47688 -0.10512 -0.10215 0.00169 0.08733 82 7D+2 -0.08566 0.01498 0.00349 -0.13546 0.27797 83 7D-2 0.41052 -0.07153 -0.06426 0.06781 -0.01699 84 8D 0 0.00812 0.01669 0.02175 0.08254 0.05490 85 8D+1 0.12737 0.02288 0.02993 -0.03601 0.01622 86 8D-1 0.15445 -0.03337 -0.03254 -0.00071 0.02921 87 8D+2 -0.02461 0.00490 0.00122 -0.04266 0.08919 88 8D-2 0.13153 -0.02280 -0.02036 0.02333 -0.00448 89 5 Cu 1S -0.00033 0.00389 -0.00031 0.00167 0.00035 90 2S 0.03945 0.04138 -0.03448 -0.04037 -0.01711 91 3S 0.01457 0.13732 -0.05286 0.00139 0.00199 92 4PX 0.00932 0.00436 -0.00279 -0.00398 -0.00745 93 4PY 0.00177 -0.01034 0.00405 0.01037 0.00276 94 4PZ -0.00399 0.00633 -0.00454 -0.00068 -0.00235 95 5PX -0.01841 -0.02661 0.00719 0.00180 0.01917 96 5PY 0.00374 0.04712 -0.00690 -0.01608 0.00197 97 5PZ 0.00734 -0.00419 -0.01154 -0.01325 0.00036 98 6PX 0.01446 -0.00818 0.00552 -0.00848 -0.01753 99 6PY 0.01384 0.00387 -0.00293 0.01794 0.00512 100 6PZ -0.00320 0.02937 -0.02432 0.03006 0.01563 101 7D 0 -0.00827 -0.14464 0.06705 0.14784 0.08794 102 7D+1 -0.09063 0.05647 -0.09247 -0.00306 -0.04643 103 7D-1 -0.04941 -0.05360 0.09846 0.02977 0.00016 104 7D+2 0.07696 -0.07064 0.01706 0.09970 -0.01592 105 7D-2 -0.00939 -0.08708 0.01811 0.16201 0.15756 106 8D 0 -0.00446 -0.04862 0.02254 0.04876 0.02788 107 8D+1 -0.03397 0.01943 -0.03192 0.00102 -0.01629 108 8D-1 -0.01799 -0.01951 0.03277 0.01001 -0.00034 109 8D+2 0.02709 -0.02496 0.00551 0.03509 -0.00447 110 8D-2 -0.00287 -0.03199 0.00484 0.05874 0.05697 111 6 Cu 1S 0.00137 0.00046 -0.00089 0.00001 -0.00153 112 2S 0.05116 0.01043 -0.11174 0.00315 -0.06698 113 3S 0.11726 -0.10471 -0.11636 0.00134 -0.14293 114 4PX -0.00294 0.00258 0.00511 0.01848 0.00439 115 4PY 0.01101 0.00531 0.01727 -0.00318 0.00209 116 4PZ -0.00651 0.00303 0.00261 -0.01314 0.00577 117 5PX 0.02189 -0.01145 -0.04001 -0.03206 -0.02396 118 5PY -0.00599 -0.00382 -0.03193 0.00553 -0.03156 119 5PZ 0.03213 -0.01583 -0.04819 0.02423 -0.02713 120 6PX 0.01432 0.00098 -0.00225 0.05499 -0.00069 121 6PY 0.02259 0.01690 0.02118 -0.00879 -0.01759 122 6PZ 0.01604 -0.00017 -0.01108 -0.03845 0.00305 123 7D 0 0.03355 0.03071 0.20715 0.27798 -0.01683 124 7D+1 -0.00485 -0.24427 0.20798 -0.10293 0.17742 125 7D-1 -0.15258 -0.07805 -0.19360 0.18870 -0.08965 126 7D+2 0.01168 0.19863 0.12520 -0.22784 -0.17404 127 7D-2 -0.11405 -0.14024 -0.16347 -0.18087 0.01023 128 8D 0 0.01098 0.01103 0.06811 0.09277 -0.00702 129 8D+1 -0.00123 -0.08501 0.06760 -0.03412 0.05925 130 8D-1 -0.05421 -0.02581 -0.06448 0.06436 -0.03210 131 8D+2 0.00231 0.06996 0.04133 -0.07653 -0.06109 132 8D-2 -0.03990 -0.04811 -0.05462 -0.06230 0.00277 133 7 Cu 1S -0.00035 0.00396 -0.00037 -0.00153 0.00032 134 2S 0.03937 0.03979 -0.03240 0.04287 -0.01722 135 3S 0.01401 0.13651 -0.05182 0.00398 0.00212 136 4PX -0.00627 0.00255 -0.00263 -0.00243 0.00067 137 4PY 0.00412 -0.00965 0.00352 -0.00978 0.00164 138 4PZ 0.00700 0.00756 -0.00443 0.00588 -0.00807 139 5PX 0.01322 0.01333 -0.01312 0.01673 -0.00533 140 5PY -0.00100 0.04007 -0.00276 0.01450 0.00543 141 5PZ -0.01517 -0.03256 0.00352 -0.00042 0.01743 142 6PX -0.00475 0.03146 -0.02666 -0.03227 0.02129 143 6PY 0.01669 -0.00172 0.00147 -0.01112 -0.00080 144 6PZ 0.01045 0.00239 -0.00318 0.00013 -0.01098 145 7D 0 0.01469 0.05117 -0.07159 0.02222 -0.10023 146 7D+1 -0.09217 -0.03419 -0.04306 -0.08816 0.05399 147 7D-1 0.00558 -0.10497 0.04841 -0.17703 0.12710 148 7D+2 0.04095 -0.14412 0.10154 -0.13368 0.03080 149 7D-2 -0.07874 0.03714 0.04407 0.07520 -0.06899 150 8D 0 0.00448 0.01734 -0.02447 0.00588 -0.03378 151 8D+1 -0.03472 -0.01131 -0.01537 -0.03115 0.01739 152 8D-1 0.00239 -0.03850 0.01485 -0.06371 0.04651 153 8D+2 0.01353 -0.04895 0.03456 -0.04341 0.00858 154 8D-2 -0.02846 0.01229 0.01480 0.02610 -0.02462 155 8 C 1S -0.01485 0.00160 0.01341 -0.00017 -0.00614 156 2S 0.03040 -0.00226 -0.03640 0.00051 0.01634 157 3S 0.06213 -0.01090 0.00928 -0.00050 0.00444 158 4PX 0.00137 0.00217 0.00534 -0.01316 0.01095 159 4PY 0.05174 -0.00396 -0.04140 0.00278 0.02891 160 4PZ -0.01121 0.00383 0.01868 0.00888 0.00892 161 5PX 0.00479 0.00687 -0.00961 -0.02134 0.01561 162 5PY 0.01788 -0.00742 0.03809 0.00237 0.01825 163 5PZ 0.00245 0.01103 -0.02162 0.01584 0.01828 164 9 O 1S 0.00246 -0.00044 -0.00254 0.00005 0.00076 165 2S -0.00871 0.00253 0.00584 -0.00003 -0.00355 166 3S -0.00318 -0.00261 0.01681 -0.00067 0.00500 167 4PX -0.00662 -0.00787 -0.00577 0.03130 -0.02793 168 4PY -0.04374 0.00397 0.02738 -0.00577 -0.03064 169 4PZ 0.00230 -0.01143 -0.01668 -0.02164 -0.03348 170 5PX -0.00585 -0.00493 -0.00109 0.02261 -0.01836 171 5PY -0.01624 -0.00067 0.00327 -0.00390 -0.01547 172 5PZ -0.00401 -0.00628 -0.00363 -0.01582 -0.02317 46 47 48 49 50 O O O O O EIGENVALUES -- -0.29654 -0.29648 -0.29216 -0.28837 -0.28764 1 1 Cu 1S 0.00120 0.00159 -0.00005 0.00012 -0.00265 2 2S 0.02471 0.03146 -0.00057 -0.00388 0.04821 3 3S 0.06309 0.08144 -0.00216 -0.00188 -0.03935 4 4PX -0.00506 0.00810 -0.00352 0.00306 0.00315 5 4PY 0.00336 0.00202 0.00049 -0.00076 0.00389 6 4PZ 0.00746 -0.00071 0.00239 -0.00268 0.00348 7 5PX 0.00483 -0.02002 0.00553 0.00631 0.00541 8 5PY -0.01418 -0.01417 -0.00053 -0.00035 -0.00664 9 5PZ -0.01749 -0.00423 -0.00343 -0.00354 0.00908 10 6PX -0.00569 -0.00711 -0.00790 -0.00563 0.01160 11 6PY 0.01783 0.02307 0.00075 0.00158 -0.00605 12 6PZ -0.01153 -0.01553 0.00629 0.00282 0.01839 13 7D 0 0.26567 -0.12612 0.13848 -0.24119 -0.02396 14 7D+1 -0.09623 0.05742 -0.04859 0.09923 -0.10025 15 7D-1 0.16666 0.05437 0.07211 -0.07043 0.12783 16 7D+2 -0.05701 0.24042 -0.10768 0.14803 0.08724 17 7D-2 -0.01555 0.07819 -0.06820 0.02696 0.05342 18 8D 0 0.08878 -0.04406 0.04636 -0.07997 -0.00937 19 8D+1 -0.03384 0.01781 -0.01604 0.03309 -0.03634 20 8D-1 0.05823 0.02094 0.02522 -0.02317 0.04477 21 8D+2 -0.01957 0.08090 -0.03654 0.04896 0.02940 22 8D-2 -0.00381 0.02805 -0.02444 0.00857 0.01891 23 2 Cu 1S 0.00084 -0.00279 -0.00069 0.00039 -0.00336 24 2S 0.02210 -0.04089 -0.01990 -0.04081 0.07880 25 3S 0.05238 -0.13136 -0.04321 0.02706 0.06184 26 4PX -0.00025 -0.00070 0.00048 0.00548 0.00465 27 4PY -0.00423 -0.00147 -0.00895 -0.00562 0.00357 28 4PZ -0.00574 0.00096 -0.00606 0.00448 -0.00421 29 5PX -0.00544 0.01999 0.00504 -0.01440 -0.00953 30 5PY -0.00056 0.00310 0.03494 0.00041 -0.01169 31 5PZ 0.00894 -0.01324 0.02346 -0.02122 0.01168 32 6PX -0.00100 0.00637 0.00259 0.01949 -0.01134 33 6PY -0.07342 0.01409 -0.01731 -0.01574 0.00178 34 6PZ -0.04801 -0.03241 -0.02868 0.02086 -0.00065 35 7D 0 0.41638 0.10361 0.21528 -0.15368 -0.00800 36 7D+1 0.25173 -0.00125 0.04448 -0.00598 0.30643 37 7D-1 0.07333 -0.09174 -0.03290 -0.16822 -0.13108 38 7D+2 0.20979 0.09232 0.16925 0.28340 0.02942 39 7D-2 0.14889 0.13957 0.14328 0.25070 -0.27481 40 8D 0 0.13944 0.03502 0.06986 -0.05006 -0.00365 41 8D+1 0.08478 -0.00046 0.01408 -0.00121 0.10318 42 8D-1 0.02471 -0.03178 -0.01096 -0.05437 -0.04422 43 8D+2 0.07024 0.03097 0.05513 0.09117 0.01150 44 8D-2 0.04981 0.04777 0.04668 0.08138 -0.09285 45 3 Cu 1S -0.00290 0.00013 0.00076 -0.00020 -0.00340 46 2S -0.04438 0.01192 0.02089 0.03579 0.08023 47 3S -0.13866 0.01937 0.04673 -0.02957 0.05727 48 4PX 0.00241 -0.00543 0.00758 -0.00068 -0.00461 49 4PY -0.00062 -0.00344 0.00781 0.00475 0.00511 50 4PZ 0.00026 -0.00160 0.00044 -0.00719 0.00191 51 5PX -0.02044 0.00444 -0.02663 0.01473 0.01184 52 5PY 0.00853 -0.00148 -0.03187 0.00084 -0.01405 53 5PZ 0.01330 0.00143 -0.00837 0.02011 -0.00179 54 6PX -0.01221 -0.06283 0.03309 -0.00990 0.00273 55 6PY 0.03566 -0.05726 0.01293 0.01344 0.00074 56 6PZ -0.00460 -0.00852 0.00553 -0.02620 -0.01233 57 7D 0 -0.02107 0.11851 -0.05257 -0.22125 0.25446 58 7D+1 -0.03145 0.39591 -0.15535 0.06852 0.16174 59 7D-1 0.05985 0.19039 -0.15503 -0.25288 -0.30410 60 7D+2 -0.03066 0.31842 -0.18339 0.09850 -0.03511 61 7D-2 -0.13988 -0.09891 0.15524 0.24623 0.04357 62 8D 0 -0.00731 0.03989 -0.01704 -0.07200 0.08749 63 8D+1 -0.01019 0.13310 -0.05030 0.02157 0.05335 64 8D-1 0.02059 0.06389 -0.05057 -0.08174 -0.10196 65 8D+2 -0.01059 0.10653 -0.05964 0.03274 -0.01174 66 8D-2 -0.04823 -0.03321 0.05091 0.07934 0.01431 67 4 Cu 1S -0.00016 -0.00020 0.00000 -0.00003 0.00120 68 2S 0.00284 0.00371 -0.00007 -0.00029 -0.00055 69 3S -0.00038 -0.00085 -0.00014 -0.00024 -0.05458 70 4PX -0.00153 -0.00067 0.00233 0.00760 0.00319 71 4PY -0.00127 -0.00164 -0.00035 -0.00040 -0.01889 72 4PZ -0.00075 -0.00178 -0.00166 -0.00541 0.00892 73 5PX 0.00641 -0.00136 -0.00476 -0.00722 0.01975 74 5PY 0.00166 0.00303 0.00066 -0.00024 0.01519 75 5PZ -0.00090 0.00562 0.00349 0.00486 0.02236 76 6PX -0.03113 0.05132 0.01781 0.02209 -0.01139 77 6PY 0.03143 0.02800 -0.00362 -0.00366 0.04939 78 6PZ 0.04283 -0.00825 -0.01329 -0.01367 -0.02917 79 7D 0 0.20950 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4 4PX 0.00651 0.00283 0.00007 0.00275 0.00057 5 4PY 0.00423 -0.00055 0.00706 -0.00042 0.00028 6 4PZ 0.00808 -0.00197 -0.00155 -0.00197 0.00055 7 5PX -0.02286 0.01162 0.00990 -0.00989 -0.00024 8 5PY -0.01536 -0.00206 0.02277 0.00178 -0.01220 9 5PZ -0.02974 -0.00816 0.00854 0.00677 0.00272 10 6PX 0.00531 0.00732 0.01064 0.01135 -0.00249 11 6PY -0.02033 -0.00168 0.01676 -0.00195 0.00487 12 6PZ 0.01229 -0.00490 0.01167 -0.00777 -0.00527 13 7D 0 0.05978 0.00313 -0.15645 -0.00338 -0.03445 14 7D+1 -0.01619 -0.03172 0.00154 0.01274 -0.27723 15 7D-1 0.02343 -0.19507 0.10187 0.02340 0.17463 16 7D+2 0.14224 0.08799 -0.22268 -0.01716 0.18744 17 7D-2 -0.02473 0.27069 0.15021 -0.04114 0.03701 18 8D 0 0.02011 0.00124 -0.05166 -0.00145 -0.01211 19 8D+1 -0.00593 -0.01072 0.00085 0.00435 -0.09371 20 8D-1 0.00729 -0.06510 0.03481 0.00729 0.05787 21 8D+2 0.04787 0.02925 -0.07339 -0.00533 0.06224 22 8D-2 -0.00885 0.09043 0.05045 -0.01307 0.01205 23 2 Cu 1S 0.00048 -0.00069 0.00078 0.00124 -0.00024 24 2S 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0.05004 0.03946 -0.04126 0.08080 -0.05604 45 3 Cu 1S 0.00050 0.00062 0.00083 -0.00122 -0.00027 46 2S 0.01866 0.04283 0.01302 0.00832 0.00315 47 3S 0.00406 0.14333 0.06689 0.01254 0.03733 48 4PX -0.00689 -0.00633 0.00187 -0.00122 -0.00126 49 4PY -0.00152 0.00573 0.00594 0.00587 0.00390 50 4PZ -0.00613 -0.00105 0.00039 -0.00590 -0.00458 51 5PX -0.00059 0.04344 -0.01411 0.01086 0.00827 52 5PY -0.01267 -0.02484 -0.03156 -0.03035 -0.02605 53 5PZ 0.01141 -0.01509 -0.01959 0.03301 0.02272 54 6PX -0.00142 0.01114 0.02059 0.00941 0.00275 55 6PY 0.00970 -0.02134 -0.00169 -0.00485 -0.01449 56 6PZ -0.01486 -0.00467 -0.00050 0.01999 0.01461 57 7D 0 -0.04789 0.17354 0.01877 0.45574 0.26273 58 7D+1 0.30685 0.17292 0.00670 -0.08334 -0.06450 59 7D-1 0.09169 -0.23667 -0.16392 -0.04664 -0.06492 60 7D+2 -0.02695 -0.17909 0.07327 0.03511 0.13429 61 7D-2 0.12809 -0.13544 -0.12608 0.25301 0.09026 62 8D 0 -0.01566 0.05537 0.00499 0.14666 0.08459 63 8D+1 0.09898 0.05642 0.00220 -0.02730 -0.01958 64 8D-1 0.03081 -0.07739 -0.05303 -0.01534 -0.01975 65 8D+2 -0.01033 -0.05831 0.02260 0.01196 0.04259 66 8D-2 0.04147 -0.04758 -0.04186 0.08256 0.02924 67 4 Cu 1S -0.00028 0.00005 -0.00081 -0.00003 0.00021 68 2S 0.00392 -0.00067 0.01163 0.00049 -0.00526 69 3S 0.02446 -0.00057 0.01095 -0.00035 0.00503 70 4PX -0.00470 0.02736 -0.01476 -0.00806 0.00261 71 4PY -0.00590 -0.00388 -0.02289 0.00104 0.00489 72 4PZ -0.00606 -0.01862 -0.01716 0.00546 0.00297 73 5PX -0.00554 -0.12518 0.06392 0.05502 -0.02513 74 5PY 0.00940 0.01663 0.13495 -0.00706 -0.04173 75 5PZ -0.00941 0.08691 0.06720 -0.03710 -0.02945 76 6PX -0.01793 -0.01826 0.00653 -0.01674 -0.00234 77 6PY -0.04295 0.00281 -0.00655 0.00225 -0.00477 78 6PZ -0.01817 0.01151 0.01046 0.01164 -0.00201 79 7D 0 0.04457 0.17106 0.15617 -0.10554 -0.04210 80 7D+1 0.10607 -0.09434 0.18828 0.05146 -0.03086 81 7D-1 0.06208 -0.11349 0.10384 0.02533 -0.02126 82 7D+2 0.02224 -0.04636 0.15814 0.04865 -0.05191 83 7D-2 0.05495 0.19783 0.05145 -0.06163 -0.00371 84 8D 0 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7D+2 -0.25701 -0.00696 -0.11427 -0.08565 -0.08753 105 7D-2 0.08193 0.01833 -0.03494 -0.18867 -0.13875 106 8D 0 0.04104 -0.04332 0.00486 0.05622 0.01890 107 8D+1 -0.01287 -0.00767 0.10136 0.00526 -0.01930 108 8D-1 0.01383 -0.08011 0.01021 -0.01349 -0.02373 109 8D+2 -0.08547 -0.00275 -0.03812 -0.02876 -0.03014 110 8D-2 0.02682 0.00624 -0.01196 -0.06477 -0.04717 111 6 Cu 1S 0.00026 -0.00002 -0.00093 -0.00005 0.00105 112 2S -0.07592 0.00167 -0.04865 0.00062 -0.02017 113 3S -0.02697 0.00386 -0.18771 -0.00055 -0.03931 114 4PX 0.00401 -0.00070 0.00513 0.00224 0.00261 115 4PY -0.00895 0.00011 -0.00109 -0.00019 -0.00799 116 4PZ 0.00704 0.00020 0.00769 -0.00175 0.00548 117 5PX -0.01355 0.01625 -0.03187 -0.00409 -0.01776 118 5PY 0.01986 -0.00221 -0.01668 -0.00014 0.03763 119 5PZ -0.02320 -0.00981 -0.04248 0.00367 -0.03385 120 6PX 0.00334 -0.00299 -0.01863 0.01309 -0.00840 121 6PY -0.03544 0.00050 -0.00474 -0.00262 0.02673 122 6PZ 0.01206 0.00269 -0.02513 -0.00895 -0.01834 123 7D 0 -0.00860 0.13006 -0.03165 0.08005 0.34164 124 7D+1 0.30690 -0.04754 -0.22950 -0.04738 0.21831 125 7D-1 0.23687 0.03402 0.31296 -0.00173 0.03216 126 7D+2 -0.14201 -0.09430 0.19511 -0.05890 0.41931 127 7D-2 0.26166 -0.02802 0.13883 0.02763 -0.08614 128 8D 0 -0.00256 0.04107 -0.01155 0.02540 0.11049 129 8D+1 0.09958 -0.01484 -0.07839 -0.01528 0.07098 130 8D-1 0.07656 0.01098 0.10298 -0.00142 0.01070 131 8D+2 -0.04564 -0.03007 0.06428 -0.01845 0.13549 132 8D-2 0.08458 -0.00939 0.04535 0.00998 -0.02750 133 7 Cu 1S 0.00050 -0.00329 0.00234 0.00014 -0.00011 134 2S -0.05316 0.03290 -0.01355 0.01814 -0.01054 135 3S -0.06136 -0.10630 0.07255 0.02780 -0.02430 136 4PX 0.00375 -0.00703 0.00385 -0.00110 0.00104 137 4PY 0.00122 -0.00019 -0.00276 -0.00283 -0.00200 138 4PZ -0.00686 -0.00215 -0.00128 0.00022 -0.00360 139 5PX -0.01603 -0.01625 0.01085 0.01439 -0.01119 140 5PY -0.01471 -0.01437 -0.00342 0.00468 0.00519 141 5PZ 0.00783 0.00283 -0.01536 0.00553 0.00767 142 6PX -0.00931 -0.02343 0.01042 0.00121 -0.00401 143 6PY 0.01538 -0.01101 0.00742 0.00575 -0.00978 144 6PZ -0.00312 0.00339 -0.01425 -0.01378 -0.00249 145 7D 0 -0.26912 -0.04094 0.08236 0.06278 -0.07569 146 7D+1 0.12462 0.05878 0.25651 -0.08488 -0.02323 147 7D-1 -0.00305 0.06518 -0.07069 0.22685 -0.15992 148 7D+2 -0.04100 0.17061 -0.09530 -0.11571 0.02367 149 7D-2 0.04933 0.18415 0.14234 -0.00489 -0.02993 150 8D 0 -0.08960 -0.01355 0.02788 0.02109 -0.02557 151 8D+1 0.04112 0.01845 0.08646 -0.02742 -0.00760 152 8D-1 -0.00147 0.02241 -0.02454 0.07745 -0.05423 153 8D+2 -0.01350 0.05718 -0.03194 -0.03913 0.00754 154 8D-2 0.01607 0.06249 0.04611 -0.00189 -0.00916 155 8 C 1S -0.00284 0.00031 -0.00412 -0.00006 0.00030 156 2S 0.00448 -0.00044 0.00568 0.00016 -0.00108 157 3S 0.01898 -0.00266 0.03926 0.00018 -0.00128 158 4PX 0.00576 -0.03288 0.02102 0.01375 -0.00555 159 4PY 0.01230 0.00431 0.02674 -0.00187 -0.00532 160 4PZ 0.00596 0.02207 0.02515 -0.00899 -0.00724 161 5PX 0.00041 0.00411 -0.00419 0.00682 -0.00088 162 5PY 0.01079 -0.00097 0.00319 -0.00083 -0.00122 163 5PZ -0.00168 -0.00240 -0.00691 -0.00464 -0.00114 164 9 O 1S 0.00026 -0.00004 0.00040 0.00001 0.00002 165 2S -0.00095 0.00003 0.00019 -0.00004 0.00019 166 3S 0.00082 0.00044 -0.00599 0.00014 -0.00109 167 4PX -0.01161 0.05631 -0.03782 -0.02362 0.00924 168 4PY -0.01204 -0.00848 -0.02976 0.00355 0.00666 169 4PZ -0.01508 -0.03739 -0.04980 0.01541 0.01270 170 5PX -0.00586 0.02686 -0.01803 -0.01411 0.00530 171 5PY -0.00607 -0.00393 -0.01628 0.00217 0.00373 172 5PZ -0.00767 -0.01791 -0.02324 0.00923 0.00736 56 57 58 59 60 O O O O O EIGENVALUES -- -0.27016 -0.26758 -0.26706 -0.26559 -0.26290 1 1 Cu 1S -0.00003 -0.00003 -0.00175 -0.00160 -0.00029 2 2S 0.00039 0.00042 0.02751 0.05521 -0.02629 3 3S -0.00148 -0.00127 -0.07721 0.01372 -0.06530 4 4PX -0.00296 -0.00017 0.00087 0.00465 -0.00029 5 4PY 0.00048 0.00009 0.00362 0.00514 -0.00353 6 4PZ 0.00209 0.00011 0.00039 0.00543 -0.00450 7 5PX -0.00554 0.01681 0.01521 -0.01098 -0.00685 8 5PY 0.00092 -0.00271 -0.00517 -0.01731 0.02269 9 5PZ 0.00437 -0.01098 0.02360 -0.01134 0.02972 10 6PX -0.01347 -0.01093 -0.00542 -0.00948 -0.01964 11 6PY 0.00230 0.00162 0.00516 -0.01010 0.01051 12 6PZ 0.00953 0.00757 -0.00993 -0.01022 0.02588 13 7D 0 0.22009 -0.23316 0.21099 0.02072 0.02242 14 7D+1 -0.12669 0.13112 0.35101 -0.36388 0.04768 15 7D-1 -0.22206 0.08356 -0.27902 -0.10460 0.44509 16 7D+2 -0.01663 0.08372 0.01301 0.24623 -0.07578 17 7D-2 0.36611 -0.19627 -0.15981 -0.20243 -0.17325 18 8D 0 0.07316 -0.07747 0.07048 0.00751 0.00790 19 8D+1 -0.04219 0.04355 0.11517 -0.11910 0.01608 20 8D-1 -0.07440 0.02791 -0.09288 -0.03488 0.14467 21 8D+2 -0.00526 0.02778 0.00587 0.08160 -0.02406 22 8D-2 0.12251 -0.06544 -0.05387 -0.06702 -0.05566 23 2 Cu 1S -0.00001 -0.00214 -0.00121 0.00004 0.00040 24 2S -0.00073 -0.00392 -0.00528 0.02075 -0.02062 25 3S -0.01370 -0.09434 -0.03646 0.00198 -0.00183 26 4PX -0.00106 0.00434 0.00603 -0.01080 -0.01030 27 4PY -0.01032 0.00617 -0.01002 -0.00158 0.00406 28 4PZ -0.00936 0.00504 -0.01022 -0.00525 -0.00377 29 5PX 0.00520 -0.00508 -0.01817 0.04034 0.05024 30 5PY 0.06295 -0.01867 0.04814 0.00396 -0.01904 31 5PZ 0.05522 -0.02925 0.04266 0.02441 0.02719 32 6PX 0.00487 0.01571 0.00468 0.01142 0.03459 33 6PY 0.04934 0.00306 0.00336 -0.00313 -0.00510 34 6PZ 0.04726 -0.00782 0.00361 -0.00280 0.01361 35 7D 0 -0.13130 -0.01576 -0.02778 0.04141 -0.12144 36 7D+1 0.13631 0.10056 0.13508 -0.10559 -0.23151 37 7D-1 -0.00166 0.03034 -0.00424 0.01031 0.19885 38 7D+2 -0.05831 0.04077 0.05361 -0.04014 0.07150 39 7D-2 0.15087 -0.10435 -0.08675 0.08389 0.23720 40 8D 0 -0.04308 -0.00397 -0.01050 0.01256 -0.03946 41 8D+1 0.04475 0.03308 0.04254 -0.03288 -0.07374 42 8D-1 -0.00023 0.01083 -0.00076 0.00186 0.06180 43 8D+2 -0.01928 0.01340 0.01571 -0.01259 0.02444 44 8D-2 0.04932 -0.03323 -0.02811 0.02667 0.07365 45 3 Cu 1S 0.00001 0.00207 -0.00132 0.00005 0.00134 46 2S 0.00094 0.00367 -0.00503 0.02013 -0.04416 47 3S 0.01480 0.09162 -0.04054 0.00358 0.05981 48 4PX 0.01011 -0.00519 -0.01323 -0.00184 -0.00096 49 4PY 0.00877 -0.00653 -0.00672 -0.00306 -0.00061 50 4PZ 0.00279 -0.00453 0.00354 -0.01142 0.00529 51 5PX -0.06092 0.03186 0.05405 0.01120 0.01574 52 5PY -0.05388 0.01722 0.03626 0.00873 -0.01030 53 5PZ -0.01524 0.01118 -0.00877 0.04414 -0.02643 54 6PX -0.05203 0.01173 0.00244 -0.00647 0.00920 55 6PY -0.04230 -0.00674 0.00420 -0.00059 -0.00746 56 6PZ -0.01424 -0.01148 0.00636 0.00922 -0.02424 57 7D 0 -0.04132 -0.10632 0.15257 -0.11846 0.08984 58 7D+1 -0.07753 -0.02542 0.05303 -0.02129 0.13458 59 7D-1 -0.11551 0.06727 -0.06670 0.05991 -0.16301 60 7D+2 0.19923 -0.02097 -0.01120 0.02053 -0.00229 61 7D-2 -0.03439 -0.06922 0.04673 -0.03594 0.05346 62 8D 0 -0.01349 -0.03440 0.04797 -0.03686 0.02812 63 8D+1 -0.02548 -0.00935 0.01590 -0.00652 0.04416 64 8D-1 -0.03784 0.02099 -0.02170 0.01865 -0.05101 65 8D+2 0.06529 -0.00777 -0.00492 0.00552 -0.00131 66 8D-2 -0.01167 -0.02289 0.01616 -0.01239 0.01680 67 4 Cu 1S 0.00001 0.00003 0.00076 -0.00114 -0.00037 68 2S 0.00003 -0.00019 -0.00466 0.01251 -0.01560 69 3S 0.00018 0.00165 0.04020 -0.10983 -0.00876 70 4PX -0.00026 0.00104 0.00066 -0.00141 -0.00688 71 4PY 0.00002 -0.00011 0.00014 -0.00211 0.00505 72 4PZ 0.00018 -0.00060 0.00080 -0.00130 -0.00223 73 5PX 0.00059 0.00371 -0.00403 0.02088 0.02910 74 5PY -0.00004 -0.00054 0.01016 -0.01799 0.00335 75 5PZ -0.00040 -0.00323 -0.00717 0.03251 -0.00900 76 6PX -0.00868 0.04984 0.03220 0.01839 0.04511 77 6PY 0.00203 -0.00628 0.06261 0.04397 -0.00374 78 6PZ 0.00672 -0.03428 0.03608 0.01444 -0.02716 79 7D 0 -0.00839 0.12883 -0.06294 -0.02147 0.02873 80 7D+1 0.00281 -0.05430 0.04525 0.01017 -0.04171 81 7D-1 -0.01414 0.01191 -0.00538 0.05885 0.07721 82 7D+2 0.01029 -0.07729 -0.12781 -0.02615 -0.01196 83 7D-2 0.01871 0.01720 0.04250 0.05039 0.01191 84 8D 0 -0.00218 0.03786 -0.01852 -0.00614 0.00792 85 8D+1 0.00071 -0.01605 0.01198 0.00245 -0.01257 86 8D-1 -0.00391 0.00288 -0.00272 0.01668 0.02316 87 8D+2 0.00278 -0.02248 -0.03712 -0.00719 -0.00212 88 8D-2 0.00520 0.00582 0.01134 0.01416 0.00399 89 5 Cu 1S 0.00027 -0.00171 0.00134 -0.00023 -0.00111 90 2S -0.00452 0.03253 -0.03282 0.02624 0.00309 91 3S 0.02120 -0.03705 0.01457 0.05440 -0.03884 92 4PX 0.00244 0.00243 -0.00236 0.00288 0.00234 93 4PY 0.00189 -0.00170 0.00219 -0.00324 0.00002 94 4PZ 0.00064 -0.00323 0.00288 -0.00151 0.00036 95 5PX 0.00075 0.01383 0.01203 -0.01346 -0.01229 96 5PY 0.00903 -0.00727 0.01328 0.01668 -0.00821 97 5PZ 0.00141 0.01204 -0.00844 0.01354 -0.01281 98 6PX 0.01062 -0.01449 -0.00551 -0.01246 -0.02076 99 6PY 0.00999 0.00086 -0.01751 -0.01062 -0.00447 100 6PZ 0.00505 0.00589 -0.00692 0.01727 -0.00967 101 7D 0 0.10611 0.00994 0.15306 -0.10668 -0.05159 102 7D+1 0.30624 0.38706 0.09100 0.22014 0.16902 103 7D-1 0.20624 -0.22726 0.29053 0.11218 0.28752 104 7D+2 0.12692 -0.02073 0.20627 0.15924 0.03132 105 7D-2 -0.03425 -0.27348 -0.11673 0.33176 0.21044 106 8D 0 0.03554 0.00229 0.05162 -0.03477 -0.01818 107 8D+1 0.10248 0.12922 0.03019 0.07223 0.05537 108 8D-1 0.06938 -0.07578 0.09707 0.03696 0.09275 109 8D+2 0.04208 -0.00694 0.06820 0.05224 0.01035 110 8D-2 -0.01124 -0.09010 -0.03884 0.10836 0.06858 111 6 Cu 1S 0.00000 0.00005 0.00225 0.00091 0.00089 112 2S -0.00019 0.00016 -0.00267 0.00961 -0.02358 113 3S -0.00101 0.00193 0.06958 0.03370 0.04119 114 4PX -0.00737 -0.01444 0.00226 0.00285 -0.00092 115 4PY 0.00118 0.00217 -0.00029 0.01000 0.00217 116 4PZ 0.00527 0.01020 0.00240 0.00206 -0.00022 117 5PX 0.05133 0.06696 -0.00496 -0.00530 0.00586 118 5PY -0.00807 -0.00999 0.00345 -0.03195 -0.00833 119 5PZ -0.03657 -0.04707 -0.00367 -0.00117 0.01564 120 6PX 0.05447 0.01327 0.00516 0.00015 -0.00465 121 6PY -0.00850 -0.00188 0.01547 0.00743 0.00312 122 6PZ -0.03848 -0.00894 0.00498 -0.00103 0.00870 123 7D 0 0.14624 0.03630 0.10254 0.10543 -0.06212 124 7D+1 -0.04977 -0.00762 0.08729 0.05377 -0.00632 125 7D-1 0.09201 0.03291 0.08897 0.05119 0.01436 126 7D+2 -0.11572 -0.03149 0.14100 0.15565 0.01348 127 7D-2 -0.08773 -0.03441 0.03244 -0.00566 -0.01722 128 8D 0 0.04816 0.01304 0.03323 0.03377 -0.01927 129 8D+1 -0.01634 -0.00311 0.02827 0.01817 -0.00152 130 8D-1 0.03080 0.00998 0.02909 0.01613 0.00612 131 8D+2 -0.03832 -0.01054 0.04589 0.04909 0.00287 132 8D-2 -0.02958 -0.00984 0.01064 -0.00170 -0.00807 133 7 Cu 1S -0.00025 0.00177 0.00123 -0.00018 0.00095 134 2S 0.00415 -0.03414 -0.03068 0.02530 -0.04241 135 3S -0.01999 0.03694 0.01175 0.05534 -0.02860 136 4PX -0.00016 0.00426 0.00357 -0.00283 0.00521 137 4PY -0.00221 0.00081 0.00123 -0.00231 0.00343 138 4PZ -0.00220 -0.00146 -0.00138 0.00251 -0.00450 139 5PX -0.00278 -0.00586 -0.00876 0.02017 -0.00941 140 5PY -0.00845 0.00671 0.01602 0.01165 -0.01025 141 5PZ -0.00011 -0.01758 0.00708 -0.00975 0.02575 142 6PX -0.00311 -0.01079 -0.00779 0.01783 -0.00729 143 6PY -0.01121 0.00242 -0.01735 -0.01516 -0.00776 144 6PZ -0.01023 0.01149 -0.00616 -0.00318 0.02929 145 7D 0 -0.21537 -0.27179 0.17062 0.18402 -0.04234 146 7D+1 -0.22993 -0.25251 0.07132 0.12490 -0.28848 147 7D-1 -0.05534 0.34925 0.03795 0.37402 -0.15493 148 7D+2 -0.12739 0.12208 0.30272 -0.10714 0.09406 149 7D-2 -0.20116 0.04197 0.22300 0.04210 0.10528 150 8D 0 -0.07171 -0.09080 0.05616 0.06038 -0.01430 151 8D+1 -0.07710 -0.08400 0.02412 0.04101 -0.09421 152 8D-1 -0.01870 0.11548 0.01262 0.12235 -0.05087 153 8D+2 -0.04252 0.04180 0.10109 -0.03478 0.03176 154 8D-2 -0.06768 0.01405 0.07450 0.01405 0.03504 155 8 C 1S 0.00001 0.00008 0.00117 -0.00134 -0.01027 156 2S -0.00002 -0.00005 -0.00185 0.00541 0.02211 157 3S -0.00004 -0.00063 -0.00408 -0.00103 0.05421 158 4PX -0.00040 -0.00702 -0.00498 0.00023 0.00171 159 4PY 0.00006 0.00080 -0.00729 0.00498 0.02943 160 4PZ 0.00031 0.00457 -0.00565 -0.00112 -0.00837 161 5PX 0.00020 -0.00024 -0.00318 0.00583 -0.00414 162 5PY -0.00008 0.00018 0.00025 -0.01534 0.00833 163 5PZ -0.00014 0.00006 -0.00479 0.01185 0.00360 164 9 O 1S 0.00000 -0.00005 -0.00071 0.00054 0.00150 165 2S 0.00000 0.00007 0.00117 -0.00031 -0.00460 166 3S 0.00001 0.00045 0.00558 -0.00870 -0.00563 167 4PX 0.00116 0.00353 0.00422 -0.00117 -0.00763 168 4PY -0.00018 -0.00031 0.00575 -0.00516 -0.02053 169 4PZ -0.00081 -0.00225 0.00485 0.00000 0.00131 170 5PX 0.00030 0.00098 0.00247 -0.00231 -0.00377 171 5PY -0.00006 -0.00008 0.00091 -0.00309 -0.00951 172 5PZ -0.00025 -0.00051 0.00329 -0.00230 -0.00144 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26285 -0.26170 -0.26035 -0.26027 -0.25935 1 1 Cu 1S -0.00052 0.00096 -0.00047 -0.00004 0.00037 2 2S -0.04552 -0.04076 -0.05481 -0.00189 -0.01033 3 3S -0.11257 -0.04054 -0.10500 -0.00441 -0.07186 4 4PX -0.00568 -0.00526 -0.00543 -0.00139 -0.00233 5 4PY -0.00531 -0.00495 -0.00177 0.00008 -0.00560 6 4PZ -0.00418 -0.00648 -0.00744 0.00061 -0.00203 7 5PX 0.03568 0.02133 0.02803 0.00568 0.01647 8 5PY 0.03155 0.01202 -0.01159 -0.00059 0.03697 9 5PZ 0.01835 0.02838 0.04276 -0.00188 0.01509 10 6PX 0.02627 0.01535 0.01060 0.00157 -0.00177 11 6PY 0.00844 -0.00006 0.00779 0.00020 0.01958 12 6PZ 0.00327 0.02275 0.01327 -0.00037 -0.00712 13 7D 0 -0.02673 0.07419 0.23770 0.05662 -0.02436 14 7D+1 0.02822 0.35431 -0.00330 -0.03711 0.13833 15 7D-1 0.23812 0.17624 0.25102 -0.06898 0.17260 16 7D+2 0.14287 -0.06384 0.47295 0.02473 -0.08083 17 7D-2 0.42568 0.17811 0.02419 0.12887 0.16346 18 8D 0 -0.00788 0.02388 0.07852 0.01909 -0.00740 19 8D+1 0.01043 0.11623 -0.00035 -0.01221 0.04545 20 8D-1 0.07818 0.05849 0.08208 -0.02180 0.05634 21 8D+2 0.04723 -0.02148 0.15546 0.00751 -0.02576 22 8D-2 0.13835 0.05912 0.00780 0.04116 0.05315 23 2 Cu 1S 0.00183 0.00063 0.00137 -0.00014 -0.00042 24 2S -0.06348 -0.01422 0.00396 0.04016 -0.00128 25 3S 0.06920 0.02470 0.07356 0.02146 -0.02510 26 4PX -0.00019 0.00184 0.00174 0.00162 -0.00068 27 4PY 0.00054 0.00079 -0.00500 -0.00246 0.00038 28 4PZ -0.00097 0.00129 -0.00109 0.00299 -0.00154 29 5PX -0.00719 -0.01258 -0.00789 -0.01052 0.00766 30 5PY -0.01476 0.00466 0.02298 0.02302 0.00883 31 5PZ 0.02380 0.01001 0.02372 -0.01016 0.01606 32 6PX -0.01131 -0.01611 -0.00234 0.00042 0.00522 33 6PY -0.00508 0.00836 -0.00851 0.00215 -0.00564 34 6PZ 0.00922 0.00303 0.00682 -0.00277 -0.00021 35 7D 0 -0.01388 -0.09101 -0.16714 -0.00313 -0.13119 36 7D+1 0.06445 0.14315 -0.08910 0.09309 0.04316 37 7D-1 0.08205 -0.02466 -0.13055 -0.26790 0.10915 38 7D+2 -0.00701 -0.06935 -0.12828 -0.15343 -0.00376 39 7D-2 -0.03078 -0.03834 -0.05576 0.06921 0.11654 40 8D 0 -0.00438 -0.02895 -0.05357 -0.00071 -0.04183 41 8D+1 0.02130 0.04262 -0.02828 0.02959 0.01378 42 8D-1 0.02507 -0.00813 -0.04263 -0.08473 0.03468 43 8D+2 -0.00198 -0.02250 -0.04049 -0.04938 -0.00071 44 8D-2 -0.00929 -0.01417 -0.01812 0.02107 0.03759 45 3 Cu 1S 0.00126 0.00064 0.00144 0.00026 -0.00039 46 2S -0.04831 -0.01517 0.00650 -0.04136 -0.00119 47 3S 0.03379 0.02546 0.07885 -0.01595 -0.02398 48 4PX 0.00022 0.00066 -0.00229 -0.00197 -0.00086 49 4PY 0.00229 0.00093 -0.00449 0.00218 0.00058 50 4PZ -0.01028 0.00222 0.00225 -0.00295 -0.00118 51 5PX 0.01575 0.01471 0.02861 0.00360 0.01321 52 5PY -0.01948 0.00040 0.01795 -0.02099 0.00705 53 5PZ 0.05296 -0.00969 -0.00368 0.01727 0.01149 54 6PX 0.00596 0.00978 0.00595 0.00269 -0.00265 55 6PY -0.00381 0.00435 -0.00978 -0.00333 -0.00450 56 6PZ 0.02904 -0.01616 0.00145 0.00162 0.00626 57 7D 0 -0.08140 0.07617 -0.06959 0.04438 0.02321 58 7D+1 -0.17180 0.07013 -0.11722 -0.15225 -0.02286 59 7D-1 0.27738 -0.07265 -0.12216 0.08934 0.14891 60 7D+2 0.00487 -0.13380 -0.19654 0.19645 -0.09504 61 7D-2 0.10328 0.06322 -0.06862 0.19051 0.10106 62 8D 0 -0.02395 0.02272 -0.02157 0.01456 0.00772 63 8D+1 -0.05547 0.01986 -0.03756 -0.04846 -0.00732 64 8D-1 0.08699 -0.02485 -0.03955 0.02923 0.04795 65 8D+2 0.00151 -0.04161 -0.06291 0.06211 -0.03021 66 8D-2 0.03147 0.01984 -0.02268 0.05977 0.03184 67 4 Cu 1S -0.00072 -0.00043 -0.00027 -0.00002 0.00041 68 2S -0.02677 -0.00072 0.00097 -0.00026 0.00544 69 3S -0.01901 -0.02522 0.00863 0.00084 -0.00279 70 4PX -0.00254 0.00226 0.00874 -0.00199 0.00206 71 4PY 0.00748 0.00561 0.01360 0.00079 -0.00082 72 4PZ -0.01043 0.00222 0.00990 0.00168 0.00325 73 5PX -0.00189 -0.00411 -0.03710 -0.01802 0.00833 74 5PY 0.01204 -0.02269 -0.06315 0.00107 0.01637 75 5PZ 0.02235 -0.00166 -0.04265 0.01076 0.00804 76 6PX -0.02071 -0.01775 0.00756 -0.01873 0.02137 77 6PY 0.00755 -0.03172 0.01329 0.00344 0.03749 78 6PZ 0.02137 -0.01980 0.00696 0.01368 0.02302 79 7D 0 -0.04189 0.01038 -0.00123 0.02770 0.00023 80 7D+1 -0.04114 -0.05422 0.16129 -0.00207 0.01805 81 7D-1 0.08633 -0.00164 0.06060 0.04014 -0.03632 82 7D+2 0.05098 0.05116 -0.08463 -0.03335 -0.02022 83 7D-2 0.06653 -0.02472 0.09386 -0.03967 -0.01547 84 8D 0 -0.01168 0.00222 -0.00138 0.00733 -0.00072 85 8D+1 -0.01321 -0.01619 0.04467 -0.00011 0.00316 86 8D-1 0.02691 -0.00052 0.01697 0.01334 -0.01210 87 8D+2 0.01624 0.01388 -0.02501 -0.01002 -0.00630 88 8D-2 0.01980 -0.00696 0.02676 -0.01403 -0.00571 89 5 Cu 1S 0.00038 -0.00103 0.00000 -0.00057 0.00048 90 2S -0.04663 0.02585 0.02608 0.03194 0.02044 91 3S -0.05632 0.02687 0.03714 0.08543 0.06954 92 4PX -0.00457 0.00161 0.00377 0.00415 0.00465 93 4PY 0.00569 -0.00524 -0.00252 -0.00545 -0.00116 94 4PZ 0.00340 -0.00341 -0.00012 -0.00708 -0.00440 95 5PX 0.02212 0.00309 -0.01473 -0.02297 -0.02705 96 5PY -0.02210 0.02909 0.01582 0.02622 0.00659 97 5PZ -0.00560 0.01283 -0.01248 0.04002 0.02695 98 6PX 0.02074 0.01215 -0.01261 -0.00540 -0.01524 99 6PY -0.01713 0.02603 -0.00132 0.00763 -0.00563 100 6PZ 0.00006 0.00823 -0.00091 0.01457 0.00908 101 7D 0 -0.14068 -0.11015 0.28207 -0.10547 0.11652 102 7D+1 -0.17246 -0.06398 0.01912 0.12071 0.39600 103 7D-1 0.26648 -0.22531 -0.07077 -0.32776 -0.07873 104 7D+2 0.04278 0.19135 0.00733 0.04147 -0.04603 105 7D-2 -0.15091 0.27102 -0.02670 0.32014 0.01695 106 8D 0 -0.04584 -0.03631 0.09302 -0.03394 0.03856 107 8D+1 -0.05661 -0.01980 0.00730 0.03997 0.12781 108 8D-1 0.08735 -0.07367 -0.02265 -0.10722 -0.02618 109 8D+2 0.01391 0.06231 0.00276 0.01380 -0.01386 110 8D-2 -0.05008 0.08847 -0.00859 0.10531 0.00623 111 6 Cu 1S 0.00154 -0.00057 -0.00274 -0.00005 -0.00045 112 2S -0.03985 0.03251 -0.00600 -0.00122 0.04968 113 3S 0.07082 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133 7 Cu 1S -0.00080 -0.00099 -0.00004 0.00056 0.00045 134 2S -0.01857 0.02468 0.02622 -0.03199 0.02008 135 3S -0.05738 0.02599 0.03906 -0.08580 0.06756 136 4PX 0.00216 -0.00449 -0.00219 0.00909 -0.00573 137 4PY 0.00220 -0.00417 -0.00161 0.00351 0.00050 138 4PZ 0.00018 0.00089 0.00383 -0.00200 0.00293 139 5PX -0.01469 0.01603 -0.00096 -0.05087 0.03449 140 5PY -0.01434 0.02678 0.01371 -0.01508 -0.00333 141 5PZ -0.00245 0.00417 -0.01995 0.01009 -0.01638 142 6PX -0.00677 0.00873 0.00352 -0.01702 0.01183 143 6PY -0.01195 0.02649 -0.00394 -0.00521 -0.01009 144 6PZ -0.00807 0.01144 -0.01170 0.00046 -0.01056 145 7D 0 0.05176 0.09387 -0.05142 -0.09160 0.15766 146 7D+1 -0.03010 -0.09281 0.16902 -0.11009 0.38642 147 7D-1 0.26531 0.21945 -0.05779 -0.17943 -0.05739 148 7D+2 0.00706 -0.10679 0.16260 0.29135 -0.07482 149 7D-2 0.31634 -0.30586 -0.12164 0.33700 0.01511 150 8D 0 0.01752 0.03124 -0.01628 -0.03006 0.05121 151 8D+1 -0.01050 -0.02963 0.05647 -0.03672 0.12524 152 8D-1 0.08603 0.07151 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-0.00361 0.00217 0.00950 0.00463 0.00466 66 67 68 69 70 O O O O O EIGENVALUES -- -0.25868 -0.25798 -0.25587 -0.25287 -0.25258 1 1 Cu 1S 0.00001 -0.00001 0.00019 0.00000 -0.00027 2 2S 0.00101 0.00006 0.02975 -0.00032 0.01481 3 3S 0.00265 -0.00021 0.02731 -0.00018 0.01524 4 4PX -0.00088 -0.00003 0.00449 0.00645 0.00387 5 4PY 0.00018 0.00007 -0.00592 -0.00093 -0.00344 6 4PZ 0.00087 -0.00002 0.00764 -0.00470 0.00607 7 5PX 0.00093 0.00045 -0.01505 -0.03689 -0.01212 8 5PY -0.00025 -0.00044 0.03265 0.00528 0.01622 9 5PZ -0.00214 -0.00012 -0.02824 0.02630 -0.01972 10 6PX 0.01021 -0.01056 -0.00567 -0.00165 -0.01005 11 6PY -0.00185 0.00161 0.01121 0.00003 0.01078 12 6PZ -0.00724 0.00774 -0.01041 0.00157 -0.01644 13 7D 0 0.04727 -0.03130 -0.22057 0.38266 -0.13682 14 7D+1 -0.01682 0.03884 -0.14052 -0.15633 -0.25624 15 7D-1 0.05089 0.15726 0.02574 0.04211 0.08346 16 7D+2 -0.05988 -0.04798 -0.26533 -0.21444 -0.03676 17 7D-2 -0.06259 -0.22925 0.08589 0.04066 0.04118 18 8D 0 0.01698 -0.00832 -0.07274 0.12710 -0.04507 19 8D+1 -0.00616 0.01198 -0.04617 -0.05180 -0.08373 20 8D-1 0.01683 0.05209 0.00766 0.01487 0.02660 21 8D+2 -0.02051 -0.01696 -0.08785 -0.07158 -0.01285 22 8D-2 -0.02028 -0.07535 0.02783 0.01232 0.01322 23 2 Cu 1S -0.00191 0.00083 -0.00243 0.00198 -0.00114 24 2S -0.00383 -0.00983 0.00896 0.02526 -0.01036 25 3S -0.09864 0.03147 -0.07317 0.09930 -0.04828 26 4PX -0.00228 0.00054 -0.00026 -0.01108 0.00710 27 4PY -0.00361 -0.00840 0.00203 -0.00087 -0.00545 28 4PZ -0.00817 -0.00572 -0.00320 -0.00440 -0.00331 29 5PX 0.01005 -0.00103 0.00345 0.04412 -0.02886 30 5PY 0.03302 0.02259 0.00606 -0.00161 0.02103 31 5PZ 0.02530 0.02719 0.00155 0.02369 0.00701 32 6PX -0.00060 -0.00090 -0.00075 -0.00673 0.00323 33 6PY 0.00990 -0.00293 0.00396 -0.00977 -0.00376 34 6PZ -0.01174 0.00667 -0.00805 0.00101 -0.00715 35 7D 0 -0.24646 -0.17055 -0.02967 -0.18696 0.02556 36 7D+1 0.07390 0.19218 0.02098 -0.13932 -0.06386 37 7D-1 0.12901 -0.03614 0.22371 -0.22966 0.11655 38 7D+2 -0.08882 -0.11183 -0.02332 0.25124 -0.19989 39 7D-2 0.00338 0.21814 -0.00499 -0.01947 -0.16071 40 8D 0 -0.07884 -0.05553 -0.00917 -0.05940 0.00860 41 8D+1 0.02351 0.06271 0.00812 -0.04593 -0.01978 42 8D-1 0.04252 -0.01201 0.07287 -0.07382 0.03738 43 8D+2 -0.02963 -0.03574 -0.00787 0.08037 -0.06368 44 8D-2 0.00181 0.07044 -0.00292 -0.00482 -0.05204 45 3 Cu 1S 0.00187 -0.00080 -0.00247 -0.00193 -0.00117 46 2S 0.00348 0.01039 0.00864 -0.02507 -0.01038 47 3S 0.09674 -0.02952 -0.07539 -0.09768 -0.04912 48 4PX 0.00764 0.00704 -0.00252 0.00078 -0.00636 49 4PY 0.00301 0.00714 0.00231 0.00244 -0.00329 50 4PZ 0.00433 0.00042 -0.00152 0.01162 0.00641 51 5PX -0.02802 -0.02987 0.00161 -0.00789 0.01949 52 5PY -0.03162 -0.01771 0.00705 -0.00395 0.01331 53 5PZ -0.01339 -0.00591 0.00221 -0.04929 -0.02830 54 6PX 0.00863 -0.00591 -0.00624 -0.00079 -0.00836 55 6PY -0.01073 0.00379 0.00520 0.01108 -0.00193 56 6PZ 0.00586 -0.00206 -0.00408 0.00455 0.00110 57 7D 0 -0.04244 -0.03442 -0.01782 -0.18441 -0.16367 58 7D+1 0.07050 -0.13085 -0.00706 0.26743 -0.01682 59 7D-1 -0.03473 -0.14845 0.06822 -0.00622 -0.16147 60 7D+2 0.21011 0.29669 0.03302 0.04458 0.01978 61 7D-2 -0.20563 -0.02532 0.21785 0.24470 0.17810 62 8D 0 -0.01239 -0.01194 -0.00510 -0.05782 -0.05181 63 8D+1 0.02226 -0.04245 -0.00129 0.08596 -0.00488 64 8D-1 -0.01182 -0.04794 0.02087 -0.00312 -0.05218 65 8D+2 0.06757 0.09627 0.01098 0.01406 0.00678 66 8D-2 -0.06696 -0.00803 0.07154 0.07935 0.05721 67 4 Cu 1S 0.00001 -0.00001 0.00247 -0.00004 0.00034 68 2S -0.00011 -0.00002 0.01467 0.00000 -0.00087 69 3S 0.00024 -0.00019 0.13920 -0.00095 0.01010 70 4PX -0.01312 0.00868 0.00707 0.00003 -0.00038 71 4PY 0.00174 -0.00133 -0.00768 0.00003 -0.00139 72 4PZ 0.00885 -0.00611 0.01141 -0.00014 -0.00032 73 5PX 0.05093 -0.02967 -0.02304 -0.01096 0.00651 74 5PY -0.00686 0.00439 0.01518 0.00173 0.00785 75 5PZ -0.03481 0.02070 -0.03438 0.00764 0.00788 76 6PX -0.02350 0.01317 -0.00476 -0.03363 0.01213 77 6PY 0.00247 -0.00218 0.01834 0.00445 0.02439 78 6PZ 0.01551 -0.00940 -0.01039 0.02339 0.01187 79 7D 0 -0.08212 0.04864 0.03335 0.00533 -0.00026 80 7D+1 0.01666 -0.01334 0.10382 0.00144 -0.02474 81 7D-1 -0.10864 0.04674 -0.22122 0.02956 -0.02723 82 7D+2 0.09171 -0.04523 -0.08701 -0.01415 0.00702 83 7D-2 0.12618 -0.05045 -0.12096 -0.03591 -0.02467 84 8D 0 -0.02415 0.01463 0.00916 0.00214 0.00037 85 8D+1 0.00517 -0.00420 0.03138 0.00020 -0.00748 86 8D-1 -0.03064 0.01281 -0.06866 0.00897 -0.00831 87 8D+2 0.02641 -0.01304 -0.02850 -0.00455 0.00280 88 8D-2 0.03530 -0.01342 -0.03707 -0.01075 -0.00772 89 5 Cu 1S 0.00045 0.00012 -0.00025 0.00021 0.00013 90 2S 0.03616 -0.02725 0.03176 -0.00665 -0.00430 91 3S 0.08682 -0.04985 0.03534 -0.01187 -0.01371 92 4PX 0.00311 -0.00187 0.00503 -0.00073 -0.00621 93 4PY -0.00667 0.00465 -0.00832 0.00583 -0.00157 94 4PZ -0.00022 0.00122 0.00642 -0.00317 -0.00206 95 5PX -0.01945 0.01346 -0.01944 -0.00387 0.03530 96 5PY 0.03692 -0.02175 0.03465 -0.02409 0.01240 97 5PZ -0.00995 0.00063 -0.03892 0.01431 0.00993 98 6PX 0.00342 0.00549 -0.00611 0.01010 0.00916 99 6PY 0.01768 -0.00171 0.00780 -0.01659 -0.00592 100 6PZ 0.00564 -0.00077 -0.00929 0.01109 0.00454 101 7D 0 0.39678 -0.24612 0.34704 -0.07282 0.00418 102 7D+1 -0.15312 -0.16677 -0.11953 0.00331 0.06964 103 7D-1 -0.23905 -0.04463 0.08019 -0.10255 -0.08141 104 7D+2 0.02036 0.05315 0.08229 -0.26238 0.29956 105 7D-2 0.03512 -0.04726 0.19041 -0.14689 -0.23725 106 8D 0 0.13123 -0.08118 0.11477 -0.02438 0.00107 107 8D+1 -0.05087 -0.05399 -0.03891 0.00103 0.02230 108 8D-1 -0.07859 -0.01538 0.02597 -0.03261 -0.02699 109 8D+2 0.00798 0.01993 0.02697 -0.08692 0.09999 110 8D-2 0.01179 -0.01651 0.06232 -0.04780 -0.07804 111 6 Cu 1S 0.00004 -0.00001 -0.00251 0.00000 0.00194 112 2S -0.00076 -0.00050 0.00899 -0.00041 0.02145 113 3S 0.00107 -0.00114 -0.08268 -0.00071 0.09955 114 4PX 0.00126 -0.00996 -0.00157 0.00459 0.00228 115 4PY -0.00012 0.00159 -0.00018 -0.00078 0.01431 116 4PZ -0.00086 0.00703 -0.00207 -0.00321 0.00010 117 5PX -0.01739 0.05509 -0.00549 -0.01473 -0.00360 118 5PY 0.00218 -0.00883 0.00741 0.00255 -0.06423 119 5PZ 0.01284 -0.03881 -0.01023 0.01025 0.00862 120 6PX 0.00026 0.00599 -0.00369 0.00845 0.00492 121 6PY -0.00037 -0.00107 0.00226 -0.00128 0.00228 122 6PZ 0.00012 -0.00428 -0.00595 -0.00612 0.00656 123 7D 0 -0.04584 0.38570 -0.03056 -0.00890 -0.06483 124 7D+1 0.03690 -0.15220 -0.21465 0.01592 0.27247 125 7D-1 0.12517 0.11582 0.02665 0.08359 0.16482 126 7D+2 -0.02580 -0.25102 0.09553 -0.03022 -0.23855 127 7D-2 -0.17933 -0.05540 -0.03471 -0.11991 0.22350 128 8D 0 -0.01421 0.12481 -0.01056 -0.00225 -0.02012 129 8D+1 0.01175 -0.04922 -0.07048 0.00482 0.08818 130 8D-1 0.04073 0.03764 0.00724 0.02671 0.05411 131 8D+2 -0.00885 -0.08131 0.03006 -0.00998 -0.07555 132 8D-2 -0.05825 -0.01816 -0.01207 -0.03816 0.07236 133 7 Cu 1S -0.00046 -0.00011 -0.00027 -0.00022 0.00013 134 2S -0.03732 0.02691 0.03210 0.00604 -0.00396 135 3S -0.08919 0.04938 0.03669 0.01195 -0.01334 136 4PX 0.00272 -0.00260 0.00268 0.00153 -0.00024 137 4PY 0.00581 -0.00396 -0.00810 -0.00578 -0.00250 138 4PZ -0.00389 0.00192 0.00818 0.00255 -0.00614 139 5PX -0.00513 0.00773 -0.02309 -0.00938 0.00043 140 5PY -0.03353 0.01851 0.03610 0.02555 0.01785 141 5PZ 0.02747 -0.01561 -0.03719 -0.00480 0.03398 142 6PX -0.00788 0.00280 -0.00529 -0.00364 0.00009 143 6PY -0.01637 0.00054 0.00819 0.01576 -0.00444 144 6PZ -0.00201 -0.00514 -0.01030 -0.01564 0.01085 145 7D 0 0.18146 -0.04063 -0.16862 0.12042 0.31533 146 7D+1 -0.13781 0.28099 0.12370 -0.00619 -0.07343 147 7D-1 0.07797 0.00805 0.20455 0.24340 -0.13991 148 7D+2 -0.25706 0.11139 0.30570 0.16815 0.16455 149 7D-2 0.34996 0.02058 -0.11024 -0.03205 -0.06856 150 8D 0 0.05934 -0.01597 -0.05542 0.04015 0.10457 151 8D+1 -0.04504 0.09277 0.04130 -0.00195 -0.02515 152 8D-1 0.02501 0.00298 0.06674 0.07937 -0.04558 153 8D+2 -0.08583 0.03582 0.10081 0.05565 0.05471 154 8D-2 0.11577 0.00750 -0.03656 -0.01158 -0.02317 155 8 C 1S -0.00012 -0.00002 0.02289 -0.00019 0.00151 156 2S 0.00041 -0.00002 -0.04924 0.00042 -0.00324 157 3S 0.00003 0.00030 -0.11818 0.00097 -0.00731 158 4PX 0.00552 -0.00536 -0.00390 0.00243 -0.00029 159 4PY -0.00044 0.00097 -0.06829 0.00019 -0.00448 160 4PZ -0.00363 0.00377 0.01231 -0.00168 0.00086 161 5PX 0.00616 -0.00406 -0.00823 0.00628 -0.00208 162 5PY -0.00056 0.00060 -0.00209 -0.00072 -0.00461 163 5PZ -0.00408 0.00284 -0.01071 -0.00427 -0.00180 164 9 O 1S -0.00001 0.00001 -0.00492 0.00003 -0.00032 165 2S -0.00006 -0.00001 0.01267 -0.00011 0.00115 166 3S 0.00038 -0.00019 0.02842 -0.00006 0.00021 167 4PX -0.01254 0.01013 0.00992 -0.00527 0.00025 168 4PY 0.00173 -0.00182 0.05279 0.00039 0.00296 169 4PZ 0.00797 -0.00704 -0.00011 0.00338 -0.00069 170 5PX -0.00838 0.00655 0.00868 -0.00403 0.00074 171 5PY 0.00132 -0.00119 0.02259 0.00046 0.00106 172 5PZ 0.00531 -0.00452 0.00602 0.00258 0.00063 71 72 73 74 75 O O O O V EIGENVALUES -- -0.24773 -0.20904 -0.20680 -0.14621 -0.08591 1 1 Cu 1S 0.00000 0.00023 -0.00001 -0.00513 0.00559 2 2S 0.00023 0.34147 -0.00272 -0.15518 0.12708 3 3S 0.00022 0.10003 -0.00117 -0.13393 0.07691 4 4PX 0.00875 0.00836 0.01596 0.00814 -0.02188 5 4PY -0.00134 0.00403 -0.00248 -0.01503 -0.00288 6 4PZ -0.00613 0.01086 -0.01131 0.01470 -0.03117 7 5PX -0.03723 0.00197 -0.04812 -0.03897 0.09189 8 5PY 0.00572 0.01665 0.00723 0.04370 0.05871 9 5PZ 0.02601 -0.00010 0.03371 -0.06419 0.12182 10 6PX -0.01394 0.02227 -0.00952 0.00783 0.08009 11 6PY 0.00202 -0.01848 0.00137 -0.04109 -0.07605 12 6PZ 0.00989 0.03593 0.00652 0.01974 0.13016 13 7D 0 0.22291 -0.01431 0.08050 -0.04132 0.02012 14 7D+1 -0.08446 -0.00497 -0.02465 -0.04990 0.03182 15 7D-1 0.08236 0.03703 0.06958 0.02769 0.01470 16 7D+2 -0.15321 -0.00985 -0.07234 -0.02677 0.01421 17 7D-2 -0.05568 0.02822 -0.07629 0.02290 0.01077 18 8D 0 0.07351 -0.00298 0.02779 -0.01354 0.00866 19 8D+1 -0.02782 0.00245 -0.00872 -0.01706 0.01200 20 8D-1 0.02733 0.01629 0.02275 0.00793 0.00507 21 8D+2 -0.05059 -0.00196 -0.02443 -0.00858 0.00719 22 8D-2 -0.01859 0.01226 -0.02460 0.00657 0.00310 23 2 Cu 1S 0.00014 -0.00039 0.00051 0.00519 -0.00037 24 2S -0.00120 0.10281 -0.19054 0.14592 -0.10153 25 3S 0.00652 -0.03209 0.03082 0.11471 0.04546 26 4PX 0.00209 -0.00895 0.01573 0.03769 -0.02446 27 4PY -0.00371 -0.03325 -0.02493 -0.02334 0.00740 28 4PZ -0.00176 -0.03755 -0.01333 0.03174 0.01201 29 5PX -0.00898 0.02883 -0.04932 -0.11637 0.06896 30 5PY 0.02252 0.09648 0.04948 0.06512 -0.04191 31 5PZ 0.01557 0.08596 0.05055 -0.09250 -0.02504 32 6PX -0.00051 0.02429 -0.03592 0.01448 0.04121 33 6PY 0.01474 0.03770 -0.00275 0.04534 0.06561 34 6PZ 0.01678 0.02000 0.01852 0.01082 0.07106 35 7D 0 -0.15582 -0.19471 -0.03762 0.04805 -0.02436 36 7D+1 -0.19742 0.00706 0.08091 -0.01832 -0.03527 37 7D-1 -0.01081 -0.03600 0.02772 -0.04191 -0.03781 38 7D+2 -0.12228 -0.04143 -0.13616 -0.08814 0.01006 39 7D-2 -0.21391 0.07123 -0.03891 0.00402 0.00237 40 8D 0 -0.05043 -0.06569 -0.01322 0.01543 -0.00763 41 8D+1 -0.06208 0.00213 0.02954 -0.00697 -0.00971 42 8D-1 -0.00356 -0.01167 0.00915 -0.01608 -0.01060 43 8D+2 -0.03949 -0.01429 -0.04538 -0.02820 0.00307 44 8D-2 -0.06777 0.02612 -0.01509 0.00270 0.00046 45 3 Cu 1S -0.00015 -0.00040 -0.00053 0.00525 0.00002 46 2S 0.00119 0.10546 0.18886 0.14915 -0.09117 47 3S -0.00687 -0.03278 -0.03004 0.11611 0.05368 48 4PX 0.00300 -0.03813 0.02287 0.01292 0.02201 49 4PY 0.00292 -0.02841 0.01956 -0.01949 -0.00009 50 4PZ -0.00200 -0.01691 -0.01310 0.04931 -0.01946 51 5PX -0.02190 0.08832 -0.07374 -0.03638 -0.05934 52 5PY -0.01800 0.08670 -0.03228 0.05313 -0.02008 53 5PZ 0.00666 0.04360 0.03414 -0.14932 0.06182 54 6PX -0.01855 0.01766 -0.02771 0.01237 0.05905 55 6PY -0.01161 0.03858 0.01213 0.04513 0.06247 56 6PZ -0.00325 0.02477 0.02629 0.01108 0.05521 57 7D 0 0.10246 0.02336 0.03436 -0.08638 -0.00183 58 7D+1 0.25227 -0.07560 -0.06375 0.04000 -0.04102 59 7D-1 0.20764 0.05284 0.06886 -0.04377 -0.00604 60 7D+2 0.06708 -0.19258 0.09871 -0.01720 -0.01678 61 7D-2 -0.06962 0.00379 -0.09704 -0.03022 -0.04036 62 8D 0 0.03241 0.00698 0.00935 -0.02834 0.00005 63 8D+1 0.07998 -0.02518 -0.02232 0.01248 -0.01190 64 8D-1 0.06606 0.01981 0.02494 -0.01364 -0.00176 65 8D+2 0.02254 -0.06545 0.03359 -0.00639 -0.00519 66 8D-2 -0.02248 0.00118 -0.03356 -0.01264 -0.01115 67 4 Cu 1S 0.00000 -0.00054 0.00002 -0.00510 -0.00687 68 2S 0.00000 0.00259 -0.00019 -0.20378 -0.16310 69 3S 0.00002 -0.00041 0.00008 -0.00269 0.14117 70 4PX 0.00133 -0.02357 0.04498 -0.01225 -0.01996 71 4PY -0.00024 -0.04170 -0.00644 0.00563 -0.02661 72 4PZ -0.00096 -0.02523 -0.03125 -0.01807 -0.01968 73 5PX -0.00313 0.06680 -0.12690 0.06521 0.08233 74 5PY 0.00056 0.12599 0.01809 -0.04137 0.12291 75 5PZ 0.00227 0.06997 0.08836 0.09895 0.07698 76 6PX 0.00670 -0.03044 0.04867 -0.03245 -0.06047 77 6PY -0.00125 -0.05671 -0.00737 -0.07658 -0.13540 78 6PZ -0.00495 -0.03270 -0.03427 -0.02988 -0.06101 79 7D 0 0.01005 0.04710 0.09101 -0.05493 -0.06877 80 7D+1 -0.00370 -0.01221 -0.03606 -0.09391 -0.04366 81 7D-1 0.00460 0.00459 0.01973 0.12138 -0.07983 82 7D+2 -0.00703 0.08607 -0.05745 0.00860 -0.11637 83 7D-2 -0.00408 -0.02471 -0.00383 0.07611 -0.01873 84 8D 0 0.00298 0.01814 0.03154 -0.01318 -0.01443 85 8D+1 -0.00111 -0.00003 -0.01322 -0.02508 -0.00701 86 8D-1 0.00124 0.00301 0.00273 0.03810 -0.01943 87 8D+2 -0.00203 0.03043 -0.01814 0.00664 -0.02715 88 8D-2 -0.00103 -0.00726 0.00434 0.02280 -0.00493 89 5 Cu 1S -0.00005 0.00004 -0.00015 -0.00420 0.00706 90 2S -0.00708 -0.17182 -0.28909 -0.14920 0.13484 91 3S -0.01043 -0.03568 -0.08487 -0.12355 0.11024 92 4PX -0.00975 -0.01754 0.00248 0.00999 -0.00982 93 4PY -0.00615 -0.00389 0.01553 -0.01797 0.01141 94 4PZ -0.00161 -0.00056 0.00338 0.02403 0.03486 95 5PX 0.04393 0.03670 -0.03084 -0.04789 0.04112 96 5PY 0.02650 0.03183 -0.01436 0.07503 -0.05559 97 5PZ 0.00752 0.01433 0.00785 -0.06755 -0.14116 98 6PX 0.01097 -0.00452 -0.02544 -0.00032 0.05125 99 6PY 0.00924 0.02393 0.01862 0.02294 -0.01661 100 6PZ -0.00028 -0.00567 -0.00814 -0.00989 -0.07796 101 7D 0 -0.03187 -0.02200 0.00259 0.05758 0.03793 102 7D+1 0.00887 -0.04319 0.06852 -0.03908 -0.04766 103 7D-1 -0.05391 -0.08354 -0.00105 0.03565 0.00460 104 7D+2 0.35085 0.09363 -0.07452 0.01779 -0.02311 105 7D-2 -0.10802 -0.02830 0.01179 0.05200 -0.02278 106 8D 0 -0.01061 -0.00620 0.00206 0.01931 0.01041 107 8D+1 0.00252 -0.01253 0.02388 -0.01214 -0.01494 108 8D-1 -0.01833 -0.02922 -0.00327 0.01093 0.00267 109 8D+2 0.11569 0.03276 -0.02406 0.00678 -0.00617 110 8D-2 -0.03552 -0.00748 0.00800 0.01831 -0.00807 111 6 Cu 1S 0.00000 0.00118 -0.00002 0.00657 0.00646 112 2S 0.00004 -0.20913 0.00202 0.20900 0.06908 113 3S 0.00040 0.04219 0.00016 0.15425 0.22812 114 4PX -0.00290 -0.00005 0.04481 0.01060 0.02355 115 4PY 0.00031 -0.01903 -0.00672 -0.04773 0.02412 116 4PZ 0.00206 0.00317 -0.03159 0.02508 0.02672 117 5PX 0.02584 0.01701 -0.11603 -0.03225 -0.07172 118 5PY -0.00335 0.05167 0.01732 0.14310 -0.09511 119 5PZ -0.01825 0.01518 0.08158 -0.07605 -0.07702 120 6PX 0.01551 0.02109 -0.03314 -0.02482 -0.03974 121 6PY -0.00233 0.03786 0.00489 0.02153 0.02128 122 6PZ -0.01077 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-0.02845 0.05097 0.13877 162 5PY 0.00018 0.02028 0.00415 0.03862 0.08260 163 5PZ 0.00083 0.02038 0.01928 0.05946 0.16432 164 9 O 1S 0.00000 -0.00068 0.00004 0.00698 0.00286 165 2S 0.00000 0.00205 -0.00011 -0.02028 -0.00586 166 3S -0.00002 0.00409 -0.00023 -0.03229 -0.02388 167 4PX 0.00179 -0.05321 0.07800 -0.07675 -0.17707 168 4PY -0.00029 -0.03590 -0.01249 -0.10971 -0.11950 169 4PZ -0.00123 -0.06933 -0.05227 -0.07566 -0.20496 170 5PX 0.00122 -0.03234 0.04792 -0.05244 -0.12999 171 5PY -0.00020 -0.02252 -0.00763 -0.05601 -0.08433 172 5PZ -0.00085 -0.04196 -0.03217 -0.05665 -0.15154 76 77 78 79 80 V V V V V EIGENVALUES -- -0.08219 -0.07620 -0.07321 -0.07302 -0.02912 1 1 Cu 1S 0.00002 0.01031 -0.00067 0.00907 0.00712 2 2S -0.00083 0.13005 -0.01519 0.20497 0.01879 3 3S 0.00103 0.17042 -0.01676 0.21683 0.21976 4 4PX 0.00906 -0.01255 -0.04610 -0.02125 -0.03702 5 4PY -0.00209 -0.06176 0.00742 -0.00622 0.02402 6 4PZ -0.00494 -0.00471 0.03521 -0.02104 -0.05416 7 5PX -0.05020 0.05486 0.17584 0.11785 0.14743 8 5PY 0.00877 0.21004 -0.03017 0.04473 -0.10097 9 5PZ 0.03002 0.03268 -0.13959 0.12794 0.21718 10 6PX 0.02000 0.02317 0.07244 0.03200 0.15651 11 6PY 0.00525 0.19111 -0.01529 0.08661 -0.08741 12 6PZ -0.02293 -0.00882 -0.05508 0.01321 0.22126 13 7D 0 0.03047 -0.03124 -0.06571 0.00056 0.02245 14 7D+1 -0.01657 0.01531 0.02758 -0.01949 0.03086 15 7D-1 -0.01518 0.04630 -0.01635 -0.00065 -0.00810 16 7D+2 -0.01168 -0.04753 0.03881 0.02694 0.01505 17 7D-2 0.02911 0.04880 0.00646 -0.00878 -0.00618 18 8D 0 0.00800 -0.01086 -0.01933 0.00017 0.00723 19 8D+1 -0.00465 0.00454 0.00803 -0.00415 0.00756 20 8D-1 -0.00502 0.01519 -0.00444 -0.00008 -0.00257 21 8D+2 -0.00284 -0.01633 0.01132 0.00686 0.00674 22 8D-2 0.00916 0.01618 0.00135 -0.00208 -0.00282 23 2 Cu 1S -0.00645 0.00586 0.00862 -0.00611 -0.00076 24 2S -0.16105 0.00353 0.22148 -0.12854 -0.04445 25 3S -0.14161 0.26133 0.07837 -0.10230 -0.06128 26 4PX 0.01012 -0.01581 -0.03372 0.02232 -0.02153 27 4PY 0.00645 -0.04774 -0.01647 -0.00105 0.04140 28 4PZ -0.02459 0.02358 -0.00499 -0.02201 0.03660 29 5PX -0.05506 0.05158 0.13022 -0.08739 0.08011 30 5PY -0.03458 0.12621 0.10530 0.00016 -0.14148 31 5PZ 0.08915 -0.03438 -0.02148 0.10692 -0.10833 32 6PX -0.03018 -0.00182 0.05558 -0.04341 0.02841 33 6PY -0.05403 -0.02811 0.00741 -0.06439 -0.03115 34 6PZ 0.05236 -0.10662 -0.03661 0.00412 -0.01827 35 7D 0 0.01780 0.02035 -0.00075 -0.01852 -0.00488 36 7D+1 0.01204 -0.02800 -0.03855 -0.04987 -0.04079 37 7D-1 0.03200 -0.08233 0.04612 -0.00446 0.01713 38 7D+2 0.00188 0.00813 -0.00940 -0.00689 -0.03152 39 7D-2 0.02781 0.02887 -0.01394 -0.07105 -0.00223 40 8D 0 0.00494 0.00798 0.00162 -0.00326 -0.00143 41 8D+1 0.00299 -0.00760 -0.01208 -0.01206 -0.00880 42 8D-1 0.01052 -0.02600 0.01247 -0.00026 0.00574 43 8D+2 0.00121 0.00116 -0.00268 -0.00043 -0.00766 44 8D-2 0.00741 0.00741 -0.00182 -0.01963 -0.00039 45 3 Cu 1S 0.00660 0.00573 -0.00753 -0.00732 -0.00054 46 2S 0.16690 0.00071 -0.19878 -0.16007 -0.03870 47 3S 0.14405 0.25713 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0.02425 -0.01112 0.00689 -0.00187 88 8D-2 0.02647 0.00097 -0.00670 -0.00877 0.00370 89 5 Cu 1S -0.00002 0.00481 -0.00910 -0.00678 -0.00281 90 2S 0.02710 0.04348 -0.19525 -0.14742 -0.03201 91 3S -0.01110 0.00809 -0.23939 -0.13604 -0.04029 92 4PX -0.01002 -0.00874 -0.01122 0.05263 -0.02204 93 4PY 0.02625 0.02910 -0.03245 0.00798 -0.04380 94 4PZ -0.02963 0.02035 -0.02598 -0.01059 0.00775 95 5PX 0.04373 0.03970 0.02072 -0.23525 0.06783 96 5PY -0.11955 -0.10865 0.16308 -0.00768 0.18221 97 5PZ 0.07423 -0.08713 0.09948 0.05422 -0.00947 98 6PX 0.04556 0.03200 0.00413 -0.09297 0.10913 99 6PY -0.01356 -0.09732 0.05680 0.00268 0.23751 100 6PZ 0.04575 0.00447 0.08634 0.05639 -0.01931 101 7D 0 -0.05801 -0.00171 -0.00469 -0.00228 -0.00922 102 7D+1 -0.00139 -0.01441 0.00394 -0.00424 -0.02012 103 7D-1 -0.01102 0.05770 -0.01184 -0.00663 0.01243 104 7D+2 -0.01610 -0.01058 0.03484 -0.06784 0.01732 105 7D-2 0.00574 -0.02926 -0.03007 0.02104 0.00127 106 8D 0 -0.01993 -0.00182 -0.00300 -0.00099 -0.00034 107 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0.00001 0.00272 0.00085 112 2S 0.00289 0.04640 0.00063 -0.00358 -0.03339 113 3S 0.00267 0.21753 -0.00087 -0.30919 0.22969 114 4PX -0.05625 -0.03207 0.02219 0.01020 0.01244 115 4PY 0.00702 0.00276 -0.00372 0.06005 0.03350 116 4PZ 0.04023 -0.04709 -0.01571 0.00147 0.01059 117 5PX 0.18553 0.17504 0.00797 -0.05131 -0.06608 118 5PY -0.02110 0.03839 -0.00072 -0.21916 -0.08038 119 5PZ -0.13471 0.24333 -0.00600 -0.02591 -0.07933 120 6PX 0.01756 0.28654 -0.06006 0.00676 -0.46170 121 6PY -0.00321 -0.03684 0.00921 -0.22510 -0.25691 122 6PZ -0.01596 0.41783 0.04278 0.06045 -0.60334 123 7D 0 -0.00067 0.00141 -0.07003 -0.01511 -0.01850 124 7D+1 0.00436 0.02412 0.02997 0.02589 -0.04328 125 7D-1 0.02305 0.02463 -0.00310 -0.00743 0.03091 126 7D+2 -0.01317 -0.00549 0.03731 -0.04412 0.00900 127 7D-2 -0.03173 0.02215 -0.01517 0.01113 0.01455 128 8D 0 0.00015 -0.00040 -0.02326 -0.00491 -0.00692 129 8D+1 0.00099 0.00626 0.00977 0.00697 -0.00777 130 8D-1 0.00529 0.01062 -0.00207 0.00154 0.00893 131 8D+2 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7D-2 0.02138 -0.02069 -0.02852 -0.01662 -0.01919 18 8D 0 0.00335 0.00755 0.00007 0.00231 -0.00765 19 8D+1 -0.00162 -0.00339 -0.00671 0.00034 0.00351 20 8D-1 -0.00103 0.00004 -0.01048 -0.00348 0.00126 21 8D+2 -0.00127 0.01457 0.00158 0.00304 0.00350 22 8D-2 0.00236 -0.00487 -0.00874 -0.00350 -0.00339 23 2 Cu 1S 0.00029 -0.00188 -0.00104 -0.00341 0.00586 24 2S -0.00019 -0.10542 0.04514 -0.05377 0.10022 25 3S -0.01443 -1.12921 1.07185 -0.43335 0.92531 26 4PX -0.00154 0.02829 0.01620 0.00079 -0.00269 27 4PY 0.02176 0.00333 0.01819 0.00605 -0.03207 28 4PZ 0.02138 -0.00304 -0.01741 -0.02709 0.01847 29 5PX 0.01462 -0.14145 -0.04067 0.00147 -0.00753 30 5PY -0.10947 0.07480 -0.11723 -0.02149 0.16851 31 5PZ -0.11182 -0.05623 0.10960 0.14008 -0.08911 32 6PX 0.03796 -0.31078 0.43351 -0.13847 0.33479 33 6PY -0.06931 0.34401 0.09688 -0.33608 0.63486 34 6PZ -0.10788 -0.37608 -0.10562 0.29883 -0.51156 35 7D 0 0.00265 -0.01035 0.00454 0.01377 -0.00274 36 7D+1 0.05401 -0.00603 0.03353 -0.01200 0.01069 37 7D-1 0.00404 0.03906 0.02101 -0.02180 0.04482 38 7D+2 -0.00253 0.02650 -0.01320 0.00365 0.01566 39 7D-2 0.05528 0.01072 -0.03028 -0.00153 -0.01713 40 8D 0 -0.00146 -0.00367 0.00265 0.00263 -0.00023 41 8D+1 0.01362 0.00082 0.00757 -0.00101 0.00168 42 8D-1 0.00082 0.01136 0.00851 -0.00390 0.00938 43 8D+2 -0.00204 0.00870 -0.00617 0.00120 0.00283 44 8D-2 0.01345 -0.00036 -0.00656 0.00042 -0.00220 45 3 Cu 1S -0.00031 -0.00181 -0.00110 -0.00377 -0.00567 46 2S -0.00009 -0.10386 0.04330 -0.05987 -0.09834 47 3S 0.01236 -1.10743 1.05216 -0.48803 -0.91933 48 4PX -0.02468 -0.01104 -0.01773 -0.02478 -0.00985 49 4PY -0.01774 0.00919 0.02357 0.01176 0.03353 50 4PZ -0.00279 0.02455 0.00626 -0.01001 -0.00764 51 5PX 0.12966 0.00963 0.09034 0.12738 0.03696 52 5PY 0.08670 0.05156 -0.13795 -0.04981 -0.17020 53 5PZ 0.00870 -0.16116 0.01834 0.05630 0.05620 54 6PX 0.12751 -0.18714 -0.21130 0.27464 0.43224 55 6PY 0.04420 0.31457 0.19559 -0.43985 -0.72852 56 6PZ -0.00958 -0.45628 0.35054 0.01883 -0.05319 57 7D 0 -0.01464 0.01328 0.01292 -0.00744 -0.01791 58 7D+1 -0.05512 -0.01687 0.02294 -0.00142 0.00423 59 7D-1 -0.04510 0.03331 -0.02562 -0.00888 -0.00470 60 7D+2 0.02650 0.01679 0.00226 0.00701 -0.02187 61 7D-2 -0.00122 0.02493 0.03625 -0.02776 -0.04135 62 8D 0 -0.00347 0.00699 -0.00023 -0.00047 -0.00268 63 8D+1 -0.01302 -0.00448 0.00678 0.00068 0.00058 64 8D-1 -0.01059 0.00691 -0.00539 -0.00096 -0.00212 65 8D+2 0.00878 0.00510 0.00127 0.00112 -0.00439 66 8D-2 -0.00110 0.00862 0.01185 -0.00512 -0.00828 67 4 Cu 1S 0.00001 0.00411 0.00029 -0.00022 0.00000 68 2S 0.00027 0.17930 0.09585 0.01017 -0.00017 69 3S 0.00198 2.07408 2.18152 0.09047 0.00011 70 4PX 0.00003 0.00000 0.00975 0.00357 0.00107 71 4PY 0.00000 -0.01226 -0.01518 -0.00425 0.00005 72 4PZ -0.00004 0.00306 0.01710 0.00596 -0.00120 73 5PX 0.00504 -0.02261 -0.03473 -0.00423 -0.03005 74 5PY -0.00104 0.16076 -0.00638 0.05080 0.00364 75 5PZ -0.00398 -0.07182 -0.04492 -0.01454 0.02220 76 6PX 0.02307 -0.24886 -0.04401 0.13700 -0.27248 77 6PY -0.00421 0.95441 -0.01562 0.20015 0.03801 78 6PZ -0.01901 -0.59754 -0.04858 0.16974 0.18201 79 7D 0 0.00013 -0.01438 -0.00683 0.00090 -0.01621 80 7D+1 -0.00001 -0.00590 -0.02481 0.04189 0.00178 81 7D-1 0.00032 -0.02248 0.05216 0.01659 -0.02739 82 7D+2 -0.00019 -0.02851 0.02229 -0.01958 0.02029 83 7D-2 -0.00053 -0.00699 0.02764 0.02434 0.03208 84 8D 0 0.00034 -0.00118 -0.00153 0.00210 -0.00109 85 8D+1 -0.00016 0.00348 -0.00391 0.00838 -0.00044 86 8D-1 -0.00014 -0.01479 0.00688 0.00264 -0.00463 87 8D+2 -0.00013 -0.00938 0.00231 -0.00118 0.00252 88 8D-2 0.00024 -0.00707 0.00383 0.00352 0.00587 89 5 Cu 1S -0.00029 0.00230 -0.00066 0.00033 0.00001 90 2S -0.01605 0.06827 -0.11211 0.00496 0.01381 91 3S -0.11231 0.54091 -1.11730 0.17051 0.41423 92 4PX -0.04743 -0.00778 0.01168 -0.02366 -0.00504 93 4PY -0.03466 0.01582 -0.01662 -0.00128 0.03155 94 4PZ -0.00737 -0.00523 0.00022 -0.01861 -0.02306 95 5PX 0.22442 0.02252 -0.00774 0.11329 0.00800 96 5PY 0.15814 -0.03199 0.02288 0.01823 -0.14163 97 5PZ 0.03025 -0.01744 -0.08935 0.10207 0.14073 98 6PX 0.68901 0.03018 0.43430 0.71355 -0.13211 99 6PY 0.44922 -0.14270 -0.59270 0.11897 -0.74042 100 6PZ 0.06331 -0.05194 -0.64049 0.55935 0.76469 101 7D 0 0.00738 -0.04313 -0.00865 0.00584 0.02320 102 7D+1 0.02269 0.02238 0.02772 -0.02148 0.00047 103 7D-1 0.01666 -0.01501 -0.03351 -0.00252 0.01379 104 7D+2 -0.01213 0.00359 0.00574 -0.03564 0.03209 105 7D-2 -0.00183 0.02139 0.01720 0.02533 0.00440 106 8D 0 0.00098 -0.01301 -0.00171 0.00021 0.00244 107 8D+1 0.00336 0.00466 0.00880 -0.00358 0.00016 108 8D-1 0.00124 -0.00194 -0.01030 -0.00119 0.00277 109 8D+2 0.00266 -0.00062 0.00192 -0.00526 0.00409 110 8D-2 -0.00122 0.00244 0.00765 0.00247 -0.00176 111 6 Cu 1S 0.00000 -0.00165 -0.00171 0.00712 -0.00019 112 2S -0.00024 -0.10044 0.01972 0.10592 -0.00356 113 3S -0.00250 -0.92271 0.83345 0.93219 -0.03660 114 4PX 0.02461 -0.01166 -0.01810 0.01937 0.01677 115 4PY -0.00374 -0.02035 -0.00622 -0.00909 -0.00247 116 4PZ -0.01727 -0.01193 -0.02456 0.02848 -0.01294 117 5PX -0.11287 0.02639 0.08788 -0.09859 -0.09717 118 5PY 0.01685 0.14830 -0.03321 0.05732 0.01440 119 5PZ 0.07868 0.00253 0.13349 -0.14658 0.07385 120 6PX -0.10170 -0.05776 -0.18899 -0.58715 0.03038 121 6PY 0.01469 0.33563 -0.33497 -0.07744 0.00586 122 6PZ 0.06898 -0.14976 -0.19627 -0.82546 0.01642 123 7D 0 0.01104 -0.01088 -0.01214 -0.03142 0.01322 124 7D+1 0.00169 -0.01499 -0.03143 -0.05323 -0.00217 125 7D-1 0.04376 0.02709 -0.03171 0.00382 0.00954 126 7D+2 -0.02457 0.00125 -0.00936 -0.01629 -0.01002 127 7D-2 -0.05785 0.01745 -0.02355 0.00138 -0.00981 128 8D 0 0.00392 -0.00484 -0.00247 -0.00626 0.00258 129 8D+1 -0.00014 -0.00503 -0.01065 -0.01140 -0.00047 130 8D-1 0.01059 0.00611 -0.00757 0.00145 0.00118 131 8D+2 -0.00662 -0.00248 0.00058 -0.00249 -0.00172 132 8D-2 -0.01372 0.00463 -0.00686 0.00049 -0.00098 133 7 Cu 1S 0.00028 0.00234 -0.00070 0.00029 0.00000 134 2S 0.01565 0.07050 -0.11245 0.00427 -0.01291 135 3S 0.10964 0.55800 -1.12224 0.14888 -0.41290 136 4PX 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-0.00730 -0.00022 0.00010 156 2S 0.00000 -0.00947 0.04379 0.00004 -0.00034 157 3S -0.00018 -0.04601 -0.04983 0.00592 0.00017 158 4PX -0.00764 0.06218 -0.01733 0.03009 -0.03937 159 4PY 0.00138 0.05410 0.01418 0.01953 0.00636 160 4PZ 0.00549 0.07021 -0.02680 0.04200 0.02602 161 5PX -0.00518 0.05710 0.00284 0.01783 -0.03052 162 5PY 0.00114 -0.00132 -0.04696 0.00425 0.00470 163 5PZ 0.00388 0.07765 0.01650 0.02652 0.02019 164 9 O 1S -0.00003 -0.02363 0.00056 0.00279 -0.00036 165 2S 0.00006 0.06959 0.00134 -0.00757 0.00109 166 3S 0.00024 0.11649 -0.01250 -0.01917 0.00164 167 4PX 0.00419 -0.02696 0.00634 -0.01670 -0.00910 168 4PY -0.00052 -0.00891 -0.00041 -0.01454 0.00145 169 4PZ -0.00264 -0.03471 0.00890 -0.02167 0.00627 170 5PX 0.00335 -0.02704 0.00515 -0.01309 0.00957 171 5PY -0.00056 -0.03755 0.00643 -0.00808 -0.00187 172 5PZ -0.00232 -0.02716 0.00520 -0.01820 -0.00614 91 92 93 94 95 V V V V V EIGENVALUES -- 0.04263 0.04283 0.04893 0.04935 0.05240 1 1 Cu 1S 0.00001 0.00002 0.00005 -0.00001 -0.00312 2 2S -0.00212 0.11105 0.09080 0.00023 -0.08358 3 3S -0.03053 1.53139 1.69543 0.01077 -1.46259 4 4PX -0.01959 -0.00615 -0.02461 0.01753 -0.00305 5 4PY 0.00266 0.00816 -0.02018 -0.00283 0.02888 6 4PZ 0.01397 -0.00944 -0.03053 -0.01258 -0.01066 7 5PX 0.02994 -0.03993 0.08035 -0.08721 0.05858 8 5PY -0.00205 -0.08864 0.05271 0.01320 -0.09859 9 5PZ -0.01902 -0.04003 0.10155 0.06188 0.10462 10 6PX -0.48780 -0.43909 -0.46610 1.18974 0.37716 11 6PY 0.10167 -0.90998 0.79126 -0.17316 -0.06314 12 6PZ 0.35258 -0.39916 -0.83432 -0.84637 0.56770 13 7D 0 -0.03856 0.00561 0.01960 0.03750 -0.00308 14 7D+1 0.01352 0.01038 0.02938 -0.01623 0.00824 15 7D-1 -0.02115 0.01869 -0.02694 -0.00069 0.00690 16 7D+2 0.02884 0.01078 0.00425 -0.01898 -0.00831 17 7D-2 0.01829 0.01221 -0.01773 0.01060 0.00916 18 8D 0 -0.01315 0.00372 0.00475 0.00826 0.00016 19 8D+1 0.00455 0.00757 0.00901 -0.00343 -0.00022 20 8D-1 -0.00669 0.00803 0.00042 0.00074 0.00307 21 8D+2 0.00951 0.00433 0.00185 -0.00458 0.00135 22 8D-2 0.00551 0.00553 0.00065 0.00114 0.00187 23 2 Cu 1S -0.00087 0.00016 0.00015 0.00114 -0.00021 24 2S 0.16402 -0.09617 0.00123 -0.00671 0.02107 25 3S 2.32710 -1.37447 0.14699 -0.40247 0.13917 26 4PX -0.01002 0.00777 -0.01439 0.02358 -0.00234 27 4PY 0.00136 -0.00618 0.03254 0.01417 -0.01664 28 4PZ -0.00714 -0.00192 0.02691 0.02024 0.01325 29 5PX -0.05351 0.03011 0.03627 -0.07023 0.02671 30 5PY -0.11370 0.09134 -0.22213 -0.07230 0.09660 31 5PZ 0.12914 -0.05360 -0.18065 -0.14261 -0.02153 32 6PX -0.53352 0.27916 0.92726 -1.34770 0.25733 33 6PY -0.55426 0.54068 -1.15464 -0.37745 0.09129 34 6PZ 0.83494 -0.38937 -0.82176 -0.92463 -0.40490 35 7D 0 -0.00845 -0.00829 -0.00756 -0.01852 0.01291 36 7D+1 -0.03025 -0.01710 -0.01590 -0.01865 -0.02061 37 7D-1 0.00341 -0.00041 0.00313 0.00098 0.02283 38 7D+2 -0.00114 -0.00695 -0.01719 0.01275 -0.03129 39 7D-2 -0.00093 -0.03510 -0.02599 -0.00695 0.01832 40 8D 0 -0.00244 -0.00399 -0.00394 -0.00365 0.00463 41 8D+1 -0.01382 -0.00662 -0.00359 0.00023 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0.01466 62 8D 0 0.00965 0.00096 -0.00211 -0.00301 -0.01106 63 8D+1 0.01131 -0.01004 -0.00480 0.00294 0.00193 64 8D-1 -0.00204 -0.01523 -0.00158 0.00274 0.00205 65 8D+2 -0.00155 0.00211 -0.00237 0.00133 0.00060 66 8D-2 -0.00148 0.00288 0.00154 -0.00115 0.00072 67 4 Cu 1S -0.00002 0.00031 -0.00142 0.00004 0.00309 68 2S -0.00078 0.01356 -0.00532 0.00007 0.01067 69 3S -0.01971 0.31950 0.18647 -0.00494 0.99653 70 4PX -0.00192 -0.00120 0.00965 -0.00531 -0.02391 71 4PY 0.00029 -0.00050 0.00538 0.00088 -0.00074 72 4PZ 0.00152 -0.00149 0.01229 0.00346 -0.03252 73 5PX 0.00699 -0.01214 -0.07787 0.07380 0.23511 74 5PY -0.00375 0.03440 -0.11293 -0.01075 -0.16325 75 5PZ -0.00321 -0.02617 -0.08340 -0.05129 0.36289 76 6PX 0.78207 -0.32905 -0.11108 -0.24790 -0.60945 77 6PY -0.10833 -0.44254 0.37831 0.02586 3.08360 78 6PZ -0.52720 -0.40806 -0.23399 0.18915 -1.60299 79 7D 0 0.01153 -0.00792 -0.00892 -0.01243 -0.00113 80 7D+1 0.00084 -0.04398 0.00318 0.00518 0.00622 81 7D-1 0.03120 -0.01709 -0.00471 -0.00038 -0.00877 82 7D+2 -0.01954 0.00999 -0.01789 0.00630 -0.00913 83 7D-2 -0.03932 -0.02182 0.00256 -0.00226 -0.00256 84 8D 0 0.00160 -0.00344 -0.00141 -0.00106 0.00246 85 8D+1 0.00135 -0.01506 0.00159 0.00034 0.00748 86 8D-1 0.01089 -0.00607 -0.00350 -0.00040 -0.01438 87 8D+2 -0.00551 0.00227 -0.00443 0.00076 -0.00566 88 8D-2 -0.01435 -0.00728 -0.00088 0.00051 -0.00770 89 5 Cu 1S -0.00010 -0.00023 -0.00055 0.00041 -0.00285 90 2S -0.11385 -0.06720 -0.03616 -0.05840 -0.02562 91 3S -1.50432 -0.90470 -0.83492 -1.27104 -0.50850 92 4PX -0.00259 0.01965 -0.00215 0.02767 -0.01461 93 4PY -0.01476 0.00723 -0.02361 -0.01624 0.01723 94 4PZ 0.00370 0.00467 -0.01533 -0.01277 -0.00186 95 5PX 0.03844 0.01004 0.03202 -0.11596 0.10639 96 5PY -0.03816 -0.04178 0.09502 0.05562 -0.09393 97 5PZ -0.06514 -0.04526 0.03355 0.02119 -0.02496 98 6PX 0.19727 0.69481 -0.73093 0.93457 0.28592 99 6PY -0.54368 -0.01864 -1.24548 -0.46429 -1.10750 100 6PZ -0.87055 -0.36715 0.49461 1.28372 1.02088 101 7D 0 0.00507 0.00901 0.01506 0.01668 0.02989 102 7D+1 0.00210 0.01528 0.00814 -0.02793 -0.02777 103 7D-1 -0.02304 0.00443 0.01669 0.02271 -0.00270 104 7D+2 0.02568 -0.04419 0.04138 -0.00664 0.00086 105 7D-2 0.00314 0.02127 -0.00121 0.03294 -0.00513 106 8D 0 0.00427 0.00363 0.00150 0.00310 0.00196 107 8D+1 0.00235 0.00626 0.00324 -0.00311 -0.00683 108 8D-1 -0.00946 0.00015 0.00122 0.00223 0.00361 109 8D+2 0.01067 -0.01454 0.00934 -0.00141 -0.00096 110 8D-2 0.00496 0.00977 0.00095 0.00868 -0.00178 111 6 Cu 1S 0.00005 -0.00134 0.00144 -0.00001 -0.00037 112 2S -0.00464 0.19356 -0.00979 0.00005 0.05838 113 3S -0.06806 2.82185 -0.48176 0.00006 0.78166 114 4PX 0.00298 -0.00038 -0.00794 -0.04017 0.02025 115 4PY -0.00080 0.01407 -0.02399 0.00594 -0.01095 116 4PZ -0.00207 -0.00355 -0.00637 0.02829 0.03137 117 5PX -0.01372 0.12025 0.00069 0.24893 -0.07274 118 5PY 0.00203 -0.00606 0.06826 -0.03781 0.07413 119 5PZ 0.00406 0.17235 -0.01237 -0.17541 -0.12295 120 6PX -0.03903 0.75129 0.10876 1.37869 -0.03921 121 6PY 0.00828 -0.01369 1.83973 -0.18813 -0.33269 122 6PZ -0.00524 1.05922 -0.22458 -0.96746 0.02407 123 7D 0 -0.00388 0.00463 -0.01187 -0.00826 0.02067 124 7D+1 0.00526 0.00272 -0.00066 0.00691 -0.00269 125 7D-1 0.02319 0.01890 0.01912 0.01984 -0.00106 126 7D+2 -0.00868 0.01153 -0.01330 -0.00447 0.03577 127 7D-2 -0.03377 0.00901 0.01834 -0.02973 -0.01231 128 8D 0 -0.00046 0.00209 -0.00316 -0.00269 0.00597 129 8D+1 0.00190 -0.00131 -0.00164 0.00161 0.00250 130 8D-1 0.01057 0.01059 -0.00101 0.00256 0.00067 131 8D+2 -0.00466 0.00737 -0.00443 0.00026 0.00849 132 8D-2 -0.01517 0.00453 0.00061 -0.00442 -0.00193 133 7 Cu 1S 0.00010 -0.00021 -0.00059 -0.00036 -0.00287 134 2S 0.11760 -0.06171 -0.03744 0.05780 -0.02316 135 3S 1.54779 -0.83065 -0.85421 1.26258 -0.46813 136 4PX -0.00125 -0.00048 -0.01860 0.02388 0.00749 137 4PY 0.01462 0.01100 -0.02110 0.00791 0.01408 138 4PZ -0.00177 0.01863 -0.00391 -0.02337 -0.01672 139 5PX 0.08255 -0.04955 0.04106 -0.06738 -0.08067 140 5PY 0.02264 -0.03076 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-0.01194 0.00561 7 5PX 0.03101 0.12925 -0.18471 -0.10050 0.03540 8 5PY -0.25860 -0.01813 -0.24674 0.00462 -0.00861 9 5PZ 0.10027 -0.09099 -0.21824 0.05628 -0.02639 10 6PX -0.88811 -1.16154 0.62375 -0.30344 2.41075 11 6PY 2.42262 0.17825 0.34181 0.07127 -0.31576 12 6PZ -1.78968 0.80154 0.80723 0.25186 -1.66687 13 7D 0 0.03395 -0.00248 -0.00090 0.00104 0.00312 14 7D+1 0.01588 -0.00296 -0.00736 -0.00212 -0.00054 15 7D-1 0.00899 -0.02817 -0.01683 -0.00979 0.00846 16 7D+2 0.04826 0.01396 -0.00141 0.00352 -0.00503 17 7D-2 -0.00682 0.03887 -0.01306 0.01252 -0.01186 18 8D 0 0.00501 0.00103 -0.00098 0.00602 -0.00127 19 8D+1 0.00065 -0.00096 -0.00614 -0.00308 0.00052 20 8D-1 -0.00255 -0.00397 -0.00626 -0.00167 -0.00020 21 8D+2 0.00716 0.00118 0.00123 -0.00247 0.00070 22 8D-2 -0.00398 0.00583 -0.00565 0.00331 -0.00017 23 2 Cu 1S -0.00086 0.00017 0.00073 0.00204 0.00018 24 2S -0.02324 -0.05731 -0.00470 0.00008 0.03440 25 3S -0.33895 -1.08995 -0.21801 -0.34626 0.97906 26 4PX -0.00853 -0.00665 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0.05747 -0.00498 -0.00038 -0.03288 47 3S -0.33689 1.09564 -0.24523 0.32838 -0.94145 48 4PX 0.00986 0.02134 -0.04857 -0.00427 0.00427 49 4PY 0.01933 -0.01889 -0.01095 -0.04664 -0.00885 50 4PZ -0.00981 0.01825 -0.00817 -0.00343 -0.00741 51 5PX -0.00811 -0.04723 0.28188 0.08780 -0.03738 52 5PY -0.05655 0.09827 0.12958 0.23630 0.06305 53 5PZ 0.09678 -0.15413 0.07778 -0.01894 0.03208 54 6PX -1.23096 0.04068 -0.24653 0.77497 -1.19354 55 6PY -0.79878 -1.39630 -0.01080 -0.06236 -1.42521 56 6PZ -0.51773 0.45306 1.33734 -1.99283 4.65339 57 7D 0 -0.00122 0.00875 0.00505 -0.00803 -0.01859 58 7D+1 -0.02152 0.00786 -0.01405 -0.00404 0.02683 59 7D-1 0.00688 -0.03112 -0.00204 -0.00107 -0.01700 60 7D+2 -0.00600 -0.01487 -0.05305 -0.03064 -0.02511 61 7D-2 0.00835 -0.01848 0.01251 0.00927 0.00733 62 8D 0 -0.00159 0.00202 0.00307 -0.00385 -0.00110 63 8D+1 -0.00250 -0.00052 -0.00231 0.00063 0.00206 64 8D-1 0.00055 -0.00373 0.00019 -0.00004 -0.00227 65 8D+2 0.00011 -0.00190 -0.00892 -0.00569 -0.00485 66 8D-2 0.00298 -0.00424 0.00307 0.00182 0.00103 67 4 Cu 1S 0.00255 0.00011 -0.00083 -0.00007 0.00003 68 2S 0.02378 0.00123 0.00706 0.00064 0.00066 69 3S -0.49941 -0.01189 -0.23183 -0.01294 0.00416 70 4PX -0.02671 -0.05095 -0.01988 -0.04460 -0.01856 71 4PY -0.03492 0.00828 -0.03810 0.00516 0.00247 72 4PZ -0.03084 0.03568 -0.02370 0.02986 0.01254 73 5PX 0.12232 0.30070 0.11645 0.33688 0.10162 74 5PY 0.29225 -0.04602 0.34490 -0.03466 -0.01426 75 5PZ 0.11213 -0.21402 0.11799 -0.23143 -0.06824 76 6PX 2.61891 3.52045 -0.63883 -2.00698 0.63036 77 6PY 2.64335 -0.58106 -2.07232 0.21083 -0.06165 78 6PZ 3.17558 -2.45123 -0.63765 1.38813 -0.43123 79 7D 0 0.01109 -0.01559 0.03558 -0.04963 -0.02059 80 7D+1 0.01281 0.00869 0.00435 0.02210 0.00903 81 7D-1 0.00528 0.01243 0.00464 -0.00133 -0.00149 82 7D+2 0.01083 0.00216 0.05247 0.02952 0.01209 83 7D-2 0.00170 -0.02143 -0.01246 -0.01169 -0.00385 84 8D 0 0.00252 -0.00340 0.00608 -0.00814 -0.00579 85 8D+1 -0.00001 0.00175 -0.00132 0.00358 0.00252 86 8D-1 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8D 0 0.00378 -0.00872 -0.00043 -0.00145 -0.00053 107 8D+1 -0.00656 -0.00039 -0.00494 0.00092 0.00204 108 8D-1 -0.00276 -0.00445 0.00038 -0.00538 -0.00206 109 8D+2 0.00242 0.00033 -0.00557 -0.00053 0.00130 110 8D-2 0.00017 -0.00006 -0.00138 0.00727 0.00216 111 6 Cu 1S -0.00045 -0.00003 -0.00198 -0.00009 -0.00001 112 2S 0.04476 0.00005 0.00655 -0.00003 -0.00069 113 3S 0.79501 0.00223 0.45943 0.01514 -0.01998 114 4PX 0.01301 0.01297 0.02398 -0.04256 -0.00138 115 4PY -0.01392 -0.00195 -0.00090 0.00662 0.00102 116 4PZ 0.02110 -0.00911 0.03061 0.03190 0.00169 117 5PX -0.04328 -0.00263 -0.09651 0.29146 0.00789 118 5PY 0.11872 -0.00087 0.06138 -0.04271 -0.00603 119 5PZ -0.08412 0.00202 -0.12509 -0.21365 -0.00973 120 6PX 0.76417 -0.76284 0.63281 0.00557 -2.12755 121 6PY -0.40763 0.12887 2.56251 0.10820 0.19470 122 6PZ 1.19384 0.55147 0.34646 0.03754 1.51189 123 7D 0 0.00426 0.00480 0.00001 0.05334 0.03257 124 7D+1 0.03187 -0.00320 0.00020 -0.02271 -0.01161 125 7D-1 -0.02756 -0.00810 0.00289 0.00213 0.01570 126 7D+2 -0.02263 0.00098 0.00608 -0.02863 -0.02371 127 7D-2 -0.00920 0.01302 0.00020 0.01116 -0.01439 128 8D 0 0.00019 0.00001 0.00108 0.00952 0.00661 129 8D+1 0.00651 -0.00032 -0.00137 -0.00404 -0.00253 130 8D-1 -0.00366 -0.00196 0.00115 0.00102 0.00190 131 8D+2 -0.00517 0.00088 0.00400 -0.00525 -0.00429 132 8D-2 -0.00029 0.00271 -0.00052 0.00108 -0.00096 133 7 Cu 1S -0.00016 -0.00202 -0.00023 -0.00118 -0.00009 134 2S 0.00144 0.01688 0.00140 0.00663 -0.05842 135 3S 0.48777 0.83169 0.25984 0.42773 -1.59041 136 4PX 0.02493 0.04594 0.02867 0.05739 0.01264 137 4PY -0.02374 -0.00520 0.02684 0.02281 0.00501 138 4PZ 0.00055 0.02014 0.00020 -0.03203 0.00771 139 5PX -0.08768 -0.22601 -0.12909 -0.27890 -0.09705 140 5PY 0.15949 0.03345 -0.12018 -0.10820 -0.01639 141 5PZ 0.01549 -0.15086 0.00392 0.14590 -0.06005 142 6PX 0.45458 0.89692 0.10778 0.32432 1.94697 143 6PY -1.22244 -0.52755 0.09287 1.14831 -1.22712 144 6PZ -0.49409 1.54498 -1.00702 -0.53043 -0.82342 145 7D 0 -0.00434 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-0.02146 -0.00758 0.04474 16 7D+2 0.01151 -0.01339 -0.00106 -0.00052 0.06072 17 7D-2 0.00408 0.00400 -0.01503 0.01171 0.00639 18 8D 0 -0.00327 -0.00580 0.00141 -0.00082 0.00044 19 8D+1 0.00308 -0.00231 0.00026 0.00008 -0.00366 20 8D-1 -0.00166 -0.00016 -0.00285 -0.00235 -0.00073 21 8D+2 0.00484 -0.00307 0.00124 0.00153 0.00115 22 8D-2 0.00033 0.00164 -0.00242 0.00300 -0.00172 23 2 Cu 1S -0.00048 0.00157 -0.00253 -0.00494 -0.01182 24 2S -0.00434 0.00436 -0.04069 -0.06912 -0.07994 25 3S -0.00348 -0.21039 -0.77167 -1.34275 -0.88034 26 4PX -0.00039 0.00757 -0.01299 -0.02134 0.04905 27 4PY -0.01865 -0.02170 0.02114 0.04044 -0.03756 28 4PZ -0.01809 -0.03180 -0.02774 -0.04061 0.01686 29 5PX 0.00830 -0.04416 0.13815 0.23518 -0.78292 30 5PY 0.10353 0.18060 -0.14098 -0.31212 0.55293 31 5PZ 0.10412 0.23389 0.23369 0.29293 -0.25261 32 6PX -0.16764 0.16362 0.02198 0.26149 1.43759 33 6PY -0.94013 -3.74077 1.03337 0.51039 -0.06612 34 6PZ -0.70823 -4.74099 -0.32439 -1.46156 0.37044 35 7D 0 -0.01192 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2.60368 -1.58629 1.05995 -0.73635 0.16878 56 6PZ 0.85315 -0.50042 -0.25418 0.33531 1.24706 57 7D 0 0.00839 0.01612 -0.00759 0.01280 0.05113 58 7D+1 0.04852 0.02062 -0.00255 -0.00189 0.03003 59 7D-1 0.04297 -0.00438 0.00026 0.00568 0.07066 60 7D+2 0.00213 -0.02231 0.00239 0.02379 0.01433 61 7D-2 0.00111 -0.01368 -0.02969 0.05295 -0.05582 62 8D 0 0.00302 0.00428 -0.00141 0.00161 0.01543 63 8D+1 0.01374 0.00810 0.00090 -0.00020 0.00691 64 8D-1 0.01298 0.00146 -0.00016 0.00239 0.02102 65 8D+2 -0.00365 -0.00176 0.00064 0.00573 -0.00318 66 8D-2 0.00151 -0.00615 -0.00852 0.01456 -0.01643 67 4 Cu 1S 0.00036 -0.00095 -0.00003 -0.00004 0.01691 68 2S 0.01995 -0.05138 0.00583 -0.00001 0.17931 69 3S -0.00888 0.02092 0.40170 0.03124 1.05734 70 4PX -0.00790 0.01177 0.01337 0.01578 -0.02576 71 4PY -0.00550 0.01562 0.00927 -0.00258 0.00931 72 4PZ -0.00383 0.01609 0.01742 -0.01022 -0.03794 73 5PX 0.06382 -0.06036 -0.03047 0.00709 0.27313 74 5PY 0.06045 -0.17314 -0.03513 -0.00388 0.22211 75 5PZ 0.00129 -0.07966 -0.03556 -0.00557 0.31508 76 6PX -1.50346 3.89610 -0.18192 -0.71739 -0.57986 77 6PY -3.03720 7.77836 -0.19450 0.12086 -0.35789 78 6PZ -1.50205 3.81950 -0.23568 0.50230 -0.71772 79 7D 0 0.00030 -0.00514 0.01265 0.02309 -0.02501 80 7D+1 0.00442 -0.00879 0.07698 -0.00161 0.00854 81 7D-1 -0.00895 0.02817 0.02320 0.04764 -0.03147 82 7D+2 -0.00280 0.00714 -0.02271 -0.03302 -0.06160 83 7D-2 -0.00895 0.01499 0.03340 -0.06066 -0.00145 84 8D 0 0.00021 0.00076 0.00342 0.00438 -0.00382 85 8D+1 0.00024 -0.00091 0.01933 0.00046 0.00185 86 8D-1 -0.00198 0.00713 0.00378 0.01262 -0.00940 87 8D+2 -0.00196 0.00355 -0.00601 -0.00806 -0.01129 88 8D-2 -0.00220 0.00324 0.00702 -0.01691 -0.00276 89 5 Cu 1S 0.00065 0.00033 0.00093 -0.00305 0.00319 90 2S 0.00025 0.01762 -0.00374 -0.00065 0.01346 91 3S -0.14719 0.25804 -0.33842 0.29537 0.85429 92 4PX 0.05415 0.03798 -0.05753 -0.01974 -0.02276 93 4PY 0.03525 0.02726 -0.01702 -0.05160 -0.06116 94 4PZ 0.00607 0.00268 -0.04581 0.06301 0.01096 95 5PX 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0.03060 0.00047 0.01227 115 4PY -0.00107 0.01658 -0.03966 -0.00040 0.07881 116 4PZ 0.02862 -0.00856 0.05202 0.00046 0.00265 117 5PX 0.18733 0.16952 -0.20381 0.01503 -0.21645 118 5PY 0.00617 -0.11374 0.36219 0.00110 -1.05627 119 5PZ -0.20872 0.08041 -0.36725 -0.01572 -0.11389 120 6PX -2.65310 -0.47523 0.99067 0.60434 0.06651 121 6PY 0.33277 0.27231 -0.52358 -0.09217 2.61326 122 6PZ 1.46129 1.35549 1.51822 -0.40256 -0.47137 123 7D 0 0.00536 0.00263 -0.03096 -0.00931 0.01374 124 7D+1 -0.00832 -0.00046 -0.06369 0.00179 0.01885 125 7D-1 -0.03698 -0.00425 0.00322 -0.00681 -0.03954 126 7D+2 0.01080 0.00627 -0.00772 0.00780 -0.00054 127 7D-2 0.04571 0.02473 -0.00229 0.00781 -0.03203 128 8D 0 -0.00076 -0.00100 -0.00765 -0.00169 0.00744 129 8D+1 -0.00121 -0.00039 -0.01849 0.00020 0.00776 130 8D-1 -0.01219 -0.00067 0.00255 -0.00139 -0.01473 131 8D+2 0.00516 0.00205 0.00045 0.00155 0.00265 132 8D-2 0.01374 0.00825 -0.00032 0.00172 -0.01223 133 7 Cu 1S -0.00065 -0.00024 0.00088 0.00306 0.00400 134 2S -0.01189 0.01281 -0.00349 0.00107 0.01792 135 3S -0.07199 0.30084 -0.33106 -0.31787 0.89062 136 4PX 0.00592 0.00025 -0.02662 -0.05532 0.00374 137 4PY -0.05539 -0.00521 -0.02301 0.06275 -0.06411 138 4PZ -0.05669 -0.00811 -0.06671 -0.01248 -0.00524 139 5PX -0.03896 0.02180 0.21361 0.50713 0.09594 140 5PY 0.43808 0.04512 0.20879 -0.55801 0.99376 141 5PZ 0.44117 0.04994 0.59151 0.11971 0.05754 142 6PX -0.63385 1.72217 -0.56827 -1.19843 0.10018 143 6PY 1.06140 -3.08309 0.09461 1.07507 -0.88442 144 6PZ -0.12814 -0.01938 -0.67988 -0.68863 -0.78429 145 7D 0 0.01151 -0.00839 -0.00817 -0.00519 -0.04625 146 7D+1 -0.00403 0.00532 -0.01483 -0.00699 -0.00913 147 7D-1 -0.00106 -0.00444 0.00154 0.00984 -0.02201 148 7D+2 0.00935 -0.00915 0.00022 0.01308 -0.04533 149 7D-2 0.00148 -0.01034 -0.00329 0.01263 0.04887 150 8D 0 0.00649 -0.00105 0.00081 -0.00265 -0.01198 151 8D+1 -0.00230 0.00051 -0.00266 0.00130 -0.00001 152 8D-1 0.00034 -0.00247 -0.00063 0.00161 -0.00400 153 8D+2 0.00598 -0.00420 0.00060 0.00284 -0.00397 154 8D-2 -0.00170 0.00040 -0.00146 0.00259 0.01385 155 8 C 1S 0.00296 -0.00768 0.00112 0.00016 0.04027 156 2S -0.00155 0.00414 -0.00762 -0.00077 -0.08009 157 3S -0.07666 0.19795 0.02220 0.00005 -0.61167 158 4PX 0.01562 -0.04851 0.04299 0.10772 -0.02986 159 4PY -0.00033 0.00226 0.02612 -0.01737 -0.05437 160 4PZ 0.02839 -0.06707 0.05709 -0.07252 -0.02755 161 5PX 0.00813 -0.04799 0.03765 0.03817 -0.02357 162 5PY 0.06763 -0.16867 -0.09104 -0.01374 0.19223 163 5PZ 0.01575 -0.02166 0.07528 -0.01820 -0.08224 164 9 O 1S 0.00514 -0.01315 0.00155 0.00006 -0.01774 165 2S -0.01758 0.04508 0.00205 0.00016 0.03178 166 3S -0.00613 0.01524 -0.05607 -0.00348 0.25417 167 4PX 0.00898 -0.02122 -0.01493 -0.05847 0.01909 168 4PY 0.02339 -0.06045 -0.02883 0.00811 0.09483 169 4PZ 0.00751 -0.02069 -0.01532 0.04052 0.00315 170 5PX 0.00042 0.01057 -0.01458 -0.04588 -0.00014 171 5PY 0.01974 -0.05252 -0.02034 0.00644 0.09793 172 5PZ -0.01227 0.02380 -0.01565 0.03019 -0.02489 111 112 113 114 115 V V V V V EIGENVALUES -- 0.19106 0.19731 0.21666 0.23456 0.24325 1 1 Cu 1S -0.00044 -0.00207 0.00896 -0.00009 -0.00018 2 2S -0.00219 -0.00161 0.06161 -0.00045 -0.00081 3 3S -0.01438 1.32807 -0.94973 0.04081 0.01845 4 4PX 0.06247 0.03540 0.00245 -0.02646 -0.02118 5 4PY -0.01043 -0.04477 0.03178 0.00346 0.00329 6 4PZ -0.04404 0.05831 -0.00271 0.01974 0.01490 7 5PX -0.91809 -0.67365 0.03603 0.57447 0.71012 8 5PY 0.15118 0.51824 -0.50542 -0.07779 -0.11166 9 5PZ 0.64757 -1.04554 0.14825 -0.43264 -0.50448 10 6PX 1.62841 0.41279 0.07064 -0.34211 -1.54578 11 6PY -0.26013 -1.05659 0.93056 0.02932 0.23288 12 6PZ -1.14425 0.75953 -0.08177 0.24552 1.08286 13 7D 0 -0.07141 0.05601 -0.04564 0.03064 0.09358 14 7D+1 0.02495 0.05273 -0.00425 -0.00531 -0.04148 15 7D-1 -0.02627 0.03444 0.01935 0.04512 -0.00542 16 7D+2 0.05114 0.07041 -0.06801 -0.03214 -0.04678 17 7D-2 0.01986 0.00942 0.03330 -0.05470 0.03219 18 8D 0 -0.01581 0.01146 -0.00711 0.01579 0.02803 19 8D+1 0.00571 0.01401 -0.00231 -0.00611 -0.01065 20 8D-1 -0.00642 0.00916 0.01362 0.00230 0.00987 21 8D+2 0.01101 0.01294 -0.00624 -0.00886 -0.01878 22 8D-2 0.00454 0.00416 0.01115 0.00066 -0.00611 23 2 Cu 1S 0.00570 -0.00673 0.01142 0.00281 -0.00241 24 2S 0.02939 -0.07637 0.02739 -0.00951 -0.00215 25 3S 0.24625 -1.68772 -0.22123 -1.55585 0.63853 26 4PX -0.08135 -0.02157 0.00312 -0.03290 0.00973 27 4PY 0.00811 0.00651 -0.01823 0.03842 0.06355 28 4PZ -0.03246 0.03253 -0.02256 0.02467 0.06182 29 5PX 1.12129 0.17680 -0.07296 0.74677 -0.22481 30 5PY -0.07413 -0.02790 0.10780 -0.64048 -1.35525 31 5PZ 0.43253 -0.56193 0.45517 -0.40336 -1.26756 32 6PX -2.49723 -0.62223 -0.11328 -0.81045 0.28786 33 6PY 0.40716 0.93065 -0.43337 1.69434 2.57040 34 6PZ -0.53592 -0.11922 -0.89139 0.30068 2.89007 35 7D 0 0.05196 -0.03755 0.01696 0.01093 -0.06620 36 7D+1 0.06529 -0.03634 -0.00601 0.02092 0.03223 37 7D-1 0.01117 -0.04480 -0.03869 -0.06674 0.00742 38 7D+2 -0.02966 0.01171 -0.00461 -0.05116 -0.02778 39 7D-2 0.00950 -0.03054 0.02845 -0.00780 0.03812 40 8D 0 0.01417 -0.01093 0.00939 -0.00037 -0.02656 41 8D+1 0.01857 -0.01269 -0.00379 0.00879 0.01133 42 8D-1 0.00289 -0.01783 -0.01774 -0.01628 0.00170 43 8D+2 -0.01177 0.00309 0.00031 -0.01637 -0.01202 44 8D-2 0.00417 -0.00711 0.00862 0.00147 0.01420 45 3 Cu 1S -0.00640 -0.00671 0.01142 -0.00351 0.00270 46 2S -0.03383 -0.07622 0.02786 0.00500 0.00341 47 3S -0.27764 -1.68519 -0.21328 1.49580 -0.65504 48 4PX 0.00130 0.03889 -0.02623 -0.03913 -0.06678 49 4PY 0.00182 -0.00151 -0.01451 -0.02736 -0.05462 50 4PZ 0.09236 -0.00803 -0.00227 0.02770 -0.02192 51 5PX -0.00856 -0.59042 0.46748 0.70365 1.36780 52 5PY -0.06358 0.07138 0.03948 0.41927 1.17596 53 5PZ -1.26996 -0.04588 0.06903 -0.65651 0.46621 54 6PX -0.39771 0.28504 -0.90852 -0.85969 -3.10147 55 6PY 0.02850 0.82402 -0.36435 -1.41492 -2.13716 56 6PZ 2.67555 -0.70802 -0.31205 0.88761 -0.92929 57 7D 0 0.00838 0.01022 -0.01453 0.02269 -0.01015 58 7D+1 -0.08445 -0.05692 0.01460 -0.03943 -0.00295 59 7D-1 0.01210 -0.03381 0.00931 0.04942 -0.03109 60 7D+2 -0.00565 -0.01901 -0.00769 0.04163 0.07765 61 7D-2 -0.02188 -0.03477 -0.04419 0.04072 -0.02577 62 8D 0 0.00504 0.00147 -0.00524 0.00608 -0.00285 63 8D+1 -0.02509 -0.01736 0.00520 -0.01260 -0.00023 64 8D-1 0.00349 -0.01004 0.00111 0.01030 -0.01102 65 8D+2 0.00031 -0.00723 0.00032 0.01569 0.03117 66 8D-2 -0.00652 -0.01508 -0.02018 0.00841 -0.00936 67 4 Cu 1S 0.00041 0.01189 -0.04678 0.00075 -0.00016 68 2S 0.00435 0.18382 -0.26481 0.00549 -0.00102 69 3S 0.02412 3.04766 5.11511 -0.01506 0.00344 70 4PX -0.00178 -0.02559 0.03801 0.10758 -0.01556 71 4PY 0.00013 0.00780 0.02777 -0.01735 0.00240 72 4PZ -0.00023 -0.03633 0.04532 -0.07710 0.01099 73 5PX -0.06952 0.28623 -0.06849 -1.91976 0.31921 74 5PY 0.02228 -0.09585 -2.06046 0.32520 -0.05440 75 5PZ 0.06254 0.40515 0.43061 1.34886 -0.22219 76 6PX -0.40214 -1.21664 -0.07580 2.07153 -0.27388 77 6PY 0.05502 0.09576 3.15326 -0.34409 0.04149 78 6PZ 0.25935 -1.67953 -0.92279 -1.46850 0.18671 79 7D 0 -0.02792 0.00301 0.03258 -0.06212 0.00843 80 7D+1 0.01239 0.02076 0.02003 0.02198 -0.00278 81 7D-1 0.00150 -0.05785 -0.03983 -0.03208 0.00545 82 7D+2 0.01106 -0.02913 0.03201 0.04505 -0.00669 83 7D-2 -0.00992 -0.02975 -0.03600 0.02758 -0.00519 84 8D 0 -0.00376 0.00086 0.00649 -0.01989 0.00298 85 8D+1 0.00186 0.01097 0.02387 0.00713 -0.00090 86 8D-1 0.00127 -0.02903 -0.06419 -0.00673 0.00268 87 8D+2 0.00092 -0.01576 -0.02506 0.01360 -0.00284 88 8D-2 -0.00298 -0.01446 -0.03448 0.00486 -0.00323 89 5 Cu 1S 0.00721 -0.00504 -0.00227 0.00306 0.00178 90 2S 0.03954 -0.01244 0.02254 0.03856 0.00127 91 3S 0.63088 0.50695 -1.38538 1.32345 -0.57587 92 4PX 0.04883 0.04893 -0.00449 -0.00266 0.02076 93 4PY 0.00212 -0.00828 -0.02449 -0.00317 0.01900 94 4PZ 0.00853 0.03118 0.01321 -0.04450 0.01038 95 5PX -0.75994 -0.82534 0.13324 0.08573 -0.65978 96 5PY 0.03523 0.18827 0.39423 -0.07951 -0.61211 97 5PZ -0.12537 -0.35719 -0.51980 1.18964 -0.33316 98 6PX 1.08951 0.96906 0.18380 -0.20855 1.37903 99 6PY 0.33686 0.61331 -0.98126 0.84119 0.79742 100 6PZ 0.34322 0.40134 0.38555 -1.33778 0.35703 101 7D 0 -0.00753 -0.05404 -0.01462 0.10978 -0.00572 102 7D+1 0.00147 -0.02087 0.01291 -0.01270 0.03589 103 7D-1 -0.02941 0.02785 0.02724 0.05834 -0.00379 104 7D+2 0.02748 0.05627 -0.02894 0.01095 0.09442 105 7D-2 -0.07025 -0.01542 -0.01907 0.00546 -0.03350 106 8D 0 -0.00743 -0.00658 -0.02983 0.03868 -0.00552 107 8D+1 -0.00142 -0.00559 0.00704 -0.01445 0.00088 108 8D-1 -0.00097 0.00441 0.00570 0.00642 -0.01054 109 8D+2 0.00775 0.01223 -0.00762 -0.00042 0.03627 110 8D-2 -0.01401 -0.00751 -0.00430 -0.00086 -0.00931 111 6 Cu 1S 0.00019 -0.00939 0.00907 -0.00020 -0.00010 112 2S 0.00042 -0.08317 0.01421 -0.00108 -0.00026 113 3S -0.03635 -1.58266 -0.39210 -0.00993 0.02352 114 4PX 0.03632 0.00398 0.00487 -0.03877 0.07729 115 4PY -0.00152 -0.07128 0.00514 0.00556 -0.01204 116 4PZ -0.02545 0.01972 0.00715 0.02748 -0.05451 117 5PX -0.52840 -0.06533 -0.06214 0.55238 -1.55305 118 5PY 0.02281 1.14557 0.00499 -0.07893 0.24252 119 5PZ 0.36418 -0.32075 -0.10061 -0.39280 1.09834 120 6PX 0.46665 -0.51669 -0.02225 -1.04919 3.37782 121 6PY 0.04779 -1.57667 -0.26522 0.15565 -0.52950 122 6PZ -0.34932 -0.42146 0.09575 0.73102 -2.36784 123 7D 0 0.03418 -0.00108 -0.00168 -0.00358 0.07064 124 7D+1 -0.02372 0.07453 0.00565 0.00251 -0.02615 125 7D-1 -0.06434 0.03709 0.00917 0.00297 0.02931 126 7D+2 0.00992 -0.03986 -0.00406 0.00064 -0.04973 127 7D-2 0.09359 0.04884 0.00827 -0.00426 -0.02227 128 8D 0 0.00740 0.00101 0.00070 -0.00615 0.02769 129 8D+1 -0.00580 0.02509 0.00356 0.00227 -0.01008 130 8D-1 -0.01951 0.01124 0.00663 -0.00334 0.01273 131 8D+2 0.00468 -0.01177 0.00084 0.00460 -0.01998 132 8D-2 0.02731 0.01503 0.00488 0.00292 -0.01022 133 7 Cu 1S -0.00687 -0.00494 -0.00277 -0.00279 -0.00173 134 2S -0.03789 -0.01180 0.02016 -0.03695 -0.00105 135 3S -0.56770 0.48646 -1.43432 -1.28093 0.54775 136 4PX 0.00726 0.01095 0.01075 0.04045 -0.00668 137 4PY -0.01560 -0.00232 -0.02679 -0.00224 -0.02094 138 4PZ -0.04938 0.05593 0.00464 0.01780 -0.02006 139 5PX -0.12462 -0.02236 -0.48850 -1.04610 0.21604 140 5PY 0.17799 0.05922 0.48516 0.21882 0.67097 141 5PZ 0.77361 -0.89197 -0.12644 -0.51157 0.64013 142 6PX -0.02924 0.16441 0.14534 1.00848 -0.05669 143 6PY -0.58881 0.73885 -1.00573 -0.93828 -0.98822 144 6PZ -1.15631 0.90913 0.49188 0.77896 -1.27251 145 7D 0 -0.04665 0.04634 -0.00549 0.04078 -0.09781 146 7D+1 0.02524 -0.06458 0.00177 -0.04725 0.00855 147 7D-1 0.05997 0.02173 -0.01623 -0.02040 0.00173 148 7D+2 -0.01988 0.00754 -0.01678 -0.10533 -0.03849 149 7D-2 0.01510 0.02114 0.04229 -0.01993 0.00849 150 8D 0 -0.01157 0.00884 0.00913 0.02097 -0.03149 151 8D+1 0.01065 -0.01286 -0.01074 -0.01025 0.01361 152 8D-1 0.00901 0.00024 -0.00244 0.00108 -0.00023 153 8D+2 -0.00252 0.00628 -0.02557 -0.03349 -0.01218 154 8D-2 -0.00115 0.00278 0.01590 0.00589 0.01441 155 8 C 1S 0.00092 0.05698 0.01522 0.00037 -0.00003 156 2S -0.00201 -0.13635 -0.00452 -0.00060 0.00006 157 3S -0.01267 -0.84767 -0.56037 -0.00739 0.00066 158 4PX 0.04664 0.01891 -0.00061 0.09175 -0.00290 159 4PY -0.01022 -0.04547 -0.09756 -0.01607 0.00003 160 4PZ -0.03542 0.03963 0.02790 -0.06598 0.00164 161 5PX -0.02655 0.07590 0.59724 0.33624 -0.06068 162 5PY 0.00910 -0.22384 -1.53368 -0.03645 0.00605 163 5PZ 0.01585 0.16129 1.20898 -0.25450 0.04620 164 9 O 1S -0.00042 -0.01078 0.06080 -0.00108 0.00021 165 2S 0.00080 0.03316 -0.08551 0.00169 -0.00026 166 3S 0.00578 0.05821 -1.01253 0.01722 -0.00348 167 4PX -0.01953 0.01433 0.01855 -0.07305 0.01011 168 4PY 0.00603 0.05739 -0.11603 0.01370 -0.00182 169 4PZ 0.01496 0.00451 0.05540 0.05013 -0.00680 170 5PX -0.00049 -0.01993 -0.06382 -0.07710 0.01328 171 5PY 0.00236 0.09992 -0.12850 0.01711 -0.00284 172 5PZ 0.00015 -0.05345 -0.05642 0.05491 -0.00909 116 117 118 119 120 V V V V V EIGENVALUES -- 0.24917 0.26816 0.27435 0.27842 0.30483 1 1 Cu 1S -0.00254 0.00764 -0.00034 0.00224 -0.00804 2 2S 0.02695 -0.08859 -0.00595 0.13444 -0.12638 3 3S 2.51141 -4.21094 -0.22654 6.71980 -3.29391 4 4PX 0.00480 -0.03354 0.02564 0.05444 -0.02650 5 4PY 0.03877 -0.06829 -0.00614 0.04660 -0.03849 6 4PZ -0.00123 -0.03312 -0.02176 0.06495 -0.02861 7 5PX -0.10371 0.71945 -0.60680 -1.52921 0.88982 8 5PY -1.14252 1.45991 0.14311 -1.18886 0.75728 9 5PZ 0.09165 0.70916 0.53051 -1.86213 1.00833 10 6PX -0.42695 0.52076 -0.24348 -0.24104 0.43701 11 6PY 0.75678 0.03604 0.07611 -1.08025 0.04032 12 6PZ -0.77960 0.72188 0.18483 -0.08703 0.57824 13 7D 0 -0.05102 0.02705 -0.01248 0.02065 -0.00060 14 7D+1 -0.01718 -0.01820 -0.00368 0.05229 0.01022 15 7D-1 0.02457 -0.05521 -0.04947 0.05775 0.02794 16 7D+2 -0.06517 0.04023 0.02638 0.02009 -0.00932 17 7D-2 0.03544 -0.05441 0.06150 0.04515 0.02404 18 8D 0 -0.01883 -0.00060 -0.01250 0.01294 -0.01121 19 8D+1 0.00342 -0.00272 0.00355 0.03189 -0.01944 20 8D-1 -0.00164 -0.01532 -0.00353 0.01725 -0.01922 21 8D+2 -0.03431 -0.00400 0.00688 0.00623 -0.01510 22 8D-2 0.00992 -0.01015 0.00039 0.01394 -0.01281 23 2 Cu 1S -0.01084 -0.00302 -0.00591 0.00734 -0.00603 24 2S -0.08017 0.00796 0.06438 -0.02685 -0.05409 25 3S -2.17469 1.59103 5.47101 -3.39983 -1.46427 26 4PX -0.01899 -0.01106 0.00185 -0.00758 -0.03223 27 4PY -0.04976 -0.00370 0.05225 0.00171 -0.03341 28 4PZ -0.01823 0.00303 -0.02819 0.04524 -0.01581 29 5PX 0.39735 0.36972 0.00233 0.19368 1.37260 30 5PY 1.05690 0.06986 -1.47081 -0.35500 1.10655 31 5PZ 0.18856 -0.15049 0.57526 -1.40893 1.23812 32 6PX -0.19309 0.28960 -0.55071 0.19387 0.23107 33 6PY -0.30820 0.18366 -0.21277 0.52985 0.54822 34 6PZ -1.07245 0.07296 0.43451 -0.15676 0.25043 35 7D 0 0.01573 -0.00712 -0.01173 -0.05750 0.11228 36 7D+1 0.00554 0.04162 -0.03687 -0.01447 -0.02856 37 7D-1 -0.02179 0.08848 0.02386 -0.03056 -0.02377 38 7D+2 0.02169 0.00477 -0.06198 -0.01074 -0.03520 39 7D-2 -0.01325 -0.03777 0.00531 -0.04463 -0.05052 40 8D 0 0.00822 0.00539 -0.00851 -0.03462 0.03153 41 8D+1 -0.00336 0.00499 -0.00909 -0.01538 0.00337 42 8D-1 -0.00175 0.03194 0.00570 -0.00538 -0.00639 43 8D+2 0.00505 -0.02067 -0.02411 -0.01096 -0.00920 44 8D-2 -0.01206 -0.00755 -0.00785 -0.01918 -0.02601 45 3 Cu 1S -0.01085 -0.00332 0.00465 0.00758 -0.00281 46 2S -0.07910 0.00629 -0.06588 -0.03316 -0.01721 47 3S -2.09398 1.60198 -5.23385 -3.83117 -0.48824 48 4PX -0.02140 0.00579 0.01289 0.04678 -0.02269 49 4PY -0.04903 -0.00633 -0.05540 -0.01014 -0.02756 50 4PZ -0.01618 -0.00898 0.01466 0.00927 -0.02511 51 5PX 0.27558 -0.24841 -0.13366 -1.46916 1.27818 52 5PY 1.06315 0.15773 1.52814 0.00627 0.99169 53 5PZ 0.27262 0.28853 -0.38601 -0.27946 1.35388 54 6PX -0.99563 0.01234 -0.53586 -0.12977 0.36637 55 6PY -0.19927 0.22721 0.34032 0.62265 0.44422 56 6PZ -0.50709 0.27174 0.31567 0.05974 0.19327 57 7D 0 0.01804 0.02969 0.06363 0.01937 -0.06389 58 7D+1 0.00449 0.01178 0.02121 -0.04664 0.03307 59 7D-1 -0.01330 -0.00152 0.00742 -0.04752 -0.06659 60 7D+2 0.01735 0.02386 0.02641 -0.04049 0.08743 61 7D-2 -0.02306 0.09698 -0.02894 -0.00414 -0.03527 62 8D 0 0.00189 -0.01495 0.01831 0.00044 -0.00907 63 8D+1 -0.00221 0.00853 0.00972 -0.03123 0.01382 64 8D-1 -0.01011 -0.00278 0.01221 -0.01759 -0.02851 65 8D+2 0.01192 0.00458 0.01321 -0.02214 0.02425 66 8D-2 -0.00220 0.03511 -0.01351 0.00664 -0.00541 67 4 Cu 1S 0.03887 0.05557 0.00118 -0.01208 -0.01353 68 2S 0.26144 0.48103 0.00762 -0.07604 -0.11098 69 3S -1.14255 9.80610 -0.02690 0.78062 -0.45914 70 4PX 0.05086 0.03048 -0.00125 0.00532 -0.04581 71 4PY 0.09463 -0.03886 0.00006 0.01303 0.01260 72 4PZ 0.05174 0.05141 0.00099 0.00545 -0.06074 73 5PX -1.27996 -0.92318 0.51461 -0.36475 1.49328 74 5PY -0.55331 1.03695 -0.05511 -0.73171 -0.19352 75 5PZ -1.71051 -1.51602 -0.34739 -0.40907 1.91611 76 6PX 0.83269 -0.90993 1.54505 -0.95763 -0.30917 77 6PY 0.44637 0.17099 -0.18562 -1.56971 -0.77588 78 6PZ 1.11149 -1.28820 -1.03301 -1.14922 -0.18227 79 7D 0 0.00732 -0.00568 0.03174 -0.00482 -0.05546 80 7D+1 -0.03001 -0.01237 -0.00421 -0.07066 -0.04803 81 7D-1 -0.03456 0.02203 0.04635 -0.02006 -0.00501 82 7D+2 0.02121 0.00592 -0.03811 0.02975 -0.07753 83 7D-2 -0.03337 0.01294 -0.05524 -0.03550 0.02092 84 8D 0 0.00721 -0.00764 0.00716 -0.00141 -0.01281 85 8D+1 -0.01136 -0.02056 0.00073 -0.02137 -0.00892 86 8D-1 0.02605 0.02638 0.02122 -0.01526 -0.01885 87 8D+2 0.02828 0.00992 -0.01273 0.00621 -0.02491 88 8D-2 0.00870 0.01407 -0.02566 -0.01660 -0.00399 89 5 Cu 1S 0.00362 0.01578 -0.00341 0.00822 0.00634 90 2S -0.00109 -0.06528 -0.11645 -0.03127 0.02200 91 3S 0.74441 -5.40510 -5.27545 -3.99676 -0.87944 92 4PX -0.00766 -0.03474 -0.03654 -0.05353 -0.00216 93 4PY -0.02566 0.04056 0.06985 0.02012 -0.00553 94 4PZ 0.01569 0.06684 0.02963 0.00893 0.00780 95 5PX 0.13707 0.89823 0.98946 1.52448 0.47861 96 5PY 0.74614 -0.92969 -1.91348 -0.63959 0.28685 97 5PZ -0.44774 -1.61946 -0.72132 -0.37209 0.11535 98 6PX -0.02030 0.64082 0.09625 0.58736 0.26099 99 6PY 0.00381 -0.46330 -0.32895 0.12283 0.18218 100 6PZ 0.74647 -0.24948 -1.02763 -0.55554 -0.28413 101 7D 0 -0.08614 -0.04976 0.04314 0.05207 0.02488 102 7D+1 0.07509 0.05862 -0.01094 0.06096 -0.01262 103 7D-1 0.02411 -0.06207 -0.05871 0.02002 -0.01663 104 7D+2 -0.02820 0.00296 0.02292 -0.02683 -0.05469 105 7D-2 -0.00307 0.02487 0.04733 0.03865 0.00737 106 8D 0 -0.01267 0.00068 0.01087 0.00239 0.00342 107 8D+1 0.00348 0.01860 0.00572 0.01142 0.00112 108 8D-1 -0.00360 -0.01709 -0.01291 -0.00460 0.01716 109 8D+2 -0.01343 -0.00330 0.01686 -0.01085 -0.01495 110 8D-2 0.00110 0.00829 0.02649 0.02179 0.01188 111 6 Cu 1S -0.02094 -0.01186 -0.00037 0.00155 0.02410 112 2S -0.08612 -0.04067 -0.00504 0.12236 0.28780 113 3S 1.26143 2.13398 -0.22086 7.32687 7.80978 114 4PX 0.00382 0.00820 -0.04130 -0.04324 -0.07097 115 4PY -0.04101 0.01127 0.00564 0.01278 -0.03902 116 4PZ 0.01387 0.00898 0.03209 -0.06112 -0.08788 117 5PX 0.02488 -0.15954 1.29375 1.07520 1.94688 118 5PY 1.11462 -0.40602 -0.17641 -0.41159 1.18667 119 5PZ -0.19615 -0.12661 -0.98304 1.51909 2.27756 120 6PX 0.19334 -0.08687 -0.55733 0.55784 0.65243 121 6PY -0.87605 -0.39863 0.07392 -0.03737 0.14851 122 6PZ 0.45064 -0.04715 0.35640 0.84211 0.83543 123 7D 0 -0.05075 -0.03877 -0.06352 0.01709 0.01762 124 7D+1 -0.04288 -0.08631 0.03174 -0.01254 0.03751 125 7D-1 0.06506 -0.00996 0.03018 0.01496 0.03962 126 7D+2 -0.03491 -0.01003 0.01814 0.04515 0.03601 127 7D-2 0.05348 -0.01355 -0.05715 -0.00747 0.02611 128 8D 0 -0.01013 -0.00099 -0.02761 0.00518 0.00444 129 8D+1 -0.00709 -0.03208 0.01491 -0.00880 0.02144 130 8D-1 0.01541 -0.00380 0.01798 0.00108 0.01579 131 8D+2 -0.00742 0.01814 0.00605 0.01658 0.00277 132 8D-2 0.01287 -0.01177 -0.03183 -0.00710 0.01438 133 7 Cu 1S 0.00391 0.01610 0.00294 0.00815 0.00838 134 2S -0.00007 -0.06468 0.11801 -0.02376 0.03753 135 3S 0.69852 -5.46322 5.51394 -3.58028 -0.79555 136 4PX 0.01184 0.08129 -0.05410 0.02529 0.00384 137 4PY -0.02792 0.02328 -0.05719 0.00365 -0.00834 138 4PZ 0.00140 -0.01510 0.03716 -0.04692 0.00329 139 5PX -0.31634 -1.98572 1.41033 -0.84826 0.09998 140 5PY 0.80098 -0.50321 1.58311 -0.14945 0.35565 141 5PZ -0.12372 0.40996 -1.03423 1.30749 0.37763 142 6PX 0.69268 -0.53476 1.09889 -0.60590 -0.31481 143 6PY 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0.12665 -0.15446 163 5PZ -0.42630 0.01867 0.10436 0.20100 0.20622 164 9 O 1S -0.03917 0.00955 0.00019 0.00115 -0.01103 165 2S 0.04269 -0.03314 -0.00073 -0.00393 0.03261 166 3S 0.71584 -0.04588 -0.00068 0.00518 0.11600 167 4PX -0.03632 -0.00538 0.02620 0.00929 0.00668 168 4PY 0.02783 0.01946 -0.00317 0.00534 0.08096 169 4PZ -0.05851 -0.01027 -0.01831 0.01228 -0.01601 170 5PX -0.04146 0.01017 0.00184 -0.02190 -0.00842 171 5PY 0.06242 -0.00200 -0.00073 -0.01412 0.12618 172 5PZ -0.07997 0.01370 0.00046 -0.02967 -0.04659 121 122 123 124 125 V V V V V EIGENVALUES -- 0.30910 0.34010 0.39552 0.41169 0.54056 1 1 Cu 1S 0.00040 0.00105 -0.00017 0.02475 -0.01162 2 2S 0.00913 0.00575 -0.00164 0.02872 -0.01964 3 3S 0.26543 -0.58525 -0.03450 -2.07050 -0.34511 4 4PX -0.00277 0.00332 -0.00698 -0.00455 -0.00334 5 4PY 0.00348 -0.02067 0.00021 -0.01114 0.00134 6 4PZ 0.00577 0.00882 0.00462 -0.00402 -0.00514 7 5PX 0.56567 0.06392 0.35017 0.16966 -0.01021 8 5PY -0.16504 -0.45852 -0.04958 0.55504 0.10622 9 5PZ -0.52556 0.22745 -0.22913 0.12230 -0.03682 10 6PX 0.09298 0.31557 -0.63042 -0.32022 0.04684 11 6PY -0.01174 0.35474 0.09661 0.81509 0.05438 12 6PZ -0.12749 0.34766 0.46491 -0.64991 0.05270 13 7D 0 0.05505 -0.01978 0.03716 0.02092 -0.02016 14 7D+1 -0.02417 0.01444 -0.01523 0.02516 -0.01484 15 7D-1 -0.00086 -0.00232 0.00511 0.00179 -0.00447 16 7D+2 -0.03021 -0.04020 -0.02214 0.01797 -0.02465 17 7D-2 0.01088 0.01174 0.00293 -0.00202 0.00254 18 8D 0 0.02026 -0.02910 -0.00551 -0.00620 0.03105 19 8D+1 -0.00535 -0.01553 0.00224 -0.02152 0.02510 20 8D-1 0.01393 -0.00308 0.00265 0.00193 0.01721 21 8D+2 -0.01469 -0.03713 0.00059 0.00534 0.03955 22 8D-2 -0.01063 0.00861 -0.00548 -0.00237 0.00308 23 2 Cu 1S -0.01677 -0.00541 -0.00352 -0.00487 0.03163 24 2S -0.22296 0.14071 -0.09122 -0.00564 0.04516 25 3S -6.68333 6.67291 -3.82599 0.04409 -0.38069 26 4PX -0.06645 0.03370 -0.01068 0.00199 -0.00534 27 4PY -0.03436 0.04953 -0.03003 -0.00003 0.00085 28 4PZ 0.06896 -0.04161 0.02897 0.00473 0.00205 29 5PX 2.12296 -0.60574 0.53785 0.30378 0.00262 30 5PY 0.40181 -2.39776 0.67182 -0.01158 0.08840 31 5PZ -2.05674 1.19785 -0.82388 0.22362 -0.14670 32 6PX 0.64580 -0.59472 0.37872 0.16096 0.00008 33 6PY 0.37527 -0.62444 0.67643 -0.55447 0.14210 34 6PZ -0.69790 0.31235 -0.34957 -0.62099 0.27179 35 7D 0 -0.03344 0.01476 0.00534 0.00205 0.00193 36 7D+1 0.06900 -0.00850 0.02459 -0.01566 0.04304 37 7D-1 0.00079 -0.07003 0.01964 0.00207 0.01621 38 7D+2 -0.06178 -0.08465 0.01552 -0.03455 -0.00670 39 7D-2 -0.00699 0.05420 0.00652 -0.02591 -0.03205 40 8D 0 -0.00584 -0.00619 -0.00544 0.01698 -0.01019 41 8D+1 0.02886 0.00625 0.00355 0.00847 -0.04846 42 8D-1 0.00507 -0.02433 -0.01011 -0.00644 -0.00832 43 8D+2 -0.01959 -0.02431 -0.01051 0.00323 0.02319 44 8D-2 -0.01110 0.00625 -0.00808 0.00031 0.03869 45 3 Cu 1S 0.01791 -0.00513 0.00318 -0.00460 0.03173 46 2S 0.23496 0.13267 0.09511 -0.00548 0.04512 47 3S 7.02679 6.22270 4.00811 -0.00219 -0.39647 48 4PX -0.07690 -0.03609 -0.02544 0.00378 0.00385 49 4PY 0.06369 0.05715 0.03655 -0.00066 -0.00065 50 4PZ 0.03674 0.00885 -0.00464 0.00360 -0.00445 51 5PX 2.34483 0.70163 0.82864 0.09830 -0.11950 52 5PY -1.36486 -2.52353 -0.93689 0.02905 0.11063 53 5PZ -1.40310 0.23862 -0.08467 0.36263 -0.06041 54 6PX 0.72388 0.30443 0.33467 -0.73840 0.27394 55 6PY -0.69829 -0.71726 -0.78458 -0.40824 0.10462 56 6PZ -0.35107 -0.31632 -0.13503 0.02246 0.06988 57 7D 0 0.00007 -0.07583 -0.02305 -0.02840 0.02484 58 7D+1 -0.05143 0.04282 -0.01549 -0.00757 0.02649 59 7D-1 0.03707 -0.00614 -0.01788 -0.03188 -0.02663 60 7D+2 0.05557 -0.06576 -0.01054 -0.00327 0.00000 61 7D-2 -0.03822 -0.05634 -0.01712 0.01407 0.03401 62 8D 0 -0.00496 -0.01058 0.00094 0.00222 -0.01569 63 8D+1 -0.02294 0.01155 -0.00107 0.01559 -0.03841 64 8D-1 0.01980 -0.01193 0.01362 -0.00334 0.04166 65 8D+2 0.01222 -0.02802 0.01058 0.00914 0.00427 66 8D-2 -0.02018 -0.01288 0.00203 -0.00826 -0.03286 67 4 Cu 1S 0.00051 0.01002 0.00056 0.00700 -0.07246 68 2S 0.00444 -0.01594 0.00346 0.05950 -0.20850 69 3S 0.02988 -2.83318 0.02005 0.39077 3.40753 70 4PX -0.04450 -0.02262 -0.01106 -0.02351 0.01441 71 4PY 0.00846 0.13424 0.00397 0.01204 -0.03058 72 4PZ 0.03718 -0.06420 0.00617 -0.03710 0.02730 73 5PX 1.64002 0.48469 0.82392 0.77786 -0.02391 74 5PY -0.31804 -4.25088 -0.18122 0.17681 -0.12177 75 5PZ -1.35197 1.74364 -0.54970 1.10416 -0.00224 76 6PX -0.34645 -0.28267 2.42221 1.70925 -0.27605 77 6PY 0.09588 -1.58456 -0.42345 2.44137 -0.69602 78 6PZ 0.26791 0.01432 -1.72231 1.98438 -0.22605 79 7D 0 0.09723 0.01281 -0.01084 0.00788 -0.03191 80 7D+1 -0.04062 0.00778 0.00312 0.00624 -0.08898 81 7D-1 -0.02294 -0.00831 -0.01300 -0.03046 0.13411 82 7D+2 -0.03167 0.01567 0.01029 -0.00065 0.05020 83 7D-2 0.05633 -0.01013 0.01272 -0.02034 0.07108 84 8D 0 0.02425 0.00649 -0.01895 0.02099 0.04795 85 8D+1 -0.01116 0.00880 0.01166 0.00967 0.13657 86 8D-1 -0.01164 0.00237 0.02370 0.03402 -0.21885 87 8D+2 -0.00484 0.00631 0.00046 0.03837 -0.08262 88 8D-2 0.02364 0.00041 -0.03562 0.01289 -0.11645 89 5 Cu 1S -0.01198 0.01540 0.02581 -0.01639 -0.02653 90 2S -0.10450 -0.03753 0.09975 -0.10392 -0.04075 91 3S -1.01690 -3.61687 0.11024 -1.42178 -0.51424 92 4PX -0.01883 -0.01427 0.00019 -0.01537 -0.00403 93 4PY 0.01966 0.02110 -0.00360 0.00347 0.00283 94 4PZ 0.01303 0.03182 -0.02280 0.03203 -0.00152 95 5PX 0.64642 0.32122 0.01184 0.55599 0.01171 96 5PY -0.31301 -0.97985 0.33756 -0.28767 0.03897 97 5PZ -0.49381 -0.63743 0.03940 -0.23423 -0.15634 98 6PX 0.27738 0.53965 -0.70733 -0.27373 0.01586 99 6PY -0.17354 0.00025 0.25712 -0.95812 0.21364 100 6PZ 0.22058 -0.23012 -0.30976 0.01334 -0.42432 101 7D 0 -0.03932 -0.01295 0.01378 -0.02034 0.05118 102 7D+1 -0.02958 0.01076 -0.00662 -0.00346 0.00240 103 7D-1 0.03592 0.02717 -0.01041 0.00944 0.00125 104 7D+2 -0.02035 0.02385 -0.03428 -0.02699 0.00560 105 7D-2 0.00242 -0.02999 -0.01755 0.02148 0.00904 106 8D 0 0.00099 0.01670 -0.03907 0.04301 -0.07404 107 8D+1 0.01371 -0.00511 0.00041 -0.00001 -0.00775 108 8D-1 -0.01105 -0.00886 0.02267 -0.02082 0.00980 109 8D+2 -0.01018 0.02220 0.01069 0.00271 -0.00812 110 8D-2 0.00707 0.02034 0.01189 0.00010 -0.02112 111 6 Cu 1S -0.00155 -0.00574 -0.00008 0.00320 0.03161 112 2S -0.02032 -0.02693 0.00168 0.12771 0.03959 113 3S -0.60480 -1.35461 0.06457 4.75535 -0.55983 114 4PX -0.02243 0.01150 0.00143 -0.02989 0.00452 115 4PY 0.00747 0.00570 -0.00033 0.00983 0.00730 116 4PZ 0.02604 0.01452 -0.00175 -0.04445 0.00482 117 5PX 1.39191 -0.25261 0.18189 0.87689 -0.13974 118 5PY -0.35612 -1.38487 -0.04504 -0.29818 -0.01688 119 5PZ -1.25194 -0.00008 -0.10073 1.31844 -0.19675 120 6PX 0.40193 -0.24038 -0.55256 0.52841 -0.00058 121 6PY -0.09887 -0.83857 0.07069 0.13751 0.21151 122 6PZ -0.38185 -0.15088 0.39905 0.69788 -0.05380 123 7D 0 -0.09776 0.04345 0.00692 0.03363 -0.02208 124 7D+1 0.03407 0.01325 -0.00670 0.02661 -0.04476 125 7D-1 -0.03797 -0.03842 -0.02806 -0.03057 -0.02805 126 7D+2 0.06440 0.04690 0.00938 0.02779 -0.01585 127 7D-2 0.01866 -0.04251 0.03867 -0.02786 -0.02034 128 8D 0 -0.02638 0.01022 -0.01245 -0.00468 0.01732 129 8D+1 0.00800 0.00220 0.00606 -0.00684 0.04761 130 8D-1 -0.01301 -0.04461 0.00425 0.01208 0.04222 131 8D+2 0.01848 -0.00001 0.00472 0.00021 0.01068 132 8D-2 0.00689 -0.03231 -0.01020 0.00789 0.03233 133 7 Cu 1S 0.01107 0.01572 -0.02519 -0.01595 -0.02772 134 2S 0.09707 -0.03789 -0.10488 -0.10455 -0.04273 135 3S 0.96382 -3.64547 -0.32828 -1.47013 -0.50777 136 4PX -0.02084 0.03787 0.02494 0.03564 0.00047 137 4PY -0.01157 0.01411 0.00047 -0.00424 0.00176 138 4PZ 0.01486 -0.00636 0.00724 -0.00375 -0.00442 139 5PX 0.67137 -0.91341 -0.16656 -0.46999 -0.14048 140 5PY 0.01253 -0.78507 -0.34626 -0.13265 0.06802 141 5PZ -0.51451 0.23237 0.04310 0.47434 -0.05298 142 6PX -0.05209 -0.36988 -0.02321 -0.10194 -0.35335 143 6PY 0.10323 0.13831 -0.13434 -0.98269 0.26631 144 6PZ -0.35270 0.40467 0.81416 -0.13917 -0.16695 145 7D 0 0.03102 0.03054 0.02937 -0.02041 -0.01339 146 7D+1 0.03754 -0.01516 -0.00988 -0.00345 0.03043 147 7D-1 -0.01116 -0.00855 0.03184 0.01580 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14 7D+1 -0.07195 0.00026 0.18446 -0.02116 0.14467 15 7D-1 0.11624 -0.03776 0.09943 0.01565 -0.03286 16 7D+2 -0.06901 -0.02722 -0.06380 -0.03863 -0.07748 17 7D-2 0.09670 -0.01596 0.10898 -0.01183 0.01187 18 8D 0 0.11279 -0.00445 -0.02042 -0.03509 -0.01748 19 8D+1 0.10158 -0.02879 -0.23777 0.01348 -0.20069 20 8D-1 -0.15743 0.02765 -0.11516 -0.01338 0.06248 21 8D+2 0.06885 0.02449 0.09212 0.02906 0.11079 22 8D-2 -0.12275 0.00526 -0.13452 0.01496 -0.00305 23 2 Cu 1S 0.02239 -0.03672 -0.02499 0.05794 0.01549 24 2S 0.05825 -0.06856 -0.03407 0.03637 0.04094 25 3S 1.06898 0.89714 0.05623 -2.82326 -0.15698 26 4PX 0.00015 -0.00206 0.00277 -0.00986 0.00452 27 4PY 0.00384 -0.00779 0.00523 -0.00839 -0.00024 28 4PZ -0.00461 0.00453 0.00541 0.01851 -0.00019 29 5PX -0.09661 0.17809 -0.26783 0.69564 -0.11552 30 5PY -0.32281 0.15040 -0.29131 0.23358 -0.02559 31 5PZ 0.08202 0.09272 -0.36778 -0.68649 -0.04202 32 6PX -0.26045 0.47033 -0.25344 0.67953 -0.05979 33 6PY -0.40356 0.17635 -0.45695 -0.21220 0.09990 34 6PZ -0.40505 0.20231 -0.79897 -0.18548 0.20841 35 7D 0 0.03582 -0.10985 0.14566 0.05843 0.04526 36 7D+1 0.08421 -0.13622 -0.16646 0.05334 -0.11107 37 7D-1 -0.10201 -0.05135 0.05755 0.10021 0.06947 38 7D+2 0.12346 0.13792 0.04732 0.08360 -0.02197 39 7D-2 -0.12676 0.05116 0.07876 -0.09298 -0.09998 40 8D 0 -0.05215 0.16150 -0.22679 -0.08072 -0.06440 41 8D+1 -0.12450 0.18379 0.23221 -0.05104 0.14881 42 8D-1 0.13488 0.10168 -0.07950 -0.13313 -0.10919 43 8D+2 -0.17292 -0.19516 -0.04916 -0.13488 0.03917 44 8D-2 0.18604 -0.08574 -0.10953 0.11687 0.13157 45 3 Cu 1S 0.02400 -0.03580 -0.02881 -0.05289 0.02128 46 2S 0.05990 -0.06639 -0.03628 -0.02499 0.04214 47 3S 0.99760 0.91167 0.26456 2.83683 -0.55237 48 4PX -0.00328 0.00300 0.00401 -0.01920 0.00135 49 4PY 0.00396 -0.00823 0.00587 0.01298 -0.00153 50 4PZ -0.00197 0.00061 0.00371 0.00139 0.00464 51 5PX 0.02668 0.06552 -0.25745 0.82294 -0.11675 52 5PY -0.32953 0.16088 -0.31826 -0.46062 0.02933 53 5PZ -0.01178 0.18073 -0.35818 -0.35037 -0.08804 54 6PX -0.37233 0.06227 -0.70408 0.49273 0.17729 55 6PY -0.37802 0.22405 -0.36903 0.06094 0.06448 56 6PZ -0.31274 0.48572 -0.49233 -0.56236 0.07019 57 7D 0 0.16552 0.05197 -0.13448 -0.08179 -0.06599 58 7D+1 0.02625 -0.18514 -0.04146 -0.02671 -0.07440 59 7D-1 -0.11423 0.08403 0.10360 0.01335 -0.05571 60 7D+2 0.06450 -0.00519 0.16156 -0.12044 0.11512 61 7D-2 -0.07340 -0.10386 -0.05926 -0.08670 0.07685 62 8D 0 -0.23564 -0.08028 0.20680 0.11069 0.09978 63 8D+1 -0.04000 0.25374 0.03878 0.01815 0.09742 64 8D-1 0.16501 -0.12072 -0.13516 -0.00416 0.06843 65 8D+2 -0.09478 0.02701 -0.23377 0.17800 -0.15883 66 8D-2 0.09318 0.17157 0.08255 0.10138 -0.11650 67 4 Cu 1S -0.03492 0.02939 0.00955 -0.00141 -0.01073 68 2S -0.06822 0.07251 -0.00805 0.00174 0.00720 69 3S 0.01528 2.78386 1.47204 -0.19180 -2.00264 70 4PX -0.00600 0.00534 0.01885 -0.01417 0.00310 71 4PY 0.02589 -0.00920 -0.00694 0.00343 0.01565 72 4PZ -0.01455 0.00960 0.02941 0.00824 0.00034 73 5PX 0.01553 -0.01158 -0.33807 0.61281 -0.24381 74 5PY -0.55243 0.26513 -0.32902 -0.08619 -0.14287 75 5PZ 0.15701 -0.07593 -0.45771 -0.44579 -0.25216 76 6PX 0.16631 -0.16513 0.05732 -0.02808 -0.35953 77 6PY 0.56598 -0.28538 0.63387 -0.14912 -1.66747 78 6PZ 0.11921 -0.17320 -0.05891 0.01619 -0.16175 79 7D 0 -0.07839 0.06982 -0.08911 -0.17607 0.05064 80 7D+1 -0.03784 0.13075 0.04771 0.09390 0.16134 81 7D-1 0.07453 -0.01591 0.02225 0.03134 0.00063 82 7D+2 -0.08449 0.02058 -0.15579 0.07818 -0.04793 83 7D-2 0.07756 -0.00628 0.06659 -0.09667 0.04971 84 8D 0 0.11745 -0.10082 0.13993 0.26398 -0.08216 85 8D+1 0.06003 -0.20712 -0.06453 -0.14376 -0.26225 86 8D-1 -0.11035 0.04660 -0.04612 -0.04844 0.00153 87 8D+2 0.12449 -0.00896 0.23582 -0.11662 0.07436 88 8D-2 -0.11425 0.01712 -0.10892 0.15002 -0.07602 89 5 Cu 1S 0.05452 0.16037 0.04965 0.04908 -0.03757 90 2S 0.08857 0.30643 0.09279 0.05481 -0.09104 91 3S -0.77515 -2.62521 -0.99123 -0.89168 0.23645 92 4PX 0.00028 -0.00309 0.00139 -0.00614 -0.00279 93 4PY 0.00740 0.00189 0.00197 0.00671 -0.00159 94 4PZ -0.00486 0.00387 0.00090 -0.00141 0.00179 95 5PX 0.02411 0.45481 -0.01374 0.36102 0.12439 96 5PY -0.28747 -0.29244 -0.18002 -0.17901 0.06935 97 5PZ -0.00758 -0.28540 -0.26603 -0.18978 -0.00151 98 6PX 0.12890 0.26028 0.21052 -0.13336 0.01346 99 6PY -0.11858 -0.31572 -0.06413 0.02513 0.45031 100 6PZ 0.12744 -0.39171 0.30190 0.21363 -0.10806 101 7D 0 0.02110 -0.02561 -0.03969 0.00675 -0.08014 102 7D+1 -0.05002 -0.09039 0.01792 0.11462 -0.08361 103 7D-1 0.01557 0.03893 -0.16505 -0.15852 -0.02616 104 7D+2 0.08934 -0.00091 0.02797 -0.01789 0.00459 105 7D-2 0.16177 0.06196 -0.02264 0.13794 0.08630 106 8D 0 -0.00957 0.06078 0.03898 -0.01994 0.10969 107 8D+1 0.07358 0.14508 -0.00845 -0.15737 0.13606 108 8D-1 -0.03022 -0.07589 0.22778 0.22250 0.04095 109 8D+2 -0.10327 -0.01248 -0.01357 0.00673 -0.01992 110 8D-2 -0.21665 -0.05369 0.03233 -0.17530 -0.12659 111 6 Cu 1S 0.05186 -0.05668 -0.01152 0.00082 0.02124 112 2S 0.06323 -0.06079 -0.08261 0.00434 0.04556 113 3S -0.82145 3.12462 -1.54873 0.09341 0.12576 114 4PX 0.00560 -0.00830 0.00981 -0.01024 -0.00650 115 4PY 0.00181 0.00515 0.00170 0.00178 0.00705 116 4PZ 0.00764 -0.01282 0.01394 0.00542 -0.01232 117 5PX -0.18073 0.34323 -0.34676 0.54006 0.02511 118 5PY -0.25452 -0.09559 -0.26108 -0.09009 -0.21329 119 5PZ -0.19697 0.50667 -0.47306 -0.34054 0.15092 120 6PX -0.02541 0.06816 -0.07240 0.53735 0.01269 121 6PY -0.50264 -0.01831 -0.76027 -0.05520 0.22284 122 6PZ 0.07928 0.10688 0.01950 -0.36810 0.02688 123 7D 0 -0.11365 0.03705 -0.00500 0.14476 0.03018 124 7D+1 0.00363 0.23985 -0.06612 -0.05344 0.06982 125 7D-1 -0.13505 0.05189 0.02359 -0.00400 -0.14622 126 7D+2 -0.22943 -0.07777 0.03039 -0.08262 -0.02904 127 7D-2 -0.02534 0.09040 0.00028 0.02428 -0.09852 128 8D 0 0.16210 -0.04868 0.00288 -0.22019 -0.03169 129 8D+1 -0.01042 -0.34710 0.07706 0.08125 -0.09690 130 8D-1 0.17538 -0.06151 -0.04751 -0.00500 0.19581 131 8D+2 0.32525 0.12577 -0.04188 0.13102 0.05059 132 8D-2 0.02354 -0.12464 -0.01200 -0.02521 0.12658 133 7 Cu 1S 0.05528 0.16153 0.04567 -0.05145 -0.03339 134 2S 0.08979 0.30770 0.08788 -0.06393 -0.08579 135 3S -0.76898 -2.65317 -0.92040 0.89165 0.19794 136 4PX -0.00322 0.00516 0.00068 -0.00166 0.00180 137 4PY 0.00813 0.00058 0.00187 -0.00549 -0.00187 138 4PZ -0.00267 -0.00174 0.00187 0.00684 -0.00256 139 5PX -0.07390 -0.47376 -0.25413 0.32319 -0.04487 140 5PY -0.27082 -0.15523 -0.13714 0.07314 0.09527 141 5PZ 0.06309 0.36444 -0.09777 -0.26232 0.13958 142 6PX 0.05496 -0.50175 0.17388 -0.26662 0.01756 143 6PY -0.09958 -0.20796 -0.04890 0.10282 0.45183 144 6PZ 0.17755 0.15026 0.31528 0.03073 -0.09456 145 7D 0 -0.00699 -0.05797 0.05954 -0.03695 -0.03775 146 7D+1 -0.01198 -0.06851 -0.01968 -0.14619 -0.07022 147 7D-1 0.17771 0.07893 -0.07059 -0.03380 0.07120 148 7D+2 0.03312 0.00095 -0.05797 0.11725 -0.07688 149 7D-2 -0.07038 0.00276 -0.12331 0.14330 -0.07142 150 8D 0 0.01950 0.06820 -0.04959 0.06303 0.05311 151 8D+1 0.02758 0.13634 0.02381 0.20268 0.11360 152 8D-1 -0.23794 -0.09683 0.10605 0.03598 -0.10619 153 8D+2 -0.02817 -0.01042 0.07756 -0.14335 0.09511 154 8D-2 0.07960 -0.02952 0.17090 -0.20430 0.11565 155 8 C 1S 0.02033 0.00999 0.00131 -0.00287 -0.02791 156 2S -0.01859 0.05820 0.35586 -0.04378 -0.34110 157 3S 0.16663 -0.46351 -0.38190 0.03552 0.20585 158 4PX 0.02729 -0.04209 -0.04226 0.03050 0.01894 159 4PY -0.14459 0.42014 0.23674 -0.03725 -0.27161 160 4PZ 0.07588 -0.16445 -0.12163 -0.00537 0.09695 161 5PX 0.06112 -0.12758 0.11975 -0.28897 0.01057 162 5PY -0.00738 -0.29546 -0.20938 0.11002 0.59924 163 5PZ 0.08112 -0.09827 0.24976 0.16976 -0.17705 164 9 O 1S 0.01102 -0.01796 0.00545 -0.00141 -0.01313 165 2S -0.00094 0.06261 -0.00664 -0.00059 -0.00932 166 3S -0.18954 0.16081 -0.01206 0.02110 0.22803 167 4PX 0.05883 -0.19624 0.04881 -0.33033 0.08295 168 4PY 0.18471 0.09553 0.33663 -0.00114 -0.53701 169 4PZ 0.03548 -0.29359 0.01867 0.25874 0.17401 170 5PX -0.06614 0.24630 -0.09230 0.52101 -0.12814 171 5PY -0.45367 0.30635 -0.38622 -0.01448 0.71543 172 5PZ 0.02319 0.25997 -0.08629 -0.40030 -0.24139 131 132 133 134 135 V V V V V EIGENVALUES -- 0.67801 0.69036 0.69758 0.71036 0.73494 1 1 Cu 1S 0.00321 0.05494 -0.14182 0.00207 -0.00305 2 2S 0.00563 0.08885 -0.27059 0.00326 0.01267 3 3S -0.08040 -0.76771 3.27771 -0.05403 0.42122 4 4PX 0.00202 -0.00502 0.00084 0.00014 -0.00530 5 4PY -0.00054 -0.00381 0.00213 -0.00030 0.00549 6 4PZ -0.00118 -0.00637 0.00067 -0.00046 -0.00902 7 5PX -0.14647 0.16628 -0.38784 0.28388 -0.08074 8 5PY 0.03739 0.16486 -0.28193 -0.02958 0.06373 9 5PZ 0.11068 0.22891 -0.49509 -0.18612 -0.12154 10 6PX -0.13647 0.02905 -0.40652 0.23738 -0.01474 11 6PY 0.02541 0.14604 -0.49281 -0.02741 -0.35027 12 6PZ 0.10391 0.00892 -0.47584 -0.15911 0.06077 13 7D 0 -0.05474 -0.04091 -0.10151 -0.15534 0.02469 14 7D+1 0.03579 -0.12145 -0.14905 0.04979 -0.03323 15 7D-1 0.08543 0.07672 -0.05624 -0.10715 0.16633 16 7D+2 -0.00998 0.04100 -0.08277 0.12800 0.11707 17 7D-2 -0.14196 0.02037 -0.03053 0.11184 0.07778 18 8D 0 0.06866 0.05591 0.16456 0.23778 -0.01939 19 8D+1 -0.05007 0.17748 0.25573 -0.07478 0.07236 20 8D-1 -0.13802 -0.13344 0.11757 0.17381 -0.25043 21 8D+2 0.02613 -0.06922 0.13213 -0.20022 -0.16142 22 8D-2 0.22225 -0.04048 0.07043 -0.18598 -0.11890 23 2 Cu 1S -0.00853 0.01925 0.13875 0.21132 0.01752 24 2S -0.01725 0.06119 0.20281 0.32112 0.02184 25 3S 0.75569 0.86461 -4.17419 -5.94582 -0.84492 26 4PX -0.00463 -0.00525 -0.00767 -0.01123 0.00095 27 4PY 0.00822 0.01124 -0.00978 -0.01341 0.01065 28 4PZ -0.00821 -0.00271 0.00821 0.00870 0.01498 29 5PX 0.15182 0.19610 0.49423 0.77980 0.14394 30 5PY -0.22009 -0.18858 0.61089 0.71730 0.05611 31 5PZ 0.15239 0.11840 -0.47219 -0.70724 -0.11925 32 6PX 0.04288 0.17030 0.23527 0.44377 0.19464 33 6PY -0.28255 0.03434 0.43102 0.69419 0.24185 34 6PZ -0.07346 0.15783 -0.38682 -0.53276 0.13000 35 7D 0 0.05648 0.01306 -0.00648 -0.07226 0.12056 36 7D+1 0.01525 0.01280 0.12544 -0.08728 0.05896 37 7D-1 -0.13969 -0.10659 0.03016 -0.02235 -0.03220 38 7D+2 0.00767 0.10449 -0.03432 0.03609 0.03509 39 7D-2 -0.14527 0.15664 0.07216 -0.05655 0.04732 40 8D 0 -0.06894 -0.01534 -0.00871 0.11307 -0.16784 41 8D+1 -0.03515 -0.01687 -0.19323 0.18087 -0.09494 42 8D-1 0.19615 0.16281 -0.05799 0.00396 0.04489 43 8D+2 -0.03400 -0.16523 0.05436 -0.03832 -0.05950 44 8D-2 0.20221 -0.24077 -0.16411 0.06499 -0.08991 45 3 Cu 1S 0.00575 0.02630 0.13707 -0.20996 0.01859 46 2S 0.00935 0.07023 0.19992 -0.31783 0.02341 47 3S -0.78176 0.57398 -4.12996 5.97741 -0.88578 48 4PX 0.00443 0.00267 0.00824 -0.00904 0.01570 49 4PY -0.00932 0.00897 -0.01206 0.01679 0.00822 50 4PZ 0.00827 -0.00708 -0.00275 0.00495 0.00476 51 5PX -0.04213 -0.04023 -0.46650 0.75913 -0.14793 52 5PY 0.22568 -0.10930 0.75173 -0.95078 0.10866 53 5PZ -0.22580 0.25875 0.20760 -0.36607 0.08212 54 6PX 0.12673 0.08876 -0.33631 0.49448 0.08682 55 6PY 0.25962 0.09308 0.51769 -0.83323 0.24448 56 6PZ -0.05292 0.22005 0.02242 -0.11947 0.20484 57 7D 0 -0.03727 0.05344 0.02939 -0.01648 0.01356 58 7D+1 -0.01940 0.02934 0.11390 0.12891 0.11546 59 7D-1 0.17741 0.13981 0.05423 0.03520 0.03129 60 7D+2 -0.04223 -0.01556 -0.06459 0.00269 0.06671 61 7D-2 0.09908 -0.15163 0.04659 0.00997 -0.06078 62 8D 0 0.07955 -0.08245 -0.02634 -0.01945 -0.02787 63 8D+1 0.02621 -0.03788 -0.19766 -0.22611 -0.17290 64 8D-1 -0.23852 -0.21672 -0.13233 -0.02604 -0.06766 65 8D+2 0.05912 0.02407 0.09709 0.00281 -0.08824 66 8D-2 -0.13985 0.23449 -0.06373 0.00019 0.09091 67 4 Cu 1S 0.00110 -0.04016 -0.03107 -0.00184 0.05554 68 2S -0.00019 -0.04791 -0.03591 -0.00150 0.10653 69 3S 0.09543 0.73837 1.33201 0.11172 -0.68256 70 4PX -0.01397 0.00060 0.00735 0.00708 -0.01183 71 4PY 0.00192 -0.01479 0.01078 -0.00144 -0.00472 72 4PZ 0.00998 0.00497 0.00796 -0.00473 -0.01559 73 5PX 0.27488 -0.10285 -0.13860 0.11619 0.34996 74 5PY -0.04212 0.22489 0.17969 -0.00231 0.45648 75 5PZ -0.17035 -0.18455 -0.24244 -0.09801 0.39356 76 6PX 0.34619 0.07604 -0.25225 -0.07266 -0.10100 77 6PY 0.03704 -1.08702 0.07820 0.01283 -0.34548 78 6PZ -0.25433 0.36709 -0.38657 0.05247 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-0.23091 0.05941 99 6PY -0.22816 0.05979 -0.08184 0.58915 0.01013 100 6PZ 0.07642 -0.42365 -0.11397 0.35178 -0.07693 101 7D 0 -0.07385 0.04346 -0.06769 0.06813 -0.01181 102 7D+1 0.10377 0.01561 -0.12631 -0.04861 0.04214 103 7D-1 0.06302 -0.03953 -0.04064 0.00163 -0.04080 104 7D+2 0.06080 0.07694 0.08183 0.15274 0.11160 105 7D-2 0.14017 -0.04752 -0.11371 0.10547 -0.03611 106 8D 0 0.10129 -0.04416 0.09537 -0.11277 0.03177 107 8D+1 -0.14190 -0.00801 0.21075 0.06047 -0.06961 108 8D-1 -0.11700 0.03332 0.06756 0.02743 0.05367 109 8D+2 -0.07985 -0.09263 -0.14688 -0.24819 -0.15764 110 8D-2 -0.19497 0.09510 0.18053 -0.19221 0.06125 111 6 Cu 1S 0.00051 -0.07644 -0.19223 0.00044 -0.07291 112 2S 0.00069 -0.10611 -0.29060 0.00083 -0.09725 113 3S -0.02714 2.72466 5.95040 0.00481 2.38329 114 4PX -0.00112 -0.00213 -0.01381 0.00738 -0.00633 115 4PY 0.00013 0.00040 -0.00365 -0.00102 -0.00470 116 4PZ 0.00108 -0.00350 -0.01873 -0.00501 -0.00788 117 5PX 0.09987 0.23058 0.75284 -0.02677 0.34241 118 5PY 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-0.00908 138 4PZ -0.00134 -0.00029 0.00115 0.00005 0.00109 139 5PX 0.41065 -0.33209 -0.19929 -0.42859 -0.03242 140 5PY 0.21029 -0.31912 0.18846 -0.46781 -0.00915 141 5PZ -0.05866 0.26897 0.29826 0.19974 0.12229 142 6PX -0.03387 -0.45817 -0.25607 -0.53610 -0.07229 143 6PY 0.19542 0.20225 0.01820 -0.48052 0.02126 144 6PZ -0.01060 0.08570 0.36327 0.17902 0.03329 145 7D 0 -0.09250 0.06053 0.04038 -0.03674 0.11933 146 7D+1 -0.04594 0.01159 -0.17771 0.01635 -0.00984 147 7D-1 -0.16592 -0.04147 -0.07246 -0.13801 -0.01307 148 7D+2 0.06943 0.06592 0.03860 -0.10461 0.03180 149 7D-2 -0.03473 -0.05898 -0.03825 0.09319 -0.04375 150 8D 0 0.11939 -0.07753 -0.06720 0.06803 -0.18138 151 8D+1 0.06114 0.00678 0.28754 -0.00432 0.01734 152 8D-1 0.23923 0.07837 0.11121 0.23080 0.02582 153 8D+2 -0.08737 -0.09152 -0.08022 0.15166 -0.03548 154 8D-2 0.07464 0.05450 0.07253 -0.18028 0.05066 155 8 C 1S 0.00272 -0.04812 0.01478 -0.00033 -0.00718 156 2S 0.01698 0.05953 0.05851 0.00645 -0.20742 157 3S -0.00535 -0.24197 0.05215 -0.00787 0.10656 158 4PX -0.01730 0.03321 0.02248 0.06452 0.02458 159 4PY 0.02077 -0.19776 0.02604 -0.01017 0.14284 160 4PZ 0.00297 0.09901 0.02445 -0.04307 0.00124 161 5PX 0.12522 -0.00959 0.01887 -0.12625 -0.47300 162 5PY -0.06099 0.48050 -0.00256 0.02208 -0.54868 163 5PZ -0.07055 -0.15641 0.03699 0.08189 -0.55017 164 9 O 1S 0.00080 -0.00379 -0.00062 -0.00009 0.00013 165 2S 0.00155 -0.04396 0.04010 0.00083 -0.04974 166 3S -0.01755 0.23625 -0.08148 0.00093 0.04133 167 4PX 0.26143 0.28457 -0.00693 0.04267 -0.33591 168 4PY -0.01052 -0.35265 0.16476 -0.00710 -0.33627 169 4PZ -0.21297 0.45370 -0.04073 -0.02649 -0.40883 170 5PX -0.39582 -0.41118 0.00041 -0.05741 0.59380 171 5PY 0.02303 0.40076 -0.28193 0.00886 0.76724 172 5PZ 0.31869 -0.62404 0.05442 0.03580 0.67881 136 137 138 139 140 V V V V V EIGENVALUES -- 0.77152 0.78569 0.81850 0.82689 0.84398 1 1 Cu 1S 0.00010 0.00080 0.02658 -0.00119 -0.10687 2 2S -0.00015 0.00174 0.03813 -0.00153 -0.22754 3 3S -0.02650 -0.00594 -1.04854 0.05758 1.44927 4 4PX -0.00162 0.00450 -0.01033 -0.00357 -0.00293 5 4PY -0.00005 -0.00063 -0.00443 0.00093 0.00759 6 4PZ 0.00112 -0.00312 -0.01349 0.00377 -0.00546 7 5PX -0.04778 0.04227 0.13836 0.15844 -0.02343 8 5PY 0.01159 -0.00627 0.26156 -0.03809 -0.20055 9 5PZ 0.03945 -0.02998 0.12460 -0.12675 -0.00322 10 6PX -0.12395 0.03400 0.20265 -0.03075 -0.37613 11 6PY 0.03440 -0.00701 0.36008 -0.02433 -0.03814 12 6PZ 0.09016 -0.01893 0.20395 0.00141 -0.51102 13 7D 0 -0.08797 0.07523 0.11947 -0.00516 0.07482 14 7D+1 0.03907 -0.01018 0.05487 -0.01356 0.11042 15 7D-1 0.00569 0.15325 0.08072 -0.06133 -0.19038 16 7D+2 0.04790 -0.10594 0.18029 0.01024 0.00402 17 7D-2 -0.02974 -0.19199 0.01371 0.07829 -0.13404 18 8D 0 0.12700 -0.10142 -0.18172 0.02016 -0.12332 19 8D+1 -0.05819 0.00713 -0.08187 0.01891 -0.18935 20 8D-1 -0.02027 -0.25082 -0.13659 0.11610 0.34802 21 8D+2 -0.06492 0.16199 -0.28142 -0.03010 0.00724 22 8D-2 0.05916 0.31983 -0.03099 -0.14599 0.24195 23 2 Cu 1S 0.00427 0.02686 0.01409 0.05173 0.08846 24 2S -0.00640 0.04496 0.00510 0.09107 0.14968 25 3S -0.55754 -0.58025 0.06103 -1.45392 -2.34806 26 4PX -0.00229 -0.00088 -0.00106 -0.00539 -0.00438 27 4PY -0.00970 0.00868 -0.00665 -0.00070 -0.00194 28 4PZ -0.00376 0.00831 0.00142 -0.00150 0.00195 29 5PX 0.11776 0.07149 0.11900 0.22196 0.19394 30 5PY 0.10910 0.11382 0.24639 0.05204 0.57932 31 5PZ -0.12811 0.01146 -0.04800 -0.06771 0.07062 32 6PX 0.04979 0.04690 0.00932 -0.01935 0.22989 33 6PY 0.18134 -0.20703 -0.01517 0.51259 -0.04246 34 6PZ 0.04218 -0.36299 -0.34052 -0.13836 -0.41490 35 7D 0 -0.04652 0.12257 0.14197 -0.06677 0.07503 36 7D+1 -0.06393 0.03829 0.00007 -0.06036 -0.06749 37 7D-1 -0.07099 0.01623 0.01432 0.15761 0.03584 38 7D+2 -0.05727 0.07764 -0.08300 -0.06598 0.09469 39 7D-2 0.00899 0.07146 0.00353 0.03935 0.07265 40 8D 0 0.06879 -0.16324 -0.22213 0.10788 -0.10422 41 8D+1 0.10481 -0.05865 0.01401 0.11777 0.10464 42 8D-1 0.11321 -0.02779 0.00804 -0.28228 -0.08307 43 8D+2 0.08019 -0.10283 0.13736 0.10534 -0.12456 44 8D-2 -0.01724 -0.11697 -0.02181 -0.07469 -0.14746 45 3 Cu 1S -0.00739 -0.02786 0.01240 -0.05173 0.08421 46 2S 0.00145 -0.04667 0.00049 -0.08900 0.14385 47 3S 0.64769 0.60109 0.10646 1.41172 -2.22743 48 4PX 0.00411 -0.00956 0.00034 0.00001 0.00222 49 4PY 0.00915 -0.00693 -0.00755 0.00258 -0.00279 50 4PZ 0.00214 -0.00085 0.00121 0.00510 -0.00320 51 5PX 0.14397 -0.01325 -0.03743 0.12008 0.15609 52 5PY -0.16506 -0.12884 0.28116 -0.13265 0.58252 53 5PZ -0.04508 -0.05706 0.04260 -0.18292 0.12037 54 6PX -0.07535 0.40188 -0.32434 0.06622 -0.45436 55 6PY -0.20155 0.14113 -0.00934 -0.50445 0.04466 56 6PZ -0.05488 0.05646 -0.07614 0.15594 0.05473 57 7D 0 0.05773 -0.02109 -0.09644 0.09558 -0.01109 58 7D+1 0.05643 -0.09218 0.10713 0.05207 -0.01400 59 7D-1 0.02527 -0.08141 -0.04037 -0.07501 0.10474 60 7D+2 0.06773 -0.10377 0.06767 0.01451 0.11479 61 7D-2 0.05546 0.04390 -0.02140 -0.14472 -0.04322 62 8D 0 -0.08904 0.02653 0.16364 -0.17016 0.03850 63 8D+1 -0.09027 0.13352 -0.16644 -0.09978 0.01553 64 8D-1 -0.03426 0.12970 0.06379 0.14300 -0.19653 65 8D+2 -0.09973 0.13216 -0.09089 -0.01312 -0.15662 66 8D-2 -0.09378 -0.05688 0.06776 0.24630 0.04377 67 4 Cu 1S 0.00070 0.00009 -0.06175 0.00286 0.01229 68 2S 0.00095 0.00026 -0.04174 0.00179 0.02980 69 3S 0.03350 -0.00289 5.42525 -0.30791 -2.15326 70 4PX -0.01706 0.00100 0.02753 0.01096 -0.01287 71 4PY 0.00242 -0.00016 -0.03572 0.00013 0.02214 72 4PZ 0.01239 -0.00078 0.04481 -0.01181 -0.02244 73 5PX 0.56822 -0.03250 -0.55852 -0.65321 -0.01170 74 5PY -0.10388 0.00782 -0.00820 0.11664 0.30813 75 5PZ -0.39645 0.02289 -0.66210 0.51985 -0.12082 76 6PX 0.66384 0.06394 -0.22777 0.36599 0.50764 77 6PY -0.08545 -0.01656 0.17092 -0.05915 0.83232 78 6PZ -0.45542 -0.05036 -0.36705 -0.23011 0.49730 79 7D 0 -0.02751 -0.01757 0.06222 -0.21258 0.05712 80 7D+1 -0.00196 0.00837 -0.01759 0.08932 -0.04521 81 7D-1 -0.08459 0.00585 -0.03499 -0.01628 -0.00954 82 7D+2 0.05074 0.00561 0.13880 0.10846 0.12451 83 7D-2 0.10697 -0.01261 -0.07168 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0.14601 0.07934 -0.00080 9 5PZ -0.12548 0.46780 -0.05353 -0.03310 0.03977 10 6PX -0.22808 0.21064 -0.12804 -0.14466 -0.22581 11 6PY 0.04106 0.06686 0.03956 -0.17545 0.04401 12 6PZ 0.18070 0.19553 0.17629 -0.15788 0.15687 13 7D 0 -0.18622 -0.01539 -0.24185 -0.03519 -0.08912 14 7D+1 0.09082 0.06417 0.13099 -0.10950 0.03723 15 7D-1 0.06750 -0.09128 0.09062 0.05173 0.00451 16 7D+2 0.06799 -0.21156 0.02972 0.02952 0.04974 17 7D-2 -0.13525 0.06423 -0.19594 0.01717 -0.02708 18 8D 0 0.34053 0.01899 0.43301 0.08226 0.14516 19 8D+1 -0.16656 -0.14730 -0.24442 0.20098 -0.06256 20 8D-1 -0.12486 0.15050 -0.17795 -0.11815 -0.01914 21 8D+2 -0.12341 0.38309 -0.04817 -0.03082 -0.07857 22 8D-2 0.24797 -0.13475 0.36426 -0.05500 0.05997 23 2 Cu 1S 0.08297 0.03753 0.03751 0.06832 -0.05785 24 2S 0.11071 0.03710 0.05279 0.09205 -0.08916 25 3S -1.99296 -0.48116 -0.70168 -1.89866 2.12184 26 4PX -0.00022 -0.00039 -0.00067 -0.01773 -0.00658 27 4PY -0.00816 -0.00699 0.00716 -0.00367 0.00842 28 4PZ 0.00561 0.00413 0.01134 0.00797 -0.01877 29 5PX 0.29105 0.08465 0.09814 0.08642 -0.22002 30 5PY 0.12267 0.68216 -0.26101 0.69469 -0.41016 31 5PZ -0.49414 0.06360 -0.51004 -0.72340 0.25122 32 6PX 0.66446 0.39187 0.21306 0.09178 0.03185 33 6PY -0.04956 0.26981 0.46470 0.22648 -0.23026 34 6PZ -0.15451 0.33845 0.35508 -0.16118 0.34644 35 7D 0 -0.03294 -0.02590 -0.14737 0.06528 -0.12540 36 7D+1 -0.00420 -0.05099 -0.07973 -0.04323 0.13832 37 7D-1 -0.07151 -0.12377 -0.02829 -0.14744 0.00223 38 7D+2 0.06967 -0.00411 -0.07040 -0.14972 0.17576 39 7D-2 0.06843 -0.04138 -0.03922 0.02296 0.04375 40 8D 0 0.03059 0.07089 0.22207 -0.13905 0.20109 41 8D+1 0.01271 0.08973 0.16080 0.10128 -0.26977 42 8D-1 0.11739 0.24970 0.04914 0.31233 0.00669 43 8D+2 -0.11962 0.03750 0.10971 0.30576 -0.32023 44 8D-2 -0.12086 0.06115 0.07976 -0.05725 -0.05328 45 3 Cu 1S -0.08303 0.05492 -0.02045 0.07167 0.05390 46 2S -0.11225 0.06265 -0.03594 0.09552 0.08488 47 3S 2.01821 -0.86794 0.48125 -1.98493 -1.99766 48 4PX -0.00349 0.00765 -0.01014 0.01282 0.01315 49 4PY 0.00844 -0.00528 -0.00787 -0.00834 -0.00820 50 4PZ -0.00309 0.00299 -0.00126 -0.01273 0.01429 51 5PX 0.50681 -0.09958 0.56087 -0.56897 -0.17907 52 5PY -0.22866 0.56360 0.40607 0.80521 0.43691 53 5PZ -0.09106 -0.00941 0.04239 -0.26671 0.07307 54 6PX 0.37510 0.34861 -0.20755 -0.13329 -0.26256 55 6PY -0.09385 0.46318 -0.27985 0.28173 0.23744 56 6PZ -0.56157 0.52666 -0.04887 -0.01628 -0.18127 57 7D 0 -0.05406 -0.01732 0.03439 -0.14887 -0.22482 58 7D+1 0.02240 -0.10457 0.09599 0.05761 -0.00566 59 7D-1 -0.06696 -0.08728 0.01011 -0.08616 -0.10142 60 7D+2 0.02622 -0.08101 0.08787 -0.06549 0.06309 61 7D-2 0.08734 -0.08678 -0.05837 -0.11906 -0.00010 62 8D 0 0.08153 0.04808 -0.06484 0.31457 0.41497 63 8D+1 -0.02740 0.18588 -0.16904 -0.11390 0.03405 64 8D-1 0.11968 0.16350 -0.01926 0.16951 0.15372 65 8D+2 -0.02348 0.16632 -0.09886 0.13272 -0.09511 66 8D-2 -0.14971 0.17351 0.09874 0.25993 -0.00697 67 4 Cu 1S -0.00154 -0.04652 -0.01016 0.04499 0.00085 68 2S 0.00155 0.00949 0.00207 0.23037 -0.00366 69 3S 0.16858 3.78038 0.83924 0.45438 -0.12084 70 4PX -0.01817 0.00123 -0.00040 0.01616 0.00256 71 4PY 0.00138 -0.04553 -0.01006 -0.02115 0.00042 72 4PZ 0.01448 0.01092 0.00304 0.02691 -0.00291 73 5PX 0.64724 0.10930 0.03898 -1.13734 -0.11702 74 5PY -0.05732 1.38300 0.29897 2.57079 -0.03627 75 5PZ -0.50608 -0.11789 -0.03644 -2.19784 0.14774 76 6PX 0.32654 -0.07677 0.11248 0.14593 0.30130 77 6PY -0.05929 0.22283 0.01261 0.42596 -0.03630 78 6PZ -0.25440 -0.06140 -0.11891 0.11047 -0.19067 79 7D 0 0.00574 -0.04990 -0.04793 0.01258 -0.10487 80 7D+1 -0.00113 0.00987 0.01771 0.05240 0.05347 81 7D-1 0.00265 0.00425 -0.00565 -0.16567 0.04088 82 7D+2 -0.00666 -0.10640 -0.00414 -0.06360 0.04236 83 7D-2 -0.00419 0.03511 0.00889 -0.09130 -0.08137 84 8D 0 0.02212 0.06973 0.08268 -0.03374 0.20150 85 8D+1 -0.01261 -0.00413 -0.02939 -0.13344 -0.09902 86 8D-1 -0.01395 -0.04506 -0.00289 0.40416 -0.05759 87 8D+2 -0.00243 0.13688 -0.00287 0.15502 -0.09024 88 8D-2 0.02722 -0.07397 -0.01158 0.22156 0.12774 89 5 Cu 1S 0.03109 0.01038 -0.00941 -0.03798 0.05207 90 2S 0.02111 0.03530 -0.02315 -0.06750 0.06899 91 3S -1.15681 0.06758 0.00560 2.11053 -1.41026 92 4PX -0.00931 -0.00412 -0.00070 0.00281 -0.00946 93 4PY 0.00784 -0.00094 0.00490 0.00064 -0.00063 94 4PZ 0.00312 -0.00162 -0.00062 -0.01868 0.00077 95 5PX 0.34506 -0.00581 -0.05895 -0.24284 0.21348 96 5PY -0.23211 0.18700 -0.08006 0.17205 -0.34707 97 5PZ -0.24147 -0.06104 -0.03221 0.19224 -0.08320 98 6PX -0.16237 -0.14294 0.02217 -0.30639 -0.00816 99 6PY -0.07797 -0.21581 0.07012 0.09600 -0.16411 100 6PZ 0.00050 -0.28826 -0.07109 0.26526 -0.28540 101 7D 0 0.13901 -0.03596 -0.06562 -0.03064 -0.07183 102 7D+1 0.22718 0.13839 -0.11736 0.01139 -0.02773 103 7D-1 -0.05372 0.19368 -0.10099 -0.00091 0.12311 104 7D+2 0.04342 0.17019 -0.12187 0.00651 0.10359 105 7D-2 -0.17667 -0.05278 0.02606 0.10262 0.10033 106 8D 0 -0.25351 0.04097 0.11068 0.03138 0.15029 107 8D+1 -0.41425 -0.25450 0.22332 -0.00516 0.05895 108 8D-1 0.09260 -0.36378 0.19180 -0.02060 -0.25342 109 8D+2 -0.07124 -0.30841 0.20887 -0.01259 -0.17441 110 8D-2 0.33451 0.08227 -0.04808 -0.19880 -0.17613 111 6 Cu 1S 0.00332 -0.02627 -0.00296 0.10182 -0.00171 112 2S 0.00402 -0.04541 -0.00563 0.11475 -0.00102 113 3S -0.07809 0.66315 0.08392 -2.70487 0.02958 114 4PX -0.00544 -0.00043 0.01057 0.01138 0.01225 115 4PY 0.00086 0.00733 -0.00008 0.01194 -0.00260 116 4PZ 0.00459 0.00248 -0.00665 0.01286 -0.00900 117 5PX 0.56845 0.05996 -0.30701 -0.60396 0.12070 118 5PY -0.09200 0.00582 0.04381 0.19784 -0.02112 119 5PZ -0.43714 -0.04203 0.20006 -0.89948 -0.06180 120 6PX 0.18559 -0.07121 0.30137 -0.24192 -0.03902 121 6PY -0.03166 0.71539 0.09835 0.25479 0.00892 122 6PZ -0.15303 -0.10849 -0.26148 -0.41289 0.03653 123 7D 0 -0.04234 0.03027 0.06194 0.10795 -0.09836 124 7D+1 0.01633 -0.10071 -0.05298 0.09051 0.01818 125 7D-1 -0.02519 -0.02189 -0.05048 -0.06653 -0.14976 126 7D+2 0.03704 0.13162 0.02281 0.09853 0.11857 127 7D-2 0.02219 -0.09129 0.06318 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-0.11318 -0.00038 -0.23930 113 3S 2.00645 -2.65194 0.81537 0.02374 2.39654 114 4PX -0.00551 0.01506 -0.00634 0.00442 -0.01349 115 4PY 0.01885 0.00230 -0.02076 -0.00065 -0.00706 116 4PZ -0.01237 0.02060 -0.00490 -0.00344 -0.01748 117 5PX 0.24557 -0.60662 -0.02299 0.22667 0.37196 118 5PY 0.05551 0.12367 0.10602 -0.03617 0.15459 119 5PZ 0.33661 -0.88680 -0.06237 -0.14562 0.49677 120 6PX 0.18902 -0.29748 -0.02374 0.20128 0.24992 121 6PY -0.07827 -0.02513 0.05954 -0.02847 0.33971 122 6PZ 0.28201 -0.41762 -0.06275 -0.13493 0.29098 123 7D 0 -0.11267 0.05324 -0.02490 0.04449 -0.10401 124 7D+1 -0.00418 0.11718 -0.03370 -0.03436 -0.10641 125 7D-1 0.04049 -0.02778 -0.04572 -0.08202 -0.17766 126 7D+2 -0.16272 0.00405 -0.03371 0.01092 -0.15451 127 7D-2 0.08765 -0.00386 -0.02639 0.12530 -0.09326 128 8D 0 0.20629 -0.13252 0.04327 -0.11998 0.22061 129 8D+1 0.01046 -0.23536 0.01799 0.08156 0.20682 130 8D-1 -0.04073 0.06181 0.08110 0.15597 0.37595 131 8D+2 0.30694 -0.04809 0.08737 -0.00149 0.33944 132 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5PY 0.18851 0.06648 -0.12937 0.00429 0.07212 172 5PZ 0.15660 0.32984 -0.05814 0.00606 0.01917 151 152 153 154 155 V V V V V EIGENVALUES -- 1.04779 1.06471 1.08250 1.16666 1.17915 1 1 Cu 1S 0.00034 -0.01327 -0.01812 -0.19430 0.00632 2 2S 0.00076 -0.00336 -0.04723 -0.23479 0.00502 3 3S 0.00143 0.13578 -0.04557 4.44112 -0.19091 4 4PX 0.01436 -0.00121 -0.00204 0.02140 -0.00080 5 4PY -0.00225 -0.01301 -0.00968 0.03658 -0.00183 6 4PZ -0.01025 0.00168 -0.00099 0.02241 -0.00121 7 5PX -0.01479 -0.03034 0.03964 -0.90389 0.39435 8 5PY 0.00206 0.20419 0.18467 -0.82540 -0.01191 9 5PZ 0.01315 -0.09382 0.02029 -1.14893 -0.20054 10 6PX -0.00660 -0.06597 0.00085 -0.26249 -0.35672 11 6PY 0.00104 -0.07843 -0.07389 -0.11188 0.06213 12 6PZ 0.00032 -0.07229 0.01734 -0.31323 0.27344 13 7D 0 -0.00286 -0.07982 -0.05482 -0.03414 -0.07433 14 7D+1 0.01955 -0.12408 -0.05619 -0.15542 0.03471 15 7D-1 0.12750 0.15643 0.09414 -0.18468 -0.02108 16 7D+2 -0.05203 0.00286 -0.02489 0.00122 0.05045 17 7D-2 -0.17443 0.10399 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-0.05996 -0.00712 0.02284 58 7D+1 -0.00276 -0.04943 -0.06137 0.04811 0.04299 59 7D-1 -0.17133 0.09719 0.09362 -0.09052 -0.06670 60 7D+2 -0.04538 0.00389 0.03587 0.19953 -0.16784 61 7D-2 -0.04708 0.10739 0.00953 -0.06181 0.04405 62 8D 0 -0.46360 0.29608 0.15822 0.02565 -0.03015 63 8D+1 -0.01661 0.08697 0.11948 -0.18160 -0.11785 64 8D-1 0.35901 -0.22034 -0.18367 0.23042 0.21716 65 8D+2 0.09166 -0.01621 -0.06462 -0.57159 0.46942 66 8D-2 0.10175 -0.20142 -0.01315 0.15909 -0.16019 67 4 Cu 1S 0.00085 0.02458 0.01138 0.03484 -0.00140 68 2S 0.00044 0.10702 0.15649 0.08199 -0.00238 69 3S -0.04015 -0.19598 0.85685 -0.25374 0.02686 70 4PX -0.00615 -0.00230 0.00915 -0.01393 0.02515 71 4PY 0.00093 -0.01543 0.00054 -0.02801 -0.00281 72 4PZ 0.00399 -0.00049 0.01298 -0.01640 -0.01671 73 5PX 0.26666 -0.12383 -0.39958 -0.45214 0.86826 74 5PY -0.03381 0.70321 0.51396 -0.34353 -0.11274 75 5PZ -0.18693 -0.32348 -0.67888 -0.62847 -0.55608 76 6PX 0.15541 0.13516 -0.04151 -0.11631 0.25381 77 6PY -0.02053 0.14822 0.08390 -0.34799 -0.02386 78 6PZ -0.09526 0.16034 -0.08657 -0.10796 -0.17490 79 7D 0 0.06732 -0.04376 -0.04321 -0.07706 -0.13702 80 7D+1 -0.02249 0.05486 -0.19037 0.00360 0.06069 81 7D-1 0.03383 0.09570 0.10285 -0.02366 0.01147 82 7D+2 -0.05114 -0.07433 0.08598 -0.12565 0.07614 83 7D-2 -0.02893 0.10201 0.02772 0.02112 -0.05144 84 8D 0 -0.13906 0.09299 0.09407 0.23364 0.42102 85 8D+1 0.04489 -0.13587 0.40556 -0.02172 -0.18415 86 8D-1 -0.07307 -0.15720 -0.18946 0.07056 -0.01894 87 8D+2 0.10825 0.18561 -0.16894 0.38661 -0.24064 88 8D-2 0.06702 -0.19491 -0.04290 -0.06902 0.13541 89 5 Cu 1S -0.02082 -0.00377 -0.03254 0.11427 0.17229 90 2S -0.03394 -0.02267 -0.05587 0.14459 0.19092 91 3S 0.41710 -0.10160 0.11266 -2.09899 -3.74033 92 4PX 0.01077 0.00916 -0.00870 -0.01095 -0.02334 93 4PY 0.00113 0.01369 -0.00627 0.01387 0.02237 94 4PZ 0.00745 0.00429 0.01453 0.01667 0.02878 95 5PX -0.10098 0.01916 0.03589 0.22341 0.96621 96 5PY 0.13526 -0.20087 0.10332 -0.81015 -0.94817 97 5PZ -0.08226 -0.03671 -0.23575 -0.40945 -0.66029 98 6PX -0.09500 0.01810 -0.02949 0.37112 0.06801 99 6PY 0.10387 -0.04926 -0.03380 0.04635 -0.42997 100 6PZ 0.10002 0.02124 0.06324 0.09375 -0.05644 101 7D 0 0.02481 0.04694 0.00716 -0.00679 -0.03101 102 7D+1 0.06906 0.11871 -0.19837 -0.05810 -0.11447 103 7D-1 0.12889 0.17058 0.09563 0.11679 0.12855 104 7D+2 0.03804 -0.05983 0.07254 -0.09156 0.00042 105 7D-2 0.14439 -0.05864 0.09792 -0.08409 -0.16165 106 8D 0 -0.04838 -0.09837 -0.01924 0.03164 0.09561 107 8D+1 -0.15038 -0.24455 0.42667 0.15025 0.27994 108 8D-1 -0.25919 -0.37021 -0.20923 -0.29386 -0.32504 109 8D+2 -0.10792 0.09673 -0.14673 0.26620 -0.00656 110 8D-2 -0.30489 0.13891 -0.23119 0.21072 0.43471 111 6 Cu 1S -0.00172 -0.04564 0.00104 0.01721 -0.00136 112 2S -0.00195 -0.08048 -0.03987 -0.10658 0.00392 113 3S 0.04122 0.91096 -0.44701 -2.04601 0.09757 114 4PX -0.00442 -0.00187 0.00048 0.01260 0.00822 115 4PY 0.00032 0.00504 0.02016 -0.01146 -0.00094 116 4PZ 0.00260 -0.00410 -0.00354 0.01946 -0.00712 117 5PX 0.02985 0.06784 -0.13296 -0.55050 1.28406 118 5PY -0.00295 0.08187 -0.06868 -0.80771 -0.15886 119 5PZ -0.00700 0.07794 -0.16759 -0.71397 -0.85146 120 6PX 0.02990 0.07866 -0.06430 -0.14597 0.73163 121 6PY -0.00462 0.01416 0.06668 -0.92324 -0.07362 122 6PZ -0.01273 0.10270 -0.09935 -0.08616 -0.50046 123 7D 0 0.04955 -0.04339 0.04209 0.00217 0.20537 124 7D+1 -0.02861 0.10233 -0.11596 -0.01178 -0.08280 125 7D-1 -0.04947 -0.05542 0.13256 0.10286 0.02938 126 7D+2 -0.01094 -0.15509 0.18928 0.02291 -0.12288 127 7D-2 0.07908 0.01932 0.02526 0.06291 0.00428 128 8D 0 -0.09584 0.08570 -0.11163 0.00005 -0.59050 129 8D+1 0.05238 -0.22515 0.23570 0.00024 0.24466 130 8D-1 0.07775 0.13158 -0.27251 -0.30954 -0.05008 131 8D+2 0.03049 0.32859 -0.42973 -0.03831 0.33794 132 8D-2 -0.12841 -0.03238 -0.03923 -0.20649 -0.05798 133 7 Cu 1S 0.02234 -0.00500 -0.03162 0.09938 -0.18354 134 2S 0.03628 -0.02435 -0.05506 0.12683 -0.20698 135 3S -0.43231 -0.08616 0.09504 -1.77614 3.87493 136 4PX -0.00369 0.00398 0.01513 0.01842 -0.03984 137 4PY -0.00159 0.01455 -0.00984 0.00801 -0.01389 138 4PZ -0.01231 0.00855 -0.00229 -0.00510 0.01525 139 5PX 0.01678 -0.07963 -0.21324 -0.52164 1.14960 140 5PY -0.13291 -0.18198 0.13723 -0.62223 0.68229 141 5PZ 0.15095 0.02680 -0.05774 0.11455 -0.81002 142 6PX -0.14418 0.00533 0.06066 -0.01019 0.15531 143 6PY -0.07228 -0.04559 -0.05139 0.13699 0.38799 144 6PZ 0.06946 0.03048 0.00341 0.35750 -0.13519 145 7D 0 -0.01283 0.00654 -0.09069 -0.08390 0.03481 146 7D+1 -0.07820 0.10967 -0.14936 -0.03672 0.15097 147 7D-1 -0.18356 -0.01702 0.15093 -0.04975 0.09069 148 7D+2 -0.02077 0.04492 0.09835 0.01910 -0.09289 149 7D-2 -0.06741 0.20003 -0.00899 0.12276 -0.14543 150 8D 0 0.05111 -0.03561 0.20814 0.23621 -0.06971 151 8D+1 0.16096 -0.21470 0.31251 0.09327 -0.39185 152 8D-1 0.39209 0.03520 -0.34008 0.13296 -0.24989 153 8D+2 0.04809 -0.11719 -0.20545 -0.02278 0.22810 154 8D-2 0.12577 -0.42590 0.01984 -0.31872 0.37969 155 8 C 1S 0.00000 0.00560 0.01550 -0.01021 0.00073 156 2S -0.01059 -0.37613 -0.37819 -0.14501 0.00956 157 3S 0.02363 0.91337 0.80623 0.27535 -0.02389 158 4PX 0.01595 0.00686 0.05273 -0.02032 0.00026 159 4PY -0.00038 -0.08038 -0.22588 0.08138 -0.00594 160 4PZ -0.01261 0.02989 0.13071 -0.04679 0.00582 161 5PX -0.16345 -0.12922 -0.10793 -0.14761 0.18954 162 5PY 0.02777 0.11601 0.25353 -0.04348 -0.03322 163 5PZ 0.10993 -0.21761 -0.20726 -0.22994 -0.12076 164 9 O 1S 0.00016 0.00349 0.00110 0.00921 -0.00047 165 2S -0.00286 -0.03335 0.02476 -0.15523 0.00854 166 3S 0.00177 -0.06308 -0.15208 0.20837 -0.01157 167 4PX -0.02765 0.00349 -0.01245 -0.02709 0.03802 168 4PY 0.00647 0.00426 -0.04245 -0.04045 -0.00641 169 4PZ 0.01971 0.00307 -0.00600 -0.03777 -0.02648 170 5PX 0.08290 0.02247 0.05404 0.08046 -0.12577 171 5PY -0.01448 -0.04285 -0.08358 0.20857 0.01391 172 5PZ -0.05950 0.04571 0.09328 0.08862 0.08788 156 157 158 159 160 V V V V V EIGENVALUES -- 1.21769 1.24945 1.28574 1.29067 1.29414 1 1 Cu 1S 0.04548 0.00215 -0.00023 0.01627 -0.00099 2 2S 0.06882 0.00303 0.00071 -0.01924 -0.00787 3 3S -0.16998 -0.01671 0.01456 -0.67206 -0.06981 4 4PX -0.00285 0.00372 -0.01783 -0.00533 -0.01327 5 4PY 0.01172 -0.00080 0.00334 -0.01497 0.00073 6 4PZ -0.00660 -0.00285 0.01263 -0.00528 0.00781 7 5PX 0.06008 0.18725 0.23397 -0.06020 0.71354 8 5PY -0.10763 -0.01835 -0.05872 0.75403 -0.03950 9 5PZ 0.12727 -0.13037 -0.15478 -0.14914 -0.50409 10 6PX 0.00896 -0.07973 -0.13082 0.21809 -0.65290 11 6PY 0.04109 0.00848 0.03352 -0.42567 0.06487 12 6PZ -0.00650 0.06258 0.07620 0.30245 0.49331 13 7D 0 0.05239 -0.02440 -0.11759 -0.10135 -0.21807 14 7D+1 -0.01432 0.00714 0.05031 -0.02199 0.08055 15 7D-1 0.00698 -0.01726 -0.02748 0.01860 -0.07079 16 7D+2 0.09293 0.01886 0.08132 -0.17981 0.12801 17 7D-2 -0.02694 0.01979 0.00392 0.05784 0.05232 18 8D 0 -0.13076 0.08207 0.30847 0.29079 0.64357 19 8D+1 0.02055 -0.02507 -0.13280 0.08021 -0.23641 20 8D-1 -0.01584 0.05606 0.07489 -0.05741 0.20512 21 8D+2 -0.21868 -0.06280 -0.21557 0.50805 -0.37680 22 8D-2 0.06350 -0.06217 -0.01335 -0.16421 -0.14813 23 2 Cu 1S 0.00372 -0.03402 0.03831 0.00629 0.03782 24 2S -0.01606 -0.09514 0.09834 0.00930 0.11275 25 3S -0.54501 -0.57243 0.22947 -0.08819 0.42624 26 4PX 0.00195 0.00654 -0.00045 -0.01275 0.03205 27 4PY -0.01226 -0.02347 0.00268 0.02282 0.02189 28 4PZ 0.01561 0.02110 -0.01747 0.01729 0.01476 29 5PX 0.06581 -0.01242 0.00648 0.52768 -1.02585 30 5PY 0.43334 0.27272 -0.26187 -0.35172 -0.48118 31 5PZ -0.12239 -0.56505 0.21579 -0.19847 -0.31625 32 6PX 0.16923 0.20273 -0.12542 -0.24979 0.55671 33 6PY 0.03399 -0.01056 0.14546 0.44072 0.47550 34 6PZ 0.05941 0.20841 -0.03087 0.30470 0.60532 35 7D 0 -0.01070 0.12335 0.00679 0.04184 0.19567 36 7D+1 -0.07575 0.04661 0.19350 0.01487 0.12389 37 7D-1 -0.09286 -0.22724 0.09531 0.01539 0.09780 38 7D+2 -0.08327 -0.08440 0.06401 0.15442 -0.11238 39 7D-2 -0.00826 0.12811 0.15461 0.11319 -0.09455 40 8D 0 0.03990 -0.33098 -0.03281 -0.11909 -0.55795 41 8D+1 0.19147 -0.12066 -0.52210 -0.07001 -0.36093 42 8D-1 0.23445 0.58602 -0.26080 -0.02978 -0.28575 43 8D+2 0.21688 0.20563 -0.18350 -0.44277 0.32165 44 8D-2 0.01771 -0.33371 -0.42271 -0.35095 0.24631 45 3 Cu 1S 0.00386 0.03690 -0.04165 0.01139 -0.03574 46 2S -0.01588 0.10057 -0.10643 0.02364 -0.10881 47 3S -0.57053 0.55369 -0.23286 -0.06312 -0.45399 48 4PX 0.01198 -0.01216 0.01393 0.02633 -0.00334 49 4PY -0.01439 0.02449 -0.00683 0.01978 -0.02244 50 4PZ 0.00969 -0.01641 0.00748 -0.00251 -0.03260 51 5PX -0.06576 0.45448 -0.11850 -0.42036 -0.00915 52 5PY 0.45342 -0.33281 0.31246 -0.25732 0.60009 53 5PZ -0.06080 0.24797 -0.15201 0.29079 1.05494 54 6PX 0.02493 -0.11897 -0.06884 0.48010 -0.39067 55 6PY 0.07297 0.01271 -0.14602 0.37509 -0.42656 56 6PZ 0.18146 -0.25432 0.16565 -0.05904 -0.67275 57 7D 0 -0.09304 0.08259 -0.11712 0.05862 0.06998 58 7D+1 -0.02710 -0.17051 -0.16314 0.04478 -0.19992 59 7D-1 -0.06108 0.01156 -0.18843 0.11685 0.12771 60 7D+2 -0.05707 0.07059 0.01731 0.08828 -0.09904 61 7D-2 -0.07981 0.22794 -0.06605 -0.04979 -0.13853 62 8D 0 0.23661 -0.20853 0.31951 -0.18071 -0.20463 63 8D+1 0.07295 0.44445 0.44907 -0.15659 0.57608 64 8D-1 0.15274 -0.02445 0.52053 -0.35768 -0.34638 65 8D+2 0.15622 -0.16747 -0.03219 -0.23111 0.27908 66 8D-2 0.19699 -0.59345 0.17195 0.15389 0.39826 67 4 Cu 1S -0.03937 -0.00284 0.00147 -0.03229 -0.00149 68 2S -0.07982 -0.00628 0.00443 -0.10234 -0.00491 69 3S 0.47303 0.02650 -0.00314 -0.01840 -0.01031 70 4PX -0.00889 -0.00675 0.01072 -0.02627 0.01473 71 4PY 0.00953 0.00134 -0.00078 -0.03217 -0.00590 72 4PZ -0.01473 0.00301 -0.00585 -0.02855 -0.01418 73 5PX 0.06825 0.21442 -0.34982 0.70609 -0.52943 74 5PY 0.25117 -0.01315 0.02800 0.91361 0.18476 75 5PZ 0.02963 -0.13842 0.21033 0.74716 0.48057 76 6PX -0.09206 -0.21735 0.22523 -0.33333 0.37245 77 6PY -0.11194 0.02466 -0.01449 -0.51855 -0.10532 78 6PZ -0.10913 0.14222 -0.13913 -0.30110 -0.30530 79 7D 0 0.12763 -0.06747 0.06545 0.12137 0.10560 80 7D+1 0.27529 0.06238 -0.03891 0.05262 -0.03692 81 7D-1 0.05605 0.15867 -0.04694 -0.09291 -0.00842 82 7D+2 0.04639 -0.03054 -0.01655 0.14805 -0.03222 83 7D-2 0.06233 -0.24512 0.09400 -0.09912 0.02352 84 8D 0 -0.32861 0.17593 -0.18332 -0.33866 -0.30452 85 8D+1 -0.72886 -0.16769 0.10924 -0.14342 0.10770 86 8D-1 -0.13866 -0.43864 0.13395 0.25973 0.02515 87 8D+2 -0.10523 0.09096 0.04525 -0.41675 0.09407 88 8D-2 -0.16380 0.67519 -0.26638 0.27832 -0.06930 89 5 Cu 1S 0.01265 -0.00187 -0.00032 0.00004 -0.01135 90 2S 0.02921 -0.01073 0.01270 0.00628 0.01017 91 3S -0.07489 0.15780 0.04282 0.07316 0.33983 92 4PX 0.00952 0.00793 0.01439 0.01409 -0.00583 93 4PY 0.00083 0.01199 0.00613 0.00479 -0.01189 94 4PZ 0.01721 -0.01497 0.00742 0.00733 -0.00194 95 5PX 0.05913 -0.08485 -0.24724 -0.45105 0.10876 96 5PY 0.14651 -0.12789 -0.16523 -0.47413 0.05412 97 5PZ -0.19024 0.17695 0.00468 0.13360 0.33013 98 6PX 0.00337 0.07269 0.08591 0.33947 -0.19608 99 6PY -0.04972 0.09342 0.10862 0.37525 0.14282 100 6PZ 0.03054 -0.01440 -0.04856 -0.12040 -0.22741 101 7D 0 0.08518 -0.10668 0.00906 -0.03695 -0.06758 102 7D+1 -0.05326 0.03225 -0.01107 0.03615 0.00507 103 7D-1 0.01924 -0.01782 0.02117 0.05783 -0.01527 104 7D+2 -0.00077 -0.08202 -0.13065 -0.18817 0.07182 105 7D-2 0.01093 0.03066 0.04847 0.05489 -0.03096 106 8D 0 -0.20537 0.25966 -0.01037 0.12212 0.19868 107 8D+1 0.13656 -0.07849 0.01776 -0.10823 -0.02383 108 8D-1 -0.04034 0.04757 -0.05878 -0.15698 0.05603 109 8D+2 -0.02162 0.21321 0.34916 0.54152 -0.18208 110 8D-2 -0.02768 -0.06936 -0.13149 -0.14484 0.09203 111 6 Cu 1S 0.08487 0.00444 -0.00087 0.06714 0.00327 112 2S 0.21899 0.01039 -0.00299 0.20471 0.01222 113 3S 0.79172 0.00494 -0.01139 0.61412 0.06422 114 4PX -0.02234 -0.00052 -0.01179 -0.01311 -0.01842 115 4PY 0.01780 0.00009 0.00317 -0.03058 0.00050 116 4PZ -0.03587 -0.00076 0.00856 -0.01469 0.01087 117 5PX 0.42140 -0.00040 -0.01097 0.42862 -0.15218 118 5PY -0.12874 0.00296 -0.03413 0.76802 0.09119 119 5PZ 0.61219 0.02124 -0.00654 0.45533 0.17128 120 6PX -0.06130 0.15235 -0.08611 -0.11088 0.01923 121 6PY 0.27771 -0.02233 0.03892 -0.44330 -0.03284 122 6PZ -0.13989 -0.11855 0.06556 -0.08335 -0.02097 123 7D 0 -0.18378 0.00244 0.01939 -0.02801 -0.00384 124 7D+1 -0.30057 -0.00958 0.02161 -0.16934 -0.02685 125 7D-1 0.08673 0.01135 0.16842 -0.11579 -0.09724 126 7D+2 -0.07711 -0.00805 -0.08382 0.02858 0.04060 127 7D-2 0.05479 -0.01139 -0.21603 -0.14072 0.11203 128 8D 0 0.44892 -0.00501 -0.03973 0.07197 0.03249 129 8D+1 0.74142 0.02417 -0.06574 0.47754 0.07200 130 8D-1 -0.20916 -0.02780 -0.46313 0.31153 0.31322 131 8D+2 0.18592 0.01888 0.22409 -0.09326 -0.14473 132 8D-2 -0.13030 0.02821 0.59699 0.39575 -0.36457 133 7 Cu 1S 0.01100 0.00389 -0.00032 -0.00218 0.00816 134 2S 0.02699 0.01425 -0.01341 0.00380 -0.01407 135 3S -0.03240 -0.16304 -0.03659 0.09638 -0.29921 136 4PX 0.01230 0.01510 -0.00399 0.00275 0.00227 137 4PY 0.00065 -0.01562 -0.00822 0.00455 0.01353 138 4PZ 0.01499 0.00052 -0.01610 0.01276 0.00671 139 5PX -0.14753 -0.17552 -0.05581 0.20279 -0.23823 140 5PY 0.17694 0.16443 0.25586 -0.53926 -0.12285 141 5PZ -0.03933 -0.00999 0.23074 -0.23042 -0.25028 142 6PX 0.01718 0.01580 0.06052 -0.15933 0.09237 143 6PY -0.03928 -0.10258 -0.16500 0.44250 -0.05490 144 6PZ 0.02141 -0.04534 -0.06715 0.15044 0.30487 145 7D 0 -0.06224 0.00776 0.12821 -0.09568 -0.10180 146 7D+1 0.01033 0.00686 -0.04661 0.04897 0.06867 147 7D-1 0.01322 0.00140 -0.00791 0.00563 0.00442 148 7D+2 0.07214 0.14224 0.06756 -0.11933 -0.01054 149 7D-2 -0.01708 -0.02798 -0.04236 0.09632 0.02415 150 8D 0 0.13771 -0.02664 -0.33366 0.26669 0.28127 151 8D+1 -0.01360 -0.01400 0.12655 -0.13530 -0.18496 152 8D-1 -0.03872 -0.01389 0.02285 0.00008 -0.02555 153 8D+2 -0.18427 -0.35214 -0.19620 0.35670 0.01121 154 8D-2 0.05456 0.06887 0.12191 -0.27560 -0.06954 155 8 C 1S 0.00789 0.00043 0.00008 -0.00318 -0.00013 156 2S -0.08101 -0.00477 -0.00240 0.06457 0.00042 157 3S 0.24428 0.01727 -0.00287 0.07115 0.01164 158 4PX 0.04371 0.07915 -0.03117 -0.01393 0.00157 159 4PY 0.03710 -0.00993 0.00145 0.10132 0.00652 160 4PZ 0.05565 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0.07810 0.00906 0.01758 -0.08081 0.03409 47 3S 0.07846 -0.02405 0.25864 -0.51862 0.96983 48 4PX -0.02352 0.00471 0.02237 0.01674 -0.02517 49 4PY -0.01456 0.00963 0.01374 0.00118 0.01898 50 4PZ 0.00329 0.01088 -0.00777 -0.00782 0.00551 51 5PX 1.12669 -0.39028 -0.62317 -0.43716 0.62235 52 5PY 0.67631 -0.29916 -0.67960 0.29095 -0.42049 53 5PZ 0.23145 -0.52446 0.58125 -0.00473 0.38003 54 6PX -1.23968 0.30576 0.74239 0.31027 0.02564 55 6PY -0.84553 0.19964 0.64616 -0.00044 -0.43735 56 6PZ -0.25724 0.42365 -0.52063 0.03982 -0.22377 57 7D 0 0.03197 -0.06998 0.09279 -0.02265 0.04983 58 7D+1 0.02524 0.04214 -0.12536 0.00796 -0.05013 59 7D-1 0.03987 -0.08189 0.05579 -0.01016 -0.00907 60 7D+2 -0.22513 0.06242 0.15238 -0.01666 -0.04404 61 7D-2 0.06717 0.03376 -0.06486 -0.20945 -0.04078 62 8D 0 -0.10183 0.21078 -0.26777 0.05362 -0.16071 63 8D+1 -0.08596 -0.11108 0.37309 -0.04037 0.17014 64 8D-1 -0.14928 0.25907 -0.17237 0.03584 0.01459 65 8D+2 0.65757 -0.19101 -0.44804 0.06079 0.13910 66 8D-2 -0.19944 -0.08693 0.16916 0.61983 0.12734 67 4 Cu 1S 0.00017 -0.00837 0.00044 0.04749 0.34306 68 2S 0.00052 -0.02130 0.00121 0.19480 0.78187 69 3S 0.00367 -0.07864 0.00520 -0.02782 -1.24908 70 4PX -0.01839 -0.02882 -0.04634 0.00798 0.01757 71 4PY 0.00498 -0.04535 0.01056 -0.04275 -0.02047 72 4PZ 0.01508 -0.02198 0.03608 0.02075 0.02935 73 5PX 0.48862 0.76971 1.39208 -0.13731 0.02801 74 5PY -0.13153 1.23730 -0.31077 1.31040 -0.70856 75 5PZ -0.39376 0.55641 -1.06512 -0.50191 0.22591 76 6PX -0.47995 -0.37821 -0.95025 -0.06749 -0.04166 77 6PY 0.10110 -0.56895 0.17632 -0.26442 -0.29903 78 6PZ 0.36046 -0.19896 0.69312 -0.02209 0.01815 79 7D 0 -0.09157 0.10561 -0.26710 0.00286 0.03157 80 7D+1 0.03483 -0.01518 0.10563 -0.09253 0.04325 81 7D-1 -0.01894 -0.04827 -0.04803 0.28321 -0.05577 82 7D+2 0.04516 0.22847 0.14099 0.15690 0.00697 83 7D-2 0.01010 -0.10013 0.01036 0.14000 -0.03833 84 8D 0 0.26210 -0.29937 0.77395 -0.01626 -0.10279 85 8D+1 -0.09986 0.04383 -0.30590 0.25536 -0.12712 86 8D-1 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-0.00937 106 8D 0 -0.31284 0.27892 -0.64169 0.41373 -0.08348 107 8D+1 0.07491 -0.06721 0.23790 -0.15831 0.14489 108 8D-1 -0.12910 0.07623 -0.15418 0.03377 -0.14420 109 8D+2 0.45384 -0.29429 -0.17852 0.23902 0.01467 110 8D-2 -0.25285 0.16573 -0.03109 0.09576 0.03765 111 6 Cu 1S -0.00386 0.06295 -0.00427 -0.05685 -0.20478 112 2S -0.01060 0.18050 -0.01233 -0.11227 -0.33074 113 3S -0.01372 0.26578 -0.02275 0.28559 1.22173 114 4PX 0.03740 0.00106 0.00867 -0.00116 -0.01566 115 4PY -0.00601 0.02169 -0.00309 0.00517 -0.00373 116 4PZ -0.02576 -0.00793 -0.00566 -0.00362 -0.02093 117 5PX -1.58632 -0.04866 -0.18714 -0.01157 0.27016 118 5PY 0.27440 -1.11406 0.11000 0.07663 -0.17062 119 5PZ 1.09740 0.32743 0.11044 -0.02808 0.41282 120 6PX 1.60815 0.14427 0.21869 0.10182 0.29557 121 6PY -0.27034 0.83061 -0.09702 0.13913 -0.13385 122 6PZ -1.12697 -0.14012 -0.15174 0.10254 0.48211 123 7D 0 -0.27363 -0.09381 -0.00285 0.01574 -0.01253 124 7D+1 0.11612 0.06940 0.00257 0.06949 0.00993 125 7D-1 -0.02105 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0.02832 145 7D 0 0.15736 0.15282 0.05995 0.02800 -0.04291 146 7D+1 -0.08709 -0.08781 -0.02906 -0.02310 -0.02490 147 7D-1 -0.02894 -0.02646 -0.02994 -0.05671 0.01000 148 7D+2 -0.00561 -0.05029 -0.21086 -0.15418 0.05221 149 7D-2 -0.02158 -0.00751 0.03811 0.06254 0.03032 150 8D 0 -0.51554 -0.45048 -0.16192 -0.07714 0.12248 151 8D+1 0.27337 0.25284 0.09702 0.07134 0.07602 152 8D-1 0.09188 0.07849 0.09372 0.14892 -0.01959 153 8D+2 -0.01060 0.16024 0.64669 0.43544 -0.15312 154 8D-2 0.07853 0.00590 -0.12661 -0.18320 -0.08880 155 8 C 1S 0.00005 -0.00130 0.00007 0.01784 -0.02375 156 2S 0.00308 -0.06874 0.00585 -0.40620 0.20486 157 3S -0.00728 0.23167 -0.01314 0.85617 -1.98558 158 4PX -0.00585 0.02145 0.01046 0.09368 -0.07143 159 4PY -0.00231 0.06579 -0.00821 -0.31285 0.35516 160 4PZ 0.00284 0.01600 -0.01040 0.20769 -0.18842 161 5PX -0.03239 -0.15099 -0.14882 -0.02456 0.22916 162 5PY 0.01302 -0.16702 0.03925 0.03784 0.26443 163 5PZ 0.03482 -0.15728 0.12754 -0.04760 0.24534 164 9 O 1S 0.00002 -0.00216 0.00004 0.00577 0.05169 165 2S 0.00061 0.01745 0.00082 0.00668 -1.15365 166 3S -0.00048 -0.04925 -0.00046 -0.26588 2.17096 167 4PX 0.00280 -0.00840 -0.01275 0.01367 0.03278 168 4PY -0.00084 0.00670 0.00131 -0.06761 0.01995 169 4PZ -0.00099 -0.01277 0.01050 0.03686 0.03843 170 5PX -0.00063 0.02484 0.04427 -0.02579 -0.21561 171 5PY -0.00238 0.04613 -0.01163 -0.09186 0.62527 172 5PZ -0.00149 0.02082 -0.03455 -0.01257 -0.45140 166 167 168 169 170 V V V V V EIGENVALUES -- 1.68197 1.80325 1.84191 2.21381 2.24513 1 1 Cu 1S -0.38686 -0.00204 0.40896 -0.01307 0.31584 2 2S -0.80050 -0.00446 0.89070 -0.02869 0.67176 3 3S -0.25388 0.01409 0.28409 0.09167 -1.21855 4 4PX -0.00866 -0.00891 0.01574 0.00564 0.00730 5 4PY -0.00387 0.00125 0.01389 -0.00082 0.00381 6 4PZ -0.01110 0.00611 0.01949 -0.00491 0.00882 7 5PX 0.40840 0.27284 -0.57840 0.06161 -0.34979 8 5PY 0.35661 -0.03726 -0.65500 -0.00245 -0.16956 9 5PZ 0.50052 -0.19095 -0.69867 -0.01251 -0.48102 10 6PX -0.12270 0.10953 0.25113 0.30728 0.12282 11 6PY 0.04031 -0.02028 0.24064 -0.04782 -0.19527 12 6PZ -0.18267 -0.08039 0.31769 -0.23519 0.18142 13 7D 0 0.03764 -0.08549 -0.02214 -0.04925 -0.04802 14 7D+1 0.04184 0.03128 -0.05872 0.02577 -0.04496 15 7D-1 0.04793 -0.04005 -0.06133 0.00248 -0.01860 16 7D+2 0.05234 0.06140 -0.01214 0.02940 -0.04539 17 7D-2 0.02379 0.03391 -0.04550 -0.01552 -0.00421 18 8D 0 -0.12004 0.25954 0.07032 0.17588 0.17131 19 8D+1 -0.13787 -0.09360 0.19967 -0.09085 0.16144 20 8D-1 -0.16155 0.12986 0.20253 -0.00525 0.08045 21 8D+2 -0.16481 -0.18956 0.03071 -0.10633 0.16489 22 8D-2 -0.08301 -0.11439 0.15358 0.04866 0.02345 23 2 Cu 1S 0.28216 -0.88197 -0.50462 -0.54849 -0.73035 24 2S 0.64720 -1.85524 -1.05994 -1.05620 -1.35603 25 3S -0.35121 1.36035 0.63073 1.05328 1.10967 26 4PX 0.00425 -0.01561 -0.01204 -0.00306 0.02158 27 4PY 0.01039 -0.01586 -0.01085 0.02528 0.02637 28 4PZ -0.01426 0.01276 0.00579 0.00773 -0.00077 29 5PX 0.08382 0.48776 0.43313 0.43533 -0.14074 30 5PY -0.32555 0.83712 0.21165 -0.21274 -0.35420 31 5PZ 0.22156 -0.40881 -0.50117 -0.41585 -0.28055 32 6PX -0.09578 -0.43626 -0.37593 -1.32933 -0.04380 33 6PY -0.01984 -0.52356 -0.13934 1.22413 -0.07011 34 6PZ -0.12330 0.10505 0.10044 0.22303 0.81625 35 7D 0 -0.03265 -0.02649 0.01981 0.02900 0.06462 36 7D+1 -0.00161 -0.06205 0.01433 -0.02029 0.00909 37 7D-1 -0.01952 0.04036 0.01656 -0.00278 -0.01754 38 7D+2 0.07537 -0.02905 0.02500 0.06366 -0.02024 39 7D-2 0.00358 0.02704 0.08568 0.01109 -0.01733 40 8D 0 0.10280 0.08828 -0.07553 -0.10191 -0.23085 41 8D+1 0.01602 0.20374 -0.05792 0.07707 -0.03066 42 8D-1 0.09006 -0.15546 -0.06566 0.00469 0.03877 43 8D+2 -0.25126 0.11502 -0.07946 -0.22442 0.06977 44 8D-2 -0.01472 -0.08452 -0.29494 -0.04695 0.05339 45 3 Cu 1S 0.30555 0.88794 -0.48672 0.63880 -0.65010 46 2S 0.69524 1.86478 -1.02295 1.22273 -1.19877 47 3S -0.41972 -1.38851 0.59149 -1.23845 1.03638 48 4PX -0.01280 -0.01343 0.00652 -0.01210 -0.00443 49 4PY 0.01320 0.01983 -0.01387 -0.02630 0.02787 50 4PZ -0.00236 0.00764 -0.00765 0.00169 0.01629 51 5PX 0.11311 0.36953 -0.53866 0.56934 -0.19640 52 5PY -0.34699 -0.95495 0.36095 0.10306 -0.34840 53 5PZ 0.19580 -0.20510 0.20452 -0.28336 -0.21605 54 6PX -0.09496 -0.14087 0.15354 -0.94790 0.64237 55 6PY -0.00663 0.61732 -0.23351 -0.83897 -0.30860 56 6PZ -0.11117 0.30129 -0.29817 1.29717 0.41830 57 7D 0 0.06492 0.05468 0.00084 -0.02095 -0.02595 58 7D+1 -0.03555 0.04933 0.03436 0.00828 0.04693 59 7D-1 0.02244 -0.03706 0.08683 -0.02456 -0.03747 60 7D+2 0.00605 0.00993 0.00366 -0.05593 0.02727 61 7D-2 -0.03241 -0.02610 -0.01613 0.03417 -0.01341 62 8D 0 -0.20996 -0.19359 -0.00033 0.06852 0.09474 63 8D+1 0.12117 -0.16015 -0.12978 -0.03241 -0.16655 64 8D-1 -0.06814 0.12087 -0.29902 0.09821 0.11807 65 8D+2 -0.01890 -0.03475 -0.01502 0.19871 -0.10429 66 8D-2 0.13516 0.11144 0.04663 -0.11682 0.03161 67 4 Cu 1S -0.15750 0.00219 0.08152 -0.03751 0.62685 68 2S -0.30486 0.00572 0.21618 -0.07108 1.17267 69 3S 2.45580 -0.00624 0.70163 0.10552 -2.06239 70 4PX 0.02234 0.01548 0.01684 -0.03764 0.02625 71 4PY -0.02330 -0.00237 0.01593 0.00781 -0.04392 72 4PZ 0.03580 -0.01182 0.02044 0.02229 0.05203 73 5PX -0.45672 -0.49247 -0.51403 0.58417 0.19878 74 5PY 0.34399 0.08974 -0.51642 -0.02843 -0.60448 75 5PZ -0.69065 0.34943 -0.61128 -0.46532 0.33765 76 6PX -0.04347 -0.24328 -0.19163 0.23340 -0.11842 77 6PY 0.63609 0.02768 -0.33711 -0.08707 0.72793 78 6PZ -0.22648 0.17534 -0.19052 -0.13649 -0.38001 79 7D 0 -0.02223 0.02852 -0.01121 -0.04623 -0.00686 80 7D+1 0.02243 -0.00758 0.02893 0.01578 0.01650 81 7D-1 -0.09921 0.03585 0.02510 -0.01898 -0.00586 82 7D+2 -0.08944 -0.02754 -0.03016 0.03419 -0.01740 83 7D-2 -0.04040 -0.03940 0.02925 0.01483 0.00463 84 8D 0 0.07119 -0.09848 0.02883 0.16028 0.02649 85 8D+1 -0.09062 0.02428 -0.12597 -0.05571 -0.04672 86 8D-1 0.35805 -0.13935 -0.10187 0.06927 -0.02593 87 8D+2 0.31282 0.10190 0.10080 -0.11700 0.04304 88 8D-2 0.14789 0.15757 -0.11318 -0.04904 -0.04149 89 5 Cu 1S -0.50428 0.50040 -0.35411 -1.02868 -0.43039 90 2S -1.06952 1.07126 -0.75202 -1.93363 -0.75264 91 3S -0.46768 -0.08806 -0.27748 3.37494 0.16423 92 4PX -0.01416 0.01316 -0.01787 0.02230 0.01138 93 4PY 0.01150 -0.02251 0.01138 -0.01687 -0.01810 94 4PZ 0.01097 -0.01050 0.00659 -0.02167 -0.00977 95 5PX 0.61833 -0.43175 0.71605 0.07475 0.08871 96 5PY -0.67029 0.92750 -0.31982 -0.21205 -0.00739 97 5PZ -0.55824 0.54440 -0.44403 -0.01533 0.00765 98 6PX -0.12749 0.18813 -0.04649 0.07556 -0.01714 99 6PY 0.00459 -0.38214 0.29069 0.60691 -0.21099 100 6PZ 0.03292 -0.15570 0.12296 -0.43524 -0.04391 101 7D 0 -0.04476 0.03752 -0.02253 0.00541 0.04493 102 7D+1 -0.04307 0.02380 -0.05307 0.01144 -0.02463 103 7D-1 0.05246 -0.07351 0.00900 0.00893 0.01044 104 7D+2 -0.00557 0.07523 0.08182 0.01710 0.00771 105 7D-2 -0.06047 0.05372 -0.06946 -0.01812 0.02600 106 8D 0 0.13985 -0.11749 0.06813 -0.00812 -0.14871 107 8D+1 0.14517 -0.07998 0.18163 -0.02936 0.08391 108 8D-1 -0.18290 0.24362 -0.02841 -0.04100 -0.03261 109 8D+2 0.02212 -0.24547 -0.25234 -0.05482 -0.02133 110 8D-2 0.19747 -0.18322 0.22475 0.08409 -0.07867 111 6 Cu 1S 0.26917 -0.00991 1.06976 0.05512 -0.94797 112 2S 0.59511 -0.02271 2.23573 0.09855 -1.72098 113 3S -0.23101 -0.01392 -1.47753 -0.19374 2.93127 114 4PX -0.00867 -0.00302 -0.01750 -0.03424 -0.03111 115 4PY 0.00498 0.00076 -0.00883 0.00615 -0.00654 116 4PZ -0.01293 0.00323 -0.02296 0.02808 -0.03831 117 5PX 0.10118 -0.16438 0.70573 0.58643 0.27599 118 5PY -0.40410 0.02042 0.29595 -0.08865 -0.17155 119 5PZ 0.22986 0.08530 0.95734 -0.46349 0.35924 120 6PX 0.02605 -0.14023 -0.38035 -1.47659 0.32890 121 6PY 0.12674 0.02839 -0.50966 0.20440 0.46983 122 6PZ 0.03097 0.09780 -0.44873 0.98222 0.55756 123 7D 0 -0.01246 -0.00649 -0.00510 0.09032 0.00637 124 7D+1 0.04991 0.01064 0.02249 -0.03873 0.00389 125 7D-1 0.04197 0.05501 -0.06860 0.00441 -0.02001 126 7D+2 -0.04178 -0.01912 -0.04323 -0.04804 -0.01099 127 7D-2 0.04658 -0.07659 -0.03309 0.02106 -0.01063 128 8D 0 0.03266 0.02655 0.01396 -0.31462 -0.01892 129 8D+1 -0.19331 -0.03827 -0.09893 0.13403 -0.00528 130 8D-1 -0.13413 -0.19094 0.23397 -0.01482 0.05323 131 8D+2 0.14387 0.06433 0.15564 0.16767 0.03321 132 8D-2 -0.15571 0.26732 0.10745 -0.07233 0.02831 133 7 Cu 1S -0.52111 -0.47934 -0.35818 1.07483 -0.30784 134 2S -1.10666 -1.02751 -0.76146 2.01403 -0.52471 135 3S -0.45042 0.11138 -0.28966 -3.31712 -0.27460 136 4PX 0.01763 0.01775 0.01434 0.03188 -0.01193 137 4PY 0.00731 0.01769 0.00716 0.01031 -0.01255 138 4PZ -0.01117 -0.01150 -0.01614 -0.01654 0.00761 139 5PX -0.87700 -0.79376 -0.71524 0.09515 -0.02813 140 5PY -0.46518 -0.72006 -0.11424 0.18494 0.01467 141 5PZ 0.48006 0.32142 0.56484 -0.10621 0.08569 142 6PX 0.08959 0.27625 0.19220 0.31512 -0.04009 143 6PY -0.01942 0.30754 0.25227 -0.63470 -0.28517 144 6PZ -0.10240 -0.17533 -0.05014 0.16020 0.02062 145 7D 0 -0.00701 -0.05021 0.05143 -0.01660 -0.03193 146 7D+1 -0.07339 -0.03287 -0.09126 -0.00343 0.00856 147 7D-1 -0.03108 -0.03956 -0.02629 0.00439 0.02661 148 7D+2 0.00904 -0.02080 0.05727 -0.02217 0.03721 149 7D-2 0.06606 0.09892 0.00027 -0.00736 -0.01515 150 8D 0 0.03128 0.16456 -0.15089 0.05638 0.10838 151 8D+1 0.23927 0.10800 0.29674 -0.00614 -0.02771 152 8D-1 0.09854 0.13461 0.08928 -0.03188 -0.08165 153 8D+2 -0.03815 0.06013 -0.18574 0.07787 -0.12245 154 8D-2 -0.22408 -0.32577 0.00015 0.04094 0.05058 155 8 C 1S 0.00719 -0.00012 -0.00305 -0.00071 0.00872 156 2S 0.22556 -0.00403 0.04597 -0.02948 0.30025 157 3S 1.54177 -0.02547 -0.60510 0.03308 0.29310 158 4PX -0.02790 -0.01353 -0.01870 0.05891 -0.01930 159 4PY -0.09855 0.00410 0.04551 -0.00734 -0.07415 160 4PZ -0.01239 0.01070 -0.03914 -0.03866 -0.01580 161 5PX 0.02230 0.20384 0.13043 -0.50571 0.47752 162 5PY -0.56523 -0.01753 0.39523 0.15238 -1.26025 163 5PZ 0.16881 -0.15476 0.09027 0.26568 1.04002 164 9 O 1S -0.05601 0.00099 0.01288 0.00094 -0.01980 165 2S 1.30249 -0.02554 -0.35898 -0.03999 0.82482 166 3S -2.41863 0.05052 0.76564 0.09173 -1.94430 167 4PX -0.01371 0.02746 0.01253 -0.06647 0.04748 168 4PY 0.04195 -0.00513 0.00805 0.01070 0.00023 169 4PZ -0.03004 -0.01966 0.01578 0.04130 0.07387 170 5PX 0.14101 -0.10728 -0.08508 0.24805 -0.11483 171 5PY -0.67403 0.02987 0.14425 -0.02134 -0.41283 172 5PZ 0.36734 0.06962 -0.15648 -0.16246 -0.08527 171 172 V V EIGENVALUES -- 2.36400 10.22224 1 1 Cu 1S -1.14221 -0.42823 2 2S -2.12174 -0.65377 3 3S 3.32183 -2.76635 4 4PX 0.02094 0.01023 5 4PY 0.02964 0.01249 6 4PZ 0.02340 0.01191 7 5PX 0.14731 0.32703 8 5PY 0.15490 0.86371 9 5PZ 0.18085 0.28438 10 6PX -0.23977 0.31887 11 6PY 0.48024 0.48903 12 6PZ -0.45553 0.33311 13 7D 0 -0.01464 0.00127 14 7D+1 0.00048 -0.00228 15 7D-1 0.00348 0.01750 16 7D+2 -0.02343 0.00917 17 7D-2 0.00952 0.00929 18 8D 0 0.04313 0.00282 19 8D+1 -0.02282 -0.00209 20 8D-1 -0.02815 -0.11224 21 8D+2 0.07858 -0.02894 22 8D-2 -0.04595 -0.07079 23 2 Cu 1S -0.56139 -1.08287 24 2S -1.07965 -1.71154 25 3S 0.38725 0.46890 26 4PX 0.00118 0.02229 27 4PY -0.02063 0.04798 28 4PZ -0.03397 -0.05347 29 5PX 0.30754 0.18904 30 5PY 0.87532 0.66766 31 5PZ 0.32160 -0.72071 32 6PX -0.70029 -0.02933 33 6PY -1.00470 0.01513 34 6PZ -1.40165 0.67108 35 7D 0 -0.07762 0.00183 36 7D+1 0.00748 0.00179 37 7D-1 -0.02319 -0.01674 38 7D+2 -0.04053 -0.00149 39 7D-2 0.02115 -0.00210 40 8D 0 0.27842 -0.02440 41 8D+1 -0.02240 0.02605 42 8D-1 0.08180 0.14262 43 8D+2 0.14689 0.02000 44 8D-2 -0.08595 -0.01997 45 3 Cu 1S -0.55792 -1.07230 46 2S -1.07303 -1.69642 47 3S 0.40898 0.42504 48 4PX -0.03583 -0.04659 49 4PY -0.01476 0.05781 50 4PZ -0.00791 -0.00491 51 5PX 0.36715 -0.59698 52 5PY 0.84904 0.78727 53 5PZ 0.27967 -0.16447 54 6PX -1.26473 0.63391 55 6PY -0.91079 -0.06322 56 6PZ -0.98985 0.19098 57 7D 0 -0.00293 0.00072 58 7D+1 -0.02090 0.00318 59 7D-1 0.00371 -0.00840 60 7D+2 -0.09015 -0.00473 61 7D-2 0.00377 -0.01411 62 8D 0 0.01621 0.03166 63 8D+1 0.07564 -0.01227 64 8D-1 -0.02269 0.03996 65 8D+2 0.32474 0.03576 66 8D-2 -0.01110 0.13792 67 4 Cu 1S 0.25190 -3.36939 68 2S 0.44390 -5.41636 69 3S -1.14707 12.36672 70 4PX -0.01194 0.03866 71 4PY -0.06362 -0.05238 72 4PZ -0.00246 0.06596 73 5PX 0.27953 -2.61819 74 5PY 1.32681 5.50791 75 5PZ 0.09417 -4.97535 76 6PX 0.35654 -0.70671 77 6PY 0.85862 -1.54805 78 6PZ 0.32671 -0.58555 79 7D 0 0.00867 0.00340 80 7D+1 -0.02214 0.02557 81 7D-1 -0.00530 -0.06817 82 7D+2 0.02825 -0.03355 83 7D-2 -0.01443 -0.03491 84 8D 0 -0.03140 -0.02869 85 8D+1 0.07300 -0.20066 86 8D-1 0.02740 0.50430 87 8D+2 -0.09466 0.25053 88 8D-2 0.05493 0.25660 89 5 Cu 1S 0.59561 -0.28213 90 2S 1.14840 -0.44116 91 3S -1.07964 -3.31965 92 4PX 0.00198 0.00642 93 4PY 0.00875 -0.01485 94 4PZ 0.00514 0.00807 95 5PX -0.23359 0.31674 96 5PY 0.28922 -0.28465 97 5PZ 0.25890 -0.78932 98 6PX 0.31690 0.27107 99 6PY -0.07974 0.30055 100 6PZ 0.49326 -1.03256 101 7D 0 0.01038 -0.00823 102 7D+1 0.02084 -0.00841 103 7D-1 0.00804 0.01379 104 7D+2 0.03943 0.00213 105 7D-2 -0.00588 -0.00133 106 8D 0 -0.04109 0.04163 107 8D+1 -0.07498 0.05986 108 8D-1 -0.02163 -0.09854 109 8D+2 -0.15109 -0.00838 110 8D-2 0.00969 0.02001 111 6 Cu 1S 0.42062 -0.85254 112 2S 0.81606 -1.36836 113 3S -0.78092 0.15528 114 4PX 0.00057 -0.03449 115 4PY -0.00976 0.00278 116 4PZ 0.00300 -0.04947 117 5PX 0.24945 -0.51857 118 5PY 0.65311 0.02802 119 5PZ 0.21974 -0.74439 120 6PX 0.05325 0.17291 121 6PY -1.54027 0.09362 122 6PZ 0.41816 0.20000 123 7D 0 0.01741 0.01150 124 7D+1 -0.01557 0.02092 125 7D-1 -0.04644 -0.00403 126 7D+2 0.02480 0.00379 127 7D-2 -0.04256 -0.00168 128 8D 0 -0.06395 -0.08795 129 8D+1 0.05396 -0.16167 130 8D-1 0.17964 0.01470 131 8D+2 -0.08645 -0.03315 132 8D-2 0.16094 0.00254 133 7 Cu 1S 0.60090 -0.27749 134 2S 1.15683 -0.43480 135 3S -1.12256 -3.30494 136 4PX 0.00668 0.00293 137 4PY 0.00810 -0.01435 138 4PZ 0.00248 0.01113 139 5PX 0.36352 -0.87513 140 5PY 0.18553 -0.09565 141 5PZ -0.16417 0.05724 142 6PX 0.33124 -0.98522 143 6PY -0.07997 0.49763 144 6PZ 0.48320 -0.17261 145 7D 0 0.03686 -0.00134 146 7D+1 0.00910 -0.01248 147 7D-1 0.00795 0.00550 148 7D+2 0.02448 0.00171 149 7D-2 0.00140 0.01142 150 8D 0 -0.13637 0.01736 151 8D+1 -0.03507 0.08070 152 8D-1 -0.03892 -0.02690 153 8D+2 -0.08931 -0.02438 154 8D-2 0.00696 -0.08307 155 8 C 1S -0.00116 -0.05003 156 2S -0.17397 -0.93998 157 3S 1.64177 4.22807 158 4PX 0.04002 -0.05947 159 4PY -0.07209 0.08458 160 4PZ 0.07758 -0.10312 161 5PX -0.20332 -1.35837 162 5PY -0.96206 3.40852 163 5PZ -0.06450 -2.71941 164 9 O 1S -0.01667 -0.01028 165 2S 0.69737 -0.48045 166 3S -1.70871 1.71002 167 4PX -0.01806 -0.09235 168 4PY -0.04808 0.11186 169 4PZ -0.01711 -0.15544 170 5PX 0.14882 0.42951 171 5PY -0.22573 -0.18152 172 5PZ 0.27820 0.63417 Beta Molecular Orbital Coefficients. 1 2 3 4 5 O O O O O EIGENVALUES -- -19.26051 -10.34243 -4.34319 -4.30046 -4.30019 1 1 Cu 1S -0.00010 0.00028 0.00041 0.00871 0.00447 2 2S -0.00017 0.00039 -0.00077 -0.00063 -0.00032 3 3S -0.00013 -0.00247 -0.00364 -0.00077 -0.00042 4 4PX 0.00000 -0.00001 0.00002 0.00009 0.00010 5 4PY 0.00001 -0.00005 0.00008 0.00007 0.00003 6 4PZ 0.00000 0.00000 0.00002 0.00016 0.00004 7 5PX -0.00002 0.00001 0.00065 -0.00026 0.00068 8 5PY 0.00015 0.00025 0.00191 -0.00014 -0.00019 9 5PZ -0.00006 -0.00004 0.00053 0.00035 -0.00037 10 6PX -0.00011 0.00055 0.00045 0.00047 -0.00018 11 6PY 0.00013 0.00035 0.00016 0.00073 0.00045 12 6PZ -0.00017 0.00070 0.00059 0.00014 0.00037 13 7D 0 0.00000 0.00000 0.00003 -0.00008 0.00006 14 7D+1 0.00000 -0.00001 0.00000 -0.00004 -0.00006 15 7D-1 0.00000 -0.00003 0.00001 -0.00005 0.00001 16 7D+2 0.00000 -0.00001 0.00005 -0.00002 -0.00007 17 7D-2 0.00000 -0.00002 -0.00001 -0.00001 -0.00002 18 8D 0 0.00002 0.00001 -0.00005 0.00027 -0.00016 19 8D+1 0.00001 0.00005 -0.00006 0.00017 0.00020 20 8D-1 -0.00001 0.00016 -0.00016 0.00015 -0.00002 21 8D+2 0.00002 0.00003 -0.00009 0.00004 0.00021 22 8D-2 -0.00001 0.00011 -0.00009 0.00004 0.00007 23 2 Cu 1S -0.00004 0.00045 0.00032 0.95270 -0.31034 24 2S -0.00008 0.00071 -0.00143 0.00854 -0.00383 25 3S -0.00094 0.00262 -0.00168 0.00658 -0.00449 26 4PX 0.00000 0.00000 0.00003 0.00247 -0.00070 27 4PY 0.00000 -0.00002 0.00010 0.00246 -0.00081 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0.00110 99 6PY -0.00432 0.00482 -0.00106 -0.00316 -0.00211 100 6PZ 0.00603 -0.00259 0.00306 0.00681 -0.00350 101 7D 0 -0.00023 0.00017 -0.00001 -0.00025 0.00009 102 7D+1 0.00027 -0.00005 0.00004 -0.00009 0.00001 103 7D-1 -0.00019 0.00020 -0.00001 0.00028 -0.00008 104 7D+2 0.00001 -0.00002 -0.00002 -0.00040 0.00010 105 7D-2 0.00011 -0.00009 0.00002 -0.00023 0.00009 106 8D 0 0.00105 -0.00087 -0.00005 0.00125 -0.00044 107 8D+1 -0.00153 -0.00004 -0.00011 0.00034 0.00001 108 8D-1 0.00092 -0.00116 -0.00019 -0.00129 0.00028 109 8D+2 0.00004 0.00026 0.00008 0.00214 -0.00056 110 8D-2 -0.00066 0.00042 0.00011 0.00075 -0.00028 111 6 Cu 1S -0.00001 0.00124 -0.00198 0.00199 0.00116 112 2S 0.00000 0.00084 -0.00154 0.00112 0.00070 113 3S -0.00006 0.00694 -0.01553 -0.00070 0.00059 114 4PX 0.00070 -0.00310 0.06515 -0.10484 0.05365 115 4PY -0.00013 0.00106 0.06756 -0.06306 -0.05885 116 4PZ -0.00041 -0.00467 0.06399 -0.04182 -0.11184 117 5PX -0.00167 0.00201 -0.00050 -0.00219 -0.00224 118 5PY 0.00026 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0.00133 -0.00380 0.00026 0.00033 158 4PX 0.00070 0.00017 0.00007 -0.00002 -0.00015 159 4PY -0.00012 0.00163 -0.00018 0.00002 0.00004 160 4PZ -0.00053 -0.00016 0.00017 -0.00013 0.00002 161 5PX -0.00365 -0.00329 0.00194 -0.00080 0.00200 162 5PY 0.00074 -0.00337 -0.00177 0.00110 0.00032 163 5PZ 0.00270 -0.00382 0.00244 0.00052 -0.00171 164 9 O 1S 0.00000 0.00001 0.00001 0.00000 0.00000 165 2S -0.00001 0.00009 0.00013 -0.00012 -0.00009 166 3S 0.00005 -0.00020 -0.00063 0.00052 0.00038 167 4PX -0.00024 -0.00019 0.00013 -0.00005 0.00010 168 4PY 0.00005 -0.00007 -0.00004 0.00011 0.00003 169 4PZ 0.00018 -0.00025 0.00017 0.00001 -0.00010 170 5PX 0.00119 0.00098 -0.00078 0.00031 -0.00068 171 5PY -0.00022 0.00133 0.00017 -0.00046 -0.00008 172 5PZ -0.00089 0.00106 -0.00089 -0.00015 0.00061 16 17 18 19 20 O O O O O EIGENVALUES -- -2.80786 -2.80618 -2.80572 -2.80450 -2.80441 1 1 Cu 1S -0.00031 -0.00104 -0.00023 0.00002 0.00017 2 2S -0.00015 -0.00017 -0.00005 0.00002 0.00053 3 3S -0.00032 -0.00599 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7D+1 -0.00005 0.00013 0.00030 0.00060 -0.00204 59 7D-1 0.00007 -0.00016 -0.00056 -0.00028 0.00319 60 7D+2 -0.00006 -0.00070 0.00073 -0.00080 -0.00360 61 7D-2 -0.00019 -0.00342 0.01042 -0.00143 -0.01775 62 8D 0 0.00104 0.00073 0.00255 -0.00048 -0.00431 63 8D+1 0.00041 -0.00036 0.00058 0.00011 -0.00143 64 8D-1 -0.00053 0.00018 -0.00096 -0.00026 0.00241 65 8D+2 0.00029 0.00047 -0.00010 -0.00060 -0.00105 66 8D-2 0.00072 -0.00008 0.00355 -0.00036 -0.00505 67 4 Cu 1S 0.00115 -0.01101 0.01013 -0.00001 -0.00513 68 2S 0.01239 0.08018 -0.10310 0.00007 0.15867 69 3S -0.10764 -0.21695 0.07533 0.00079 -0.08408 70 4PX -0.00002 -0.00977 0.00715 -0.00732 -0.01619 71 4PY 0.00172 0.02613 -0.03105 0.00141 0.02737 72 4PZ -0.00046 -0.01999 0.01769 0.00538 -0.02905 73 5PX 0.00496 0.00212 -0.00653 -0.00066 0.03058 74 5PY -0.02863 -0.02655 0.03050 -0.00058 -0.04983 75 5PZ 0.01359 0.00972 -0.01585 -0.00002 0.05507 76 6PX 0.00016 0.03351 0.03701 0.04457 0.02902 77 6PY -0.03083 0.08791 0.11077 -0.01132 -0.06628 78 6PZ 0.00787 0.02561 0.02718 -0.03555 0.05688 79 7D 0 -0.00066 0.00097 0.02286 -0.04256 0.03982 80 7D+1 -0.00057 0.02347 -0.02268 0.02132 0.09365 81 7D-1 0.00014 -0.06265 0.11358 0.02550 -0.16806 82 7D+2 -0.00070 -0.03481 0.09179 0.00815 -0.05045 83 7D-2 0.00030 -0.03077 0.04731 -0.04651 -0.09497 84 8D 0 0.00222 -0.00001 0.00709 -0.01172 0.01081 85 8D+1 0.00780 0.00973 -0.00465 0.00587 0.02819 86 8D-1 -0.01711 -0.02824 0.02839 0.00680 -0.05567 87 8D+2 -0.00711 -0.01587 0.02464 0.00236 -0.01886 88 8D-2 -0.00911 -0.01385 0.01130 -0.01247 -0.03095 89 5 Cu 1S 0.00112 -0.00007 0.00131 -0.00040 -0.00106 90 2S 0.00145 0.00682 -0.01343 0.00480 0.01839 91 3S 0.01826 0.07587 0.00366 0.00860 -0.02205 92 4PX 0.00001 0.00065 -0.00126 -0.00023 0.00183 93 4PY 0.00004 -0.00016 0.00063 0.00061 -0.00242 94 4PZ 0.00006 -0.00233 0.00364 -0.00154 -0.00411 95 5PX -0.00347 -0.00807 -0.00085 -0.00227 0.00445 96 5PY 0.00359 0.00650 0.00098 0.00341 -0.00268 97 5PZ 0.00335 0.01601 -0.00343 0.00770 0.00294 98 6PX 0.00018 -0.00815 -0.00476 -0.01151 -0.00347 99 6PY 0.00723 -0.01724 -0.02334 0.00385 0.00852 100 6PZ 0.00334 0.03459 0.01281 -0.00438 -0.01815 101 7D 0 0.00008 0.00325 -0.00610 0.00355 0.00550 102 7D+1 0.00007 -0.00103 0.00336 0.00167 -0.00487 103 7D-1 -0.00022 -0.00018 0.00044 -0.00338 0.00568 104 7D+2 -0.00004 -0.00016 0.00107 0.00005 -0.00108 105 7D-2 0.00005 -0.00042 0.00155 0.00050 -0.00552 106 8D 0 -0.00037 0.00056 -0.00196 0.00273 0.00139 107 8D+1 -0.00062 -0.00045 0.00061 0.00035 -0.00163 108 8D-1 0.00170 0.00046 0.00080 -0.00141 0.00227 109 8D+2 0.00024 -0.00029 0.00055 -0.00019 -0.00061 110 8D-2 -0.00050 -0.00063 0.00066 -0.00020 -0.00226 111 6 Cu 1S 0.00142 0.00091 0.00089 -0.00001 -0.00157 112 2S 0.00109 0.00471 -0.01289 -0.00003 0.02462 113 3S -0.00741 -0.02003 -0.00090 -0.00043 0.06214 114 4PX 0.00020 -0.00075 0.00228 -0.00001 -0.00444 115 4PY 0.00003 -0.00004 0.00038 0.00000 -0.00087 116 4PZ 0.00028 -0.00105 0.00315 0.00002 -0.00611 117 5PX 0.00019 0.00036 -0.00294 -0.00157 0.01527 118 5PY 0.00050 0.00648 0.00107 0.00026 -0.00892 119 5PZ 0.00010 -0.00085 -0.00427 0.00092 0.02377 120 6PX -0.00093 -0.00027 0.00491 -0.01255 0.00436 121 6PY -0.00175 -0.01578 -0.01353 0.00242 0.00395 122 6PZ -0.00112 0.00397 0.00999 0.00840 0.00515 123 7D 0 0.00011 0.00156 -0.00384 0.00049 0.00905 124 7D+1 0.00012 0.00249 -0.00665 -0.00020 0.01477 125 7D-1 0.00000 -0.00008 -0.00122 0.00032 0.00417 126 7D+2 0.00010 0.00090 -0.00235 -0.00044 0.00648 127 7D-2 -0.00002 -0.00006 -0.00091 -0.00031 0.00259 128 8D 0 -0.00059 -0.00017 -0.00134 0.00075 0.00364 129 8D+1 -0.00037 0.00058 -0.00215 -0.00035 0.00526 130 8D-1 0.00009 0.00092 -0.00119 -0.00004 0.00184 131 8D+2 -0.00068 -0.00036 -0.00122 -0.00039 0.00309 132 8D-2 0.00022 0.00085 -0.00070 0.00027 0.00094 133 7 Cu 1S 0.00103 -0.00014 0.00133 0.00039 -0.00100 134 2S 0.00135 0.00688 -0.01395 -0.00488 0.01825 135 3S 0.01881 0.07585 0.00294 -0.01059 -0.02409 136 4PX 0.00003 -0.00244 0.00402 0.00126 -0.00481 137 4PY 0.00005 0.00034 -0.00023 -0.00074 -0.00144 138 4PZ 0.00001 -0.00022 0.00008 0.00086 0.00064 139 5PX 0.00505 0.01848 -0.00344 -0.00914 -0.00001 140 5PY 0.00235 0.00213 0.00119 -0.00162 -0.00198 141 5PZ -0.00261 -0.00269 -0.00216 -0.00017 0.00541 142 6PX 0.00450 0.03113 0.00797 -0.00147 -0.01417 143 6PY 0.00682 -0.02298 -0.02469 0.00019 0.00984 144 6PZ 0.00010 0.00764 0.00352 0.01257 -0.01091 145 7D 0 -0.00001 -0.00163 0.00425 -0.00008 -0.00442 146 7D+1 0.00014 0.00108 -0.00117 -0.00362 -0.00193 147 7D-1 -0.00006 -0.00072 0.00229 0.00118 -0.00326 148 7D+2 -0.00006 0.00267 -0.00518 -0.00103 0.00797 149 7D-2 -0.00021 -0.00105 0.00223 0.00335 0.00436 150 8D 0 -0.00010 -0.00053 0.00122 0.00066 -0.00142 151 8D+1 -0.00099 -0.00010 -0.00087 -0.00193 -0.00099 152 8D-1 0.00030 -0.00051 0.00127 0.00102 -0.00133 153 8D+2 0.00069 0.00068 -0.00138 -0.00146 0.00240 154 8D-2 0.00151 0.00037 0.00116 0.00164 0.00210 155 8 C 1S -0.11641 -0.16116 0.03651 -0.00002 -0.08073 156 2S 0.24093 0.38164 -0.06001 0.00009 0.15509 157 3S 0.06137 0.29223 -0.13402 -0.00032 0.22629 158 4PX 0.03050 -0.01993 0.24504 0.31880 0.05485 159 4PY -0.22287 -0.04471 -0.09147 -0.06015 0.44742 160 4PZ 0.09856 -0.01556 0.35594 -0.23505 -0.04022 161 5PX -0.00442 -0.01399 0.03459 0.05301 0.01639 162 5PY 0.04594 0.06776 0.01491 -0.00979 0.02379 163 5PZ -0.01762 -0.03648 0.04271 -0.03886 0.01606 164 9 O 1S -0.21141 0.12606 0.02126 -0.00001 -0.02036 165 2S 0.46530 -0.28473 -0.03998 0.00000 0.03005 166 3S 0.31256 -0.37893 -0.10195 0.00018 0.12591 167 4PX -0.02992 -0.07135 0.27558 0.49669 0.24847 168 4PY 0.20693 0.38823 0.41498 -0.09402 -0.15903 169 4PZ -0.09368 -0.19642 0.26734 -0.36600 0.37824 170 5PX 0.00170 -0.01834 0.10894 0.19066 0.09194 171 5PY -0.01524 0.09524 0.12016 -0.03600 0.00220 172 5PZ 0.00617 -0.04937 0.11698 -0.14057 0.12435 36 37 38 39 40 O O O O O EIGENVALUES -- -0.35223 -0.33911 -0.33818 -0.32603 -0.32451 1 1 Cu 1S -0.01003 0.00352 -0.00023 -0.00005 0.00216 2 2S 0.11603 -0.11533 0.00652 0.00027 -0.00364 3 3S 0.01586 -0.07926 0.00413 -0.00254 0.10022 4 4PX 0.01410 -0.01486 -0.00240 -0.00678 -0.00133 5 4PY 0.01367 -0.01661 0.00140 0.00104 0.00159 6 4PZ 0.01714 -0.01733 0.00323 0.00475 -0.00166 7 5PX -0.00915 0.03676 -0.01062 0.01120 -0.00633 8 5PY -0.00201 0.04355 -0.00092 -0.00104 -0.02547 9 5PZ -0.01268 0.04402 0.00367 -0.00745 -0.00437 10 6PX -0.00204 -0.01701 0.00837 -0.02469 -0.00461 11 6PY -0.00658 -0.04721 0.00084 0.00391 -0.00648 12 6PZ -0.00100 -0.01464 -0.00435 0.01714 -0.00400 13 7D 0 0.01702 -0.00003 0.03078 0.04391 -0.01760 14 7D+1 0.07309 -0.10365 -0.00489 -0.00887 0.01368 15 7D-1 0.07499 -0.13407 0.02642 0.07792 -0.01543 16 7D+2 0.00220 0.02499 -0.02557 -0.05574 -0.04966 17 7D-2 0.06128 -0.11631 -0.01239 -0.09688 -0.00056 18 8D 0 0.00605 -0.00143 0.01086 0.01486 -0.00640 19 8D+1 0.02535 -0.03941 -0.00170 -0.00260 0.00555 20 8D-1 0.02402 -0.05071 0.00853 0.02945 -0.00575 21 8D+2 0.00040 0.00735 -0.00850 -0.02016 -0.01840 22 8D-2 0.01995 -0.04321 -0.00298 -0.03711 -0.00022 23 2 Cu 1S -0.01367 0.00180 0.00013 0.00211 0.00042 24 2S 0.21812 -0.06056 0.08566 0.02319 -0.02575 25 3S -0.04640 -0.07189 0.18397 0.11442 -0.03779 26 4PX 0.02571 -0.00363 0.00251 -0.00369 0.00600 27 4PY 0.02552 0.00630 0.01836 0.00119 -0.00624 28 4PZ -0.02471 0.02134 -0.00617 -0.00725 0.00305 29 5PX -0.03015 0.02314 -0.04587 0.00415 -0.00546 30 5PY -0.02191 0.02215 -0.04618 -0.02339 0.01080 31 5PZ 0.02337 -0.02118 0.05297 0.02950 -0.00828 32 6PX 0.03361 0.02170 -0.04451 -0.00360 0.01455 33 6PY 0.03112 0.03796 0.03656 -0.02619 -0.00405 34 6PZ -0.03357 0.06164 0.00389 -0.00281 -0.01273 35 7D 0 -0.01161 -0.21862 -0.04140 0.08436 0.00621 36 7D+1 -0.12048 0.09207 0.01831 0.04133 -0.05824 37 7D-1 -0.03543 0.00678 -0.06633 -0.07688 0.04665 38 7D+2 -0.00899 -0.07255 -0.13658 0.00005 0.10603 39 7D-2 0.12653 0.05312 0.05152 -0.05023 0.08401 40 8D 0 -0.00332 -0.07549 -0.01477 0.02929 0.00314 41 8D+1 -0.04378 0.03282 0.00376 0.01542 -0.02203 42 8D-1 -0.01162 0.00224 -0.02336 -0.02632 0.01565 43 8D+2 -0.00520 -0.02546 -0.04590 0.00041 0.03625 44 8D-2 0.04604 0.01720 0.02019 -0.01906 0.02970 45 3 Cu 1S -0.01367 0.00177 -0.00045 -0.00223 0.00025 46 2S 0.21800 -0.06831 -0.07696 -0.02187 -0.02805 47 3S -0.04457 -0.08968 -0.17656 -0.11460 -0.04756 48 4PX -0.02601 0.02222 0.00041 0.00550 0.00005 49 4PY 0.03348 0.00043 -0.01898 -0.00100 -0.00550 50 4PZ 0.01147 0.00339 0.00207 0.00544 0.00788 51 5PX 0.02717 -0.02754 -0.05209 -0.02183 -0.00594 52 5PY -0.03100 0.03514 0.05805 0.02619 0.01272 53 5PZ -0.01635 0.01250 0.01595 -0.01646 -0.01027 54 6PX -0.03502 0.05388 -0.03016 0.00804 -0.01644 55 6PY 0.04152 0.02861 -0.02820 0.02577 0.00296 56 6PZ 0.01441 0.04100 0.04135 -0.00011 0.01012 57 7D 0 -0.09631 0.06307 0.07402 -0.01502 0.01867 58 7D+1 -0.06212 -0.02624 -0.03966 -0.06469 -0.05713 59 7D-1 0.10184 0.03925 0.01630 0.07067 0.13081 60 7D+2 -0.02543 -0.21312 0.15665 -0.04526 0.06249 61 7D-2 -0.08844 0.08166 0.01437 0.06483 -0.01983 62 8D 0 -0.03677 0.02243 0.02643 -0.00624 0.00462 63 8D+1 -0.02163 -0.00826 -0.01184 -0.02275 -0.02032 64 8D-1 0.03682 0.01209 0.00325 0.02573 0.04561 65 8D+2 -0.00914 -0.07377 0.05391 -0.01615 0.02226 66 8D-2 -0.03073 0.02895 0.00683 0.02177 -0.00800 67 4 Cu 1S -0.00633 -0.00024 0.00002 0.00000 0.00061 68 2S 0.17817 -0.01562 0.00155 0.00373 -0.06924 69 3S 0.07625 0.00056 0.00024 0.00080 -0.00898 70 4PX 0.02676 0.00308 -0.01458 0.00337 0.00023 71 4PY -0.04685 0.02187 0.00073 -0.00045 -0.00022 72 4PZ 0.04831 0.00117 0.01051 -0.00224 0.00039 73 5PX -0.06437 0.01363 -0.01091 0.01238 -0.00164 74 5PY 0.12457 -0.01959 0.00356 -0.00067 -0.02953 75 5PZ -0.11922 0.02492 0.00458 -0.00953 0.00290 76 6PX 0.01436 -0.00589 -0.00757 0.05800 -0.02515 77 6PY 0.01368 -0.00318 0.00077 -0.00737 -0.03797 78 6PZ 0.01670 -0.00798 0.00560 -0.03888 -0.03069 79 7D 0 0.04599 0.39622 0.47866 -0.24960 0.10102 80 7D+1 0.03075 0.15508 -0.24959 0.01988 0.68375 81 7D-1 0.02213 0.02075 -0.14067 -0.42579 0.06095 82 7D+2 0.06741 0.49621 -0.22439 0.32484 -0.24757 83 7D-2 -0.00437 -0.10519 0.33247 0.52620 0.22836 84 8D 0 0.01604 0.12921 0.15478 -0.07762 0.03275 85 8D+1 0.01360 0.05049 -0.08092 0.00535 0.21819 86 8D-1 0.00100 0.00836 -0.04689 -0.13592 0.01742 87 8D+2 0.01928 0.16249 -0.07212 0.10262 -0.07893 88 8D-2 -0.00466 -0.03330 0.10919 0.16872 0.07135 89 5 Cu 1S -0.01025 -0.00081 -0.00279 -0.00150 -0.00170 90 2S 0.12606 0.03887 0.07867 -0.04533 -0.04861 91 3S 0.03729 0.02656 0.05158 -0.13587 -0.11919 92 4PX 0.01638 0.00705 0.00924 -0.00638 0.00439 93 4PY -0.02031 -0.00591 -0.01527 0.00057 0.00632 94 4PZ -0.01336 -0.00538 -0.01009 0.00852 0.01002 95 5PX -0.01457 -0.00717 -0.03707 0.02415 0.00481 96 5PY 0.01917 0.02913 0.03527 -0.01519 -0.02208 97 5PZ 0.01063 0.01895 0.02760 -0.03914 -0.03454 98 6PX -0.00160 0.00316 0.02410 -0.01518 0.02570 99 6PY -0.01226 -0.01834 -0.01557 -0.01747 0.00357 100 6PZ 0.00637 -0.02637 -0.02561 -0.00043 0.00345 101 7D 0 -0.02338 -0.00053 -0.00765 -0.07248 -0.10237 102 7D+1 -0.06837 -0.04733 -0.06780 0.07903 -0.05632 103 7D-1 0.08497 0.05364 0.11325 0.01691 -0.08031 104 7D+2 -0.01730 0.01392 -0.04175 -0.02571 0.07267 105 7D-2 -0.09173 -0.05499 -0.07868 0.03958 -0.01769 106 8D 0 -0.00734 -0.00131 -0.00460 -0.02491 -0.03625 107 8D+1 -0.02329 -0.01658 -0.02641 0.02894 -0.02257 108 8D-1 0.02821 0.02237 0.04231 0.00704 -0.02894 109 8D+2 -0.00617 0.00404 -0.01496 -0.00871 0.02551 110 8D-2 -0.03242 -0.02153 -0.03057 0.01501 -0.00575 111 6 Cu 1S -0.01372 0.00137 -0.00014 -0.00015 0.00385 112 2S 0.21768 0.05908 -0.00249 -0.00065 0.03991 113 3S -0.01508 0.19179 -0.01079 -0.00567 0.20308 114 4PX -0.02650 -0.00764 -0.01488 0.00565 -0.00431 115 4PY -0.01034 0.00342 0.00213 -0.00076 0.00098 116 4PZ -0.03548 -0.00987 0.01113 -0.00381 -0.00650 117 5PX 0.03083 0.04784 -0.01226 -0.00126 0.04071 118 5PY 0.01287 0.01781 0.00057 0.00026 -0.00655 119 5PZ 0.04099 0.06511 0.00316 -0.00163 0.05914 120 6PX -0.02837 -0.00056 -0.04515 0.00854 0.00986 121 6PY -0.00558 0.05725 0.00430 -0.00059 -0.00804 122 6PZ -0.03937 -0.00775 0.03180 -0.00651 0.01604 123 7D 0 0.06929 0.04157 -0.18579 0.08908 0.02467 124 7D+1 0.09909 0.04051 0.07198 -0.04067 0.06686 125 7D-1 0.09078 -0.02966 -0.03286 0.00077 -0.02110 126 7D+2 0.07554 0.05705 0.10858 -0.04666 -0.01393 127 7D-2 0.05249 -0.03217 0.00187 0.02007 -0.00258 128 8D 0 0.02535 0.01581 -0.06352 0.03101 0.00973 129 8D+1 0.03430 0.01715 0.02437 -0.01421 0.02504 130 8D-1 0.03274 -0.00756 -0.01141 0.00051 -0.00785 131 8D+2 0.02875 0.02076 0.03700 -0.01640 -0.00433 132 8D-2 0.01829 -0.00917 0.00059 0.00671 -0.00125 133 7 Cu 1S -0.01025 -0.00056 0.00281 0.00158 -0.00156 134 2S 0.12624 0.03047 -0.08073 0.05019 -0.04651 135 3S 0.03788 0.02040 -0.05244 0.14441 -0.11049 136 4PX -0.02168 -0.00673 0.01584 -0.01098 0.00867 137 4PY -0.01460 -0.00239 0.01168 0.00157 0.00586 138 4PZ 0.01349 0.00472 -0.00772 0.00272 0.00676 139 5PX 0.01872 0.02073 -0.04625 0.05005 -0.03521 140 5PY 0.01420 0.02176 -0.02494 0.00558 -0.01569 141 5PZ -0.01262 -0.00104 0.02999 -0.01094 -0.00482 142 6PX 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-0.00002 -0.00034 0.00277 68 2S 0.16308 -0.07402 -0.00120 0.02181 0.00889 69 3S -0.00116 -0.26606 -0.00246 0.03078 0.33827 70 4PX -0.00272 -0.00339 0.00169 -0.00224 0.00758 71 4PY 0.01142 0.00408 -0.00039 -0.00042 -0.01707 72 4PZ -0.00654 -0.00563 -0.00120 -0.00320 0.01471 73 5PX -0.00865 0.03047 0.03404 -0.01574 -0.08244 74 5PY -0.00617 -0.06776 -0.00538 -0.02817 0.16582 75 5PZ -0.01039 0.05949 -0.02384 -0.01507 -0.15432 76 6PX 0.00362 0.00188 -0.02107 0.00445 -0.01490 77 6PY -0.02218 0.01311 0.00294 0.00656 -0.00348 78 6PZ 0.01062 -0.00203 0.01441 0.00370 -0.01955 79 7D 0 -0.05887 0.05401 0.26961 0.17964 0.04871 80 7D+1 0.00661 0.06739 -0.11176 0.05857 0.11018 81 7D-1 0.51910 -0.10100 0.00509 0.05682 -0.15938 82 7D+2 0.05368 0.02436 -0.13966 0.28128 -0.03951 83 7D-2 0.34861 -0.07199 0.05956 -0.03897 -0.09110 84 8D 0 -0.01983 0.01735 0.08567 0.05778 0.01639 85 8D+1 -0.00148 0.02151 -0.03567 0.02018 0.03685 86 8D-1 0.17022 -0.03267 0.00040 0.01891 -0.05167 87 8D+2 0.01938 0.00781 -0.04382 0.08969 -0.01260 88 8D-2 0.11344 -0.02332 0.02059 -0.01172 -0.02957 89 5 Cu 1S 0.00108 0.00359 0.00170 0.00027 0.00045 90 2S 0.08185 0.04177 -0.03842 -0.02432 -0.03028 91 3S 0.10634 0.13824 -0.00421 -0.01529 -0.03366 92 4PX 0.00758 0.00443 -0.00421 -0.00812 -0.00103 93 4PY -0.00250 -0.01098 0.01058 0.00375 0.00204 94 4PZ -0.01158 0.00744 -0.00095 -0.00288 -0.00174 95 5PX -0.02551 -0.02624 0.00459 0.02247 0.00115 96 5PY 0.02140 0.04877 -0.01956 -0.00259 -0.00156 97 5PZ 0.03128 -0.00485 -0.01256 -0.00178 -0.01200 98 6PX -0.00272 -0.00918 -0.00863 -0.01518 0.00795 99 6PY 0.01444 0.00382 0.01755 0.00444 -0.00378 100 6PZ -0.00379 0.03384 0.02836 0.00988 -0.02037 101 7D 0 0.06439 -0.15262 0.14800 0.09461 0.00613 102 7D+1 -0.06829 0.06620 -0.00135 -0.05730 -0.07172 103 7D-1 -0.00386 -0.06676 0.02720 0.01342 0.08679 104 7D+2 0.04142 -0.07638 0.09765 -0.01400 0.00439 105 7D-2 0.00814 -0.08384 0.15921 0.15457 -0.03793 106 8D 0 0.02093 -0.05150 0.04893 0.03025 0.00248 107 8D+1 -0.02435 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0.18735 127 7D-2 -0.14760 -0.09686 -0.17975 -0.01384 -0.17966 128 8D 0 0.00455 0.00008 0.09557 0.00336 0.06578 129 8D+1 -0.02483 -0.08918 -0.03292 0.07124 0.04183 130 8D-1 -0.06572 -0.00912 0.06090 -0.04256 -0.06319 131 8D+2 0.00388 0.06054 -0.07552 -0.05301 0.06239 132 8D-2 -0.05135 -0.03332 -0.06132 -0.00500 -0.05973 133 7 Cu 1S 0.00103 0.00366 -0.00156 0.00028 0.00048 134 2S 0.08159 0.03997 0.03924 -0.02500 -0.03047 135 3S 0.10458 0.13708 0.00783 -0.01526 -0.03297 136 4PX -0.01357 0.00343 -0.00239 0.00063 -0.00085 137 4PY 0.00065 -0.01034 -0.00984 0.00268 0.00203 138 4PZ 0.00335 0.00805 0.00593 -0.00910 -0.00186 139 5PX 0.04079 0.01274 0.01695 -0.00949 -0.01147 140 5PY 0.01150 0.04160 0.01769 0.00171 0.00046 141 5PZ -0.01595 -0.03258 -0.00356 0.02048 -0.00290 142 6PX 0.00016 0.03611 -0.03147 0.01552 -0.02213 143 6PY 0.01363 -0.00260 -0.01090 0.00004 0.00111 144 6PZ -0.00580 0.00307 0.00051 -0.01078 0.00053 145 7D 0 -0.02951 0.05532 0.01702 -0.10755 -0.03718 146 7D+1 -0.02411 -0.02765 -0.09121 0.04892 -0.06533 147 7D-1 0.01817 -0.10777 -0.16916 0.13250 0.00468 148 7D+2 0.08044 -0.15918 -0.12738 0.04611 0.06291 149 7D-2 -0.04509 0.02980 0.07739 -0.06231 0.06661 150 8D 0 -0.00997 0.01890 0.00423 -0.03634 -0.01287 151 8D+1 -0.00964 -0.00902 -0.03227 0.01559 -0.02262 152 8D-1 0.00664 -0.03920 -0.06117 0.04816 -0.00058 153 8D+2 0.02693 -0.05427 -0.04138 0.01392 0.02189 154 8D-2 -0.01595 0.00983 0.02688 -0.02235 0.02254 155 8 C 1S -0.01945 -0.00053 0.00013 -0.00405 0.01432 156 2S 0.03624 0.00391 -0.00031 0.01022 -0.03666 157 3S 0.09898 -0.01531 -0.00029 0.00542 0.00058 158 4PX -0.00528 0.00178 -0.01284 0.00968 0.00628 159 4PY 0.06240 0.00299 0.00192 0.02129 -0.04377 160 4PZ -0.02326 0.00147 0.00947 0.00896 0.01958 161 5PX -0.00187 0.00945 -0.02128 0.01300 -0.00771 162 5PY 0.01708 -0.01299 0.00344 0.02414 0.03040 163 5PZ -0.00696 0.01589 0.01540 0.01289 -0.01853 164 9 O 1S 0.00363 -0.00012 -0.00002 0.00026 -0.00285 165 2S -0.01208 0.00180 0.00011 -0.00241 0.00730 166 3S -0.00976 -0.00448 -0.00021 0.00864 0.01548 167 4PX 0.00873 -0.00870 0.03023 -0.02755 -0.00716 168 4PY -0.05102 -0.00083 -0.00519 -0.02487 0.03098 169 4PZ 0.02547 -0.01123 -0.02198 -0.03397 -0.01720 170 5PX 0.00332 -0.00596 0.02215 -0.01776 -0.00202 171 5PY -0.01834 -0.00141 -0.00390 -0.01395 0.00504 172 5PZ 0.00938 -0.00740 -0.01598 -0.02240 -0.00373 46 47 48 49 50 O O O O O EIGENVALUES -- -0.29595 -0.29588 -0.29201 -0.28748 -0.28532 1 1 Cu 1S 0.00129 0.00097 -0.00005 0.00006 -0.00192 2 2S 0.03010 0.02157 -0.00059 -0.00257 0.09429 3 3S 0.07295 0.05298 -0.00206 -0.00244 0.09046 4 4PX -0.00266 0.00939 -0.00334 0.00302 0.00731 5 4PY 0.00345 0.00071 0.00046 -0.00063 0.00463 6 4PZ 0.00719 -0.00277 0.00226 -0.00252 0.00915 7 5PX -0.00017 -0.01951 0.00474 0.00566 -0.02071 8 5PY -0.01648 -0.00891 -0.00039 -0.00041 -0.01638 9 5PZ -0.01659 0.00148 -0.00289 -0.00288 -0.02625 10 6PX -0.00609 -0.00650 -0.00743 -0.00432 0.00926 11 6PY 0.02458 0.01826 0.00059 0.00121 -0.02125 12 6PZ -0.01595 -0.01052 0.00599 0.00246 0.01815 13 7D 0 0.22861 -0.20250 0.13023 -0.23982 0.05596 14 7D+1 -0.07856 0.08613 -0.04543 0.09749 -0.05627 15 7D-1 0.17349 0.00361 0.06883 -0.06160 0.07896 16 7D+2 0.01209 0.25383 -0.10233 0.14533 0.18041 17 7D-2 0.00572 0.07602 -0.06612 0.01931 -0.00290 18 8D 0 0.07563 -0.06929 0.04341 -0.07936 0.01841 19 8D+1 -0.02819 0.02782 -0.01489 0.03237 -0.02001 20 8D-1 0.06101 0.00311 0.02408 -0.02013 0.02642 21 8D+2 0.00369 0.08526 -0.03462 0.04795 0.06056 22 8D-2 0.00373 0.02681 -0.02374 0.00602 -0.00120 23 2 Cu 1S 0.00022 -0.00269 -0.00073 0.00073 -0.00067 24 2S 0.00833 -0.04380 -0.02004 -0.03699 0.03996 25 3S 0.01444 -0.13047 -0.04515 0.03310 0.02560 26 4PX -0.00043 -0.00014 0.00056 0.00577 -0.00187 27 4PY -0.00520 -0.00028 -0.00899 -0.00605 -0.00078 28 4PZ -0.00590 0.00301 -0.00589 0.00450 -0.00945 29 5PX 0.00049 0.01746 0.00448 -0.01677 0.00630 30 5PY 0.00470 0.00236 0.03697 0.00314 -0.01921 31 5PZ 0.01092 -0.01657 0.02394 -0.02251 0.01137 32 6PX 0.00076 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-0.00163 -0.00140 -0.00451 -0.00177 73 5PX 0.00558 -0.00009 -0.00319 -0.00080 -0.00171 74 5PY 0.00032 0.00036 0.00040 -0.00051 0.00507 75 5PZ 0.00400 0.00604 0.00233 0.00119 -0.00449 76 6PX -0.01533 0.06112 0.02002 0.01937 -0.02073 77 6PY 0.03875 0.01820 -0.00401 -0.00237 -0.02441 78 6PZ 0.04185 -0.01973 -0.01496 -0.01262 -0.02642 79 7D 0 0.20138 -0.07640 -0.00352 0.01014 0.05734 80 7D+1 -0.07177 0.03504 0.00002 -0.01844 0.14562 81 7D-1 0.01207 -0.04818 -0.00901 -0.05760 -0.01175 82 7D+2 0.10654 0.21615 0.00309 0.01917 -0.00459 83 7D-2 -0.07785 -0.03470 0.01343 0.08427 0.01318 84 8D 0 0.06156 -0.02319 -0.00076 0.00439 0.01836 85 8D+1 -0.02225 0.01052 -0.00010 -0.00614 0.04375 86 8D-1 0.00383 -0.01386 -0.00275 -0.01716 -0.00455 87 8D+2 0.03320 0.06611 0.00079 0.00494 0.00004 88 8D-2 -0.02319 -0.01110 0.00418 0.02553 0.00277 89 5 Cu 1S -0.00142 0.00072 0.00079 0.00063 -0.00011 90 2S -0.02559 0.01035 -0.00197 -0.07644 -0.04675 91 3S -0.07856 0.03566 0.01766 -0.10912 -0.06665 92 4PX 0.00087 0.00642 0.00756 -0.00519 -0.00699 93 4PY 0.00625 0.00198 0.00545 0.00892 0.00257 94 4PZ 0.00206 0.00077 0.00136 0.00211 0.00066 95 5PX 0.00450 -0.01595 -0.01316 0.02598 0.01224 96 5PY -0.01797 -0.00078 -0.00686 -0.03037 -0.02361 97 5PZ -0.01388 0.00364 -0.00018 -0.00770 -0.00508 98 6PX 0.01077 -0.00231 0.00483 -0.00360 0.00478 99 6PY -0.01902 0.01182 0.01581 -0.00118 0.00622 100 6PZ 0.03283 -0.01409 -0.00852 -0.01601 -0.00682 101 7D 0 0.16593 -0.07771 -0.03973 0.13979 0.05931 102 7D+1 0.01798 0.01189 -0.04932 -0.03810 -0.04153 103 7D-1 -0.12210 0.00843 -0.06973 -0.02472 0.07999 104 7D+2 0.14160 0.20175 0.35040 0.08049 -0.24489 105 7D-2 -0.03372 -0.08382 -0.11637 -0.05665 0.10803 106 8D 0 0.05563 -0.02596 -0.01376 0.04722 0.01983 107 8D+1 0.00794 0.00420 -0.01783 -0.01308 -0.01480 108 8D-1 -0.04411 0.00460 -0.02356 -0.00774 0.02712 109 8D+2 0.04689 0.06870 0.11797 0.02621 -0.08082 110 8D-2 -0.01264 -0.02813 -0.03870 -0.01962 0.03636 111 6 Cu 1S 0.00226 0.00163 -0.00006 -0.00001 -0.00041 112 2S 0.03645 0.02707 -0.00105 0.00159 -0.04959 113 3S 0.10767 0.07860 -0.00354 -0.00099 -0.01092 114 4PX 0.00056 -0.00270 -0.00934 0.00619 0.00306 115 4PY -0.00017 0.00042 0.00144 -0.00065 -0.00999 116 4PZ -0.00201 0.00066 0.00664 -0.00459 0.00593 117 5PX 0.01397 0.00287 0.03831 0.00182 -0.01197 118 5PY 0.00890 0.00736 -0.00624 -0.00089 0.02286 119 5PZ 0.00902 0.01204 -0.02757 -0.00067 -0.02159 120 6PX 0.03871 -0.02323 -0.05310 0.00785 0.00374 121 6PY -0.00193 0.00629 0.00800 -0.00017 -0.03334 122 6PZ 0.00551 0.04040 0.03641 -0.00615 0.01202 123 7D 0 0.07157 -0.20419 -0.25067 0.00163 -0.02701 124 7D+1 -0.17858 0.00685 0.13653 -0.04655 0.31138 125 7D-1 -0.12181 0.09873 0.16262 -0.23883 0.14700 126 7D+2 -0.03415 0.02809 0.06275 0.10877 -0.20215 127 7D-2 0.11811 -0.24457 -0.28969 0.31822 0.21685 128 8D 0 0.02359 -0.06850 -0.08240 -0.00074 -0.00956 129 8D+1 -0.06121 0.00131 0.04493 -0.01463 0.10061 130 8D-1 -0.04134 0.03309 0.05349 -0.07799 0.04656 131 8D+2 -0.01100 0.00948 0.02061 0.03626 -0.06684 132 8D-2 0.03937 -0.08259 -0.09524 0.10365 0.06989 133 7 Cu 1S 0.00020 -0.00160 -0.00074 -0.00060 -0.00016 134 2S 0.00176 -0.02672 0.00262 0.07980 -0.04183 135 3S 0.00859 -0.08569 -0.01539 0.11448 -0.05935 136 4PX 0.00001 0.00293 0.00000 -0.00556 0.00301 137 4PY 0.00455 0.00453 -0.00689 -0.00747 0.00050 138 4PZ 0.00553 -0.00132 -0.00687 0.00581 -0.00629 139 5PX 0.00214 -0.01942 -0.00225 0.02231 -0.01167 140 5PY -0.00851 -0.01234 0.01003 0.02477 -0.01811 141 5PZ -0.01160 0.00618 0.01155 -0.02686 0.01152 142 6PX -0.00215 0.02545 0.00590 0.01455 -0.00559 143 6PY 0.00567 -0.02456 -0.01708 -0.00065 0.00769 144 6PZ -0.00043 0.02620 -0.00002 0.00852 0.00206 145 7D 0 0.20141 0.00921 -0.28004 0.00726 -0.25137 146 7D+1 -0.07441 0.10120 0.17442 -0.02116 0.08544 147 7D-1 -0.01081 -0.03889 0.00788 0.03641 0.04298 148 7D+2 0.10126 0.12466 -0.16699 -0.15509 -0.07720 149 7D-2 -0.04827 -0.15483 0.12617 0.06219 0.08438 150 8D 0 0.06861 0.00402 -0.09367 0.00317 -0.08383 151 8D+1 -0.02461 0.03544 0.05970 -0.00702 0.02765 152 8D-1 -0.00355 -0.01578 0.00223 0.01275 0.01513 153 8D+2 0.03454 0.04010 -0.05611 -0.05237 -0.02503 154 8D-2 -0.01546 -0.05404 0.04288 0.02017 0.02796 155 8 C 1S -0.00132 -0.00100 0.00001 -0.00006 0.00323 156 2S 0.00178 0.00131 -0.00001 0.00016 -0.00609 157 3S 0.01003 0.00784 -0.00016 -0.00002 -0.01498 158 4PX 0.00186 0.01092 -0.00100 -0.00772 0.00604 159 4PY 0.00964 0.00539 0.00006 0.00134 -0.00489 160 4PZ 0.01076 0.00085 0.00053 0.00494 0.01036 161 5PX 0.00294 -0.00298 -0.00268 -0.00143 0.00476 162 5PY 0.00074 0.00099 0.00040 0.00008 0.00073 163 5PZ -0.00074 0.00290 0.00194 0.00090 0.00681 164 9 O 1S 0.00009 0.00008 0.00000 0.00003 -0.00086 165 2S 0.00042 0.00032 -0.00001 -0.00011 0.00285 166 3S -0.00215 -0.00187 -0.00001 -0.00012 0.00284 167 4PX -0.00693 -0.01961 0.00289 0.01597 -0.01163 168 4PY -0.01174 -0.00588 -0.00034 -0.00264 0.00185 169 4PZ -0.02333 -0.00614 -0.00162 -0.01008 -0.01793 170 5PX -0.00373 -0.00914 0.00208 0.00850 -0.00675 171 5PY -0.00755 -0.00436 -0.00025 -0.00128 -0.00123 172 5PZ -0.01085 -0.00303 -0.00128 -0.00540 -0.00979 51 52 53 54 55 O O O O O EIGENVALUES -- -0.28470 -0.27919 -0.27850 -0.27206 -0.27045 1 1 Cu 1S 0.00262 0.00001 -0.00229 0.00000 0.00025 2 2S -0.01848 -0.00023 0.02089 0.00016 -0.00638 3 3S 0.07786 0.00072 -0.10614 0.00002 0.01307 4 4PX -0.00109 0.00281 0.00000 0.00259 -0.00004 5 4PY -0.00203 -0.00051 0.00674 -0.00038 -0.00016 6 4PZ -0.00119 -0.00195 -0.00157 -0.00182 -0.00014 7 5PX -0.01328 0.01293 0.01085 -0.01311 -0.00021 8 5PY -0.00085 -0.00221 0.02203 0.00239 -0.01769 9 5PZ -0.01910 -0.00902 0.01002 0.00898 0.00419 10 6PX -0.01053 0.00665 0.01116 0.00856 -0.00348 11 6PY 0.00024 -0.00156 0.01631 -0.00147 0.00323 12 6PZ -0.01529 -0.00437 0.01253 -0.00577 -0.00591 13 7D 0 0.01819 -0.00446 -0.14964 0.01881 -0.01857 14 7D+1 0.08323 -0.02898 -0.00314 0.00769 -0.29070 15 7D-1 -0.14247 -0.19679 0.11161 0.05370 0.16321 16 7D+2 -0.06841 0.09227 -0.20498 -0.04230 0.21390 17 7D-2 -0.06744 0.27231 0.15068 -0.07701 0.02187 18 8D 0 0.00714 -0.00132 -0.04942 0.00591 -0.00699 19 8D+1 0.02968 -0.00976 -0.00092 0.00264 -0.09784 20 8D-1 -0.04941 -0.06546 0.03806 0.01715 0.05384 21 8D+2 -0.02293 0.03059 -0.06740 -0.01356 0.07047 22 8D-2 -0.02361 0.09065 0.05055 -0.02469 0.00709 23 2 Cu 1S 0.00300 -0.00046 0.00072 0.00065 -0.00001 24 2S -0.07349 -0.04045 0.01192 -0.00714 0.00188 25 3S -0.06930 -0.14545 0.06789 -0.01094 0.02913 26 4PX -0.00518 -0.00179 0.00092 0.00336 -0.00229 27 4PY -0.00592 -0.00513 0.00632 -0.00539 0.00307 28 4PZ 0.00342 0.00775 0.00117 0.00236 -0.00201 29 5PX 0.00672 0.02980 -0.01807 -0.02059 0.01152 30 5PY 0.01572 0.01894 -0.03452 0.02976 -0.01849 31 5PZ -0.02013 -0.04297 -0.01319 -0.01589 0.01406 32 6PX 0.00463 0.01427 -0.00853 -0.01415 0.00858 33 6PY 0.00206 0.01747 0.00381 0.00864 -0.01401 34 6PZ -0.00066 -0.01138 0.01909 -0.01454 0.00775 35 7D 0 0.04288 0.04487 0.09140 0.20008 -0.03667 36 7D+1 -0.19992 -0.27168 -0.00912 -0.24562 0.05407 37 7D-1 0.14434 0.26801 -0.12910 -0.16926 0.05785 38 7D+2 -0.07599 0.02917 0.04005 -0.30048 0.19901 39 7D-2 0.29482 0.14606 -0.13951 0.23603 -0.18681 40 8D 0 0.01418 0.01312 0.02920 0.06447 -0.01176 41 8D+1 -0.06693 -0.08640 -0.00368 -0.07848 0.01846 42 8D-1 0.04807 0.08986 -0.04277 -0.05594 0.01910 43 8D+2 -0.02620 0.01000 0.01162 -0.09683 0.06390 44 8D-2 0.09800 0.04598 -0.04402 0.07645 -0.05851 45 3 Cu 1S 0.00303 0.00038 0.00076 -0.00063 -0.00001 46 2S -0.07220 0.04133 0.01293 0.00764 0.00263 47 3S -0.06559 0.14535 0.07330 0.00933 0.03207 48 4PX 0.00350 -0.00672 0.00169 0.00015 -0.00040 49 4PY -0.00705 0.00647 0.00619 0.00475 0.00317 50 4PZ -0.00278 -0.00181 0.00026 -0.00445 -0.00354 51 5PX -0.01678 0.04587 -0.01122 0.00136 0.00508 52 5PY 0.01850 -0.03017 -0.03562 -0.02599 -0.02015 53 5PZ -0.00322 -0.00878 -0.01652 0.02740 0.01963 54 6PX -0.00160 0.01163 0.02110 0.00737 0.00123 55 6PY 0.00253 -0.02103 -0.00204 -0.00674 -0.01459 56 6PZ 0.00340 -0.00668 -0.00219 0.01865 0.01350 57 7D 0 -0.25682 0.20427 0.04270 0.44511 0.24848 58 7D+1 -0.04046 0.16865 0.01597 -0.07292 -0.08486 59 7D-1 0.28486 -0.24400 -0.16686 -0.04126 -0.08079 60 7D+2 0.01447 -0.17267 0.07602 0.04310 0.12728 61 7D-2 0.00791 -0.11129 -0.11421 0.23023 0.07876 62 8D 0 -0.08641 0.06453 0.01233 0.14306 0.08001 63 8D+1 -0.01362 0.05491 0.00510 -0.02422 -0.02617 64 8D-1 0.09451 -0.07925 -0.05377 -0.01319 -0.02458 65 8D+2 0.00448 -0.05601 0.02325 0.01464 0.04043 66 8D-2 0.00279 -0.03960 -0.03796 0.07533 0.02563 67 4 Cu 1S 0.00000 0.00004 -0.00069 -0.00003 0.00026 68 2S 0.00886 -0.00054 0.00899 0.00049 -0.00561 69 3S 0.09246 -0.00079 0.00964 -0.00068 0.00926 70 4PX -0.00471 0.02635 -0.01455 -0.01074 0.00422 71 4PY 0.01721 -0.00384 -0.02186 0.00138 0.00751 72 4PZ -0.01131 -0.01794 -0.01698 0.00725 0.00486 73 5PX -0.02299 -0.11772 0.06171 0.06673 -0.03300 74 5PY -0.01223 0.01607 0.12405 -0.00853 -0.05427 75 5PZ -0.02690 0.08186 0.06580 -0.04484 -0.03875 76 6PX 0.00359 -0.01860 0.00559 -0.01298 -0.00511 77 6PY -0.05797 0.00288 -0.00715 0.00185 -0.00904 78 6PZ 0.01841 0.01179 0.00918 0.00919 -0.00510 79 7D 0 -0.05182 0.15773 0.15267 -0.11082 -0.05052 80 7D+1 -0.12065 -0.08839 0.19419 0.05516 -0.04060 81 7D-1 0.19412 -0.11394 0.09271 0.02972 -0.02265 82 7D+2 0.05234 -0.03829 0.14595 0.04976 -0.05908 83 7D-2 0.11325 0.19560 0.04731 -0.06949 -0.00347 84 8D 0 -0.01544 0.05032 0.04709 -0.03405 -0.01549 85 8D+1 -0.03732 -0.02779 0.05609 0.01708 -0.01232 86 8D-1 0.06180 -0.03406 0.02840 0.01006 -0.00737 87 8D+2 0.01774 -0.01325 0.04743 0.01491 -0.01834 88 8D-2 0.03576 0.05916 0.01318 -0.02254 -0.00132 89 5 Cu 1S 0.00236 0.00301 0.00233 -0.00032 -0.00033 90 2S -0.04308 -0.03222 -0.01760 -0.00875 -0.00729 91 3S -0.02312 0.10206 0.07329 -0.02834 -0.03138 92 4PX -0.00434 -0.00007 -0.00306 0.00078 -0.00378 93 4PY 0.00462 0.00129 -0.00172 0.00266 -0.00124 94 4PZ 0.00048 0.00692 0.00395 0.00014 -0.00019 95 5PX 0.00584 -0.00391 -0.02052 -0.00407 0.01458 96 5PY 0.00107 0.01815 0.00129 -0.00696 0.00314 97 5PZ -0.01478 0.01209 0.00444 -0.01718 -0.01166 98 6PX -0.00644 -0.00777 -0.01429 0.01154 0.00017 99 6PY 0.02260 0.01496 0.01265 -0.00779 -0.00900 100 6PZ -0.02111 0.01887 0.00430 0.00430 -0.00357 101 7D 0 0.20490 -0.12035 0.02271 0.18872 0.06183 102 7D+1 -0.01336 -0.02579 0.30647 0.04874 -0.11426 103 7D-1 -0.13463 -0.24109 0.03441 -0.00029 -0.09589 104 7D+2 -0.09910 -0.00310 -0.13054 -0.09851 -0.06612 105 7D-2 -0.06148 0.01402 -0.03262 -0.20356 -0.15955 106 8D 0 0.06823 -0.03934 0.00807 0.06252 0.02021 107 8D+1 -0.00328 -0.00790 0.10264 0.01543 -0.03745 108 8D-1 -0.04679 -0.08147 0.00978 -0.00021 -0.03137 109 8D+2 -0.03402 -0.00146 -0.04348 -0.03284 -0.02292 110 8D-2 -0.02259 0.00469 -0.01126 -0.06940 -0.05381 111 6 Cu 1S 0.00349 -0.00004 -0.00041 -0.00002 0.00017 112 2S -0.08404 0.00165 -0.04668 0.00068 -0.02115 113 3S -0.02841 0.00356 -0.19246 -0.00067 -0.03249 114 4PX 0.00467 -0.00063 0.00592 0.00162 0.00118 115 4PY -0.00118 0.00014 -0.00303 -0.00011 -0.00715 116 4PZ 0.00679 0.00010 0.00922 -0.00122 0.00347 117 5PX -0.01186 0.01511 -0.03676 -0.00302 -0.00957 118 5PY 0.01374 -0.00236 -0.00511 -0.00033 0.03610 119 5PZ -0.01965 -0.00888 -0.05179 0.00250 -0.02301 120 6PX 0.00384 -0.00277 -0.01925 0.01579 -0.00751 121 6PY -0.00809 0.00054 -0.00833 -0.00303 0.02486 122 6PZ 0.00742 0.00244 -0.02517 -0.01083 -0.01791 123 7D 0 0.11725 0.12699 0.00011 0.08445 0.32110 124 7D+1 0.13739 -0.04828 -0.19814 -0.04472 0.18542 125 7D-1 0.22929 0.03075 0.31581 0.02456 0.03302 126 7D+2 0.16919 -0.09167 0.22845 -0.07228 0.40294 127 7D-2 0.12610 -0.02324 0.13420 -0.00764 -0.08728 128 8D 0 0.04009 0.03976 -0.00161 0.02687 0.10369 129 8D+1 0.04477 -0.01496 -0.06788 -0.01443 0.06047 130 8D-1 0.07586 0.00995 0.10325 0.00717 0.01041 131 8D+2 0.05862 -0.02903 0.07408 -0.02280 0.12966 132 8D-2 0.04082 -0.00793 0.04373 -0.00150 -0.02811 133 7 Cu 1S 0.00228 -0.00317 0.00225 0.00035 -0.00032 134 2S -0.04194 0.03384 -0.01711 0.00990 -0.00716 135 3S -0.02665 -0.10488 0.06943 0.03209 -0.03087 136 4PX 0.00252 -0.00692 0.00412 -0.00048 0.00076 137 4PY 0.00353 -0.00027 -0.00277 -0.00268 -0.00210 138 4PZ -0.00457 -0.00203 -0.00133 -0.00016 -0.00352 139 5PX -0.01586 -0.01595 0.01001 0.01713 -0.01403 140 5PY 0.00385 -0.01544 -0.00408 0.00499 0.00761 141 5PZ 0.00028 0.00270 -0.01766 0.00782 0.00962 142 6PX -0.01362 -0.02331 0.01045 0.00193 -0.00529 143 6PY 0.02314 -0.01075 0.00825 0.00661 -0.00810 144 6PZ -0.01633 0.00369 -0.01323 -0.01345 -0.00046 145 7D 0 -0.12054 -0.03992 0.06975 0.06220 -0.08941 146 7D+1 0.12674 0.05470 0.27058 -0.11338 -0.07753 147 7D-1 -0.14885 0.07080 -0.07567 0.23488 -0.17680 148 7D+2 0.08201 0.15987 -0.09905 -0.13375 0.04597 149 7D-2 -0.12122 0.19215 0.14336 -0.04748 -0.07032 150 8D 0 -0.03959 -0.01326 0.02363 0.02073 -0.02988 151 8D+1 0.04297 0.01703 0.09080 -0.03665 -0.02548 152 8D-1 -0.05251 0.02433 -0.02620 0.07968 -0.05951 153 8D+2 0.02644 0.05352 -0.03320 -0.04489 0.01481 154 8D-2 -0.04095 0.06498 0.04643 -0.01611 -0.02232 155 8 C 1S -0.01662 0.00031 -0.00385 -0.00007 0.00047 156 2S 0.02902 -0.00043 0.00511 0.00016 -0.00129 157 3S 0.08614 -0.00241 0.03358 0.00024 -0.00262 158 4PX -0.00654 -0.03106 0.01741 0.01573 -0.00628 159 4PY 0.04382 0.00417 0.02414 -0.00219 -0.00658 160 4PZ -0.01946 0.02127 0.02067 -0.01041 -0.00820 161 5PX -0.01241 0.00374 -0.00485 0.00598 -0.00038 162 5PY 0.03022 -0.00089 0.00277 -0.00076 -0.00029 163 5PZ -0.02432 -0.00199 -0.00758 -0.00412 -0.00064 164 9 O 1S 0.00304 -0.00004 0.00025 0.00000 0.00007 165 2S -0.01094 0.00003 0.00044 -0.00002 -0.00005 166 3S -0.00223 0.00034 -0.00421 0.00013 -0.00094 167 4PX 0.00736 0.05325 -0.03458 -0.02691 0.01159 168 4PY -0.03387 -0.00813 -0.02683 0.00409 0.00814 169 4PZ 0.01747 -0.03571 -0.04570 0.01758 0.01599 170 5PX 0.00613 0.02548 -0.01631 -0.01563 0.00645 171 5PY -0.01017 -0.00382 -0.01438 0.00241 0.00462 172 5PZ 0.01036 -0.01719 -0.02119 0.01024 0.00894 56 57 58 59 60 O O O O O EIGENVALUES -- -0.26980 -0.26618 -0.26592 -0.26482 -0.26233 1 1 Cu 1S -0.00003 -0.00007 -0.00203 0.00172 -0.00001 2 2S 0.00045 0.00051 0.01872 -0.05920 0.00103 3 3S -0.00162 -0.00257 -0.07130 -0.01712 0.00248 4 4PX -0.00325 -0.00026 0.00115 -0.00528 -0.00236 5 4PY 0.00052 0.00014 0.00288 -0.00585 0.00050 6 4PZ 0.00231 0.00023 0.00093 -0.00617 0.00184 7 5PX -0.00316 0.01705 0.01101 0.01287 0.02250 8 5PY 0.00073 -0.00268 -0.00402 0.02015 -0.00433 9 5PZ 0.00263 -0.01089 0.01804 0.01336 -0.01666 10 6PX -0.01422 -0.01112 -0.00475 0.01147 0.03097 11 6PY 0.00239 0.00179 0.00557 0.00970 -0.00532 12 6PZ 0.01016 0.00750 -0.00961 0.01309 -0.02172 13 7D 0 0.21390 -0.23839 0.20717 -0.03405 -0.03778 14 7D+1 -0.12213 0.14249 0.35882 0.35812 -0.02356 15 7D-1 -0.22904 0.08104 -0.26985 0.15589 -0.25706 16 7D+2 -0.01284 0.08599 -0.00661 -0.24809 0.13046 17 7D-2 0.37241 -0.20266 -0.14078 0.23945 0.33367 18 8D 0 0.07086 -0.07884 0.06914 -0.01199 -0.01249 19 8D+1 -0.04052 0.04710 0.11758 0.11696 -0.00750 20 8D-1 -0.07653 0.02689 -0.08971 0.05173 -0.08310 21 8D+2 -0.00395 0.02846 -0.00057 -0.08220 0.04229 22 8D-2 0.12428 -0.06722 -0.04753 0.07914 0.10777 23 2 Cu 1S 0.00003 -0.00223 -0.00105 0.00035 0.00013 24 2S -0.00016 -0.00504 -0.00790 -0.02156 -0.01940 25 3S -0.01252 -0.10550 -0.03601 0.00861 0.02035 26 4PX -0.00109 0.00459 0.00693 0.01000 0.00854 27 4PY -0.01019 0.00618 -0.00988 0.00278 -0.00286 28 4PZ -0.00925 0.00463 -0.00991 0.00589 0.00194 29 5PX 0.00540 -0.00471 -0.02075 -0.03780 -0.04404 30 5PY 0.06137 -0.01714 0.04580 -0.01027 0.00726 31 5PZ 0.05409 -0.02733 0.04039 -0.02440 -0.00912 32 6PX 0.00519 0.01628 0.00331 -0.01174 -0.03623 33 6PY 0.04978 0.00526 0.00264 0.00283 0.00355 34 6PZ 0.04881 -0.00842 0.00245 0.00387 -0.01029 35 7D 0 -0.14036 -0.02787 -0.02185 -0.04933 0.09800 36 7D+1 0.14963 0.11081 0.13826 0.09786 0.21183 37 7D-1 0.00012 0.06783 0.00837 -0.00525 -0.09997 38 7D+2 -0.04995 0.03507 0.06199 0.03727 -0.06268 39 7D-2 0.14368 -0.11275 -0.10012 -0.06563 -0.22304 40 8D 0 -0.04577 -0.00797 -0.00828 -0.01499 0.03200 41 8D+1 0.04906 0.03616 0.04324 0.03005 0.06739 42 8D-1 0.00047 0.02297 0.00347 -0.00046 -0.03083 43 8D+2 -0.01642 0.01132 0.01840 0.01177 -0.02162 44 8D-2 0.04698 -0.03584 -0.03212 -0.02063 -0.06855 45 3 Cu 1S -0.00004 0.00213 -0.00124 0.00034 -0.00018 46 2S 0.00028 0.00414 -0.00767 -0.02079 0.02180 47 3S 0.01304 0.10118 -0.04439 0.00694 -0.02133 48 4PX 0.00997 -0.00521 -0.01300 0.00294 0.00154 49 4PY 0.00861 -0.00684 -0.00618 0.00398 0.00126 50 4PZ 0.00285 -0.00442 0.00462 0.01072 -0.00896 51 5PX -0.05956 0.03170 0.05104 -0.01331 -0.00748 52 5PY -0.05226 0.01683 0.03320 -0.01431 0.00120 53 5PZ -0.01554 0.00985 -0.01181 -0.04080 0.04461 54 6PX -0.05347 0.01204 0.00116 0.00748 -0.00299 55 6PY -0.04231 -0.00898 0.00384 0.00010 0.00304 56 6PZ -0.01525 -0.01136 0.00529 -0.00902 0.03702 57 7D 0 -0.06324 -0.10407 0.16487 0.11057 -0.10632 58 7D+1 -0.07670 -0.02140 0.05331 0.01515 -0.18047 59 7D-1 -0.11101 0.06043 -0.07330 -0.04176 0.26381 60 7D+2 0.20083 -0.01963 0.00472 -0.02883 -0.01244 61 7D-2 -0.04189 -0.10753 0.06431 0.03690 -0.02114 62 8D 0 -0.02061 -0.03346 0.05154 0.03415 -0.03182 63 8D+1 -0.02532 -0.00796 0.01601 0.00438 -0.05888 64 8D-1 -0.03648 0.01876 -0.02349 -0.01271 0.08208 65 8D+2 0.06552 -0.00722 0.00053 -0.00807 -0.00341 66 8D-2 -0.01412 -0.03526 0.02177 0.01233 -0.00718 67 4 Cu 1S 0.00000 0.00005 0.00080 0.00071 -0.00002 68 2S 0.00006 -0.00037 -0.00674 -0.01634 0.00065 69 3S 0.00012 0.00273 0.04764 0.09117 -0.00169 70 4PX 0.00030 0.00139 0.00112 0.00067 0.00366 71 4PY -0.00014 -0.00013 0.00128 0.00189 -0.00068 72 4PZ -0.00028 -0.00083 0.00131 0.00034 -0.00236 73 5PX -0.00258 0.00146 -0.00778 -0.01533 -0.01801 74 5PY 0.00099 -0.00007 0.00559 0.01844 0.00199 75 5PZ 0.00238 -0.00197 -0.01179 -0.02496 0.01296 76 6PX -0.00817 0.05267 0.02949 -0.02135 -0.04793 77 6PY 0.00202 -0.00561 0.05929 -0.04873 0.00671 78 6PZ 0.00642 -0.03527 0.03529 -0.01757 0.03298 79 7D 0 -0.00207 0.12488 -0.06637 0.03041 -0.05564 80 7D+1 0.00044 -0.05416 0.03879 -0.01337 0.01914 81 7D-1 -0.01479 0.00251 -0.00960 -0.05686 -0.03553 82 7D+2 0.00807 -0.07377 -0.12398 0.04446 0.04504 83 7D-2 0.02143 0.02983 0.03712 -0.05520 0.03299 84 8D 0 -0.00026 0.03661 -0.01943 0.00891 -0.01556 85 8D+1 -0.00001 -0.01597 0.01044 -0.00322 0.00534 86 8D-1 -0.00416 0.00019 -0.00371 -0.01630 -0.01025 87 8D+2 0.00213 -0.02142 -0.03600 0.01264 0.01269 88 8D-2 0.00610 0.00938 0.00996 -0.01573 0.00959 89 5 Cu 1S 0.00031 -0.00199 0.00148 -0.00005 0.00117 90 2S -0.00409 0.03076 -0.03496 -0.02483 -0.02658 91 3S 0.02293 -0.02771 0.00390 -0.05504 0.00182 92 4PX 0.00258 0.00338 -0.00314 -0.00253 -0.00445 93 4PY 0.00200 -0.00307 0.00330 0.00289 0.00299 94 4PZ 0.00060 -0.00256 0.00280 0.00153 0.00192 95 5PX -0.00046 0.00751 0.01575 0.01187 0.02209 96 5PY 0.00767 0.00131 0.00685 -0.01655 -0.00405 97 5PZ 0.00262 0.00856 -0.00911 -0.01182 0.00309 98 6PX 0.01062 -0.01560 -0.00291 0.01345 0.02893 99 6PY 0.01092 0.00223 -0.01718 0.01146 -0.00482 100 6PZ 0.00510 0.00536 -0.00862 -0.01544 0.00792 101 7D 0 0.09403 0.03932 0.15192 0.07190 0.01834 102 7D+1 0.30778 0.38471 0.05357 -0.22536 -0.24191 103 7D-1 0.20298 -0.22928 0.29199 -0.11774 -0.09966 104 7D+2 0.12950 -0.00849 0.19579 -0.16775 -0.02072 105 7D-2 -0.02180 -0.25670 -0.15644 -0.30396 -0.30449 106 8D 0 0.03152 0.01159 0.05127 0.02320 0.00728 107 8D+1 0.10284 0.12819 0.01758 -0.07376 -0.07923 108 8D-1 0.06821 -0.07636 0.09734 -0.03884 -0.03145 109 8D+2 0.04274 -0.00299 0.06452 -0.05484 -0.00690 110 8D-2 -0.00697 -0.08445 -0.05159 -0.09900 -0.09970 111 6 Cu 1S 0.00000 0.00009 0.00216 -0.00070 -0.00003 112 2S 0.00000 0.00001 -0.00453 -0.00661 0.00128 113 3S -0.00062 0.00357 0.07527 -0.03303 -0.00115 114 4PX -0.00747 -0.01416 0.00215 -0.00306 0.00139 115 4PY 0.00125 0.00211 -0.00082 -0.00926 0.00004 116 4PZ 0.00531 0.01005 0.00178 -0.00253 -0.00097 117 5PX 0.05082 0.06245 -0.00377 0.00646 0.00206 118 5PY -0.00826 -0.00920 0.00609 0.02635 -0.00145 119 5PZ -0.03598 -0.04381 -0.00024 0.00403 -0.00196 120 6PX 0.05486 0.01035 0.00590 -0.00034 0.00922 121 6PY 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-0.01195 0.00152 141 5PZ 0.00026 -0.00859 0.01110 0.00876 -0.02246 142 6PX -0.00326 -0.01142 -0.00966 -0.01621 0.00390 143 6PY -0.01195 0.00068 -0.01623 0.01596 0.00107 144 6PZ -0.01011 0.01282 -0.00500 0.00454 -0.02995 145 7D 0 -0.21786 -0.26123 0.16161 -0.18749 0.08279 146 7D+1 -0.22546 -0.26829 0.04717 -0.13876 0.22972 147 7D-1 -0.06338 0.33236 -0.00748 -0.35016 0.30591 148 7D+2 -0.11639 0.11112 0.31305 0.06933 -0.12505 149 7D-2 -0.19602 0.06802 0.22568 -0.04687 0.03981 150 8D 0 -0.07229 -0.08724 0.05283 -0.06127 0.02773 151 8D+1 -0.07560 -0.08882 0.01612 -0.04551 0.07458 152 8D-1 -0.02140 0.10976 -0.00221 -0.11426 0.09987 153 8D+2 -0.03874 0.03848 0.10424 0.02222 -0.04222 154 8D-2 -0.06590 0.02254 0.07508 -0.01570 0.01232 155 8 C 1S 0.00001 0.00008 0.00106 0.00010 0.00026 156 2S -0.00001 -0.00003 -0.00147 -0.00250 -0.00048 157 3S -0.00003 -0.00066 -0.00389 0.00628 -0.00179 158 4PX -0.00111 -0.00784 -0.00485 0.00099 -0.00131 159 4PY 0.00024 0.00086 -0.00707 -0.00044 -0.00043 160 4PZ 0.00091 0.00501 -0.00596 0.00166 0.00125 161 5PX -0.00005 0.00034 -0.00281 -0.00475 0.00616 162 5PY -0.00004 0.00016 0.00186 0.01453 -0.00125 163 5PZ 0.00004 -0.00044 -0.00460 -0.01018 -0.00391 164 9 O 1S 0.00000 -0.00006 -0.00069 -0.00033 -0.00002 165 2S 0.00000 0.00006 0.00095 -0.00008 0.00007 166 3S 0.00002 0.00058 0.00622 0.00698 0.00009 167 4PX 0.00227 0.00495 0.00454 -0.00100 0.00305 168 4PY -0.00046 -0.00049 0.00572 0.00188 -0.00008 169 4PZ -0.00178 -0.00311 0.00569 -0.00216 -0.00209 170 5PX 0.00095 0.00135 0.00253 0.00095 0.00041 171 5PY -0.00022 -0.00014 0.00097 0.00171 0.00019 172 5PZ -0.00082 -0.00070 0.00349 0.00079 -0.00035 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26122 -0.26075 -0.25958 -0.25927 -0.25780 1 1 Cu 1S 0.00087 0.00016 -0.00061 0.00005 -0.00001 2 2S -0.03315 -0.07017 -0.03482 0.00112 -0.00135 3 3S -0.02512 -0.15855 -0.07738 0.00181 -0.00143 4 4PX -0.00441 -0.00745 -0.00401 -0.00122 0.00028 5 4PY -0.00406 -0.00820 -0.00003 -0.00005 0.00002 6 4PZ -0.00547 -0.00885 -0.00551 0.00120 -0.00043 7 5PX 0.01727 0.03774 0.02204 0.00353 0.00117 8 5PY 0.00773 0.03855 -0.01506 0.00188 -0.00084 9 5PZ 0.02356 0.04496 0.03409 -0.00473 0.00020 10 6PX 0.01325 0.01263 0.00751 0.00815 0.00018 11 6PY -0.00200 0.02104 0.00496 -0.00095 -0.00025 12 6PZ 0.02012 0.01302 0.00827 -0.00643 0.00034 13 7D 0 0.07419 0.03053 0.24623 0.06211 -0.01302 14 7D+1 0.34184 0.06664 0.04766 -0.05239 -0.01647 15 7D-1 0.12503 0.50428 0.12877 -0.07017 -0.14989 16 7D+2 -0.07246 0.17244 0.39950 -0.03821 0.08670 17 7D-2 0.14297 0.31344 -0.01540 0.13643 0.20448 18 8D 0 0.02376 0.01091 0.08126 0.02122 -0.00635 19 8D+1 0.11178 0.02281 0.01611 -0.01741 -0.00446 20 8D-1 0.04147 0.16394 0.04199 -0.02207 -0.04908 21 8D+2 -0.02434 0.05697 0.13121 -0.01341 0.02948 22 8D-2 0.04740 0.10174 -0.00537 0.04358 0.06633 23 2 Cu 1S 0.00025 0.00242 0.00033 -0.00092 0.00089 24 2S -0.00913 -0.07082 0.02955 0.03072 0.01544 25 3S 0.01255 0.06546 0.04463 -0.00653 0.07040 26 4PX 0.00209 -0.00524 0.00349 0.00090 0.00287 27 4PY 0.00042 -0.00044 -0.00491 -0.00315 0.00642 28 4PZ 0.00105 -0.00156 -0.00132 0.00000 0.01028 29 5PX -0.01245 0.01562 -0.01170 -0.00808 -0.01369 30 5PY 0.00747 -0.00787 0.03003 0.02767 -0.03248 31 5PZ 0.00807 0.03658 0.01711 0.00027 -0.03548 32 6PX -0.01606 0.00523 -0.00292 -0.00502 -0.00241 33 6PY 0.00986 -0.01319 -0.00357 0.00557 -0.00606 34 6PZ 0.00063 0.01623 0.00154 -0.01002 0.00187 35 7D 0 -0.08003 -0.14429 -0.16659 -0.05159 0.30466 36 7D+1 0.14588 -0.07548 -0.03418 0.12042 -0.11716 37 7D-1 -0.03212 0.17402 -0.18623 -0.22481 -0.17997 38 7D+2 -0.07303 -0.01029 -0.14838 -0.17621 0.06827 39 7D-2 -0.04549 0.10584 -0.04774 0.06103 -0.10312 40 8D 0 -0.02531 -0.04627 -0.05287 -0.01589 0.09775 41 8D+1 0.04327 -0.02283 -0.01128 0.03795 -0.03835 42 8D-1 -0.01024 0.05325 -0.05942 -0.07040 -0.05783 43 8D+2 -0.02380 -0.00172 -0.04725 -0.05734 0.02215 44 8D-2 -0.01636 0.03263 -0.01497 0.01925 -0.03404 45 3 Cu 1S 0.00026 0.00237 0.00054 0.00099 -0.00079 46 2S -0.01026 -0.06756 0.02398 -0.03893 -0.01675 47 3S 0.01294 0.06545 0.04895 0.00203 -0.06682 48 4PX 0.00030 0.00025 -0.00305 0.00140 -0.00981 49 4PY 0.00068 -0.00137 -0.00343 0.00330 -0.00559 50 4PZ 0.00241 -0.00547 0.00339 -0.00217 -0.00528 51 5PX 0.01329 0.02747 0.02400 -0.01081 0.03547 52 5PY 0.00333 -0.00813 0.01963 -0.02900 0.02960 53 5PZ -0.01061 0.02879 -0.00774 0.01443 0.02035 54 6PX 0.00786 0.01044 0.00334 0.00658 -0.00077 55 6PY 0.00618 -0.01344 -0.00543 -0.00596 0.00648 56 6PZ -0.01710 0.01299 -0.00034 0.01022 0.00079 57 7D 0 0.07388 -0.04897 -0.04191 0.04136 0.06927 58 7D+1 0.07783 -0.11873 -0.09281 -0.13112 -0.05654 59 7D-1 -0.08345 0.16823 -0.12452 0.12187 0.14512 60 7D+2 -0.12772 -0.07434 -0.19067 0.27471 -0.25751 61 7D-2 0.05850 0.13039 -0.06825 0.14969 0.23774 62 8D 0 0.02168 -0.01330 -0.01345 0.01471 0.02232 63 8D+1 0.02227 -0.03766 -0.02970 -0.04188 -0.01727 64 8D-1 -0.02815 0.05225 -0.03949 0.03887 0.04729 65 8D+2 -0.03950 -0.02384 -0.06065 0.08710 -0.08318 66 8D-2 0.01850 0.03992 -0.02225 0.04644 0.07633 67 4 Cu 1S -0.00031 -0.00015 -0.00027 0.00002 -0.00003 68 2S 0.00248 -0.02693 0.01031 -0.00152 -0.00031 69 3S -0.02355 -0.01123 0.00710 -0.00014 -0.00007 70 4PX 0.00260 -0.00312 0.00959 -0.00759 0.00576 71 4PY 0.00450 0.01520 0.00774 0.00078 -0.00048 72 4PZ 0.00296 -0.00825 0.01357 0.00336 -0.00401 73 5PX -0.00474 0.00382 -0.03471 0.00513 -0.03150 74 5PY -0.02179 -0.01197 -0.04843 0.00340 0.00342 75 5PZ -0.00267 0.00780 -0.04123 0.00202 0.02109 76 6PX -0.01709 0.01173 0.00671 -0.03312 0.00365 77 6PY -0.02943 0.01574 0.01841 0.00415 -0.00075 78 6PZ -0.01911 0.01257 0.01087 0.02280 -0.00269 79 7D 0 0.00786 -0.02794 0.00541 -0.01449 0.05069 80 7D+1 -0.05724 -0.02358 0.17422 -0.00800 -0.00867 81 7D-1 -0.01105 0.12541 0.01763 0.00477 0.08284 82 7D+2 0.04608 0.01171 -0.09712 0.01342 -0.06225 83 7D-2 -0.03033 0.08596 0.06498 -0.00991 -0.09374 84 8D 0 0.00155 -0.00898 0.00046 -0.00482 0.01479 85 8D+1 -0.01703 -0.01009 0.04904 -0.00169 -0.00253 86 8D-1 -0.00343 0.03875 0.00350 0.00351 0.02439 87 8D+2 0.01241 0.00490 -0.02946 0.00357 -0.01821 88 8D-2 -0.00872 0.02593 0.01754 -0.00562 -0.02751 89 5 Cu 1S -0.00100 0.00029 0.00005 -0.00031 -0.00078 90 2S 0.02830 -0.02770 0.04374 0.03401 -0.01089 91 3S 0.03051 -0.03743 0.07835 0.09749 -0.02799 92 4PX 0.00159 -0.00126 0.00599 0.00404 -0.00062 93 4PY -0.00571 0.00422 -0.00485 -0.00630 0.00211 94 4PZ -0.00358 0.00176 -0.00238 -0.00642 -0.00260 95 5PX 0.00389 0.00403 -0.02610 -0.02462 0.00410 96 5PY 0.03125 -0.01522 0.02554 0.03259 -0.01356 97 5PZ 0.01314 -0.00595 0.00018 0.03263 0.01941 98 6PX 0.01219 0.00016 -0.01629 0.00178 -0.00414 99 6PY 0.02657 -0.01446 0.00292 0.00936 -0.01298 100 6PZ 0.00882 -0.00316 0.00450 0.01727 0.00152 101 7D 0 -0.10473 -0.02777 0.31212 0.00519 -0.24247 102 7D+1 -0.05986 0.03448 0.13534 0.03192 0.23025 103 7D-1 -0.24472 0.29887 -0.21837 -0.37450 0.11457 104 7D+2 0.20196 0.06919 -0.01856 0.02117 -0.04536 105 7D-2 0.27550 0.00731 0.00893 0.27578 0.04264 106 8D 0 -0.03455 -0.00884 0.10274 0.00245 -0.08001 107 8D+1 -0.01851 0.01125 0.04464 0.01036 0.07591 108 8D-1 -0.07977 0.09693 -0.07036 -0.12217 0.03792 109 8D+2 0.06571 0.02283 -0.00532 0.00744 -0.01725 110 8D-2 0.08975 0.00197 0.00344 0.09034 0.01405 111 6 Cu 1S -0.00055 0.00119 -0.00303 0.00028 0.00002 112 2S 0.03647 -0.03938 0.02414 -0.00335 -0.00107 113 3S -0.02222 0.03832 -0.13472 0.01181 -0.00039 114 4PX 0.00172 0.00113 -0.00155 -0.00035 0.00315 115 4PY 0.00867 0.00386 0.00051 0.00007 -0.00029 116 4PZ 0.00060 0.00070 -0.00233 0.00058 -0.00229 117 5PX -0.01221 0.00630 -0.01456 -0.01869 -0.01399 118 5PY -0.03956 -0.01026 0.00456 0.00276 0.00135 119 5PZ -0.00816 0.00955 -0.01718 0.01570 0.01030 120 6PX -0.00829 0.00198 -0.01261 -0.00103 -0.00298 121 6PY -0.03816 0.00601 0.00612 0.00039 0.00012 122 6PZ -0.00305 0.00103 -0.01833 0.00287 0.00220 123 7D 0 0.13097 0.00362 -0.10578 -0.12474 -0.18293 124 7D+1 0.13393 -0.02419 -0.12713 0.06385 0.04454 125 7D-1 0.24212 -0.00046 -0.04193 -0.01776 -0.16262 126 7D+2 0.20865 0.00596 -0.06861 0.08243 0.16734 127 7D-2 0.12603 -0.00738 -0.02220 -0.00785 0.19300 128 8D 0 0.04084 0.00098 -0.03374 -0.03902 -0.05926 129 8D+1 0.04317 -0.00774 -0.04289 0.02031 0.01449 130 8D-1 0.07622 -0.00081 -0.01201 -0.00509 -0.05282 131 8D+2 0.06434 0.00155 -0.02012 0.02546 0.05423 132 8D-2 0.04012 -0.00260 -0.00703 -0.00329 0.06264 133 7 Cu 1S -0.00096 0.00024 0.00009 0.00032 0.00078 134 2S 0.02702 -0.02428 0.03607 -0.04236 0.01016 135 3S 0.02928 -0.03035 0.05925 -0.11056 0.02538 136 4PX -0.00471 0.00218 -0.00354 0.00939 0.00204 137 4PY -0.00461 0.00326 -0.00217 0.00509 -0.00220 138 4PZ 0.00087 -0.00086 0.00488 -0.00329 0.00170 139 5PX 0.01635 -0.00643 0.00623 -0.04683 -0.01550 140 5PY 0.02896 -0.01165 0.01454 -0.02581 0.01502 141 5PZ 0.00475 0.00210 -0.02408 0.02019 -0.01213 142 6PX 0.00931 -0.00451 0.00673 -0.01892 -0.00081 143 6PY 0.02694 -0.01325 -0.00267 -0.00783 0.01349 144 6PZ 0.01154 0.00049 -0.01440 -0.00416 0.00160 145 7D 0 0.10328 0.05503 -0.01678 0.00456 -0.15910 146 7D+1 -0.08704 -0.00988 0.27044 -0.15134 -0.06273 147 7D-1 0.21875 0.15404 -0.12636 -0.08658 -0.06798 148 7D+2 -0.10540 0.07906 0.13113 0.17316 0.24272 149 7D-2 -0.32541 0.23309 -0.14997 0.44838 -0.20394 150 8D 0 0.03426 0.01822 -0.00515 0.00142 -0.05076 151 8D+1 -0.02783 -0.00319 0.08894 -0.04983 -0.02114 152 8D-1 0.07119 0.04979 -0.04043 -0.02886 -0.02176 153 8D+2 -0.03494 0.02599 0.04368 0.05562 0.08111 154 8D-2 -0.10569 0.07550 -0.04847 0.14657 -0.06794 155 8 C 1S 0.00043 -0.01859 0.00878 -0.00126 -0.00032 156 2S -0.00045 0.03909 -0.02049 0.00288 0.00062 157 3S -0.00679 0.09393 -0.03669 0.00543 0.00174 158 4PX -0.00112 -0.00701 -0.00187 0.00710 -0.00025 159 4PY -0.00191 0.04909 -0.02792 0.00252 0.00084 160 4PZ -0.00135 -0.02191 0.00268 -0.00578 -0.00031 161 5PX 0.00204 -0.00138 -0.00076 0.00884 -0.00051 162 5PY -0.00222 0.01107 -0.00755 -0.00022 0.00028 163 5PZ 0.00349 -0.00444 -0.00051 -0.00631 0.00029 164 9 O 1S 0.00029 0.00294 -0.00097 0.00014 0.00006 165 2S -0.00048 -0.00906 0.00382 -0.00056 -0.00015 166 3S -0.00246 -0.01053 -0.00008 0.00004 -0.00030 167 4PX 0.00403 0.00220 0.01062 -0.01615 0.00144 168 4PY 0.00211 -0.03321 0.02220 -0.00021 -0.00079 169 4PZ 0.00559 0.01103 0.01265 0.00960 -0.00064 170 5PX 0.00186 0.00087 0.00632 -0.01060 0.00102 171 5PY 0.00224 -0.01402 0.00861 0.00061 -0.00044 172 5PZ 0.00233 0.00438 0.00881 0.00626 -0.00054 66 67 68 69 70 O O O O O EIGENVALUES -- -0.25748 -0.25739 -0.25299 -0.25190 -0.25144 1 1 Cu 1S -0.00001 0.00034 0.00023 0.00000 0.00013 2 2S -0.00147 0.02030 0.03279 -0.00042 0.01262 3 3S 0.00243 -0.01279 0.02553 -0.00041 0.02199 4 4PX 0.00003 0.00091 0.00490 0.00652 0.00319 5 4PY 0.00028 -0.00407 -0.00660 -0.00092 -0.00239 6 4PZ -0.00014 0.00219 0.00835 -0.00480 0.00473 7 5PX -0.00360 0.00149 -0.01470 -0.03518 -0.01112 8 5PY -0.00194 0.03166 0.03460 0.00491 0.01144 9 5PZ 0.00205 -0.00430 -0.02810 0.02530 -0.01661 10 6PX 0.01220 -0.00727 -0.00524 -0.00508 -0.00897 11 6PY -0.00320 0.01548 0.00925 0.00055 0.00751 12 6PZ -0.00702 -0.01600 -0.00925 0.00410 -0.01401 13 7D 0 0.07503 -0.09259 -0.22088 0.37281 -0.11538 14 7D+1 -0.05346 0.07233 -0.16474 -0.14793 -0.25839 15 7D-1 -0.09682 0.03212 0.02311 0.05258 0.08099 16 7D+2 0.01405 -0.19820 -0.25073 -0.21341 -0.00835 17 7D-2 0.13926 0.12031 0.07645 0.02208 0.02913 18 8D 0 0.02351 -0.03033 -0.07271 0.12332 -0.03790 19 8D+1 -0.01711 0.02322 -0.05394 -0.04882 -0.08407 20 8D-1 -0.03223 0.01048 0.00691 0.01827 0.02586 21 8D+2 0.00530 -0.06424 -0.08293 -0.07094 -0.00355 22 8D-2 0.04609 0.03918 0.02480 0.00613 0.00935 23 2 Cu 1S -0.00120 -0.00124 -0.00252 0.00228 -0.00108 24 2S 0.00245 0.01556 0.01664 0.02561 -0.01277 25 3S -0.05999 -0.05898 -0.07089 0.09722 -0.03791 26 4PX -0.00276 -0.00012 0.00159 -0.01111 0.00707 27 4PY 0.00563 0.00212 0.00115 -0.00063 -0.00489 28 4PZ 0.00069 -0.00200 -0.00344 -0.00393 -0.00215 29 5PX 0.01003 0.00714 -0.00198 0.04460 -0.02908 30 5PY -0.00785 0.00562 0.00885 -0.00361 0.01567 31 5PZ -0.00867 0.00497 0.00209 0.02120 0.00267 32 6PX 0.00141 0.00769 0.00005 -0.00324 0.00111 33 6PY 0.00563 -0.00405 0.00518 -0.00994 -0.00274 34 6PZ -0.00814 -0.00612 -0.00746 0.00300 -0.00673 35 7D 0 0.02597 -0.06342 -0.02333 -0.20171 0.03523 36 7D+1 -0.17401 0.05937 0.02284 -0.13738 -0.08068 37 7D-1 0.11744 0.13491 0.20712 -0.21084 0.07807 38 7D+2 0.09443 0.04914 -0.04580 0.26583 -0.20831 39 7D-2 -0.19461 0.05564 -0.03229 -0.02692 -0.16452 40 8D 0 0.00892 -0.02008 -0.00711 -0.06413 0.01211 41 8D+1 -0.05672 0.01876 0.00850 -0.04501 -0.02510 42 8D-1 0.03795 0.04347 0.06693 -0.06728 0.02475 43 8D+2 0.02986 0.01599 -0.01497 0.08542 -0.06645 44 8D-2 -0.06255 0.01825 -0.01145 -0.00699 -0.05291 45 3 Cu 1S 0.00138 -0.00107 -0.00257 -0.00221 -0.00114 46 2S -0.00585 0.01429 0.01624 -0.02532 -0.01309 47 3S 0.06752 -0.05161 -0.07317 -0.09499 -0.03980 48 4PX -0.00219 -0.00225 -0.00353 0.00034 -0.00512 49 4PY -0.00495 0.00116 0.00186 0.00230 -0.00283 50 4PZ 0.00314 -0.00078 0.00023 0.01142 0.00685 51 5PX 0.01120 0.00714 0.00449 -0.00513 0.01423 52 5PY 0.00240 0.00846 0.00860 -0.00256 0.00839 53 5PZ -0.00820 0.00700 -0.00307 -0.04871 -0.02988 54 6PX 0.00833 -0.00743 -0.00572 -0.00142 -0.00728 55 6PY -0.00634 -0.00224 0.00646 0.01080 -0.00137 56 6PZ 0.00130 0.00627 -0.00342 0.00060 -0.00095 57 7D 0 -0.00764 0.06524 -0.02750 -0.19811 -0.18054 58 7D+1 0.19213 0.03123 -0.00115 0.28137 -0.01519 59 7D-1 0.07130 0.13522 0.03074 -0.00971 -0.18076 60 7D+2 -0.18867 -0.05634 0.02819 0.04054 0.01735 61 7D-2 -0.10031 0.11328 0.21584 0.22424 0.14339 62 8D 0 -0.00143 0.02095 -0.00825 -0.06256 -0.05741 63 8D+1 0.06195 0.01008 0.00052 0.09027 -0.00397 64 8D-1 0.02291 0.04391 0.00886 -0.00471 -0.05826 65 8D+2 -0.06118 -0.01788 0.00930 0.01255 0.00606 66 8D-2 -0.03220 0.03622 0.07020 0.07244 0.04568 67 4 Cu 1S -0.00001 0.00035 0.00187 -0.00003 0.00009 68 2S -0.00098 0.01036 0.00364 0.00009 -0.00239 69 3S 0.00061 -0.00347 0.13561 -0.00094 -0.00175 70 4PX -0.01329 0.00087 0.00797 0.00155 -0.00158 71 4PY 0.00254 -0.00688 -0.00990 -0.00017 -0.00113 72 4PZ 0.00870 0.00484 0.01317 -0.00119 -0.00211 73 5PX 0.04940 0.01537 -0.02382 -0.01658 0.00991 74 5PY -0.00993 0.02913 0.01781 0.00240 0.00973 75 5PZ -0.03583 0.00800 -0.03605 0.01148 0.01248 76 6PX -0.01938 0.01750 -0.00703 -0.02679 0.00915 77 6PY -0.00077 0.03520 0.01984 0.00336 0.01624 78 6PZ 0.01040 0.02030 -0.01417 0.01855 0.00968 79 7D 0 -0.08720 -0.00569 0.04457 0.01557 0.00124 80 7D+1 0.02366 -0.02002 0.12678 -0.00266 -0.02974 81 7D-1 -0.08797 -0.09300 -0.24859 0.03129 -0.00111 82 7D+2 0.08839 -0.00438 -0.09289 -0.02041 0.02073 83 7D-2 0.11199 -0.05361 -0.13694 -0.03517 -0.01102 84 8D 0 -0.02606 -0.00177 0.01344 0.00511 0.00079 85 8D+1 0.00736 -0.00639 0.03953 -0.00101 -0.00911 86 8D-1 -0.02470 -0.02933 -0.07821 0.00937 -0.00015 87 8D+2 0.02580 -0.00173 -0.02999 -0.00633 0.00707 88 8D-2 0.03154 -0.01727 -0.04282 -0.01037 -0.00346 89 5 Cu 1S 0.00042 0.00002 0.00013 -0.00022 -0.00010 90 2S 0.03434 0.02279 0.03330 -0.01011 -0.00935 91 3S 0.06160 0.06450 0.03237 -0.02386 -0.02239 92 4PX 0.00194 0.00386 0.00444 -0.00076 -0.00645 93 4PY -0.00593 -0.00256 -0.00860 0.00543 -0.00090 94 4PZ 0.00083 -0.00478 0.00720 -0.00273 -0.00211 95 5PX -0.01459 -0.02076 -0.01444 -0.00133 0.03465 96 5PY 0.02949 0.01116 0.03373 -0.02339 0.00806 97 5PZ -0.01591 0.02700 -0.04098 0.01351 0.01118 98 6PX -0.00247 -0.01148 -0.00517 0.00881 0.01174 99 6PY 0.00877 -0.00639 0.00753 -0.01724 -0.00440 100 6PZ -0.00183 0.01083 -0.00887 0.00952 0.00463 101 7D 0 0.40449 0.08275 0.35683 -0.08725 -0.03151 102 7D+1 0.01707 0.37867 -0.11506 0.01417 0.05537 103 7D-1 0.01200 -0.11440 0.06054 -0.09810 -0.08998 104 7D+2 -0.03432 -0.03092 0.10558 -0.25095 0.27661 105 7D-2 0.03638 -0.01240 0.16779 -0.16748 -0.25322 106 8D 0 0.13327 0.02697 0.11785 -0.02924 -0.01076 107 8D+1 0.00442 0.12155 -0.03767 0.00481 0.01766 108 8D-1 0.00478 -0.03754 0.01979 -0.03118 -0.02981 109 8D+2 -0.01284 -0.00938 0.03476 -0.08275 0.09196 110 8D-2 0.01295 -0.00358 0.05485 -0.05440 -0.08293 111 6 Cu 1S 0.00010 -0.00095 -0.00244 -0.00002 0.00271 112 2S -0.00495 0.05591 0.01680 -0.00059 0.02010 113 3S -0.00204 0.03743 -0.07193 -0.00142 0.09981 114 4PX 0.00967 0.00084 -0.00166 0.00290 0.00268 115 4PY -0.00080 -0.00809 0.00021 -0.00063 0.01479 116 4PZ -0.00694 0.00087 -0.00225 -0.00203 0.00056 117 5PX -0.05239 -0.00976 -0.00474 -0.00512 -0.00429 118 5PY 0.00472 0.03957 0.00314 0.00157 -0.06593 119 5PZ 0.03883 -0.01151 -0.00845 0.00344 0.00782 120 6PX -0.00624 -0.00189 -0.00361 0.00900 0.00537 121 6PY -0.00131 0.02544 0.00303 -0.00135 -0.00313 122 6PZ 0.00529 -0.00663 -0.00603 -0.00656 0.00810 123 7D 0 -0.35395 0.12579 -0.04054 0.00820 -0.08907 124 7D+1 0.11108 0.36855 -0.18766 0.00728 0.24909 125 7D-1 -0.00596 -0.35294 0.03536 0.08386 0.18967 126 7D+2 0.20276 -0.06177 0.06375 -0.03768 -0.25668 127 7D-2 -0.02167 -0.18577 -0.01536 -0.11969 0.24407 128 8D 0 -0.11352 0.04076 -0.01349 0.00339 -0.02822 129 8D+1 0.03577 0.11594 -0.06091 0.00194 0.08017 130 8D-1 -0.00246 -0.11161 0.01010 0.02654 0.06225 131 8D+2 0.06491 -0.01704 0.01974 -0.01236 -0.08153 132 8D-2 -0.00642 -0.05940 -0.00568 -0.03771 0.07907 133 7 Cu 1S -0.00043 -0.00003 0.00013 0.00023 -0.00010 134 2S -0.03813 0.01738 0.03370 0.00965 -0.00882 135 3S -0.07290 0.05454 0.03410 0.02428 -0.02164 136 4PX 0.00214 -0.00587 0.00358 0.00118 -0.00008 137 4PY 0.00557 -0.00026 -0.00860 -0.00528 -0.00192 138 4PZ -0.00332 0.00186 0.00794 0.00244 -0.00641 139 5PX -0.00188 0.03356 -0.02687 -0.00793 0.00089 140 5PY -0.02811 -0.00098 0.03648 0.02402 0.01342 141 5PZ 0.02516 -0.00797 -0.03316 -0.00722 0.03417 142 6PX -0.00313 0.01207 -0.00523 -0.00246 -0.00034 143 6PY -0.00619 -0.01043 0.00810 0.01643 -0.00236 144 6PZ 0.00547 -0.00519 -0.00921 -0.01421 0.01285 145 7D 0 0.12067 0.19418 -0.14662 0.09282 0.30608 146 7D+1 -0.31503 0.29357 0.12252 0.00325 -0.10041 147 7D-1 0.03003 -0.08802 0.18439 0.25770 -0.15708 148 7D+2 -0.24979 -0.12307 0.32390 0.16741 0.13345 149 7D-2 0.08295 -0.01733 -0.12875 -0.04323 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-0.01509 0.02250 -0.00210 0.01160 0.00813 61 7D-2 -0.02380 0.03937 0.07342 0.01704 0.01003 62 8D 0 0.00117 -0.01092 0.00528 0.00183 -0.00785 63 8D+1 -0.00241 -0.00948 -0.00348 -0.01433 -0.00513 64 8D-1 -0.00985 0.00050 0.00610 -0.01486 -0.00237 65 8D+2 -0.00517 0.00747 -0.00184 0.00496 0.00244 66 8D-2 -0.00741 0.00973 0.02265 0.00530 0.00387 67 4 Cu 1S 0.00008 0.00012 0.00119 0.00175 0.00222 68 2S 0.00215 0.00769 0.12842 0.06615 0.03431 69 3S -0.00336 -0.00347 -0.01023 -0.06620 0.02487 70 4PX -0.04352 0.01710 -0.01113 0.00290 -0.01045 71 4PY 0.00819 -0.00563 -0.06732 -0.00959 0.00692 72 4PZ 0.03241 -0.01210 0.00320 0.00703 -0.01585 73 5PX 0.20600 -0.05385 0.05929 0.00913 0.03219 74 5PY -0.03826 0.02049 0.26918 0.05951 0.01756 75 5PZ -0.15234 0.04011 0.00735 -0.00291 0.03890 76 6PX 0.00424 0.05054 -0.07754 0.03882 -0.13472 77 6PY 0.01288 -0.01514 -0.14366 0.07965 -0.10689 78 6PZ 0.00838 -0.04308 -0.08285 0.03990 -0.14990 79 7D 0 0.11726 -0.05261 -0.07271 -0.01785 0.01183 80 7D+1 -0.05850 0.01309 -0.02871 -0.08251 0.02299 81 7D-1 -0.07249 -0.04158 -0.04794 -0.03648 0.01415 82 7D+2 -0.02194 0.03745 -0.12704 0.01192 0.00835 83 7D-2 0.13151 0.04157 0.00349 -0.03964 0.00836 84 8D 0 0.02724 -0.01152 -0.01431 -0.00398 -0.00078 85 8D+1 -0.01312 0.00294 -0.00139 -0.01719 0.00452 86 8D-1 -0.01332 -0.01035 -0.01629 -0.00968 0.00389 87 8D+2 -0.00683 0.00855 -0.03063 0.00132 -0.00339 88 8D-2 0.02558 0.01030 -0.00224 -0.00942 0.00399 89 5 Cu 1S -0.00177 0.00883 -0.00130 -0.00573 -0.00334 90 2S 0.00253 0.20367 0.01123 -0.12469 -0.03049 91 3S -0.07078 0.23471 0.03845 -0.10356 -0.04211 92 4PX -0.00887 0.00828 -0.00729 0.05360 -0.01371 93 4PY 0.02162 0.03179 -0.02540 0.00918 -0.04591 94 4PZ -0.03127 0.02452 -0.00814 -0.00956 0.00581 95 5PX 0.04022 -0.00859 0.02573 -0.23154 0.03452 96 5PY -0.10045 -0.15941 0.08793 -0.01849 0.19548 97 5PZ 0.07967 -0.10247 0.03752 0.05355 -0.00509 98 6PX 0.04385 0.00044 0.00946 -0.10077 0.08560 99 6PY -0.01098 -0.05225 0.08659 0.00085 0.30343 100 6PZ 0.05201 -0.09606 -0.03169 0.04847 -0.01142 101 7D 0 -0.05645 -0.00378 0.00882 0.00457 -0.00594 102 7D+1 -0.00060 -0.00356 -0.00215 -0.00688 -0.01305 103 7D-1 -0.01226 0.00844 -0.04817 -0.01359 0.01669 104 7D+2 -0.01353 -0.03253 0.01885 -0.07041 0.01184 105 7D-2 0.00300 0.02879 0.01472 0.02723 0.00223 106 8D 0 -0.01980 0.00041 0.00336 0.00133 0.00001 107 8D+1 0.00158 -0.00202 -0.00099 -0.00153 -0.00475 108 8D-1 -0.00576 0.00362 -0.01370 -0.00451 0.00353 109 8D+2 -0.00406 -0.00937 0.00663 -0.01907 0.00472 110 8D-2 -0.00027 0.00677 0.00413 0.00842 -0.00063 111 6 Cu 1S -0.00016 -0.00004 -0.00320 0.00893 0.00259 112 2S -0.00305 0.00322 -0.01149 0.28555 0.07436 113 3S -0.00683 -0.00304 -0.07581 0.05241 0.02230 114 4PX 0.02029 -0.02296 -0.01210 0.01118 0.00911 115 4PY -0.00317 0.00327 -0.01009 0.03064 -0.02682 116 4PZ -0.01540 0.01503 -0.01845 0.00863 0.01573 117 5PX -0.05872 0.08324 0.02715 -0.08394 -0.04539 118 5PY 0.01036 -0.01257 0.02704 -0.11388 0.11997 119 5PZ 0.04439 -0.05730 0.04407 -0.09253 -0.08108 120 6PX 0.05111 -0.02284 0.00603 -0.04551 -0.05883 121 6PY -0.01143 0.00709 0.07579 -0.02688 0.03072 122 6PZ -0.03273 0.01516 -0.01047 -0.05913 -0.09336 123 7D 0 0.00993 -0.00431 -0.02533 -0.00696 -0.02040 124 7D+1 -0.00963 -0.00784 -0.01438 -0.04497 0.02425 125 7D-1 -0.02056 -0.05112 -0.02605 0.01402 -0.00457 126 7D+2 0.00477 0.02174 -0.04275 0.02231 -0.05085 127 7D-2 0.03268 0.06826 -0.01062 -0.00319 0.01635 128 8D 0 0.00371 -0.00361 -0.00769 -0.00098 -0.00425 129 8D+1 -0.00315 -0.00099 -0.00497 -0.01180 0.00890 130 8D-1 -0.00567 -0.01304 -0.00807 0.00596 -0.00001 131 8D+2 0.00078 0.00678 -0.01286 0.00785 -0.01292 132 8D-2 0.00936 0.01666 -0.00323 0.00019 0.00530 133 7 Cu 1S 0.00150 -0.00909 -0.00047 -0.00547 -0.00361 134 2S -0.00643 -0.20638 0.02864 -0.11918 -0.03275 135 3S 0.06809 -0.23469 0.06444 -0.09711 -0.05012 136 4PX 0.02003 -0.02822 -0.00660 -0.02311 0.00048 137 4PY -0.02256 -0.03059 -0.02362 0.02165 -0.04935 138 4PZ 0.02196 -0.01088 -0.00366 0.04543 -0.00142 139 5PX -0.03394 0.13195 0.03106 0.11539 0.02440 140 5PY 0.09703 0.14704 0.07827 -0.07537 0.20228 141 5PZ -0.07905 0.01777 0.01793 -0.19425 -0.00851 142 6PX -0.02248 0.09976 -0.02261 0.07395 0.02063 143 6PY 0.00024 0.04560 0.08366 -0.02729 0.32351 144 6PZ -0.05658 0.02109 -0.01810 -0.07731 0.01406 145 7D 0 -0.00548 0.03109 0.00711 -0.06238 0.00081 146 7D+1 0.02822 -0.00878 0.00703 0.02351 -0.01713 147 7D-1 0.00155 -0.01765 0.00287 -0.00335 0.01483 148 7D+2 0.05015 0.02030 -0.00237 -0.04033 0.01036 149 7D-2 -0.00307 -0.01269 -0.05247 -0.00349 0.01008 150 8D 0 -0.00406 0.00980 0.00224 -0.01694 0.00041 151 8D+1 0.00887 -0.00218 0.00188 0.00697 -0.00516 152 8D-1 0.00204 -0.00407 0.00111 -0.00032 0.00296 153 8D+2 0.01783 0.00383 0.00108 -0.01140 0.00512 154 8D-2 -0.00051 -0.00459 -0.01543 -0.00187 0.00111 155 8 C 1S 0.00012 0.00061 0.01134 0.00393 0.00220 156 2S -0.00041 -0.00168 -0.03507 -0.01028 -0.00016 157 3S 0.00039 -0.00147 -0.01834 -0.00635 -0.00978 158 4PX 0.41464 -0.10478 0.25892 0.02262 -0.17269 159 4PY -0.07926 0.02542 0.14589 0.00553 -0.11478 160 4PZ -0.30668 0.09311 0.30797 0.02623 -0.20916 161 5PX 0.23408 -0.05856 0.14753 0.01105 -0.11664 162 5PY -0.04497 0.01590 0.11322 0.01043 -0.04357 163 5PZ -0.17368 0.05191 0.16855 0.01035 -0.14922 164 9 O 1S -0.00008 -0.00030 -0.00401 -0.00240 -0.00899 165 2S 0.00026 0.00091 0.01316 0.00704 0.02400 166 3S 0.00012 0.00135 0.01664 0.01152 0.05748 167 4PX -0.30819 0.06450 -0.18925 -0.01799 0.08682 168 4PY 0.05875 -0.01645 -0.09970 -0.00249 0.06759 169 4PZ 0.22764 -0.06024 -0.22774 -0.02139 0.10311 170 5PX -0.22386 0.05219 -0.14127 -0.01345 0.08097 171 5PY 0.04248 -0.01332 -0.08195 -0.00663 0.05054 172 5PZ 0.16565 -0.04743 -0.16784 -0.01497 0.09892 81 82 83 84 85 V V V V V EIGENVALUES -- -0.02044 -0.00488 -0.00162 0.00684 0.01841 1 1 Cu 1S 0.00024 0.00248 0.00009 0.00184 -0.00569 2 2S 0.00082 -0.09310 0.00131 -0.00909 -0.11339 3 3S 0.00439 -0.24337 0.00369 0.09712 -0.14581 4 4PX 0.03414 -0.02340 0.00535 -0.01202 0.00756 5 4PY -0.00516 -0.05431 -0.00057 0.01571 0.03087 6 4PZ -0.02623 -0.02148 -0.00391 -0.02013 0.00372 7 5PX -0.13513 0.11485 0.00442 0.07074 -0.06629 8 5PY 0.02080 0.24667 -0.00152 -0.09694 -0.18985 9 5PZ 0.10506 0.10989 -0.00183 0.12068 -0.05204 10 6PX -0.23258 0.25634 0.05502 0.24964 -0.00566 11 6PY 0.03915 0.50925 -0.00828 -0.13511 -0.30904 12 6PZ 0.17504 0.25306 -0.03752 0.38162 0.06375 13 7D 0 0.00564 -0.00572 0.00389 -0.02131 0.00903 14 7D+1 -0.00141 -0.00803 0.00229 -0.04882 0.03226 15 7D-1 0.00196 -0.00734 0.02922 0.00429 0.01351 16 7D+2 -0.00385 -0.00646 -0.01522 -0.00064 -0.00270 17 7D-2 -0.00251 -0.00441 -0.04025 -0.00170 0.01390 18 8D 0 0.00313 -0.00352 0.00414 -0.00587 0.00277 19 8D+1 -0.00103 -0.00408 -0.00088 -0.01209 0.00588 20 8D-1 0.00139 -0.00335 0.00677 -0.00164 0.00243 21 8D+2 -0.00222 -0.00412 -0.00521 -0.00187 0.00126 22 8D-2 -0.00147 -0.00161 -0.00850 -0.00182 0.00197 23 2 Cu 1S 0.00167 0.00112 0.00352 -0.00247 0.00178 24 2S 0.06936 -0.00263 -0.03206 0.01399 -0.03102 25 3S 0.05378 -0.04957 -0.29136 0.52483 0.21927 26 4PX 0.02326 0.00735 -0.00215 0.05187 -0.03782 27 4PY 0.01708 0.01039 -0.03976 -0.00260 -0.00690 28 4PZ 0.03587 0.02876 0.02064 0.00254 0.00377 29 5PX -0.09623 0.02228 0.08868 -0.20846 0.14546 30 5PY -0.02907 0.03725 0.15706 -0.04540 0.08703 31 5PZ -0.13317 -0.05603 -0.15795 0.02921 -0.04570 32 6PX -0.07637 0.01611 0.05343 -0.24530 0.56621 33 6PY 0.07232 0.06646 0.38026 0.04040 0.56090 34 6PZ -0.03750 -0.12586 -0.25428 -0.08934 -0.59451 35 7D 0 -0.02264 0.07162 -0.02677 0.01054 -0.00452 36 7D+1 0.00083 0.00900 0.03114 -0.01583 0.00307 37 7D-1 -0.01835 -0.00036 0.00011 0.02379 0.05917 38 7D+2 0.03547 0.01797 -0.03592 -0.04407 0.01597 39 7D-2 -0.02359 -0.02993 -0.02610 0.01396 -0.00478 40 8D 0 -0.00565 0.02271 -0.00711 0.00478 -0.00336 41 8D+1 -0.00128 0.00071 0.01067 -0.00355 0.00182 42 8D-1 -0.00661 0.00036 -0.00008 0.00449 0.01203 43 8D+2 0.00880 0.00373 -0.01299 -0.01552 0.01008 44 8D-2 -0.00413 -0.01024 -0.00733 0.00429 -0.00259 45 3 Cu 1S -0.00170 0.00110 -0.00359 -0.00243 0.00176 46 2S -0.07127 -0.00155 0.03281 0.01381 -0.03095 47 3S -0.05322 -0.05025 0.29947 0.51311 0.22896 48 4PX -0.02692 0.02633 -0.01248 -0.01442 0.01398 49 4PY -0.01403 0.00778 0.04277 0.00703 -0.01464 50 4PZ -0.03186 0.01557 -0.01031 0.04973 -0.03300 51 5PX 0.09268 -0.05125 0.14553 0.08074 -0.06838 52 5PY 0.02169 0.04792 -0.19750 -0.08649 0.11823 53 5PZ 0.13358 -0.00518 -0.00640 -0.17723 0.10652 54 6PX -0.00935 -0.10947 0.17824 0.00547 -0.61103 55 6PY -0.06621 0.08239 -0.42646 0.01391 0.73191 56 6PZ 0.09108 -0.03818 0.08815 -0.26692 0.24214 57 7D 0 -0.04215 0.00256 -0.00637 -0.04891 0.01035 58 7D+1 0.02526 0.03471 -0.01168 0.00774 -0.00921 59 7D-1 0.01275 -0.02699 0.03333 0.00599 0.02272 60 7D+2 0.00006 0.06615 0.03733 -0.00581 0.02409 61 7D-2 0.01420 -0.01109 -0.02944 0.02281 0.04974 62 8D 0 -0.00943 -0.00172 -0.00073 -0.01601 0.00888 63 8D+1 0.00696 0.00975 -0.00568 0.00498 -0.00460 64 8D-1 0.00227 -0.00954 0.01057 -0.00002 0.00561 65 8D+2 0.00082 0.02098 0.01215 -0.00290 0.00658 66 8D-2 0.00615 -0.00289 -0.00924 0.00506 0.00958 67 4 Cu 1S -0.00002 -0.00315 -0.00010 0.00064 0.00338 68 2S -0.00047 -0.05479 -0.00194 -0.02377 0.10548 69 3S -0.00200 -0.18636 -0.00828 -0.40184 0.25650 70 4PX 0.00299 0.02989 0.04323 -0.00098 0.00359 71 4PY -0.00050 0.02981 -0.00701 -0.00412 -0.00539 72 4PZ -0.00182 0.03574 -0.03007 -0.00011 0.00613 73 5PX -0.01519 -0.07225 -0.08680 0.00910 -0.03213 74 5PY 0.00214 -0.07089 0.01394 -0.04066 0.12335 75 5PZ 0.01030 -0.08583 0.05959 0.02302 -0.07500 76 6PX 0.26933 0.14699 0.29211 0.20844 0.21818 77 6PY -0.04124 -0.01181 -0.04827 -0.36489 0.15283 78 6PZ -0.18882 0.21447 -0.19846 0.39128 0.26152 79 7D 0 0.00527 -0.05583 0.08021 0.01548 0.00489 80 7D+1 -0.00552 -0.02641 -0.03800 0.01683 0.03214 81 7D-1 -0.02407 -0.00778 -0.02120 -0.01170 -0.07704 82 7D+2 0.00812 -0.07698 -0.03165 0.01194 -0.03891 83 7D-2 0.03524 0.01551 0.05076 -0.01106 -0.03897 84 8D 0 -0.00471 -0.01451 0.01997 0.00177 0.00175 85 8D+1 0.00135 -0.00760 -0.00948 0.00035 0.00863 86 8D-1 -0.00490 -0.00036 -0.00496 0.00446 -0.02006 87 8D+2 0.00441 -0.01910 -0.00804 0.00444 -0.00949 88 8D-2 0.00576 0.00488 0.01238 0.00169 -0.01034 89 5 Cu 1S -0.00704 -0.00043 0.00094 0.00041 -0.00467 90 2S -0.03563 0.06743 -0.10941 -0.04356 -0.07156 91 3S -0.16492 0.08439 -0.25410 0.03550 0.24818 92 4PX 0.04732 0.01580 -0.01256 -0.01732 0.01240 93 4PY -0.03832 -0.01109 0.02367 0.01823 -0.00006 94 4PZ 0.01571 -0.02296 0.04312 -0.01022 -0.03548 95 5PX -0.19573 -0.03471 0.07531 0.08124 -0.10632 96 5PY 0.16119 0.05494 -0.10054 -0.11431 0.05847 97 5PZ -0.05182 0.09198 -0.18298 0.07388 0.22556 98 6PX -0.30877 -0.04943 0.21636 0.30738 -0.08721 99 6PY 0.25352 0.12111 -0.13396 -0.38065 -0.12703 100 6PZ -0.10935 0.23682 -0.50378 0.09238 0.52199 101 7D 0 0.00379 0.02107 -0.00045 0.00554 0.00150 102 7D+1 -0.01614 0.03393 0.01698 -0.00509 -0.01164 103 7D-1 0.02725 0.01787 0.01968 0.00948 0.00805 104 7D+2 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7D+1 0.01412 0.00866 0.02983 -0.01542 0.00465 15 7D-1 -0.02153 0.01874 -0.02667 -0.00206 0.00771 16 7D+2 0.02988 0.00835 0.00628 -0.01623 -0.01218 17 7D-2 0.01867 0.01265 -0.01786 0.01257 0.01047 18 8D 0 -0.01327 0.00336 0.00502 0.00695 -0.00036 19 8D+1 0.00463 0.00714 0.00872 -0.00315 -0.00027 20 8D-1 -0.00687 0.00805 0.00057 0.00027 0.00370 21 8D+2 0.00972 0.00391 0.00217 -0.00380 0.00065 22 8D-2 0.00580 0.00559 0.00064 0.00145 0.00251 23 2 Cu 1S -0.00103 0.00027 0.00005 0.00150 0.00020 24 2S 0.16122 -0.09454 -0.00582 0.00482 0.02430 25 3S 2.26876 -1.34850 0.08473 -0.34231 0.10166 26 4PX -0.01174 0.00900 -0.01244 0.02197 0.00014 27 4PY 0.00132 -0.00799 0.03212 0.01354 -0.01810 28 4PZ -0.00894 -0.00301 0.02704 0.01926 0.01376 29 5PX -0.03870 0.02117 0.02372 -0.05430 0.01894 30 5PY -0.11309 0.09854 -0.21184 -0.07111 0.09607 31 5PZ 0.13826 -0.04931 -0.18002 -0.12895 -0.02501 32 6PX -0.52456 0.27434 0.92198 -1.43012 0.15695 33 6PY -0.49708 0.59531 -1.15491 -0.29639 0.16777 34 6PZ 0.86328 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54 6PX -0.85971 -0.28288 -1.27475 0.50447 -0.35331 55 6PY 0.67515 0.69661 -0.80480 0.46250 0.23454 56 6PZ 0.10736 0.06677 0.78539 1.59198 0.01653 57 7D 0 0.01670 -0.00203 -0.01442 -0.00682 -0.04536 58 7D+1 0.02625 -0.02138 -0.01706 0.02918 0.00471 59 7D-1 -0.00106 -0.03084 -0.02420 -0.00127 0.01194 60 7D+2 -0.00214 0.00302 -0.00072 -0.00042 0.00179 61 7D-2 0.00108 0.00784 0.01165 -0.00022 0.01045 62 8D 0 0.01034 0.00132 -0.00183 -0.00189 -0.01200 63 8D+1 0.01085 -0.00973 -0.00533 0.00320 0.00196 64 8D-1 -0.00224 -0.01521 -0.00184 0.00271 0.00184 65 8D+2 -0.00142 0.00196 -0.00250 0.00160 0.00040 66 8D-2 -0.00143 0.00266 0.00160 -0.00117 -0.00038 67 4 Cu 1S -0.00001 0.00013 -0.00134 0.00006 0.00272 68 2S -0.00049 0.00991 -0.00379 0.00015 -0.00285 69 3S -0.01667 0.27978 0.22277 -0.01169 0.95426 70 4PX -0.00265 -0.00052 0.00832 -0.00557 -0.02261 71 4PY 0.00036 0.00047 0.00474 0.00080 0.00169 72 4PZ 0.00195 -0.00075 0.01084 0.00343 -0.03131 73 5PX 0.00753 -0.01559 -0.06629 0.07325 0.22430 74 5PY -0.00341 0.03108 -0.10689 -0.00798 -0.18472 75 5PZ -0.00328 -0.03009 -0.07194 -0.04967 0.35307 76 6PX 0.93270 -0.40907 -0.17543 -0.02040 -0.73991 77 6PY -0.12704 -0.64757 0.34133 -0.02372 3.04131 78 6PZ -0.63441 -0.47634 -0.31901 0.04113 -1.77382 79 7D 0 0.01240 -0.00765 -0.01084 -0.01238 -0.00196 80 7D+1 0.00046 -0.04559 0.00084 0.00556 0.00313 81 7D-1 0.03184 -0.01617 -0.00538 0.00188 -0.00551 82 7D+2 -0.02040 0.01197 -0.01918 0.00590 -0.00730 83 7D-2 -0.04035 -0.02174 0.00215 -0.00536 -0.00113 84 8D 0 0.00172 -0.00353 -0.00164 -0.00105 0.00216 85 8D+1 0.00130 -0.01577 0.00109 0.00040 0.00651 86 8D-1 0.01107 -0.00561 -0.00405 0.00032 -0.01323 87 8D+2 -0.00570 0.00279 -0.00461 0.00062 -0.00510 88 8D-2 -0.01472 -0.00711 -0.00128 -0.00031 -0.00714 89 5 Cu 1S 0.00002 -0.00009 -0.00019 0.00106 -0.00290 90 2S -0.11495 -0.06795 -0.03800 -0.06331 -0.02376 91 3S -1.47846 -0.88975 -0.88638 -1.32891 -0.50461 92 4PX -0.00379 0.02097 -0.00140 0.02860 -0.01399 93 4PY -0.01490 0.00816 -0.02373 -0.01755 0.01746 94 4PZ 0.00340 0.00491 -0.01485 -0.01198 -0.00090 95 5PX 0.04487 0.00231 0.03327 -0.12703 0.10260 96 5PY -0.03691 -0.04853 0.10023 0.06422 -0.09496 97 5PZ -0.05679 -0.04280 0.02902 0.01584 -0.03651 98 6PX 0.12603 0.72020 -0.67303 0.89681 0.42326 99 6PY -0.46311 0.07955 -1.24135 -0.43813 -1.08973 100 6PZ -1.01149 -0.44326 0.53048 1.18392 1.06718 101 7D 0 0.00284 0.00833 0.01663 0.01675 0.03184 102 7D+1 0.00274 0.01575 0.00677 -0.02882 -0.02644 103 7D-1 -0.02362 0.00488 0.01792 0.02158 -0.00147 104 7D+2 0.02560 -0.04658 0.03746 -0.00468 -0.00168 105 7D-2 0.00139 0.02179 0.00150 0.03263 -0.00177 106 8D 0 0.00411 0.00381 0.00161 0.00298 0.00251 107 8D+1 0.00230 0.00657 0.00300 -0.00314 -0.00651 108 8D-1 -0.00973 0.00029 0.00151 0.00183 0.00383 109 8D+2 0.01055 -0.01492 0.00797 -0.00077 -0.00147 110 8D-2 0.00452 0.00980 0.00142 0.00818 -0.00120 111 6 Cu 1S 0.00005 -0.00163 0.00196 -0.00006 -0.00039 112 2S -0.00386 0.19381 0.00384 -0.00004 0.06662 113 3S -0.05519 2.78629 -0.39907 0.00824 0.77886 114 4PX 0.00515 -0.00065 -0.00772 -0.03936 0.01951 115 4PY -0.00107 0.01613 -0.02249 0.00636 -0.01103 116 4PZ -0.00355 -0.00449 -0.00465 0.02784 0.03054 117 5PX -0.02420 0.12058 0.00308 0.23452 -0.06754 118 5PY 0.00403 -0.02704 0.05103 -0.03703 0.05696 119 5PZ 0.01217 0.17802 -0.01587 -0.16463 -0.11252 120 6PX -0.12816 0.72729 0.13992 1.32703 -0.09142 121 6PY 0.02011 0.00175 1.88720 -0.21857 -0.33916 122 6PZ 0.06394 1.02603 -0.24914 -0.92722 -0.05683 123 7D 0 -0.00478 0.00585 -0.01218 -0.00650 0.02229 124 7D+1 0.00542 0.00277 -0.00087 0.00611 -0.00071 125 7D-1 0.02202 0.01712 0.01891 0.01869 -0.00248 126 7D+2 -0.00760 0.01301 -0.01363 -0.00475 0.03669 127 7D-2 -0.03212 0.00757 0.01728 -0.02857 -0.01346 128 8D 0 -0.00053 0.00266 -0.00253 -0.00293 0.00685 129 8D+1 0.00187 -0.00123 -0.00131 0.00182 0.00286 130 8D-1 0.01032 0.01027 -0.00070 0.00310 0.00112 131 8D+2 -0.00448 0.00817 -0.00341 0.00024 0.00985 132 8D-2 -0.01473 0.00417 0.00038 -0.00522 -0.00199 133 7 Cu 1S -0.00003 -0.00008 -0.00025 -0.00100 -0.00293 134 2S 0.11838 -0.06347 -0.03639 0.06412 -0.02141 135 3S 1.51729 -0.83102 -0.84700 1.35628 -0.46319 136 4PX -0.00132 -0.00051 -0.01739 0.02436 0.00824 137 4PY 0.01508 0.01202 -0.02076 0.00993 0.01431 138 4PZ -0.00052 0.01989 -0.00401 -0.02446 -0.01595 139 5PX 0.07612 -0.04693 0.03464 -0.06856 -0.09044 140 5PY 0.02116 -0.03940 0.09807 -0.03632 -0.06623 141 5PZ -0.02728 -0.00631 0.03135 0.11995 0.09585 142 6PX 1.09669 -0.58231 0.43664 -0.75488 0.65040 143 6PY 0.26988 0.29292 -1.40283 0.46349 -1.12302 144 6PZ 0.14513 0.50291 -0.30095 -1.31843 0.92914 145 7D 0 -0.01959 -0.03387 0.02496 0.03358 -0.02544 146 7D+1 0.00000 0.03342 0.00384 0.00439 -0.00126 147 7D-1 -0.00086 0.00392 0.01703 -0.03527 -0.00408 148 7D+2 -0.00469 -0.02482 0.03322 -0.01731 0.02965 149 7D-2 0.02702 0.01319 0.00337 -0.00073 -0.01358 150 8D 0 -0.00701 -0.01099 0.00669 0.00509 -0.00553 151 8D+1 -0.00342 0.01310 0.00123 -0.00125 -0.00355 152 8D-1 -0.00354 0.00295 0.00382 -0.00757 -0.00010 153 8D+2 -0.00277 -0.00871 0.00426 -0.00118 0.00452 154 8D-2 0.01270 0.00262 -0.00070 0.00175 0.00200 155 8 C 1S 0.00003 -0.00006 -0.00487 0.00025 0.00043 156 2S -0.00010 0.00061 0.01915 -0.00105 0.02017 157 3S -0.00058 0.00192 0.00042 0.00033 -0.00859 158 4PX 0.02485 -0.01339 0.07567 -0.11333 0.00590 159 4PY -0.00378 -0.00919 0.05675 0.01802 0.05336 160 4PZ -0.01629 -0.01817 0.10028 0.07603 -0.00555 161 5PX 0.02401 -0.01538 0.07820 -0.09960 0.06918 162 5PY -0.00449 0.01080 0.03829 0.01656 -0.16757 163 5PZ -0.01470 -0.02514 0.10729 0.06542 0.13701 164 9 O 1S 0.00003 -0.00086 0.00849 -0.00041 -0.02995 165 2S -0.00012 0.00216 -0.02390 0.00112 0.09338 166 3S -0.00030 0.00974 -0.04617 0.00235 0.11097 167 4PX -0.01887 0.00571 0.00173 -0.01048 0.02212 168 4PY 0.00270 0.00883 0.00559 0.00149 -0.00316 169 4PZ 0.01286 0.00673 0.00152 0.00735 0.03054 170 5PX -0.01795 0.00763 -0.02218 0.02590 0.00218 171 5PY 0.00268 0.00875 -0.01563 -0.00427 -0.05427 172 5PZ 0.01190 0.00948 -0.02974 -0.01729 0.01654 96 97 98 99 100 V V V V V EIGENVALUES -- 0.06109 0.06305 0.07152 0.07259 0.08305 1 1 Cu 1S 0.00163 -0.00003 0.00212 0.00010 0.00000 2 2S -0.02239 -0.00039 -0.00859 -0.00035 0.00118 3 3S -0.55512 0.00444 -0.39352 -0.01302 0.03318 4 4PX -0.00314 -0.01569 0.03836 0.02088 -0.00860 5 4PY 0.04473 0.00218 0.05175 -0.00078 0.00171 6 4PZ -0.01436 0.01080 0.04540 -0.01153 0.00628 7 5PX 0.04720 0.13717 -0.17780 -0.09605 0.04361 8 5PY -0.27312 -0.02120 -0.27947 0.00174 -0.00950 9 5PZ 0.12810 -0.09535 -0.20169 0.05275 -0.03148 10 6PX -0.93577 -1.21196 0.57514 -0.30166 2.28181 11 6PY 2.38375 0.19796 0.54363 0.07899 -0.30165 12 6PZ -1.86479 0.82494 0.69246 0.24984 -1.58346 13 7D 0 0.03337 -0.00148 -0.00022 0.00312 0.00184 14 7D+1 0.01801 -0.00310 -0.00815 -0.00331 0.00007 15 7D-1 0.00998 -0.02719 -0.01548 -0.01138 0.00847 16 7D+2 0.04602 0.01330 0.00083 0.00319 -0.00435 17 7D-2 -0.00552 0.03782 -0.01312 0.01527 -0.01206 18 8D 0 0.00496 0.00125 -0.00072 0.00632 -0.00128 19 8D+1 0.00138 -0.00102 -0.00639 -0.00324 0.00051 20 8D-1 -0.00134 -0.00376 -0.00628 -0.00169 -0.00021 21 8D+2 0.00695 0.00100 0.00191 -0.00260 0.00072 22 8D-2 -0.00301 0.00556 -0.00592 0.00335 -0.00014 23 2 Cu 1S -0.00067 0.00057 0.00077 0.00223 0.00015 24 2S -0.02343 -0.06423 -0.00584 -0.00222 0.03338 25 3S -0.33845 -1.14423 -0.21145 -0.37140 0.94762 26 4PX -0.00863 -0.00730 0.00533 0.01271 0.00867 27 4PY 0.02253 0.01490 -0.02329 0.04550 0.00632 28 4PZ 0.00652 -0.02919 -0.04664 -0.00602 -0.00368 29 5PX 0.07911 0.10260 0.00146 -0.01221 -0.04122 30 5PY -0.07571 -0.09665 0.19910 -0.24413 -0.05044 31 5PZ 0.01680 0.11192 0.27976 -0.01961 0.03983 32 6PX -0.25169 -0.10957 1.10569 2.14774 -4.54258 33 6PY -0.99945 1.43125 -0.29272 -0.38708 2.48846 34 6PZ -1.27379 -0.32505 0.15853 -0.00911 -0.68509 35 7D 0 -0.01627 0.00274 -0.05438 0.01876 -0.00408 36 7D+1 -0.01605 -0.01219 0.00855 -0.00402 -0.01882 37 7D-1 0.01040 0.03361 -0.00495 0.00352 0.00744 38 7D+2 -0.00095 0.00820 -0.02382 0.02269 0.04111 39 7D-2 0.00080 0.02012 0.00654 -0.00296 0.00006 40 8D 0 -0.00133 0.00105 -0.00923 0.00178 0.00174 41 8D+1 -0.00286 0.00020 0.00359 -0.00033 -0.00280 42 8D-1 0.00286 0.00554 -0.00002 0.00011 0.00132 43 8D+2 -0.00165 -0.00011 -0.00243 0.00601 0.00453 44 8D-2 -0.00122 0.00234 0.00127 -0.00206 0.00046 45 3 Cu 1S -0.00064 -0.00067 0.00095 -0.00216 -0.00014 46 2S -0.02393 0.06441 -0.00632 0.00187 -0.03221 47 3S -0.34861 1.14753 -0.24288 0.35274 -0.91709 48 4PX 0.01310 0.02253 -0.04917 -0.00363 0.00491 49 4PY 0.01950 -0.01708 -0.01076 -0.04868 -0.00869 50 4PZ -0.00896 0.01885 -0.00761 -0.00394 -0.00646 51 5PX -0.02536 -0.05628 0.29060 0.08718 -0.03918 52 5PY -0.06222 0.08773 0.13247 0.24972 0.06378 53 5PZ 0.09126 -0.14606 0.07145 -0.01062 0.02178 54 6PX -1.26801 -0.00558 -0.32880 0.74558 -1.39656 55 6PY -0.80068 -1.43350 -0.08680 -0.07485 -1.63287 56 6PZ -0.55471 0.42332 1.27448 -1.93219 4.65249 57 7D 0 -0.00573 0.00910 0.00448 -0.00826 -0.01881 58 7D+1 -0.02161 0.00688 -0.01598 -0.00203 0.02719 59 7D-1 0.00690 -0.03280 0.00066 -0.00463 -0.01627 60 7D+2 -0.00413 -0.01437 -0.05403 -0.03226 -0.02571 61 7D-2 0.00924 -0.01881 0.01363 0.00819 0.00786 62 8D 0 -0.00240 0.00123 0.00324 -0.00378 -0.00085 63 8D+1 -0.00290 -0.00106 -0.00167 0.00114 0.00220 64 8D-1 -0.00029 -0.00389 0.00083 0.00007 -0.00222 65 8D+2 0.00032 -0.00179 -0.00878 -0.00561 -0.00479 66 8D-2 0.00296 -0.00405 0.00305 0.00171 0.00121 67 4 Cu 1S 0.00272 0.00012 -0.00054 -0.00006 0.00002 68 2S 0.02132 0.00119 0.00835 0.00073 0.00063 69 3S -0.47111 -0.01542 -0.25382 -0.01555 0.00298 70 4PX -0.02666 -0.04960 -0.02248 -0.04820 -0.01820 71 4PY -0.03278 0.00784 -0.04112 0.00546 0.00246 72 4PZ -0.03181 0.03434 -0.02746 0.03200 0.01233 73 5PX 0.11923 0.27764 0.13113 0.35576 0.09736 74 5PY 0.25047 -0.04100 0.36284 -0.03569 -0.01384 75 5PZ 0.11993 -0.19550 0.13969 -0.24245 -0.06547 76 6PX 2.61080 3.68152 -0.49440 -1.85201 0.71925 77 6PY 2.92487 -0.58123 -1.81736 0.18917 -0.07498 78 6PZ 3.15399 -2.53810 -0.48465 1.28368 -0.48923 79 7D 0 0.01102 -0.01402 0.03684 -0.05048 -0.02013 80 7D+1 0.01158 0.00811 0.00467 0.02270 0.00893 81 7D-1 0.00387 0.01189 0.00404 -0.00073 -0.00098 82 7D+2 0.01103 0.00182 0.05355 0.03000 0.01156 83 7D-2 0.00058 -0.02023 -0.01314 -0.01289 -0.00443 84 8D 0 0.00261 -0.00349 0.00652 -0.00876 -0.00598 85 8D+1 0.00001 0.00174 -0.00154 0.00383 0.00262 86 8D-1 0.00566 0.00187 0.00310 0.00017 -0.00046 87 8D+2 0.00602 0.00112 0.01177 0.00525 0.00344 88 8D-2 0.00212 -0.00318 -0.00161 -0.00230 -0.00115 89 5 Cu 1S -0.00056 0.00210 -0.00061 0.00152 -0.00011 90 2S -0.00775 -0.00685 0.00110 -0.00798 0.05678 91 3S 0.40158 -0.71534 0.33378 -0.47928 1.54609 92 4PX -0.01230 -0.00685 -0.00791 0.04297 -0.00412 93 4PY -0.01987 0.00193 0.03452 -0.03590 -0.00643 94 4PZ 0.02683 -0.04976 0.02897 -0.04059 -0.01295 95 5PX 0.08012 0.07973 0.03972 -0.19346 0.02735 96 5PY 0.14065 -0.02183 -0.14855 0.16410 0.02836 97 5PZ -0.10359 0.27101 -0.13368 0.20824 0.10131 98 6PX -0.76153 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-0.22660 -0.84567 1.38427 -1.11228 48 4PX 0.04418 -0.01602 -0.01813 0.02333 -0.00032 49 4PY 0.01607 0.01415 0.02233 -0.04145 -0.03018 50 4PZ 0.00674 -0.00462 -0.02421 0.03684 0.04783 51 5PX -0.30101 0.13664 0.14999 -0.13201 0.01373 52 5PY -0.12553 -0.05795 -0.14242 0.29904 0.43312 53 5PZ -0.05274 0.03346 0.21511 -0.32111 -0.80156 54 6PX 4.05267 -2.71262 -0.10982 1.29986 -0.04018 55 6PY 2.40216 -0.96226 1.03822 -0.76804 0.29063 56 6PZ 0.84082 -0.44305 -0.11716 0.15702 1.09594 57 7D 0 0.00307 0.02597 -0.00824 0.01331 0.05365 58 7D+1 0.04795 0.02507 -0.00328 0.00140 0.01872 59 7D-1 0.04667 -0.00663 0.00364 0.00345 0.06243 60 7D+2 0.00355 -0.02490 0.00307 0.02358 0.01000 61 7D-2 0.00610 -0.02224 -0.02959 0.05280 -0.06001 62 8D 0 0.00129 0.00743 -0.00036 0.00015 0.01485 63 8D+1 0.01295 0.00915 0.00113 0.00030 0.00330 64 8D-1 0.01336 0.00116 0.00008 0.00296 0.01936 65 8D+2 -0.00353 -0.00301 0.00060 0.00576 -0.00447 66 8D-2 0.00297 -0.00805 -0.00858 0.01475 -0.01865 67 4 Cu 1S 0.00121 -0.00258 0.00008 -0.00004 0.01917 68 2S 0.04124 -0.08774 0.00957 0.00015 0.21327 69 3S 0.12226 -0.25994 0.41230 0.03339 1.48744 70 4PX -0.00971 0.01250 0.01168 0.01471 -0.02980 71 4PY -0.00282 0.00751 0.00819 -0.00238 0.01134 72 4PZ -0.00639 0.01959 0.01522 -0.00951 -0.04380 73 5PX 0.08135 -0.07591 -0.01351 0.02259 0.30917 74 5PY 0.04024 -0.10312 -0.02040 -0.00652 0.20700 75 5PZ 0.02498 -0.12478 -0.01427 -0.01527 0.36664 76 6PX -1.54996 3.32385 -0.19544 -0.63208 -0.75389 77 6PY -3.28763 6.99695 -0.25281 0.10467 -0.34702 78 6PZ -1.46352 3.10260 -0.23862 0.43978 -0.94946 79 7D 0 0.00047 -0.00508 0.01218 0.02438 -0.02337 80 7D+1 0.00947 -0.01776 0.07838 -0.00196 0.01126 81 7D-1 -0.02382 0.05511 0.02069 0.04790 -0.04327 82 7D+2 -0.01051 0.02235 -0.02514 -0.03401 -0.06415 83 7D-2 -0.01644 0.02786 0.03271 -0.06083 -0.00873 84 8D 0 0.00064 -0.00030 0.00341 0.00477 -0.00315 85 8D+1 0.00219 -0.00489 0.01971 0.00040 0.00416 86 8D-1 -0.00683 0.01614 0.00282 0.01277 -0.01443 87 8D+2 -0.00401 0.00732 -0.00657 -0.00840 -0.01331 88 8D-2 -0.00464 0.00795 0.00658 -0.01713 -0.00545 89 5 Cu 1S 0.00017 0.00150 0.00068 -0.00314 0.00241 90 2S -0.00837 0.03378 -0.00369 -0.00459 0.01016 91 3S -0.26507 0.45635 -0.33439 0.26083 0.95257 92 4PX 0.05157 0.04383 -0.05983 -0.02038 -0.01253 93 4PY 0.03957 0.01731 -0.01717 -0.05272 -0.06136 94 4PZ -0.00035 0.01592 -0.04646 0.06278 0.01650 95 5PX -0.38241 -0.35251 0.54762 0.18548 0.12106 96 5PY -0.32058 -0.12853 0.15981 0.46652 0.99398 97 5PZ -0.01130 -0.12277 0.39645 -0.58274 -0.09506 98 6PX 0.61038 -0.86546 -0.49812 -0.03208 -0.79949 99 6PY 1.24842 -2.36816 0.04474 -0.89268 -0.62304 100 6PZ -0.95451 2.02403 -0.84269 1.40893 0.02766 101 7D 0 -0.00492 0.00649 -0.00393 -0.00573 -0.04182 102 7D+1 -0.00319 0.00024 -0.01776 0.00878 -0.00930 103 7D-1 0.00987 -0.01890 0.00013 -0.01851 0.03268 104 7D+2 -0.00361 -0.01634 -0.00324 -0.00549 -0.06245 105 7D-2 0.00218 0.00972 0.00113 -0.00054 -0.01002 106 8D 0 0.00021 -0.00151 -0.00092 -0.00274 -0.00265 107 8D+1 -0.00042 0.00177 -0.00267 0.00079 -0.00319 108 8D-1 0.00238 -0.00279 -0.00067 -0.00458 0.01019 109 8D+2 -0.00342 -0.00832 0.00012 0.00037 -0.01363 110 8D-2 0.00248 0.00139 -0.00082 -0.00015 -0.00360 111 6 Cu 1S -0.00077 0.00166 0.00451 0.00007 -0.00130 112 2S -0.00045 0.00084 0.08848 0.00095 -0.03773 113 3S 0.11420 -0.25024 1.69210 0.01881 -1.18015 114 4PX -0.02477 -0.02902 0.03275 -0.00002 0.01179 115 4PY -0.00340 0.01943 -0.03735 -0.00035 0.06639 116 4PZ 0.03314 -0.01334 0.05455 0.00098 0.00396 117 5PX 0.17286 0.20821 -0.21343 0.02226 -0.21609 118 5PY 0.01571 -0.12019 0.31822 -0.00009 -0.84580 119 5PZ -0.23437 0.09501 -0.37130 -0.02170 -0.14706 120 6PX -2.41792 -0.79725 1.01503 0.57923 -0.03983 121 6PY 0.28705 0.30582 -0.26343 -0.08628 2.25403 122 6PZ 1.40865 1.17129 1.49970 -0.38086 -0.55614 123 7D 0 0.00664 -0.00028 -0.02966 -0.00998 0.01464 124 7D+1 -0.01196 0.00634 -0.06300 0.00219 0.03152 125 7D-1 -0.03339 -0.01671 -0.00101 -0.00550 -0.03039 126 7D+2 0.01731 -0.00632 -0.00734 0.00761 -0.00511 127 7D-2 0.04642 0.02689 -0.00540 0.00576 -0.02138 128 8D 0 -0.00052 -0.00252 -0.00687 -0.00164 0.00665 129 8D+1 -0.00183 0.00143 -0.01893 0.00021 0.01233 130 8D-1 -0.01102 -0.00359 0.00334 -0.00101 -0.01360 131 8D+2 0.00708 -0.00151 0.00227 0.00140 -0.00146 132 8D-2 0.01297 0.00893 -0.00037 0.00123 -0.00931 133 7 Cu 1S -0.00119 0.00074 0.00064 0.00313 0.00312 134 2S -0.02028 0.02748 -0.00341 0.00496 0.01405 135 3S -0.19014 0.50689 -0.32759 -0.28642 0.97446 136 4PX 0.00199 0.00978 -0.02644 -0.05522 0.00569 137 4PY -0.04921 -0.02247 -0.02372 0.06392 -0.06316 138 4PZ -0.06050 -0.00450 -0.06902 -0.01227 0.00530 139 5PX -0.00758 -0.05433 0.21545 0.51137 0.09007 140 5PY 0.38404 0.18156 0.22253 -0.57044 0.98637 141 5PZ 0.47014 0.01683 0.62149 0.11328 -0.10011 142 6PX -0.77341 1.73128 -0.58980 -1.15905 0.13413 143 6PY 1.18222 -2.89760 0.03430 1.06560 -0.72683 144 6PZ -0.24197 0.13941 -0.75189 -0.60609 -0.60180 145 7D 0 0.01375 -0.00574 -0.01104 -0.00472 -0.03615 146 7D+1 -0.00607 0.01079 -0.01414 -0.00604 -0.01903 147 7D-1 0.00010 -0.00615 0.00125 0.00863 -0.01723 148 7D+2 0.01019 -0.00601 -0.00012 0.01480 -0.04299 149 7D-2 0.00659 -0.01712 -0.00287 0.01112 0.05292 150 8D 0 0.00590 -0.00019 -0.00079 -0.00199 -0.01043 151 8D+1 -0.00317 0.00122 -0.00267 0.00064 -0.00235 152 8D-1 0.00075 -0.00313 -0.00069 0.00137 -0.00385 153 8D+2 0.00602 -0.00334 0.00008 0.00331 -0.00305 154 8D-2 -0.00141 -0.00163 -0.00094 0.00327 0.01338 155 8 C 1S 0.00985 -0.02097 0.00225 0.00023 0.05024 156 2S -0.01734 0.03686 -0.01106 -0.00097 -0.10119 157 3S -0.15636 0.33324 0.00878 -0.00087 -0.75776 158 4PX 0.02502 -0.06146 0.04339 0.10619 -0.02925 159 4PY -0.00625 0.01465 0.02468 -0.01701 -0.06337 160 4PZ 0.04324 -0.08619 0.05798 -0.07108 -0.02432 161 5PX 0.01763 -0.06352 0.03676 0.03582 -0.02258 162 5PY 0.06544 -0.13492 -0.09285 -0.01358 0.17274 163 5PZ 0.03057 -0.04684 0.07397 -0.01580 -0.07523 164 9 O 1S 0.00420 -0.00895 0.00153 0.00006 -0.02073 165 2S -0.01491 0.03181 0.00225 0.00016 0.03935 166 3S 0.00174 -0.00403 -0.05552 -0.00358 0.28094 167 4PX 0.00582 -0.01010 -0.01481 -0.05701 0.02306 168 4PY 0.03010 -0.06461 -0.02590 0.00789 0.10737 169 4PZ 0.00078 -0.00359 -0.01585 0.03935 0.00542 170 5PX -0.00501 0.02165 -0.01468 -0.04480 -0.00085 171 5PY 0.02817 -0.06174 -0.01787 0.00629 0.11934 172 5PZ -0.02240 0.04024 -0.01626 0.02912 -0.03161 111 112 113 114 115 V V V V V EIGENVALUES -- 0.19589 0.20055 0.21796 0.23679 0.24607 1 1 Cu 1S -0.00036 -0.00002 0.00923 -0.00010 -0.00017 2 2S -0.00182 0.00774 0.06171 -0.00039 -0.00082 3 3S -0.00676 1.17641 -1.03048 0.04415 0.01506 4 4PX 0.06156 0.03395 0.00149 -0.02768 -0.02047 5 4PY -0.01020 -0.03786 0.03151 0.00373 0.00312 6 4PZ -0.04304 0.05466 -0.00394 0.02064 0.01441 7 5PX -0.91867 -0.63581 0.05035 0.60263 0.69201 8 5PY 0.14989 0.45484 -0.48132 -0.08393 -0.10714 9 5PZ 0.64106 -0.97646 0.16231 -0.45329 -0.49237 10 6PX 1.59344 0.40768 0.06651 -0.36474 -1.53016 11 6PY -0.25526 -0.90246 0.92306 0.03376 0.22900 12 6PZ -1.11575 0.72023 -0.08313 0.26035 1.07379 13 7D 0 -0.07000 0.05180 -0.04538 0.03242 0.09262 14 7D+1 0.02472 0.05883 -0.00587 -0.00600 -0.04120 15 7D-1 -0.02782 0.02632 0.01820 0.04602 -0.00680 16 7D+2 0.05110 0.05680 -0.06696 -0.03356 -0.04555 17 7D-2 0.02237 0.00854 0.03195 -0.05530 0.03369 18 8D 0 -0.01593 0.01131 -0.00636 0.01658 0.02760 19 8D+1 0.00597 0.01381 -0.00233 -0.00638 -0.01047 20 8D-1 -0.00606 0.00893 0.01378 0.00267 0.00972 21 8D+2 0.01101 0.01279 -0.00495 -0.00947 -0.01839 22 8D-2 0.00409 0.00401 0.01086 0.00037 -0.00602 23 2 Cu 1S 0.00573 -0.00414 0.01173 0.00297 -0.00274 24 2S 0.02374 -0.06178 0.02899 -0.01248 -0.00102 25 3S 0.26257 -1.49849 -0.18078 -1.66688 0.74584 26 4PX -0.08278 -0.02938 0.00468 -0.03231 0.00972 27 4PY 0.01062 0.01313 -0.01826 0.03827 0.06358 28 4PZ -0.03502 0.02827 -0.02221 0.02585 0.06119 29 5PX 1.14339 0.30302 -0.09555 0.73541 -0.22415 30 5PY -0.11437 -0.11892 0.10331 -0.62862 -1.37287 31 5PZ 0.45079 -0.48520 0.44380 -0.42856 -1.26017 32 6PX -2.47002 -0.82871 -0.06368 -0.77932 0.27906 33 6PY 0.43030 0.90333 -0.44639 1.72449 2.52275 34 6PZ -0.56146 -0.20835 -0.85502 0.32569 2.86869 35 7D 0 0.05136 -0.03716 0.01630 0.01092 -0.06528 36 7D+1 0.06189 -0.04085 -0.00481 0.02163 0.03217 37 7D-1 0.01099 -0.03930 -0.03632 -0.06662 0.00903 38 7D+2 -0.03319 -0.00168 -0.00349 -0.04980 -0.02794 39 7D-2 0.01071 -0.03971 0.02923 -0.00619 0.03843 40 8D 0 0.01355 -0.01042 0.00975 -0.00113 -0.02764 41 8D+1 0.01973 -0.01397 -0.00308 0.00924 0.01022 42 8D-1 0.00230 -0.01630 -0.01686 -0.01703 0.00197 43 8D+2 -0.01105 0.00027 0.00034 -0.01595 -0.01298 44 8D-2 0.00286 -0.01078 0.00950 0.00092 0.01336 45 3 Cu 1S -0.00640 -0.00412 0.01172 -0.00363 0.00307 46 2S -0.02781 -0.06160 0.02942 0.00804 0.00259 47 3S -0.30051 -1.50301 -0.17331 1.60294 -0.75434 48 4PX 0.00326 0.03881 -0.02636 -0.04003 -0.06615 49 4PY -0.00046 0.00385 -0.01425 -0.02723 -0.05454 50 4PZ 0.09419 -0.01758 -0.00092 0.02668 -0.02160 51 5PX -0.01894 -0.57829 0.46209 0.72133 1.36314 52 5PY -0.02991 -0.00011 0.03155 0.40708 1.18927 53 5PZ -1.29247 0.10916 0.04826 -0.63506 0.45873 54 6PX -0.36560 0.25969 -0.89125 -0.88110 -3.07147 55 6PY 0.00175 0.76543 -0.37054 -1.44770 -2.09152 56 6PZ 2.63526 -0.92078 -0.25699 0.85244 -0.91776 57 7D 0 0.01250 -0.00037 -0.01328 0.02167 -0.00957 58 7D+1 -0.08372 -0.05902 0.01503 -0.03991 -0.00347 59 7D-1 0.01062 -0.04387 0.01107 0.04752 -0.03170 60 7D+2 -0.00447 -0.01981 -0.00749 0.04149 0.07648 61 7D-2 -0.02125 -0.02519 -0.04219 0.04108 -0.02680 62 8D 0 0.00302 -0.00076 -0.00521 0.00510 -0.00204 63 8D+1 -0.02544 -0.01828 0.00614 -0.01238 0.00119 64 8D-1 0.00430 -0.01356 0.00213 0.01086 -0.01019 65 8D+2 0.00054 -0.00644 0.00045 0.01625 0.03177 66 8D-2 -0.00653 -0.01243 -0.01957 0.00871 -0.01005 67 4 Cu 1S 0.00037 0.00701 -0.04769 0.00072 -0.00023 68 2S 0.00426 0.14366 -0.27051 0.00538 -0.00154 69 3S 0.03409 3.01176 5.15736 -0.01459 0.00623 70 4PX -0.00171 -0.01991 0.03752 0.10788 -0.01735 71 4PY 0.00014 0.00577 0.02456 -0.01728 0.00249 72 4PZ -0.00018 -0.02800 0.04540 -0.07726 0.01212 73 5PX -0.05857 0.24739 -0.04984 -1.93046 0.36368 74 5PY 0.01769 -0.17097 -2.01557 0.32426 -0.06032 75 5PZ 0.05439 0.37076 0.44603 1.35558 -0.24919 76 6PX -0.36403 -1.07413 -0.07639 2.02584 -0.27425 77 6PY 0.05252 0.27585 3.13566 -0.33516 0.04022 78 6PZ 0.22713 -1.53365 -0.91883 -1.43561 0.18327 79 7D 0 -0.02588 0.00942 0.03177 -0.06302 0.01029 80 7D+1 0.01192 0.02303 0.02001 0.02228 -0.00337 81 7D-1 0.00330 -0.05379 -0.03818 -0.03286 0.00662 82 7D+2 0.00952 -0.01832 0.03119 0.04588 -0.00815 83 7D-2 -0.01248 -0.03018 -0.03459 0.02819 -0.00616 84 8D 0 -0.00349 0.00244 0.00660 -0.01974 0.00341 85 8D+1 0.00190 0.01265 0.02387 0.00704 -0.00100 86 8D-1 0.00165 -0.03011 -0.06484 -0.00737 0.00312 87 8D+2 0.00057 -0.01452 -0.02509 0.01378 -0.00333 88 8D-2 -0.00370 -0.01548 -0.03496 0.00567 -0.00381 89 5 Cu 1S 0.00641 -0.00538 -0.00201 0.00336 0.00155 90 2S 0.03586 -0.01521 0.02276 0.04265 -0.00215 91 3S 0.54925 0.31701 -1.43832 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0.54321 1 1 Cu 1S 0.00052 0.00112 -0.00024 0.02464 -0.01122 2 2S 0.01155 0.00360 -0.00168 0.03004 -0.01910 3 3S 0.33314 -0.65066 -0.02652 -2.00252 -0.34222 4 4PX -0.00225 0.00292 -0.00706 -0.00428 -0.00338 5 4PY 0.00423 -0.02138 0.00027 -0.01033 0.00142 6 4PZ 0.00635 0.00840 0.00472 -0.00377 -0.00520 7 5PX 0.54531 0.08118 0.35066 0.16175 -0.00842 8 5PY -0.18125 -0.44846 -0.05242 0.53417 0.10756 9 5PZ -0.54337 0.24919 -0.23019 0.11344 -0.03483 10 6PX 0.08339 0.32573 -0.62690 -0.32979 0.04450 11 6PY -0.01149 0.35515 0.09365 0.81067 0.04530 12 6PZ -0.13717 0.36096 0.46506 -0.65797 0.05144 13 7D 0 0.05463 -0.02057 0.03648 0.02055 -0.01913 14 7D+1 -0.02425 0.01413 -0.01503 0.02491 -0.01408 15 7D-1 -0.00153 -0.00077 0.00542 0.00184 -0.00585 16 7D+2 -0.02990 -0.04095 -0.02211 0.01725 -0.02394 17 7D-2 0.01055 0.01307 0.00235 -0.00180 0.00143 18 8D 0 0.02050 -0.02923 -0.00512 -0.00608 0.03003 19 8D+1 -0.00493 -0.01579 0.00209 -0.02124 0.02405 20 8D-1 0.01424 -0.00367 0.00240 0.00202 0.01878 21 8D+2 -0.01446 -0.03736 0.00048 0.00543 0.03907 22 8D-2 -0.01021 0.00821 -0.00501 -0.00231 0.00421 23 2 Cu 1S -0.01641 -0.00576 -0.00339 -0.00473 0.03150 24 2S -0.22105 0.13961 -0.09078 -0.00433 0.04457 25 3S -6.62557 6.63667 -3.84011 0.03988 -0.39322 26 4PX -0.06578 0.03382 -0.01066 0.00238 -0.00546 27 4PY -0.03333 0.04857 -0.03037 0.00036 0.00093 28 4PZ 0.06884 -0.04212 0.02889 0.00480 0.00208 29 5PX 2.09803 -0.57820 0.53283 0.29680 0.00675 30 5PY 0.36960 -2.37263 0.67989 -0.02229 0.09261 31 5PZ -2.07363 1.23779 -0.82336 0.21826 -0.14551 32 6PX 0.64112 -0.58999 0.37902 0.15710 0.00660 33 6PY 0.35526 -0.61184 0.67764 -0.55707 0.14825 34 6PZ -0.71252 0.31695 -0.34891 -0.62160 0.28304 35 7D 0 -0.03444 0.01747 0.00556 0.00182 0.00163 36 7D+1 0.06829 -0.01002 0.02456 -0.01497 0.04195 37 7D-1 0.00083 -0.07119 0.01887 0.00137 0.01703 38 7D+2 -0.06216 -0.08456 0.01567 -0.03456 -0.00804 39 7D-2 -0.00541 0.05316 0.00635 -0.02548 -0.03137 40 8D 0 -0.00758 -0.00442 -0.00570 0.01683 -0.00960 41 8D+1 0.02931 0.00636 0.00367 0.00786 -0.04722 42 8D-1 0.00535 -0.02525 -0.00933 -0.00653 -0.00939 43 8D+2 -0.01867 -0.02639 -0.00982 0.00292 0.02479 44 8D-2 -0.01153 0.00549 -0.00768 0.00044 0.03760 45 3 Cu 1S 0.01764 -0.00539 0.00309 -0.00444 0.03157 46 2S 0.23454 0.13213 0.09488 -0.00362 0.04455 47 3S 7.02117 6.19483 4.02773 0.01618 -0.40616 48 4PX -0.07620 -0.03694 -0.02538 0.00366 0.00391 49 4PY 0.06379 0.05642 0.03695 0.00000 -0.00058 50 4PZ 0.03730 0.00901 -0.00468 0.00390 -0.00457 51 5PX 2.31675 0.73890 0.82554 0.09799 -0.11812 52 5PY -1.37804 -2.50088 -0.94644 0.01278 0.11470 53 5PZ -1.43355 0.27184 -0.08132 0.35531 -0.05681 54 6PX 0.72712 0.31027 0.33914 -0.73617 0.28369 55 6PY -0.70158 -0.70541 -0.78392 -0.41604 0.11023 56 6PZ -0.35505 -0.31212 -0.13595 0.01819 0.07831 57 7D 0 0.00328 -0.07715 -0.02305 -0.02811 0.02307 58 7D+1 -0.05199 0.04291 -0.01549 -0.00714 0.02597 59 7D-1 0.03828 -0.00750 -0.01727 -0.03190 -0.02614 60 7D+2 0.05345 -0.06327 -0.01062 -0.00404 -0.00053 61 7D-2 -0.03677 -0.05815 -0.01656 0.01347 0.03462 62 8D 0 -0.00633 -0.01231 0.00039 0.00169 -0.01362 63 8D+1 -0.02272 0.01302 -0.00091 0.01518 -0.03778 64 8D-1 0.02076 -0.01374 0.01274 -0.00322 0.04077 65 8D+2 0.01193 -0.02787 0.01024 0.00906 0.00512 66 8D-2 -0.02067 -0.01335 0.00154 -0.00837 -0.03371 67 4 Cu 1S 0.00087 0.00874 0.00053 0.00669 -0.07192 68 2S 0.00721 -0.02582 0.00309 0.05588 -0.20815 69 3S 0.03938 -2.88733 0.01177 0.22972 3.33499 70 4PX -0.04334 -0.02377 -0.01131 -0.02395 0.01402 71 4PY 0.00848 0.13509 0.00407 0.01280 -0.03076 72 4PZ 0.03821 -0.06593 0.00647 -0.03783 0.02682 73 5PX 1.60890 0.53521 0.82157 0.78127 -0.01947 74 5PY -0.32097 -4.28210 -0.18393 0.17052 -0.10396 75 5PZ -1.38964 1.81940 -0.55230 1.10485 -0.00074 76 6PX -0.31998 -0.29044 2.40532 1.72617 -0.27208 77 6PY 0.10371 -1.59283 -0.43056 2.42806 -0.72261 78 6PZ 0.25507 0.00802 -1.71986 1.99382 -0.21423 79 7D 0 0.09818 0.01109 -0.01045 0.00708 -0.03113 80 7D+1 -0.03955 0.00646 0.00282 0.00506 -0.08852 81 7D-1 -0.02250 -0.00798 -0.01342 -0.03015 0.13432 82 7D+2 -0.03030 0.01354 0.01033 -0.00095 0.05128 83 7D-2 0.05516 -0.00930 0.01367 -0.02007 0.07089 84 8D 0 0.02446 0.00647 -0.01949 0.02192 0.04527 85 8D+1 -0.01100 0.00893 0.01190 0.01050 0.13311 86 8D-1 -0.01135 0.00077 0.02383 0.03508 -0.21551 87 8D+2 -0.00426 0.00560 0.00051 0.03979 -0.08380 88 8D-2 0.02370 -0.00047 -0.03612 0.01306 -0.11394 89 5 Cu 1S -0.01182 0.01605 0.02574 -0.01658 -0.02742 90 2S -0.10507 -0.03497 0.10072 -0.10396 -0.04277 91 3S -1.05549 -3.61272 0.14698 -1.37258 -0.49332 92 4PX -0.01932 -0.01388 0.00034 -0.01523 -0.00409 93 4PY 0.02021 0.02078 -0.00391 0.00327 0.00269 94 4PZ 0.01283 0.03156 -0.02307 0.03151 -0.00136 95 5PX 0.65363 0.32575 0.00298 0.55089 0.01454 96 5PY -0.33366 -0.96704 0.34907 -0.28654 0.04148 97 5PZ -0.49816 -0.62422 0.04265 -0.21854 -0.15150 98 6PX 0.26560 0.54478 -0.70624 -0.28107 0.01044 99 6PY -0.18152 0.00596 0.26202 -0.95057 0.21859 100 6PZ 0.21290 -0.23490 -0.30099 0.01819 -0.42796 101 7D 0 -0.03871 -0.01177 0.01323 -0.01924 0.05092 102 7D+1 -0.02948 0.00973 -0.00618 -0.00315 0.00238 103 7D-1 0.03593 0.02706 -0.01002 0.00985 0.00102 104 7D+2 -0.01979 0.02228 -0.03396 -0.02662 0.00476 105 7D-2 0.00251 -0.02960 -0.01811 0.02159 0.00819 106 8D 0 0.00094 0.01677 -0.03934 0.04302 -0.07337 107 8D+1 0.01375 -0.00492 0.00017 -0.00073 -0.00801 108 8D-1 -0.01145 -0.00811 0.02239 -0.02101 0.01017 109 8D+2 -0.00973 0.02209 0.01040 0.00287 -0.00752 110 8D-2 0.00779 0.02073 0.01173 0.00012 -0.01988 111 6 Cu 1S -0.00204 -0.00477 -0.00008 0.00339 0.03115 112 2S -0.02608 -0.01730 0.00128 0.12739 0.03999 113 3S -0.75487 -1.16482 0.04699 4.71859 -0.51538 114 4PX -0.02213 0.00932 0.00210 -0.03009 0.00418 115 4PY 0.00843 0.00373 -0.00046 0.00983 0.00762 116 4PZ 0.02854 0.01191 -0.00200 -0.04474 0.00427 117 5PX 1.37762 -0.19820 0.16645 0.87600 -0.13017 118 5PY -0.38418 -1.34482 -0.04257 -0.30514 -0.01771 119 5PZ -1.31288 0.06557 -0.09642 1.31756 -0.18323 120 6PX 0.37216 -0.22504 -0.54893 0.52413 0.00304 121 6PY -0.10192 -0.83812 0.06909 0.13719 0.22625 122 6PZ -0.38589 -0.13018 0.39279 0.69586 -0.05234 123 7D 0 -0.09765 0.04432 0.00722 0.03328 -0.02018 124 7D+1 0.03321 0.01560 -0.00688 0.02590 -0.04354 125 7D-1 -0.03860 -0.03640 -0.02755 -0.03004 -0.02774 126 7D+2 0.06372 0.04774 0.00891 0.02781 -0.01345 127 7D-2 0.01814 -0.04100 0.03828 -0.02735 -0.02070 128 8D 0 -0.02786 0.01086 -0.01222 -0.00376 0.01524 129 8D+1 0.00808 0.00277 0.00592 -0.00561 0.04663 130 8D-1 -0.01300 -0.04533 0.00363 0.01061 0.04183 131 8D+2 0.01872 0.00045 0.00486 0.00058 0.00784 132 8D-2 0.00578 -0.03289 -0.00944 0.00678 0.03281 133 7 Cu 1S 0.01071 0.01642 -0.02502 -0.01633 -0.02864 134 2S 0.09635 -0.03496 -0.10518 -0.10532 -0.04486 135 3S 1.01588 -3.63939 -0.35353 -1.42092 -0.48688 136 4PX -0.02093 0.03736 0.02504 0.03521 0.00063 137 4PY -0.01166 0.01389 0.00073 -0.00434 0.00158 138 4PZ 0.01535 -0.00603 0.00718 -0.00372 -0.00438 139 5PX 0.67363 -0.89847 -0.17080 -0.45421 -0.13633 140 5PY 0.01491 -0.77324 -0.35486 -0.13668 0.07028 141 5PZ -0.53715 0.23855 0.04861 0.47505 -0.04918 142 6PX -0.03617 -0.37453 -0.03096 -0.09358 -0.35415 143 6PY 0.10311 0.14580 -0.13119 -0.97820 0.27042 144 6PZ -0.34049 0.40542 0.81144 -0.14003 -0.17397 145 7D 0 0.03304 0.02841 0.02876 -0.02018 -0.01370 146 7D+1 0.03633 -0.01463 -0.00965 -0.00279 0.03026 147 7D-1 -0.01077 -0.00887 0.03197 0.01626 0.00461 148 7D+2 0.02229 0.01487 0.00188 -0.02932 0.03736 149 7D-2 -0.03460 0.03116 0.00172 0.01383 -0.01296 150 8D 0 0.00378 0.00448 -0.01583 -0.01042 0.01734 151 8D+1 -0.01696 0.00424 0.02508 0.02436 -0.04955 152 8D-1 0.00008 0.02195 -0.02496 -0.01043 -0.00974 153 8D+2 0.01389 0.01426 0.02066 0.02593 -0.04679 154 8D-2 0.00289 -0.02126 -0.02436 -0.02929 0.03010 155 8 C 1S -0.00188 0.07299 0.00086 0.00451 0.04032 156 2S 0.00061 -0.03778 -0.00165 -0.03415 -0.22995 157 3S 0.05911 -2.46456 -0.02126 -0.06331 -2.11737 158 4PX -0.18968 -0.00301 0.66677 0.46467 -0.09992 159 4PY 0.04122 0.05627 -0.11361 0.28799 0.97985 160 4PZ 0.15565 -0.01015 -0.45986 0.60609 -0.38877 161 5PX -0.06395 0.37948 -1.43664 -0.93848 0.11222 162 5PY 0.02752 0.34826 0.23850 -1.14682 -0.44295 163 5PZ 0.03237 0.41715 1.00709 -1.09476 0.27180 164 9 O 1S 0.00056 -0.04333 0.00019 0.01561 -0.08884 165 2S -0.00203 0.08451 -0.00029 -0.02612 0.24690 166 3S -0.00411 0.66172 -0.00223 -0.26544 0.81511 167 4PX 0.04572 -0.04697 0.11743 0.06459 0.06430 168 4PY -0.01343 0.11911 -0.01717 0.06385 0.15527 169 4PZ -0.03271 -0.09146 -0.08272 0.07895 0.04946 170 5PX 0.03549 -0.10676 0.08979 0.08521 -0.28489 171 5PY -0.01462 0.29952 -0.01692 -0.02109 1.20069 172 5PZ -0.02487 -0.22335 -0.06322 0.13029 -0.69804 126 127 128 129 130 V V V V V EIGENVALUES -- 0.64030 0.64887 0.65923 0.67240 0.67679 1 1 Cu 1S -0.00971 0.17568 -0.07725 0.00080 0.06131 2 2S 0.00019 0.33156 -0.08623 -0.00081 0.09967 3 3S 0.13097 -2.43928 1.80387 0.00830 -1.90651 4 4PX -0.00039 -0.00336 0.00627 0.00051 -0.00181 5 4PY 0.00417 0.00115 0.00377 0.00004 -0.00988 6 4PZ -0.00150 -0.00502 0.00811 -0.00113 -0.00031 7 5PX -0.02035 0.31819 -0.35698 0.27353 0.18337 8 5PY -0.21450 0.33374 -0.28746 -0.04600 0.42014 9 5PZ 0.02275 0.37918 -0.47214 -0.16576 0.13201 10 6PX 0.03076 0.25489 -0.07225 -0.13644 0.02761 11 6PY 0.47534 0.06762 0.35612 0.00604 0.30731 12 6PZ -0.06347 0.34893 -0.16764 0.10065 -0.01576 13 7D 0 -0.09250 -0.00527 0.02660 0.05171 -0.00970 14 7D+1 -0.06167 -0.00156 0.19163 -0.02564 -0.13864 15 7D-1 0.12126 -0.04193 0.09169 0.01510 0.03107 16 7D+2 -0.07303 -0.02331 -0.06141 -0.03587 0.07370 17 7D-2 0.10265 -0.02029 0.10353 -0.01177 -0.01036 18 8D 0 0.11216 -0.00677 -0.02855 -0.03343 0.01948 19 8D+1 0.08814 -0.02624 -0.24945 0.01960 0.19454 20 8D-1 -0.16438 0.03313 -0.10503 -0.01309 -0.05771 21 8D+2 0.07477 0.02064 0.09018 0.02501 -0.10409 22 8D-2 -0.13104 0.01055 -0.12813 0.01431 0.00258 23 2 Cu 1S 0.01937 -0.03627 -0.02620 0.05878 -0.01369 24 2S 0.05172 -0.06922 -0.03639 0.03689 -0.03910 25 3S 1.11183 0.83049 -0.00704 -2.86218 0.04646 26 4PX -0.00045 -0.00234 0.00324 -0.01020 -0.00444 27 4PY 0.00411 -0.00810 0.00464 -0.00870 -0.00020 28 4PZ -0.00435 0.00506 0.00596 0.01849 0.00026 29 5PX -0.10911 0.18721 -0.26129 0.70560 0.10139 30 5PY -0.33585 0.17339 -0.26618 0.24370 0.04626 31 5PZ 0.06167 0.08413 -0.37459 -0.68838 0.02961 32 6PX -0.26239 0.48187 -0.22533 0.68209 0.03544 33 6PY -0.42337 0.19474 -0.43075 -0.20329 -0.09150 34 6PZ -0.43718 0.21938 -0.76340 -0.18926 -0.23648 35 7D 0 0.04122 -0.11288 0.14338 0.05603 -0.04210 36 7D+1 0.07071 -0.13374 -0.17527 0.05568 0.10935 37 7D-1 -0.10007 -0.05041 0.06509 0.09796 -0.06479 38 7D+2 0.12974 0.13334 0.04244 0.08323 0.01390 39 7D-2 -0.12064 0.05357 0.08257 -0.09097 0.09893 40 8D 0 -0.06157 0.16562 -0.22350 -0.07762 0.05901 41 8D+1 -0.10619 0.18122 0.24572 -0.05367 -0.14748 42 8D-1 0.13430 0.10166 -0.08960 -0.12983 0.10203 43 8D+2 -0.18023 -0.18812 -0.04266 -0.13417 -0.02565 44 8D-2 0.17838 -0.08980 -0.11602 0.11444 -0.13133 45 3 Cu 1S 0.02093 -0.03536 -0.03086 -0.05430 -0.01734 46 2S 0.05336 -0.06711 -0.03915 -0.02691 -0.03927 47 3S 1.04555 0.84509 0.24484 2.90341 0.33419 48 4PX -0.00281 0.00353 0.00398 -0.01934 -0.00062 49 4PY 0.00410 -0.00867 0.00555 0.01335 0.00065 50 4PZ -0.00250 0.00058 0.00445 0.00137 -0.00456 51 5PX 0.01056 0.05891 -0.24934 0.83339 0.08108 52 5PY -0.34279 0.18605 -0.29932 -0.47181 0.00638 53 5PZ -0.02866 0.18323 -0.36250 -0.34748 0.08316 54 6PX -0.40429 0.07756 -0.67003 0.49468 -0.21276 55 6PY -0.39271 0.24107 -0.34450 0.05146 -0.06129 56 6PZ -0.32432 0.50018 -0.46478 -0.55818 -0.07963 57 7D 0 0.15901 0.05042 -0.14462 -0.07770 0.06163 58 7D+1 0.01883 -0.18320 -0.04771 -0.02412 0.07767 59 7D-1 -0.10590 0.08501 0.10866 0.01393 0.05262 60 7D+2 0.07387 -0.01045 0.15998 -0.12359 -0.10932 61 7D-2 -0.07944 -0.10122 -0.05524 -0.08839 -0.06801 62 8D 0 -0.22562 -0.07710 0.22143 0.10382 -0.09211 63 8D+1 -0.03143 0.25123 0.04801 0.01480 -0.10336 64 8D-1 0.15561 -0.12207 -0.14312 -0.00502 -0.06520 65 8D+2 -0.10794 0.03493 -0.23136 0.18267 0.15111 66 8D-2 0.10306 0.16928 0.07768 0.10398 0.10415 67 4 Cu 1S -0.03388 0.03023 0.01174 -0.00132 0.01131 68 2S -0.06794 0.07617 -0.00298 0.00154 -0.00709 69 3S 0.22852 2.78642 1.46003 -0.15727 2.04413 70 4PX -0.00447 0.00509 0.01907 -0.01452 -0.00208 71 4PY 0.02433 -0.01016 -0.00825 0.00319 -0.01515 72 4PZ -0.01200 0.00944 0.03019 0.00812 0.00041 73 5PX -0.00970 -0.00874 -0.33603 0.62656 0.21924 74 5PY -0.55424 0.31217 -0.29336 -0.08341 0.14597 75 5PZ 0.12018 -0.08192 -0.47193 -0.44156 0.24247 76 6PX 0.16059 -0.16080 0.04028 -0.01945 0.35264 77 6PY 0.58246 -0.28084 0.56260 -0.11678 1.72393 78 6PZ 0.10765 -0.16875 -0.06762 0.02077 0.13692 79 7D 0 -0.08210 0.07324 -0.08333 -0.17547 -0.04788 80 7D+1 -0.03397 0.13000 0.05468 0.08966 -0.16088 81 7D-1 0.07693 -0.01905 0.01861 0.03149 0.00750 82 7D+2 -0.09209 0.02556 -0.14968 0.07912 0.04579 83 7D-2 0.08194 -0.01021 0.06188 -0.09876 -0.04129 84 8D 0 0.12305 -0.10551 0.13136 0.26330 0.07827 85 8D+1 0.05403 -0.20539 -0.07529 -0.13704 0.26102 86 8D-1 -0.11262 0.05023 -0.03928 -0.04910 -0.01401 87 8D+2 0.13656 -0.01643 0.22755 -0.11808 -0.07041 88 8D-2 -0.12009 0.02227 -0.10110 0.15372 0.06276 89 5 Cu 1S 0.06172 0.15854 0.04715 0.04913 0.03109 90 2S 0.10299 0.30373 0.08798 0.05601 0.08007 91 3S -0.90055 -2.57193 -0.96040 -0.86556 -0.14090 92 4PX 0.00020 -0.00319 0.00111 -0.00609 0.00306 93 4PY 0.00747 0.00167 0.00147 0.00676 0.00143 94 4PZ -0.00469 0.00383 0.00129 -0.00150 -0.00179 95 5PX 0.03248 0.45285 -0.00612 0.35444 -0.14200 96 5PY -0.30353 -0.27995 -0.16332 -0.17323 -0.04202 97 5PZ -0.03272 -0.27709 -0.26871 -0.18766 0.00658 98 6PX 0.14543 0.24999 0.19909 -0.13470 -0.01093 99 6PY -0.12939 -0.31749 -0.05197 0.02059 -0.44901 100 6PZ 0.12788 -0.39778 0.28819 0.21715 0.12539 101 7D 0 0.01927 -0.02465 -0.04269 0.00820 0.07604 102 7D+1 -0.05090 -0.08896 0.01867 0.11579 0.07921 103 7D-1 0.00681 0.04193 -0.16674 -0.15654 0.02603 104 7D+2 0.09054 -0.00351 0.02227 -0.01765 -0.00403 105 7D-2 0.16153 0.05754 -0.02812 0.13530 -0.09195 106 8D 0 -0.00753 0.05920 0.04204 -0.02243 -0.10593 107 8D+1 0.07611 0.14288 -0.00935 -0.15977 -0.12991 108 8D-1 -0.01879 -0.08005 0.23098 0.22009 -0.03945 109 8D+2 -0.10411 -0.00965 -0.00744 0.00646 0.01859 110 8D-2 -0.21666 -0.04796 0.04002 -0.17227 0.13327 111 6 Cu 1S 0.05033 -0.05765 -0.01349 0.00045 -0.02255 112 2S 0.05512 -0.06153 -0.08312 0.00384 -0.04919 113 3S -0.87364 3.17352 -1.48639 0.10124 -0.15025 114 4PX 0.00639 -0.00854 0.00919 -0.00977 0.00695 115 4PY 0.00321 0.00504 0.00157 0.00158 -0.00741 116 4PZ 0.00845 -0.01315 0.01316 0.00534 0.01254 117 5PX -0.20246 0.35278 -0.33040 0.53671 -0.04059 118 5PY -0.28098 -0.07990 -0.25419 -0.08403 0.23431 119 5PZ -0.22284 0.51738 -0.45777 -0.33741 -0.15331 120 6PX -0.03208 0.07167 -0.06886 0.53694 -0.01753 121 6PY -0.53701 0.00992 -0.71854 -0.05695 -0.21917 122 6PZ 0.07607 0.10641 0.00883 -0.36845 -0.00964 123 7D 0 -0.11238 0.03973 0.00358 0.14285 -0.03155 124 7D+1 0.00533 0.23920 -0.06179 -0.05367 -0.07318 125 7D-1 -0.13130 0.05535 0.02808 0.00028 0.13818 126 7D+2 -0.22748 -0.07168 0.04125 -0.08249 0.03425 127 7D-2 -0.02299 0.09094 0.00065 0.02496 0.09056 128 8D 0 0.15986 -0.05307 -0.00929 -0.21808 0.03330 129 8D+1 -0.01448 -0.34681 0.07155 0.08169 0.10169 130 8D-1 0.17071 -0.06556 -0.05393 -0.01111 -0.18320 131 8D+2 0.32309 0.11681 -0.05737 0.13105 -0.05908 132 8D-2 0.02032 -0.12474 -0.01226 -0.02541 -0.11444 133 7 Cu 1S 0.06238 0.15977 0.04268 -0.04973 0.02919 134 2S 0.10406 0.30508 0.08241 -0.06083 0.07750 135 3S -0.89286 -2.60176 -0.88429 0.85695 -0.14475 136 4PX -0.00302 0.00512 0.00104 -0.00169 -0.00183 137 4PY 0.00815 0.00035 0.00118 -0.00544 0.00200 138 4PZ -0.00268 -0.00182 0.00192 0.00690 0.00256 139 5PX -0.10255 -0.46338 -0.25267 0.32154 0.04638 140 5PY -0.28121 -0.14494 -0.11899 0.06417 -0.07740 141 5PZ 0.06402 0.36403 -0.09700 -0.25919 -0.14591 142 6PX 0.04726 -0.50426 0.16422 -0.27311 0.00811 143 6PY -0.10643 -0.21134 -0.03830 0.08822 -0.45632 144 6PZ 0.19474 0.13902 0.29889 0.03133 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-0.01963 11 6PY 0.02374 0.15543 -0.49918 -0.02704 -0.35194 12 6PZ 0.10024 0.00176 -0.47785 -0.15760 0.05383 13 7D 0 -0.05525 -0.04358 -0.10028 -0.15553 0.02401 14 7D+1 0.03673 -0.12871 -0.14219 0.04975 -0.03423 15 7D-1 0.08469 0.07677 -0.05829 -0.10823 0.16523 16 7D+2 -0.00963 0.04175 -0.08588 0.12848 0.11596 17 7D-2 -0.14116 0.01878 -0.03016 0.11322 0.07738 18 8D 0 0.07023 0.06001 0.16263 0.23858 -0.01868 19 8D+1 -0.05163 0.18830 0.24585 -0.07489 0.07370 20 8D-1 -0.13672 -0.13385 0.12204 0.17577 -0.24944 21 8D+2 0.02533 -0.07026 0.13683 -0.20136 -0.16050 22 8D-2 0.22135 -0.03832 0.07091 -0.18837 -0.11862 23 2 Cu 1S -0.00628 0.02117 0.13889 0.21160 0.01801 24 2S -0.01483 0.06281 0.20345 0.32234 0.02316 25 3S 0.68238 0.79665 -4.18441 -5.93299 -0.85214 26 4PX -0.00494 -0.00570 -0.00731 -0.01111 0.00101 27 4PY 0.00832 0.01083 -0.00993 -0.01336 0.01069 28 4PZ -0.00805 -0.00269 0.00821 0.00878 0.01478 29 5PX 0.16498 0.21048 0.48640 0.77577 0.14408 30 5PY -0.21685 -0.16944 0.61021 0.71400 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0.00472 51 5PX -0.03175 -0.04472 -0.46409 0.75870 -0.14299 52 5PY 0.22080 -0.08682 0.74946 -0.94652 0.10905 53 5PZ -0.23723 0.26488 0.20111 -0.36299 0.08335 54 6PX 0.13193 0.07089 -0.33820 0.48904 0.08964 55 6PY 0.25136 0.10072 0.51265 -0.83742 0.24268 56 6PZ -0.05484 0.21842 0.01756 -0.11977 0.20722 57 7D 0 -0.03791 0.05557 0.02656 -0.01611 0.01415 58 7D+1 -0.01875 0.03258 0.11172 0.12909 0.11438 59 7D-1 0.17593 0.14426 0.05037 0.03314 0.03113 60 7D+2 -0.04308 -0.02088 -0.06031 0.00389 0.06629 61 7D-2 0.09888 -0.15365 0.05082 0.00991 -0.06061 62 8D 0 0.08055 -0.08481 -0.02247 -0.01987 -0.02915 63 8D+1 0.02437 -0.04305 -0.19476 -0.22646 -0.17130 64 8D-1 -0.23620 -0.22351 -0.12698 -0.02315 -0.06773 65 8D+2 0.06090 0.03207 0.09106 0.00122 -0.08790 66 8D-2 -0.13971 0.23865 -0.07092 0.00029 0.09043 67 4 Cu 1S 0.00125 -0.04042 -0.03092 -0.00185 0.05627 68 2S -0.00006 -0.04744 -0.03656 -0.00150 0.10746 69 3S 0.09604 0.88954 1.25407 0.11114 -0.78812 70 4PX -0.01363 0.00098 0.00728 0.00742 -0.01208 71 4PY 0.00191 -0.01537 0.01168 -0.00148 -0.00417 72 4PZ 0.00977 0.00570 0.00764 -0.00497 -0.01614 73 5PX 0.26943 -0.10571 -0.13525 0.11102 0.35014 74 5PY -0.04156 0.24332 0.16050 -0.00170 0.46216 75 5PZ -0.16677 -0.19435 -0.23311 -0.09440 0.39427 76 6PX 0.33860 0.08684 -0.25879 -0.06623 -0.09249 77 6PY 0.04279 -1.00826 0.06101 0.01276 -0.34885 78 6PZ -0.25181 0.36296 -0.39268 0.04806 -0.09155 79 7D 0 -0.04553 -0.00656 0.05618 0.05210 -0.02225 80 7D+1 -0.00353 0.02848 0.20237 -0.00416 -0.01272 81 7D-1 -0.11924 -0.10366 0.12894 0.12694 -0.04314 82 7D+2 0.08344 -0.06215 -0.00314 -0.08322 -0.04189 83 7D-2 0.16239 -0.03770 0.11418 -0.16590 -0.01598 84 8D 0 0.08692 -0.00634 -0.10238 -0.06982 0.04860 85 8D+1 -0.00045 -0.06544 -0.35326 -0.00355 0.02045 86 8D-1 0.18513 0.15995 -0.23181 -0.23228 0.07713 87 8D+2 -0.13710 0.08110 -0.00366 0.13815 0.09067 88 8D-2 -0.24831 0.06030 -0.20146 0.30874 0.02343 89 5 Cu 1S 0.04801 0.11939 0.02023 -0.10976 -0.01181 90 2S 0.05454 0.21673 0.04459 -0.19649 -0.05054 91 3S -1.45929 -2.16389 -1.07931 2.83193 -0.16494 92 4PX -0.00141 0.00032 0.00123 0.00116 -0.00308 93 4PY 0.00172 0.00340 0.00243 0.00161 -0.00747 94 4PZ 0.00902 0.00063 0.00074 -0.00320 0.00879 95 5PX 0.12863 0.28933 0.37563 -0.21630 0.11851 96 5PY -0.27146 -0.43673 0.11313 0.54861 -0.03626 97 5PZ -0.32282 -0.19294 -0.10215 0.24708 0.01823 98 6PX -0.05251 0.28702 0.40887 -0.23168 0.05255 99 6PY -0.22300 0.03676 -0.07296 0.59044 0.01248 100 6PZ 0.08260 -0.41936 -0.10750 0.34532 -0.07199 101 7D 0 -0.07240 0.04432 -0.06995 0.06823 -0.01195 102 7D+1 0.10392 0.01628 -0.12898 -0.04962 0.04250 103 7D-1 0.06125 -0.03881 -0.04158 0.00144 -0.04186 104 7D+2 0.06175 0.07843 0.08072 0.15289 0.11196 105 7D-2 0.14184 -0.05299 -0.11030 0.10357 -0.03606 106 8D 0 0.09965 -0.04602 0.09852 -0.11239 0.03232 107 8D+1 -0.14266 -0.00883 0.21515 0.06161 -0.07036 108 8D-1 -0.11409 0.03203 0.06949 0.02813 0.05539 109 8D+2 -0.08181 -0.09502 -0.14620 -0.24867 -0.15877 110 8D-2 -0.19798 0.10335 0.17529 -0.18923 0.06128 111 6 Cu 1S 0.00073 -0.08089 -0.19035 0.00045 -0.07356 112 2S 0.00093 -0.11437 -0.28773 0.00083 -0.09796 113 3S -0.03660 2.81241 5.90632 0.00360 2.38896 114 4PX -0.00126 -0.00189 -0.01418 0.00725 -0.00650 115 4PY 0.00015 0.00001 -0.00348 -0.00100 -0.00449 116 4PZ 0.00121 -0.00303 -0.01930 -0.00491 -0.00811 117 5PX 0.10384 0.23742 0.75356 -0.02323 0.34595 118 5PY -0.00642 0.00925 0.54062 -0.00113 0.04178 119 5PZ -0.07968 0.34981 0.95427 0.01119 0.48424 120 6PX 0.24740 0.16844 0.57000 0.03852 0.20941 121 6PY -0.03530 -0.19252 0.22659 -0.01142 0.35131 122 6PZ -0.18023 0.27082 0.77476 -0.02985 0.23341 123 7D 0 0.11458 -0.01071 0.07858 0.01157 -0.02724 124 7D+1 -0.03507 0.03311 0.04301 0.01379 -0.10124 125 7D-1 0.09536 0.10295 -0.10121 0.11877 -0.06161 126 7D+2 -0.09864 -0.00996 0.07199 -0.05671 0.00221 127 7D-2 -0.09740 0.07645 -0.09059 -0.15987 -0.05789 128 8D 0 -0.15756 0.01199 -0.11257 -0.01578 0.05205 129 8D+1 0.04980 -0.06873 -0.07293 -0.02692 0.15760 130 8D-1 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-0.04413 150 8D 0 0.12053 -0.08011 -0.06437 0.06860 -0.18330 151 8D+1 0.06320 0.00856 0.29088 -0.00617 0.01789 152 8D-1 0.24104 0.08627 0.10684 0.22833 0.02581 153 8D+2 -0.08634 -0.09686 -0.07660 0.15248 -0.03474 154 8D-2 0.07096 0.05185 0.07585 -0.18040 0.05128 155 8 C 1S 0.00296 -0.04695 0.01512 -0.00030 -0.00713 156 2S 0.01672 0.08087 0.05032 0.00642 -0.22700 157 3S -0.00528 -0.24569 0.05270 -0.00766 0.14876 158 4PX -0.01882 0.03219 0.02306 0.06481 0.02566 159 4PY 0.02283 -0.18755 0.02330 -0.01011 0.13813 160 4PZ 0.00316 0.09532 0.02583 -0.04324 0.00425 161 5PX 0.13324 -0.00578 0.01862 -0.12547 -0.47401 162 5PY -0.06510 0.46033 -0.00034 0.02179 -0.53998 163 5PZ -0.07585 -0.14748 0.03665 0.08143 -0.55653 164 9 O 1S 0.00076 -0.00301 -0.00089 -0.00009 0.00026 165 2S 0.00195 -0.04347 0.04090 0.00088 -0.05042 166 3S -0.01812 0.22404 -0.08034 0.00079 0.03746 167 4PX 0.26287 0.28340 -0.00983 0.04175 -0.33477 168 4PY -0.00909 -0.32561 0.15943 -0.00669 -0.34102 169 4PZ -0.21715 0.44390 -0.04325 -0.02604 -0.40730 170 5PX -0.40031 -0.40955 0.00488 -0.05639 0.59036 171 5PY 0.02300 0.35877 -0.27250 0.00833 0.76816 172 5PZ 0.32600 -0.60893 0.05787 0.03538 0.67647 136 137 138 139 140 V V V V V EIGENVALUES -- 0.77297 0.78738 0.82135 0.82937 0.84686 1 1 Cu 1S 0.00012 0.00078 0.02808 -0.00143 -0.10395 2 2S -0.00007 0.00170 0.04211 -0.00199 -0.22388 3 3S -0.02511 -0.00564 -1.06335 0.06326 1.34273 4 4PX -0.00158 0.00453 -0.01030 -0.00357 -0.00326 5 4PY -0.00003 -0.00064 -0.00425 0.00094 0.00700 6 4PZ 0.00108 -0.00314 -0.01344 0.00389 -0.00580 7 5PX -0.05467 0.04000 0.13857 0.15386 -0.00888 8 5PY 0.01233 -0.00595 0.25725 -0.03848 -0.17822 9 5PZ 0.04418 -0.02848 0.12458 -0.12472 0.01244 10 6PX -0.12695 0.03441 0.20550 -0.03376 -0.36582 11 6PY 0.03406 -0.00697 0.36407 -0.02590 -0.02616 12 6PZ 0.09177 -0.01929 0.20760 0.00167 -0.49850 13 7D 0 -0.08922 0.07440 0.11916 -0.00428 0.07464 14 7D+1 0.03963 -0.00978 0.05337 -0.01451 0.11296 15 7D-1 0.00655 0.15336 0.08534 -0.06232 -0.19048 16 7D+2 0.04842 -0.10549 0.18218 0.00856 0.00222 17 7D-2 -0.03092 -0.19242 0.01717 0.07885 -0.13337 18 8D 0 0.12851 -0.10053 -0.18166 0.01799 -0.12329 19 8D+1 -0.05892 0.00664 -0.07931 0.02071 -0.19498 20 8D-1 -0.02210 -0.25138 -0.14502 0.11780 0.34838 21 8D+2 -0.06531 0.16168 -0.28562 -0.02699 0.01067 22 8D-2 0.06153 0.32094 -0.03710 -0.14700 0.24072 23 2 Cu 1S 0.00237 0.02663 0.01248 0.04957 0.08924 24 2S -0.00878 0.04463 0.00322 0.08856 0.15058 25 3S -0.48164 -0.57136 0.10603 -1.39794 -2.32652 26 4PX -0.00201 -0.00083 -0.00053 -0.00523 -0.00430 27 4PY -0.00943 0.00856 -0.00648 -0.00058 -0.00225 28 4PZ -0.00393 0.00821 0.00123 -0.00164 0.00192 29 5PX 0.10726 0.07056 0.11404 0.21232 0.19233 30 5PY 0.09899 0.11450 0.23089 0.04656 0.59171 31 5PZ -0.11967 0.01302 -0.04088 -0.05989 0.07379 32 6PX 0.04838 0.04784 0.00606 -0.02701 0.23904 33 6PY 0.16851 -0.21189 -0.01778 0.51015 -0.04028 34 6PZ 0.05218 -0.36452 -0.33505 -0.12911 -0.40687 35 7D 0 -0.04648 0.12183 0.14121 -0.06859 0.07511 36 7D+1 -0.06246 0.03789 0.00120 -0.05972 -0.06935 37 7D-1 -0.07551 0.01548 0.01615 0.15754 0.03269 38 7D+2 -0.05565 0.07749 -0.08360 -0.06610 0.09480 39 7D-2 0.00782 0.07134 0.00180 0.03879 0.06907 40 8D 0 0.06886 -0.16248 -0.22079 0.11119 -0.10410 41 8D+1 0.10161 -0.05817 0.01215 0.11621 0.10847 42 8D-1 0.12066 -0.02649 0.00440 -0.28247 -0.07656 43 8D+2 0.07714 -0.10288 0.13679 0.10570 -0.12428 44 8D-2 -0.01516 -0.11688 -0.01838 -0.07359 -0.14119 45 3 Cu 1S -0.00547 -0.02764 0.01053 -0.04960 0.08489 46 2S 0.00387 -0.04635 -0.00192 -0.08642 0.14456 47 3S 0.56857 0.59218 0.16116 1.35220 -2.20620 48 4PX 0.00435 -0.00943 0.00005 0.00018 0.00210 49 4PY 0.00884 -0.00684 -0.00722 0.00244 -0.00309 50 4PZ 0.00199 -0.00087 0.00164 0.00496 -0.00308 51 5PX 0.13490 -0.01518 -0.03201 0.11092 0.16232 52 5PY -0.15160 -0.12913 0.26309 -0.12613 0.59433 53 5PZ -0.03930 -0.05655 0.04142 -0.17770 0.11811 54 6PX -0.08183 0.40423 -0.31984 0.05852 -0.44909 55 6PY -0.18681 0.14531 -0.01854 -0.49904 0.04751 56 6PZ -0.05786 0.05516 -0.07459 0.15987 0.06475 57 7D 0 0.05526 -0.02112 -0.09475 0.09554 -0.01115 58 7D+1 0.05584 -0.09144 0.10786 0.05165 -0.01603 59 7D-1 0.02767 -0.08107 -0.04198 -0.07411 0.10028 60 7D+2 0.06867 -0.10306 0.06793 0.01508 0.11536 61 7D-2 0.05900 0.04444 -0.02029 -0.14535 -0.04553 62 8D 0 -0.08424 0.02672 0.15952 -0.16979 0.03908 63 8D+1 -0.08890 0.13263 -0.16713 -0.09907 0.01950 64 8D-1 -0.03831 0.12924 0.06641 0.14146 -0.18829 65 8D+2 -0.10127 0.13136 -0.09227 -0.01449 -0.15700 66 8D-2 -0.09955 -0.05799 0.06575 0.24757 0.04860 67 4 Cu 1S 0.00088 0.00009 -0.06176 0.00317 0.01012 68 2S 0.00120 0.00026 -0.04348 0.00202 0.02905 69 3S 0.02473 -0.00235 5.39320 -0.33329 -1.97798 70 4PX -0.01742 0.00093 0.02748 0.01080 -0.01244 71 4PY 0.00250 -0.00016 -0.03542 0.00029 0.02075 72 4PZ 0.01255 -0.00072 0.04458 -0.01201 -0.02150 73 5PX 0.57842 -0.02764 -0.54963 -0.65298 -0.01617 74 5PY -0.10423 0.00684 -0.03375 0.11733 0.32394 75 5PZ -0.40200 0.01940 -0.63702 0.52450 -0.13004 76 6PX 0.66345 0.06806 -0.22400 0.37545 0.49914 77 6PY -0.08579 -0.01704 0.16079 -0.06088 0.83459 78 6PZ -0.45399 -0.05321 -0.36542 -0.23444 0.48506 79 7D 0 -0.02348 -0.01737 0.06087 -0.21450 0.05735 80 7D+1 -0.00390 0.00821 -0.01656 0.08983 -0.04466 81 7D-1 -0.08572 0.00533 -0.03399 -0.01748 -0.00941 82 7D+2 0.04899 0.00577 0.13907 0.10907 0.12498 83 7D-2 0.10946 -0.01187 -0.07060 -0.02198 -0.04856 84 8D 0 0.01447 0.02997 -0.09815 0.33594 -0.10913 85 8D+1 0.02003 -0.01466 0.05310 -0.14556 0.03594 86 8D-1 0.15422 -0.01233 -0.02502 0.01331 0.06075 87 8D+2 -0.07470 -0.00847 -0.26431 -0.15841 -0.19044 88 8D-2 -0.20676 0.02514 0.07620 0.06360 0.10315 89 5 Cu 1S 0.03569 -0.02124 0.11275 -0.08885 -0.04340 90 2S 0.09602 -0.04722 0.23267 -0.17323 -0.07864 91 3S -0.52647 0.23940 -1.95158 1.60296 1.06545 92 4PX -0.00848 -0.00726 -0.00596 0.00002 0.00185 93 4PY 0.01163 -0.00359 0.00938 -0.00075 -0.01439 94 4PZ -0.01136 0.00003 0.00255 -0.00763 -0.00114 95 5PX 0.02963 0.01810 0.14910 -0.06779 0.09858 96 5PY -0.08830 0.03102 -0.06630 0.25032 0.32276 97 5PZ -0.11202 0.01382 -0.44265 0.32118 0.21699 98 6PX -0.06412 -0.07055 0.27053 -0.21393 -0.22148 99 6PY 0.08011 0.04719 -0.20320 0.23376 -0.17322 100 6PZ -0.21863 -0.00009 -0.20744 -0.08796 0.23348 101 7D 0 -0.15183 -0.04479 -0.01141 -0.18885 0.13778 102 7D+1 0.00619 -0.15258 -0.08254 0.12871 0.06695 103 7D-1 0.09466 -0.16177 0.13040 -0.05448 0.04249 104 7D+2 0.06469 0.19108 0.02379 -0.00028 0.17301 105 7D-2 -0.04260 -0.04770 -0.00349 -0.04421 -0.00754 106 8D 0 0.21387 0.07193 -0.00119 0.30184 -0.22376 107 8D+1 -0.00795 0.25655 0.15299 -0.22141 -0.12183 108 8D-1 -0.16333 0.26894 -0.22430 0.10214 -0.07873 109 8D+2 -0.09744 -0.29297 -0.04725 -0.01566 -0.31583 110 8D-2 0.05353 0.06810 0.00494 0.05754 0.02112 111 6 Cu 1S 0.00074 0.00110 0.01242 0.00020 -0.11346 112 2S 0.00068 0.00196 -0.02595 0.00384 -0.17208 113 3S -0.03317 -0.02248 -0.06956 -0.00267 2.61920 114 4PX 0.01373 0.00855 0.00608 -0.00431 -0.00675 115 4PY -0.00227 -0.00130 -0.00594 0.00108 0.00661 116 4PZ -0.00939 -0.00602 0.01059 0.00201 -0.01147 117 5PX 0.05821 0.15388 -0.21936 0.19826 0.36918 118 5PY -0.01232 -0.02593 0.05692 -0.03257 0.28614 119 5PZ -0.05045 -0.11245 -0.33529 -0.10828 0.45565 120 6PX -0.14208 -0.40640 -0.07620 -0.50696 0.39710 121 6PY 0.00531 0.06219 -0.27989 0.10192 0.41574 122 6PZ 0.09532 0.27956 0.02497 0.35637 0.47088 123 7D 0 -0.10999 -0.12119 0.02649 -0.12650 -0.02125 124 7D+1 0.05791 0.06198 0.08922 0.05439 0.01833 125 7D-1 0.07174 0.06239 -0.12923 0.04618 -0.09691 126 7D+2 0.02585 0.03738 -0.03917 0.05323 -0.07485 127 7D-2 -0.12807 -0.11661 -0.07483 -0.08018 -0.04418 128 8D 0 0.15446 0.15360 -0.05531 0.18706 0.03431 129 8D+1 -0.08299 -0.08182 -0.18229 -0.07930 -0.03319 130 8D-1 -0.11209 -0.10112 0.21539 -0.08720 0.19551 131 8D+2 -0.03136 -0.03831 0.07259 -0.07232 0.13600 132 8D-2 0.19456 0.17750 0.11943 0.14167 0.09392 133 7 Cu 1S -0.03365 0.02040 0.12492 0.07079 -0.04517 134 2S -0.09266 0.04527 0.25789 0.13602 -0.08200 135 3S 0.48345 -0.23077 -2.15423 -1.31509 1.09697 136 4PX 0.00580 -0.00154 0.00669 0.00653 -0.00433 137 4PY -0.01063 0.00498 0.00789 -0.00141 -0.01379 138 4PZ 0.01358 0.00621 -0.00618 0.00317 0.00403 139 5PX 0.12063 -0.01296 -0.51898 -0.30350 0.24390 140 5PY 0.05667 -0.03433 0.00609 -0.18569 0.30456 141 5PZ -0.00883 -0.01863 -0.00380 -0.01128 0.11508 142 6PX 0.17044 -0.03174 -0.32077 0.00691 0.25036 143 6PY -0.10582 -0.02793 -0.13020 -0.18131 -0.24602 144 6PZ 0.15985 0.06855 0.22803 0.22686 -0.08676 145 7D 0 -0.10274 -0.09495 -0.04870 -0.14116 0.11650 146 7D+1 0.10992 0.19130 -0.07686 0.02746 0.07627 147 7D-1 -0.02732 0.02392 0.06103 0.04161 0.05811 148 7D+2 0.03831 -0.06252 0.09566 0.16711 0.18313 149 7D-2 -0.10842 0.20164 0.08899 -0.04997 -0.01544 150 8D 0 0.14576 0.13505 0.09218 0.24228 -0.22337 151 8D+1 -0.15741 -0.30975 0.13098 -0.03405 -0.12113 152 8D-1 0.05644 -0.03811 -0.10463 -0.05515 -0.10221 153 8D+2 -0.04249 0.09186 -0.18304 -0.26771 -0.31521 154 8D-2 0.17479 -0.33324 -0.14662 0.06364 0.01869 155 8 C 1S -0.00114 0.00006 -0.03872 0.00314 0.03446 156 2S 0.01326 -0.00168 1.06398 -0.07273 -0.65713 157 3S -0.02711 0.00278 -1.69719 0.11978 1.36876 158 4PX 0.10682 0.00057 0.00268 0.02228 0.02024 159 4PY -0.01654 0.00008 0.00008 -0.00437 -0.00560 160 4PZ -0.07579 -0.00073 0.00317 -0.01412 0.03021 161 5PX -0.84808 0.05071 0.25523 0.40227 -0.04374 162 5PY 0.13473 -0.00909 0.10035 -0.07697 0.17891 163 5PZ 0.59968 -0.03789 0.25426 -0.31598 -0.08618 164 9 O 1S 0.00044 -0.00004 0.00164 -0.00029 -0.00533 165 2S -0.00356 0.00012 0.02929 0.00033 0.04554 166 3S 0.00288 0.00000 0.14991 -0.01252 -0.16753 167 4PX -0.48344 0.03955 0.08189 0.23235 0.01751 168 4PY 0.07833 -0.00745 -0.05783 -0.03345 0.19636 169 4PZ 0.34101 -0.02950 0.08587 -0.17411 -0.01575 170 5PX 0.93154 -0.07637 -0.17312 -0.48839 -0.04077 171 5PY -0.15225 0.01493 -0.08763 0.08478 -0.30950 172 5PZ -0.65589 0.05655 -0.13074 0.36321 0.00067 141 142 143 144 145 V V V V V EIGENVALUES -- 0.86178 0.87068 0.87193 0.90054 0.90564 1 1 Cu 1S 0.00407 0.12051 -0.01254 0.03014 0.00062 2 2S 0.00732 0.17039 -0.01898 0.05321 0.00091 3 3S -0.06470 -3.18233 0.29964 0.61114 -0.02284 4 4PX -0.00613 -0.00954 0.00642 -0.00111 -0.01064 5 4PY 0.00070 -0.01911 0.00091 0.01409 0.00167 6 4PZ 0.00388 -0.01081 -0.00327 -0.00452 0.00750 7 5PX 0.20100 0.40800 -0.24493 -0.01999 -0.04173 8 5PY -0.01316 0.82986 -0.04522 0.08005 -0.00025 9 5PZ -0.13008 0.45555 0.10864 -0.03843 0.04188 10 6PX -0.23188 0.20222 0.15120 -0.14548 -0.22049 11 6PY 0.04150 0.07065 -0.03052 -0.18247 0.04259 12 6PZ 0.18410 0.22933 -0.15056 -0.15942 0.15234 13 7D 0 -0.19057 -0.04641 0.23508 -0.03411 -0.08625 14 7D+1 0.09258 0.08000 -0.12049 -0.10673 0.03541 15 7D-1 0.06880 -0.07492 -0.09970 0.04829 0.00472 16 7D+2 0.07010 -0.20620 -0.05480 0.02763 0.04847 17 7D-2 -0.13746 0.04218 0.19896 0.01556 -0.02610 18 8D 0 0.34895 0.07459 -0.42284 0.08062 0.14063 19 8D+1 -0.16998 -0.17680 0.22196 0.19645 -0.05949 20 8D-1 -0.12736 0.11949 0.19264 -0.11139 -0.01955 21 8D+2 -0.12749 0.37438 0.09400 -0.02724 -0.07661 22 8D-2 0.25237 -0.09352 -0.37248 -0.05178 0.05814 23 2 Cu 1S 0.08424 0.04002 -0.03032 0.07001 -0.05882 24 2S 0.11316 0.04027 -0.04480 0.09517 -0.09210 25 3S -2.00645 -0.51299 0.57601 -1.93800 2.12269 26 4PX -0.00028 -0.00010 0.00055 -0.01737 -0.00704 27 4PY -0.00801 -0.00598 -0.00831 -0.00390 0.00824 28 4PZ 0.00573 0.00556 -0.01069 0.00801 -0.01885 29 5PX 0.29415 0.09298 -0.07776 0.08934 -0.21597 30 5PY 0.11143 0.62745 0.35221 0.69932 -0.40383 31 5PZ -0.50308 -0.00202 0.50582 -0.72733 0.25093 32 6PX 0.66558 0.41129 -0.15033 0.09425 0.02752 33 6PY -0.03747 0.32674 -0.43196 0.23361 -0.23781 34 6PZ -0.15032 0.38879 -0.32309 -0.16398 0.34271 35 7D 0 -0.03702 -0.04522 0.14288 0.06698 -0.12310 36 7D+1 -0.00581 -0.05798 0.07084 -0.04257 0.13987 37 7D-1 -0.06848 -0.12622 0.01157 -0.14722 0.00148 38 7D+2 0.06767 -0.01557 0.06967 -0.15373 0.17603 39 7D-2 0.06908 -0.04691 0.03477 0.02555 0.04315 40 8D 0 0.03658 0.09986 -0.21190 -0.14183 0.19715 41 8D+1 0.01611 0.10487 -0.14482 0.10048 -0.27281 42 8D-1 0.11216 0.25432 -0.01611 0.31197 0.00929 43 8D+2 -0.11681 0.05404 -0.10475 0.31222 -0.32002 44 8D-2 -0.12195 0.07267 -0.07354 -0.06274 -0.05248 45 3 Cu 1S -0.08474 0.04959 0.02511 0.07292 0.05525 46 2S -0.11534 0.05402 0.04087 0.09799 0.08830 47 3S 2.04183 -0.73633 -0.53151 -2.00873 -2.00997 48 4PX -0.00369 0.00629 0.01100 0.01260 0.01321 49 4PY 0.00837 -0.00599 0.00747 -0.00843 -0.00799 50 4PZ -0.00302 0.00315 0.00156 -0.01245 0.01461 51 5PX 0.51813 -0.03145 -0.55996 -0.57098 -0.18225 52 5PY -0.22429 0.58985 -0.34188 0.80750 0.43524 53 5PZ -0.09248 -0.00637 -0.04780 -0.26653 0.06874 54 6PX 0.37003 0.33404 0.26386 -0.13310 -0.25945 55 6PY -0.10648 0.42462 0.33469 0.28789 0.24677 56 6PZ -0.56401 0.51333 0.10613 -0.01492 -0.17695 57 7D 0 -0.05245 -0.01290 -0.03533 -0.15099 -0.22635 58 7D+1 0.02569 -0.09012 -0.10715 0.06068 -0.00777 59 7D-1 -0.06843 -0.08737 -0.02140 -0.08467 -0.10120 60 7D+2 0.02871 -0.07217 -0.09669 -0.06742 0.06134 61 7D-2 0.08442 -0.09084 0.04854 -0.11875 -0.00014 62 8D 0 0.07833 0.03849 0.06844 0.31805 0.41777 63 8D+1 -0.03309 0.16106 0.18904 -0.11913 0.03821 64 8D-1 0.12232 0.16349 0.04068 0.16602 0.15302 65 8D+2 -0.02677 0.15664 0.11835 0.13602 -0.09288 66 8D-2 -0.14521 0.18099 -0.07896 0.25985 -0.00743 67 4 Cu 1S -0.00152 -0.04832 0.00437 0.04412 0.00104 68 2S 0.00135 0.00660 -0.00059 0.22917 -0.00295 69 3S 0.16528 3.90803 -0.36647 0.48313 -0.12217 70 4PX -0.01782 0.00139 0.00022 0.01618 0.00244 71 4PY 0.00138 -0.04696 0.00442 -0.02151 0.00036 72 4PZ 0.01422 0.01175 -0.00145 0.02704 -0.00268 73 5PX 0.63532 0.12240 -0.01379 -1.13387 -0.11401 74 5PY -0.05912 1.39214 -0.12558 2.56955 -0.02832 75 5PZ -0.49569 -0.10888 0.01080 -2.19357 0.13539 76 6PX 0.33412 -0.07473 -0.11372 0.13752 0.28881 77 6PY -0.06242 0.19844 0.01578 0.41618 -0.03284 78 6PZ -0.26096 -0.08932 0.10646 0.10376 -0.18075 79 7D 0 0.00026 -0.05661 0.04189 0.01236 -0.10319 80 7D+1 0.00122 0.01279 -0.01657 0.05248 0.05322 81 7D-1 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7D 0 0.13351 -0.04732 0.06374 -0.03210 -0.06978 102 7D+1 0.22564 0.12061 0.13810 0.01110 -0.02810 103 7D-1 -0.05755 0.17908 0.12178 0.00116 0.12407 104 7D+2 0.04019 0.14962 0.14317 0.00685 0.10292 105 7D-2 -0.17690 -0.05014 -0.03658 0.10411 0.10160 106 8D 0 -0.24462 0.06051 -0.11058 0.03411 0.14708 107 8D+1 -0.41130 -0.22112 -0.26186 -0.00453 0.05976 108 8D-1 0.09978 -0.33637 -0.23114 -0.02427 -0.25602 109 8D+2 -0.06613 -0.27302 -0.24852 -0.01379 -0.17375 110 8D-2 0.33499 0.07761 0.06601 -0.20191 -0.17873 111 6 Cu 1S 0.00351 -0.02463 -0.00033 0.10047 -0.00135 112 2S 0.00438 -0.04235 -0.00016 0.11327 -0.00057 113 3S -0.08146 0.63298 -0.00161 -2.65409 0.01971 114 4PX -0.00534 0.00078 -0.01085 0.01102 0.01247 115 4PY 0.00081 0.00686 0.00107 0.01202 -0.00260 116 4PZ 0.00452 0.00168 0.00716 0.01242 -0.00909 117 5PX 0.56805 0.02063 0.32742 -0.59607 0.11668 118 5PY -0.09243 0.00411 -0.04489 0.19878 -0.02013 119 5PZ -0.43707 -0.02150 -0.21530 -0.88783 -0.06350 120 6PX 0.18240 -0.04112 -0.31108 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0.00270 -0.26155 -0.35549 11 6PY 0.00116 -0.08493 -0.07320 -0.10938 0.06182 12 6PZ 0.00169 -0.07682 0.01980 -0.31223 0.27266 13 7D 0 -0.00377 -0.08152 -0.05474 -0.03354 -0.07375 14 7D+1 0.01876 -0.12888 -0.05428 -0.15403 0.03447 15 7D-1 0.12162 0.15269 0.09497 -0.18451 -0.02076 16 7D+2 -0.04904 0.00217 -0.02577 0.00135 0.04999 17 7D-2 -0.16657 0.10108 0.06834 -0.14633 0.02690 18 8D 0 0.04361 0.17835 0.12530 0.11001 0.22770 19 8D+1 -0.05292 0.29128 0.12346 0.40670 -0.10541 20 8D-1 -0.24339 -0.32041 -0.21329 0.46394 0.05797 21 8D+2 0.07893 -0.00595 0.06045 0.01979 -0.15175 22 8D-2 0.34242 -0.20938 -0.15428 0.36219 -0.06433 23 2 Cu 1S 0.08072 0.02491 0.02610 0.00157 0.00280 24 2S 0.14021 0.05105 0.04412 0.06172 -0.13307 25 3S -1.74741 -0.49480 -0.38141 0.71880 -1.77168 26 4PX -0.00766 -0.00573 -0.01996 0.00039 -0.00177 27 4PY -0.00392 0.00115 0.01152 -0.00190 -0.01804 28 4PZ 0.00758 -0.01166 -0.00519 -0.01367 0.01464 29 5PX 0.30943 0.14181 0.08999 -0.49650 1.01807 30 5PY 0.20570 0.00620 0.10468 -1.14725 -0.26924 31 5PZ -0.20078 -0.08288 -0.07636 -0.91914 -0.95931 32 6PX 0.19705 0.06986 0.04629 -0.39126 0.86335 33 6PY 0.15275 0.06593 0.10014 -0.43650 -0.31998 34 6PZ -0.18646 -0.08354 -0.06144 -0.62731 -0.05927 35 7D 0 0.07637 -0.01656 0.00060 0.20656 0.09223 36 7D+1 -0.13525 -0.09776 -0.09152 -0.03622 -0.10285 37 7D-1 0.13393 0.13834 0.06491 -0.01982 0.04649 38 7D+2 -0.09051 -0.07714 0.01716 0.07483 0.10531 39 7D-2 0.18125 0.07255 0.07118 -0.09956 0.03141 40 8D 0 -0.14893 0.01192 -0.01114 -0.61021 -0.25211 41 8D+1 0.30689 0.20524 0.20200 0.07168 0.27934 42 8D-1 -0.28662 -0.27910 -0.12470 0.03529 -0.10266 43 8D+2 0.19529 0.15668 -0.00167 -0.20670 -0.33738 44 8D-2 -0.37900 -0.17734 -0.15233 0.25152 -0.11392 45 3 Cu 1S -0.08079 0.02511 0.02424 0.00040 -0.00390 46 2S -0.13894 0.05083 0.03857 0.06886 0.12555 47 3S 1.74994 -0.50798 -0.37649 0.85127 1.71985 48 4PX -0.00904 -0.00858 0.00397 -0.01377 -0.00961 49 4PY 0.00658 0.00175 0.00756 0.00158 0.02009 50 4PZ 0.00421 -0.00955 -0.02178 -0.00487 -0.00605 51 5PX 0.24636 -0.11742 -0.08601 -0.81024 1.33859 52 5PY -0.29386 0.05152 0.13151 -1.07074 0.00348 53 5PZ -0.17987 0.10494 0.04241 -0.66481 -0.58689 54 6PX 0.20113 -0.08887 -0.05230 -0.51490 0.43765 55 6PY -0.21563 0.09058 0.11019 -0.40149 0.15863 56 6PZ -0.09268 0.02182 0.01100 -0.59027 -0.77940 57 7D 0 0.21633 -0.13963 -0.05874 -0.00585 0.02406 58 7D+1 -0.00235 -0.05341 -0.06013 0.04925 0.04387 59 7D-1 -0.17685 0.09768 0.09363 -0.09068 -0.06801 60 7D+2 -0.04394 0.00380 0.03573 0.19957 -0.16844 61 7D-2 -0.04015 0.10602 0.01005 -0.06146 0.04483 62 8D 0 -0.46835 0.30166 0.15605 0.02261 -0.03337 63 8D+1 -0.01780 0.09472 0.11732 -0.18388 -0.12026 64 8D-1 0.37120 -0.22263 -0.18351 0.23115 0.21992 65 8D+2 0.08955 -0.01619 -0.06432 -0.57213 0.47133 66 8D-2 0.08882 -0.19958 -0.01402 0.15821 -0.16233 67 4 Cu 1S 0.00077 0.02411 0.01171 0.03516 -0.00144 68 2S 0.00020 0.10468 0.15768 0.08283 -0.00248 69 3S -0.03913 -0.19440 0.86483 -0.25172 0.02693 70 4PX -0.00535 -0.00225 0.00910 -0.01386 0.02500 71 4PY 0.00082 -0.01508 0.00033 -0.02807 -0.00278 72 4PZ 0.00343 -0.00049 0.01295 -0.01629 -0.01661 73 5PX 0.26083 -0.12063 -0.40001 -0.45319 0.87412 74 5PY -0.03326 0.69425 0.51796 -0.34832 -0.11323 75 5PZ -0.18235 -0.31667 -0.68019 -0.62950 -0.55989 76 6PX 0.15333 0.13136 -0.04390 -0.11530 0.24683 77 6PY -0.02030 0.14304 0.08231 -0.34477 -0.02302 78 6PZ -0.09417 0.15635 -0.08934 -0.10690 -0.17015 79 7D 0 0.06738 -0.04612 -0.04224 -0.07744 -0.13740 80 7D+1 -0.02375 0.04966 -0.18870 0.00304 0.06089 81 7D-1 0.02726 0.09325 0.10395 -0.02331 0.01104 82 7D+2 -0.04838 -0.07538 0.08689 -0.12572 0.07660 83 7D-2 -0.01972 0.09991 0.02849 0.02135 -0.05101 84 8D 0 -0.13927 0.09766 0.09115 0.23498 0.42265 85 8D+1 0.04753 -0.12541 0.40101 -0.01971 -0.18501 86 8D-1 -0.05983 -0.15203 -0.19035 0.07013 -0.01816 87 8D+2 0.10269 0.18761 -0.17119 0.38714 -0.24206 88 8D-2 0.04828 -0.19044 -0.04350 -0.06928 0.13490 89 5 Cu 1S -0.02242 -0.00327 -0.03448 0.11399 0.17249 90 2S -0.03829 -0.02143 -0.05996 0.14401 0.19135 91 3S 0.44715 -0.12079 0.12132 -2.09276 -3.73095 92 4PX 0.01089 0.00908 -0.00875 -0.01102 -0.02323 93 4PY 0.00071 0.01385 -0.00627 0.01374 0.02234 94 4PZ 0.00733 0.00427 0.01456 0.01663 0.02875 95 5PX -0.10109 0.02427 0.03539 0.22141 0.96062 96 5PY 0.14188 -0.20250 0.10284 -0.80795 -0.94538 97 5PZ -0.07820 -0.03688 -0.23653 -0.40994 -0.66254 98 6PX -0.09936 0.02164 -0.03147 0.36995 0.07102 99 6PY 0.10958 -0.05024 -0.03087 0.04673 -0.42820 100 6PZ 0.10490 0.01781 0.06365 0.09512 -0.05163 101 7D 0 0.02565 0.04572 0.00851 -0.00659 -0.02971 102 7D+1 0.06843 0.11601 -0.19724 -0.05833 -0.11451 103 7D-1 0.12199 0.16899 0.09554 0.11672 0.12890 104 7D+2 0.03993 -0.05998 0.07264 -0.09066 -0.00014 105 7D-2 0.14857 -0.06060 0.09885 -0.08291 -0.15994 106 8D 0 -0.04962 -0.09587 -0.02161 0.03107 0.09229 107 8D+1 -0.14905 -0.23887 0.42461 0.15086 0.28044 108 8D-1 -0.24515 -0.36702 -0.20937 -0.29397 -0.32627 109 8D+2 -0.11177 0.09721 -0.14710 0.26460 -0.00497 110 8D-2 -0.31378 0.14328 -0.23319 0.20806 0.43075 111 6 Cu 1S -0.00180 -0.04930 0.00284 0.01715 -0.00132 112 2S -0.00212 -0.08799 -0.03584 -0.10700 0.00405 113 3S 0.04301 0.97325 -0.47411 -2.06847 0.09866 114 4PX -0.00416 -0.00223 0.00055 0.01285 0.00856 115 4PY 0.00030 0.00505 0.02004 -0.01151 -0.00099 116 4PZ 0.00240 -0.00461 -0.00341 0.01980 -0.00739 117 5PX 0.02961 0.07713 -0.13566 -0.55622 1.27435 118 5PY -0.00293 0.08210 -0.06814 -0.80694 -0.15727 119 5PZ -0.00621 0.09097 -0.17153 -0.72158 -0.84390 120 6PX 0.03256 0.08523 -0.06691 -0.14628 0.74042 121 6PY -0.00478 0.01931 0.06556 -0.92580 -0.07473 122 6PZ -0.01424 0.11092 -0.10285 -0.08718 -0.50668 123 7D 0 0.04995 -0.04637 0.04280 0.00360 0.20451 124 7D+1 -0.02942 0.09886 -0.11496 -0.01078 -0.08258 125 7D-1 -0.05259 -0.06016 0.13482 0.10461 0.02909 126 7D+2 -0.00997 -0.15912 0.19051 0.02518 -0.12247 127 7D-2 0.08342 0.01668 0.02658 0.06362 0.00437 128 8D 0 -0.09740 0.09200 -0.11330 -0.00355 -0.58833 129 8D+1 0.05429 -0.21853 0.23412 -0.00222 0.24406 130 8D-1 0.08366 0.14209 -0.27777 -0.31351 -0.04977 131 8D+2 0.02913 0.33773 -0.43312 -0.04394 0.33707 132 8D-2 -0.13675 -0.02677 -0.04207 -0.20796 -0.05764 133 7 Cu 1S 0.02396 -0.00458 -0.03358 0.09905 -0.18373 134 2S 0.04075 -0.02325 -0.05916 0.12619 -0.20738 135 3S -0.46350 -0.10368 0.10408 -1.76998 3.86553 136 4PX -0.00344 0.00402 0.01518 0.01837 -0.03977 137 4PY -0.00123 0.01468 -0.00986 0.00789 -0.01388 138 4PZ -0.01243 0.00848 -0.00232 -0.00517 0.01517 139 5PX 0.01156 -0.08154 -0.21387 -0.52086 1.14944 140 5PY -0.13853 -0.18214 0.13685 -0.62038 0.68035 141 5PZ 0.15069 0.03137 -0.05850 0.11253 -0.80355 142 6PX -0.15159 0.00122 0.06234 -0.00870 0.15127 143 6PY -0.07630 -0.04509 -0.04892 0.13673 0.38641 144 6PZ 0.07279 0.03251 0.00120 0.35651 -0.13941 145 7D 0 -0.01322 0.00591 -0.09062 -0.08360 0.03605 146 7D+1 -0.07929 0.10680 -0.14752 -0.03680 0.14978 147 7D-1 -0.18520 -0.01878 0.15172 -0.04857 0.08926 148 7D+2 -0.01920 0.04468 0.09883 0.01939 -0.09328 149 7D-2 -0.05942 0.19881 -0.00929 0.12205 -0.14510 150 8D 0 0.05193 -0.03422 0.20791 0.23590 -0.07321 151 8D+1 0.16298 -0.20868 0.30919 0.09336 -0.38916 152 8D-1 0.39577 0.03909 -0.34200 0.13033 -0.24655 153 8D+2 0.04445 -0.11678 -0.20637 -0.02342 0.22935 154 8D-2 0.10954 -0.42354 0.02022 -0.31736 0.37923 155 8 C 1S -0.00002 0.00549 0.01572 -0.01024 0.00073 156 2S -0.01023 -0.37149 -0.37858 -0.14292 0.00948 157 3S 0.02289 0.90095 0.80664 0.26986 -0.02359 158 4PX 0.01363 0.00535 0.05199 -0.02045 0.00028 159 4PY -0.00017 -0.08067 -0.22705 0.08101 -0.00594 160 4PZ -0.01101 0.02786 0.13006 -0.04690 0.00583 161 5PX -0.16329 -0.12903 -0.10604 -0.14664 0.18835 162 5PY 0.02757 0.11198 0.25556 -0.04369 -0.03299 163 5PZ 0.10989 -0.21691 -0.20519 -0.22838 -0.12000 164 9 O 1S 0.00017 0.00359 0.00104 0.00927 -0.00048 165 2S -0.00284 -0.03450 0.02554 -0.15585 0.00864 166 3S 0.00168 -0.06113 -0.15300 0.20944 -0.01172 167 4PX -0.02705 0.00327 -0.01220 -0.02717 0.03784 168 4PY 0.00625 0.00327 -0.04189 -0.04081 -0.00636 169 4PZ 0.01934 0.00288 -0.00577 -0.03774 -0.02634 170 5PX 0.08286 0.02355 0.05332 0.08036 -0.12524 171 5PY -0.01439 -0.03987 -0.08510 0.20880 0.01376 172 5PZ -0.05941 0.04687 0.09262 0.08833 0.08750 156 157 158 159 160 V V V V V EIGENVALUES -- 1.22092 1.25200 1.28837 1.29298 1.29614 1 1 Cu 1S 0.04511 0.00216 -0.00019 0.01455 -0.00104 2 2S 0.06935 0.00307 0.00099 -0.02284 -0.00811 3 3S -0.15121 -0.01628 0.01646 -0.66215 -0.07097 4 4PX -0.00272 0.00378 -0.01830 -0.00546 -0.01289 5 4PY 0.01213 -0.00078 0.00345 -0.01457 0.00065 6 4PZ -0.00650 -0.00289 0.01300 -0.00540 0.00751 7 5PX 0.05675 0.18033 0.22376 -0.06263 0.71782 8 5PY -0.11967 -0.01791 -0.05915 0.75543 -0.03822 9 5PZ 0.12534 -0.12535 -0.14757 -0.14941 -0.50765 10 6PX 0.00756 -0.07342 -0.11840 0.21884 -0.65867 11 6PY 0.04504 0.00775 0.03265 -0.42902 0.06460 12 6PZ -0.00945 0.05791 0.06645 0.29975 0.49828 13 7D 0 0.05392 -0.02237 -0.11596 -0.10081 -0.21829 14 7D+1 -0.01423 0.00640 0.04969 -0.02185 0.08048 15 7D-1 0.00591 -0.01673 -0.02749 0.01835 -0.07088 16 7D+2 0.09504 0.01782 0.08095 -0.17960 0.12764 17 7D-2 -0.02838 0.01943 0.00411 0.05741 0.05262 18 8D 0 -0.13493 0.07622 0.30241 0.28968 0.64586 19 8D+1 0.02050 -0.02295 -0.13056 0.08009 -0.23681 20 8D-1 -0.01322 0.05453 0.07451 -0.05688 0.20573 21 8D+2 -0.22459 -0.05974 -0.21364 0.50871 -0.37668 22 8D-2 0.06730 -0.06119 -0.01361 -0.16340 -0.14910 23 2 Cu 1S 0.00261 -0.03447 0.03994 0.00558 0.03757 24 2S -0.01783 -0.09591 0.10222 0.00773 0.11151 25 3S -0.53273 -0.56379 0.23043 -0.09441 0.41813 26 4PX 0.00197 0.00648 0.00011 -0.01290 0.03192 27 4PY -0.01235 -0.02358 0.00190 0.02277 0.02200 28 4PZ 0.01542 0.02090 -0.01829 0.01732 0.01540 29 5PX 0.06366 -0.00595 -0.00609 0.52788 -1.01758 30 5PY 0.42926 0.27611 -0.22679 -0.34795 -0.49554 31 5PZ -0.12297 -0.55564 0.25365 -0.20403 -0.33742 32 6PX 0.16469 0.19562 -0.11648 -0.24979 0.55678 33 6PY 0.02875 -0.01726 0.10240 0.43723 0.49111 34 6PZ 0.05626 0.20034 -0.07351 0.30537 0.62253 35 7D 0 -0.01058 0.12163 0.00180 0.04245 0.19921 36 7D+1 -0.07568 0.04588 0.19880 0.01492 0.12013 37 7D-1 -0.09359 -0.22757 0.09612 0.01291 0.09576 38 7D+2 -0.08305 -0.08358 0.05824 0.15431 -0.11030 39 7D-2 -0.00794 0.12905 0.15567 0.11364 -0.09492 40 8D 0 0.03966 -0.32579 -0.01830 -0.12135 -0.56784 41 8D+1 0.19164 -0.11908 -0.53824 -0.07009 -0.35067 42 8D-1 0.23660 0.58743 -0.26359 -0.02248 -0.28069 43 8D+2 0.21603 0.20264 -0.16696 -0.44228 0.31473 44 8D-2 0.01718 -0.33686 -0.42753 -0.35256 0.24818 45 3 Cu 1S 0.00268 0.03720 -0.04332 0.01045 -0.03554 46 2S -0.01784 0.10098 -0.11040 0.02143 -0.10770 47 3S -0.55855 0.54437 -0.23287 -0.06988 -0.44710 48 4PX 0.01179 -0.01196 0.01489 0.02666 -0.00386 49 4PY -0.01448 0.02454 -0.00640 0.01980 -0.02235 50 4PZ 0.00968 -0.01629 0.00717 -0.00244 -0.03271 51 5PX -0.06701 0.44698 -0.16236 -0.43237 0.01313 52 5PY 0.44948 -0.33506 0.28700 -0.25703 0.60868 53 5PZ -0.06255 0.23907 -0.15076 0.28361 1.05325 54 6PX 0.02238 -0.11250 -0.02048 0.48752 -0.40721 55 6PY 0.06720 0.01909 -0.11386 0.37680 -0.43770 56 6PZ 0.17722 -0.24577 0.16680 -0.05354 -0.67631 57 7D 0 -0.09300 0.08191 -0.11759 0.05723 0.07158 58 7D+1 -0.02670 -0.16907 -0.16618 0.04494 -0.19841 59 7D-1 -0.06099 0.01027 -0.18848 0.11462 0.12845 60 7D+2 -0.05727 0.07145 0.02478 0.08951 -0.10267 61 7D-2 -0.08091 0.22820 -0.06983 -0.05268 -0.13512 62 8D 0 0.23636 -0.20585 0.32102 -0.17666 -0.20805 63 8D+1 0.07234 0.44053 0.45891 -0.15744 0.57135 64 8D-1 0.15268 -0.02034 0.52248 -0.35148 -0.34871 65 8D+2 0.15657 -0.17022 -0.05441 -0.23477 0.29013 66 8D-2 0.20015 -0.59474 0.18286 0.16231 0.38945 67 4 Cu 1S -0.03854 -0.00281 0.00154 -0.03161 -0.00155 68 2S -0.07797 -0.00619 0.00465 -0.10010 -0.00507 69 3S 0.46221 0.02611 -0.00274 -0.02727 -0.01066 70 4PX -0.00867 -0.00659 0.01123 -0.02638 0.01485 71 4PY 0.00958 0.00132 -0.00075 -0.03294 -0.00605 72 4PZ -0.01443 0.00291 -0.00610 -0.02852 -0.01439 73 5PX 0.05962 0.20809 -0.36187 0.70797 -0.52758 74 5PY 0.24062 -0.01222 0.02655 0.93479 0.18834 75 5PZ 0.01975 -0.13468 0.21574 0.74575 0.48242 76 6PX -0.09030 -0.21453 0.23957 -0.33487 0.37160 77 6PY -0.11026 0.02432 -0.01514 -0.52548 -0.10696 78 6PZ -0.10713 0.14039 -0.14794 -0.30232 -0.30610 79 7D 0 0.12570 -0.06602 0.06656 0.12303 0.10609 80 7D+1 0.27483 0.06201 -0.03970 0.05257 -0.03656 81 7D-1 0.05698 0.15919 -0.04672 -0.09050 -0.00699 82 7D+2 0.04381 -0.03142 -0.01785 0.15153 -0.03233 83 7D-2 0.06400 -0.24508 0.09454 -0.09802 0.02118 84 8D 0 -0.32357 0.17257 -0.18676 -0.34286 -0.30587 85 8D+1 -0.72743 -0.16683 0.11152 -0.14277 0.10673 86 8D-1 -0.14246 -0.44000 0.13353 0.25162 0.02105 87 8D+2 -0.09906 0.09301 0.04899 -0.42651 0.09434 88 8D-2 -0.16899 0.67501 -0.26810 0.27428 -0.06285 89 5 Cu 1S 0.01218 -0.00145 -0.00073 -0.00118 -0.01064 90 2S 0.02789 -0.00974 0.01139 0.00378 0.01110 91 3S -0.07876 0.15467 0.03456 0.07472 0.33043 92 4PX 0.00948 0.00804 0.01437 0.01408 -0.00596 93 4PY 0.00094 0.01208 0.00631 0.00492 -0.01183 94 4PZ 0.01718 -0.01499 0.00750 0.00717 -0.00201 95 5PX 0.05885 -0.08361 -0.21836 -0.44713 0.10457 96 5PY 0.14375 -0.12880 -0.15500 -0.47803 0.04469 97 5PZ -0.19291 0.17989 0.01224 0.13959 0.33158 98 6PX 0.00433 0.07131 0.05822 0.33672 -0.18775 99 6PY -0.04921 0.09203 0.09407 0.37632 0.14837 100 6PZ 0.03280 -0.01723 -0.05860 -0.12400 -0.22819 101 7D 0 0.08539 -0.10750 0.00706 -0.03913 -0.06920 102 7D+1 -0.05361 0.03265 -0.01090 0.03661 0.00553 103 7D-1 0.01950 -0.01795 0.02013 0.05749 -0.01487 104 7D+2 -0.00133 -0.08244 -0.12384 -0.18854 0.06985 105 7D-2 0.01077 0.03033 0.04494 0.05395 -0.03060 106 8D 0 -0.20619 0.26217 -0.00456 0.12847 0.20334 107 8D+1 0.13759 -0.07956 0.01711 -0.10957 -0.02499 108 8D-1 -0.04107 0.04791 -0.05521 -0.15624 0.05482 109 8D+2 -0.01996 0.21418 0.32792 0.54270 -0.17564 110 8D-2 -0.02732 -0.06862 -0.12073 -0.14245 0.09088 111 6 Cu 1S 0.08436 0.00444 -0.00100 0.06729 0.00345 112 2S 0.21665 0.01040 -0.00344 0.20546 0.01279 113 3S 0.76909 0.00542 -0.01351 0.62330 0.06632 114 4PX -0.02212 -0.00073 -0.01320 -0.01329 -0.01796 115 4PY 0.01795 0.00014 0.00346 -0.03030 0.00039 116 4PZ -0.03560 -0.00064 0.00963 -0.01482 0.01048 117 5PX 0.41478 0.00868 0.04417 0.43329 -0.16297 118 5PY -0.13053 0.00150 -0.04473 0.75839 0.09363 119 5PZ 0.60373 0.01528 -0.04748 0.45717 0.18101 120 6PX -0.06219 0.14229 -0.14384 -0.11294 0.03935 121 6PY 0.27129 -0.02064 0.04882 -0.43535 -0.03604 122 6PZ -0.13978 -0.11146 0.10641 -0.07936 -0.03536 123 7D 0 -0.18358 0.00372 0.02874 -0.02823 -0.00620 124 7D+1 -0.29992 -0.01015 0.01807 -0.16915 -0.02650 125 7D-1 0.08616 0.01274 0.16881 -0.11364 -0.09873 126 7D+2 -0.07726 -0.00943 -0.08883 0.02701 0.04232 127 7D-2 0.05455 -0.01286 -0.21344 -0.14036 0.11327 128 8D 0 0.44836 -0.00875 -0.06708 0.07299 0.03917 129 8D+1 0.74040 0.02577 -0.05539 0.47713 0.07101 130 8D-1 -0.20764 -0.03159 -0.46460 0.30543 0.31754 131 8D+2 0.18579 0.02275 0.23889 -0.08811 -0.14963 132 8D-2 -0.12941 0.03221 0.58994 0.39469 -0.36828 133 7 Cu 1S 0.01059 0.00339 0.00016 -0.00324 0.00737 134 2S 0.02574 0.01311 -0.01202 0.00159 -0.01514 135 3S -0.03696 -0.15976 -0.02928 0.09707 -0.28940 136 4PX 0.01230 0.01514 -0.00410 0.00261 0.00229 137 4PY 0.00078 -0.01571 -0.00840 0.00457 0.01351 138 4PZ 0.01492 0.00044 -0.01615 0.01253 0.00690 139 5PX -0.15034 -0.17782 -0.05703 0.20663 -0.23772 140 5PY 0.17417 0.16571 0.24425 -0.54355 -0.11524 141 5PZ -0.03982 -0.01219 0.20408 -0.22394 -0.24834 142 6PX 0.01888 0.01842 0.06478 -0.16163 0.09357 143 6PY -0.03890 -0.10147 -0.14923 0.44486 -0.06017 144 6PZ 0.02301 -0.04328 -0.04099 0.14776 0.29837 145 7D 0 -0.06288 0.00743 0.12217 -0.09418 -0.10126 146 7D+1 0.01021 0.00696 -0.04334 0.04768 0.06870 147 7D-1 0.01296 0.00179 -0.00684 0.00474 0.00442 148 7D+2 0.07204 0.14315 0.06594 -0.12097 -0.00898 149 7D-2 -0.01672 -0.02835 -0.04168 0.09688 0.02335 150 8D 0 0.13971 -0.02561 -0.31477 0.26293 0.27904 151 8D+1 -0.01345 -0.01443 0.11667 -0.13177 -0.18494 152 8D-1 -0.03800 -0.01475 0.01948 0.00241 -0.02565 153 8D+2 -0.18412 -0.35477 -0.19099 0.36174 0.00650 154 8D-2 0.05363 0.06990 0.11927 -0.27746 -0.06711 155 8 C 1S 0.00786 0.00044 0.00008 -0.00302 -0.00012 156 2S -0.08287 -0.00504 -0.00237 0.05853 0.00018 157 3S 0.24706 0.01781 -0.00361 0.08420 0.01267 158 4PX 0.04376 0.07931 -0.03110 -0.01230 0.00205 159 4PY 0.03539 -0.01008 0.00127 0.09906 0.00659 160 4PZ 0.05622 -0.05288 0.02415 -0.03429 -0.00234 161 5PX -0.03763 0.03386 0.02353 -0.05926 -0.01234 162 5PY 0.11632 -0.00209 -0.00120 -0.10540 -0.00798 163 5PZ -0.07561 -0.03438 -0.01228 -0.06648 -0.00145 164 9 O 1S -0.01108 -0.00080 0.00041 -0.00783 -0.00046 165 2S 0.13166 0.00946 -0.00481 0.09522 0.00535 166 3S -0.14026 -0.01026 0.00469 -0.10613 -0.00705 167 4PX -0.00701 0.01052 0.00124 0.00173 -0.01098 168 4PY 0.04100 0.00112 -0.00211 0.04204 0.00528 169 4PZ -0.01895 -0.00972 0.00011 -0.00968 0.00775 170 5PX 0.00100 -0.06445 0.00874 -0.00451 0.02916 171 5PY -0.09591 0.00597 0.00026 -0.03998 -0.00849 172 5PZ 0.02015 0.04927 -0.00744 0.00655 -0.02226 161 162 163 164 165 V V V V V EIGENVALUES -- 1.31517 1.31892 1.32176 1.35699 1.55813 1 1 Cu 1S 0.00037 -0.05536 0.00312 -0.09646 -0.75127 2 2S 0.00080 -0.14448 0.00939 -0.21737 -1.56321 3 3S -0.00508 -0.07121 0.01426 0.06792 0.62647 4 4PX 0.01026 -0.00276 -0.00843 -0.00723 -0.00647 5 4PY -0.00123 -0.01097 0.00233 0.02328 -0.01627 6 4PZ -0.00742 -0.00099 0.00606 -0.01591 -0.00568 7 5PX 0.38632 -0.10830 -0.07809 0.10232 0.56649 8 5PY -0.08556 0.74906 -0.05520 -0.00213 0.42253 9 5PZ -0.24414 -0.31208 0.09202 0.16286 0.72021 10 6PX -0.43367 0.04374 0.11183 -0.05887 -0.18125 11 6PY 0.08588 -0.48638 0.02333 -0.06867 0.00460 12 6PZ 0.29268 0.16381 -0.09438 -0.08323 -0.27825 13 7D 0 -0.06502 -0.13176 -0.00694 0.07138 0.00856 14 7D+1 0.03041 -0.02522 0.01095 0.05060 0.05069 15 7D-1 -0.01736 0.03659 -0.00293 -0.00005 0.06747 16 7D+2 0.05285 -0.18493 0.02697 0.07572 -0.00082 17 7D-2 0.00205 0.08039 -0.01238 -0.01953 0.05454 18 8D 0 0.23985 0.38865 -0.00054 -0.17565 -0.04738 19 8D+1 -0.10930 0.07815 -0.02478 -0.12715 -0.17184 20 8D-1 0.06023 -0.09148 -0.00291 -0.00783 -0.21357 21 8D+2 -0.18474 0.54835 -0.06436 -0.18309 -0.02262 22 8D-2 -0.00683 -0.22464 0.04385 0.04162 -0.16574 23 2 Cu 1S -0.02718 0.00358 0.00122 -0.02930 -0.03302 24 2S -0.06904 0.00532 -0.01439 -0.07825 0.03752 25 3S -0.05283 -0.05639 -0.24001 -0.55166 0.97288 26 4PX -0.00864 0.01182 0.00974 -0.01288 0.01688 27 4PY 0.01908 0.00697 -0.01868 0.00457 0.01261 28 4PZ 0.01753 0.00508 -0.01627 0.01231 -0.02388 29 5PX 0.06513 -0.51762 -0.53068 0.21239 0.07459 30 5PY -0.85803 -0.20228 0.85536 0.21535 -0.33648 31 5PZ -0.97592 -0.51145 0.31516 -0.45233 0.77706 32 6PX -0.04526 0.42791 0.52809 -0.06632 -0.32535 33 6PY 1.05029 0.11162 -0.82399 0.04062 -0.37706 34 6PZ 1.09594 0.40260 -0.42133 0.28986 -0.00013 35 7D 0 0.16697 0.09603 -0.02522 0.04409 -0.06662 36 7D+1 -0.10791 -0.00612 0.09702 -0.05366 -0.00659 37 7D-1 0.00336 0.01848 -0.01662 -0.19704 -0.05670 38 7D+2 0.10981 -0.09520 -0.19019 0.02427 0.03756 39 7D-2 -0.06598 -0.07377 0.03251 0.06064 -0.00730 40 8D 0 -0.48727 -0.28724 0.06929 -0.12834 0.22013 41 8D+1 0.32902 0.03383 -0.28991 0.13627 0.02838 42 8D-1 0.00144 -0.03666 0.06958 0.59223 0.17156 43 8D+2 -0.30837 0.27896 0.55468 -0.07025 -0.12836 44 8D-2 0.22112 0.23500 -0.09616 -0.17757 0.01483 45 3 Cu 1S 0.02903 0.00363 0.00014 -0.02992 -0.03514 46 2S 0.07429 0.00810 0.01967 -0.07900 0.03301 47 3S 0.05984 -0.01851 0.25853 -0.51866 0.97215 48 4PX -0.02378 0.00498 0.02113 0.01635 -0.02511 49 4PY -0.01503 0.00967 0.01285 0.00096 0.01891 50 4PZ 0.00417 0.01083 -0.00823 -0.00782 0.00549 51 5PX 1.14100 -0.39884 -0.56817 -0.43085 0.62247 52 5PY 0.70537 -0.30638 -0.64271 0.29294 -0.41914 53 5PZ 0.19393 -0.51774 0.61021 -0.00648 0.38052 54 6PX -1.26602 0.31581 0.68086 0.30267 0.02561 55 6PY -0.87062 0.20641 0.60393 -0.00446 -0.43730 56 6PZ -0.21952 0.41659 -0.54480 0.03794 -0.22364 57 7D 0 0.02357 -0.06963 0.09736 -0.02278 0.04989 58 7D+1 0.02612 0.03964 -0.12629 0.00730 -0.05008 59 7D-1 0.03026 -0.08230 0.06107 -0.01088 -0.00909 60 7D+2 -0.22822 0.06379 0.14122 -0.01765 -0.04424 61 7D-2 0.06962 0.03159 -0.06204 -0.20861 -0.04096 62 8D 0 -0.07822 0.20945 -0.28067 0.05421 -0.16080 63 8D+1 -0.08964 -0.10353 0.37487 -0.03825 0.17001 64 8D-1 -0.12198 0.26024 -0.18907 0.03822 0.01470 65 8D+2 0.66807 -0.19557 -0.41561 0.06343 0.13978 66 8D-2 -0.20620 -0.08128 0.16120 0.61802 0.12778 67 4 Cu 1S 0.00013 -0.00774 0.00054 0.04749 0.34296 68 2S 0.00038 -0.01942 0.00141 0.19553 0.78210 69 3S 0.00359 -0.08482 0.00683 -0.02369 -1.24060 70 4PX -0.01643 -0.02949 -0.04662 0.00835 0.01756 71 4PY 0.00453 -0.04515 0.01151 -0.04217 -0.02037 72 4PZ 0.01355 -0.02118 0.03703 0.02115 0.02931 73 5PX 0.42295 0.78868 1.39669 -0.15006 0.02908 74 5PY -0.11730 1.23279 -0.33621 1.29391 -0.71064 75 5PZ -0.34352 0.53190 -1.08739 -0.51625 0.22794 76 6PX -0.43712 -0.39182 -0.96172 -0.06305 -0.04131 77 6PY 0.09322 -0.56372 0.18925 -0.25659 -0.29909 78 6PZ 0.32919 -0.18408 0.70933 -0.01792 0.01865 79 7D 0 -0.07885 0.10101 -0.27210 -0.00032 0.03181 80 7D+1 0.02956 -0.01243 0.10716 -0.09468 0.04355 81 7D-1 -0.01809 -0.04712 -0.04755 0.28468 -0.05606 82 7D+2 0.03897 0.23061 0.13853 0.15347 0.00708 83 7D-2 0.01156 -0.09853 0.01142 0.14203 -0.03855 84 8D 0 0.22521 -0.28588 0.78827 -0.00860 -0.10283 85 8D+1 -0.08463 0.03620 -0.31040 0.25957 -0.12681 86 8D-1 0.04977 0.13774 0.13903 -0.79981 0.14496 87 8D+2 -0.11107 -0.65653 -0.40355 -0.44381 -0.04346 88 8D-2 -0.03037 0.28247 -0.03517 -0.39492 0.10776 89 5 Cu 1S 0.00241 -0.02537 -0.02156 -0.10482 -0.40440 90 2S 0.01591 -0.05629 -0.07318 -0.20289 -0.83098 91 3S 0.21570 -0.04478 -0.17515 0.38847 -0.60701 92 4PX -0.00357 -0.01038 -0.00027 0.00272 -0.00439 93 4PY -0.00662 -0.00365 0.00546 0.00965 0.00937 94 4PZ -0.00056 -0.00030 0.00657 -0.02001 0.00790 95 5PX -0.71767 0.35188 -0.01127 -0.02222 0.35182 96 5PY -0.16559 -0.07634 0.37240 -0.31251 -0.38973 97 5PZ -0.34122 0.28687 -0.80088 0.37032 -0.42719 98 6PX 0.68152 -0.24096 -0.01835 -0.02726 0.01819 99 6PY 0.31064 -0.06674 -0.38334 0.22359 0.21720 100 6PZ 0.36808 -0.24254 0.65954 -0.18310 0.10777 101 7D 0 0.09695 -0.08922 0.21448 -0.14417 0.02968 102 7D+1 -0.01928 0.01752 -0.08324 0.05741 -0.04925 103 7D-1 0.03868 -0.02857 0.05615 -0.01592 0.04990 104 7D+2 -0.14265 0.10484 0.04511 -0.08383 -0.00505 105 7D-2 0.07957 -0.05709 0.01423 -0.03698 -0.00925 106 8D 0 -0.28706 0.26775 -0.65600 0.41066 -0.08367 107 8D+1 0.06365 -0.06325 0.24076 -0.15655 0.14436 108 8D-1 -0.12411 0.07451 -0.15929 0.03439 -0.14326 109 8D+2 0.47644 -0.29818 -0.15744 0.23497 0.01464 110 8D-2 -0.25863 0.16619 -0.04397 0.09707 0.03752 111 6 Cu 1S -0.00354 0.06136 -0.00536 -0.05735 -0.20426 112 2S -0.00975 0.17686 -0.01549 -0.11486 -0.32994 113 3S -0.01250 0.26106 -0.02715 0.26740 1.22300 114 4PX 0.03656 0.00124 0.01009 -0.00089 -0.01564 115 4PY -0.00581 0.02202 -0.00373 0.00533 -0.00370 116 4PZ -0.02520 -0.00807 -0.00652 -0.00325 -0.02090 117 5PX -1.57537 -0.05570 -0.25417 -0.01916 0.27062 118 5PY 0.26914 -1.11801 0.14105 0.07346 -0.16977 119 5PZ 1.09110 0.32717 0.15251 -0.03832 0.41326 120 6PX 1.58704 0.14951 0.28326 0.10179 0.29523 121 6PY -0.26418 0.83330 -0.12269 0.13903 -0.13400 122 6PZ -1.11239 -0.14276 -0.19643 0.10294 0.48161 123 7D 0 -0.27310 -0.09531 -0.01272 0.01700 -0.01257 124 7D+1 0.11683 0.06938 0.00601 0.07223 0.01003 125 7D-1 -0.01489 0.16607 0.00451 -0.02123 0.00908 126 7D+2 0.15363 -0.12339 0.01423 -0.02431 -0.02678 127 7D-2 -0.06005 0.16263 -0.04800 -0.00070 0.01607 128 8D 0 0.79878 0.27536 0.04068 -0.05123 0.03631 129 8D+1 -0.34019 -0.20153 -0.01869 -0.21187 -0.03922 130 8D-1 0.05433 -0.49065 -0.00998 0.07145 -0.03044 131 8D+2 -0.45331 0.35283 -0.04382 0.07318 0.08345 132 8D-2 0.16213 -0.47687 0.13744 0.00912 -0.05217 133 7 Cu 1S -0.00102 -0.02141 0.02178 -0.10618 -0.39133 134 2S -0.01242 -0.04404 0.07219 -0.20505 -0.80435 135 3S -0.20663 -0.03061 0.16818 0.39380 -0.69354 136 4PX 0.00052 0.00110 -0.00712 -0.01704 0.01078 137 4PY 0.00711 -0.00579 -0.00293 0.01213 0.00740 138 4PZ 0.00291 -0.00890 0.00032 -0.00563 -0.00316 139 5PX 0.10679 0.26635 0.62060 0.28975 -0.59620 140 5PY 0.27528 -0.11607 -0.47076 -0.35420 -0.24951 141 5PZ 0.73003 0.54075 0.25676 0.15861 0.23305 142 6PX -0.16960 -0.27640 -0.50548 -0.12067 0.13845 143 6PY -0.39158 -0.01047 0.48825 0.23639 0.18788 144 6PZ -0.69607 -0.39376 -0.20438 -0.12931 0.02870 145 7D 0 0.15958 0.15415 0.06233 0.02850 -0.04287 146 7D+1 -0.08853 -0.08842 -0.03061 -0.02340 -0.02464 147 7D-1 -0.02816 -0.02748 -0.03084 -0.05681 0.00998 148 7D+2 0.00625 -0.05334 -0.20969 -0.15264 0.05219 149 7D-2 -0.02442 -0.00714 0.03778 0.06176 0.03000 150 8D 0 -0.52153 -0.45472 -0.17141 -0.07833 0.12218 151 8D+1 0.27660 0.25517 0.10243 0.07220 0.07540 152 8D-1 0.08948 0.08120 0.09621 0.14911 -0.01934 153 8D+2 -0.04605 0.16950 0.64204 0.43098 -0.15281 154 8D-2 0.08737 0.00471 -0.12460 -0.18096 -0.08799 155 8 C 1S 0.00004 -0.00120 0.00009 0.01805 -0.02383 156 2S 0.00295 -0.07187 0.00738 -0.40806 0.20686 157 3S -0.00689 0.23693 -0.01774 0.85662 -1.99432 158 4PX -0.00699 0.02264 0.01042 0.09281 -0.07086 159 4PY -0.00179 0.06396 -0.00929 -0.31632 0.35588 160 4PZ 0.00367 0.01753 -0.01118 0.20737 -0.18784 161 5PX -0.02616 -0.15360 -0.14843 -0.02340 0.22847 162 5PY 0.01131 -0.16499 0.04257 0.04107 0.26448 163 5PZ 0.02950 -0.15537 0.13211 -0.04657 0.24437 164 9 O 1S 0.00001 -0.00208 0.00007 0.00589 0.05186 165 2S 0.00060 0.01674 0.00060 0.00548 -1.15655 166 3S -0.00047 -0.04956 0.00043 -0.26496 2.17651 167 4PX 0.00334 -0.00858 -0.01275 0.01362 0.03252 168 4PY -0.00088 0.00623 0.00127 -0.06842 0.01951 169 4PZ -0.00142 -0.01238 0.01082 0.03700 0.03818 170 5PX -0.00216 0.02535 0.04432 -0.02524 -0.21552 171 5PY -0.00194 0.04558 -0.01252 -0.09163 0.62714 172 5PZ -0.00028 0.01991 -0.03527 -0.01195 -0.45175 166 167 168 169 170 V V V V V EIGENVALUES -- 1.68386 1.80449 1.84356 2.21539 2.24845 1 1 Cu 1S -0.38859 -0.00191 0.40894 -0.01207 0.31943 2 2S -0.80404 -0.00418 0.89082 -0.02653 0.67837 3 3S -0.25160 0.01414 0.28308 0.08774 -1.22982 4 4PX -0.00863 -0.00892 0.01573 0.00565 0.00717 5 4PY -0.00390 0.00125 0.01390 -0.00080 0.00373 6 4PZ -0.01104 0.00613 0.01947 -0.00486 0.00871 7 5PX 0.40887 0.27286 -0.57862 0.06034 -0.34979 8 5PY 0.35779 -0.03750 -0.65444 -0.00305 -0.16994 9 5PZ 0.50094 -0.19131 -0.69891 -0.01430 -0.48057 10 6PX -0.12325 0.10958 0.25112 0.30743 0.12241 11 6PY 0.03927 -0.02019 0.24023 -0.04846 -0.19608 12 6PZ -0.18325 -0.08028 0.31783 -0.23439 0.18352 13 7D 0 0.03739 -0.08563 -0.02208 -0.04947 -0.04766 14 7D+1 0.04175 0.03132 -0.05861 0.02560 -0.04487 15 7D-1 0.04810 -0.04010 -0.06137 0.00239 -0.01869 16 7D+2 0.05204 0.06148 -0.01220 0.02926 -0.04536 17 7D-2 0.02399 0.03390 -0.04552 -0.01550 -0.00424 18 8D 0 -0.11958 0.26009 0.07044 0.17666 0.17035 19 8D+1 -0.13798 -0.09376 0.19971 -0.09030 0.16154 20 8D-1 -0.16204 0.13000 0.20262 -0.00492 0.08069 21 8D+2 -0.16413 -0.18987 0.03111 -0.10582 0.16499 22 8D-2 -0.08358 -0.11430 0.15361 0.04869 0.02349 23 2 Cu 1S 0.28144 -0.88208 -0.50437 -0.55133 -0.72665 24 2S 0.64610 -1.85554 -1.05930 -1.06148 -1.34896 25 3S -0.34815 1.36110 0.63039 1.05905 1.10537 26 4PX 0.00428 -0.01562 -0.01202 -0.00297 0.02162 27 4PY 0.01048 -0.01581 -0.01078 0.02540 0.02631 28 4PZ -0.01433 0.01271 0.00573 0.00771 -0.00066 29 5PX 0.08294 0.48705 0.43242 0.43489 -0.14308 30 5PY -0.32714 0.83660 0.21008 -0.21464 -0.35561 31 5PZ 0.22320 -0.40846 -0.50125 -0.41663 -0.27949 32 6PX -0.09594 -0.43645 -0.37581 -1.32928 -0.03682 33 6PY -0.02083 -0.52333 -0.13888 1.22289 -0.07185 34 6PZ -0.12267 0.10501 0.10072 0.22542 0.81914 35 7D 0 -0.03271 -0.02665 0.01995 0.02907 0.06463 36 7D+1 -0.00144 -0.06174 0.01445 -0.02013 0.00905 37 7D-1 -0.01964 0.04063 0.01667 -0.00289 -0.01750 38 7D+2 0.07534 -0.02882 0.02533 0.06371 -0.02035 39 7D-2 0.00322 0.02693 0.08543 0.01092 -0.01735 40 8D 0 0.10307 0.08824 -0.07633 -0.10261 -0.23121 41 8D+1 0.01562 0.20301 -0.05821 0.07660 -0.03064 42 8D-1 0.09023 -0.15594 -0.06577 0.00514 0.03897 43 8D+2 -0.25130 0.11534 -0.07994 -0.22423 0.07051 44 8D-2 -0.01370 -0.08425 -0.29432 -0.04648 0.05366 45 3 Cu 1S 0.30477 0.88774 -0.48698 0.63649 -0.65078 46 2S 0.69403 1.86444 -1.02341 1.21849 -1.20013 47 3S -0.41642 -1.38895 0.59193 -1.23644 1.04039 48 4PX -0.01285 -0.01340 0.00649 -0.01212 -0.00426 49 4PY 0.01330 0.01977 -0.01380 -0.02624 0.02798 50 4PZ -0.00237 0.00767 -0.00767 0.00174 0.01637 51 5PX 0.11452 0.36872 -0.53908 0.56859 -0.19907 52 5PY -0.34894 -0.95399 0.35985 0.10259 -0.35080 53 5PZ 0.19584 -0.20453 0.20419 -0.28435 -0.21567 54 6PX -0.09445 -0.14082 0.15395 -0.94503 0.64919 55 6PY -0.00773 0.61698 -0.23343 -0.83946 -0.30302 56 6PZ -0.11098 0.30136 -0.29821 1.29834 0.41645 57 7D 0 0.06509 0.05428 0.00112 -0.02128 -0.02593 58 7D+1 -0.03554 0.04932 0.03434 0.00851 0.04685 59 7D-1 0.02207 -0.03708 0.08677 -0.02464 -0.03732 60 7D+2 0.00600 0.00990 0.00399 -0.05577 0.02765 61 7D-2 -0.03238 -0.02643 -0.01604 0.03412 -0.01360 62 8D 0 -0.21056 -0.19338 -0.00062 0.06921 0.09488 63 8D+1 0.12131 -0.15967 -0.13008 -0.03287 -0.16660 64 8D-1 -0.06722 0.12046 -0.29867 0.09828 0.11788 65 8D+2 -0.01885 -0.03484 -0.01596 0.19818 -0.10562 66 8D-2 0.13492 0.11224 0.04655 -0.11686 0.03243 67 4 Cu 1S -0.15601 0.00221 0.08148 -0.03526 0.62720 68 2S -0.30225 0.00578 0.21613 -0.06691 1.17383 69 3S 2.44360 -0.00596 0.70479 0.09796 -2.06055 70 4PX 0.02235 0.01542 0.01685 -0.03758 0.02641 71 4PY -0.02341 -0.00236 0.01581 0.00765 -0.04371 72 4PZ 0.03584 -0.01176 0.02049 0.02250 0.05193 73 5PX -0.45477 -0.49198 -0.51406 0.58499 0.19641 74 5PY 0.34245 0.08953 -0.51566 -0.03039 -0.60951 75 5PZ -0.68762 0.34873 -0.61180 -0.46425 0.34013 76 6PX -0.04346 -0.24363 -0.19188 0.23385 -0.11976 77 6PY 0.63682 0.02766 -0.33597 -0.08445 0.72546 78 6PZ -0.22659 0.17548 -0.19134 -0.13849 -0.37978 79 7D 0 -0.02194 0.02842 -0.01123 -0.04624 -0.00661 80 7D+1 0.02272 -0.00753 0.02895 0.01583 0.01655 81 7D-1 -0.09971 0.03588 0.02497 -0.01899 -0.00582 82 7D+2 -0.08929 -0.02751 -0.03023 0.03410 -0.01747 83 7D-2 -0.04077 -0.03943 0.02920 0.01483 0.00455 84 8D 0 0.07063 -0.09819 0.02902 0.16032 0.02609 85 8D+1 -0.09105 0.02414 -0.12575 -0.05590 -0.04606 86 8D-1 0.35938 -0.13927 -0.10145 0.06914 -0.02725 87 8D+2 0.31254 0.10175 0.10102 -0.11674 0.04311 88 8D-2 0.14888 0.15743 -0.11302 -0.04902 -0.04191 89 5 Cu 1S -0.50465 0.50019 -0.35508 -1.03015 -0.42755 90 2S -1.07012 1.07099 -0.75408 -1.93631 -0.74725 91 3S -0.46773 -0.08770 -0.27814 3.37135 0.15263 92 4PX -0.01408 0.01315 -0.01789 0.02232 0.01130 93 4PY 0.01142 -0.02250 0.01137 -0.01694 -0.01803 94 4PZ 0.01095 -0.01050 0.00659 -0.02172 -0.00977 95 5PX 0.61755 -0.43182 0.71702 0.07588 0.08854 96 5PY -0.66976 0.92738 -0.32101 -0.21277 -0.00726 97 5PZ -0.55754 0.54383 -0.44456 -0.01531 0.00760 98 6PX -0.12729 0.18829 -0.04666 0.07536 -0.01777 99 6PY 0.00417 -0.38195 0.29076 0.60550 -0.21367 100 6PZ 0.03324 -0.15538 0.12278 -0.43560 -0.04411 101 7D 0 -0.04442 0.03754 -0.02257 0.00555 0.04488 102 7D+1 -0.04309 0.02382 -0.05313 0.01129 -0.02460 103 7D-1 0.05253 -0.07358 0.00909 0.00900 0.01023 104 7D+2 -0.00557 0.07519 0.08189 0.01718 0.00738 105 7D-2 -0.06019 0.05357 -0.06948 -0.01809 0.02608 106 8D 0 0.13938 -0.11803 0.06859 -0.00817 -0.14858 107 8D+1 0.14507 -0.07990 0.18167 -0.02916 0.08378 108 8D-1 -0.18299 0.24369 -0.02868 -0.04102 -0.03190 109 8D+2 0.02220 -0.24549 -0.25257 -0.05499 -0.02023 110 8D-2 0.19707 -0.18318 0.22516 0.08432 -0.07906 111 6 Cu 1S 0.26612 -0.00957 1.06959 0.05181 -0.95077 112 2S 0.58925 -0.02201 2.23585 0.09258 -1.72673 113 3S -0.22315 -0.01442 -1.47728 -0.18352 2.93982 114 4PX -0.00872 -0.00305 -0.01749 -0.03441 -0.03098 115 4PY 0.00505 0.00076 -0.00888 0.00614 -0.00661 116 4PZ -0.01300 0.00323 -0.02293 0.02799 -0.03840 117 5PX 0.10114 -0.16475 0.70513 0.58907 0.27322 118 5PY -0.40547 0.02060 0.29486 -0.08949 -0.17227 119 5PZ 0.23016 0.08602 0.95661 -0.46327 0.35995 120 6PX 0.02770 -0.14017 -0.37994 -1.47541 0.33473 121 6PY 0.12723 0.02822 -0.50954 0.20589 0.47394 122 6PZ 0.03320 0.09752 -0.44825 0.98423 0.55363 123 7D 0 -0.01259 -0.00681 -0.00461 0.09028 0.00604 124 7D+1 0.05005 0.01079 0.02318 -0.03869 0.00418 125 7D-1 0.04190 0.05504 -0.06869 0.00438 -0.01988 126 7D+2 -0.04209 -0.01900 -0.04290 -0.04807 -0.01087 127 7D-2 0.04664 -0.07675 -0.03314 0.02093 -0.01057 128 8D 0 0.03315 0.02754 0.01350 -0.31477 -0.01821 129 8D+1 -0.19352 -0.03873 -0.10048 0.13409 -0.00653 130 8D-1 -0.13427 -0.19105 0.23343 -0.01471 0.05334 131 8D+2 0.14472 0.06394 0.15573 0.16790 0.03244 132 8D-2 -0.15610 0.26786 0.10674 -0.07216 0.02859 133 7 Cu 1S -0.52144 -0.47937 -0.35887 1.07366 -0.31262 134 2S -1.10720 -1.02774 -0.76293 2.01215 -0.53357 135 3S -0.45064 0.11091 -0.29032 -3.31393 -0.26139 136 4PX 0.01757 0.01775 0.01434 0.03185 -0.01211 137 4PY 0.00725 0.01768 0.00713 0.01026 -0.01257 138 4PZ -0.01109 -0.01150 -0.01614 -0.01648 0.00765 139 5PX -0.87594 -0.79368 -0.71581 0.09543 -0.02861 140 5PY -0.46496 -0.72007 -0.11470 0.18555 0.01356 141 5PZ 0.47955 0.32201 0.56551 -0.10673 0.08607 142 6PX 0.08967 0.27610 0.19195 0.31541 -0.04282 143 6PY -0.01983 0.30751 0.25215 -0.63505 -0.28310 144 6PZ -0.10204 -0.17561 -0.05024 0.16042 0.01918 145 7D 0 -0.00720 -0.05020 0.05148 -0.01674 -0.03200 146 7D+1 -0.07316 -0.03294 -0.09133 -0.00334 0.00871 147 7D-1 -0.03083 -0.03941 -0.02621 0.00452 0.02647 148 7D+2 0.00924 -0.02078 0.05734 -0.02206 0.03706 149 7D-2 0.06596 0.09894 0.00026 -0.00743 -0.01520 150 8D 0 0.03151 0.16429 -0.15133 0.05715 0.10866 151 8D+1 0.23884 0.10842 0.29713 -0.00652 -0.02815 152 8D-1 0.09823 0.13457 0.08935 -0.03264 -0.08119 153 8D+2 -0.03831 0.06043 -0.18575 0.07709 -0.12200 154 8D-2 -0.22399 -0.32597 -0.00003 0.04126 0.05069 155 8 C 1S 0.00706 -0.00012 -0.00302 -0.00068 0.00871 156 2S 0.22632 -0.00403 0.04643 -0.02842 0.30091 157 3S 1.54067 -0.02554 -0.60230 0.03465 0.28347 158 4PX -0.02791 -0.01346 -0.01869 0.05880 -0.01945 159 4PY -0.09716 0.00408 0.04512 -0.00763 -0.07373 160 4PZ -0.01276 0.01065 -0.03904 -0.03870 -0.01569 161 5PX 0.02350 0.20355 0.13043 -0.50392 0.48030 162 5PY -0.56745 -0.01739 0.39318 0.14764 -1.25733 163 5PZ 0.17100 -0.15450 0.09090 0.26936 1.03956 164 9 O 1S -0.05606 0.00099 0.01279 0.00086 -0.01967 165 2S 1.30286 -0.02559 -0.35631 -0.03676 0.82045 166 3S -2.41932 0.05061 0.76017 0.08417 -1.93487 167 4PX -0.01337 0.02740 0.01247 -0.06627 0.04794 168 4PY 0.04230 -0.00512 0.00803 0.01069 0.00029 169 4PZ -0.02967 -0.01961 0.01572 0.04152 0.07400 170 5PX 0.14024 -0.10711 -0.08474 0.24759 -0.11668 171 5PY -0.67382 0.02984 0.14293 -0.02294 -0.41066 172 5PZ 0.36624 0.06946 -0.15573 -0.16260 -0.08655 171 172 V V EIGENVALUES -- 2.36560 10.22375 1 1 Cu 1S -1.14103 -0.42824 2 2S -2.11938 -0.65378 3 3S 3.31418 -2.76628 4 4PX 0.02095 0.01023 5 4PY 0.02968 0.01250 6 4PZ 0.02341 0.01191 7 5PX 0.14667 0.32703 8 5PY 0.15455 0.86360 9 5PZ 0.17996 0.28440 10 6PX -0.23920 0.31890 11 6PY 0.47999 0.48897 12 6PZ -0.45465 0.33317 13 7D 0 -0.01477 0.00127 14 7D+1 0.00036 -0.00228 15 7D-1 0.00346 0.01749 16 7D+2 -0.02357 0.00917 17 7D-2 0.00954 0.00929 18 8D 0 0.04340 0.00282 19 8D+1 -0.02265 -0.00210 20 8D-1 -0.02785 -0.11223 21 8D+2 0.07896 -0.02893 22 8D-2 -0.04584 -0.07079 23 2 Cu 1S -0.56373 -1.08300 24 2S -1.08407 -1.71179 25 3S 0.39162 0.46916 26 4PX 0.00125 0.02229 27 4PY -0.02056 0.04797 28 4PZ -0.03400 -0.05347 29 5PX 0.30710 0.18910 30 5PY 0.87471 0.66760 31 5PZ 0.32134 -0.72060 32 6PX -0.70012 -0.02941 33 6PY -1.00490 0.01510 34 6PZ -1.39879 0.67117 35 7D 0 -0.07737 0.00182 36 7D+1 0.00757 0.00180 37 7D-1 -0.02326 -0.01674 38 7D+2 -0.04046 -0.00147 39 7D-2 0.02110 -0.00210 40 8D 0 0.27750 -0.02442 41 8D+1 -0.02264 0.02601 42 8D-1 0.08219 0.14266 43 8D+2 0.14715 0.02001 44 8D-2 -0.08576 -0.01995 45 3 Cu 1S -0.56021 -1.07243 46 2S -1.07734 -1.69668 47 3S 0.41353 0.42532 48 4PX -0.03587 -0.04659 49 4PY -0.01467 0.05781 50 4PZ -0.00786 -0.00491 51 5PX 0.36708 -0.59690 52 5PY 0.84836 0.78721 53 5PZ 0.27921 -0.16438 54 6PX -1.26227 0.63401 55 6PY -0.91150 -0.06327 56 6PZ -0.98856 0.19094 57 7D 0 -0.00289 0.00074 58 7D+1 -0.02071 0.00317 59 7D-1 0.00364 -0.00839 60 7D+2 -0.08997 -0.00473 61 7D-2 0.00367 -0.01410 62 8D 0 0.01648 0.03165 63 8D+1 0.07488 -0.01231 64 8D-1 -0.02220 0.04000 65 8D+2 0.32437 0.03576 66 8D-2 -0.01074 0.13794 67 4 Cu 1S 0.25409 -3.36927 68 2S 0.44810 -5.41618 69 3S -1.15435 12.36544 70 4PX -0.01189 0.03866 71 4PY -0.06383 -0.05238 72 4PZ -0.00235 0.06596 73 5PX 0.28018 -2.61814 74 5PY 1.32591 5.50781 75 5PZ 0.09523 -4.97526 76 6PX 0.35676 -0.70678 77 6PY 0.86143 -1.54805 78 6PZ 0.32632 -0.58565 79 7D 0 0.00869 0.00340 80 7D+1 -0.02202 0.02556 81 7D-1 -0.00528 -0.06815 82 7D+2 0.02822 -0.03354 83 7D-2 -0.01439 -0.03490 84 8D 0 -0.03138 -0.02867 85 8D+1 0.07277 -0.20064 86 8D-1 0.02696 0.50432 87 8D+2 -0.09462 0.25055 88 8D-2 0.05457 0.25661 89 5 Cu 1S 0.59462 -0.28216 90 2S 1.14678 -0.44121 91 3S -1.07806 -3.31950 92 4PX 0.00200 0.00642 93 4PY 0.00869 -0.01485 94 4PZ 0.00511 0.00806 95 5PX -0.23359 0.31671 96 5PY 0.28941 -0.28465 97 5PZ 0.25920 -0.78921 98 6PX 0.31651 0.27111 99 6PY -0.08061 0.30055 100 6PZ 0.49318 -1.03250 101 7D 0 0.01047 -0.00822 102 7D+1 0.02081 -0.00841 103 7D-1 0.00801 0.01378 104 7D+2 0.03947 0.00213 105 7D-2 -0.00583 -0.00133 106 8D 0 -0.04166 0.04162 107 8D+1 -0.07477 0.05986 108 8D-1 -0.02169 -0.09853 109 8D+2 -0.15132 -0.00837 110 8D-2 0.00933 0.02002 111 6 Cu 1S 0.41781 -0.85271 112 2S 0.81105 -1.36871 113 3S -0.77313 0.15582 114 4PX 0.00050 -0.03449 115 4PY -0.00983 0.00278 116 4PZ 0.00292 -0.04946 117 5PX 0.24985 -0.51848 118 5PY 0.65311 0.02806 119 5PZ 0.22027 -0.74428 120 6PX 0.05441 0.17299 121 6PY -1.53865 0.09365 122 6PZ 0.41957 0.20010 123 7D 0 0.01760 0.01149 124 7D+1 -0.01554 0.02092 125 7D-1 -0.04645 -0.00402 126 7D+2 0.02507 0.00378 127 7D-2 -0.04264 -0.00167 128 8D 0 -0.06424 -0.08798 129 8D+1 0.05400 -0.16172 130 8D-1 0.17948 0.01476 131 8D+2 -0.08697 -0.03316 132 8D-2 0.16100 0.00258 133 7 Cu 1S 0.60001 -0.27752 134 2S 1.15537 -0.43485 135 3S -1.12135 -3.30477 136 4PX 0.00664 0.00293 137 4PY 0.00805 -0.01435 138 4PZ 0.00249 0.01113 139 5PX 0.36382 -0.87501 140 5PY 0.18567 -0.09566 141 5PZ -0.16408 0.05725 142 6PX 0.33114 -0.98518 143 6PY -0.08096 0.49763 144 6PZ 0.48294 -0.17255 145 7D 0 0.03684 -0.00135 146 7D+1 0.00913 -0.01248 147 7D-1 0.00800 0.00550 148 7D+2 0.02456 0.00172 149 7D-2 0.00132 0.01142 150 8D 0 -0.13614 0.01737 151 8D+1 -0.03525 0.08069 152 8D-1 -0.03929 -0.02689 153 8D+2 -0.08982 -0.02438 154 8D-2 0.00723 -0.08306 155 8 C 1S -0.00116 -0.05004 156 2S -0.17321 -0.94005 157 3S 1.64232 4.22850 158 4PX 0.03995 -0.05949 159 4PY -0.07232 0.08461 160 4PZ 0.07754 -0.10315 161 5PX -0.20172 -1.35820 162 5PY -0.96542 3.40835 163 5PZ -0.06140 -2.71913 164 9 O 1S -0.01671 -0.01028 165 2S 0.69919 -0.48035 166 3S -1.71326 1.70965 167 4PX -0.01785 -0.09235 168 4PY -0.04810 0.11186 169 4PZ -0.01681 -0.15544 170 5PX 0.14825 0.42947 171 5PY -0.22670 -0.18162 172 5PZ 0.27764 0.63413 ALPHA DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.00577 2 2S 0.00951 0.20451 3 3S 0.00538 0.11585 0.19254 4 4PX 0.00173 0.01101 -0.01789 0.99605 5 4PY 0.00197 0.01274 -0.02662 0.00007 0.99565 6 4PZ 0.00206 0.01303 -0.01956 0.00042 0.00012 7 5PX -0.00084 -0.00965 -0.02576 0.01876 0.00322 8 5PY -0.00179 -0.01725 -0.03665 0.00245 0.02188 9 5PZ -0.00080 -0.01016 -0.02894 0.00053 0.00374 10 6PX -0.00063 0.00480 -0.00815 -0.00634 0.00413 11 6PY 0.00029 0.00198 -0.00467 0.00233 -0.00419 12 6PZ -0.00099 0.00650 -0.01072 0.00361 0.00475 13 7D 0 0.00011 0.00029 -0.00308 -0.00132 -0.00031 14 7D+1 0.00014 -0.00465 -0.03791 -0.00009 0.00033 15 7D-1 -0.00099 -0.01261 -0.07787 0.00014 -0.00035 16 7D+2 -0.00020 -0.00011 -0.00318 0.00062 -0.00126 17 7D-2 -0.00064 -0.00952 -0.05946 -0.00086 0.00028 18 8D 0 -0.00005 0.00082 -0.00106 -0.00025 0.00022 19 8D+1 0.00005 0.00069 -0.01138 -0.00019 0.00008 20 8D-1 -0.00034 -0.00168 -0.02453 0.00010 -0.00070 21 8D+2 -0.00020 0.00040 -0.00151 0.00020 0.00001 22 8D-2 -0.00018 -0.00127 -0.01853 -0.00089 -0.00037 23 2 Cu 1S -0.00119 -0.00392 -0.00246 0.00071 0.00068 24 2S -0.00437 0.06226 0.01193 0.00440 0.00452 25 3S -0.00311 -0.04110 -0.07959 -0.00655 0.01354 26 4PX -0.00012 -0.00510 -0.00728 0.00045 -0.00031 27 4PY -0.00026 -0.00547 0.00125 -0.00079 0.00049 28 4PZ -0.00222 -0.02563 -0.01613 -0.00066 -0.00066 29 5PX 0.00098 0.02156 0.02120 -0.00230 0.00231 30 5PY 0.00028 0.01861 0.00221 0.00428 -0.00441 31 5PZ -0.00069 0.04796 0.00766 0.00225 0.00576 32 6PX -0.00094 0.00399 -0.00668 0.00632 0.00084 33 6PY -0.00097 0.00352 -0.00713 -0.00033 0.00132 34 6PZ -0.00116 -0.01195 -0.02150 -0.00150 -0.00058 35 7D 0 -0.00055 0.00655 0.09195 0.00195 0.00832 36 7D+1 0.00203 0.02334 0.04701 -0.00858 0.00136 37 7D-1 0.00224 0.02849 0.09944 0.00125 -0.00577 38 7D+2 -0.00037 0.00046 -0.01165 -0.00274 0.00319 39 7D-2 0.00062 0.01120 0.03730 -0.00351 -0.00052 40 8D 0 0.00017 0.00184 0.03096 0.00095 0.00227 41 8D+1 0.00075 0.00741 0.01577 -0.00308 0.00040 42 8D-1 0.00093 0.01000 0.03439 0.00043 -0.00257 43 8D+2 -0.00008 -0.00039 -0.00432 -0.00092 0.00087 44 8D-2 0.00018 0.00463 0.01242 -0.00128 -0.00026 45 3 Cu 1S -0.00119 -0.00393 -0.00249 0.00085 0.00064 46 2S -0.00438 0.06150 0.01125 0.01080 0.00347 47 3S -0.00313 -0.04136 -0.07980 0.02552 0.00851 48 4PX -0.00206 -0.02321 -0.01251 0.00101 -0.00071 49 4PY 0.00004 -0.00271 0.00199 0.00092 0.00028 50 4PZ -0.00085 -0.01292 -0.01263 0.00097 -0.00069 51 5PX -0.00091 0.04117 0.00083 0.00059 0.00418 52 5PY 0.00055 0.01556 0.00536 -0.00222 -0.00374 53 5PZ 0.00063 0.03409 0.02200 0.00032 0.00444 54 6PX -0.00093 -0.01128 -0.01866 0.00818 -0.00227 55 6PY -0.00093 0.00586 -0.00503 -0.00085 0.00186 56 6PZ -0.00113 -0.00097 -0.01257 -0.00151 0.00148 57 7D 0 0.00071 0.00644 -0.02800 -0.00234 0.00040 58 7D+1 0.00133 0.02186 0.09276 0.01188 0.00239 59 7D-1 0.00115 0.01819 0.05379 0.00238 -0.00311 60 7D+2 -0.00056 0.00492 0.07059 0.01014 0.00447 61 7D-2 0.00247 0.02553 0.06977 0.00339 -0.00770 62 8D 0 0.00019 0.00143 -0.00979 0.00036 -0.00001 63 8D+1 0.00067 0.00713 0.03120 0.00169 0.00090 64 8D-1 0.00040 0.00691 0.01819 0.00073 -0.00137 65 8D+2 0.00013 0.00114 0.02390 0.00013 0.00141 66 8D-2 0.00092 0.00886 0.02442 0.00073 -0.00291 67 4 Cu 1S -0.00114 -0.00129 -0.00460 0.00015 0.00011 68 2S -0.00195 0.07098 0.05391 0.00192 0.00853 69 3S -0.00454 -0.02042 -0.07272 0.00893 0.03859 70 4PX -0.00042 -0.00546 -0.00521 0.00075 0.00050 71 4PY -0.00190 -0.02602 -0.01248 -0.00094 0.00066 72 4PZ -0.00020 -0.00222 -0.00502 -0.00042 0.00082 73 5PX -0.00069 0.01163 -0.00348 -0.00326 0.00083 74 5PY -0.00121 0.06087 -0.01323 0.00527 -0.00148 75 5PZ -0.00072 0.00389 -0.00176 0.00317 0.00032 76 6PX 0.00038 -0.00133 -0.00357 -0.00196 -0.00086 77 6PY 0.00053 -0.00235 -0.00937 -0.00093 0.00776 78 6PZ 0.00041 -0.00177 -0.00348 0.00206 -0.00343 79 7D 0 0.00058 0.00436 -0.00880 -0.00059 -0.00410 80 7D+1 0.00082 0.01945 0.04800 -0.00175 0.00299 81 7D-1 0.00111 0.00269 0.04430 0.00264 0.00543 82 7D+2 0.00078 -0.00474 -0.03303 -0.00650 -0.00595 83 7D-2 0.00064 0.00525 0.04706 -0.00338 0.00710 84 8D 0 0.00018 0.00150 -0.00323 0.00013 -0.00002 85 8D+1 0.00023 0.00651 0.01610 -0.00066 0.00083 86 8D-1 0.00052 0.00096 0.01477 0.00059 0.00079 87 8D+2 0.00031 -0.00156 -0.01158 -0.00194 0.00009 88 8D-2 0.00030 0.00184 0.01594 -0.00144 0.00100 89 5 Cu 1S 0.00052 0.00028 0.00108 0.00002 -0.00095 90 2S 0.00035 -0.01864 0.01817 -0.00593 0.00219 91 3S 0.00132 0.02509 0.02774 0.00352 -0.01300 92 4PX -0.00005 -0.00613 0.00356 0.00004 -0.00011 93 4PY 0.00089 -0.00014 0.00656 -0.00022 0.00008 94 4PZ 0.00077 -0.00378 0.00963 0.00017 -0.00048 95 5PX 0.00019 0.01619 0.00430 -0.00098 0.00154 96 5PY -0.00005 0.00158 -0.00261 0.00247 -0.00338 97 5PZ 0.00061 0.01728 0.01024 0.00014 -0.00316 98 6PX 0.00032 -0.00388 0.00363 -0.00167 0.00052 99 6PY 0.00027 0.00662 0.00784 0.00044 -0.00412 100 6PZ 0.00071 0.00678 0.01007 0.00231 -0.00146 101 7D 0 -0.00056 -0.00799 -0.02628 0.00041 -0.00065 102 7D+1 -0.00046 0.00415 -0.06252 0.00006 0.00087 103 7D-1 -0.00302 -0.01916 -0.09861 -0.00040 0.00142 104 7D+2 0.00069 0.01819 -0.00461 0.00037 -0.00150 105 7D-2 -0.00054 -0.00400 -0.01353 -0.00039 -0.00052 106 8D 0 -0.00018 -0.00215 -0.00899 0.00014 -0.00069 107 8D+1 -0.00013 0.00163 -0.02105 0.00002 0.00033 108 8D-1 -0.00093 -0.00734 -0.03369 -0.00029 0.00032 109 8D+2 0.00015 0.00661 -0.00136 0.00001 -0.00041 110 8D-2 -0.00018 -0.00058 -0.00479 0.00008 -0.00022 111 6 Cu 1S 0.00035 -0.00231 -0.00240 -0.00069 -0.00098 112 2S -0.00228 -0.08202 -0.02820 0.00147 -0.00330 113 3S -0.00009 -0.03738 0.00473 -0.00490 -0.00368 114 4PX 0.00031 -0.00329 0.00109 0.00076 -0.00055 115 4PY 0.00061 -0.00081 0.01305 -0.00092 0.00050 116 4PZ 0.00031 -0.00448 -0.00123 -0.00075 -0.00057 117 5PX 0.00013 0.00622 0.00978 -0.00311 0.00008 118 5PY -0.00057 -0.00231 -0.00837 0.00140 -0.00289 119 5PZ 0.00030 0.00928 0.01575 -0.00032 0.00007 120 6PX 0.00061 0.01002 0.01288 -0.00104 -0.00014 121 6PY -0.00097 0.00281 -0.00342 0.00110 -0.00027 122 6PZ 0.00111 0.01399 0.01966 -0.00234 -0.00006 123 7D 0 -0.00057 -0.00598 -0.01244 -0.00092 0.00017 124 7D+1 -0.00245 -0.01839 -0.02555 0.00164 0.00016 125 7D-1 -0.00198 -0.01348 -0.03427 -0.00015 0.00165 126 7D+2 0.00008 -0.00182 -0.01404 0.00056 0.00019 127 7D-2 -0.00172 -0.01124 -0.02314 0.00042 0.00105 128 8D 0 -0.00022 -0.00261 -0.00418 -0.00056 -0.00006 129 8D+1 -0.00084 -0.00760 -0.00973 0.00046 -0.00015 130 8D-1 -0.00062 -0.00646 -0.01292 -0.00025 0.00046 131 8D+2 0.00000 -0.00124 -0.00438 0.00038 -0.00011 132 8D-2 -0.00054 -0.00511 -0.00901 0.00008 0.00029 133 7 Cu 1S 0.00053 0.00028 0.00107 -0.00100 -0.00082 134 2S 0.00035 -0.01845 0.01795 0.00280 0.00084 135 3S 0.00133 0.02501 0.02743 -0.00740 -0.01142 136 4PX 0.00092 -0.00161 0.00911 -0.00016 -0.00036 137 4PY 0.00074 -0.00080 0.00584 -0.00082 0.00022 138 4PZ 0.00010 -0.00701 0.00552 0.00030 -0.00031 139 5PX 0.00050 0.01118 0.00757 -0.00253 -0.00359 140 5PY -0.00011 0.00215 -0.00340 -0.00086 -0.00207 141 5PZ 0.00041 0.02086 0.00806 -0.00115 0.00081 142 6PX 0.00060 0.00874 0.00966 -0.00430 -0.00128 143 6PY 0.00024 0.00484 0.00717 0.00042 -0.00376 144 6PZ 0.00053 -0.00194 0.00608 -0.00110 0.00055 145 7D 0 0.00082 0.02061 -0.01745 -0.00163 -0.00010 146 7D+1 -0.00078 -0.00593 -0.05760 0.00036 0.00045 147 7D-1 -0.00125 -0.00402 -0.04204 0.00175 -0.00075 148 7D+2 -0.00078 -0.00345 -0.03281 0.00121 -0.00096 149 7D-2 -0.00265 -0.01751 -0.08958 0.00054 0.00196 150 8D 0 0.00022 0.00716 -0.00559 -0.00029 0.00017 151 8D+1 -0.00022 -0.00142 -0.01954 0.00002 -0.00009 152 8D-1 -0.00041 -0.00091 -0.01446 0.00034 -0.00023 153 8D+2 -0.00027 -0.00108 -0.01116 0.00043 -0.00071 154 8D-2 -0.00079 -0.00705 -0.03055 -0.00024 0.00067 155 8 C 1S -0.00038 0.00696 -0.01136 0.00009 0.00033 156 2S 0.00108 -0.01754 0.01773 0.00001 0.00077 157 3S 0.00252 -0.02415 0.00158 -0.00103 -0.01174 158 4PX -0.00029 0.00308 -0.01684 0.00005 -0.00112 159 4PY -0.00105 -0.01716 -0.01980 0.00046 -0.00107 160 4PZ -0.00012 0.01019 -0.01822 0.00198 -0.00156 161 5PX -0.00042 -0.00138 -0.00558 0.00016 -0.00030 162 5PY 0.00041 -0.00289 0.00012 0.00012 0.00062 163 5PZ -0.00067 -0.00066 -0.00745 0.00019 -0.00046 164 9 O 1S -0.00045 -0.00248 0.00100 -0.00001 -0.00002 165 2S 0.00090 0.00673 -0.00254 0.00002 -0.00071 166 3S -0.00039 0.00618 -0.00815 0.00014 0.00371 167 4PX 0.00011 -0.00381 -0.00843 0.00018 0.00140 168 4PY 0.00182 0.01125 0.02069 -0.00047 0.00073 169 4PZ -0.00032 -0.00965 -0.01816 -0.00161 0.00205 170 5PX 0.00032 -0.00207 -0.00072 0.00001 0.00060 171 5PY 0.00010 0.00298 0.00589 -0.00001 0.00123 172 5PZ 0.00042 -0.00455 -0.00312 -0.00092 0.00057 6 7 8 9 10 6 4PZ 0.99632 7 5PX 0.00033 0.01666 8 5PY 0.00262 0.00295 0.01629 9 5PZ 0.01791 0.00694 0.00317 0.02046 10 6PX 0.00323 0.00177 0.00167 0.00062 0.00628 11 6PY 0.00220 0.00184 -0.00205 0.00325 -0.00001 12 6PZ -0.00507 0.00060 0.00308 0.00131 0.00207 13 7D 0 0.00071 -0.01753 -0.01723 0.03363 -0.00285 14 7D+1 -0.00138 0.02646 -0.00006 0.01760 0.01611 15 7D-1 -0.00028 0.00345 0.02362 0.02567 0.00535 16 7D+2 0.00009 0.02482 -0.03180 0.00234 0.01256 17 7D-2 0.00015 0.02099 0.02340 0.00333 0.02855 18 8D 0 0.00022 -0.00587 -0.00554 0.01099 -0.00086 19 8D+1 -0.00066 0.00842 -0.00017 0.00534 0.00562 20 8D-1 -0.00050 0.00102 0.00738 0.00821 0.00197 21 8D+2 0.00031 0.00821 -0.01029 0.00082 0.00423 22 8D-2 0.00008 0.00660 0.00737 0.00098 0.00968 23 2 Cu 1S 0.00101 -0.00038 0.00045 0.00057 0.00060 24 2S 0.01217 -0.00433 -0.00191 -0.02535 0.00421 25 3S 0.02229 0.00101 0.00712 0.00734 0.00648 26 4PX 0.00104 -0.00248 0.00190 -0.00364 0.00676 27 4PY 0.00066 0.00301 -0.00323 -0.00099 0.00020 28 4PZ 0.00114 -0.00169 0.00100 0.00140 0.00547 29 5PX -0.00166 0.00479 -0.00404 0.00845 -0.00199 30 5PY 0.00016 -0.00541 0.00404 0.00011 0.00113 31 5PZ 0.00054 0.00068 -0.00184 0.01186 -0.00003 32 6PX -0.00255 0.00324 0.00267 -0.00022 -0.00156 33 6PY 0.00079 -0.00154 0.00607 -0.00051 0.00099 34 6PZ 0.00738 0.00299 0.00721 0.00771 -0.00104 35 7D 0 0.01381 -0.01470 -0.03075 -0.05609 0.00494 36 7D+1 0.00267 0.02204 -0.00804 -0.01293 -0.00749 37 7D-1 0.00882 -0.00634 0.00134 -0.04002 -0.01252 38 7D+2 -0.00177 0.01730 -0.01737 0.01188 -0.00562 39 7D-2 0.00087 0.00832 0.00994 -0.00767 -0.01293 40 8D 0 0.00058 -0.00497 -0.01034 -0.01869 0.00151 41 8D+1 0.00052 0.00705 -0.00264 -0.00403 -0.00285 42 8D-1 0.00158 -0.00215 0.00004 -0.01338 -0.00415 43 8D+2 -0.00060 0.00580 -0.00579 0.00398 -0.00180 44 8D-2 0.00039 0.00269 0.00339 -0.00274 -0.00408 45 3 Cu 1S 0.00092 0.00075 0.00028 -0.00021 0.00021 46 2S 0.00774 -0.02267 0.00104 -0.01272 0.00357 47 3S -0.00009 0.00781 0.00616 0.00244 0.01476 48 4PX -0.00049 0.00213 -0.00064 0.00069 -0.00448 49 4PY -0.00037 -0.00318 -0.00202 0.00220 -0.00414 50 4PZ 0.00079 -0.00097 0.00222 -0.00435 -0.00398 51 5PX 0.00323 0.00851 -0.00120 0.00111 0.00543 52 5PY 0.00366 0.00212 0.00238 -0.00448 0.00027 53 5PZ -0.00292 0.00845 -0.00542 0.00983 0.00063 54 6PX -0.00046 0.00753 0.00594 0.00293 0.00186 55 6PY 0.00055 -0.00008 0.00515 -0.00247 0.00067 56 6PZ 0.00490 0.00178 0.00450 0.00423 0.00174 57 7D 0 -0.00814 0.01150 -0.00723 0.03593 0.00468 58 7D+1 -0.00229 -0.04575 -0.00854 -0.00762 -0.00798 59 7D-1 -0.00188 -0.01267 0.01014 0.00467 0.00035 60 7D+2 0.00652 -0.04148 -0.02616 -0.02208 -0.00676 61 7D-2 0.00318 -0.02129 0.01068 -0.01383 -0.00400 62 8D 0 -0.00251 0.00407 -0.00239 0.01194 0.00154 63 8D+1 -0.00160 -0.01499 -0.00291 -0.00275 -0.00267 64 8D-1 -0.00069 -0.00439 0.00333 0.00145 -0.00003 65 8D+2 0.00140 -0.01391 -0.00892 -0.00728 -0.00212 66 8D-2 0.00092 -0.00708 0.00320 -0.00460 -0.00150 67 4 Cu 1S 0.00020 0.00106 0.00216 0.00105 0.00051 68 2S 0.00093 0.00363 -0.02117 0.00962 -0.00470 69 3S 0.00437 0.01144 0.02114 0.01183 0.00645 70 4PX -0.00073 -0.00249 0.00123 0.00258 0.00275 71 4PY -0.00123 0.00166 0.00407 0.00051 0.00041 72 4PZ 0.00042 0.00249 0.00003 -0.00095 -0.00030 73 5PX 0.00411 0.00100 0.00520 -0.00721 0.00269 74 5PY 0.00646 0.00316 0.01167 0.00315 0.00509 75 5PZ -0.00185 -0.00671 0.00592 -0.00554 -0.00004 76 6PX 0.00192 0.00028 -0.00206 0.00337 -0.00858 77 6PY -0.00375 0.00384 -0.00178 0.00536 -0.00366 78 6PZ 0.00036 0.00219 -0.00291 0.00191 0.00114 79 7D 0 -0.00467 0.00078 0.01593 0.02003 0.00932 80 7D+1 -0.00215 0.00746 -0.01442 0.00642 -0.00372 81 7D-1 -0.00454 -0.01396 -0.02739 0.00240 0.00126 82 7D+2 -0.00245 0.02247 0.02295 0.00836 -0.00919 83 7D-2 0.00230 -0.00075 -0.03063 -0.01117 -0.01119 84 8D 0 -0.00162 -0.00002 0.00543 0.00634 0.00307 85 8D+1 -0.00069 0.00214 -0.00434 0.00140 -0.00118 86 8D-1 -0.00174 -0.00418 -0.00859 0.00057 0.00060 87 8D+2 -0.00080 0.00725 0.00773 0.00274 -0.00295 88 8D-2 0.00061 -0.00069 -0.00969 -0.00335 -0.00372 89 5 Cu 1S -0.00086 0.00009 -0.00054 -0.00009 0.00017 90 2S 0.00054 0.01649 -0.01374 -0.00209 -0.00468 91 3S -0.00395 0.00305 -0.00815 0.00069 0.00199 92 4PX 0.00021 -0.00096 -0.00054 -0.00241 -0.00094 93 4PY -0.00103 0.00106 -0.00211 0.00042 -0.00032 94 4PZ 0.00024 -0.00166 -0.00300 -0.00360 -0.00035 95 5PX -0.00114 0.00425 -0.00135 0.00317 0.00021 96 5PY 0.00031 -0.00337 0.00493 -0.00648 0.00082 97 5PZ -0.00211 0.00241 -0.00357 0.00627 -0.00039 98 6PX -0.00014 0.00050 -0.00028 -0.00019 0.00147 99 6PY 0.00075 -0.00356 -0.00010 -0.00249 0.00176 100 6PZ -0.00365 -0.00157 -0.00331 -0.00260 0.00056 101 7D 0 0.00172 -0.00158 0.00471 -0.00055 0.00699 102 7D+1 -0.00117 0.00374 0.01322 0.01044 -0.02050 103 7D-1 0.00126 -0.00007 0.01693 0.01633 -0.00500 104 7D+2 0.00017 0.00412 0.00451 0.00815 -0.01373 105 7D-2 0.00161 -0.00234 -0.00166 -0.00246 0.00735 106 8D 0 0.00067 -0.00051 0.00163 -0.00017 0.00239 107 8D+1 -0.00043 0.00127 0.00454 0.00339 -0.00677 108 8D-1 -0.00011 0.00034 0.00570 0.00581 -0.00167 109 8D+2 0.00027 0.00127 0.00147 0.00272 -0.00451 110 8D-2 0.00041 -0.00106 -0.00068 -0.00066 0.00261 111 6 Cu 1S -0.00077 0.00003 0.00093 -0.00015 -0.00003 112 2S 0.00275 -0.00969 0.00407 -0.01445 -0.00933 113 3S -0.00612 -0.00002 0.01093 -0.00220 -0.01032 114 4PX -0.00083 -0.00333 0.00102 0.00076 -0.00104 115 4PY -0.00110 0.00131 -0.00330 0.00167 -0.00055 116 4PZ 0.00048 0.00070 0.00126 -0.00325 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5PZ -0.00925 0.00383 -0.00009 -0.02509 -0.03700 76 6PX 0.00630 -0.00099 -0.02675 0.02508 0.02053 77 6PY 0.01024 -0.00920 0.02199 -0.00609 -0.01103 78 6PZ 0.00499 -0.00827 0.03448 -0.00526 -0.02577 79 7D 0 -0.00815 -0.00474 -0.00168 0.00432 0.00979 80 7D+1 -0.00510 0.00199 0.00447 -0.00265 0.00330 81 7D-1 -0.00698 -0.01197 0.01657 0.00453 0.01871 82 7D+2 -0.00735 0.00589 -0.00108 0.00850 0.00570 83 7D-2 -0.00123 0.00014 -0.00209 0.00428 -0.00384 84 8D 0 -0.00308 -0.00140 0.00011 0.00071 0.00112 85 8D+1 -0.00197 0.00073 0.00034 -0.00057 -0.00053 86 8D-1 -0.00253 -0.00376 0.00347 0.00079 0.00322 87 8D+2 -0.00297 0.00218 0.00022 0.00195 0.00149 88 8D-2 -0.00040 0.00020 -0.00111 0.00120 0.00016 89 5 Cu 1S -0.00018 -0.00035 0.00003 0.00052 -0.00290 90 2S 0.00422 -0.01523 -0.01067 0.00395 -0.01756 91 3S 0.00122 -0.01364 0.02224 0.01335 -0.08531 92 4PX -0.00353 0.00074 -0.00048 0.00030 -0.00027 93 4PY -0.00298 -0.00021 0.00117 0.00175 -0.00127 94 4PZ -0.00183 -0.00342 -0.00173 -0.00098 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0.00084 0.00061 -0.00005 134 2S 0.00528 -0.01007 0.01811 -0.00602 -0.00073 135 3S 0.00359 -0.00289 0.00390 0.03862 0.03037 136 4PX -0.00070 -0.00107 0.00032 -0.00106 0.00049 137 4PY -0.00337 0.00022 0.00200 0.00162 -0.00098 138 4PZ -0.00351 -0.00048 0.00001 -0.00074 0.00030 139 5PX -0.00046 -0.00111 -0.00670 0.00875 0.00606 140 5PY -0.00526 0.00208 -0.00656 0.00523 0.00038 141 5PZ 0.00311 -0.00011 0.00621 0.00096 -0.00045 142 6PX 0.00158 -0.00002 0.00315 0.00921 0.00738 143 6PY -0.00207 0.00292 -0.00160 0.00831 0.00662 144 6PZ 0.00040 0.00056 -0.01785 0.00854 0.01245 145 7D 0 0.00709 -0.02470 -0.00241 0.00172 0.00091 146 7D+1 0.01331 -0.00723 0.00133 0.00207 0.00211 147 7D-1 -0.00119 0.00549 0.00226 0.00035 0.00202 148 7D+2 0.01477 -0.00707 -0.00231 -0.00409 0.00116 149 7D-2 -0.00369 -0.00598 0.00486 -0.00127 -0.00262 150 8D 0 0.00234 -0.00818 -0.00039 0.00025 0.00020 151 8D+1 0.00443 -0.00223 0.00071 0.00138 0.00152 152 8D-1 -0.00027 0.00201 0.00107 0.00033 0.00061 153 8D+2 0.00487 -0.00237 -0.00070 -0.00174 0.00068 154 8D-2 -0.00147 -0.00206 0.00259 -0.00079 -0.00133 155 8 C 1S 0.00220 0.00278 -0.00134 0.00007 -0.00239 156 2S -0.00446 -0.00489 0.00321 -0.00243 0.00304 157 3S -0.00669 -0.00110 0.00426 0.01021 0.03240 158 4PX 0.00284 0.00105 -0.00806 -0.00222 0.00557 159 4PY -0.00673 0.00175 -0.00032 -0.00334 0.00856 160 4PZ 0.00565 -0.00334 -0.00666 -0.00415 0.00559 161 5PX -0.00240 0.00144 0.00561 -0.00412 -0.00492 162 5PY -0.00051 0.00013 -0.00292 0.00784 0.00476 163 5PZ -0.00309 0.00180 0.00283 -0.00298 0.00414 164 9 O 1S 0.00121 -0.00263 0.00053 0.00005 0.00052 165 2S -0.00211 0.00551 -0.00113 -0.00053 -0.00058 166 3S -0.00262 0.00716 -0.00403 0.00150 -0.00674 167 4PX 0.01478 -0.00501 0.00754 0.00141 -0.00458 168 4PY 0.01791 -0.01620 0.00034 0.00180 -0.00523 169 4PZ 0.01542 -0.01265 0.00551 0.00387 -0.00347 170 5PX 0.00723 -0.00291 0.00254 0.00120 -0.00108 171 5PY 0.00691 -0.00581 -0.00040 0.00012 -0.00479 172 5PZ 0.00803 -0.00656 0.00223 0.00181 -0.00232 16 17 18 19 20 16 7D+2 0.74491 17 7D-2 0.00346 0.75253 18 8D 0 -0.00064 0.00050 0.08250 19 8D+1 -0.00049 -0.00009 0.00054 0.08384 20 8D-1 0.00112 -0.00021 0.00022 0.00007 0.08337 21 8D+2 0.24709 0.00140 -0.00047 0.00002 0.00021 22 8D-2 0.00147 0.24966 0.00013 0.00024 0.00021 23 2 Cu 1S 0.00011 -0.00071 0.00123 -0.00022 0.00008 24 2S -0.00197 0.00157 0.01206 -0.00322 0.00322 25 3S -0.00547 0.00375 0.04508 -0.00893 0.03473 26 4PX 0.00010 0.00212 -0.00075 0.00313 0.00000 27 4PY -0.00149 0.00047 -0.00253 -0.00005 0.00236 28 4PZ 0.00211 0.00005 -0.00232 -0.00062 -0.00195 29 5PX 0.00807 -0.00804 0.00164 -0.00958 0.00028 30 5PY -0.00808 0.01007 0.01279 0.00073 -0.01018 31 5PZ -0.00056 -0.00382 0.02628 -0.00016 0.01107 32 6PX 0.01004 -0.00956 -0.00621 -0.00228 -0.00021 33 6PY -0.00557 0.02703 -0.00489 -0.00121 -0.01138 34 6PZ -0.00635 0.01030 -0.00142 -0.00590 -0.00622 35 7D 0 0.00717 -0.00481 -0.00402 -0.00011 -0.00343 36 7D+1 0.00620 0.00936 -0.00229 0.00335 0.00081 37 7D-1 -0.01363 0.00359 -0.00450 0.00063 0.00278 38 7D+2 -0.00338 -0.00063 0.00009 -0.00055 -0.00030 39 7D-2 0.00324 -0.00697 -0.00010 0.00197 -0.00069 40 8D 0 0.00177 -0.00109 -0.00092 0.00021 -0.00021 41 8D+1 0.00208 0.00160 -0.00101 -0.00077 0.00057 42 8D-1 -0.00433 0.00175 -0.00085 0.00059 -0.00020 43 8D+2 -0.00050 0.00000 -0.00022 -0.00056 0.00062 44 8D-2 0.00146 -0.00116 0.00030 0.00020 -0.00041 45 3 Cu 1S 0.00236 -0.00080 -0.00046 0.00046 -0.00027 46 2S 0.02974 -0.00450 -0.00644 0.00445 0.00099 47 3S 0.13372 0.05297 -0.02395 0.01733 0.00938 48 4PX -0.01095 -0.00518 0.00018 -0.00254 -0.00010 49 4PY -0.00601 0.00691 0.00027 -0.00068 0.00103 50 4PZ -0.00875 -0.00163 0.00196 0.00151 0.00026 51 5PX 0.05925 0.00500 -0.00860 0.01714 0.00056 52 5PY 0.00411 -0.03758 -0.00470 0.00604 -0.00285 53 5PZ 0.03878 0.00203 -0.00557 -0.00349 -0.00011 54 6PX -0.01353 -0.02404 -0.00553 -0.00129 0.00148 55 6PY -0.02861 -0.02745 0.00015 -0.00133 0.00341 56 6PZ -0.00316 0.00018 0.00237 -0.00764 -0.00144 57 7D 0 -0.00418 -0.00126 0.00006 0.00121 0.00156 58 7D+1 -0.01237 -0.00635 0.00547 -0.00061 0.00108 59 7D-1 -0.00594 0.01136 0.00098 0.00045 -0.00062 60 7D+2 -0.00839 -0.01025 -0.00060 -0.00274 -0.00083 61 7D-2 -0.01259 0.02290 -0.00209 0.00024 0.00280 62 8D 0 -0.00048 0.00067 -0.00037 -0.00109 0.00057 63 8D+1 -0.00217 -0.00128 0.00093 -0.00112 0.00039 64 8D-1 -0.00129 0.00156 0.00013 0.00024 0.00008 65 8D+2 -0.00225 -0.00175 -0.00008 -0.00011 0.00006 66 8D-2 -0.00452 0.00415 -0.00065 0.00039 0.00034 67 4 Cu 1S -0.00096 -0.00023 -0.00031 -0.00024 -0.00037 68 2S -0.02468 0.01045 -0.00450 0.00208 0.00137 69 3S -0.11142 0.05831 -0.02352 0.00224 0.01006 70 4PX 0.00595 0.00292 0.00098 0.00022 -0.00084 71 4PY 0.01208 -0.00842 0.00206 -0.00006 -0.00127 72 4PZ 0.00341 -0.00291 0.00074 0.00087 0.00216 73 5PX -0.02310 -0.03926 -0.00933 -0.00038 0.00532 74 5PY -0.08679 0.05462 -0.01657 0.00432 0.00912 75 5PZ -0.00660 0.01312 0.00032 -0.00851 -0.01203 76 6PX 0.01713 -0.05302 -0.00894 0.00829 0.00687 77 6PY 0.02661 -0.00692 0.00717 -0.00230 -0.00362 78 6PZ 0.00194 0.02615 0.01149 -0.00180 -0.00862 79 7D 0 -0.00142 -0.00083 -0.00055 0.00085 0.00102 80 7D+1 0.00657 0.00149 0.00087 -0.00011 -0.00003 81 7D-1 0.00954 -0.00456 0.00439 0.00088 0.00338 82 7D+2 0.00243 0.01553 -0.00099 0.00197 0.00149 83 7D-2 0.02134 0.01048 -0.00090 0.00160 -0.00013 84 8D 0 -0.00009 -0.00023 0.00005 0.00006 -0.00035 85 8D+1 0.00019 -0.00025 -0.00009 0.00008 -0.00053 86 8D-1 0.00183 0.00036 0.00081 0.00005 0.00016 87 8D+2 0.00146 0.00205 -0.00012 0.00037 0.00031 88 8D-2 0.00344 0.00092 -0.00042 0.00045 0.00043 89 5 Cu 1S 0.00071 0.00090 0.00006 0.00018 -0.00086 90 2S 0.01526 -0.00008 -0.00429 0.00056 -0.00690 91 3S 0.01492 0.06728 0.00722 0.00463 -0.02912 92 4PX -0.00005 0.00001 -0.00005 -0.00007 -0.00025 93 4PY 0.00149 -0.00081 0.00053 0.00041 0.00009 94 4PZ 0.00020 0.00101 -0.00071 -0.00034 -0.00029 95 5PX 0.00533 -0.00398 -0.00025 0.00109 0.00000 96 5PY -0.00413 0.01040 0.00302 -0.00091 -0.00551 97 5PZ 0.00105 0.01196 0.00254 -0.00014 -0.00441 98 6PX -0.00915 0.01778 0.00327 -0.00277 -0.00155 99 6PY -0.00969 0.01224 -0.00386 0.00450 -0.00142 100 6PZ 0.00843 0.01012 0.00662 -0.00008 0.00072 101 7D 0 0.00133 0.00244 -0.00006 -0.00155 -0.00140 102 7D+1 0.00129 0.00064 0.00106 0.00115 0.00048 103 7D-1 0.00514 -0.00101 -0.00047 -0.00045 -0.00445 104 7D+2 -0.00163 0.00117 -0.00009 -0.00080 0.00212 105 7D-2 -0.00104 0.00279 -0.00136 0.00195 0.00056 106 8D 0 0.00055 0.00197 0.00001 -0.00055 -0.00068 107 8D+1 0.00112 0.00037 0.00046 0.00054 0.00025 108 8D-1 0.00298 -0.00030 -0.00017 -0.00029 -0.00226 109 8D+2 -0.00076 -0.00006 -0.00025 -0.00024 0.00104 110 8D-2 -0.00076 0.00129 -0.00047 0.00088 0.00028 111 6 Cu 1S 0.00007 -0.00147 0.00001 -0.00041 -0.00059 112 2S -0.00736 -0.00333 -0.00299 -0.00507 -0.00360 113 3S 0.00088 -0.04886 -0.00614 -0.02512 -0.01993 114 4PX -0.00201 -0.00128 0.00077 -0.00048 0.00054 115 4PY 0.00170 -0.00120 0.00035 0.00042 -0.00052 116 4PZ 0.00061 0.00061 -0.00084 -0.00012 -0.00021 117 5PX 0.00859 -0.00621 -0.00173 -0.00133 -0.00512 118 5PY -0.00311 -0.00198 -0.00108 -0.00329 -0.00042 119 5PZ 0.00166 -0.01579 0.00265 -0.00287 -0.00456 120 6PX 0.00190 0.01289 0.00369 -0.00211 -0.00618 121 6PY 0.00177 -0.01155 -0.00275 -0.00778 -0.00219 122 6PZ 0.00218 -0.02004 -0.00063 0.00272 0.00014 123 7D 0 0.00092 -0.00375 0.00060 0.00015 -0.00098 124 7D+1 0.00045 -0.00292 -0.00045 -0.00240 -0.00289 125 7D-1 0.00057 -0.00302 0.00084 -0.00159 -0.00138 126 7D+2 0.00247 -0.00052 0.00107 0.00133 -0.00165 127 7D-2 0.00201 -0.00252 -0.00097 -0.00138 -0.00116 128 8D 0 -0.00002 -0.00239 0.00047 -0.00008 -0.00050 129 8D+1 0.00043 -0.00212 -0.00031 -0.00118 -0.00159 130 8D-1 0.00040 -0.00177 0.00024 -0.00062 -0.00069 131 8D+2 0.00136 -0.00036 0.00044 0.00059 -0.00088 132 8D-2 0.00048 -0.00108 -0.00020 -0.00071 -0.00057 133 7 Cu 1S -0.00095 -0.00286 0.00021 0.00025 0.00001 134 2S -0.00698 -0.01589 0.00582 -0.00293 -0.00092 135 3S -0.02525 -0.09783 0.00150 0.01302 0.01030 136 4PX -0.00111 -0.00141 -0.00017 -0.00031 0.00023 137 4PY 0.00098 -0.00094 0.00047 0.00045 -0.00026 138 4PZ -0.00118 -0.00033 -0.00023 -0.00025 0.00000 139 5PX -0.00211 -0.01880 -0.00234 0.00277 0.00211 140 5PY -0.00200 -0.01499 -0.00203 0.00199 -0.00004 141 5PZ 0.00187 -0.00389 0.00213 0.00041 0.00004 142 6PX 0.01144 -0.00450 0.00110 0.00334 0.00268 143 6PY -0.02309 -0.00001 -0.00045 0.00291 0.00240 144 6PZ 0.00812 -0.01268 -0.00603 0.00273 0.00416 145 7D 0 0.00354 0.00346 -0.00023 0.00038 0.00076 146 7D+1 0.00040 -0.00123 0.00115 0.00067 0.00125 147 7D-1 -0.00384 0.00049 0.00116 0.00041 0.00109 148 7D+2 0.00203 -0.00392 -0.00075 -0.00195 0.00017 149 7D-2 0.00121 -0.00610 0.00290 -0.00085 -0.00140 150 8D 0 0.00151 0.00243 0.00005 0.00002 0.00023 151 8D+1 0.00021 -0.00108 0.00048 0.00046 0.00070 152 8D-1 -0.00173 0.00001 0.00049 0.00020 0.00035 153 8D+2 0.00031 -0.00226 -0.00024 -0.00080 0.00015 154 8D-2 0.00072 -0.00428 0.00128 -0.00046 -0.00066 155 8 C 1S -0.00299 -0.00077 -0.00036 0.00007 -0.00064 156 2S 0.00788 -0.00047 0.00088 -0.00084 0.00102 157 3S 0.01011 0.02065 0.00157 0.00359 0.01047 158 4PX -0.00474 0.00491 -0.00284 -0.00057 0.00193 159 4PY 0.00342 0.00480 0.00052 -0.00089 0.00243 160 4PZ -0.01025 0.00700 -0.00242 -0.00126 0.00207 161 5PX 0.00729 0.00722 0.00187 -0.00131 -0.00170 162 5PY -0.00838 0.00481 -0.00098 0.00279 0.00147 163 5PZ 0.01028 -0.00995 0.00097 -0.00095 0.00133 164 9 O 1S 0.00099 0.00007 0.00032 0.00003 -0.00001 165 2S -0.00163 -0.00001 -0.00066 -0.00018 0.00021 166 3S -0.00985 -0.00137 -0.00134 0.00059 -0.00201 167 4PX 0.00463 -0.00265 0.00259 0.00032 -0.00134 168 4PY -0.00131 -0.00351 -0.00065 0.00045 -0.00130 169 4PZ 0.00924 -0.00631 0.00180 0.00121 -0.00132 170 5PX 0.00078 -0.00312 0.00086 0.00029 -0.00025 171 5PY -0.00183 -0.00241 -0.00027 -0.00002 -0.00149 172 5PZ 0.00340 -0.00107 0.00062 0.00051 -0.00078 21 22 23 24 25 21 8D+2 0.08200 22 8D-2 0.00059 0.08293 23 2 Cu 1S 0.00000 -0.00024 1.00496 24 2S -0.00046 0.00094 0.00699 0.16882 25 3S -0.00199 0.00099 0.01147 0.06387 0.25041 26 4PX -0.00003 0.00071 0.00137 0.01186 -0.01989 27 4PY -0.00072 0.00012 0.00175 0.00897 -0.03610 28 4PZ 0.00043 0.00020 -0.00167 -0.00785 0.04062 29 5PX 0.00275 -0.00264 -0.00216 -0.02754 -0.04705 30 5PY -0.00274 0.00351 -0.00156 -0.00747 -0.03205 31 5PZ -0.00014 -0.00090 0.00158 0.00366 0.02781 32 6PX 0.00346 -0.00324 -0.00208 0.01005 -0.01596 33 6PY -0.00158 0.00903 -0.00129 0.01524 -0.01025 34 6PZ -0.00189 0.00311 0.00150 -0.01002 0.01392 35 7D 0 0.00182 -0.00089 -0.00003 -0.00182 -0.02202 36 7D+1 0.00223 0.00184 -0.00041 -0.00080 0.03020 37 7D-1 -0.00425 0.00204 0.00022 -0.01235 -0.09561 38 7D+2 -0.00080 -0.00018 -0.00018 0.00203 0.05014 39 7D-2 0.00175 -0.00159 0.00017 -0.00089 -0.03942 40 8D 0 0.00039 -0.00012 0.00004 -0.00052 -0.00723 41 8D+1 0.00074 0.00010 -0.00029 -0.00203 0.00883 42 8D-1 -0.00136 0.00086 -0.00014 -0.00424 -0.03276 43 8D+2 -0.00006 0.00002 -0.00012 0.00060 0.01693 44 8D-2 0.00072 -0.00013 0.00012 0.00175 -0.01202 45 3 Cu 1S 0.00103 -0.00018 -0.00123 -0.00390 -0.00164 46 2S 0.01016 -0.00080 -0.00388 0.05455 -0.00972 47 3S 0.04519 0.01837 -0.00162 -0.01014 -0.03274 48 4PX -0.00164 -0.00103 -0.00144 -0.01552 -0.00824 49 4PY -0.00141 0.00303 0.00013 -0.00367 0.00657 50 4PZ -0.00196 -0.00025 0.00069 0.01216 0.01276 51 5PX 0.02005 0.00201 -0.00197 0.02111 -0.01790 52 5PY 0.00130 -0.01248 0.00062 0.01902 0.00950 53 5PZ 0.01293 0.00087 0.00034 -0.03115 -0.01148 54 6PX -0.00446 -0.00864 -0.00012 -0.00555 -0.00529 55 6PY -0.00958 -0.00960 -0.00032 0.01333 0.00585 56 6PZ -0.00104 -0.00022 0.00056 0.00328 0.01419 57 7D 0 0.00012 0.00081 0.00006 -0.00409 0.01026 58 7D+1 -0.00240 -0.00083 -0.00165 -0.02935 -0.14202 59 7D-1 -0.00117 0.00141 -0.00054 -0.01373 -0.02161 60 7D+2 -0.00348 -0.00064 -0.00009 0.00437 0.07231 61 7D-2 -0.00422 0.00435 0.00201 0.00845 0.00880 62 8D 0 0.00033 0.00061 0.00006 -0.00148 0.00433 63 8D+1 -0.00016 0.00000 -0.00063 -0.00994 -0.04791 64 8D-1 -0.00016 -0.00025 -0.00017 -0.00439 -0.00782 65 8D+2 -0.00098 0.00036 0.00002 0.00091 0.02418 66 8D-2 -0.00152 0.00031 0.00068 0.00274 0.00220 67 4 Cu 1S -0.00045 -0.00015 -0.00213 -0.00405 -0.00266 68 2S -0.00842 0.00379 -0.00622 0.01546 -0.04098 69 3S -0.03714 0.01921 -0.00243 -0.03374 -0.05048 70 4PX 0.00188 0.00207 -0.00036 -0.01036 -0.00718 71 4PY 0.00296 -0.00232 -0.00092 -0.01453 -0.00332 72 4PZ 0.00084 -0.00088 0.00092 0.01326 0.00393 73 5PX -0.00718 -0.01303 -0.00024 0.03858 0.02147 74 5PY -0.02853 0.01873 -0.00260 0.01262 -0.03185 75 5PZ -0.00179 0.00444 0.00309 -0.00468 0.03631 76 6PX 0.00571 -0.01772 -0.00055 -0.01443 -0.00679 77 6PY 0.00881 -0.00226 -0.00119 -0.00821 -0.01527 78 6PZ 0.00069 0.00872 -0.00002 0.00429 0.00003 79 7D 0 -0.00095 0.00051 -0.00108 -0.00671 -0.00211 80 7D+1 0.00059 -0.00025 -0.00121 -0.01615 -0.05662 81 7D-1 0.00228 -0.00003 0.00060 -0.02067 -0.06593 82 7D+2 -0.00029 0.00248 0.00115 0.00109 -0.01673 83 7D-2 0.00500 0.00096 0.00117 0.01541 0.05120 84 8D 0 -0.00019 0.00015 -0.00037 -0.00186 -0.00005 85 8D+1 -0.00046 -0.00030 -0.00040 -0.00375 -0.01886 86 8D-1 0.00035 0.00057 0.00040 -0.00730 -0.02328 87 8D+2 0.00015 -0.00020 0.00053 0.00046 -0.00538 88 8D-2 0.00048 -0.00049 0.00042 0.00354 0.01735 89 5 Cu 1S 0.00017 0.00031 -0.00112 -0.00422 -0.00283 90 2S 0.00481 -0.00040 -0.00380 0.06469 -0.03242 91 3S 0.00508 0.02287 -0.00331 0.02035 -0.07573 92 4PX -0.00010 -0.00001 0.00079 0.00480 -0.00653 93 4PY 0.00043 -0.00035 -0.00114 -0.01335 -0.02465 94 4PZ -0.00036 0.00043 -0.00030 -0.00199 -0.01224 95 5PX 0.00178 -0.00135 -0.00017 -0.00652 0.00045 96 5PY -0.00135 0.00344 -0.00063 0.02717 -0.00627 97 5PZ 0.00036 0.00417 -0.00062 -0.00116 -0.00869 98 6PX -0.00307 0.00590 0.00055 0.00311 0.00456 99 6PY -0.00316 0.00429 0.00002 -0.00352 -0.01291 100 6PZ 0.00272 0.00349 -0.00074 0.00500 -0.00647 101 7D 0 0.00057 0.00117 -0.00112 -0.01407 -0.06925 102 7D+1 0.00184 0.00035 0.00043 -0.00552 -0.01272 103 7D-1 0.00312 -0.00047 -0.00057 0.00243 0.07892 104 7D+2 -0.00067 0.00048 -0.00220 -0.03146 -0.12618 105 7D-2 -0.00054 0.00157 0.00111 0.01154 0.02589 106 8D 0 0.00024 0.00078 -0.00052 -0.00478 -0.02323 107 8D+1 0.00085 0.00016 0.00017 -0.00218 -0.00420 108 8D-1 0.00146 -0.00018 -0.00010 0.00162 0.02717 109 8D+2 -0.00030 0.00002 -0.00105 -0.01056 -0.04266 110 8D-2 -0.00032 0.00065 0.00029 0.00302 0.00864 111 6 Cu 1S 0.00011 -0.00050 -0.00121 -0.00361 -0.00067 112 2S -0.00268 -0.00229 -0.00330 0.06645 0.00417 113 3S 0.00063 -0.01741 -0.00035 -0.00593 -0.03264 114 4PX -0.00070 -0.00045 -0.00161 -0.01561 -0.00743 115 4PY 0.00051 -0.00034 -0.00065 -0.01173 -0.01339 116 4PZ 0.00034 0.00044 -0.00035 0.00359 -0.00650 117 5PX 0.00281 -0.00230 -0.00145 0.02059 -0.01856 118 5PY -0.00070 -0.00082 -0.00020 0.03103 0.01127 119 5PZ 0.00048 -0.00547 -0.00046 -0.02252 -0.01205 120 6PX 0.00069 0.00433 -0.00064 -0.00788 -0.01654 121 6PY 0.00060 -0.00407 -0.00049 -0.00103 -0.01179 122 6PZ 0.00073 -0.00640 0.00067 -0.01343 -0.00328 123 7D 0 0.00007 -0.00199 -0.00002 -0.00335 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-0.00222 -0.00002 -0.01119 -0.00458 163 5PZ -0.00123 -0.00250 -0.00015 -0.00469 -0.00617 164 9 O 1S 0.00010 0.00012 -0.00016 -0.00113 0.00578 165 2S -0.00020 -0.00016 0.00038 0.00363 -0.01110 166 3S -0.00057 -0.00104 0.00022 0.00314 -0.02540 167 4PX -0.00081 0.00119 0.00080 0.04293 0.00376 168 4PY -0.00224 0.00068 0.00046 0.02019 0.05173 169 4PZ -0.00214 0.00053 0.00036 0.00961 -0.01313 170 5PX -0.00034 0.00052 0.00003 0.02701 0.00749 171 5PY -0.00149 0.00080 -0.00001 0.01044 0.01367 172 5PZ -0.00100 0.00107 0.00028 0.00657 0.00104 136 137 138 139 140 136 4PX 0.99595 137 4PY 0.00011 0.99631 138 4PZ -0.00006 -0.00052 0.99629 139 5PX 0.02354 0.00196 -0.00212 0.01980 140 5PY 0.00336 0.01688 0.00129 0.00324 0.01942 141 5PZ -0.00338 0.00148 0.01690 -0.00262 -0.00818 142 6PX -0.00147 0.00300 -0.00296 0.00181 0.00062 143 6PY 0.00432 -0.00731 -0.00109 0.00033 0.00340 144 6PZ -0.00457 -0.00216 -0.00796 -0.00075 -0.00092 145 7D 0 0.00024 0.00123 0.00077 0.02153 0.01180 146 7D+1 -0.00067 0.00011 0.00036 0.01426 0.00378 147 7D-1 0.00050 -0.00124 0.00131 0.00058 0.01782 148 7D+2 -0.00047 0.00030 0.00057 -0.03795 0.02804 149 7D-2 0.00025 0.00059 -0.00004 -0.01483 -0.03263 150 8D 0 -0.00026 0.00026 0.00031 0.00687 0.00392 151 8D+1 -0.00062 0.00027 0.00061 0.00434 0.00122 152 8D-1 0.00017 -0.00042 0.00055 0.00001 0.00563 153 8D+2 0.00050 0.00018 -0.00001 -0.01216 0.00937 154 8D-2 0.00045 0.00061 0.00021 -0.00445 -0.01048 155 8 C 1S -0.00024 0.00001 -0.00004 -0.00378 -0.00223 156 2S 0.00057 -0.00093 0.00075 0.00619 0.00627 157 3S 0.00613 0.00153 -0.00126 0.00476 0.00701 158 4PX 0.00233 -0.00141 0.00139 -0.00487 0.00624 159 4PY 0.00167 -0.00161 0.00064 -0.00392 0.00808 160 4PZ 0.00143 -0.00304 0.00113 -0.00169 0.00964 161 5PX 0.00508 -0.00296 0.00284 -0.00160 0.00387 162 5PY 0.00088 -0.00057 0.00071 -0.00098 0.00346 163 5PZ 0.00162 -0.00188 0.00113 -0.00135 0.00595 164 9 O 1S -0.00003 0.00002 0.00003 0.00131 0.00016 165 2S 0.00005 0.00025 -0.00034 -0.00251 -0.00048 166 3S -0.00066 -0.00074 0.00050 -0.00594 -0.00195 167 4PX -0.00070 0.00012 -0.00023 -0.00724 -0.00788 168 4PY -0.00086 0.00115 -0.00042 0.00870 -0.00510 169 4PZ -0.00155 0.00248 -0.00080 0.00143 -0.00953 170 5PX -0.00252 0.00160 -0.00147 -0.00260 -0.00475 171 5PY -0.00175 0.00093 -0.00003 0.00214 -0.00402 172 5PZ -0.00122 0.00195 -0.00064 0.00194 -0.00615 141 142 143 144 145 141 5PZ 0.01975 142 6PX -0.00084 0.00965 143 6PY -0.00219 -0.00074 0.00822 144 6PZ 0.00195 0.00020 -0.00161 0.00639 145 7D 0 0.03002 0.01402 0.00085 0.00340 0.74376 146 7D+1 -0.03279 0.02611 -0.00424 -0.02868 0.00357 147 7D-1 -0.02068 0.00878 0.00861 -0.01030 -0.00009 148 7D+2 -0.00333 -0.02406 0.00565 0.00355 0.00005 149 7D-2 0.00370 -0.02642 -0.03257 -0.00410 0.00357 150 8D 0 0.00993 0.00478 0.00040 0.00106 0.24738 151 8D+1 -0.01060 0.00906 -0.00128 -0.00974 0.00082 152 8D-1 -0.00661 0.00318 0.00300 -0.00358 -0.00020 153 8D+2 -0.00118 -0.00819 0.00182 0.00126 0.00036 154 8D-2 0.00116 -0.00922 -0.01106 -0.00120 0.00032 155 8 C 1S 0.00175 -0.00409 -0.00065 0.00090 -0.00063 156 2S -0.00539 0.00974 -0.00048 -0.00018 0.00220 157 3S -0.00615 0.00215 0.00552 -0.00368 0.00148 158 4PX -0.00681 0.00117 -0.00130 0.00140 0.00329 159 4PY -0.00349 -0.01041 0.01264 -0.00859 0.00217 160 4PZ -0.00546 0.00354 -0.00657 -0.00086 -0.00136 161 5PX -0.00416 -0.00027 0.00108 -0.00067 0.00168 162 5PY -0.00152 -0.00036 0.00094 -0.00077 -0.01347 163 5PZ -0.00300 0.00042 0.00050 -0.00005 0.00143 164 9 O 1S -0.00034 0.00366 -0.00538 0.00131 0.00022 165 2S 0.00080 -0.00725 0.01014 -0.00228 0.00049 166 3S 0.00338 -0.01395 0.01423 -0.00456 -0.00625 167 4PX 0.00706 -0.00340 -0.00557 0.00685 -0.00478 168 4PY 0.00106 0.01957 -0.02375 0.00680 -0.00205 169 4PZ 0.00492 -0.00892 -0.00066 -0.00963 -0.00135 170 5PX 0.00442 -0.00081 -0.00315 0.00340 -0.00253 171 5PY 0.00207 0.00423 -0.00690 0.00144 -0.00148 172 5PZ 0.00255 -0.00211 -0.00179 -0.00326 -0.00069 146 147 148 149 150 146 7D+1 0.75233 147 7D-1 -0.00265 0.75490 148 7D+2 0.00100 -0.00032 0.74311 149 7D-2 0.00146 0.00169 0.00106 0.75183 150 8D 0 0.00073 -0.00008 0.00045 0.00006 0.08232 151 8D+1 0.25030 -0.00047 -0.00015 -0.00028 0.00014 152 8D-1 -0.00011 0.25138 0.00019 -0.00017 -0.00007 153 8D+2 -0.00039 0.00000 0.24695 0.00044 0.00026 154 8D-2 -0.00035 0.00021 0.00040 0.25013 -0.00029 155 8 C 1S 0.00272 -0.00102 0.00169 -0.00245 -0.00024 156 2S -0.00691 0.00595 -0.00483 0.00483 0.00090 157 3S -0.01793 -0.00668 -0.00183 0.03002 0.00078 158 4PX -0.00177 0.00323 -0.00662 0.00016 0.00143 159 4PY -0.00754 0.00652 -0.00276 0.00553 0.00104 160 4PZ 0.00036 0.00471 0.00810 -0.00125 -0.00056 161 5PX -0.00610 0.01410 -0.00059 0.00589 0.00066 162 5PY -0.00730 -0.00090 0.01377 -0.00176 -0.00442 163 5PZ -0.00667 0.00468 -0.00832 -0.00691 0.00049 164 9 O 1S -0.00050 -0.00002 -0.00081 0.00034 0.00008 165 2S 0.00171 -0.00042 0.00084 -0.00062 0.00010 166 3S 0.00147 0.00169 0.00982 -0.00443 -0.00211 167 4PX 0.00613 -0.00520 0.00803 -0.00575 -0.00142 168 4PY 0.00431 -0.00368 0.00124 -0.00425 -0.00106 169 4PZ -0.00086 -0.00403 -0.00612 -0.00190 -0.00092 170 5PX 0.00583 -0.00668 0.00384 -0.00539 -0.00081 171 5PY 0.00285 -0.00189 -0.00108 -0.00409 -0.00064 172 5PZ 0.00195 -0.00293 -0.00146 0.00048 -0.00046 151 152 153 154 155 151 8D+1 0.08339 152 8D-1 0.00012 0.08384 153 8D+2 -0.00032 0.00008 0.08211 154 8D-2 -0.00041 -0.00020 0.00019 0.08335 155 8 C 1S 0.00086 -0.00036 0.00057 -0.00086 1.04810 156 2S -0.00248 0.00203 -0.00174 0.00206 -0.10172 157 3S -0.00562 -0.00255 -0.00085 0.00979 -0.10804 158 4PX -0.00074 0.00171 -0.00259 0.00004 -0.00031 159 4PY -0.00193 0.00214 -0.00134 0.00124 -0.02831 160 4PZ -0.00001 0.00160 0.00327 -0.00029 0.00685 161 5PX -0.00207 0.00503 -0.00029 0.00193 0.00149 162 5PY -0.00248 -0.00033 0.00457 -0.00055 -0.02315 163 5PZ -0.00217 0.00163 -0.00270 -0.00239 0.00795 164 9 O 1S 0.00002 -0.00010 -0.00045 -0.00019 0.00578 165 2S 0.00018 0.00004 0.00068 0.00038 -0.00929 166 3S 0.00026 0.00072 0.00349 -0.00114 0.01085 167 4PX 0.00141 -0.00164 0.00223 -0.00133 0.00936 168 4PY 0.00073 -0.00120 0.00085 -0.00051 -0.04656 169 4PZ -0.00005 -0.00143 -0.00176 -0.00068 0.02462 170 5PX 0.00167 -0.00231 0.00113 -0.00150 0.00242 171 5PY 0.00080 -0.00065 -0.00031 -0.00117 -0.00542 172 5PZ 0.00067 -0.00101 -0.00035 0.00026 0.00468 156 157 158 159 160 156 2S 0.26225 157 3S 0.21442 0.24380 158 4PX 0.00560 -0.00560 0.18397 159 4PY 0.04882 0.15544 -0.00532 0.33255 160 4PZ -0.00500 -0.04730 0.01656 -0.04830 0.20762 161 5PX 0.00076 0.00380 0.03444 0.01258 0.00150 162 5PY 0.04700 0.04166 0.00626 0.00950 0.01381 163 5PZ -0.01099 -0.00543 0.00313 0.02255 0.02923 164 9 O 1S -0.00543 0.02276 -0.00412 0.03329 -0.01413 165 2S 0.00478 -0.05234 0.00981 -0.08237 0.03444 166 3S -0.04988 -0.06111 -0.00428 0.00523 -0.00726 167 4PX -0.02255 -0.02041 0.22191 0.05012 -0.03346 168 4PY 0.11959 -0.01250 0.05170 -0.21192 0.18548 169 4PZ -0.06126 -0.02397 -0.03385 0.18334 0.14429 170 5PX -0.00650 -0.01106 0.08053 0.00859 -0.01196 171 5PY 0.01353 -0.00940 0.01005 -0.02737 0.04317 172 5PZ -0.01231 -0.01242 -0.01233 0.04128 0.06054 161 162 163 164 165 161 5PX 0.01043 162 5PY 0.00111 0.01383 163 5PZ 0.00339 -0.00012 0.01228 164 9 O 1S 0.00017 -0.00305 0.00095 1.05930 165 2S -0.00008 0.00085 -0.00021 -0.12954 0.30223 166 3S 0.00069 -0.01003 0.00359 -0.12469 0.26274 167 4PX 0.02984 -0.00681 -0.00378 -0.00284 0.00528 168 4PY -0.00652 0.02872 -0.00767 0.01700 -0.02918 169 4PZ -0.00384 -0.00805 0.03063 -0.00821 0.01466 170 5PX 0.00821 -0.00285 -0.00320 -0.00241 0.00586 171 5PY -0.00246 0.00285 -0.00128 0.01515 -0.03635 172 5PZ -0.00329 -0.00180 0.00707 -0.00715 0.01728 166 167 168 169 170 166 3S 0.27112 167 4PX 0.02264 0.42249 168 4PY -0.14011 0.00678 0.43409 169 4PZ 0.06654 0.00776 0.00429 0.42467 170 5PX 0.00938 0.16706 0.01360 0.00019 0.06798 171 5PY -0.05005 0.01514 0.09997 0.03692 0.00841 172 5PZ 0.02553 -0.00021 0.03489 0.15506 0.00033 171 172 171 5PY 0.03106 172 5PZ 0.02034 0.06134 BETA DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.00574 2 2S 0.00854 0.17978 3 3S 0.00455 0.09839 0.16984 4 4PX 0.00173 0.01258 -0.01642 0.99606 5 4PY 0.00190 0.01001 -0.02910 0.00018 0.99541 6 4PZ 0.00207 0.01584 -0.01694 0.00037 0.00034 7 5PX -0.00101 -0.01880 -0.03126 0.01889 0.00265 8 5PY -0.00154 -0.00847 -0.02790 0.00220 0.02264 9 5PZ -0.00109 -0.02496 -0.03858 0.00072 0.00277 10 6PX -0.00060 0.00628 -0.00605 -0.00640 0.00427 11 6PY 0.00012 -0.00475 -0.01032 0.00258 -0.00479 12 6PZ -0.00090 0.01003 -0.00654 0.00358 0.00505 13 7D 0 -0.00039 -0.00708 -0.00853 -0.00090 -0.00067 14 7D+1 -0.00045 -0.01342 -0.04301 0.00078 -0.00031 15 7D-1 -0.00062 -0.00781 -0.07165 -0.00022 0.00025 16 7D+2 -0.00052 -0.00501 -0.00688 0.00102 -0.00132 17 7D-2 -0.00034 -0.00549 -0.05434 -0.00141 0.00070 18 8D 0 -0.00026 -0.00144 -0.00266 -0.00011 0.00012 19 8D+1 -0.00020 -0.00197 -0.01284 0.00006 -0.00011 20 8D-1 -0.00019 -0.00027 -0.02252 0.00002 -0.00056 21 8D+2 -0.00035 -0.00113 -0.00256 0.00031 0.00000 22 8D-2 -0.00005 -0.00006 -0.01690 -0.00102 -0.00028 23 2 Cu 1S -0.00116 -0.00307 -0.00172 0.00066 0.00076 24 2S -0.00374 0.08544 0.03263 0.00337 0.00654 25 3S -0.00248 -0.02370 -0.06312 -0.00745 0.01535 26 4PX 0.00008 0.00052 -0.00248 0.00014 0.00023 27 4PY -0.00039 -0.00902 -0.00249 -0.00062 0.00020 28 4PZ -0.00201 -0.02097 -0.01266 -0.00099 -0.00017 29 5PX 0.00031 0.00530 0.00618 -0.00135 0.00069 30 5PY 0.00066 0.02657 0.01269 0.00368 -0.00360 31 5PZ -0.00124 0.03450 -0.00180 0.00305 0.00450 32 6PX -0.00087 0.00609 -0.00383 0.00626 0.00104 33 6PY -0.00077 0.01130 0.00007 -0.00068 0.00202 34 6PZ -0.00108 -0.01107 -0.01925 -0.00158 -0.00044 35 7D 0 -0.00041 0.01345 0.09204 0.00147 0.00902 36 7D+1 0.00170 0.02055 0.04139 -0.00821 0.00109 37 7D-1 0.00209 0.02132 0.09404 0.00156 -0.00646 38 7D+2 -0.00100 -0.01338 -0.02655 -0.00193 0.00190 39 7D-2 0.00051 0.01018 0.03282 -0.00353 -0.00062 40 8D 0 0.00022 0.00428 0.03079 0.00082 0.00250 41 8D+1 0.00065 0.00615 0.01365 -0.00295 0.00027 42 8D-1 0.00087 0.00735 0.03223 0.00055 -0.00282 43 8D+2 -0.00027 -0.00488 -0.00914 -0.00066 0.00044 44 8D-2 0.00013 0.00487 0.01117 -0.00128 -0.00025 45 3 Cu 1S -0.00115 -0.00308 -0.00175 0.00079 0.00072 46 2S -0.00373 0.08514 0.03228 0.00985 0.00552 47 3S -0.00250 -0.02378 -0.06317 0.02422 0.01040 48 4PX -0.00196 -0.02137 -0.01155 0.00083 -0.00048 49 4PY -0.00008 -0.00567 -0.00116 0.00108 0.00003 50 4PZ -0.00058 -0.00559 -0.00644 0.00049 0.00003 51 5PX -0.00114 0.03536 -0.00110 0.00116 0.00364 52 5PY 0.00087 0.02191 0.01389 -0.00268 -0.00311 53 5PZ -0.00024 0.01325 0.00331 0.00200 0.00233 54 6PX -0.00085 -0.00990 -0.01633 0.00796 -0.00208 55 6PY -0.00073 0.01367 0.00215 -0.00100 0.00253 56 6PZ -0.00106 0.00021 -0.01012 -0.00169 0.00165 57 7D 0 0.00006 -0.00647 -0.04049 -0.00142 -0.00082 58 7D+1 0.00131 0.02751 0.09177 0.01169 0.00294 59 7D-1 0.00080 0.00970 0.04334 0.00281 -0.00392 60 7D+2 -0.00070 0.00195 0.06432 0.01026 0.00422 61 7D-2 0.00243 0.02087 0.06880 0.00355 -0.00817 62 8D 0 0.00000 -0.00312 -0.01394 0.00059 -0.00043 63 8D+1 0.00066 0.00897 0.03061 0.00161 0.00106 64 8D-1 0.00028 0.00455 0.01488 0.00088 -0.00161 65 8D+2 0.00009 0.00017 0.02162 0.00016 0.00132 66 8D-2 0.00089 0.00678 0.02367 0.00080 -0.00309 67 4 Cu 1S -0.00116 -0.00214 -0.00527 0.00018 0.00004 68 2S -0.00305 0.04071 0.02562 0.00366 0.00557 69 3S -0.00432 -0.02058 -0.06977 0.00880 0.03854 70 4PX -0.00051 -0.00715 -0.00721 0.00085 0.00036 71 4PY -0.00186 -0.02477 -0.01253 -0.00105 0.00080 72 4PZ -0.00034 -0.00482 -0.00778 -0.00024 0.00059 73 5PX -0.00034 0.02038 0.00589 -0.00370 0.00167 74 5PY -0.00145 0.05022 -0.01637 0.00560 -0.00225 75 5PZ -0.00019 0.01825 0.01186 0.00224 0.00170 76 6PX 0.00021 -0.00640 -0.00823 -0.00164 -0.00128 77 6PY 0.00019 -0.01520 -0.01987 -0.00039 0.00664 78 6PZ 0.00024 -0.00628 -0.00786 0.00222 -0.00375 79 7D 0 0.00034 -0.00353 -0.01538 -0.00010 -0.00508 80 7D+1 0.00032 0.00539 0.03496 -0.00088 0.00138 81 7D-1 0.00166 0.02152 0.05761 0.00155 0.00748 82 7D+2 0.00088 -0.00269 -0.03122 -0.00653 -0.00589 83 7D-2 0.00095 0.01686 0.05484 -0.00397 0.00840 84 8D 0 0.00012 -0.00030 -0.00472 0.00028 -0.00028 85 8D+1 0.00009 0.00292 0.01255 -0.00040 0.00038 86 8D-1 0.00069 0.00677 0.01895 0.00024 0.00144 87 8D+2 0.00037 -0.00035 -0.01040 -0.00198 0.00015 88 8D-2 0.00039 0.00528 0.01821 -0.00163 0.00140 89 5 Cu 1S 0.00051 -0.00039 0.00057 0.00004 -0.00102 90 2S -0.00050 -0.04102 -0.00491 -0.00479 0.00023 91 3S 0.00066 0.00390 0.01101 0.00406 -0.01471 92 4PX -0.00001 -0.00471 0.00427 -0.00004 0.00007 93 4PY 0.00080 -0.00276 0.00411 -0.00006 -0.00019 94 4PZ 0.00090 -0.00040 0.01280 -0.00006 -0.00013 95 5PX -0.00001 0.00938 -0.00052 -0.00044 0.00075 96 5PY 0.00033 0.01129 0.00838 0.00167 -0.00224 97 5PZ 0.00027 0.00778 0.00153 0.00078 -0.00419 98 6PX 0.00031 -0.00356 0.00300 -0.00169 0.00052 99 6PY 0.00038 0.01037 0.01068 0.00024 -0.00382 100 6PZ 0.00065 0.00502 0.00849 0.00235 -0.00160 101 7D 0 -0.00031 0.00014 -0.02050 0.00002 0.00006 102 7D+1 -0.00069 -0.00128 -0.06663 0.00041 0.00038 103 7D-1 -0.00274 -0.01371 -0.09327 -0.00070 0.00181 104 7D+2 0.00078 0.02105 -0.00146 0.00026 -0.00134 105 7D-2 -0.00028 0.00336 -0.00825 -0.00074 0.00014 106 8D 0 -0.00010 0.00052 -0.00708 0.00001 -0.00046 107 8D+1 -0.00020 -0.00011 -0.02224 0.00013 0.00017 108 8D-1 -0.00084 -0.00573 -0.03199 -0.00038 0.00043 109 8D+2 0.00019 0.00762 -0.00020 -0.00003 -0.00035 110 8D-2 -0.00008 0.00203 -0.00286 -0.00004 0.00001 111 6 Cu 1S 0.00039 -0.00127 -0.00154 -0.00074 -0.00089 112 2S -0.00134 -0.05036 -0.00637 -0.00032 0.00003 113 3S 0.00055 -0.01119 0.02397 -0.00593 -0.00134 114 4PX 0.00038 -0.00165 0.00259 0.00066 -0.00039 115 4PY 0.00035 -0.00827 0.00669 -0.00052 -0.00016 116 4PZ 0.00047 -0.00059 0.00226 -0.00098 -0.00021 117 5PX -0.00009 0.00089 0.00531 -0.00265 -0.00042 118 5PY 0.00019 0.02170 0.01013 0.00020 -0.00090 119 5PZ -0.00017 -0.00338 0.00544 0.00030 -0.00102 120 6PX 0.00047 0.00689 0.00975 -0.00077 -0.00053 121 6PY -0.00087 0.00552 0.00091 0.00094 0.00004 122 6PZ 0.00089 0.00898 0.01422 -0.00196 -0.00069 123 7D 0 -0.00029 0.00090 -0.00387 -0.00147 0.00091 124 7D+1 -0.00223 -0.01324 -0.01720 0.00132 0.00082 125 7D-1 -0.00207 -0.01939 -0.04045 0.00016 0.00096 126 7D+2 0.00037 0.00428 -0.00740 0.00012 0.00074 127 7D-2 -0.00185 -0.01675 -0.02860 0.00056 0.00049 128 8D 0 -0.00013 -0.00016 -0.00122 -0.00072 0.00020 129 8D+1 -0.00075 -0.00546 -0.00659 0.00033 0.00010 130 8D-1 -0.00064 -0.00827 -0.01477 -0.00017 0.00026 131 8D+2 0.00008 0.00084 -0.00216 0.00026 0.00009 132 8D-2 -0.00057 -0.00680 -0.01064 0.00014 0.00012 133 7 Cu 1S 0.00051 -0.00039 0.00057 -0.00096 -0.00088 134 2S -0.00050 -0.04091 -0.00528 0.00409 -0.00115 135 3S 0.00066 0.00381 0.01072 -0.00600 -0.01326 136 4PX 0.00101 0.00058 0.01136 -0.00029 -0.00015 137 4PY 0.00065 -0.00356 0.00314 -0.00070 -0.00005 138 4PZ 0.00019 -0.00411 0.00766 0.00014 0.00001 139 5PX 0.00032 0.00647 0.00321 -0.00228 -0.00407 140 5PY 0.00027 0.01168 0.00766 -0.00125 -0.00102 141 5PZ 0.00004 0.00979 -0.00108 -0.00068 -0.00039 142 6PX 0.00058 0.00792 0.00910 -0.00422 -0.00135 143 6PY 0.00035 0.00856 0.00981 0.00026 -0.00347 144 6PZ 0.00048 -0.00279 0.00450 -0.00099 0.00044 145 7D 0 0.00059 0.01493 -0.02097 -0.00117 -0.00069 146 7D+1 -0.00080 -0.00484 -0.05736 0.00031 0.00057 147 7D-1 -0.00090 0.00491 -0.03477 0.00116 0.00000 148 7D+2 -0.00046 0.00525 -0.02553 0.00066 -0.00025 149 7D-2 -0.00261 -0.01856 -0.08938 0.00056 0.00181 150 8D 0 0.00015 0.00533 -0.00661 -0.00015 -0.00001 151 8D+1 -0.00022 -0.00100 -0.01931 -0.00002 -0.00004 152 8D-1 -0.00029 0.00215 -0.01189 0.00012 0.00003 153 8D+2 -0.00017 0.00168 -0.00881 0.00025 -0.00048 154 8D-2 -0.00078 -0.00761 -0.03057 -0.00022 0.00060 155 8 C 1S -0.00059 0.00108 -0.01589 0.00043 -0.00025 156 2S 0.00162 -0.00233 0.02968 -0.00085 0.00225 157 3S 0.00332 -0.00179 0.02131 -0.00241 -0.00931 158 4PX 0.00009 0.01442 -0.00618 -0.00055 0.00005 159 4PY -0.00028 0.00544 -0.00088 -0.00079 0.00114 160 4PZ 0.00021 0.01976 -0.00861 0.00151 -0.00054 161 5PX -0.00018 0.00638 0.00120 -0.00025 0.00045 162 5PY 0.00062 0.00363 0.00566 -0.00014 0.00120 163 5PZ -0.00040 0.00833 0.00039 -0.00017 0.00038 164 9 O 1S -0.00041 -0.00142 0.00181 -0.00007 0.00009 165 2S 0.00078 0.00353 -0.00493 0.00020 -0.00103 166 3S -0.00055 0.00202 -0.01188 0.00043 0.00319 167 4PX -0.00023 -0.01422 -0.01925 0.00071 0.00039 168 4PY 0.00131 -0.00443 0.00635 0.00040 -0.00080 169 4PZ -0.00063 -0.01969 -0.02922 -0.00111 0.00107 170 5PX 0.00009 -0.00954 -0.00805 0.00039 -0.00012 171 5PY -0.00016 -0.00495 -0.00163 0.00041 0.00044 172 5PZ 0.00018 -0.01265 -0.01117 -0.00056 -0.00019 6 7 8 9 10 6 4PZ 0.99622 7 5PX 0.00060 0.01482 8 5PY 0.00210 0.00440 0.01373 9 5PZ 0.01841 0.00490 0.00563 0.01648 10 6PX 0.00322 0.00191 0.00113 0.00063 0.00613 11 6PY 0.00266 0.00046 -0.00044 0.00101 0.00020 12 6PZ -0.00525 0.00079 0.00202 0.00200 0.00190 13 7D 0 0.00179 -0.01922 -0.01638 0.02754 -0.00258 14 7D+1 -0.00021 0.02125 0.00142 0.01158 0.01667 15 7D-1 -0.00114 0.00499 0.02002 0.02966 0.00482 16 7D+2 0.00055 0.02223 -0.03192 0.00010 0.01278 17 7D-2 -0.00031 0.02366 0.02079 0.00530 0.02756 18 8D 0 0.00051 -0.00644 -0.00530 0.00889 -0.00077 19 8D+1 -0.00032 0.00656 0.00033 0.00320 0.00581 20 8D-1 -0.00070 0.00142 0.00625 0.00937 0.00180 21 8D+2 0.00045 0.00731 -0.01036 0.00005 0.00428 22 8D-2 -0.00002 0.00743 0.00656 0.00150 0.00934 23 2 Cu 1S 0.00092 -0.00015 0.00018 0.00095 0.00052 24 2S 0.01040 -0.00040 -0.00669 -0.01822 0.00367 25 3S 0.02021 0.00490 0.00186 0.01544 0.00593 26 4PX 0.00044 -0.00105 0.00042 -0.00121 0.00660 27 4PY 0.00099 0.00228 -0.00225 -0.00206 0.00044 28 4PZ 0.00055 -0.00006 -0.00045 0.00412 0.00516 29 5PX 0.00038 0.00059 0.00052 0.00051 -0.00131 30 5PY -0.00082 -0.00333 0.00136 0.00277 0.00018 31 5PZ 0.00233 -0.00353 0.00185 0.00373 0.00082 32 6PX -0.00274 0.00336 0.00196 0.00045 -0.00173 33 6PY 0.00034 0.00015 0.00405 0.00152 0.00060 34 6PZ 0.00705 0.00328 0.00655 0.00849 -0.00133 35 7D 0 0.01307 -0.01203 -0.03242 -0.05039 0.00601 36 7D+1 0.00323 0.02036 -0.00672 -0.01418 -0.00595 37 7D-1 0.00936 -0.00767 0.00282 -0.04279 -0.01253 38 7D+2 -0.00028 0.01363 -0.01380 0.00659 -0.00476 39 7D-2 0.00092 0.00874 0.00969 -0.00669 -0.01277 40 8D 0 0.00035 -0.00412 -0.01083 -0.01674 0.00189 41 8D+1 0.00067 0.00645 -0.00212 -0.00438 -0.00235 42 8D-1 0.00179 -0.00267 0.00060 -0.01441 -0.00411 43 8D+2 -0.00016 0.00461 -0.00461 0.00237 -0.00153 44 8D-2 0.00043 0.00285 0.00324 -0.00237 -0.00400 45 3 Cu 1S 0.00083 0.00099 0.00001 0.00018 0.00016 46 2S 0.00585 -0.01803 -0.00396 -0.00575 0.00253 47 3S -0.00192 0.01316 0.00061 0.00965 0.01291 48 4PX -0.00078 0.00314 -0.00134 0.00217 -0.00457 49 4PY -0.00010 -0.00367 -0.00118 0.00117 -0.00401 50 4PZ 0.00002 0.00114 0.00019 -0.00108 -0.00437 51 5PX 0.00389 0.00526 0.00041 -0.00268 0.00544 52 5PY 0.00283 0.00313 0.00029 -0.00180 -0.00003 53 5PZ -0.00056 0.00151 0.00066 0.00015 0.00184 54 6PX -0.00069 0.00797 0.00526 0.00376 0.00176 55 6PY -0.00001 0.00086 0.00325 -0.00001 0.00052 56 6PZ 0.00477 0.00225 0.00382 0.00453 0.00157 57 7D 0 -0.00658 0.00776 -0.00357 0.02915 0.00516 58 7D+1 -0.00273 -0.04260 -0.00985 -0.00477 -0.00954 59 7D-1 -0.00115 -0.01407 0.01170 0.00233 0.00074 60 7D+2 0.00666 -0.04064 -0.02558 -0.02180 -0.00678 61 7D-2 0.00361 -0.02337 0.01193 -0.01622 -0.00381 62 8D 0 -0.00203 0.00295 -0.00116 0.00974 0.00170 63 8D+1 -0.00172 -0.01386 -0.00328 -0.00184 -0.00314 64 8D-1 -0.00045 -0.00483 0.00380 0.00070 0.00012 65 8D+2 0.00146 -0.01356 -0.00869 -0.00721 -0.00210 66 8D-2 0.00108 -0.00786 0.00370 -0.00553 -0.00142 67 4 Cu 1S 0.00025 0.00090 0.00238 0.00079 0.00054 68 2S 0.00402 -0.00444 -0.01165 -0.00380 -0.00296 69 3S 0.00419 0.01157 0.01994 0.01226 0.00614 70 4PX -0.00055 -0.00275 0.00182 0.00187 0.00287 71 4PY -0.00141 0.00231 0.00373 0.00152 0.00038 72 4PZ 0.00070 0.00178 0.00095 -0.00199 -0.00008 73 5PX 0.00305 0.00261 0.00258 -0.00312 0.00218 74 5PY 0.00713 0.00070 0.01290 -0.00076 0.00494 75 5PZ -0.00328 -0.00270 0.00185 0.00006 -0.00094 76 6PX 0.00229 -0.00108 -0.00082 0.00170 -0.00828 77 6PY -0.00272 0.00110 0.00132 0.00076 -0.00314 78 6PZ 0.00078 0.00137 -0.00189 0.00017 0.00122 79 7D 0 -0.00373 -0.00151 0.01830 0.01587 0.00965 80 7D+1 -0.00059 0.00347 -0.00959 -0.00013 -0.00267 81 7D-1 -0.00641 -0.00868 -0.03213 0.01036 0.00011 82 7D+2 -0.00256 0.02233 0.02233 0.00869 -0.00902 83 7D-2 0.00106 0.00226 -0.03332 -0.00582 -0.01152 84 8D 0 -0.00136 -0.00063 0.00605 0.00521 0.00314 85 8D+1 -0.00022 0.00102 -0.00294 -0.00044 -0.00086 86 8D-1 -0.00235 -0.00254 -0.01013 0.00308 0.00023 87 8D+2 -0.00087 0.00731 0.00737 0.00301 -0.00291 88 8D-2 0.00023 0.00023 -0.01052 -0.00173 -0.00381 89 5 Cu 1S -0.00079 -0.00004 -0.00038 -0.00037 0.00019 90 2S 0.00271 0.01130 -0.00705 -0.00986 -0.00327 91 3S -0.00189 -0.00057 -0.00277 -0.00851 0.00248 92 4PX 0.00006 -0.00042 -0.00094 -0.00160 -0.00103 93 4PY -0.00080 0.00040 -0.00139 -0.00059 -0.00021 94 4PZ -0.00012 -0.00064 -0.00410 -0.00206 -0.00055 95 5PX -0.00049 0.00161 0.00073 -0.00001 0.00077 96 5PY -0.00062 -0.00024 0.00149 -0.00282 0.00009 97 5PZ -0.00119 -0.00054 -0.00037 0.00192 0.00015 98 6PX -0.00011 0.00068 -0.00022 -0.00004 0.00151 99 6PY 0.00045 -0.00264 -0.00086 -0.00130 0.00158 100 6PZ -0.00346 -0.00183 -0.00279 -0.00344 0.00059 101 7D 0 0.00088 0.00045 0.00313 0.00319 0.00681 102 7D+1 -0.00052 0.00214 0.01441 0.00769 -0.02033 103 7D-1 0.00064 0.00139 0.01485 0.01902 -0.00505 104 7D+2 -0.00002 0.00429 0.00421 0.00854 -0.01359 105 7D-2 0.00082 -0.00050 -0.00339 0.00102 0.00723 106 8D 0 0.00037 0.00015 0.00111 0.00110 0.00234 107 8D+1 -0.00023 0.00076 0.00488 0.00252 -0.00671 108 8D-1 -0.00030 0.00079 0.00503 0.00665 -0.00167 109 8D+2 0.00019 0.00135 0.00133 0.00289 -0.00446 110 8D-2 0.00012 -0.00044 -0.00127 0.00054 0.00256 111 6 Cu 1S -0.00086 0.00031 0.00059 0.00031 -0.00007 112 2S -0.00049 -0.00014 -0.00431 0.00080 -0.01051 113 3S -0.00808 0.00598 0.00407 0.00773 -0.01122 114 4PX -0.00101 -0.00277 0.00047 0.00143 -0.00114 115 4PY -0.00040 -0.00043 -0.00142 -0.00113 -0.00029 116 4PZ 0.00008 0.00162 0.00013 -0.00156 -0.00076 117 5PX 0.00041 0.00796 0.00003 -0.00307 -0.00405 118 5PY -0.00013 -0.00125 0.00195 -0.00002 0.00034 119 5PZ -0.00222 -0.00284 0.00183 0.00569 -0.00133 120 6PX -0.00163 -0.00065 -0.00095 -0.00145 -0.00010 121 6PY 0.00136 0.00156 0.00274 0.00178 -0.00183 122 6PZ -0.00218 -0.00208 -0.00190 -0.00203 -0.00027 123 7D 0 0.00054 0.00838 0.00029 -0.00075 -0.00288 124 7D+1 0.00055 0.00023 -0.00041 0.00603 -0.00015 125 7D-1 0.00052 0.00170 0.00476 0.00246 0.00666 126 7D+2 -0.00170 0.00011 0.00434 0.00536 -0.00331 127 7D-2 0.00073 0.00324 0.00173 -0.00067 -0.00115 128 8D 0 0.00034 0.00284 0.00023 -0.00031 -0.00108 129 8D+1 -0.00010 0.00033 -0.00004 0.00242 -0.00008 130 8D-1 0.00008 0.00069 0.00193 0.00109 0.00193 131 8D+2 -0.00056 -0.00008 0.00172 0.00155 -0.00128 132 8D-2 0.00000 0.00141 0.00072 -0.00004 -0.00037 133 7 Cu 1S -0.00010 -0.00040 -0.00033 -0.00012 -0.00038 134 2S -0.00353 -0.01411 -0.00314 0.00805 -0.01066 135 3S 0.00500 -0.00818 -0.00161 -0.00305 -0.01182 136 4PX -0.00012 -0.00205 -0.00354 -0.00038 -0.00357 137 4PY -0.00030 -0.00089 -0.00076 0.00027 -0.00001 138 4PZ -0.00001 -0.00214 -0.00185 -0.00104 -0.00099 139 5PX 0.00134 0.00145 -0.00066 -0.00049 -0.00233 140 5PY 0.00130 -0.00247 0.00206 -0.00110 -0.00102 141 5PZ -0.00054 0.00060 0.00043 0.00156 0.00246 142 6PX 0.00180 -0.00290 -0.00260 -0.00309 -0.00026 143 6PY 0.00040 -0.00017 -0.00083 -0.00222 0.00141 144 6PZ -0.00124 -0.00132 -0.00084 0.00006 -0.00204 145 7D 0 0.00043 0.00750 0.00893 0.00511 0.01135 146 7D+1 0.00012 0.00579 0.00903 0.00058 0.00563 147 7D-1 -0.00050 0.00900 0.00129 0.00416 0.01173 148 7D+2 0.00028 0.00974 0.00507 0.00495 -0.01272 149 7D-2 -0.00062 0.01694 0.01288 0.00374 0.00788 150 8D 0 0.00005 0.00243 0.00298 0.00167 0.00383 151 8D+1 0.00014 0.00194 0.00308 0.00016 0.00207 152 8D-1 -0.00017 0.00330 0.00024 0.00137 0.00404 153 8D+2 0.00002 0.00332 0.00175 0.00180 -0.00436 154 8D-2 -0.00052 0.00572 0.00447 0.00165 0.00242 155 8 C 1S 0.00067 0.00055 0.00577 -0.00043 0.00268 156 2S -0.00169 -0.00120 -0.01186 0.00074 -0.00503 157 3S -0.00142 0.00103 -0.01207 0.00406 -0.00351 158 4PX 0.00130 0.00329 0.00263 -0.00234 -0.00331 159 4PY -0.00171 0.00235 -0.00232 0.00490 -0.00036 160 4PZ 0.00083 -0.00234 0.00542 -0.00006 0.00054 161 5PX -0.00030 0.00205 -0.00011 -0.00155 0.00022 162 5PY -0.00050 0.00002 -0.00089 0.00091 -0.00032 163 5PZ -0.00042 -0.00157 0.00078 0.00072 0.00043 164 9 O 1S -0.00013 -0.00036 -0.00002 -0.00054 -0.00185 165 2S 0.00052 0.00065 0.00077 0.00083 0.00398 166 3S -0.00009 0.00190 0.00364 0.00194 0.00524 167 4PX -0.00108 -0.00122 -0.00029 0.00246 -0.00949 168 4PY 0.00108 -0.00336 -0.00297 -0.00493 -0.00644 169 4PZ -0.00044 0.00323 -0.00032 0.00181 0.00034 170 5PX -0.00043 -0.00159 -0.00041 0.00158 -0.00419 171 5PY 0.00066 -0.00070 -0.00043 -0.00156 -0.00202 172 5PZ -0.00007 0.00166 -0.00108 0.00000 -0.00042 11 12 13 14 15 11 6PY 0.00832 12 6PZ -0.00050 0.00762 13 7D 0 -0.00322 0.01373 0.74181 14 7D+1 0.01077 0.01815 0.00021 0.74985 15 7D-1 0.02704 0.02720 -0.00064 -0.00085 0.75361 16 7D+2 -0.00808 0.00008 -0.00055 -0.00503 0.00466 17 7D-2 0.01914 0.00303 0.00358 -0.00134 -0.00280 18 8D 0 -0.00107 0.00469 0.24655 0.00057 0.00024 19 8D+1 0.00377 0.00637 0.00067 0.24969 -0.00003 20 8D-1 0.00931 0.00927 0.00026 0.00002 0.24991 21 8D+2 -0.00271 0.00007 -0.00075 -0.00111 0.00083 22 8D-2 0.00661 0.00118 0.00083 0.00019 -0.00024 23 2 Cu 1S 0.00056 0.00023 0.00280 -0.00069 -0.00026 24 2S -0.00441 0.00505 0.04136 -0.00389 0.00293 25 3S 0.00630 0.01465 0.13520 -0.02267 0.10080 26 4PX -0.00114 -0.00113 -0.00272 0.00952 -0.00153 27 4PY 0.00482 -0.00541 -0.01094 -0.00126 0.00438 28 4PZ 0.00430 -0.00477 -0.01421 -0.00194 -0.01029 29 5PX -0.00190 -0.00011 0.00114 -0.03398 0.00250 30 5PY -0.00151 0.00129 0.04006 0.00409 -0.03201 31 5PZ 0.00086 0.00629 0.07335 -0.00638 0.03258 32 6PX -0.00110 0.00073 -0.01735 -0.00597 -0.00154 33 6PY -0.00570 0.00215 -0.01249 -0.00058 -0.03498 34 6PZ -0.00537 0.00301 -0.00426 -0.01620 -0.01700 35 7D 0 0.02002 -0.01435 -0.00965 -0.00404 -0.02149 36 7D+1 -0.01404 -0.00255 -0.00756 0.02513 -0.00179 37 7D-1 -0.00559 -0.00865 -0.02026 -0.00379 0.01868 38 7D+2 0.01693 -0.00075 -0.00007 -0.00026 -0.00638 39 7D-2 -0.00585 -0.00320 -0.00402 0.00976 0.00145 40 8D 0 0.00688 -0.00466 -0.00178 -0.00058 -0.00431 41 8D+1 -0.00468 -0.00104 -0.00327 0.00257 0.00053 42 8D-1 -0.00206 -0.00295 -0.00464 -0.00026 0.00270 43 8D+2 0.00581 -0.00021 -0.00068 -0.00128 0.00003 44 8D-2 -0.00203 -0.00106 -0.00017 0.00198 -0.00022 45 3 Cu 1S 0.00064 0.00048 -0.00095 0.00084 -0.00099 46 2S -0.00431 0.00597 -0.01387 0.01923 -0.00369 47 3S 0.00533 0.00982 -0.06808 0.05445 0.02449 48 4PX 0.00645 0.00000 0.00394 -0.01209 -0.00145 49 4PY 0.00458 -0.00124 0.00119 -0.00388 0.00302 50 4PZ 0.00164 0.00664 0.00835 0.00281 -0.00054 51 5PX 0.00049 0.00310 -0.02720 0.04716 0.00113 52 5PY -0.00200 0.00015 -0.01195 0.01953 -0.00984 53 5PZ -0.00171 0.00001 -0.02202 -0.01764 0.00228 54 6PX -0.00601 0.00130 -0.01593 -0.00275 0.00488 55 6PY -0.00493 0.00172 0.00267 -0.00111 0.00833 56 6PZ -0.00274 -0.00122 0.00730 -0.02164 -0.00429 57 7D 0 -0.00186 -0.00285 0.00322 0.01346 0.00546 58 7D+1 -0.00358 -0.00475 0.02340 0.00605 0.00071 59 7D-1 -0.00519 -0.01752 0.00266 -0.00099 -0.00186 60 7D+2 0.02762 -0.00525 -0.00527 -0.01492 -0.00654 61 7D-2 -0.01613 -0.00743 -0.00734 -0.00426 0.01295 62 8D 0 -0.00055 -0.00118 -0.00020 -0.00016 0.00201 63 8D+1 -0.00118 -0.00190 0.00505 -0.00072 0.00039 64 8D-1 -0.00178 -0.00555 0.00031 0.00006 0.00010 65 8D+2 0.00936 -0.00174 -0.00143 -0.00249 -0.00116 66 8D-2 -0.00561 -0.00257 -0.00236 -0.00060 0.00260 67 4 Cu 1S 0.00049 0.00064 -0.00080 -0.00072 -0.00052 68 2S 0.00083 -0.00431 -0.01966 -0.00259 0.00793 69 3S 0.01383 0.00564 -0.06921 0.00696 0.02863 70 4PX -0.00299 0.00063 0.00309 -0.00001 -0.00244 71 4PY -0.00450 0.00210 0.00816 -0.00040 -0.00497 72 4PZ -0.00262 0.00331 0.00212 0.00123 0.00376 73 5PX -0.00298 0.00074 -0.02558 0.00141 0.01321 74 5PY 0.00346 0.00682 -0.05148 0.00818 0.02457 75 5PZ -0.00463 0.00173 0.00357 -0.02032 -0.03815 76 6PX 0.00516 -0.00055 -0.02775 0.02387 0.02165 77 6PY 0.00731 -0.00781 0.01913 -0.00902 -0.00879 78 6PZ 0.00404 -0.00782 0.03351 -0.00632 -0.02461 79 7D 0 -0.01065 -0.00327 -0.00388 0.00172 0.01145 80 7D+1 -0.01014 0.00442 0.00079 -0.00696 0.00579 81 7D-1 -0.00080 -0.01447 0.02157 0.01057 0.01537 82 7D+2 -0.00629 0.00545 -0.00085 0.00897 0.00601 83 7D-2 0.00232 -0.00159 0.00106 0.00813 -0.00592 84 8D 0 -0.00370 -0.00100 -0.00045 0.00008 0.00152 85 8D+1 -0.00339 0.00143 -0.00071 -0.00174 0.00010 86 8D-1 -0.00056 -0.00455 0.00512 0.00267 0.00224 87 8D+2 -0.00246 0.00196 0.00037 0.00232 0.00147 88 8D-2 0.00069 -0.00033 -0.00014 0.00234 -0.00051 89 5 Cu 1S -0.00034 -0.00027 -0.00016 0.00030 -0.00276 90 2S -0.00193 -0.01224 -0.01661 -0.00282 -0.01429 91 3S -0.00394 -0.01094 0.01714 0.00838 -0.08261 92 4PX -0.00309 0.00056 -0.00012 0.00075 -0.00059 93 4PY -0.00363 0.00015 0.00048 0.00084 -0.00068 94 4PZ -0.00084 -0.00397 -0.00095 0.00006 -0.00189 95 5PX 0.00032 0.00321 -0.00230 0.00029 0.00033 96 5PY -0.00308 -0.00122 0.01130 0.00060 -0.01807 97 5PZ -0.00164 -0.00082 0.00601 -0.00285 -0.01084 98 6PX -0.00104 -0.00095 0.00973 -0.00802 -0.00442 99 6PY -0.00098 0.00248 -0.01084 0.01368 -0.00513 100 6PZ 0.00140 -0.00134 0.01943 -0.00136 0.00148 101 7D 0 0.01511 -0.01428 0.00232 -0.00102 -0.00291 102 7D+1 0.01365 0.00651 0.00143 0.00102 0.00206 103 7D-1 0.00311 0.00375 -0.00019 0.00049 -0.00682 104 7D+2 0.01268 -0.00491 0.00203 -0.00181 0.00371 105 7D-2 0.00004 0.01343 -0.00189 0.00632 -0.00033 106 8D 0 0.00505 -0.00470 0.00089 -0.00040 -0.00163 107 8D+1 0.00452 0.00236 0.00081 0.00084 0.00082 108 8D-1 0.00078 0.00111 -0.00003 -0.00013 -0.00453 109 8D+2 0.00431 -0.00160 0.00003 -0.00048 0.00215 110 8D-2 0.00027 0.00472 -0.00062 0.00273 0.00003 111 6 Cu 1S -0.00060 0.00000 0.00005 -0.00113 -0.00193 112 2S -0.00303 -0.01427 0.00095 0.00014 -0.01179 113 3S -0.01254 -0.01349 -0.01023 -0.06113 -0.06031 114 4PX -0.00054 -0.00069 0.00231 -0.00150 0.00065 115 4PY -0.00364 0.00025 -0.00103 -0.00199 -0.00043 116 4PZ -0.00008 -0.00165 -0.00176 0.00023 -0.00141 117 5PX -0.00389 -0.00046 -0.00572 -0.00447 -0.01393 118 5PY -0.00323 0.00053 0.00214 -0.00201 -0.00394 119 5PZ -0.00561 -0.00388 0.00533 -0.01072 -0.01174 120 6PX -0.00015 -0.00064 0.01043 -0.00779 -0.01855 121 6PY -0.00282 -0.00192 -0.00710 -0.02165 -0.00654 122 6PZ 0.00037 -0.00014 -0.00366 0.00611 0.00114 123 7D 0 -0.00024 -0.00289 0.00210 0.00319 -0.00236 124 7D+1 0.00410 -0.00252 0.00088 -0.00418 -0.00567 125 7D-1 -0.00681 0.00448 0.00049 -0.00517 -0.00100 126 7D+2 -0.00542 -0.00120 0.00418 0.00549 -0.00349 127 7D-2 -0.00171 0.00817 -0.00485 -0.00430 -0.00122 128 8D 0 -0.00030 -0.00105 0.00157 0.00070 -0.00127 129 8D+1 0.00104 -0.00080 -0.00011 -0.00234 -0.00371 130 8D-1 -0.00229 0.00125 0.00008 -0.00182 -0.00103 131 8D+2 -0.00198 -0.00071 0.00160 0.00230 -0.00207 132 8D-2 -0.00060 0.00253 -0.00114 -0.00206 -0.00093 133 7 Cu 1S -0.00025 0.00014 0.00066 0.00038 0.00009 134 2S -0.00092 -0.00683 0.01278 -0.01311 0.00244 135 3S -0.00172 -0.00079 0.00091 0.03280 0.03342 136 4PX -0.00003 -0.00142 0.00086 -0.00043 0.00015 137 4PY -0.00406 0.00055 0.00114 0.00073 -0.00040 138 4PZ -0.00266 -0.00090 0.00081 0.00013 -0.00031 139 5PX -0.00183 -0.00045 -0.00772 0.00756 0.00685 140 5PY -0.00249 0.00047 -0.00287 0.00854 -0.00174 141 5PZ -0.00013 0.00167 0.00262 -0.00221 0.00166 142 6PX 0.00146 0.00002 0.00283 0.00921 0.00785 143 6PY -0.00125 0.00259 -0.00070 0.00901 0.00613 144 6PZ 0.00016 0.00074 -0.01830 0.00805 0.01290 145 7D 0 0.00614 -0.02414 -0.00366 0.00002 0.00186 146 7D+1 0.01338 -0.00713 0.00153 0.00239 0.00160 147 7D-1 0.00130 0.00465 0.00413 0.00304 0.00075 148 7D+2 0.01651 -0.00762 -0.00053 -0.00151 -0.00019 149 7D-2 -0.00336 -0.00606 0.00432 -0.00186 -0.00214 150 8D 0 0.00204 -0.00800 -0.00076 -0.00026 0.00050 151 8D+1 0.00448 -0.00221 0.00080 0.00153 0.00134 152 8D-1 0.00059 0.00172 0.00171 0.00126 0.00018 153 8D+2 0.00544 -0.00253 -0.00009 -0.00087 0.00023 154 8D-2 -0.00141 -0.00208 0.00239 -0.00103 -0.00116 155 8 C 1S 0.00026 0.00372 -0.00275 -0.00171 -0.00139 156 2S 0.00036 -0.00715 0.00682 0.00218 0.00041 157 3S 0.00089 -0.00514 0.01029 0.01706 0.02769 158 4PX 0.00669 -0.00087 -0.00513 0.00142 0.00237 159 4PY 0.00068 -0.00183 0.00518 0.00352 0.00399 160 4PZ 0.00898 -0.00495 -0.00389 -0.00104 0.00244 161 5PX -0.00017 0.00039 0.00736 -0.00164 -0.00660 162 5PY 0.00119 -0.00074 -0.00148 0.00946 0.00323 163 5PZ -0.00050 0.00066 0.00504 -0.00013 0.00195 164 9 O 1S 0.00160 -0.00283 0.00079 0.00037 0.00034 165 2S -0.00324 0.00608 -0.00190 -0.00149 -0.00005 166 3S -0.00421 0.00799 -0.00531 -0.00001 -0.00581 167 4PX 0.01216 -0.00364 0.00487 -0.00188 -0.00193 168 4PY 0.01336 -0.01397 -0.00357 -0.00302 -0.00199 169 4PZ 0.01308 -0.01155 0.00280 0.00069 -0.00077 170 5PX 0.00531 -0.00197 0.00073 -0.00114 0.00075 171 5PY 0.00469 -0.00474 -0.00243 -0.00235 -0.00296 172 5PZ 0.00603 -0.00566 0.00018 -0.00068 -0.00026 16 17 18 19 20 16 7D+2 0.74522 17 7D-2 0.00394 0.75305 18 8D 0 -0.00076 0.00054 0.08199 19 8D+1 -0.00089 0.00019 0.00043 0.08329 20 8D-1 0.00112 -0.00035 0.00025 0.00013 0.08300 21 8D+2 0.24667 0.00144 -0.00044 -0.00011 0.00013 22 8D-2 0.00153 0.24931 0.00007 0.00031 0.00015 23 2 Cu 1S 0.00017 -0.00086 0.00127 -0.00013 0.00007 24 2S 0.00154 -0.00214 0.01414 -0.00021 0.00198 25 3S -0.00516 0.00020 0.04545 -0.00733 0.03437 26 4PX 0.00095 0.00133 -0.00026 0.00374 -0.00023 27 4PY -0.00196 0.00087 -0.00280 -0.00044 0.00246 28 4PZ 0.00280 -0.00059 -0.00200 -0.00020 -0.00207 29 5PX 0.00589 -0.00573 0.00019 -0.01134 0.00079 30 5PY -0.00616 0.00867 0.01348 0.00177 -0.01050 31 5PZ -0.00281 -0.00182 0.02488 -0.00158 0.01130 32 6PX 0.01066 -0.00978 -0.00582 -0.00201 -0.00065 33 6PY -0.00359 0.02542 -0.00420 -0.00027 -0.01206 34 6PZ -0.00596 0.00961 -0.00150 -0.00585 -0.00631 35 7D 0 0.00816 -0.00556 -0.00350 0.00046 -0.00369 36 7D+1 0.00587 0.00932 -0.00243 0.00325 0.00069 37 7D-1 -0.01447 0.00453 -0.00499 -0.00004 0.00321 38 7D+2 -0.00551 0.00080 -0.00118 -0.00173 0.00029 39 7D-2 0.00313 -0.00664 -0.00032 0.00173 -0.00057 40 8D 0 0.00207 -0.00132 -0.00068 0.00042 -0.00028 41 8D+1 0.00193 0.00159 -0.00107 -0.00086 0.00058 42 8D-1 -0.00457 0.00208 -0.00097 0.00033 -0.00007 43 8D+2 -0.00122 0.00046 -0.00062 -0.00097 0.00081 44 8D-2 0.00148 -0.00111 0.00029 0.00018 -0.00040 45 3 Cu 1S 0.00243 -0.00081 -0.00040 0.00054 -0.00032 46 2S 0.03331 -0.00757 -0.00417 0.00743 -0.00034 47 3S 0.13455 0.05356 -0.02285 0.01850 0.00821 48 4PX -0.01063 -0.00522 0.00030 -0.00243 -0.00016 49 4PY -0.00642 0.00716 0.00006 -0.00098 0.00113 50 4PZ -0.00755 -0.00239 0.00254 0.00229 -0.00007 51 5PX 0.05759 0.00516 -0.00897 0.01645 0.00074 52 5PY 0.00562 -0.03837 -0.00389 0.00679 -0.00316 53 5PZ 0.03480 0.00372 -0.00719 -0.00585 0.00082 54 6PX -0.01337 -0.02403 -0.00527 -0.00135 0.00128 55 6PY -0.02720 -0.02964 0.00107 -0.00042 0.00284 56 6PZ -0.00282 -0.00088 0.00251 -0.00742 -0.00159 57 7D 0 -0.00640 0.00046 -0.00068 0.00010 0.00191 58 7D+1 -0.01159 -0.00757 0.00588 -0.00001 0.00085 59 7D-1 -0.00744 0.01277 0.00028 -0.00050 -0.00019 60 7D+2 -0.00911 -0.00981 -0.00082 -0.00307 -0.00066 61 7D-2 -0.01308 0.02368 -0.00240 -0.00009 0.00294 62 8D 0 -0.00122 0.00132 -0.00065 -0.00153 0.00069 63 8D+1 -0.00182 -0.00159 0.00105 -0.00091 0.00032 64 8D-1 -0.00164 0.00188 -0.00008 -0.00002 0.00020 65 8D+2 -0.00236 -0.00163 -0.00017 -0.00019 0.00012 66 8D-2 -0.00462 0.00435 -0.00077 0.00023 0.00039 67 4 Cu 1S -0.00098 -0.00014 -0.00034 -0.00033 -0.00034 68 2S -0.02841 0.01417 -0.00657 -0.00084 0.00276 69 3S -0.10988 0.05600 -0.02310 0.00210 0.00926 70 4PX 0.00557 0.00300 0.00084 0.00004 -0.00077 71 4PY 0.01206 -0.00832 0.00207 -0.00002 -0.00124 72 4PZ 0.00297 -0.00264 0.00055 0.00061 0.00219 73 5PX -0.02101 -0.03961 -0.00852 0.00064 0.00473 74 5PY -0.08609 0.05359 -0.01676 0.00334 0.00890 75 5PZ -0.00449 0.01119 0.00149 -0.00682 -0.01229 76 6PX 0.01647 -0.05210 -0.00923 0.00783 0.00719 77 6PY 0.02454 -0.00497 0.00622 -0.00330 -0.00298 78 6PZ 0.00151 0.02699 0.01114 -0.00219 -0.00825 79 7D 0 -0.00286 0.00067 -0.00129 0.00003 0.00164 80 7D+1 0.00413 0.00356 -0.00025 -0.00150 0.00078 81 7D-1 0.01281 -0.00710 0.00599 0.00281 0.00241 82 7D+2 0.00264 0.01558 -0.00095 0.00210 0.00163 83 7D-2 0.02334 0.00849 0.00020 0.00280 -0.00079 84 8D 0 -0.00057 0.00018 -0.00014 -0.00013 -0.00019 85 8D+1 -0.00055 0.00029 -0.00040 -0.00029 -0.00031 86 8D-1 0.00294 -0.00051 0.00133 0.00065 -0.00012 87 8D+2 0.00154 0.00204 -0.00008 0.00049 0.00033 88 8D-2 0.00418 0.00037 -0.00008 0.00080 0.00021 89 5 Cu 1S 0.00060 0.00101 0.00000 0.00010 -0.00081 90 2S 0.01165 0.00254 -0.00614 -0.00180 -0.00602 91 3S 0.01333 0.06948 0.00560 0.00293 -0.02833 92 4PX 0.00019 -0.00028 0.00007 0.00008 -0.00034 93 4PY 0.00096 -0.00034 0.00029 0.00008 0.00027 94 4PZ 0.00075 0.00051 -0.00046 0.00001 -0.00046 95 5PX 0.00381 -0.00287 -0.00072 0.00036 0.00044 96 5PY -0.00155 0.00855 0.00385 0.00040 -0.00630 97 5PZ -0.00056 0.01322 0.00196 -0.00110 -0.00369 98 6PX -0.00924 0.01787 0.00314 -0.00283 -0.00149 99 6PY -0.00889 0.01176 -0.00356 0.00480 -0.00157 100 6PZ 0.00801 0.01087 0.00647 -0.00021 0.00081 101 7D 0 0.00227 0.00118 0.00064 -0.00071 -0.00175 102 7D+1 0.00045 0.00120 0.00060 0.00062 0.00070 103 7D-1 0.00558 -0.00145 -0.00015 -0.00001 -0.00447 104 7D+2 -0.00122 0.00088 0.00016 -0.00047 0.00201 105 7D-2 -0.00001 0.00178 -0.00068 0.00268 0.00024 106 8D 0 0.00089 0.00154 0.00026 -0.00026 -0.00079 107 8D+1 0.00086 0.00055 0.00032 0.00038 0.00031 108 8D-1 0.00312 -0.00045 -0.00007 -0.00015 -0.00226 109 8D+2 -0.00058 -0.00016 -0.00015 -0.00011 0.00100 110 8D-2 -0.00039 0.00095 -0.00023 0.00113 0.00018 111 6 Cu 1S 0.00023 -0.00159 0.00008 -0.00032 -0.00062 112 2S -0.00227 -0.00776 -0.00035 -0.00181 -0.00512 113 3S 0.00571 -0.05228 -0.00399 -0.02250 -0.02091 114 4PX -0.00172 -0.00133 0.00088 -0.00034 0.00049 115 4PY 0.00051 -0.00036 -0.00026 -0.00038 -0.00024 116 4PZ 0.00123 0.00016 -0.00056 0.00026 -0.00031 117 5PX 0.00728 -0.00616 -0.00196 -0.00186 -0.00489 118 5PY 0.00092 -0.00437 0.00074 -0.00090 -0.00112 119 5PZ -0.00017 -0.01431 0.00160 -0.00401 -0.00435 120 6PX 0.00151 0.01386 0.00338 -0.00248 -0.00599 121 6PY 0.00268 -0.01241 -0.00234 -0.00732 -0.00245 122 6PZ 0.00121 -0.01917 -0.00113 0.00211 0.00064 123 7D 0 0.00213 -0.00466 0.00109 0.00090 -0.00135 124 7D+1 0.00121 -0.00387 0.00005 -0.00182 -0.00315 125 7D-1 -0.00060 -0.00199 0.00022 -0.00240 -0.00087 126 7D+2 0.00329 -0.00116 0.00147 0.00189 -0.00184 127 7D-2 0.00120 -0.00119 -0.00155 -0.00205 -0.00091 128 8D 0 0.00034 -0.00270 0.00065 0.00019 -0.00063 129 8D+1 0.00073 -0.00245 -0.00013 -0.00094 -0.00169 130 8D-1 0.00004 -0.00146 0.00003 -0.00086 -0.00056 131 8D+2 0.00160 -0.00060 0.00057 0.00079 -0.00095 132 8D-2 0.00017 -0.00072 -0.00036 -0.00092 -0.00049 133 7 Cu 1S -0.00106 -0.00274 0.00014 0.00017 0.00005 134 2S -0.01090 -0.01302 0.00408 -0.00534 -0.00002 135 3S -0.02814 -0.09565 0.00056 0.01102 0.01111 136 4PX -0.00081 -0.00166 -0.00001 -0.00010 0.00013 137 4PY 0.00051 -0.00046 0.00018 0.00013 -0.00009 138 4PZ -0.00073 -0.00078 0.00003 0.00004 -0.00018 139 5PX -0.00230 -0.01786 -0.00263 0.00239 0.00233 140 5PY -0.00038 -0.01714 -0.00082 0.00312 -0.00067 141 5PZ 0.00038 -0.00174 0.00095 -0.00063 0.00065 142 6PX 0.01122 -0.00450 0.00101 0.00336 0.00281 143 6PY -0.02241 -0.00050 -0.00015 0.00317 0.00226 144 6PZ 0.00766 -0.01237 -0.00616 0.00256 0.00429 145 7D 0 0.00266 0.00413 -0.00063 -0.00019 0.00103 146 7D+1 0.00054 -0.00135 0.00123 0.00080 0.00109 147 7D-1 -0.00240 -0.00039 0.00173 0.00134 0.00074 148 7D+2 0.00328 -0.00469 -0.00015 -0.00104 -0.00021 149 7D-2 0.00079 -0.00562 0.00266 -0.00106 -0.00123 150 8D 0 0.00121 0.00261 -0.00006 -0.00015 0.00031 151 8D+1 0.00031 -0.00113 0.00051 0.00052 0.00065 152 8D-1 -0.00121 -0.00028 0.00069 0.00053 0.00023 153 8D+2 0.00076 -0.00251 -0.00003 -0.00049 0.00002 154 8D-2 0.00056 -0.00409 0.00119 -0.00054 -0.00060 155 8 C 1S -0.00384 0.00002 -0.00081 -0.00052 -0.00037 156 2S 0.00999 -0.00253 0.00203 0.00070 0.00029 157 3S 0.01407 0.01677 0.00346 0.00579 0.00908 158 4PX -0.00308 0.00249 -0.00189 0.00067 0.00096 159 4PY 0.00652 0.00127 0.00228 0.00142 0.00112 160 4PZ -0.00889 0.00462 -0.00154 -0.00019 0.00112 161 5PX 0.00816 0.00570 0.00245 -0.00044 -0.00218 162 5PY -0.00756 0.00368 -0.00052 0.00332 0.00104 163 5PZ 0.01127 -0.01132 0.00171 0.00006 0.00068 164 9 O 1S 0.00116 -0.00008 0.00041 0.00014 -0.00007 165 2S -0.00211 0.00042 -0.00091 -0.00050 0.00036 166 3S -0.01068 -0.00061 -0.00175 0.00009 -0.00171 167 4PX 0.00310 -0.00067 0.00171 -0.00080 -0.00054 168 4PY -0.00355 -0.00098 -0.00191 -0.00117 -0.00036 169 4PZ 0.00781 -0.00420 0.00091 0.00010 -0.00052 170 5PX -0.00021 -0.00168 0.00026 -0.00052 0.00030 171 5PY -0.00296 -0.00101 -0.00093 -0.00085 -0.00095 172 5PZ 0.00239 0.00043 -0.00005 -0.00036 -0.00018 21 22 23 24 25 21 8D+2 0.08169 22 8D-2 0.00057 0.08264 23 2 Cu 1S 0.00002 -0.00029 1.00491 24 2S 0.00077 -0.00010 0.00633 0.14732 25 3S -0.00191 -0.00008 0.01096 0.04392 0.23083 26 4PX 0.00024 0.00049 0.00118 0.00536 -0.02493 27 4PY -0.00085 0.00023 0.00181 0.01267 -0.03296 28 4PZ 0.00065 0.00002 -0.00177 -0.01289 0.03646 29 5PX 0.00204 -0.00198 -0.00169 -0.00532 -0.03084 30 5PY -0.00211 0.00309 -0.00189 -0.01957 -0.04003 31 5PZ -0.00086 -0.00034 0.00205 0.02070 0.03906 32 6PX 0.00365 -0.00328 -0.00209 0.00820 -0.01824 33 6PY -0.00094 0.00854 -0.00156 0.01055 -0.01475 34 6PZ -0.00178 0.00290 0.00147 -0.01239 0.01185 35 7D 0 0.00216 -0.00103 -0.00067 -0.01118 -0.02867 36 7D+1 0.00213 0.00188 -0.00029 0.00181 0.02999 37 7D-1 -0.00458 0.00224 0.00078 -0.00463 -0.09234 38 7D+2 -0.00151 0.00022 0.00093 0.01899 0.06421 39 7D-2 0.00163 -0.00146 0.00022 -0.00090 -0.03635 40 8D 0 0.00049 -0.00016 -0.00027 -0.00342 -0.00926 41 8D+1 0.00070 0.00011 -0.00023 -0.00168 0.00865 42 8D-1 -0.00145 0.00093 0.00007 -0.00123 -0.03125 43 8D+2 -0.00030 0.00015 0.00043 0.00561 0.02119 44 8D-2 0.00070 -0.00010 0.00015 0.00204 -0.01098 45 3 Cu 1S 0.00105 -0.00018 -0.00129 -0.00454 -0.00223 46 2S 0.01135 -0.00172 -0.00453 0.03169 -0.02491 47 3S 0.04524 0.01858 -0.00221 -0.02514 -0.04264 48 4PX -0.00155 -0.00105 -0.00151 -0.01763 -0.00919 49 4PY -0.00153 0.00307 0.00023 -0.00071 0.00904 50 4PZ -0.00157 -0.00045 0.00050 0.00447 0.00745 51 5PX 0.01946 0.00205 -0.00184 0.02618 -0.01565 52 5PY 0.00178 -0.01267 0.00041 0.01000 0.00253 53 5PZ 0.01162 0.00132 0.00093 -0.00813 0.00417 54 6PX -0.00443 -0.00862 -0.00019 -0.00708 -0.00647 55 6PY -0.00910 -0.01024 -0.00056 0.00634 0.00005 56 6PZ -0.00094 -0.00058 0.00047 0.00207 0.01341 57 7D 0 -0.00066 0.00124 0.00054 0.00827 0.02101 58 7D+1 -0.00212 -0.00121 -0.00165 -0.03338 -0.14035 59 7D-1 -0.00169 0.00186 -0.00039 -0.00715 -0.01477 60 7D+2 -0.00366 -0.00042 -0.00009 0.00658 0.07561 61 7D-2 -0.00430 0.00454 0.00214 0.01268 0.01173 62 8D 0 0.00006 0.00077 0.00024 0.00219 0.00799 63 8D+1 -0.00004 -0.00010 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-0.01511 -0.02645 36 7D+1 0.00029 -0.00069 -0.00136 -0.01726 0.00231 37 7D-1 0.00073 -0.00167 0.00203 0.00108 -0.01035 38 7D+2 0.00094 0.00026 0.00187 0.02832 -0.04054 39 7D-2 -0.00018 -0.00140 -0.00049 0.01928 0.02257 40 8D 0 -0.00019 0.00043 0.00029 -0.00498 -0.00874 41 8D+1 0.00063 -0.00002 -0.00096 -0.00502 0.00126 42 8D-1 0.00039 0.00016 -0.00019 0.00032 -0.00299 43 8D+2 0.00023 0.00024 0.00031 0.00939 -0.01317 44 8D-2 -0.00048 -0.00086 0.00007 0.00582 0.00706 45 3 Cu 1S 0.00100 -0.00016 -0.00125 0.00155 -0.00010 46 2S 0.00965 -0.00487 -0.01465 -0.01396 0.01603 47 3S 0.01165 0.00578 -0.00708 0.00949 -0.00139 48 4PX 0.00093 -0.00011 0.00118 0.00207 -0.00261 49 4PY 0.00111 0.00072 0.00014 -0.00492 -0.00175 50 4PZ -0.00069 0.00127 0.00088 -0.00133 -0.00150 51 5PX 0.00072 0.00160 -0.00650 0.00538 0.00181 52 5PY -0.00145 -0.00286 -0.00138 0.00285 0.00287 53 5PZ -0.00255 -0.00330 0.00031 -0.00315 0.00463 54 6PX 0.00292 0.00282 0.00389 0.00662 -0.00036 55 6PY 0.00000 0.00324 0.00284 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0.00341 135 3S -0.00546 -0.00194 0.00122 -0.01071 -0.00355 136 4PX -0.00048 -0.00035 0.00028 -0.00203 -0.00152 137 4PY -0.00061 0.00051 0.00085 0.00050 -0.00073 138 4PZ 0.00054 0.00091 0.00055 -0.00036 -0.00182 139 5PX -0.00116 -0.00006 -0.00022 0.00355 0.00105 140 5PY -0.00017 -0.00189 -0.00160 0.00003 0.00660 141 5PZ 0.00033 -0.00158 -0.00202 -0.00011 0.00359 142 6PX -0.00308 -0.00005 0.00004 -0.00529 -0.00448 143 6PY -0.00005 -0.00206 0.00081 -0.00019 -0.00259 144 6PZ -0.00004 0.00117 -0.00148 -0.00007 -0.00063 145 7D 0 -0.00028 -0.00211 -0.00167 -0.00569 0.00105 146 7D+1 -0.00101 0.00100 0.00158 -0.00995 -0.01440 147 7D-1 -0.00194 0.00035 -0.00021 0.00095 -0.00255 148 7D+2 0.00067 -0.00091 -0.00157 0.00728 0.00984 149 7D-2 0.00093 0.00179 0.00082 0.00981 0.00384 150 8D 0 -0.00012 -0.00065 -0.00067 -0.00205 0.00025 151 8D+1 -0.00020 0.00066 0.00045 -0.00346 -0.00516 152 8D-1 -0.00044 0.00007 -0.00003 -0.00009 -0.00097 153 8D+2 0.00027 -0.00045 -0.00045 0.00266 0.00331 154 8D-2 0.00021 0.00060 0.00060 0.00338 0.00165 155 8 C 1S 0.00076 0.00034 -0.00026 -0.00118 0.00006 156 2S -0.00226 -0.00089 0.00086 0.00221 -0.00196 157 3S -0.00001 0.00020 -0.00093 0.00515 -0.00212 158 4PX -0.00114 0.00016 -0.00032 0.00435 0.00280 159 4PY -0.00205 -0.00160 -0.00072 0.00304 -0.00264 160 4PZ 0.00104 -0.00254 -0.00226 -0.00170 0.00666 161 5PX -0.00110 -0.00223 0.00248 0.00197 0.00089 162 5PY 0.00033 -0.00030 -0.00101 0.00177 0.00394 163 5PZ -0.00034 -0.00052 -0.00099 -0.00125 0.00139 164 9 O 1S -0.00012 -0.00008 0.00016 0.00009 0.00196 165 2S 0.00043 0.00018 -0.00041 -0.00041 -0.00382 166 3S 0.00009 0.00037 -0.00081 0.00009 -0.00332 167 4PX 0.00146 0.00020 0.00001 -0.00478 -0.00308 168 4PY 0.00124 0.00144 0.00056 -0.00192 0.00143 169 4PZ -0.00045 0.00299 0.00242 0.00175 -0.01114 170 5PX 0.00100 0.00098 -0.00092 -0.00313 -0.00175 171 5PY 0.00031 0.00050 0.00049 -0.00095 -0.00130 172 5PZ -0.00011 0.00177 0.00147 0.00113 -0.00555 31 32 33 34 35 31 5PZ 0.03235 32 6PX -0.00157 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0.00612 -0.00007 0.00791 94 4PZ -0.00382 -0.00129 -0.00104 0.00119 0.00454 95 5PX 0.00238 0.00364 -0.00237 0.00158 -0.00411 96 5PY 0.00290 -0.00085 0.00878 0.00101 -0.02748 97 5PZ 0.00149 -0.00161 0.00532 0.00265 -0.02378 98 6PX 0.00001 -0.00167 0.00237 0.00014 0.00267 99 6PY -0.00026 -0.00019 0.00324 0.00167 -0.00700 100 6PZ -0.00052 -0.00011 -0.00616 -0.00709 0.02415 101 7D 0 0.00837 0.00108 -0.01128 -0.00947 -0.00818 102 7D+1 0.00772 0.01393 0.00383 0.01918 -0.00170 103 7D-1 0.03887 0.00049 0.01619 0.03130 0.01189 104 7D+2 0.02953 0.01938 0.00379 -0.00802 -0.00648 105 7D-2 0.00561 0.00298 -0.01427 -0.00299 -0.00281 106 8D 0 0.00282 0.00037 -0.00375 -0.00308 -0.00251 107 8D+1 0.00262 0.00468 0.00102 0.00645 -0.00008 108 8D-1 0.01292 0.00001 0.00599 0.01080 0.00056 109 8D+2 0.00999 0.00654 0.00110 -0.00285 -0.00264 110 8D-2 0.00223 0.00102 -0.00529 -0.00109 -0.00123 111 6 Cu 1S 0.00029 0.00046 0.00022 0.00125 0.00080 112 2S -0.01330 0.00502 -0.00007 -0.00826 -0.00299 113 3S 0.00249 0.01696 0.00561 0.00874 -0.05563 114 4PX 0.00237 0.00055 -0.00277 -0.00405 0.00622 115 4PY -0.00190 -0.00404 0.00546 -0.00078 0.00720 116 4PZ -0.00143 0.00155 0.00176 0.00418 0.00362 117 5PX -0.00144 0.01001 0.00596 0.00181 -0.02608 118 5PY 0.00495 0.00246 0.00290 0.00252 -0.02248 119 5PZ 0.00246 0.00174 0.00117 0.00292 -0.02664 120 6PX -0.00071 0.00310 -0.00274 0.00191 0.00212 121 6PY 0.00077 0.00236 0.00355 0.00509 -0.01829 122 6PZ 0.00291 -0.00285 -0.00025 -0.00307 0.01012 123 7D 0 -0.00752 0.02055 -0.00807 0.00662 -0.01139 124 7D+1 0.01509 0.00357 0.00849 -0.01093 0.00834 125 7D-1 0.01111 0.00077 0.01353 0.00004 0.00844 126 7D+2 0.00174 -0.00600 0.01452 0.01576 -0.00016 127 7D-2 -0.01110 -0.00136 -0.01082 0.01606 0.00679 128 8D 0 -0.00270 0.00712 -0.00272 0.00210 -0.00395 129 8D+1 0.00493 0.00147 0.00315 -0.00317 -0.00003 130 8D-1 0.00328 0.00068 0.00454 0.00019 0.00109 131 8D+2 0.00032 -0.00196 0.00507 0.00521 -0.00024 132 8D-2 -0.00370 -0.00049 -0.00374 0.00528 0.00227 133 7 Cu 1S 0.00001 0.00030 -0.00111 0.00068 0.00101 134 2S -0.00553 -0.00819 -0.01045 0.00203 0.01001 135 3S 0.00271 -0.00816 -0.01640 0.00298 0.01408 136 4PX 0.00180 -0.00001 -0.00274 0.00135 0.00009 137 4PY -0.00139 -0.00044 0.00050 0.00247 0.00141 138 4PZ -0.00144 -0.00050 0.00201 -0.00046 0.00031 139 5PX -0.00130 0.00192 -0.00344 0.00091 0.00084 140 5PY 0.00283 0.00033 -0.00152 0.00123 -0.00631 141 5PZ 0.00696 -0.00008 0.00291 0.00019 -0.00470 142 6PX 0.00454 -0.00347 -0.00034 -0.00302 0.00128 143 6PY -0.00013 -0.00157 -0.00026 0.00107 0.00836 144 6PZ -0.00205 0.00149 -0.00107 -0.00135 0.00102 145 7D 0 0.01144 -0.00689 -0.02175 -0.01266 -0.00013 146 7D+1 0.00457 -0.01653 -0.00891 -0.00534 -0.00258 147 7D-1 0.00486 -0.01445 0.00306 -0.01203 -0.00498 148 7D+2 -0.00141 0.01189 -0.00505 -0.00891 -0.00295 149 7D-2 -0.01364 0.01294 -0.00963 -0.00902 -0.00062 150 8D 0 0.00381 -0.00237 -0.00708 -0.00414 0.00032 151 8D+1 0.00190 -0.00564 -0.00262 -0.00179 -0.00110 152 8D-1 0.00181 -0.00485 0.00104 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65 8D+2 -0.00141 -0.00014 0.00021 -0.00055 0.08126 66 8D-2 0.24315 -0.00039 0.00085 -0.00090 -0.00054 67 4 Cu 1S 0.00001 0.00029 0.00019 -0.00025 -0.00003 68 2S -0.03454 -0.00552 0.00343 -0.00503 -0.00349 69 3S -0.12340 -0.02321 0.00901 -0.01103 -0.01487 70 4PX -0.00780 -0.00077 -0.00004 -0.00138 -0.00199 71 4PY 0.01228 0.00107 -0.00122 0.00100 0.00006 72 4PZ -0.00131 -0.00148 -0.00061 0.00101 -0.00024 73 5PX 0.05187 0.00985 -0.00358 0.00935 0.00022 74 5PY -0.07478 -0.01643 0.01027 -0.00756 -0.01229 75 5PZ 0.02066 0.01558 -0.00332 -0.00016 0.00149 76 6PX -0.01098 -0.00133 0.00145 -0.00053 0.00718 77 6PY 0.00598 0.00365 0.00175 -0.00276 0.00680 78 6PZ 0.00095 0.00021 -0.00281 0.00372 0.00259 79 7D 0 -0.00230 -0.00336 0.00163 -0.00261 -0.00047 80 7D+1 0.00080 -0.00095 -0.00026 -0.00424 0.00096 81 7D-1 -0.00274 0.00121 -0.00530 0.00237 0.00107 82 7D+2 -0.00865 0.00072 0.00073 0.00106 0.00381 83 7D-2 -0.00928 0.00073 -0.00020 -0.00027 -0.00196 84 8D 0 0.00006 -0.00096 0.00030 -0.00051 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0.00146 0.00082 164 9 O 1S 0.00029 0.00006 -0.00027 0.00030 0.00012 165 2S -0.00099 -0.00012 0.00076 -0.00071 -0.00031 166 3S 0.00067 -0.00074 0.00022 -0.00098 -0.00045 167 4PX -0.00553 -0.00041 -0.00017 -0.00090 0.00046 168 4PY -0.00041 -0.00018 0.00135 -0.00174 0.00022 169 4PZ 0.00891 0.00007 0.00011 0.00040 0.00108 170 5PX -0.00256 -0.00034 0.00025 0.00017 0.00069 171 5PY 0.00137 0.00039 0.00031 -0.00061 0.00025 172 5PZ 0.00338 -0.00013 0.00084 -0.00049 0.00042 66 67 68 69 70 66 8D-2 0.07991 67 4 Cu 1S 0.00025 0.99806 68 2S -0.01108 -0.00013 0.11335 69 3S -0.04153 0.02312 -0.00278 0.30990 70 4PX -0.00176 0.00079 0.00096 -0.00895 0.99986 71 4PY 0.00346 -0.00070 0.00151 0.00386 -0.00136 72 4PZ -0.00056 0.00125 0.00091 -0.01309 0.00085 73 5PX 0.01771 -0.00526 -0.00981 -0.05304 0.01192 74 5PY -0.02502 0.01053 0.01744 0.10362 0.00290 75 5PZ 0.00653 -0.00986 -0.01773 -0.09842 -0.00014 76 6PX -0.00343 -0.00136 0.00858 -0.01229 -0.01327 77 6PY 0.00184 -0.00260 -0.01486 -0.00862 -0.00338 78 6PZ 0.00023 -0.00121 0.01537 -0.01462 0.00544 79 7D 0 -0.00074 -0.00054 -0.00835 0.00960 0.00243 80 7D+1 0.00000 -0.00037 -0.02365 0.01393 -0.00124 81 7D-1 -0.00067 -0.00013 0.04482 -0.00996 -0.00362 82 7D+2 -0.00206 -0.00072 0.01638 0.00356 -0.00429 83 7D-2 -0.00235 0.00013 0.02442 -0.00732 0.00103 84 8D 0 0.00003 -0.00015 -0.00294 0.00343 0.00052 85 8D+1 -0.00026 -0.00037 -0.00772 0.00432 -0.00040 86 8D-1 0.00014 0.00099 0.01373 -0.00037 -0.00079 87 8D+2 -0.00021 0.00032 0.00469 0.00275 -0.00110 88 8D-2 -0.00036 0.00057 0.00755 -0.00092 0.00029 89 5 Cu 1S 0.00072 -0.00084 -0.00259 -0.00378 -0.00049 90 2S 0.00570 -0.00197 0.04057 -0.01989 -0.00801 91 3S 0.00572 -0.00495 0.02681 -0.06604 -0.00372 92 4PX -0.00034 0.00023 0.00383 0.01114 0.00085 93 4PY 0.00018 -0.00061 -0.00494 -0.00796 0.00052 94 4PZ -0.00007 0.00039 -0.00468 -0.03765 -0.00041 95 5PX -0.00023 0.00066 -0.00544 0.00927 -0.00349 96 5PY 0.00188 -0.00061 0.00554 -0.01048 -0.00167 97 5PZ -0.00048 -0.00218 0.01194 -0.01625 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0.00000 0.00000 169 4PZ 0.00003 -0.00082 0.00997 0.00000 0.00000 170 5PX 0.01169 -0.00016 0.00007 0.00000 0.00000 171 5PY -0.00008 0.00210 0.00020 0.00000 0.00000 172 5PZ 0.00008 -0.00013 0.00951 0.00000 0.00000 166 167 168 169 170 166 3S 0.54072 167 4PX 0.00000 0.83962 168 4PY 0.00000 0.00000 0.85289 169 4PZ 0.00000 0.00000 0.00000 0.84483 170 5PX 0.00000 0.16770 0.00000 0.00000 0.13416 171 5PY 0.00000 0.00000 0.09800 0.00000 0.00000 172 5PZ 0.00000 0.00000 0.00000 0.15560 0.00000 171 172 171 5PY 0.05913 172 5PZ 0.00000 0.12055 Gross orbital populations: TOTAL ALPHA BETA SPIN 1 1 Cu 1S 2.00551 1.00275 1.00276 -0.00001 2 2S 0.71311 0.37370 0.33941 0.03429 3 3S 0.33976 0.17749 0.16227 0.01521 4 4PX 1.99472 0.99735 0.99736 -0.00001 5 4PY 1.99442 0.99722 0.99720 0.00003 6 4PZ 1.99471 0.99735 0.99735 0.00000 7 5PX 0.06127 0.03266 0.02861 0.00405 8 5PY 0.05150 0.02926 0.02224 0.00702 9 5PZ 0.06810 0.03931 0.02879 0.01051 10 6PX 0.01003 0.00443 0.00560 -0.00117 11 6PY -0.00937 -0.00828 -0.00109 -0.00719 12 6PZ 0.00436 -0.00011 0.00446 -0.00457 13 7D 0 1.63547 0.81811 0.81736 0.00075 14 7D+1 1.65240 0.82710 0.82530 0.00179 15 7D-1 1.65760 0.82862 0.82898 -0.00036 16 7D+2 1.64117 0.82049 0.82067 -0.00018 17 7D-2 1.65626 0.82792 0.82834 -0.00042 18 8D 0 0.32589 0.16315 0.16275 0.00040 19 8D+1 0.32539 0.16273 0.16266 0.00008 20 8D-1 0.32325 0.16188 0.16137 0.00051 21 8D+2 0.32425 0.16234 0.16191 0.00043 22 8D-2 0.32286 0.16165 0.16121 0.00044 23 2 Cu 1S 2.00465 1.00233 1.00233 0.00000 24 2S 0.62711 0.32926 0.29784 0.03142 25 3S 0.02588 0.02350 0.00238 0.02112 26 4PX 1.99485 0.99752 0.99734 0.00018 27 4PY 1.99488 0.99745 0.99743 0.00002 28 4PZ 1.99491 0.99749 0.99741 0.00008 29 5PX 0.13046 0.08753 0.04294 0.04459 30 5PY 0.15768 0.08710 0.07058 0.01652 31 5PZ 0.16044 0.09610 0.06435 0.03175 32 6PX 0.00877 0.00241 0.00636 -0.00396 33 6PY 0.02435 0.01881 0.00554 0.01327 34 6PZ -0.00061 -0.00195 0.00133 -0.00328 35 7D 0 1.65231 0.82640 0.82590 0.00050 36 7D+1 1.64921 0.82358 0.82563 -0.00205 37 7D-1 1.62950 0.81513 0.81437 0.00075 38 7D+2 1.65053 0.82830 0.82224 0.00606 39 7D-2 1.64822 0.82311 0.82511 -0.00200 40 8D 0 0.31802 0.15934 0.15867 0.00067 41 8D+1 0.31975 0.16035 0.15940 0.00096 42 8D-1 0.32109 0.16085 0.16024 0.00061 43 8D+2 0.31748 0.15847 0.15901 -0.00054 44 8D-2 0.32037 0.16064 0.15973 0.00091 45 3 Cu 1S 2.00466 1.00233 1.00233 0.00000 46 2S 0.62705 0.32998 0.29706 0.03292 47 3S 0.02672 0.02419 0.00252 0.02167 48 4PX 1.99487 0.99743 0.99744 -0.00001 49 4PY 1.99466 0.99733 0.99732 0.00001 50 4PZ 1.99510 0.99769 0.99741 0.00028 51 5PX 0.16394 0.08530 0.07864 0.00667 52 5PY 0.12841 0.06969 0.05872 0.01097 53 5PZ 0.15517 0.11534 0.03983 0.07551 54 6PX 0.00423 0.00120 0.00303 -0.00183 55 6PY 0.01977 0.01576 0.00401 0.01176 56 6PZ 0.00778 0.00203 0.00576 -0.00373 57 7D 0 1.65546 0.82985 0.82562 0.00423 58 7D+1 1.64194 0.82071 0.82123 -0.00051 59 7D-1 1.64825 0.82424 0.82401 0.00023 60 7D+2 1.65315 0.82619 0.82696 -0.00077 61 7D-2 1.63105 0.81553 0.81551 0.00002 62 8D 0 0.31748 0.15866 0.15882 -0.00016 63 8D+1 0.32011 0.16047 0.15963 0.00084 64 8D-1 0.31948 0.16016 0.15932 0.00083 65 8D+2 0.31838 0.15953 0.15885 0.00068 66 8D-2 0.32125 0.16088 0.16036 0.00052 67 4 Cu 1S 1.99779 0.99887 0.99892 -0.00004 68 2S 0.58645 0.32071 0.26574 0.05497 69 3S -0.28800 -0.14136 -0.14664 0.00528 70 4PX 1.99534 0.99768 0.99766 0.00003 71 4PY 1.99546 0.99773 0.99773 0.00000 72 4PZ 1.99546 0.99773 0.99773 0.00000 73 5PX 0.27576 0.14123 0.13453 0.00669 74 5PY 0.31622 0.15982 0.15640 0.00342 75 5PZ 0.28125 0.14086 0.14039 0.00048 76 6PX -0.05109 -0.02373 -0.02736 0.00362 77 6PY 0.01234 -0.00014 0.01249 -0.01263 78 6PZ -0.01892 -0.00634 -0.01258 0.00623 79 7D 0 1.63138 0.81682 0.81456 0.00226 80 7D+1 1.65399 0.83228 0.82171 0.01057 81 7D-1 1.62859 0.82280 0.80579 0.01700 82 7D+2 1.62748 0.81210 0.81538 -0.00328 83 7D-2 1.63663 0.82172 0.81491 0.00680 84 8D 0 0.30846 0.15415 0.15430 -0.00015 85 8D+1 0.30383 0.15083 0.15301 -0.00218 86 8D-1 0.30405 0.14986 0.15418 -0.00432 87 8D+2 0.30866 0.15465 0.15400 0.00065 88 8D-2 0.30775 0.15306 0.15469 -0.00163 89 5 Cu 1S 2.00551 1.00275 1.00276 -0.00001 90 2S 0.70302 0.36624 0.33678 0.02946 91 3S 0.34393 0.17692 0.16701 0.00990 92 4PX 1.99471 0.99735 0.99736 -0.00001 93 4PY 1.99468 0.99735 0.99734 0.00001 94 4PZ 1.99444 0.99726 0.99718 0.00007 95 5PX 0.06489 0.03563 0.02927 0.00636 96 5PY 0.07493 0.04483 0.03010 0.01473 97 5PZ 0.06463 0.04032 0.02431 0.01601 98 6PX 0.01332 0.00647 0.00685 -0.00038 99 6PY 0.00603 0.00624 -0.00020 0.00644 100 6PZ -0.00128 0.00077 -0.00205 0.00281 101 7D 0 1.64178 0.82177 0.82001 0.00176 102 7D+1 1.65637 0.82847 0.82791 0.00056 103 7D-1 1.65547 0.82776 0.82771 0.00006 104 7D+2 1.63781 0.81866 0.81915 -0.00050 105 7D-2 1.65213 0.82707 0.82506 0.00201 106 8D 0 0.32383 0.16196 0.16188 0.00008 107 8D+1 0.32280 0.16152 0.16128 0.00024 108 8D-1 0.32351 0.16196 0.16155 0.00041 109 8D+2 0.32593 0.16327 0.16265 0.00062 110 8D-2 0.32535 0.16268 0.16267 0.00002 111 6 Cu 1S 2.00470 1.00235 1.00235 0.00000 112 2S 0.63229 0.34845 0.28385 0.06460 113 3S 0.02738 0.03125 -0.00387 0.03511 114 4PX 1.99485 0.99741 0.99744 -0.00002 115 4PY 1.99505 0.99765 0.99740 0.00025 116 4PZ 1.99458 0.99730 0.99728 0.00002 117 5PX 0.15799 0.08264 0.07534 0.00730 118 5PY 0.14835 0.10866 0.03969 0.06897 119 5PZ 0.12441 0.07299 0.05142 0.02157 120 6PX 0.01817 0.01136 0.00681 0.00455 121 6PY 0.01612 0.01302 0.00309 0.00993 122 6PZ 0.01196 0.01268 -0.00072 0.01341 123 7D 0 1.65228 0.82670 0.82559 0.00111 124 7D+1 1.63627 0.81819 0.81808 0.00012 125 7D-1 1.64816 0.82423 0.82393 0.00030 126 7D+2 1.65374 0.82686 0.82689 -0.00003 127 7D-2 1.63933 0.81943 0.81990 -0.00047 128 8D 0 0.31732 0.15909 0.15822 0.00087 129 8D+1 0.32062 0.16077 0.15985 0.00091 130 8D-1 0.31936 0.16030 0.15906 0.00123 131 8D+2 0.31899 0.15998 0.15901 0.00097 132 8D-2 0.32075 0.16094 0.15981 0.00113 133 7 Cu 1S 2.00551 1.00275 1.00276 -0.00001 134 2S 0.70244 0.36597 0.33647 0.02950 135 3S 0.34374 0.17675 0.16699 0.00976 136 4PX 1.99423 0.99713 0.99709 0.00004 137 4PY 1.99479 0.99741 0.99739 0.00002 138 4PZ 1.99481 0.99742 0.99739 0.00002 139 5PX 0.06495 0.03500 0.02994 0.00506 140 5PY 0.06961 0.04237 0.02724 0.01513 141 5PZ 0.07103 0.04440 0.02663 0.01776 142 6PX 0.01964 0.01035 0.00929 0.00105 143 6PY -0.00056 0.00250 -0.00306 0.00556 144 6PZ -0.00116 0.00032 -0.00148 0.00180 145 7D 0 1.63810 0.81937 0.81873 0.00063 146 7D+1 1.65675 0.82790 0.82884 -0.00094 147 7D-1 1.65804 0.83042 0.82761 0.00281 148 7D+2 1.63507 0.81870 0.81637 0.00233 149 7D-2 1.65566 0.82737 0.82829 -0.00091 150 8D 0 0.32503 0.16274 0.16229 0.00045 151 8D+1 0.32357 0.16208 0.16150 0.00058 152 8D-1 0.32414 0.16203 0.16212 -0.00009 153 8D+2 0.32508 0.16251 0.16257 -0.00006 154 8D-2 0.32355 0.16203 0.16152 0.00051 155 8 C 1S 1.99855 0.99929 0.99926 0.00003 156 2S 0.88504 0.45076 0.43427 0.01649 157 3S 0.68943 0.34933 0.34010 0.00924 158 4PX 0.55953 0.28550 0.27403 0.01147 159 4PY 0.88611 0.46043 0.42568 0.03475 160 4PZ 0.62793 0.31656 0.31138 0.00518 161 5PX 0.09993 0.05327 0.04666 0.00661 162 5PY 0.04766 0.02326 0.02440 -0.00114 163 5PZ 0.09625 0.05353 0.04272 0.01082 164 9 O 1S 1.99922 0.99961 0.99961 0.00000 165 2S 0.98930 0.49524 0.49405 0.00119 166 3S 0.83900 0.41887 0.42014 -0.00127 167 4PX 1.09584 0.55047 0.54537 0.00510 168 4PY 1.16644 0.59020 0.57624 0.01396 169 4PZ 1.11194 0.55827 0.55367 0.00460 170 5PX 0.37389 0.18660 0.18729 -0.00070 171 5PY 0.19353 0.09502 0.09851 -0.00348 172 5PZ 0.33967 0.17011 0.16956 0.00055 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.019583 -0.031990 -0.032572 -0.056585 0.061083 0.062436 2 Cu -0.031990 19.070754 -0.021277 -0.131640 0.001971 -0.020613 3 Cu -0.032572 -0.021277 19.071731 -0.131679 0.076514 -0.020796 4 Cu -0.056585 -0.131640 -0.131679 19.249305 -0.086246 -0.122244 5 Cu 0.061083 0.001971 0.076514 -0.086246 19.014497 -0.020286 6 Cu 0.062436 -0.020613 -0.020796 -0.122244 -0.020286 19.092850 7 Cu 0.060924 0.076600 0.001092 -0.085655 0.068702 -0.019746 8 C 0.010548 0.006949 0.006949 0.131641 0.020383 0.004525 9 O -0.000804 -0.000919 -0.001043 0.041983 -0.012809 -0.003463 7 8 9 1 Cu 0.060924 0.010548 -0.000804 2 Cu 0.076600 0.006949 -0.000919 3 Cu 0.001092 0.006949 -0.001043 4 Cu -0.085655 0.131641 0.041983 5 Cu 0.068702 0.020383 -0.012809 6 Cu -0.019746 0.004525 -0.003463 7 Cu 19.013681 0.021537 -0.013118 8 C 0.021537 5.141934 0.545963 9 O -0.013118 0.545963 7.553032 Mulliken atomic charges: 1 1 Cu -0.092625 2 Cu 0.050166 3 Cu 0.051082 4 Cu 0.191120 5 Cu -0.123809 6 Cu 0.047336 7 Cu -0.124017 8 C 0.109570 9 O -0.108823 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.092625 2 Cu 0.050166 3 Cu 0.051082 4 Cu 0.191120 5 Cu -0.123809 6 Cu 0.047336 7 Cu -0.124017 8 C 0.109570 9 O -0.108823 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.085149 -0.025712 -0.025668 0.027615 0.006116 -0.007442 2 Cu -0.025712 0.113108 0.047551 -0.026681 -0.007699 0.056814 3 Cu -0.025668 0.047551 0.115461 -0.026824 0.000762 0.057554 4 Cu 0.027615 -0.026681 -0.026824 0.128684 0.014134 -0.026110 5 Cu 0.006116 -0.007699 0.000762 0.014134 0.084610 -0.013520 6 Cu -0.007442 0.056814 0.057554 -0.026110 -0.013520 0.179799 7 Cu 0.006130 0.000815 -0.008053 0.014386 0.011671 -0.013466 8 C -0.004464 -0.000583 -0.000616 -0.011286 -0.005132 -0.001882 9 O -0.000122 -0.000029 -0.000027 -0.000135 -0.000280 0.000087 7 8 9 1 Cu 0.006130 -0.004464 -0.000122 2 Cu 0.000815 -0.000583 -0.000029 3 Cu -0.008053 -0.000616 -0.000027 4 Cu 0.014386 -0.011286 -0.000135 5 Cu 0.011671 -0.005132 -0.000280 6 Cu -0.013466 -0.001882 0.000087 7 Cu 0.084537 -0.004609 -0.000411 8 C -0.004609 0.149118 -0.027098 9 O -0.000411 -0.027098 0.047965 Mulliken atomic spin densities: 1 1 Cu 0.061601 2 Cu 0.157585 3 Cu 0.160139 4 Cu 0.093784 5 Cu 0.090662 6 Cu 0.231833 7 Cu 0.090999 8 C 0.093449 9 O 0.019949 Sum of Mulliken spin densities= 1.00000 APT atomic charges: 1 1 Cu -0.033125 2 Cu 0.001130 3 Cu -0.000351 4 Cu -0.002434 5 Cu -0.036532 6 Cu -0.037396 7 Cu -0.036950 8 C 1.123429 9 O -0.977771 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.033125 2 Cu 0.001130 3 Cu -0.000351 4 Cu -0.002434 5 Cu -0.036532 6 Cu -0.037396 7 Cu -0.036950 8 C 1.123429 9 O -0.977771 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3208.0037 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2443 Y= 0.1797 Z= 0.2850 Tot= 0.4162 Quadrupole moment (field-independent basis, Debye-Ang): XX= -99.7704 YY= -104.5222 ZZ= -103.0027 XY= 2.7670 XZ= -2.2389 YZ= 5.3022 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.6614 YY= -2.0905 ZZ= -0.5709 XY= 2.7670 XZ= -2.2389 YZ= 5.3022 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -50.9228 YYY= 272.1817 ZZZ= -88.5558 XYY= -20.8960 XXY= 79.1206 XXZ= -25.9018 XZZ= -13.4189 YZZ= 89.3942 YYZ= -46.0156 XYZ= 9.6963 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1068.0600 YYYY= -1849.8923 ZZZZ= -1197.9190 XXXY= 78.2356 XXXZ= -43.5489 YYYX= 95.6397 YYYZ= 237.0754 ZZZX= -33.4600 ZZZY= 174.4538 XXYY= -448.9184 XXZZ= -362.5596 YYZZ= -517.3911 XXYZ= 54.1954 YYXZ= -47.0907 ZZXY= 41.0394 N-N= 1.684397717024D+03 E-N=-6.998126402967D+03 KE= 1.004887060373D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.26144 29.12393 2 O -10.34436 15.96873 3 O -4.34574 2.68627 4 O -4.30099 2.68648 5 O -4.30073 2.68819 6 O -4.29718 2.68748 7 O -4.28773 2.68767 8 O -4.28689 2.68766 9 O -4.28683 2.68767 10 O -2.85744 5.08091 11 O -2.84980 5.08710 12 O -2.84900 5.08614 13 O -2.80985 5.07297 14 O -2.80898 5.08693 15 O -2.80843 5.07800 16 O -2.80782 5.09020 17 O -2.80707 5.08529 18 O -2.80672 5.09014 19 O -2.80548 5.09157 20 O -2.80435 5.08657 21 O -2.80305 5.08664 22 O -2.79710 5.08701 23 O -2.79624 5.08700 24 O -2.79617 5.08703 25 O -2.79400 5.08989 26 O -2.79392 5.08927 27 O -2.79331 5.08913 28 O -2.79325 5.08968 29 O -2.79307 5.08957 30 O -2.79300 5.08985 31 O -1.17758 2.85207 32 O -0.58104 2.50603 33 O -0.48102 2.12828 34 O -0.47456 2.02404 35 O -0.46327 2.32819 36 O -0.35689 2.18264 37 O -0.34059 7.76525 38 O -0.33915 7.87169 39 O -0.32807 8.12531 40 O -0.32789 8.37937 41 O -0.32515 8.33832 42 O -0.31169 8.24242 43 O -0.30878 7.78814 44 O -0.30843 8.40816 45 O -0.30755 8.47578 46 O -0.29654 8.79435 47 O -0.29648 8.79420 48 O -0.29216 8.87858 49 O -0.28837 8.73897 50 O -0.28764 8.44102 51 O -0.28606 8.63574 52 O -0.27998 8.80435 53 O -0.27952 8.82575 54 O -0.27385 9.30685 55 O -0.27209 9.27610 56 O -0.27016 9.13019 57 O -0.26758 9.16912 58 O -0.26706 9.17753 59 O -0.26559 9.07148 60 O -0.26290 9.28266 61 O -0.26285 8.99973 62 O -0.26170 9.35692 63 O -0.26035 9.37489 64 O -0.26027 9.38720 65 O -0.25935 9.45859 66 O -0.25868 9.46604 67 O -0.25798 9.57071 68 O -0.25587 9.37514 69 O -0.25287 9.62124 70 O -0.25258 9.61238 71 O -0.24773 9.74065 72 O -0.20904 2.45584 73 O -0.20680 2.47248 74 O -0.14621 1.66464 75 V -0.08591 1.51198 76 V -0.08219 1.83537 77 V -0.07620 1.36083 78 V -0.07321 0.90089 79 V -0.07302 0.83834 80 V -0.02912 0.70557 81 V -0.02591 0.75629 82 V -0.00715 0.66639 83 V -0.00308 0.75673 84 V 0.00177 0.48999 85 V 0.01656 0.55501 86 V 0.02029 0.46432 87 V 0.02788 0.47043 88 V 0.03171 0.40131 89 V 0.03445 0.37122 90 V 0.03526 0.36680 91 V 0.04263 0.32896 92 V 0.04283 0.33315 93 V 0.04893 0.34810 94 V 0.04935 0.33338 95 V 0.05240 0.36078 96 V 0.05956 0.39142 97 V 0.06165 0.44938 98 V 0.07051 0.42095 99 V 0.07165 0.41708 100 V 0.08310 0.26922 101 V 0.08385 0.26913 102 V 0.08499 0.24774 103 V 0.08830 0.44432 104 V 0.09722 0.90947 105 V 0.09830 0.23693 106 V 0.10385 0.47792 107 V 0.10389 0.33826 108 V 0.11790 0.60949 109 V 0.12138 0.64593 110 V 0.18913 1.24147 111 V 0.19106 1.14898 112 V 0.19731 1.26771 113 V 0.21666 0.96995 114 V 0.23456 1.33214 115 V 0.24325 1.25262 116 V 0.24917 1.39324 117 V 0.26816 1.43784 118 V 0.27435 1.21843 119 V 0.27842 1.17499 120 V 0.30483 1.48291 121 V 0.30910 1.47600 122 V 0.34010 1.51865 123 V 0.39552 1.41565 124 V 0.41169 1.46565 125 V 0.54056 2.82775 126 V 0.63618 4.36087 127 V 0.64634 3.78702 128 V 0.65634 4.17341 129 V 0.67092 4.08491 130 V 0.67413 3.85515 131 V 0.67801 4.26552 132 V 0.69036 3.76763 133 V 0.69758 3.69354 134 V 0.71036 3.70364 135 V 0.73494 3.39482 136 V 0.77152 3.62405 137 V 0.78569 4.61749 138 V 0.81850 3.73352 139 V 0.82689 4.21180 140 V 0.84398 4.07655 141 V 0.86006 4.32678 142 V 0.86883 4.22159 143 V 0.86931 4.42723 144 V 0.89685 3.88336 145 V 0.90171 4.48234 146 V 0.91963 4.42966 147 V 0.93900 4.05800 148 V 0.98533 3.70554 149 V 1.02893 4.49549 150 V 1.03138 4.44998 151 V 1.04779 4.46790 152 V 1.06471 4.47220 153 V 1.08250 4.49766 154 V 1.16666 4.23342 155 V 1.17915 4.25273 156 V 1.21769 4.62746 157 V 1.24945 4.67180 158 V 1.28574 4.67287 159 V 1.29067 4.62984 160 V 1.29414 4.61503 161 V 1.31328 4.63250 162 V 1.31650 4.64812 163 V 1.32008 4.65831 164 V 1.35358 4.78038 165 V 1.55654 2.69344 166 V 1.68197 3.20162 167 V 1.80325 2.01732 168 V 1.84191 2.05106 169 V 2.21381 1.35712 170 V 2.24513 1.69955 171 V 2.36400 1.69115 172 V 10.22224 2.93476 Orbital energies and kinetic energies (beta): 1 2 1 O -19.26051 29.12465 2 O -10.34243 15.96962 3 O -4.34319 2.68614 4 O -4.30046 2.68652 5 O -4.30019 2.68819 6 O -4.29657 2.68751 7 O -4.28738 2.68768 8 O -4.28641 2.68766 9 O -4.28634 2.68767 10 O -2.85439 5.08125 11 O -2.84769 5.08692 12 O -2.84641 5.08590 13 O -2.80899 5.07376 14 O -2.80861 5.07999 15 O -2.80837 5.08258 16 O -2.80786 5.09283 17 O -2.80618 5.08348 18 O -2.80572 5.09100 19 O -2.80450 5.08795 20 O -2.80441 5.09009 21 O -2.80228 5.08830 22 O -2.79675 5.08716 23 O -2.79564 5.08712 24 O -2.79556 5.08720 25 O -2.79379 5.08996 26 O -2.79355 5.08930 27 O -2.79301 5.09003 28 O -2.79295 5.09002 29 O -2.79256 5.08909 30 O -2.79250 5.08904 31 O -1.17546 2.84983 32 O -0.57753 2.51085 33 O -0.47694 2.13654 34 O -0.47334 2.02691 35 O -0.45598 2.27538 36 O -0.35223 2.45632 37 O -0.33911 7.75912 38 O -0.33818 7.90103 39 O -0.32603 8.79222 40 O -0.32451 8.59571 41 O -0.32174 7.41271 42 O -0.31035 8.11518 43 O -0.30747 8.45085 44 O -0.30673 8.51339 45 O -0.30483 7.95819 46 O -0.29595 8.83271 47 O -0.29588 8.82337 48 O -0.29201 8.88328 49 O -0.28748 8.75203 50 O -0.28532 8.67440 51 O -0.28470 8.44335 52 O -0.27919 8.83294 53 O -0.27850 8.84979 54 O -0.27206 9.31438 55 O -0.27045 9.27601 56 O -0.26980 9.13874 57 O -0.26618 9.18701 58 O -0.26592 9.18918 59 O -0.26482 9.08904 60 O -0.26233 9.41548 61 O -0.26122 9.37996 62 O -0.26075 8.93329 63 O -0.25958 9.31364 64 O -0.25927 9.38704 65 O -0.25780 9.60065 66 O -0.25748 9.50663 67 O -0.25739 9.44802 68 O -0.25299 9.35107 69 O -0.25190 9.64360 70 O -0.25144 9.63390 71 O -0.24747 9.75304 72 O -0.20592 2.34541 73 O -0.20379 2.38227 74 V -0.10064 1.51940 75 V -0.08062 1.20281 76 V -0.07836 1.91281 77 V -0.07121 0.82850 78 V -0.07077 1.56624 79 V -0.06980 0.83587 80 V -0.02308 0.63853 81 V -0.02044 0.64626 82 V -0.00488 0.70365 83 V -0.00162 0.77505 84 V 0.00684 0.46899 85 V 0.01841 0.53952 86 V 0.02090 0.45870 87 V 0.02929 0.49163 88 V 0.03345 0.39348 89 V 0.03691 0.34471 90 V 0.03728 0.34505 91 V 0.04304 0.33240 92 V 0.04334 0.34060 93 V 0.05038 0.34312 94 V 0.05092 0.32824 95 V 0.05359 0.35995 96 V 0.06109 0.40909 97 V 0.06305 0.46023 98 V 0.07152 0.44709 99 V 0.07259 0.44091 100 V 0.08305 0.26627 101 V 0.08391 0.26111 102 V 0.08502 0.23995 103 V 0.09116 0.48654 104 V 0.09844 0.23434 105 V 0.10090 0.77832 106 V 0.10445 0.50868 107 V 0.10448 0.46602 108 V 0.12180 0.61807 109 V 0.12495 0.65300 110 V 0.19280 1.28382 111 V 0.19589 1.13529 112 V 0.20055 1.21878 113 V 0.21796 0.96104 114 V 0.23679 1.33269 115 V 0.24607 1.24209 116 V 0.25209 1.39803 117 V 0.27012 1.43286 118 V 0.27728 1.20676 119 V 0.28080 1.16774 120 V 0.30761 1.47786 121 V 0.31058 1.46800 122 V 0.34298 1.52259 123 V 0.39658 1.41649 124 V 0.41449 1.47026 125 V 0.54321 2.80928 126 V 0.64030 4.34632 127 V 0.64887 3.77301 128 V 0.65923 4.20466 129 V 0.67240 4.06632 130 V 0.67679 3.82306 131 V 0.68035 4.25411 132 V 0.69179 3.79125 133 V 0.69964 3.69258 134 V 0.71248 3.70031 135 V 0.73714 3.39194 136 V 0.77297 3.61181 137 V 0.78738 4.61111 138 V 0.82135 3.73259 139 V 0.82937 4.23031 140 V 0.84686 4.08990 141 V 0.86178 4.31994 142 V 0.87068 4.19861 143 V 0.87193 4.42498 144 V 0.90054 3.89712 145 V 0.90564 4.47256 146 V 0.92289 4.42145 147 V 0.94120 4.05969 148 V 0.98713 3.69485 149 V 1.03135 4.49671 150 V 1.03479 4.44405 151 V 1.05102 4.45686 152 V 1.06751 4.46577 153 V 1.08582 4.49531 154 V 1.16856 4.22926 155 V 1.18115 4.24814 156 V 1.22092 4.62431 157 V 1.25200 4.67005 158 V 1.28837 4.66990 159 V 1.29298 4.62915 160 V 1.29614 4.61240 161 V 1.31517 4.62705 162 V 1.31892 4.64784 163 V 1.32176 4.65799 164 V 1.35699 4.78253 165 V 1.55813 2.69954 166 V 1.68386 3.20319 167 V 1.80449 2.01770 168 V 1.84356 2.05045 169 V 2.21539 1.35711 170 V 2.24845 1.69443 171 V 2.36560 1.69237 172 V 10.22375 2.93470 Total kinetic energy from orbitals= 1.004887060373D+03 Exact polarizability: 272.253 2.520 283.551 -1.935 1.145 270.697 Approx polarizability: 600.325 7.252 623.793 -8.737 5.491 593.030 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00311 0.00111 0.00104 2 Cu(63) 0.00000 0.00269 0.00096 0.00090 3 Cu(63) 0.00000 0.00275 0.00098 0.00092 4 Cu(63) 0.00000 0.00068 0.00024 0.00023 5 Cu(63) 0.00000 0.00212 0.00076 0.00071 6 Cu(63) 0.00000 0.00408 0.00146 0.00136 7 Cu(63) 0.00000 0.00212 0.00076 0.00071 8 C(13) 0.09721 109.27780 38.99303 36.45115 9 O(17) 0.01351 -8.19123 -2.92283 -2.73230 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.009282 0.025578 -0.016297 2 Atom 0.118955 -0.059731 -0.059224 3 Atom -0.055239 -0.044420 0.099659 4 Atom -0.006336 -0.015264 0.021600 5 Atom -0.022685 -0.023622 0.046307 6 Atom -0.051894 0.102513 -0.050619 7 Atom 0.055045 -0.026988 -0.028056 8 Atom -0.021835 0.061278 -0.039443 9 Atom -0.030352 0.066025 -0.035674 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.010681 -0.005103 0.008067 2 Atom 0.008774 0.008722 -0.020042 3 Atom -0.029169 -0.042849 0.034180 4 Atom -0.006858 0.037072 -0.014629 5 Atom -0.008537 -0.022508 0.007698 6 Atom 0.054522 0.024752 0.039864 7 Atom -0.005503 0.003182 -0.006907 8 Atom 0.058980 0.011887 0.053503 9 Atom 0.095757 0.058894 0.088803 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0222 -3.142 -1.121 -1.048 0.5306 -0.2551 0.8083 1 Cu(63) Bbb -0.0073 -1.035 -0.369 -0.345 0.8113 -0.1233 -0.5714 Bcc 0.0295 4.177 1.491 1.393 0.2455 0.9590 0.1416 Baa -0.0803 -11.367 -4.056 -3.792 -0.0620 0.7102 0.7013 2 Cu(63) Bbb -0.0394 -5.583 -1.992 -1.862 -0.0003 -0.7027 0.7115 Bcc 0.1197 16.951 6.048 5.654 0.9981 0.0439 0.0437 Baa -0.0804 -11.387 -4.063 -3.798 0.8115 0.5783 0.0833 3 Cu(63) Bbb -0.0403 -5.706 -2.036 -1.903 -0.5197 0.7796 -0.3495 Bcc 0.1207 17.092 6.099 5.701 -0.2671 0.2403 0.9332 Baa -0.0325 -4.601 -1.642 -1.535 0.7859 -0.1875 -0.5893 4 Cu(63) Bbb -0.0186 -2.631 -0.939 -0.878 0.2885 0.9540 0.0812 Bcc 0.0511 7.232 2.581 2.412 0.5470 -0.2338 0.8039 Baa -0.0335 -4.740 -1.691 -1.581 0.8075 0.5639 0.1734 5 Cu(63) Bbb -0.0208 -2.940 -1.049 -0.981 -0.5129 0.8162 -0.2658 Bcc 0.0542 7.680 2.740 2.562 -0.2914 0.1257 0.9483 Baa -0.0774 -10.955 -3.909 -3.654 0.8108 -0.1187 -0.5732 6 Cu(63) Bbb -0.0539 -7.627 -2.721 -2.544 0.4985 -0.3732 0.7824 Bcc 0.1312 18.582 6.630 6.198 0.3068 0.9201 0.2434 Baa -0.0345 -4.881 -1.742 -1.628 0.0162 0.6845 0.7288 7 Cu(63) Bbb -0.0211 -2.987 -1.066 -0.996 0.0810 0.7256 -0.6833 Bcc 0.0556 7.868 2.807 2.624 0.9966 -0.0701 0.0437 Baa -0.0689 -9.248 -3.300 -3.085 0.4473 -0.5058 0.7376 8 C(13) Bbb -0.0418 -5.608 -2.001 -1.871 0.7959 -0.1511 -0.5863 Bcc 0.1107 14.856 5.301 4.955 0.4080 0.8493 0.3349 Baa -0.0922 6.675 2.382 2.226 0.7863 -0.1378 -0.6023 9 O(17) Bbb -0.0859 6.213 2.217 2.072 0.3956 -0.6365 0.6621 Bcc 0.1781 -12.887 -4.599 -4.299 0.4746 0.7589 0.4460 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sun Apr 13 00:00:08 2008, MaxMem= 1258291200 cpu: 4.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l701.exe) Compute integral second derivatives. ... and contract with generalized density number 0. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2212 LenP2D= 12178. LDataN: DoStor=F MaxTD1= 6 Len= 172 LDataN: DoStor=T MaxTD1= 6 Len= 172 Leave Link 701 at Sun Apr 13 00:00:21 2008, MaxMem= 1258291200 cpu: 47.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l702.exe) L702 exits ... SP integral derivatives will be done elsewhere. Leave Link 702 at Sun Apr 13 00:00:21 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l703.exe) Compute integral second derivatives, UseDBF=F. Integral derivatives from FoFDir, PRISM(SPDF). Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Leave Link 703 at Sun Apr 13 00:03:20 2008, MaxMem= 1258291200 cpu: 597.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole = 9.61014272D-02 7.06921964D-02 1.12135140D-01 Polarizability= 2.72252633D+02 2.52013901D+00 2.83551057D+02 -1.93544625D+00 1.14479120D+00 2.70696811D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000044876 -0.000010668 -0.000093450 2 29 -0.000013818 0.000031977 0.000056090 3 29 0.000091944 0.000024671 0.000019978 4 29 -0.000074764 -0.000165537 0.000005597 5 29 0.000012903 -0.000010220 -0.000029151 6 29 0.000005288 0.000089197 -0.000032827 7 29 -0.000053779 -0.000015308 0.000010358 8 6 0.000067752 0.000226127 0.000043861 9 8 0.000009350 -0.000170239 0.000019545 ------------------------------------------------------------------- Cartesian Forces: Max 0.000226127 RMS 0.000076550 Force constants in Cartesian coordinates: 1 2 3 4 5 1 0.275848D-01 2 0.113210D-01 0.201509D-01 3 0.156634D-01 0.148092D-01 0.334752D-01 4 0.250292D-03 -0.509044D-03 -0.176482D-02 0.327858D-01 5 -0.989250D-03 -0.221661D-02 -0.792714D-02 0.118642D-01 0.443065D-01 6 -0.576513D-02 -0.939069D-02 -0.268238D-01 -0.922200D-02 0.798570D-02 7 -0.242625D-01 -0.630889D-02 -0.128202D-01 -0.141973D-01 0.172324D-02 8 -0.425272D-02 -0.268379D-03 -0.135745D-02 0.375970D-02 0.133147D-02 9 -0.916480D-02 -0.221743D-02 -0.416577D-02 0.115207D-01 -0.623399D-03 10 -0.206287D-02 -0.264187D-02 -0.940256D-03 0.809942D-03 -0.123864D-02 11 -0.580344D-02 -0.122503D-01 -0.603504D-02 -0.311007D-02 -0.670323D-02 12 -0.250082D-03 -0.146578D-02 -0.102723D-02 0.394741D-02 0.107395D-01 13 0.785589D-03 -0.583039D-03 -0.704155D-03 0.614638D-03 0.569581D-02 14 0.580473D-03 -0.601856D-03 0.630446D-04 0.165328D-02 -0.276917D-01 15 0.862361D-03 -0.429345D-03 -0.716488D-03 0.193984D-03 -0.732008D-02 16 -0.244046D-02 -0.168359D-03 -0.592617D-03 -0.165846D-01 -0.165517D-01 17 -0.339195D-03 -0.102453D-02 -0.695260D-03 -0.134093D-01 -0.668526D-02 18 -0.548229D-03 -0.457845D-03 -0.267275D-02 -0.421308D-02 -0.398804D-02 19 -0.665677D-03 -0.129227D-03 0.518777D-03 -0.220957D-02 -0.258689D-03 20 -0.284478D-03 -0.494579D-03 0.640977D-03 -0.655320D-03 -0.206000D-02 21 -0.126574D-02 -0.263517D-03 0.644329D-03 0.882955D-03 0.164614D-03 22 0.127060D-02 -0.173125D-02 0.122700D-02 -0.237033D-02 -0.366081D-03 23 0.351901D-05 -0.518912D-02 0.129464D-02 -0.309903D-02 0.175765D-02 24 0.803636D-03 -0.124127D-02 0.206467D-02 -0.808104D-03 0.420550D-03 25 -0.459825D-03 0.750712D-03 -0.587137D-03 0.901162D-03 0.121109D-03 26 -0.235889D-03 0.189445D-02 -0.793011D-03 0.350560D-02 -0.203876D-02 27 -0.335433D-03 0.656653D-03 -0.778108D-03 -0.537075D-03 0.548275D-03 6 7 8 9 10 6 0.417193D-01 7 0.147191D-01 0.477653D-01 8 -0.259345D-02 0.291499D-02 0.468448D-01 9 -0.482642D-02 -0.236526D-02 0.115490D-01 0.240787D-01 10 0.202297D-02 -0.473116D-02 0.991174D-02 -0.774092D-03 0.385925D-01 11 0.108764D-01 0.104806D-01 -0.102391D-01 0.216479D-02 -0.194941D-01 12 -0.827651D-02 -0.238960D-02 0.422408D-02 0.935094D-03 0.118347D-01 13 0.539096D-03 -0.234874D-02 0.386987D-03 0.608280D-03 -0.248034D-02 14 -0.589048D-02 0.704739D-03 -0.236947D-02 -0.552681D-03 0.136482D-02 15 -0.535647D-03 -0.285812D-03 -0.115403D-03 -0.181507D-02 0.362085D-02 16 -0.213500D-02 0.215254D-02 -0.280642D-03 -0.585736D-03 -0.242773D-02 17 -0.185235D-02 0.835403D-03 -0.118963D-01 -0.142748D-01 -0.402063D-03 18 0.156807D-02 0.515379D-03 -0.181931D-01 -0.121019D-01 -0.602601D-02 19 -0.301649D-04 -0.442971D-02 -0.132487D-01 0.172523D-02 -0.186245D-01 20 0.483023D-03 -0.105319D-01 -0.229933D-01 0.347090D-02 -0.369944D-02 21 -0.228147D-02 0.238200D-02 0.662087D-02 -0.191954D-03 0.231444D-02 22 -0.860662D-03 0.381910D-03 0.765135D-03 -0.940254D-03 -0.102812D-01 23 -0.236850D-03 0.110444D-02 0.914714D-03 -0.337984D-02 0.177316D-01 24 -0.251741D-03 -0.399517D-03 -0.626934D-03 -0.209805D-02 -0.112711D-01 25 0.731839D-03 -0.330382D-03 0.434739D-04 -0.241029D-04 0.120538D-02 26 0.618687D-03 -0.922636D-03 -0.132433D-02 0.386347D-02 -0.153205D-02 27 -0.291763D-03 0.643970D-03 0.492410D-03 0.185327D-03 -0.781456D-03 11 12 13 14 15 11 0.779463D-01 12 -0.382910D-01 0.589253D-01 13 0.697115D-03 0.676417D-02 0.259237D-01 14 -0.120594D-02 -0.750727D-02 -0.164319D-01 0.353939D-01 15 -0.393434D-02 -0.148237D-01 -0.880385D-02 0.136729D-01 0.200043D-01 16 0.159687D-02 -0.648822D-02 -0.227092D-01 0.129566D-01 0.282738D-02 17 -0.407696D-03 -0.814504D-04 0.923492D-02 -0.436886D-02 -0.832789D-03 18 0.275851D-02 -0.726359D-02 0.896934D-03 0.151513D-03 0.963305D-03 19 -0.686978D-03 -0.131440D-02 -0.420282D-03 -0.399717D-03 0.366159D-03 20 0.185750D-03 -0.102097D-02 0.974732D-03 0.590663D-03 -0.345454D-03 21 -0.110832D-02 -0.259879D-03 0.228492D-04 0.652454D-03 -0.347977D-03 22 0.109703D-01 -0.956212D-02 0.850658D-03 -0.764203D-03 0.273905D-02 23 -0.384708D-01 0.327020D-01 0.175652D-02 -0.906043D-03 -0.288027D-02 24 0.235377D-01 -0.266214D-01 0.832110D-03 -0.116056D-02 -0.363157D-02 25 0.534964D-02 -0.254182D-02 -0.215963D-03 0.335933D-03 -0.152013D-02 26 -0.885507D-02 0.700936D-03 -0.173116D-02 0.115929D-02 0.218481D-02 27 0.100313D-01 -0.158800D-02 -0.155438D-03 0.571116D-03 0.902851D-03 16 17 18 19 20 16 0.458685D-01 17 0.508201D-02 0.261491D-01 18 -0.233835D-02 0.116743D-01 0.407177D-01 19 -0.431568D-02 -0.212961D-02 0.124530D-01 0.337082D-01 20 -0.278555D-02 -0.850200D-03 0.746898D-02 0.168685D-01 0.253293D-01 21 0.983314D-02 0.413515D-02 -0.208842D-01 -0.135997D-01 -0.102080D-01 22 0.109376D-02 0.163237D-02 -0.144024D-02 -0.493732D-02 -0.322086D-03 23 0.163430D-02 0.168949D-02 0.225466D-02 -0.247445D-02 -0.188207D-03 24 -0.148782D-02 0.214852D-02 -0.604495D-03 0.125386D-02 -0.100093D-02 25 -0.637032D-03 -0.504517D-03 0.700578D-03 0.189451D-02 0.435497D-03 26 -0.148348D-02 -0.260577D-02 -0.166898D-02 0.245882D-02 0.480643D-03 27 0.967213D-03 -0.221327D-03 0.277826D-03 -0.137275D-02 0.511472D-03 21 22 23 24 25 21 0.223664D-01 22 -0.598203D-03 0.383291D-01 23 0.115318D-02 -0.127548D+00 0.814566D+00 24 0.148670D-02 0.635021D-01 -0.378393D+00 0.198720D+00 25 0.282848D-04 -0.243371D-01 0.110891D+00 -0.524251D-01 0.219793D-01 26 -0.114643D-02 0.117364D+00 -0.774173D+00 0.356316D+00 -0.117423D+00 27 -0.532002D-03 -0.540667D-01 0.347485D+00 -0.169064D+00 0.556376D-01 26 27 26 0.785463D+00 27 -0.360075D+00 0.170888D+00 Leave Link 716 at Sun Apr 13 00:03:23 2008, MaxMem= 1258291200 cpu: 0.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 D2Numr ... symmetry will not be used. Leave Link 106 at Sun Apr 13 00:03:23 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0019 0.0000 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1684.3977170244 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sun Apr 13 00:03:24 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 554 NPtTot= 95048 NUsed= 98963 NTot= 98995 NSgBfM= 186 186 186 186. Leave Link 302 at Sun Apr 13 00:03:26 2008, MaxMem= 1258291200 cpu: 7.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 1684.4755190747 hartrees. Leave Link 303 at Sun Apr 13 00:03:26 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. of initial guess= 0.7549 Leave Link 401 at Sun Apr 13 00:03:26 2008, MaxMem= 1258291200 cpu: 0.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 98962 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306792921. IEnd= 239127 IEndB= 239127 NGot=1258291200 MDV= 955639210 LenX= 955639210 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1486.53433039040 DIIS: error= 1.02D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1486.53433039040 IErMin= 1 ErrMin= 1.02D-03 ErrMax= 1.02D-03 EMaxC= 1.00D-01 BMatC= 3.48D-04 BMatP= 3.48D-04 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.02D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 GapD= 0.059 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.52D-04 MaxDP=9.78D-03 OVMax= 4.85D-02 Cycle 2 Pass 1 IDiag 1: E= -1486.53442830192 Delta-E= -0.000097911519 Rises=F Damp=T DIIS: error= 3.62D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1486.53442830192 IErMin= 2 ErrMin= 3.62D-04 ErrMax= 3.62D-04 EMaxC= 1.00D-01 BMatC= 2.65D-04 BMatP= 3.48D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.62D-03 Coeff-Com: 0.453D+00 0.547D+00 Coeff-En: 0.388D+00 0.612D+00 Coeff: 0.452D+00 0.548D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.13D-04 MaxDP=3.41D-03 DE=-9.79D-05 OVMax= 1.87D-02 Cycle 3 Pass 1 IDiag 1: E= -1486.53475073603 Delta-E= -0.000322434109 Rises=F Damp=F DIIS: error= 3.47D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1486.53475073603 IErMin= 3 ErrMin= 3.47D-04 ErrMax= 3.47D-04 EMaxC= 1.00D-01 BMatC= 2.16D-04 BMatP= 2.65D-04 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.47D-03 Coeff-Com: 0.284D+00 0.347D+00 0.369D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.283D+00 0.346D+00 0.371D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.13D-05 MaxDP=1.06D-03 DE=-3.22D-04 OVMax= 3.73D-03 Cycle 4 Pass 1 IDiag 1: E= -1486.53481179402 Delta-E= -0.000061057990 Rises=F Damp=F DIIS: error= 6.17D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1486.53481179402 IErMin= 4 ErrMin= 6.17D-05 ErrMax= 6.17D-05 EMaxC= 1.00D-01 BMatC= 4.78D-06 BMatP= 2.16D-04 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.838D-01 0.282D-01 0.734D-01 0.815D+00 Coeff: 0.838D-01 0.282D-01 0.734D-01 0.815D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.02D-05 MaxDP=5.17D-04 DE=-6.11D-05 OVMax= 1.76D-03 Cycle 5 Pass 1 IDiag 1: E= -1486.53481401028 Delta-E= -0.000002216257 Rises=F Damp=F DIIS: error= 5.02D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1486.53481401028 IErMin= 5 ErrMin= 5.02D-05 ErrMax= 5.02D-05 EMaxC= 1.00D-01 BMatC= 5.02D-06 BMatP= 4.78D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.299D-01-0.176D-01-0.810D-02 0.548D+00 0.448D+00 Coeff: 0.299D-01-0.176D-01-0.810D-02 0.548D+00 0.448D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.26D-05 MaxDP=2.31D-04 DE=-2.22D-06 OVMax= 1.08D-03 Cycle 6 Pass 1 IDiag 1: E= -1486.53481503321 Delta-E= -0.000001022933 Rises=F Damp=F DIIS: error= 2.81D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1486.53481503321 IErMin= 6 ErrMin= 2.81D-05 ErrMax= 2.81D-05 EMaxC= 1.00D-01 BMatC= 1.22D-06 BMatP= 4.78D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.871D-03-0.201D-01-0.346D-01 0.153D+00 0.357D+00 0.544D+00 Coeff: 0.871D-03-0.201D-01-0.346D-01 0.153D+00 0.357D+00 0.544D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=7.10D-06 MaxDP=9.55D-05 DE=-1.02D-06 OVMax= 8.56D-04 Cycle 7 Pass 1 IDiag 1: E= -1486.53481536527 Delta-E= -0.000000332060 Rises=F Damp=F DIIS: error= 1.97D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1486.53481536527 IErMin= 7 ErrMin= 1.97D-05 ErrMax= 1.97D-05 EMaxC= 1.00D-01 BMatC= 3.24D-07 BMatP= 1.22D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.117D-02-0.119D-01-0.230D-01 0.380D-01 0.205D+00 0.428D+00 Coeff-Com: 0.366D+00 Coeff: -0.117D-02-0.119D-01-0.230D-01 0.380D-01 0.205D+00 0.428D+00 Coeff: 0.366D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.10D-06 MaxDP=5.60D-05 DE=-3.32D-07 OVMax= 4.09D-04 Cycle 8 Pass 1 IDiag 1: E= -1486.53481547567 Delta-E= -0.000000110399 Rises=F Damp=F DIIS: error= 5.16D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1486.53481547567 IErMin= 8 ErrMin= 5.16D-06 ErrMax= 5.16D-06 EMaxC= 1.00D-01 BMatC= 5.58D-08 BMatP= 3.24D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.800D-03-0.511D-02-0.734D-02-0.144D-01 0.405D-01 0.171D+00 Coeff-Com: 0.263D+00 0.553D+00 Coeff: -0.800D-03-0.511D-02-0.734D-02-0.144D-01 0.405D-01 0.171D+00 Coeff: 0.263D+00 0.553D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.46D-06 MaxDP=4.39D-05 DE=-1.10D-07 OVMax= 3.99D-04 Cycle 9 Pass 1 IDiag 1: E= -1486.53481551373 Delta-E= -0.000000038057 Rises=F Damp=F DIIS: error= 3.88D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1486.53481551373 IErMin= 9 ErrMin= 3.88D-06 ErrMax= 3.88D-06 EMaxC= 1.00D-01 BMatC= 2.47D-08 BMatP= 5.58D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.257D-03 0.153D-02 0.672D-02-0.401D-01-0.894D-01-0.885D-01 Coeff-Com: 0.378D-01 0.489D+00 0.683D+00 Coeff: 0.257D-03 0.153D-02 0.672D-02-0.401D-01-0.894D-01-0.885D-01 Coeff: 0.378D-01 0.489D+00 0.683D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.67D-06 MaxDP=4.48D-05 DE=-3.81D-08 OVMax= 4.79D-04 Cycle 10 Pass 1 IDiag 1: E= -1486.53481554060 Delta-E= -0.000000026871 Rises=F Damp=F DIIS: error= 1.89D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1486.53481554060 IErMin=10 ErrMin= 1.89D-06 ErrMax= 1.89D-06 EMaxC= 1.00D-01 BMatC= 3.73D-09 BMatP= 2.47D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.431D-03 0.142D-02 0.480D-02-0.152D-01-0.528D-01-0.883D-01 Coeff-Com: -0.115D-01 0.124D+00 0.357D+00 0.680D+00 Coeff: 0.431D-03 0.142D-02 0.480D-02-0.152D-01-0.528D-01-0.883D-01 Coeff: -0.115D-01 0.124D+00 0.357D+00 0.680D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.01D-06 MaxDP=1.62D-05 DE=-2.69D-08 OVMax= 1.77D-04 Cycle 11 Pass 1 IDiag 1: E= -1486.53481554457 Delta-E= -0.000000003974 Rises=F Damp=F DIIS: error= 1.06D-06 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1486.53481554457 IErMin=11 ErrMin= 1.06D-06 ErrMax= 1.06D-06 EMaxC= 1.00D-01 BMatC= 1.00D-09 BMatP= 3.73D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.231D-03 0.526D-03 0.131D-02-0.192D-03-0.115D-01-0.343D-01 Coeff-Com: -0.113D-01-0.337D-01 0.540D-01 0.436D+00 0.599D+00 Coeff: 0.231D-03 0.526D-03 0.131D-02-0.192D-03-0.115D-01-0.343D-01 Coeff: -0.113D-01-0.337D-01 0.540D-01 0.436D+00 0.599D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.41D-07 MaxDP=7.47D-06 DE=-3.97D-09 OVMax= 7.28D-05 Cycle 12 Pass 1 IDiag 1: E= -1486.53481554529 Delta-E= -0.000000000715 Rises=F Damp=F DIIS: error= 7.04D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1486.53481554529 IErMin=12 ErrMin= 7.04D-07 ErrMax= 7.04D-07 EMaxC= 1.00D-01 BMatC= 4.49D-10 BMatP= 1.00D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.457D-04-0.180D-03-0.740D-03 0.586D-02 0.980D-02 0.688D-02 Coeff-Com: -0.665D-02-0.604D-01-0.864D-01 0.548D-01 0.480D+00 0.597D+00 Coeff: 0.457D-04-0.180D-03-0.740D-03 0.586D-02 0.980D-02 0.688D-02 Coeff: -0.665D-02-0.604D-01-0.864D-01 0.548D-01 0.480D+00 0.597D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.68D-07 MaxDP=5.49D-06 DE=-7.15D-10 OVMax= 4.28D-05 Cycle 13 Pass 1 IDiag 1: E= -1486.53481554559 Delta-E= -0.000000000305 Rises=F Damp=F DIIS: error= 2.78D-07 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1486.53481554559 IErMin=13 ErrMin= 2.78D-07 ErrMax= 2.78D-07 EMaxC= 1.00D-01 BMatC= 6.00D-11 BMatP= 4.49D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.494D-05-0.215D-03-0.545D-03 0.291D-02 0.663D-02 0.103D-01 Coeff-Com: -0.227D-02-0.257D-01-0.484D-01-0.567D-01 0.123D+00 0.298D+00 Coeff-Com: 0.693D+00 Coeff: -0.494D-05-0.215D-03-0.545D-03 0.291D-02 0.663D-02 0.103D-01 Coeff: -0.227D-02-0.257D-01-0.484D-01-0.567D-01 0.123D+00 0.298D+00 Coeff: 0.693D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.35D-07 MaxDP=2.49D-06 DE=-3.05D-10 OVMax= 2.03D-05 Cycle 14 Pass 1 IDiag 1: E= -1486.53481554566 Delta-E= -0.000000000067 Rises=F Damp=F DIIS: error= 2.44D-07 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1486.53481554566 IErMin=14 ErrMin= 2.44D-07 ErrMax= 2.44D-07 EMaxC= 1.00D-01 BMatC= 6.60D-11 BMatP= 6.00D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.342D-04-0.159D-03-0.260D-03 0.445D-03 0.269D-02 0.743D-02 Coeff-Com: -0.674D-03 0.673D-03-0.102D-01-0.863D-01-0.785D-01 0.567D-01 Coeff-Com: 0.636D+00 0.472D+00 Coeff: -0.342D-04-0.159D-03-0.260D-03 0.445D-03 0.269D-02 0.743D-02 Coeff: -0.674D-03 0.673D-03-0.102D-01-0.863D-01-0.785D-01 0.567D-01 Coeff: 0.636D+00 0.472D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.59D-08 MaxDP=2.02D-06 DE=-6.73D-11 OVMax= 1.33D-05 Cycle 15 Pass 1 IDiag 1: E= -1486.53481554569 Delta-E= -0.000000000033 Rises=F Damp=F DIIS: error= 5.85D-08 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1486.53481554569 IErMin=15 ErrMin= 5.85D-08 ErrMax= 5.85D-08 EMaxC= 1.00D-01 BMatC= 4.92D-12 BMatP= 6.00D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.365D-05-0.436D-06 0.795D-04-0.721D-03-0.872D-03-0.576D-03 Coeff-Com: 0.882D-03 0.109D-01 0.947D-02-0.136D-01-0.787D-01-0.738D-01 Coeff-Com: 0.575D-01 0.189D+00 0.900D+00 Coeff: -0.365D-05-0.436D-06 0.795D-04-0.721D-03-0.872D-03-0.576D-03 Coeff: 0.882D-03 0.109D-01 0.947D-02-0.136D-01-0.787D-01-0.738D-01 Coeff: 0.575D-01 0.189D+00 0.900D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.47D-08 MaxDP=9.63D-07 DE=-3.32D-11 OVMax= 7.60D-06 Cycle 16 Pass 1 IDiag 1: E= -1486.53481554570 Delta-E= -0.000000000002 Rises=F Damp=F DIIS: error= 3.10D-08 at cycle 16 NSaved= 16. NSaved=16 IEnMin=16 EnMin= -1486.53481554570 IErMin=16 ErrMin= 3.10D-08 ErrMax= 3.10D-08 EMaxC= 1.00D-01 BMatC= 1.01D-12 BMatP= 4.92D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.303D-05 0.129D-04 0.620D-04-0.350D-03-0.640D-03-0.117D-02 Coeff-Com: 0.654D-03 0.447D-02 0.513D-02 0.236D-02-0.263D-01-0.412D-01 Coeff-Com: -0.355D-01 0.236D-01 0.453D+00 0.616D+00 Coeff: 0.303D-05 0.129D-04 0.620D-04-0.350D-03-0.640D-03-0.117D-02 Coeff: 0.654D-03 0.447D-02 0.513D-02 0.236D-02-0.263D-01-0.412D-01 Coeff: -0.355D-01 0.236D-01 0.453D+00 0.616D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.20D-08 MaxDP=2.33D-07 DE=-2.27D-12 OVMax= 1.72D-06 Cycle 17 Pass 1 IDiag 1: E= -1486.53481554570 Delta-E= -0.000000000002 Rises=F Damp=F DIIS: error= 2.46D-08 at cycle 17 NSaved= 17. NSaved=17 IEnMin=17 EnMin= -1486.53481554570 IErMin=17 ErrMin= 2.46D-08 ErrMax= 2.46D-08 EMaxC= 1.00D-01 BMatC= 4.37D-13 BMatP= 1.01D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.419D-05 0.995D-05 0.293D-04-0.852D-04-0.303D-03-0.788D-03 Coeff-Com: 0.290D-03 0.503D-03 0.176D-02 0.528D-02 0.223D-03-0.120D-01 Coeff-Com: -0.431D-01-0.275D-01 0.959D-01 0.471D+00 0.509D+00 Coeff: 0.419D-05 0.995D-05 0.293D-04-0.852D-04-0.303D-03-0.788D-03 Coeff: 0.290D-03 0.503D-03 0.176D-02 0.528D-02 0.223D-03-0.120D-01 Coeff: -0.431D-01-0.275D-01 0.959D-01 0.471D+00 0.509D+00 Gap= 0.060 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=5.47D-09 MaxDP=1.31D-07 DE=-1.82D-12 OVMax= 8.20D-07 SCF Done: E(UB+HF-LYP) = -1486.53481555 A.U. after 17 cycles Convg = 0.5469D-08 -V/T = 2.4793 S**2 = 0.7550 KE= 1.004893553608D+03 PE=-6.998188574198D+03 EE= 2.822284685969D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7550, after 0.7500 Leave Link 502 at Sun Apr 13 00:04:18 2008, MaxMem= 1258291200 cpu: 181.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 172 NBasis= 172 NAE= 74 NBE= 73 NFC= 0 NFV= 0 NROrb= 172 NOA= 74 NOB= 73 NVA= 98 NVB= 99 **** Warning!!: The largest alpha MO coefficient is 0.12366428D+02 **** Warning!!: The smallest alpha delta epsilon is 0.59544797D-01 **** Warning!!: The largest beta MO coefficient is 0.12365142D+02 Leave Link 801 at Sun Apr 13 00:04:19 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 9. Will process 10 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Sun Apr 13 00:04:26 2008, MaxMem= 1258291200 cpu: 17.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 9. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sun Apr 13 00:04:27 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 9. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291126. G2DrvN: will do 10 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Sun Apr 13 00:05:46 2008, MaxMem= 1258291200 cpu: 287.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: UHF wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291126 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 303287223. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. CalDSu exits because no D1Ps are significant. There are 3 degrees of freedom in the 1st order CPHF. 3 vectors were produced by pass 0. AX will form 3 AO Fock derivatives at one time. 3 vectors were produced by pass 1. 3 vectors were produced by pass 2. 3 vectors were produced by pass 3. 3 vectors were produced by pass 4. 3 vectors were produced by pass 5. 3 vectors were produced by pass 6. 3 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. 3 vectors were produced by pass 11. 3 vectors were produced by pass 12. 3 vectors were produced by pass 13. 3 vectors were produced by pass 14. 3 vectors were produced by pass 15. 3 vectors were produced by pass 16. 3 vectors were produced by pass 17. 2 vectors were produced by pass 18. Inv2: IOpt= 1 Iter= 1 AM= 7.76D-16 Conv= 1.00D-12. Inverted reduced A of dimension 56 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.271107D+03 2 0.277436D+01 0.284841D+03 3 -0.181227D+01 0.225198D+01 0.271998D+03 Isotropic polarizability for W= 0.000000 275.98 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sun Apr 13 00:07:11 2008, MaxMem= 1258291200 cpu: 303.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26247 -10.34535 -4.34669 -4.30166 -4.30126 Alpha occ. eigenvalues -- -4.29768 -4.28838 -4.28752 -4.28722 -2.85843 Alpha occ. eigenvalues -- -2.85074 -2.84994 -2.81047 -2.80956 -2.80905 Alpha occ. eigenvalues -- -2.80840 -2.80767 -2.80729 -2.80597 -2.80488 Alpha occ. eigenvalues -- -2.80358 -2.79775 -2.79687 -2.79655 -2.79461 Alpha occ. eigenvalues -- -2.79455 -2.79390 -2.79370 -2.79367 -2.79344 Alpha occ. eigenvalues -- -1.17889 -0.58260 -0.48239 -0.47606 -0.46474 Alpha occ. eigenvalues -- -0.35748 -0.34145 -0.33994 -0.32888 -0.32878 Alpha occ. eigenvalues -- -0.32600 -0.31231 -0.30935 -0.30903 -0.30820 Alpha occ. eigenvalues -- -0.29715 -0.29710 -0.29272 -0.28896 -0.28824 Alpha occ. eigenvalues -- -0.28666 -0.28062 -0.28014 -0.27440 -0.27263 Alpha occ. eigenvalues -- -0.27072 -0.26812 -0.26762 -0.26617 -0.26347 Alpha occ. eigenvalues -- -0.26343 -0.26224 -0.26096 -0.26079 -0.25989 Alpha occ. eigenvalues -- -0.25922 -0.25853 -0.25645 -0.25349 -0.25310 Alpha occ. eigenvalues -- -0.24830 -0.20983 -0.20723 -0.14653 Alpha virt. eigenvalues -- -0.08699 -0.08325 -0.07729 -0.07402 -0.07333 Alpha virt. eigenvalues -- -0.03003 -0.02696 -0.00853 -0.00332 -0.00039 Alpha virt. eigenvalues -- 0.01592 0.01849 0.02735 0.02930 0.03319 Alpha virt. eigenvalues -- 0.03460 0.04255 0.04320 0.04731 0.04812 Alpha virt. eigenvalues -- 0.05009 0.05928 0.06518 0.07092 0.07314 Alpha virt. eigenvalues -- 0.08000 0.08265 0.08561 0.09153 0.09757 Alpha virt. eigenvalues -- 0.09916 0.10434 0.10590 0.11886 0.12223 Alpha virt. eigenvalues -- 0.18848 0.19056 0.19649 0.21416 0.23412 Alpha virt. eigenvalues -- 0.24307 0.24856 0.26745 0.27451 0.27786 Alpha virt. eigenvalues -- 0.30467 0.30895 0.33958 0.39360 0.41012 Alpha virt. eigenvalues -- 0.53878 0.63548 0.64554 0.65547 0.67017 Alpha virt. eigenvalues -- 0.67291 0.67727 0.68898 0.69715 0.70993 Alpha virt. eigenvalues -- 0.73341 0.77011 0.78518 0.81767 0.82614 Alpha virt. eigenvalues -- 0.84346 0.85952 0.86799 0.86877 0.89620 Alpha virt. eigenvalues -- 0.90120 0.91894 0.93855 0.98440 1.02828 Alpha virt. eigenvalues -- 1.03088 1.04721 1.06412 1.08196 1.16578 Alpha virt. eigenvalues -- 1.17896 1.21719 1.24884 1.28518 1.29008 Alpha virt. eigenvalues -- 1.29341 1.31300 1.31598 1.31955 1.35299 Alpha virt. eigenvalues -- 1.55537 1.68090 1.80288 1.84187 2.21419 Alpha virt. eigenvalues -- 2.24534 2.36289 10.22071 Beta occ. eigenvalues -- -19.26149 -10.34337 -4.34417 -4.30114 -4.30071 Beta occ. eigenvalues -- -4.29704 -4.28803 -4.28704 -4.28675 -2.85540 Beta occ. eigenvalues -- -2.84867 -2.84735 -2.80963 -2.80926 -2.80892 Beta occ. eigenvalues -- -2.80844 -2.80680 -2.80629 -2.80502 -2.80487 Beta occ. eigenvalues -- -2.80279 -2.79741 -2.79627 -2.79597 -2.79440 Beta occ. eigenvalues -- -2.79419 -2.79363 -2.79340 -2.79315 -2.79296 Beta occ. eigenvalues -- -1.17667 -0.57897 -0.47808 -0.47478 -0.45732 Beta occ. eigenvalues -- -0.35285 -0.33997 -0.33900 -0.32691 -0.32538 Beta occ. eigenvalues -- -0.32256 -0.31095 -0.30808 -0.30738 -0.30542 Beta occ. eigenvalues -- -0.29655 -0.29652 -0.29257 -0.28806 -0.28592 Beta occ. eigenvalues -- -0.28529 -0.27983 -0.27912 -0.27267 -0.27101 Beta occ. eigenvalues -- -0.27036 -0.26676 -0.26649 -0.26541 -0.26290 Beta occ. eigenvalues -- -0.26175 -0.26135 -0.26017 -0.25980 -0.25836 Beta occ. eigenvalues -- -0.25802 -0.25794 -0.25360 -0.25249 -0.25197 Beta occ. eigenvalues -- -0.24803 -0.20663 -0.20425 Beta virt. eigenvalues -- -0.10110 -0.08126 -0.07941 -0.07211 -0.07158 Beta virt. eigenvalues -- -0.07035 -0.02415 -0.02161 -0.00617 -0.00168 Beta virt. eigenvalues -- 0.00433 0.01760 0.01916 0.02887 0.03157 Beta virt. eigenvalues -- 0.03555 0.03616 0.04350 0.04404 0.04875 Beta virt. eigenvalues -- 0.04932 0.05130 0.06096 0.06652 0.07178 Beta virt. eigenvalues -- 0.07415 0.08056 0.08302 0.08560 0.09396 Beta virt. eigenvalues -- 0.09922 0.10076 0.10534 0.10639 0.12267 Beta virt. eigenvalues -- 0.12561 0.19216 0.19510 0.20002 0.21548 Beta virt. eigenvalues -- 0.23632 0.24584 0.25149 0.26947 0.27735 Beta virt. eigenvalues -- 0.28028 0.30734 0.31049 0.34243 0.39468 Beta virt. eigenvalues -- 0.41300 0.54146 0.63960 0.64808 0.65840 Beta virt. eigenvalues -- 0.67163 0.67552 0.67961 0.69051 0.69918 Beta virt. eigenvalues -- 0.71204 0.73569 0.77156 0.78686 0.82054 Beta virt. eigenvalues -- 0.82860 0.84637 0.86124 0.86987 0.87139 Beta virt. eigenvalues -- 0.89991 0.90512 0.92225 0.94077 0.98623 Beta virt. eigenvalues -- 1.03070 1.03426 1.05046 1.06692 1.08524 Beta virt. eigenvalues -- 1.16770 1.18093 1.22035 1.25140 1.28780 Beta virt. eigenvalues -- 1.29240 1.29546 1.31485 1.31837 1.32123 Beta virt. eigenvalues -- 1.35637 1.55700 1.68282 1.80414 1.84349 Beta virt. eigenvalues -- 2.21575 2.24860 2.36452 10.22222 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.035492 -0.034470 -0.029621 -0.057502 0.062011 0.062906 2 Cu -0.034470 19.087256 -0.020017 -0.133982 0.001058 -0.018624 3 Cu -0.029621 -0.020017 19.052904 -0.131024 0.076746 -0.023438 4 Cu -0.057502 -0.133982 -0.131024 19.250972 -0.087814 -0.122596 5 Cu 0.062011 0.001058 0.076746 -0.087814 19.030985 -0.017097 6 Cu 0.062906 -0.018624 -0.023438 -0.122596 -0.017097 19.074321 7 Cu 0.060259 0.075396 0.003020 -0.085558 0.068588 -0.019104 8 C 0.010182 0.006876 0.007256 0.133432 0.020226 0.004728 9 O -0.000886 -0.000989 -0.001085 0.042010 -0.012915 -0.003488 7 8 9 1 Cu 0.060259 0.010182 -0.000886 2 Cu 0.075396 0.006876 -0.000989 3 Cu 0.003020 0.007256 -0.001085 4 Cu -0.085558 0.133432 0.042010 5 Cu 0.068588 0.020226 -0.012915 6 Cu -0.019104 0.004728 -0.003488 7 Cu 18.989745 0.021465 -0.013059 8 C 0.021465 5.145230 0.544427 9 O -0.013059 0.544427 7.558462 Mulliken atomic charges: 1 1 Cu -0.108370 2 Cu 0.037496 3 Cu 0.065258 4 Cu 0.192062 5 Cu -0.141788 6 Cu 0.062391 7 Cu -0.100750 8 C 0.106177 9 O -0.112477 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.108370 2 Cu 0.037496 3 Cu 0.065258 4 Cu 0.192062 5 Cu -0.141788 6 Cu 0.062391 7 Cu -0.100750 8 C 0.106177 9 O -0.112477 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.092639 -0.025783 -0.025953 0.027819 0.006247 -0.007180 2 Cu -0.025783 0.119613 0.047722 -0.027161 -0.006402 0.057854 3 Cu -0.025953 0.047722 0.108881 -0.027468 0.001027 0.054380 4 Cu 0.027819 -0.027161 -0.027468 0.126891 0.013173 -0.027393 5 Cu 0.006247 -0.006402 0.001027 0.013173 0.091872 -0.013186 6 Cu -0.007180 0.057854 0.054380 -0.027393 -0.013186 0.171921 7 Cu 0.006122 0.000808 -0.008512 0.015649 0.011963 -0.014568 8 C -0.004813 -0.000891 -0.000093 -0.011293 -0.005214 -0.001449 9 O -0.000087 -0.000011 -0.000078 -0.000139 -0.000323 0.000069 7 8 9 1 Cu 0.006122 -0.004813 -0.000087 2 Cu 0.000808 -0.000891 -0.000011 3 Cu -0.008512 -0.000093 -0.000078 4 Cu 0.015649 -0.011293 -0.000139 5 Cu 0.011963 -0.005214 -0.000323 6 Cu -0.014568 -0.001449 0.000069 7 Cu 0.080885 -0.004639 -0.000380 8 C -0.004639 0.154207 -0.028724 9 O -0.000380 -0.028724 0.050906 Mulliken atomic spin densities: 1 1 Cu 0.069012 2 Cu 0.165749 3 Cu 0.149906 4 Cu 0.090077 5 Cu 0.099157 6 Cu 0.220449 7 Cu 0.087328 8 C 0.097090 9 O 0.021233 Sum of Mulliken spin densities= 1.00000 APT atomic charges: 1 1 Cu -0.052315 2 Cu -0.015518 3 Cu 0.011131 4 Cu 0.000775 5 Cu -0.053302 6 Cu -0.026219 7 Cu -0.005470 8 C 1.147218 9 O -1.006300 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.052315 2 Cu -0.015518 3 Cu 0.011131 4 Cu 0.000775 5 Cu -0.053302 6 Cu -0.026219 7 Cu -0.005470 8 C 1.147218 9 O -1.006300 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3208.4118 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -1.0599 Y= 0.1670 Z= 0.2940 Tot= 1.1125 Quadrupole moment (field-independent basis, Debye-Ang): XX= -99.5791 YY= -104.9634 ZZ= -103.3016 XY= 3.7228 XZ= -2.5061 YZ= 5.0809 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 3.0356 YY= -2.3487 ZZ= -0.6869 XY= 3.7228 XZ= -2.5061 YZ= 5.0809 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -61.6762 YYY= 273.5621 ZZZ= -89.0509 XYY= -26.1360 XXY= 78.3063 XXZ= -25.2879 XZZ= -17.7484 YZZ= 89.5062 YYZ= -46.0957 XYZ= 9.6034 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1063.5911 YYYY= -1858.0727 ZZZZ= -1201.1418 XXXY= 86.6129 XXXZ= -46.1696 YYYX= 105.2350 YYYZ= 236.6069 ZZZX= -35.0483 ZZZY= 173.6415 XXYY= -450.1023 XXZZ= -363.6542 YYZZ= -520.9328 XXYZ= 51.0293 YYXZ= -48.8346 ZZXY= 44.5912 N-N= 1.684475519075D+03 E-N=-6.998188578544D+03 KE= 1.004893553608D+03 Exact polarizability: 271.107 2.774 284.841 -1.812 2.252 271.998 Approx polarizability: 598.699 6.107 627.246 -6.727 4.175 598.068 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00327 0.00117 0.00109 2 Cu(63) 0.00000 0.00276 0.00098 0.00092 3 Cu(63) 0.00000 0.00267 0.00095 0.00089 4 Cu(63) 0.00000 0.00071 0.00025 0.00024 5 Cu(63) 0.00000 0.00217 0.00078 0.00072 6 Cu(63) 0.00000 0.00408 0.00146 0.00136 7 Cu(63) 0.00000 0.00216 0.00077 0.00072 8 C(13) 0.09719 109.26307 38.98778 36.44624 9 O(17) 0.01394 -8.45267 -3.01612 -2.81951 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.008625 0.025572 -0.016947 2 Atom 0.120508 -0.060323 -0.060185 3 Atom -0.053907 -0.044612 0.098519 4 Atom -0.009185 -0.014968 0.024153 5 Atom -0.023460 -0.023871 0.047331 6 Atom -0.050129 0.101002 -0.050873 7 Atom 0.052190 -0.025335 -0.026855 8 Atom -0.023134 0.062305 -0.039171 9 Atom -0.033947 0.066670 -0.032723 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.010614 -0.006193 0.007612 2 Atom 0.009381 0.008277 -0.017454 3 Atom -0.029995 -0.045893 0.032192 4 Atom -0.007539 0.038479 -0.013137 5 Atom -0.008135 -0.023136 0.006929 6 Atom 0.058099 0.026232 0.037519 7 Atom -0.006225 0.003190 -0.005992 8 Atom 0.060378 0.013746 0.057696 9 Atom 0.097291 0.062371 0.095591 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0232 -3.281 -1.171 -1.094 0.5240 -0.2416 0.8167 1 Cu(63) Bbb -0.0061 -0.868 -0.310 -0.290 0.8147 -0.1375 -0.5634 Bcc 0.0293 4.149 1.481 1.384 0.2484 0.9606 0.1248 Baa -0.0785 -11.113 -3.965 -3.707 -0.0626 0.7081 0.7034 2 Cu(63) Bbb -0.0428 -6.060 -2.162 -2.021 0.0045 -0.7046 0.7096 Bcc 0.1213 17.173 6.128 5.728 0.9980 0.0476 0.0409 Baa -0.0811 -11.479 -4.096 -3.829 0.8112 0.5754 0.1042 3 Cu(63) Bbb -0.0395 -5.599 -1.998 -1.868 -0.5108 0.7840 -0.3526 Bcc 0.1206 17.078 6.094 5.697 -0.2846 0.2328 0.9300 Baa -0.0345 -4.884 -1.743 -1.629 0.8293 -0.0540 -0.5562 4 Cu(63) Bbb -0.0183 -2.590 -0.924 -0.864 0.1653 0.9745 0.1518 Bcc 0.0528 7.474 2.667 2.493 0.5338 -0.2178 0.8171 Baa -0.0340 -4.816 -1.719 -1.606 0.8251 0.5323 0.1893 5 Cu(63) Bbb -0.0212 -3.005 -1.072 -1.002 -0.4843 0.8390 -0.2482 Bcc 0.0552 7.821 2.791 2.609 -0.2910 0.1131 0.9500 Baa -0.0788 -11.157 -3.981 -3.722 0.8101 -0.1431 -0.5686 6 Cu(63) Bbb -0.0526 -7.448 -2.657 -2.484 0.4867 -0.3766 0.7882 Bcc 0.1314 18.605 6.639 6.206 0.3269 0.9152 0.2354 Baa -0.0322 -4.555 -1.625 -1.519 0.0214 0.6699 0.7421 7 Cu(63) Bbb -0.0207 -2.928 -1.045 -0.977 0.0923 0.7378 -0.6687 Bcc 0.0529 7.483 2.670 2.496 0.9955 -0.0828 0.0461 Baa -0.0713 -9.573 -3.416 -3.193 0.4349 -0.5153 0.7385 8 C(13) Bbb -0.0438 -5.884 -2.099 -1.963 0.8050 -0.1452 -0.5753 Bcc 0.1152 15.456 5.515 5.156 0.4036 0.8446 0.3517 Baa -0.0960 6.944 2.478 2.316 0.7985 -0.1326 -0.5871 9 O(17) Bbb -0.0896 6.481 2.313 2.162 0.3812 -0.6435 0.6638 Bcc 0.1855 -13.425 -4.790 -4.478 0.4658 0.7539 0.4633 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sun Apr 13 00:07:13 2008, MaxMem= 1258291200 cpu: 2.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-4.17003777D-01 6.57046813D-02 1.15655227D-01 Polarizability= 2.71106831D+02 2.77436071D+00 2.84840951D+02 -1.81227185D+00 2.25198246D+00 2.71997955D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000114221 0.000021905 -0.000064896 2 29 0.000005541 0.000039327 -0.000028214 3 29 0.000040730 0.000036696 0.000081537 4 29 -0.000169100 -0.000330279 -0.000077190 5 29 0.000116809 -0.000023576 0.000058359 6 29 0.000048582 0.000095539 -0.000080083 7 29 -0.000131439 -0.000104121 0.000079267 8 6 -0.000384283 0.001969450 -0.000435553 9 8 0.000358939 -0.001704942 0.000466773 ------------------------------------------------------------------- Cartesian Forces: Max 0.001969450 RMS 0.000534477 Leave Link 716 at Sun Apr 13 00:07:13 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=1 IStep= 1. Leave Link 106 at Sun Apr 13 00:07:13 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of -0.0019 0.0000 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1684.3977170244 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sun Apr 13 00:07:14 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 554 NPtTot= 95048 NUsed= 98963 NTot= 98995 NSgBfM= 186 186 186 186. Leave Link 302 at Sun Apr 13 00:07:16 2008, MaxMem= 1258291200 cpu: 7.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 1684.3199149741 hartrees. Leave Link 303 at Sun Apr 13 00:07:16 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. of initial guess= 0.7549 Leave Link 401 at Sun Apr 13 00:07:17 2008, MaxMem= 1258291200 cpu: 0.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 98962 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306792921. IEnd= 239127 IEndB= 239127 NGot=1258291200 MDV= 955639210 LenX= 955639210 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1486.53469360116 DIIS: error= 1.02D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1486.53469360116 IErMin= 1 ErrMin= 1.02D-03 ErrMax= 1.02D-03 EMaxC= 1.00D-01 BMatC= 3.48D-04 BMatP= 3.48D-04 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.02D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 GapD= 0.062 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.55D-04 MaxDP=9.46D-03 OVMax= 4.86D-02 Cycle 2 Pass 1 IDiag 1: E= -1486.53479363193 Delta-E= -0.000100030775 Rises=F Damp=T DIIS: error= 3.69D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1486.53479363193 IErMin= 2 ErrMin= 3.69D-04 ErrMax= 3.69D-04 EMaxC= 1.00D-01 BMatC= 2.60D-04 BMatP= 3.48D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.69D-03 Coeff-Com: 0.449D+00 0.551D+00 Coeff-En: 0.386D+00 0.614D+00 Coeff: 0.449D+00 0.551D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.15D-04 MaxDP=3.36D-03 DE=-1.00D-04 OVMax= 1.86D-02 Cycle 3 Pass 1 IDiag 1: E= -1486.53511716736 Delta-E= -0.000323535426 Rises=F Damp=F DIIS: error= 3.53D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1486.53511716736 IErMin= 3 ErrMin= 3.53D-04 ErrMax= 3.53D-04 EMaxC= 1.00D-01 BMatC= 2.15D-04 BMatP= 2.60D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.53D-03 Coeff-Com: 0.284D+00 0.350D+00 0.366D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.283D+00 0.349D+00 0.368D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.14D-05 MaxDP=9.78D-04 DE=-3.24D-04 OVMax= 3.42D-03 Cycle 4 Pass 1 IDiag 1: E= -1486.53517722714 Delta-E= -0.000060059783 Rises=F Damp=F DIIS: error= 6.24D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1486.53517722714 IErMin= 4 ErrMin= 6.24D-05 ErrMax= 6.24D-05 EMaxC= 1.00D-01 BMatC= 4.94D-06 BMatP= 2.15D-04 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.854D-01 0.277D-01 0.759D-01 0.811D+00 Coeff: 0.854D-01 0.277D-01 0.759D-01 0.811D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.94D-05 MaxDP=5.04D-04 DE=-6.01D-05 OVMax= 1.83D-03 Cycle 5 Pass 1 IDiag 1: E= -1486.53517959831 Delta-E= -0.000002371169 Rises=F Damp=F DIIS: error= 5.08D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1486.53517959831 IErMin= 5 ErrMin= 5.08D-05 ErrMax= 5.08D-05 EMaxC= 1.00D-01 BMatC= 4.54D-06 BMatP= 4.94D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.271D-01-0.225D-01-0.131D-01 0.532D+00 0.477D+00 Coeff: 0.271D-01-0.225D-01-0.131D-01 0.532D+00 0.477D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.27D-05 MaxDP=2.69D-04 DE=-2.37D-06 OVMax= 1.13D-03 Cycle 6 Pass 1 IDiag 1: E= -1486.53518059248 Delta-E= -0.000000994171 Rises=F Damp=F DIIS: error= 2.55D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1486.53518059248 IErMin= 6 ErrMin= 2.55D-05 ErrMax= 2.55D-05 EMaxC= 1.00D-01 BMatC= 1.20D-06 BMatP= 4.54D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.123D-02-0.194D-01-0.337D-01 0.142D+00 0.379D+00 0.531D+00 Coeff: 0.123D-02-0.194D-01-0.337D-01 0.142D+00 0.379D+00 0.531D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.99D-06 MaxDP=1.36D-04 DE=-9.94D-07 OVMax= 8.19D-04 Cycle 7 Pass 1 IDiag 1: E= -1486.53518093672 Delta-E= -0.000000344236 Rises=F Damp=F DIIS: error= 1.12D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1486.53518093672 IErMin= 7 ErrMin= 1.12D-05 ErrMax= 1.12D-05 EMaxC= 1.00D-01 BMatC= 2.02D-07 BMatP= 1.20D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.147D-02-0.120D-01-0.212D-01 0.309D-01 0.205D+00 0.369D+00 Coeff-Com: 0.430D+00 Coeff: -0.147D-02-0.120D-01-0.212D-01 0.309D-01 0.205D+00 0.369D+00 Coeff: 0.430D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.18D-06 MaxDP=5.91D-05 DE=-3.44D-07 OVMax= 4.20D-04 Cycle 8 Pass 1 IDiag 1: E= -1486.53518102575 Delta-E= -0.000000089033 Rises=F Damp=F DIIS: error= 7.05D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1486.53518102575 IErMin= 8 ErrMin= 7.05D-06 ErrMax= 7.05D-06 EMaxC= 1.00D-01 BMatC= 5.64D-08 BMatP= 2.02D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.475D-03-0.360D-02-0.448D-02-0.235D-01 0.284D-01 0.117D+00 Coeff-Com: 0.333D+00 0.554D+00 Coeff: -0.475D-03-0.360D-02-0.448D-02-0.235D-01 0.284D-01 0.117D+00 Coeff: 0.333D+00 0.554D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.44D-06 MaxDP=3.80D-05 DE=-8.90D-08 OVMax= 3.97D-04 Cycle 9 Pass 1 IDiag 1: E= -1486.53518105899 Delta-E= -0.000000033237 Rises=F Damp=F DIIS: error= 6.85D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1486.53518105899 IErMin= 9 ErrMin= 6.85D-06 ErrMax= 6.85D-06 EMaxC= 1.00D-01 BMatC= 3.74D-08 BMatP= 5.64D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.187D-03 0.166D-02 0.649D-02-0.396D-01-0.896D-01-0.876D-01 Coeff-Com: 0.858D-01 0.580D+00 0.543D+00 Coeff: 0.187D-03 0.166D-02 0.649D-02-0.396D-01-0.896D-01-0.876D-01 Coeff: 0.858D-01 0.580D+00 0.543D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.18D-06 MaxDP=3.11D-05 DE=-3.32D-08 OVMax= 3.92D-04 Cycle 10 Pass 1 IDiag 1: E= -1486.53518108339 Delta-E= -0.000000024399 Rises=F Damp=F DIIS: error= 1.40D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1486.53518108339 IErMin=10 ErrMin= 1.40D-06 ErrMax= 1.40D-06 EMaxC= 1.00D-01 BMatC= 2.37D-09 BMatP= 3.74D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.378D-03 0.157D-02 0.465D-02-0.153D-01-0.583D-01-0.801D-01 Coeff-Com: -0.235D-01 0.230D+00 0.248D+00 0.693D+00 Coeff: 0.378D-03 0.157D-02 0.465D-02-0.153D-01-0.583D-01-0.801D-01 Coeff: -0.235D-01 0.230D+00 0.248D+00 0.693D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=9.50D-07 MaxDP=1.61D-05 DE=-2.44D-08 OVMax= 1.68D-04 Cycle 11 Pass 1 IDiag 1: E= -1486.53518108664 Delta-E= -0.000000003256 Rises=F Damp=F DIIS: error= 1.18D-06 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1486.53518108664 IErMin=11 ErrMin= 1.18D-06 ErrMax= 1.18D-06 EMaxC= 1.00D-01 BMatC= 1.08D-09 BMatP= 2.37D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.223D-03 0.591D-03 0.136D-02-0.478D-03-0.161D-01-0.308D-01 Coeff-Com: -0.318D-01 0.185D-01 0.225D-01 0.463D+00 0.573D+00 Coeff: 0.223D-03 0.591D-03 0.136D-02-0.478D-03-0.161D-01-0.308D-01 Coeff: -0.318D-01 0.185D-01 0.225D-01 0.463D+00 0.573D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.01D-07 MaxDP=6.78D-06 DE=-3.26D-09 OVMax= 6.31D-05 Cycle 12 Pass 1 IDiag 1: E= -1486.53518108725 Delta-E= -0.000000000603 Rises=F Damp=F DIIS: error= 6.29D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1486.53518108725 IErMin=12 ErrMin= 6.29D-07 ErrMax= 6.29D-07 EMaxC= 1.00D-01 BMatC= 3.57D-10 BMatP= 1.08D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.512D-04-0.186D-03-0.670D-03 0.543D-02 0.898D-02 0.682D-02 Coeff-Com: -0.122D-01-0.656D-01-0.624D-01 0.412D-01 0.435D+00 0.644D+00 Coeff: 0.512D-04-0.186D-03-0.670D-03 0.543D-02 0.898D-02 0.682D-02 Coeff: -0.122D-01-0.656D-01-0.624D-01 0.412D-01 0.435D+00 0.644D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.41D-07 MaxDP=4.64D-06 DE=-6.03D-10 OVMax= 3.76D-05 Cycle 13 Pass 1 IDiag 1: E= -1486.53518108749 Delta-E= -0.000000000244 Rises=F Damp=F DIIS: error= 2.43D-07 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1486.53518108749 IErMin=13 ErrMin= 2.43D-07 ErrMax= 2.43D-07 EMaxC= 1.00D-01 BMatC= 5.37D-11 BMatP= 3.57D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.279D-05-0.209D-03-0.514D-03 0.297D-02 0.693D-02 0.856D-02 Coeff-Com: -0.233D-02-0.403D-01-0.335D-01-0.410D-01 0.146D+00 0.339D+00 Coeff-Com: 0.615D+00 Coeff: 0.279D-05-0.209D-03-0.514D-03 0.297D-02 0.693D-02 0.856D-02 Coeff: -0.233D-02-0.403D-01-0.335D-01-0.410D-01 0.146D+00 0.339D+00 Coeff: 0.615D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.03D-07 MaxDP=2.24D-06 DE=-2.44D-10 OVMax= 1.37D-05 Cycle 14 Pass 1 IDiag 1: E= -1486.53518108753 Delta-E= -0.000000000039 Rises=F Damp=F DIIS: error= 2.46D-07 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1486.53518108753 IErMin=13 ErrMin= 2.43D-07 ErrMax= 2.46D-07 EMaxC= 1.00D-01 BMatC= 5.67D-11 BMatP= 5.37D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.288D-04-0.140D-03-0.207D-03 0.297D-03 0.280D-02 0.551D-02 Coeff-Com: 0.335D-02-0.783D-02 0.265D-03-0.783D-01-0.709D-01 0.460D-01 Coeff-Com: 0.598D+00 0.501D+00 Coeff: -0.288D-04-0.140D-03-0.207D-03 0.297D-03 0.280D-02 0.551D-02 Coeff: 0.335D-02-0.783D-02 0.265D-03-0.783D-01-0.709D-01 0.460D-01 Coeff: 0.598D+00 0.501D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=7.42D-08 MaxDP=1.69D-06 DE=-3.91D-11 OVMax= 1.11D-05 Cycle 15 Pass 1 IDiag 1: E= -1486.53518108756 Delta-E= -0.000000000026 Rises=F Damp=F DIIS: error= 5.48D-08 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1486.53518108756 IErMin=15 ErrMin= 5.48D-08 ErrMax= 5.48D-08 EMaxC= 1.00D-01 BMatC= 3.22D-12 BMatP= 5.37D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.477D-05 0.359D-05 0.739D-04-0.664D-03-0.667D-03-0.743D-03 Coeff-Com: 0.254D-02 0.943D-02 0.696D-02-0.134D-01-0.673D-01-0.798D-01 Coeff-Com: 0.736D-01 0.149D+00 0.921D+00 Coeff: -0.477D-05 0.359D-05 0.739D-04-0.664D-03-0.667D-03-0.743D-03 Coeff: 0.254D-02 0.943D-02 0.696D-02-0.134D-01-0.673D-01-0.798D-01 Coeff: 0.736D-01 0.149D+00 0.921D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.50D-08 MaxDP=7.66D-07 DE=-2.59D-11 OVMax= 5.84D-06 Cycle 16 Pass 1 IDiag 1: E= -1486.53518108756 Delta-E= -0.000000000001 Rises=F Damp=F DIIS: error= 3.95D-08 at cycle 16 NSaved= 16. NSaved=16 IEnMin=16 EnMin= -1486.53518108756 IErMin=16 ErrMin= 3.95D-08 ErrMax= 3.95D-08 EMaxC= 1.00D-01 BMatC= 1.11D-12 BMatP= 3.22D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.678D-06 0.127D-04 0.593D-04-0.378D-03-0.627D-03-0.972D-03 Coeff-Com: 0.100D-02 0.627D-02 0.309D-02-0.102D-03-0.308D-01-0.485D-01 Coeff-Com: -0.152D-01 0.256D-01 0.569D+00 0.492D+00 Coeff: 0.678D-06 0.127D-04 0.593D-04-0.378D-03-0.627D-03-0.972D-03 Coeff: 0.100D-02 0.627D-02 0.309D-02-0.102D-03-0.308D-01-0.485D-01 Coeff: -0.152D-01 0.256D-01 0.569D+00 0.492D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.25D-09 MaxDP=2.10D-07 DE=-1.36D-12 OVMax= 1.07D-06 SCF Done: E(UB+HF-LYP) = -1486.53518109 A.U. after 16 cycles Convg = 0.8248D-08 -V/T = 2.4793 S**2 = 0.7547 KE= 1.004881803790D+03 PE=-6.998028156641D+03 EE= 2.822291256790D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7547, after 0.7500 Leave Link 502 at Sun Apr 13 00:08:06 2008, MaxMem= 1258291200 cpu: 173.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 172 NBasis= 172 NAE= 74 NBE= 73 NFC= 0 NFV= 0 NROrb= 172 NOA= 74 NOB= 73 NVA= 98 NVB= 99 **** Warning!!: The largest alpha MO coefficient is 0.12367034D+02 **** Warning!!: The smallest alpha delta epsilon is 0.60849766D-01 **** Warning!!: The largest beta MO coefficient is 0.12365766D+02 Leave Link 801 at Sun Apr 13 00:08:06 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 9. Will process 10 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Sun Apr 13 00:08:12 2008, MaxMem= 1258291200 cpu: 17.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 9. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sun Apr 13 00:08:13 2008, MaxMem= 1258291200 cpu: 0.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 9. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291126. G2DrvN: will do 10 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Sun Apr 13 00:09:23 2008, MaxMem= 1258291200 cpu: 279.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: UHF wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291126 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 303287223. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. CalDSu exits because no D1Ps are significant. There are 3 degrees of freedom in the 1st order CPHF. 3 vectors were produced by pass 0. AX will form 3 AO Fock derivatives at one time. 3 vectors were produced by pass 1. 3 vectors were produced by pass 2. 3 vectors were produced by pass 3. 3 vectors were produced by pass 4. 3 vectors were produced by pass 5. 3 vectors were produced by pass 6. 3 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. 3 vectors were produced by pass 11. 3 vectors were produced by pass 12. 3 vectors were produced by pass 13. 3 vectors were produced by pass 14. 3 vectors were produced by pass 15. 3 vectors were produced by pass 16. 3 vectors were produced by pass 17. 3 vectors were produced by pass 18. 1 vectors were produced by pass 19. Inv2: IOpt= 1 Iter= 1 AM= 1.05D-15 Conv= 1.00D-12. Inverted reduced A of dimension 58 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.275042D+03 2 0.239730D+01 0.283040D+03 3 -0.212784D+01 0.177258D+00 0.270263D+03 Isotropic polarizability for W= 0.000000 276.11 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sun Apr 13 00:10:48 2008, MaxMem= 1258291200 cpu: 307.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26065 -10.34361 -4.34505 -4.30064 -4.30048 Alpha occ. eigenvalues -- -4.29700 -4.28732 -4.28669 -4.28652 -2.85673 Alpha occ. eigenvalues -- -2.84914 -2.84835 -2.80954 -2.80869 -2.80811 Alpha occ. eigenvalues -- -2.80752 -2.80677 -2.80645 -2.80529 -2.80413 Alpha occ. eigenvalues -- -2.80283 -2.79670 -2.79604 -2.79586 -2.79363 Alpha occ. eigenvalues -- -2.79354 -2.79304 -2.79297 -2.79281 -2.79272 Alpha occ. eigenvalues -- -1.17649 -0.57969 -0.47988 -0.47328 -0.46200 Alpha occ. eigenvalues -- -0.35658 -0.34001 -0.33865 -0.32754 -0.32728 Alpha occ. eigenvalues -- -0.32459 -0.31136 -0.30851 -0.30810 -0.30717 Alpha occ. eigenvalues -- -0.29621 -0.29613 -0.29187 -0.28806 -0.28731 Alpha occ. eigenvalues -- -0.28575 -0.27961 -0.27917 -0.27357 -0.27182 Alpha occ. eigenvalues -- -0.26986 -0.26729 -0.26674 -0.26527 -0.26260 Alpha occ. eigenvalues -- -0.26251 -0.26142 -0.26001 -0.26000 -0.25908 Alpha occ. eigenvalues -- -0.25840 -0.25770 -0.25553 -0.25253 -0.25230 Alpha occ. eigenvalues -- -0.24744 -0.20856 -0.20659 -0.14620 Alpha virt. eigenvalues -- -0.08535 -0.08147 -0.07544 -0.07327 -0.07260 Alpha virt. eigenvalues -- -0.02883 -0.02551 -0.00840 -0.00422 0.00295 Alpha virt. eigenvalues -- 0.01448 0.01970 0.02753 0.02963 0.03363 Alpha virt. eigenvalues -- 0.03646 0.04108 0.04258 0.05059 0.05161 Alpha virt. eigenvalues -- 0.05191 0.06060 0.06266 0.07129 0.07315 Alpha virt. eigenvalues -- 0.08135 0.08330 0.08573 0.09122 0.09694 Alpha virt. eigenvalues -- 0.09941 0.10416 0.10488 0.11818 0.12182 Alpha virt. eigenvalues -- 0.18886 0.19206 0.19825 0.21904 0.23483 Alpha virt. eigenvalues -- 0.24337 0.24969 0.26802 0.27434 0.27916 Alpha virt. eigenvalues -- 0.30482 0.30939 0.34053 0.39734 0.41314 Alpha virt. eigenvalues -- 0.54215 0.63663 0.64690 0.65698 0.67142 Alpha virt. eigenvalues -- 0.67510 0.67855 0.69157 0.69785 0.71064 Alpha virt. eigenvalues -- 0.73630 0.77271 0.78598 0.81911 0.82743 Alpha virt. eigenvalues -- 0.84429 0.86038 0.86943 0.86968 0.89726 Alpha virt. eigenvalues -- 0.90198 0.92007 0.93927 0.98608 1.02933 Alpha virt. eigenvalues -- 1.03163 1.04813 1.06506 1.08281 1.16731 Alpha virt. eigenvalues -- 1.17919 1.21793 1.24980 1.28603 1.29100 Alpha virt. eigenvalues -- 1.29466 1.31331 1.31685 1.32038 1.35392 Alpha virt. eigenvalues -- 1.55753 1.68283 1.80345 1.84176 2.21322 Alpha virt. eigenvalues -- 2.24489 2.36497 10.22361 Beta occ. eigenvalues -- -19.25977 -10.34173 -4.34249 -4.30010 -4.29994 Beta occ. eigenvalues -- -4.29640 -4.28697 -4.28618 -4.28604 -2.85366 Beta occ. eigenvalues -- -2.84700 -2.84576 -2.80867 -2.80825 -2.80810 Beta occ. eigenvalues -- -2.80756 -2.80587 -2.80545 -2.80430 -2.80425 Beta occ. eigenvalues -- -2.80209 -2.79634 -2.79540 -2.79526 -2.79343 Beta occ. eigenvalues -- -2.79317 -2.79276 -2.79266 -2.79229 -2.79224 Beta occ. eigenvalues -- -1.17448 -0.57629 -0.47603 -0.47211 -0.45488 Beta occ. eigenvalues -- -0.35190 -0.33853 -0.33765 -0.32543 -0.32393 Beta occ. eigenvalues -- -0.32120 -0.31002 -0.30714 -0.30637 -0.30453 Beta occ. eigenvalues -- -0.29564 -0.29552 -0.29172 -0.28718 -0.28500 Beta occ. eigenvalues -- -0.28438 -0.27883 -0.27816 -0.27173 -0.27018 Beta occ. eigenvalues -- -0.26950 -0.26586 -0.26560 -0.26449 -0.26202 Beta occ. eigenvalues -- -0.26095 -0.26039 -0.25924 -0.25900 -0.25752 Beta occ. eigenvalues -- -0.25720 -0.25711 -0.25263 -0.25157 -0.25117 Beta occ. eigenvalues -- -0.24717 -0.20548 -0.20358 Beta virt. eigenvalues -- -0.10053 -0.08061 -0.07755 -0.07113 -0.06979 Beta virt. eigenvalues -- -0.06965 -0.02275 -0.02005 -0.00662 -0.00270 Beta virt. eigenvalues -- 0.00829 0.01658 0.02024 0.02895 0.03135 Beta virt. eigenvalues -- 0.03574 0.03833 0.04195 0.04322 0.05204 Beta virt. eigenvalues -- 0.05294 0.05320 0.06226 0.06415 0.07231 Beta virt. eigenvalues -- 0.07399 0.08184 0.08330 0.08574 0.09366 Beta virt. eigenvalues -- 0.09951 0.10097 0.10452 0.10534 0.12200 Beta virt. eigenvalues -- 0.12537 0.19287 0.19666 0.20133 0.22033 Beta virt. eigenvalues -- 0.23709 0.24624 0.25256 0.27004 0.27721 Beta virt. eigenvalues -- 0.28152 0.30760 0.31091 0.34342 0.39838 Beta virt. eigenvalues -- 0.41585 0.54478 0.64075 0.64942 0.65982 Beta virt. eigenvalues -- 0.67293 0.67780 0.68089 0.69291 0.69992 Beta virt. eigenvalues -- 0.71277 0.73841 0.77417 0.78767 0.82193 Beta virt. eigenvalues -- 0.82992 0.84713 0.86210 0.87126 0.87227 Beta virt. eigenvalues -- 0.90093 0.90591 0.92328 0.94145 0.98783 Beta virt. eigenvalues -- 1.03175 1.03507 1.05134 1.06785 1.08614 Beta virt. eigenvalues -- 1.16918 1.18122 1.22123 1.25235 1.28868 Beta virt. eigenvalues -- 1.29331 1.29663 1.31524 1.31926 1.32208 Beta virt. eigenvalues -- 1.35736 1.55908 1.68471 1.80467 1.84344 Beta virt. eigenvalues -- 2.21484 2.24825 2.36654 10.22511 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.002702 -0.029255 -0.034719 -0.056186 0.060100 0.062487 2 Cu -0.029255 19.054462 -0.023581 -0.129417 0.003050 -0.023777 3 Cu -0.034719 -0.023581 19.090729 -0.131918 0.076661 -0.018141 4 Cu -0.056186 -0.129417 -0.131918 19.248000 -0.085255 -0.121617 5 Cu 0.060100 0.003050 0.076661 -0.085255 18.997461 -0.022471 6 Cu 0.062487 -0.023777 -0.018141 -0.121617 -0.022471 19.111038 7 Cu 0.061772 0.078318 -0.000864 -0.086008 0.069043 -0.020361 8 C 0.010917 0.007052 0.006552 0.129739 0.020503 0.004255 9 O -0.000715 -0.000853 -0.000992 0.041947 -0.012694 -0.003435 7 8 9 1 Cu 0.061772 0.010917 -0.000715 2 Cu 0.078318 0.007052 -0.000853 3 Cu -0.000864 0.006552 -0.000992 4 Cu -0.086008 0.129739 0.041947 5 Cu 0.069043 0.020503 -0.012694 6 Cu -0.020361 0.004255 -0.003435 7 Cu 19.037121 0.021794 -0.013176 8 C 0.021794 5.138540 0.547565 9 O -0.013176 0.547565 7.547304 Mulliken atomic charges: 1 1 Cu -0.077104 2 Cu 0.064002 3 Cu 0.036273 4 Cu 0.190713 5 Cu -0.106399 6 Cu 0.032021 7 Cu -0.147639 8 C 0.113084 9 O -0.104951 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.077104 2 Cu 0.064002 3 Cu 0.036273 4 Cu 0.190713 5 Cu -0.106399 6 Cu 0.032021 7 Cu -0.147639 8 C 0.113084 9 O -0.104951 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.077424 -0.025396 -0.024336 0.026942 0.005991 -0.007256 2 Cu -0.025396 0.106653 0.046565 -0.026174 -0.008798 0.054870 3 Cu -0.024336 0.046565 0.121374 -0.025695 0.000758 0.060576 4 Cu 0.026942 -0.026174 -0.025695 0.130108 0.014623 -0.024530 5 Cu 0.005991 -0.008798 0.000758 0.014623 0.077339 -0.012579 6 Cu -0.007256 0.054870 0.060576 -0.024530 -0.012579 0.186458 7 Cu 0.005717 0.001052 -0.007378 0.012940 0.010935 -0.012104 8 C -0.004116 -0.000229 -0.001243 -0.011224 -0.005077 -0.002388 9 O -0.000149 -0.000052 0.000033 -0.000140 -0.000230 0.000105 7 8 9 1 Cu 0.005717 -0.004116 -0.000149 2 Cu 0.001052 -0.000229 -0.000052 3 Cu -0.007378 -0.001243 0.000033 4 Cu 0.012940 -0.011224 -0.000140 5 Cu 0.010935 -0.005077 -0.000230 6 Cu -0.012104 -0.002388 0.000105 7 Cu 0.088599 -0.004472 -0.000453 8 C -0.004472 0.143768 -0.025413 9 O -0.000453 -0.025413 0.044925 Mulliken atomic spin densities: 1 1 Cu 0.054820 2 Cu 0.148492 3 Cu 0.170655 4 Cu 0.096850 5 Cu 0.082962 6 Cu 0.243152 7 Cu 0.094836 8 C 0.089606 9 O 0.018626 Sum of Mulliken spin densities= 1.00000 APT atomic charges: 1 1 Cu -0.014194 2 Cu 0.017271 3 Cu -0.011605 4 Cu -0.004762 5 Cu -0.019925 6 Cu -0.048274 7 Cu -0.069157 8 C 1.097776 9 O -0.947131 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.014194 2 Cu 0.017271 3 Cu -0.011605 4 Cu -0.004762 5 Cu -0.019925 6 Cu -0.048274 7 Cu -0.069157 8 C 1.097776 9 O -0.947131 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3207.7960 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 1.5579 Y= 0.1915 Z= 0.2753 Tot= 1.5936 Quadrupole moment (field-independent basis, Debye-Ang): XX= -100.1627 YY= -104.1167 ZZ= -102.7365 XY= 1.7849 XZ= -1.9540 YZ= 5.5028 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.1760 YY= -1.7781 ZZ= -0.3979 XY= 1.7849 XZ= -1.9540 YZ= 5.5028 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -39.9808 YYY= 270.8355 ZZZ= -88.0662 XYY= -15.6014 XXY= 80.0715 XXZ= -26.5508 XZZ= -9.0507 YZZ= 89.2731 YYZ= -45.8945 XYZ= 9.6732 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1076.8254 YYYY= -1842.4172 ZZZZ= -1195.3760 XXXY= 69.4271 XXXZ= -40.6409 YYYX= 85.8175 YYYZ= 237.2388 ZZZX= -31.7680 ZZZY= 175.0754 XXYY= -448.8567 XXZZ= -362.4571 YYZZ= -514.0510 XXYZ= 57.2589 YYXZ= -45.0912 ZZXY= 37.2883 N-N= 1.684319914974D+03 E-N=-6.998028150865D+03 KE= 1.004881803790D+03 Exact polarizability: 275.042 2.397 283.040 -2.128 0.177 270.263 Approx polarizability: 603.928 8.824 621.080 -11.073 7.082 589.003 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00295 0.00105 0.00098 2 Cu(63) 0.00000 0.00262 0.00094 0.00088 3 Cu(63) 0.00000 0.00284 0.00101 0.00095 4 Cu(63) 0.00000 0.00066 0.00023 0.00022 5 Cu(63) 0.00000 0.00208 0.00074 0.00069 6 Cu(63) 0.00000 0.00411 0.00147 0.00137 7 Cu(63) 0.00000 0.00207 0.00074 0.00069 8 C(13) 0.09700 109.04823 38.91112 36.37457 9 O(17) 0.01303 -7.89981 -2.81885 -2.63509 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.009806 0.025479 -0.015673 2 Atom 0.117014 -0.058929 -0.058085 3 Atom -0.056468 -0.044126 0.100594 4 Atom -0.003440 -0.015635 0.019075 5 Atom -0.021832 -0.023266 0.045098 6 Atom -0.053476 0.103741 -0.050264 7 Atom 0.057957 -0.028648 -0.029309 8 Atom -0.020594 0.060061 -0.039468 9 Atom -0.026881 0.065172 -0.038291 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.010748 -0.003960 0.008428 2 Atom 0.008159 0.009063 -0.022618 3 Atom -0.028154 -0.039658 0.036096 4 Atom -0.006203 0.035512 -0.016368 5 Atom -0.008900 -0.021851 0.008393 6 Atom 0.050775 0.023207 0.042032 7 Atom -0.004716 0.003126 -0.007720 8 Atom 0.057351 0.010003 0.049215 9 Atom 0.093846 0.055174 0.081868 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0211 -2.992 -1.068 -0.998 0.5346 -0.2682 0.8015 1 Cu(63) Bbb -0.0085 -1.200 -0.428 -0.400 0.8088 -0.1127 -0.5772 Bcc 0.0296 4.193 1.496 1.398 0.2451 0.9568 0.1566 Baa -0.0819 -11.592 -4.136 -3.867 -0.0611 0.7116 0.6999 2 Cu(63) Bbb -0.0359 -5.081 -1.813 -1.695 -0.0048 -0.7014 0.7128 Bcc 0.1178 16.673 5.949 5.562 0.9981 0.0402 0.0463 Baa -0.0796 -11.275 -4.023 -3.761 0.8120 0.5803 0.0625 3 Cu(63) Bbb -0.0410 -5.811 -2.074 -1.938 -0.5279 0.7759 -0.3455 Bcc 0.1207 17.087 6.097 5.699 -0.2490 0.2476 0.9363 Baa -0.0313 -4.426 -1.579 -1.476 0.7014 -0.3637 -0.6130 4 Cu(63) Bbb -0.0182 -2.577 -0.919 -0.859 0.4415 0.8968 -0.0268 Bcc 0.0495 7.003 2.499 2.336 0.5596 -0.2519 0.7896 Baa -0.0329 -4.655 -1.661 -1.553 0.7893 0.5935 0.1573 5 Cu(63) Bbb -0.0202 -2.860 -1.020 -0.954 -0.5399 0.7929 -0.2826 Bcc 0.0531 7.515 2.681 2.507 -0.2924 0.1381 0.9463 Baa -0.0759 -10.750 -3.836 -3.586 0.8097 -0.0933 -0.5794 6 Cu(63) Bbb -0.0550 -7.780 -2.776 -2.595 0.5122 -0.3693 0.7754 Bcc 0.1309 18.530 6.612 6.181 0.2863 0.9246 0.2512 Baa -0.0367 -5.198 -1.855 -1.734 0.0109 0.6946 0.7193 7 Cu(63) Bbb -0.0216 -3.064 -1.093 -1.022 0.0697 0.7171 -0.6935 Bcc 0.0584 8.262 2.948 2.756 0.9975 -0.0577 0.0406 Baa -0.0663 -8.902 -3.176 -2.969 0.4604 -0.4956 0.7365 8 C(13) Bbb -0.0397 -5.323 -1.900 -1.776 0.7863 -0.1574 -0.5974 Bcc 0.1060 14.225 5.076 4.745 0.4120 0.8542 0.3173 Baa -0.0884 6.393 2.281 2.133 0.7726 -0.1423 -0.6187 9 O(17) Bbb -0.0820 5.932 2.117 1.979 0.4119 -0.6293 0.6590 Bcc 0.1703 -12.326 -4.398 -4.111 0.4832 0.7640 0.4276 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sun Apr 13 00:10:50 2008, MaxMem= 1258291200 cpu: 2.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 6.12913777D-01 7.53239539D-02 1.08315053D-01 Polarizability= 2.75041928D+02 2.39730464D+00 2.83039705D+02 -2.12784373D+00 1.77257660D-01 2.70262974D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000148324 -0.000018154 -0.000096250 2 29 0.000016978 0.000033592 0.000130706 3 29 0.000102777 0.000051132 -0.000019699 4 29 0.000031664 0.000012297 0.000083117 5 29 -0.000037584 -0.000019589 -0.000139469 6 29 -0.000071515 0.000057365 -0.000011951 7 29 -0.000080092 0.000041856 -0.000031333 8 6 0.000509664 -0.001599538 0.000523864 9 8 -0.000323567 0.001441038 -0.000438985 ------------------------------------------------------------------- Cartesian Forces: Max 0.001599538 RMS 0.000454499 Leave Link 716 at Sun Apr 13 00:10:50 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=1 IStep= 2. Leave Link 106 at Sun Apr 13 00:10:50 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0000 0.0019 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1684.3977170244 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sun Apr 13 00:10:51 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 554 NPtTot= 95048 NUsed= 98963 NTot= 98995 NSgBfM= 186 186 186 186. Leave Link 302 at Sun Apr 13 00:10:53 2008, MaxMem= 1258291200 cpu: 7.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 1683.9787237426 hartrees. Leave Link 303 at Sun Apr 13 00:10:54 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. of initial guess= 0.7549 Leave Link 401 at Sun Apr 13 00:10:54 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 98962 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306792921. IEnd= 239127 IEndB= 239127 NGot=1258291200 MDV= 955639210 LenX= 955639210 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1486.53437840689 DIIS: error= 1.17D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1486.53437840689 IErMin= 1 ErrMin= 1.17D-03 ErrMax= 1.17D-03 EMaxC= 1.00D-01 BMatC= 3.75D-04 BMatP= 3.75D-04 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.17D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.064 Goal= None Shift= 0.000 Gap= 0.102 Goal= None Shift= 0.000 GapD= 0.064 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.72D-04 MaxDP=6.60D-03 OVMax= 5.85D-02 Cycle 2 Pass 1 IDiag 1: E= -1486.53447505743 Delta-E= -0.000096650542 Rises=F Damp=T DIIS: error= 4.39D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1486.53447505743 IErMin= 2 ErrMin= 4.39D-04 ErrMax= 4.39D-04 EMaxC= 1.00D-01 BMatC= 3.27D-04 BMatP= 3.75D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.39D-03 Coeff-Com: 0.476D+00 0.524D+00 Coeff-En: 0.395D+00 0.605D+00 Coeff: 0.475D+00 0.525D+00 Gap= 0.063 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.02D-04 MaxDP=2.77D-03 DE=-9.67D-05 OVMax= 2.12D-02 Cycle 3 Pass 1 IDiag 1: E= -1486.53481359814 Delta-E= -0.000338540710 Rises=F Damp=F DIIS: error= 4.71D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1486.53481359814 IErMin= 2 ErrMin= 4.39D-04 ErrMax= 4.71D-04 EMaxC= 1.00D-01 BMatC= 1.80D-04 BMatP= 3.27D-04 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.71D-03 Coeff-Com: 0.307D+00 0.276D+00 0.417D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.306D+00 0.275D+00 0.420D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=7.02D-05 MaxDP=1.14D-03 DE=-3.39D-04 OVMax= 4.25D-03 Cycle 4 Pass 1 IDiag 1: E= -1486.53487782176 Delta-E= -0.000064223622 Rises=F Damp=F DIIS: error= 1.09D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1486.53487782176 IErMin= 4 ErrMin= 1.09D-04 ErrMax= 1.09D-04 EMaxC= 1.00D-01 BMatC= 2.14D-05 BMatP= 1.80D-04 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.09D-03 Coeff-Com: 0.127D+00-0.215D-01 0.203D+00 0.691D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.126D+00-0.215D-01 0.203D+00 0.692D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.51D-05 MaxDP=4.81D-04 DE=-6.42D-05 OVMax= 2.57D-03 Cycle 5 Pass 1 IDiag 1: E= -1486.53488258370 Delta-E= -0.000004761935 Rises=F Damp=F DIIS: error= 1.09D-04 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1486.53488258370 IErMin= 4 ErrMin= 1.09D-04 ErrMax= 1.09D-04 EMaxC= 1.00D-01 BMatC= 1.40D-05 BMatP= 2.14D-05 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.09D-03 Coeff-Com: 0.721D-01-0.452D-01 0.100D+00 0.538D+00 0.335D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.180D+00 0.820D+00 Coeff: 0.720D-01-0.452D-01 0.100D+00 0.538D+00 0.336D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.49D-05 MaxDP=3.20D-04 DE=-4.76D-06 OVMax= 8.94D-04 Cycle 6 Pass 1 IDiag 1: E= -1486.53488543295 Delta-E= -0.000002849247 Rises=F Damp=F DIIS: error= 4.38D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1486.53488543295 IErMin= 6 ErrMin= 4.38D-05 ErrMax= 4.38D-05 EMaxC= 1.00D-01 BMatC= 1.68D-06 BMatP= 1.40D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.133D-01-0.387D-01-0.125D-01 0.196D+00 0.244D+00 0.598D+00 Coeff: 0.133D-01-0.387D-01-0.125D-01 0.196D+00 0.244D+00 0.598D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=9.59D-06 MaxDP=1.42D-04 DE=-2.85D-06 OVMax= 1.21D-03 Cycle 7 Pass 1 IDiag 1: E= -1486.53488606581 Delta-E= -0.000000632866 Rises=F Damp=F DIIS: error= 2.30D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1486.53488606581 IErMin= 7 ErrMin= 2.30D-05 ErrMax= 2.30D-05 EMaxC= 1.00D-01 BMatC= 5.59D-07 BMatP= 1.68D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.105D-02-0.156D-01-0.266D-01 0.128D-01 0.681D-01 0.454D+00 Coeff-Com: 0.509D+00 Coeff: -0.105D-02-0.156D-01-0.266D-01 0.128D-01 0.681D-01 0.454D+00 Coeff: 0.509D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.45D-06 MaxDP=8.84D-05 DE=-6.33D-07 OVMax= 8.24D-04 Cycle 8 Pass 1 IDiag 1: E= -1486.53488634745 Delta-E= -0.000000281633 Rises=F Damp=F DIIS: error= 1.23D-05 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1486.53488634745 IErMin= 8 ErrMin= 1.23D-05 ErrMax= 1.23D-05 EMaxC= 1.00D-01 BMatC= 1.67D-07 BMatP= 5.59D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.210D-02-0.466D-02-0.138D-01-0.356D-01-0.322D-01 0.158D+00 Coeff-Com: 0.390D+00 0.541D+00 Coeff: -0.210D-02-0.466D-02-0.138D-01-0.356D-01-0.322D-01 0.158D+00 Coeff: 0.390D+00 0.541D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.03D-06 MaxDP=8.84D-05 DE=-2.82D-07 OVMax= 6.42D-04 Cycle 9 Pass 1 IDiag 1: E= -1486.53488643369 Delta-E= -0.000000086242 Rises=F Damp=F DIIS: error= 7.47D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1486.53488643369 IErMin= 9 ErrMin= 7.47D-06 ErrMax= 7.47D-06 EMaxC= 1.00D-01 BMatC= 5.03D-08 BMatP= 1.67D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.552D-03 0.161D-02 0.248D-02-0.358D-01-0.709D-01-0.114D+00 Coeff-Com: 0.106D+00 0.414D+00 0.698D+00 Coeff: -0.552D-03 0.161D-02 0.248D-02-0.358D-01-0.709D-01-0.114D+00 Coeff: 0.106D+00 0.414D+00 0.698D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.49D-06 MaxDP=5.40D-05 DE=-8.62D-08 OVMax= 5.36D-04 Cycle 10 Pass 1 IDiag 1: E= -1486.53488648149 Delta-E= -0.000000047800 Rises=F Damp=F DIIS: error= 3.15D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1486.53488648149 IErMin=10 ErrMin= 3.15D-06 ErrMax= 3.15D-06 EMaxC= 1.00D-01 BMatC= 9.73D-09 BMatP= 5.03D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.591D-03 0.976D-03 0.551D-02-0.121D-01-0.361D-01-0.122D+00 Coeff-Com: -0.531D-03 0.154D+00 0.393D+00 0.616D+00 Coeff: 0.591D-03 0.976D-03 0.551D-02-0.121D-01-0.361D-01-0.122D+00 Coeff: -0.531D-03 0.154D+00 0.393D+00 0.616D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.23D-06 MaxDP=2.23D-05 DE=-4.78D-08 OVMax= 1.81D-04 Cycle 11 Pass 1 IDiag 1: E= -1486.53488648716 Delta-E= -0.000000005671 Rises=F Damp=F DIIS: error= 1.61D-06 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1486.53488648716 IErMin=11 ErrMin= 1.61D-06 ErrMax= 1.61D-06 EMaxC= 1.00D-01 BMatC= 2.52D-09 BMatP= 9.73D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.597D-03 0.215D-03 0.329D-02-0.253D-03-0.852D-02-0.600D-01 Coeff-Com: -0.172D-01 0.186D-01 0.898D-01 0.433D+00 0.540D+00 Coeff: 0.597D-03 0.215D-03 0.329D-02-0.253D-03-0.852D-02-0.600D-01 Coeff: -0.172D-01 0.186D-01 0.898D-01 0.433D+00 0.540D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=5.13D-07 MaxDP=8.77D-06 DE=-5.67D-09 OVMax= 5.86D-05 Cycle 12 Pass 1 IDiag 1: E= -1486.53488648801 Delta-E= -0.000000000854 Rises=F Damp=F DIIS: error= 8.06D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1486.53488648801 IErMin=12 ErrMin= 8.06D-07 ErrMax= 8.06D-07 EMaxC= 1.00D-01 BMatC= 5.35D-10 BMatP= 2.52D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.259D-03-0.173D-03 0.508D-03 0.395D-02 0.460D-02-0.780D-03 Coeff-Com: -0.960D-02-0.244D-01-0.571D-01 0.495D-01 0.374D+00 0.659D+00 Coeff: 0.259D-03-0.173D-03 0.508D-03 0.395D-02 0.460D-02-0.780D-03 Coeff: -0.960D-02-0.244D-01-0.571D-01 0.495D-01 0.374D+00 0.659D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.42D-07 MaxDP=3.79D-06 DE=-8.54D-10 OVMax= 3.14D-05 Cycle 13 Pass 1 IDiag 1: E= -1486.53488648833 Delta-E= -0.000000000320 Rises=F Damp=F DIIS: error= 3.13D-07 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1486.53488648833 IErMin=13 ErrMin= 3.13D-07 ErrMax= 3.13D-07 EMaxC= 1.00D-01 BMatC= 1.08D-10 BMatP= 5.35D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.883D-04-0.167D-03-0.122D-03 0.255D-02 0.395D-02 0.799D-02 Coeff-Com: -0.261D-02-0.173D-01-0.508D-01-0.233D-01 0.177D+00 0.413D+00 Coeff-Com: 0.490D+00 Coeff: 0.883D-04-0.167D-03-0.122D-03 0.255D-02 0.395D-02 0.799D-02 Coeff: -0.261D-02-0.173D-01-0.508D-01-0.233D-01 0.177D+00 0.413D+00 Coeff: 0.490D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=9.74D-08 MaxDP=1.85D-06 DE=-3.20D-10 OVMax= 1.35D-05 Cycle 14 Pass 1 IDiag 1: E= -1486.53488648839 Delta-E= -0.000000000055 Rises=F Damp=F DIIS: error= 2.46D-07 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1486.53488648839 IErMin=14 ErrMin= 2.46D-07 ErrMax= 2.46D-07 EMaxC= 1.00D-01 BMatC= 5.75D-11 BMatP= 1.08D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.925D-04-0.740D-04-0.480D-03 0.218D-03 0.134D-02 0.915D-02 Coeff-Com: 0.191D-02-0.351D-02-0.161D-01-0.650D-01-0.480D-01 0.418D-01 Coeff-Com: 0.458D+00 0.621D+00 Coeff: -0.925D-04-0.740D-04-0.480D-03 0.218D-03 0.134D-02 0.915D-02 Coeff: 0.191D-02-0.351D-02-0.161D-01-0.650D-01-0.480D-01 0.418D-01 Coeff: 0.458D+00 0.621D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.28D-08 MaxDP=1.49D-06 DE=-5.55D-11 OVMax= 1.32D-05 Cycle 15 Pass 1 IDiag 1: E= -1486.53488648842 Delta-E= -0.000000000030 Rises=F Damp=F DIIS: error= 5.53D-08 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1486.53488648842 IErMin=15 ErrMin= 5.53D-08 ErrMax= 5.53D-08 EMaxC= 1.00D-01 BMatC= 2.44D-12 BMatP= 5.75D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.280D-04-0.334D-05-0.806D-04-0.332D-03-0.296D-03 0.119D-02 Coeff-Com: 0.123D-02 0.314D-02 0.230D-02-0.146D-01-0.440D-01-0.539D-01 Coeff-Com: 0.856D-01 0.151D+00 0.869D+00 Coeff: -0.280D-04-0.334D-05-0.806D-04-0.332D-03-0.296D-03 0.119D-02 Coeff: 0.123D-02 0.314D-02 0.230D-02-0.146D-01-0.440D-01-0.539D-01 Coeff: 0.856D-01 0.151D+00 0.869D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.93D-08 MaxDP=5.80D-07 DE=-3.00D-11 OVMax= 5.33D-06 Cycle 16 Pass 1 IDiag 1: E= -1486.53488648842 Delta-E= 0.000000000001 Rises=F Damp=F DIIS: error= 6.83D-08 at cycle 16 NSaved= 16. NSaved=16 IEnMin=15 EnMin= -1486.53488648842 IErMin=15 ErrMin= 5.53D-08 ErrMax= 6.83D-08 EMaxC= 1.00D-01 BMatC= 3.34D-12 BMatP= 2.44D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.773D-06-0.992D-06 0.249D-04-0.191D-03-0.290D-03-0.693D-03 Coeff-Com: 0.477D-03 0.238D-02 0.288D-02 0.103D-02-0.172D-01-0.350D-01 Coeff-Com: -0.274D-01-0.402D-01 0.690D+00 0.424D+00 Coeff: -0.773D-06-0.992D-06 0.249D-04-0.191D-03-0.290D-03-0.693D-03 Coeff: 0.477D-03 0.238D-02 0.288D-02 0.103D-02-0.172D-01-0.350D-01 Coeff: -0.274D-01-0.402D-01 0.690D+00 0.424D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.14D-08 MaxDP=3.09D-07 DE= 1.36D-12 OVMax= 1.43D-06 Cycle 17 Pass 1 IDiag 1: E= -1486.53488648842 Delta-E= -0.000000000002 Rises=F Damp=F DIIS: error= 1.34D-08 at cycle 17 NSaved= 17. NSaved=17 IEnMin=17 EnMin= -1486.53488648842 IErMin=17 ErrMin= 1.34D-08 ErrMax= 1.34D-08 EMaxC= 1.00D-01 BMatC= 2.45D-13 BMatP= 2.44D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.884D-05 0.770D-06 0.457D-04-0.414D-04-0.133D-03-0.863D-03 Coeff-Com: 0.105D-04 0.552D-03 0.138D-02 0.422D-02 0.854D-03-0.642D-02 Coeff-Com: -0.322D-01-0.577D-01 0.136D+00 0.237D+00 0.718D+00 Coeff: 0.884D-05 0.770D-06 0.457D-04-0.414D-04-0.133D-03-0.863D-03 Coeff: 0.105D-04 0.552D-03 0.138D-02 0.422D-02 0.854D-03-0.642D-02 Coeff: -0.322D-01-0.577D-01 0.136D+00 0.237D+00 0.718D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.52D-09 MaxDP=1.40D-07 DE=-2.27D-12 OVMax= 8.17D-07 SCF Done: E(UB+HF-LYP) = -1486.53488649 A.U. after 17 cycles Convg = 0.6525D-08 -V/T = 2.4793 S**2 = 0.7545 KE= 1.004873826035D+03 PE=-6.997678023990D+03 EE= 2.822290587724D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7545, after 0.7500 Leave Link 502 at Sun Apr 13 00:11:48 2008, MaxMem= 1258291200 cpu: 179.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 172 NBasis= 172 NAE= 74 NBE= 73 NFC= 0 NFV= 0 NROrb= 172 NOA= 74 NOB= 73 NVA= 98 NVB= 99 **** Warning!!: The largest alpha MO coefficient is 0.12366596D+02 **** Warning!!: The smallest alpha delta epsilon is 0.61772652D-01 **** Warning!!: The largest beta MO coefficient is 0.12365307D+02 Leave Link 801 at Sun Apr 13 00:11:48 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 9. Will process 10 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Sun Apr 13 00:11:54 2008, MaxMem= 1258291200 cpu: 17.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 9. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sun Apr 13 00:11:54 2008, MaxMem= 1258291200 cpu: 1.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 9. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291126. G2DrvN: will do 10 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Sun Apr 13 00:13:05 2008, MaxMem= 1258291200 cpu: 279.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: UHF wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291126 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 303287223. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. CalDSu exits because no D1Ps are significant. There are 3 degrees of freedom in the 1st order CPHF. 3 vectors were produced by pass 0. AX will form 3 AO Fock derivatives at one time. 3 vectors were produced by pass 1. 3 vectors were produced by pass 2. 3 vectors were produced by pass 3. 3 vectors were produced by pass 4. 3 vectors were produced by pass 5. 3 vectors were produced by pass 6. 3 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. 3 vectors were produced by pass 11. 3 vectors were produced by pass 12. 3 vectors were produced by pass 13. 3 vectors were produced by pass 14. 3 vectors were produced by pass 15. 3 vectors were produced by pass 16. 3 vectors were produced by pass 17. 2 vectors were produced by pass 18. Inv2: IOpt= 1 Iter= 1 AM= 1.08D-15 Conv= 1.00D-12. Inverted reduced A of dimension 56 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.272836D+03 2 0.337169D+01 0.286900D+03 3 -0.954217D+00 0.152395D+01 0.271300D+03 Isotropic polarizability for W= 0.000000 277.01 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sun Apr 13 00:14:29 2008, MaxMem= 1258291200 cpu: 304.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.25794 -10.34061 -4.34267 -4.29850 -4.29826 Alpha occ. eigenvalues -- -4.29483 -4.28545 -4.28426 -4.28424 -2.85434 Alpha occ. eigenvalues -- -2.84674 -2.84600 -2.80738 -2.80651 -2.80592 Alpha occ. eigenvalues -- -2.80531 -2.80454 -2.80419 -2.80311 -2.80201 Alpha occ. eigenvalues -- -2.80075 -2.79484 -2.79360 -2.79357 -2.79168 Alpha occ. eigenvalues -- -2.79160 -2.79072 -2.79068 -2.79046 -2.79042 Alpha occ. eigenvalues -- -1.17329 -0.57591 -0.47620 -0.46976 -0.45907 Alpha occ. eigenvalues -- -0.35434 -0.33775 -0.33630 -0.32513 -0.32494 Alpha occ. eigenvalues -- -0.32234 -0.30918 -0.30627 -0.30586 -0.30497 Alpha occ. eigenvalues -- -0.29405 -0.29388 -0.28962 -0.28583 -0.28511 Alpha occ. eigenvalues -- -0.28357 -0.27738 -0.27699 -0.27134 -0.26973 Alpha occ. eigenvalues -- -0.26770 -0.26503 -0.26458 -0.26313 -0.26045 Alpha occ. eigenvalues -- -0.26039 -0.25919 -0.25793 -0.25771 -0.25689 Alpha occ. eigenvalues -- -0.25609 -0.25553 -0.25330 -0.25041 -0.25005 Alpha occ. eigenvalues -- -0.24520 -0.20678 -0.20404 -0.14399 Alpha virt. eigenvalues -- -0.08222 -0.07892 -0.07464 -0.07069 -0.07037 Alpha virt. eigenvalues -- -0.02615 -0.02264 -0.00711 -0.00120 0.00559 Alpha virt. eigenvalues -- 0.01401 0.02216 0.02836 0.03215 0.03615 Alpha virt. eigenvalues -- 0.03736 0.04266 0.04427 0.05279 0.05481 Alpha virt. eigenvalues -- 0.05833 0.05952 0.06267 0.07364 0.07543 Alpha virt. eigenvalues -- 0.08364 0.08430 0.08709 0.09259 0.09778 Alpha virt. eigenvalues -- 0.10072 0.10605 0.10787 0.12014 0.12410 Alpha virt. eigenvalues -- 0.19234 0.19257 0.20001 0.22217 0.23727 Alpha virt. eigenvalues -- 0.24528 0.25261 0.27058 0.27752 0.28043 Alpha virt. eigenvalues -- 0.30681 0.30996 0.34257 0.39992 0.41679 Alpha virt. eigenvalues -- 0.54666 0.63906 0.64921 0.65925 0.67418 Alpha virt. eigenvalues -- 0.67864 0.68119 0.69502 0.69984 0.71223 Alpha virt. eigenvalues -- 0.73986 0.77616 0.78824 0.82153 0.83015 Alpha virt. eigenvalues -- 0.84674 0.86254 0.87120 0.87161 0.89975 Alpha virt. eigenvalues -- 0.90432 0.92210 0.94196 0.98823 1.03134 Alpha virt. eigenvalues -- 1.03391 1.05019 1.06728 1.08516 1.16868 Alpha virt. eigenvalues -- 1.18201 1.22023 1.25198 1.28820 1.29325 Alpha virt. eigenvalues -- 1.29614 1.31574 1.31891 1.32281 1.35629 Alpha virt. eigenvalues -- 1.55947 1.68604 1.80523 1.84445 2.21713 Alpha virt. eigenvalues -- 2.24698 2.36520 10.22638 Beta occ. eigenvalues -- -19.25713 -10.33880 -4.34008 -4.29797 -4.29773 Beta occ. eigenvalues -- -4.29422 -4.28508 -4.28377 -4.28374 -2.85121 Beta occ. eigenvalues -- -2.84458 -2.84341 -2.80652 -2.80612 -2.80592 Beta occ. eigenvalues -- -2.80538 -2.80365 -2.80320 -2.80216 -2.80205 Beta occ. eigenvalues -- -2.79994 -2.79443 -2.79299 -2.79295 -2.79148 Beta occ. eigenvalues -- -2.79120 -2.79040 -2.79037 -2.78997 -2.78993 Beta occ. eigenvalues -- -1.17141 -0.57267 -0.47262 -0.46867 -0.45225 Beta occ. eigenvalues -- -0.34963 -0.33633 -0.33527 -0.32309 -0.32157 Beta occ. eigenvalues -- -0.31887 -0.30784 -0.30491 -0.30415 -0.30229 Beta occ. eigenvalues -- -0.29345 -0.29331 -0.28949 -0.28498 -0.28285 Beta occ. eigenvalues -- -0.28211 -0.27659 -0.27598 -0.26949 -0.26800 Beta occ. eigenvalues -- -0.26734 -0.26363 -0.26337 -0.26236 -0.25983 Beta occ. eigenvalues -- -0.25872 -0.25828 -0.25709 -0.25669 -0.25532 Beta occ. eigenvalues -- -0.25499 -0.25494 -0.25038 -0.24942 -0.24893 Beta occ. eigenvalues -- -0.24496 -0.20367 -0.20109 Beta virt. eigenvalues -- -0.09837 -0.07787 -0.07496 -0.06906 -0.06859 Beta virt. eigenvalues -- -0.06753 -0.02007 -0.01703 -0.00503 0.00000 Beta virt. eigenvalues -- 0.01095 0.01645 0.02271 0.02900 0.03391 Beta virt. eigenvalues -- 0.03804 0.03943 0.04333 0.04519 0.05421 Beta virt. eigenvalues -- 0.05627 0.05935 0.06144 0.06433 0.07448 Beta virt. eigenvalues -- 0.07639 0.08404 0.08438 0.08708 0.09508 Beta virt. eigenvalues -- 0.10089 0.10138 0.10667 0.10850 0.12413 Beta virt. eigenvalues -- 0.12762 0.19582 0.19742 0.20349 0.22352 Beta virt. eigenvalues -- 0.23956 0.24815 0.25536 0.27257 0.28041 Beta virt. eigenvalues -- 0.28282 0.30950 0.31152 0.34553 0.40096 Beta virt. eigenvalues -- 0.41928 0.54926 0.64321 0.65166 0.66208 Beta virt. eigenvalues -- 0.67571 0.68138 0.68356 0.69627 0.70193 Beta virt. eigenvalues -- 0.71436 0.74188 0.77758 0.78995 0.82432 Beta virt. eigenvalues -- 0.83260 0.84962 0.86422 0.87300 0.87428 Beta virt. eigenvalues -- 0.90340 0.90819 0.92543 0.94411 0.98998 Beta virt. eigenvalues -- 1.03382 1.03733 1.05351 1.07010 1.08845 Beta virt. eigenvalues -- 1.17061 1.18400 1.22339 1.25465 1.29082 Beta virt. eigenvalues -- 1.29555 1.29818 1.31758 1.32128 1.32456 Beta virt. eigenvalues -- 1.35981 1.56104 1.68789 1.80651 1.84602 Beta virt. eigenvalues -- 2.21868 2.25038 2.36683 10.22788 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.034985 -0.033880 -0.035150 -0.056018 0.061739 0.064927 2 Cu -0.033880 19.089327 -0.017727 -0.131090 -0.001699 -0.021913 3 Cu -0.035150 -0.017727 19.096174 -0.131541 0.076941 -0.021362 4 Cu -0.056018 -0.131090 -0.131541 19.246730 -0.082425 -0.119768 5 Cu 0.061739 -0.001699 0.076941 -0.082425 18.995561 -0.020737 6 Cu 0.064927 -0.021913 -0.021362 -0.119768 -0.020737 19.083010 7 Cu 0.061806 0.077056 -0.002866 -0.082055 0.066257 -0.019964 8 C 0.011094 0.006330 0.006247 0.128861 0.020312 0.004462 9 O -0.000864 -0.000792 -0.000918 0.041335 -0.012430 -0.003281 7 8 9 1 Cu 0.061806 0.011094 -0.000864 2 Cu 0.077056 0.006330 -0.000792 3 Cu -0.002866 0.006247 -0.000918 4 Cu -0.082055 0.128861 0.041335 5 Cu 0.066257 0.020312 -0.012430 6 Cu -0.019964 0.004462 -0.003281 7 Cu 19.000909 0.021393 -0.012751 8 C 0.021393 5.139091 0.549317 9 O -0.012751 0.549317 7.536518 Mulliken atomic charges: 1 1 Cu -0.108640 2 Cu 0.034387 3 Cu 0.030202 4 Cu 0.185970 5 Cu -0.103519 6 Cu 0.054625 7 Cu -0.109785 8 C 0.112894 9 O -0.096133 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.108640 2 Cu 0.034387 3 Cu 0.030202 4 Cu 0.185970 5 Cu -0.103519 6 Cu 0.054625 7 Cu -0.109785 8 C 0.112894 9 O -0.096133 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.085272 -0.025184 -0.025040 0.025743 0.005683 -0.006708 2 Cu -0.025184 0.120994 0.051570 -0.025636 -0.007829 0.057261 3 Cu -0.025040 0.051570 0.125656 -0.025624 0.000710 0.058652 4 Cu 0.025743 -0.025636 -0.025624 0.130556 0.015086 -0.025117 5 Cu 0.005683 -0.007829 0.000710 0.015086 0.077529 -0.014557 6 Cu -0.006708 0.057261 0.058652 -0.025117 -0.014557 0.172157 7 Cu 0.005716 0.000715 -0.007849 0.015032 0.010698 -0.014450 8 C -0.004138 -0.001301 -0.001507 -0.011023 -0.005132 -0.001745 9 O -0.000145 0.000046 0.000061 -0.000215 -0.000172 0.000080 7 8 9 1 Cu 0.005716 -0.004138 -0.000145 2 Cu 0.000715 -0.001301 0.000046 3 Cu -0.007849 -0.001507 0.000061 4 Cu 0.015032 -0.011023 -0.000215 5 Cu 0.010698 -0.005132 -0.000172 6 Cu -0.014450 -0.001745 0.000080 7 Cu 0.079224 -0.004692 -0.000293 8 C -0.004692 0.137245 -0.023484 9 O -0.000293 -0.023484 0.040938 Mulliken atomic spin densities: 1 1 Cu 0.061198 2 Cu 0.170635 3 Cu 0.176629 4 Cu 0.098803 5 Cu 0.082016 6 Cu 0.225575 7 Cu 0.084103 8 C 0.084223 9 O 0.016817 Sum of Mulliken spin densities= 1.00000 APT atomic charges: 1 1 Cu -0.059861 2 Cu -0.009743 3 Cu -0.015700 4 Cu -0.008630 5 Cu -0.020301 6 Cu -0.025994 7 Cu -0.027986 8 C 1.104649 9 O -0.936433 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.059861 2 Cu -0.009743 3 Cu -0.015700 4 Cu -0.008630 5 Cu -0.020301 6 Cu -0.025994 7 Cu -0.027986 8 C 1.104649 9 O -0.936433 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3206.4570 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2301 Y= -1.1898 Z= 0.2787 Tot= 1.2434 Quadrupole moment (field-independent basis, Debye-Ang): XX= -99.6821 YY= -102.8111 ZZ= -102.7216 XY= 2.2634 XZ= -2.3649 YZ= 4.6633 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.0562 YY= -1.0729 ZZ= -0.9833 XY= 2.2634 XZ= -2.3649 YZ= 4.6633 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -51.5683 YYY= 258.5932 ZZZ= -88.5146 XYY= -19.7122 XXY= 74.5931 XXZ= -26.1348 XZZ= -13.4247 YZZ= 84.0101 YYZ= -44.6476 XYZ= 9.3006 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1067.1934 YYYY= -1819.4409 ZZZZ= -1195.6371 XXXY= 77.0337 XXXZ= -45.6921 YYYX= 87.7937 YYYZ= 227.2982 ZZZX= -33.8883 ZZZY= 169.1619 XXYY= -443.1278 XXZZ= -361.6758 YYZZ= -507.8169 XXYZ= 52.2977 YYXZ= -46.9091 ZZXY= 37.2175 N-N= 1.683978723743D+03 E-N=-6.997678013314D+03 KE= 1.004873826035D+03 Exact polarizability: 272.836 3.372 286.900 -0.954 1.524 271.300 Approx polarizability: 600.043 12.295 625.334 -10.412 12.259 588.613 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00295 0.00105 0.00098 2 Cu(63) 0.00000 0.00279 0.00100 0.00093 3 Cu(63) 0.00000 0.00287 0.00102 0.00096 4 Cu(63) 0.00000 0.00067 0.00024 0.00022 5 Cu(63) 0.00000 0.00213 0.00076 0.00071 6 Cu(63) 0.00000 0.00394 0.00141 0.00132 7 Cu(63) 0.00000 0.00213 0.00076 0.00071 8 C(13) 0.09635 108.31566 38.64972 36.13021 9 O(17) 0.01241 -7.52480 -2.68504 -2.51000 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.011586 0.028785 -0.017199 2 Atom 0.120012 -0.060225 -0.059787 3 Atom -0.054379 -0.046196 0.100575 4 Atom -0.006779 -0.012296 0.019074 5 Atom -0.022084 -0.022881 0.044965 6 Atom -0.053351 0.103287 -0.049936 7 Atom 0.054989 -0.026841 -0.028148 8 Atom -0.021015 0.059226 -0.038212 9 Atom -0.029795 0.066995 -0.037200 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.012204 -0.002680 0.008704 2 Atom 0.005545 0.007158 -0.019949 3 Atom -0.028225 -0.045003 0.032365 4 Atom -0.007259 0.034410 -0.015945 5 Atom -0.008773 -0.022650 0.008662 6 Atom 0.053128 0.026373 0.038291 7 Atom -0.004368 0.002358 -0.006724 8 Atom 0.052312 0.007703 0.045738 9 Atom 0.086135 0.049131 0.076891 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0218 -3.090 -1.103 -1.031 0.5281 -0.2660 0.8064 1 Cu(63) Bbb -0.0115 -1.633 -0.583 -0.545 0.8113 -0.1222 -0.5717 Bcc 0.0334 4.723 1.685 1.576 0.2506 0.9562 0.1513 Baa -0.0804 -11.377 -4.060 -3.795 -0.0448 0.7093 0.7034 2 Cu(63) Bbb -0.0401 -5.672 -2.024 -1.892 -0.0073 -0.7044 0.7098 Bcc 0.1204 17.050 6.084 5.687 0.9990 0.0266 0.0367 Baa -0.0801 -11.336 -4.045 -3.781 0.8084 0.5805 0.0974 3 Cu(63) Bbb -0.0416 -5.890 -2.102 -1.965 -0.5204 0.7821 -0.3428 Bcc 0.1217 17.226 6.147 5.746 -0.2751 0.2264 0.9344 Baa -0.0313 -4.425 -1.579 -1.476 0.7770 -0.2035 -0.5957 4 Cu(63) Bbb -0.0166 -2.350 -0.839 -0.784 0.3264 0.9394 0.1050 Bcc 0.0479 6.776 2.418 2.260 0.5382 -0.2760 0.7963 Baa -0.0330 -4.667 -1.665 -1.557 0.8119 0.5572 0.1741 5 Cu(63) Bbb -0.0205 -2.901 -1.035 -0.968 -0.5011 0.8183 -0.2817 Bcc 0.0535 7.568 2.700 2.524 -0.2994 0.1415 0.9436 Baa -0.0796 -11.263 -4.019 -3.757 0.8114 -0.1158 -0.5728 6 Cu(63) Bbb -0.0510 -7.222 -2.577 -2.409 0.5010 -0.3670 0.7838 Bcc 0.1306 18.485 6.596 6.166 0.3010 0.9230 0.2398 Baa -0.0343 -4.851 -1.731 -1.618 0.0136 0.6755 0.7372 7 Cu(63) Bbb -0.0210 -2.979 -1.063 -0.994 0.0632 0.7352 -0.6749 Bcc 0.0553 7.831 2.794 2.612 0.9979 -0.0557 0.0327 Baa -0.0627 -8.418 -3.004 -2.808 0.4618 -0.4782 0.7470 8 C(13) Bbb -0.0368 -4.933 -1.760 -1.646 0.7941 -0.1524 -0.5884 Bcc 0.0995 13.351 4.764 4.453 0.3952 0.8649 0.3094 Baa -0.0831 6.012 2.145 2.005 0.7842 -0.1405 -0.6043 9 O(17) Bbb -0.0766 5.540 1.977 1.848 0.4123 -0.6099 0.6768 Bcc 0.1596 -11.552 -4.122 -3.853 0.4637 0.7799 0.4204 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sun Apr 13 00:14:30 2008, MaxMem= 1258291200 cpu: 2.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 9.05093939D-02-4.68090420D-01 1.09639186D-01 Polarizability= 2.72836061D+02 3.37168980D+00 2.86900347D+02 -9.54217164D-01 1.52394836D+00 2.71300426D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000098406 -0.000066071 -0.000127030 2 29 -0.000172315 0.000078624 -0.000004078 3 29 0.000088222 0.000059879 -0.000159066 4 29 -0.000020427 0.000077373 0.000016951 5 29 0.000085952 0.000043829 -0.000132467 6 29 0.000167291 0.000221834 0.000178270 7 29 -0.000147448 0.000084251 0.000037920 8 6 0.000348970 -0.004207925 0.001438829 9 8 -0.000251839 0.003708205 -0.001249330 ------------------------------------------------------------------- Cartesian Forces: Max 0.004207925 RMS 0.001147448 Leave Link 716 at Sun Apr 13 00:14:31 2008, MaxMem= 1258291200 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=2 IStep= 1. Leave Link 106 at Sun Apr 13 00:14:31 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0000 -0.0019 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1684.3977170244 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sun Apr 13 00:14:31 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 554 NPtTot= 95048 NUsed= 98963 NTot= 98995 NSgBfM= 186 186 186 186. Leave Link 302 at Sun Apr 13 00:14:34 2008, MaxMem= 1258291200 cpu: 7.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 1684.8167103062 hartrees. Leave Link 303 at Sun Apr 13 00:14:35 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. of initial guess= 0.7549 Leave Link 401 at Sun Apr 13 00:14:35 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 98962 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306792921. IEnd= 239127 IEndB= 239127 NGot=1258291200 MDV= 955639210 LenX= 955639210 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1486.53464558467 DIIS: error= 1.17D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1486.53464558467 IErMin= 1 ErrMin= 1.17D-03 ErrMax= 1.17D-03 EMaxC= 1.00D-01 BMatC= 3.75D-04 BMatP= 3.75D-04 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.17D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.056 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 GapD= 0.056 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.81D-04 MaxDP=6.76D-03 OVMax= 6.00D-02 Cycle 2 Pass 1 IDiag 1: E= -1486.53472920446 Delta-E= -0.000083619790 Rises=F Damp=T DIIS: error= 4.59D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1486.53472920446 IErMin= 2 ErrMin= 4.59D-04 ErrMax= 4.59D-04 EMaxC= 1.00D-01 BMatC= 3.50D-04 BMatP= 3.75D-04 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.59D-03 Coeff-Com: 0.488D+00 0.512D+00 Coeff-En: 0.412D+00 0.588D+00 Coeff: 0.487D+00 0.513D+00 Gap= 0.058 Goal= None Shift= 0.000 Gap= 0.105 Goal= None Shift= 0.000 RMSDP=1.98D-04 MaxDP=2.80D-03 DE=-8.36D-05 OVMax= 2.40D-02 Cycle 3 Pass 1 IDiag 1: E= -1486.53507594530 Delta-E= -0.000346740835 Rises=F Damp=F DIIS: error= 4.77D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1486.53507594530 IErMin= 2 ErrMin= 4.59D-04 ErrMax= 4.77D-04 EMaxC= 1.00D-01 BMatC= 1.75D-04 BMatP= 3.50D-04 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.77D-03 Coeff-Com: 0.312D+00 0.260D+00 0.428D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.310D+00 0.259D+00 0.431D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=7.13D-05 MaxDP=1.31D-03 DE=-3.47D-04 OVMax= 4.61D-03 Cycle 4 Pass 1 IDiag 1: E= -1486.53514138181 Delta-E= -0.000065436511 Rises=F Damp=F DIIS: error= 1.37D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1486.53514138181 IErMin= 4 ErrMin= 1.37D-04 ErrMax= 1.37D-04 EMaxC= 1.00D-01 BMatC= 2.54D-05 BMatP= 1.75D-04 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.37D-03 Coeff-Com: 0.140D+00-0.495D-02 0.227D+00 0.639D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.139D+00-0.494D-02 0.226D+00 0.639D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.53D-05 MaxDP=5.08D-04 DE=-6.54D-05 OVMax= 2.41D-03 Cycle 5 Pass 1 IDiag 1: E= -1486.53514537893 Delta-E= -0.000003997127 Rises=F Damp=F DIIS: error= 1.26D-04 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1486.53514537893 IErMin= 5 ErrMin= 1.26D-04 ErrMax= 1.26D-04 EMaxC= 1.00D-01 BMatC= 2.01D-05 BMatP= 2.54D-05 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.26D-03 Coeff-Com: 0.744D-01-0.453D-01 0.108D+00 0.524D+00 0.339D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.289D+00 0.711D+00 Coeff: 0.743D-01-0.453D-01 0.108D+00 0.524D+00 0.339D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.70D-05 MaxDP=3.70D-04 DE=-4.00D-06 OVMax= 9.72D-04 Cycle 6 Pass 1 IDiag 1: E= -1486.53514932341 Delta-E= -0.000003944474 Rises=F Damp=F DIIS: error= 4.49D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1486.53514932341 IErMin= 6 ErrMin= 4.49D-05 ErrMax= 4.49D-05 EMaxC= 1.00D-01 BMatC= 1.83D-06 BMatP= 2.01D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.189D-01-0.425D-01 0.105D-02 0.229D+00 0.234D+00 0.560D+00 Coeff: 0.189D-01-0.425D-01 0.105D-02 0.229D+00 0.234D+00 0.560D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=9.59D-06 MaxDP=1.57D-04 DE=-3.94D-06 OVMax= 1.08D-03 Cycle 7 Pass 1 IDiag 1: E= -1486.53514998269 Delta-E= -0.000000659282 Rises=F Damp=F DIIS: error= 2.33D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1486.53514998269 IErMin= 7 ErrMin= 2.33D-05 ErrMax= 2.33D-05 EMaxC= 1.00D-01 BMatC= 6.11D-07 BMatP= 1.83D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.329D-03-0.176D-01-0.235D-01 0.231D-01 0.468D-01 0.428D+00 Coeff-Com: 0.543D+00 Coeff: 0.329D-03-0.176D-01-0.235D-01 0.231D-01 0.468D-01 0.428D+00 Coeff: 0.543D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=7.06D-06 MaxDP=1.05D-04 DE=-6.59D-07 OVMax= 9.38D-04 Cycle 8 Pass 1 IDiag 1: E= -1486.53515030836 Delta-E= -0.000000325665 Rises=F Damp=F DIIS: error= 1.29D-05 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1486.53515030836 IErMin= 8 ErrMin= 1.29D-05 ErrMax= 1.29D-05 EMaxC= 1.00D-01 BMatC= 1.67D-07 BMatP= 6.11D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.176D-02-0.593D-02-0.137D-01-0.300D-01-0.391D-01 0.141D+00 Coeff-Com: 0.380D+00 0.569D+00 Coeff: -0.176D-02-0.593D-02-0.137D-01-0.300D-01-0.391D-01 0.141D+00 Coeff: 0.380D+00 0.569D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.50D-06 MaxDP=9.27D-05 DE=-3.26D-07 OVMax= 7.01D-04 Cycle 9 Pass 1 IDiag 1: E= -1486.53515040282 Delta-E= -0.000000094465 Rises=F Damp=F DIIS: error= 8.09D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1486.53515040282 IErMin= 9 ErrMin= 8.09D-06 ErrMax= 8.09D-06 EMaxC= 1.00D-01 BMatC= 6.44D-08 BMatP= 1.67D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.432D-03 0.813D-03 0.220D-02-0.349D-01-0.641D-01-0.123D+00 Coeff-Com: 0.687D-01 0.458D+00 0.693D+00 Coeff: -0.432D-03 0.813D-03 0.220D-02-0.349D-01-0.641D-01-0.123D+00 Coeff: 0.687D-01 0.458D+00 0.693D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.86D-06 MaxDP=6.23D-05 DE=-9.45D-08 OVMax= 5.70D-04 Cycle 10 Pass 1 IDiag 1: E= -1486.53515046128 Delta-E= -0.000000058463 Rises=F Damp=F DIIS: error= 3.94D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1486.53515046128 IErMin=10 ErrMin= 3.94D-06 ErrMax= 3.94D-06 EMaxC= 1.00D-01 BMatC= 1.17D-08 BMatP= 6.44D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.967D-03 0.487D-03 0.630D-02-0.102D-01-0.266D-01-0.128D+00 Coeff-Com: -0.298D-01 0.141D+00 0.353D+00 0.692D+00 Coeff: 0.967D-03 0.487D-03 0.630D-02-0.102D-01-0.266D-01-0.128D+00 Coeff: -0.298D-01 0.141D+00 0.353D+00 0.692D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.64D-06 MaxDP=3.13D-05 DE=-5.85D-08 OVMax= 2.45D-04 Cycle 11 Pass 1 IDiag 1: E= -1486.53515047017 Delta-E= -0.000000008889 Rises=F Damp=F DIIS: error= 1.15D-06 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1486.53515047017 IErMin=11 ErrMin= 1.15D-06 ErrMax= 1.15D-06 EMaxC= 1.00D-01 BMatC= 2.11D-09 BMatP= 1.17D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.679D-03-0.496D-04 0.343D-02-0.676D-04-0.512D-02-0.592D-01 Coeff-Com: -0.245D-01 0.161D-01 0.694D-01 0.431D+00 0.568D+00 Coeff: 0.679D-03-0.496D-04 0.343D-02-0.676D-04-0.512D-02-0.592D-01 Coeff: -0.245D-01 0.161D-01 0.694D-01 0.431D+00 0.568D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=5.29D-07 MaxDP=9.12D-06 DE=-8.89D-09 OVMax= 6.56D-05 Cycle 12 Pass 1 IDiag 1: E= -1486.53515047135 Delta-E= -0.000000001173 Rises=F Damp=F DIIS: error= 1.07D-06 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1486.53515047135 IErMin=12 ErrMin= 1.07D-06 ErrMax= 1.07D-06 EMaxC= 1.00D-01 BMatC= 9.71D-10 BMatP= 2.11D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.334D-03-0.323D-03 0.548D-03 0.498D-02 0.567D-02 0.343D-02 Coeff-Com: -0.532D-02-0.292D-01-0.920D-01 0.435D-01 0.485D+00 0.583D+00 Coeff: 0.334D-03-0.323D-03 0.548D-03 0.498D-02 0.567D-02 0.343D-02 Coeff: -0.532D-02-0.292D-01-0.920D-01 0.435D-01 0.485D+00 0.583D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.09D-07 MaxDP=5.09D-06 DE=-1.17D-09 OVMax= 4.94D-05 Cycle 13 Pass 1 IDiag 1: E= -1486.53515047186 Delta-E= -0.000000000518 Rises=F Damp=F DIIS: error= 2.80D-07 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1486.53515047186 IErMin=13 ErrMin= 2.80D-07 ErrMax= 2.80D-07 EMaxC= 1.00D-01 BMatC= 5.19D-11 BMatP= 9.71D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.431D-04-0.164D-03-0.556D-03 0.157D-02 0.246D-02 0.133D-01 Coeff-Com: 0.431D-02-0.117D-01-0.438D-01-0.784D-01 0.697D-01 0.152D+00 Coeff-Com: 0.891D+00 Coeff: -0.431D-04-0.164D-03-0.556D-03 0.157D-02 0.246D-02 0.133D-01 Coeff: 0.431D-02-0.117D-01-0.438D-01-0.784D-01 0.697D-01 0.152D+00 Coeff: 0.891D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.78D-07 MaxDP=3.49D-06 DE=-5.18D-10 OVMax= 3.19D-05 Cycle 14 Pass 1 IDiag 1: E= -1486.53515047196 Delta-E= -0.000000000097 Rises=F Damp=F DIIS: error= 2.65D-07 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1486.53515047196 IErMin=14 ErrMin= 2.65D-07 ErrMax= 2.65D-07 EMaxC= 1.00D-01 BMatC= 8.97D-11 BMatP= 5.19D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.122D-03-0.708D-04-0.605D-03 0.252D-03 0.848D-03 0.107D-01 Coeff-Com: 0.384D-02-0.306D-02-0.165D-01-0.841D-01-0.524D-01 0.651D-02 Coeff-Com: 0.739D+00 0.396D+00 Coeff: -0.122D-03-0.708D-04-0.605D-03 0.252D-03 0.848D-03 0.107D-01 Coeff: 0.384D-02-0.306D-02-0.165D-01-0.841D-01-0.524D-01 0.651D-02 Coeff: 0.739D+00 0.396D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=7.75D-08 MaxDP=1.47D-06 DE=-9.69D-11 OVMax= 1.05D-05 Cycle 15 Pass 1 IDiag 1: E= -1486.53515047200 Delta-E= -0.000000000037 Rises=F Damp=F DIIS: error= 6.07D-08 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1486.53515047200 IErMin=15 ErrMin= 6.07D-08 ErrMax= 6.07D-08 EMaxC= 1.00D-01 BMatC= 5.87D-12 BMatP= 5.19D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.251D-04-0.110D-05-0.641D-04-0.395D-03-0.475D-03 0.493D-03 Coeff-Com: 0.991D-03 0.408D-02 0.515D-02-0.108D-01-0.572D-01-0.397D-01 Coeff-Com: 0.686D-01 0.176D+00 0.854D+00 Coeff: -0.251D-04-0.110D-05-0.641D-04-0.395D-03-0.475D-03 0.493D-03 Coeff: 0.991D-03 0.408D-02 0.515D-02-0.108D-01-0.572D-01-0.397D-01 Coeff: 0.686D-01 0.176D+00 0.854D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.15D-08 MaxDP=7.78D-07 DE=-3.68D-11 OVMax= 7.19D-06 Cycle 16 Pass 1 IDiag 1: E= -1486.53515047200 Delta-E= -0.000000000001 Rises=F Damp=F DIIS: error= 6.12D-08 at cycle 16 NSaved= 16. NSaved=16 IEnMin=16 EnMin= -1486.53515047200 IErMin=15 ErrMin= 6.07D-08 ErrMax= 6.12D-08 EMaxC= 1.00D-01 BMatC= 3.32D-12 BMatP= 5.87D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.753D-06-0.457D-05 0.290D-04-0.221D-03-0.287D-03-0.863D-03 Coeff-Com: 0.153D-03 0.275D-02 0.384D-02 0.228D-02-0.271D-01-0.174D-01 Coeff-Com: -0.592D-01 0.565D-01 0.614D+00 0.426D+00 Coeff: 0.753D-06-0.457D-05 0.290D-04-0.221D-03-0.287D-03-0.863D-03 Coeff: 0.153D-03 0.275D-02 0.384D-02 0.228D-02-0.271D-01-0.174D-01 Coeff: -0.592D-01 0.565D-01 0.614D+00 0.426D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.22D-08 MaxDP=3.07D-07 DE=-1.36D-12 OVMax= 1.40D-06 Cycle 17 Pass 1 IDiag 1: E= -1486.53515047201 Delta-E= -0.000000000009 Rises=F Damp=F DIIS: error= 2.01D-08 at cycle 17 NSaved= 17. NSaved=17 IEnMin=17 EnMin= -1486.53515047201 IErMin=17 ErrMin= 2.01D-08 ErrMax= 2.01D-08 EMaxC= 1.00D-01 BMatC= 5.44D-13 BMatP= 3.32D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.126D-04-0.999D-06 0.602D-04-0.579D-04-0.102D-03-0.108D-02 Coeff-Com: -0.225D-03 0.707D-03 0.166D-02 0.601D-02-0.876D-03-0.109D-02 Coeff-Com: -0.610D-01-0.243D-01 0.128D+00 0.316D+00 0.637D+00 Coeff: 0.126D-04-0.999D-06 0.602D-04-0.579D-04-0.102D-03-0.108D-02 Coeff: -0.225D-03 0.707D-03 0.166D-02 0.601D-02-0.876D-03-0.109D-02 Coeff: -0.610D-01-0.243D-01 0.128D+00 0.316D+00 0.637D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=7.92D-09 MaxDP=1.77D-07 DE=-8.64D-12 OVMax= 9.38D-07 SCF Done: E(UB+HF-LYP) = -1486.53515047 A.U. after 17 cycles Convg = 0.7918D-08 -V/T = 2.4793 S**2 = 0.7553 KE= 1.004902464137D+03 PE=-6.998545211849D+03 EE= 2.822290886934D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7553, after 0.7500 Leave Link 502 at Sun Apr 13 00:15:30 2008, MaxMem= 1258291200 cpu: 178.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 172 NBasis= 172 NAE= 74 NBE= 73 NFC= 0 NFV= 0 NROrb= 172 NOA= 74 NOB= 73 NVA= 98 NVB= 99 **** Warning!!: The largest alpha MO coefficient is 0.12366847D+02 **** Warning!!: The smallest alpha delta epsilon is 0.58689757D-01 **** Warning!!: The largest beta MO coefficient is 0.12365579D+02 Leave Link 801 at Sun Apr 13 00:15:30 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 9. Will process 10 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Sun Apr 13 00:15:38 2008, MaxMem= 1258291200 cpu: 17.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 9. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sun Apr 13 00:15:39 2008, MaxMem= 1258291200 cpu: 0.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 9. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291126. G2DrvN: will do 10 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Sun Apr 13 00:17:00 2008, MaxMem= 1258291200 cpu: 286.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: UHF wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291126 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 303287223. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. CalDSu exits because no D1Ps are significant. There are 3 degrees of freedom in the 1st order CPHF. 3 vectors were produced by pass 0. AX will form 3 AO Fock derivatives at one time. 3 vectors were produced by pass 1. 3 vectors were produced by pass 2. 3 vectors were produced by pass 3. 3 vectors were produced by pass 4. 3 vectors were produced by pass 5. 3 vectors were produced by pass 6. 3 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. 3 vectors were produced by pass 11. 3 vectors were produced by pass 12. 3 vectors were produced by pass 13. 3 vectors were produced by pass 14. 3 vectors were produced by pass 15. 3 vectors were produced by pass 16. 3 vectors were produced by pass 17. 2 vectors were produced by pass 18. Inv2: IOpt= 1 Iter= 1 AM= 1.24D-15 Conv= 1.00D-12. Inverted reduced A of dimension 56 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.272447D+03 2 0.157803D+01 0.281467D+03 3 -0.300440D+01 0.930744D+00 0.270767D+03 Isotropic polarizability for W= 0.000000 274.89 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sun Apr 13 00:18:29 2008, MaxMem= 1258291200 cpu: 316.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26498 -10.34811 -4.34900 -4.30376 -4.30348 Alpha occ. eigenvalues -- -4.29983 -4.29021 -4.28978 -4.28969 -2.86074 Alpha occ. eigenvalues -- -2.85306 -2.85221 -2.81260 -2.81173 -2.81122 Alpha occ. eigenvalues -- -2.81059 -2.80988 -2.80953 -2.80813 -2.80698 Alpha occ. eigenvalues -- -2.80564 -2.79958 -2.79913 -2.79903 -2.79652 Alpha occ. eigenvalues -- -2.79645 -2.79616 -2.79608 -2.79593 -2.79584 Alpha occ. eigenvalues -- -1.18189 -0.58624 -0.48592 -0.47940 -0.46750 Alpha occ. eigenvalues -- -0.35969 -0.34366 -0.34224 -0.33122 -0.33105 Alpha occ. eigenvalues -- -0.32818 -0.31447 -0.31155 -0.31127 -0.31038 Alpha occ. eigenvalues -- -0.29937 -0.29924 -0.29497 -0.29116 -0.29043 Alpha occ. eigenvalues -- -0.28883 -0.28282 -0.28231 -0.27662 -0.27472 Alpha occ. eigenvalues -- -0.27286 -0.27037 -0.26977 -0.26830 -0.26562 Alpha occ. eigenvalues -- -0.26554 -0.26444 -0.26308 -0.26301 -0.26207 Alpha occ. eigenvalues -- -0.26152 -0.26069 -0.25866 -0.25557 -0.25536 Alpha occ. eigenvalues -- -0.25053 -0.21155 -0.20979 -0.14874 Alpha virt. eigenvalues -- -0.09005 -0.08575 -0.07806 -0.07634 -0.07558 Alpha virt. eigenvalues -- -0.03269 -0.02962 -0.00894 -0.00621 -0.00326 Alpha virt. eigenvalues -- 0.01521 0.01688 0.02670 0.02857 0.03205 Alpha virt. eigenvalues -- 0.03226 0.04011 0.04190 0.04323 0.04503 Alpha virt. eigenvalues -- 0.04751 0.06121 0.06232 0.06878 0.06935 Alpha virt. eigenvalues -- 0.08058 0.08069 0.08373 0.08817 0.09674 Alpha virt. eigenvalues -- 0.09737 0.10227 0.10396 0.11659 0.11982 Alpha virt. eigenvalues -- 0.18585 0.18948 0.19439 0.21112 0.23171 Alpha virt. eigenvalues -- 0.24121 0.24583 0.26520 0.27098 0.27665 Alpha virt. eigenvalues -- 0.30287 0.30816 0.33761 0.39108 0.40652 Alpha virt. eigenvalues -- 0.53432 0.63303 0.64327 0.65311 0.66733 Alpha virt. eigenvalues -- 0.66938 0.67471 0.68588 0.69523 0.70835 Alpha virt. eigenvalues -- 0.72998 0.76674 0.78293 0.81531 0.82350 Alpha virt. eigenvalues -- 0.84105 0.85736 0.86626 0.86684 0.89377 Alpha virt. eigenvalues -- 0.89885 0.91695 0.93588 0.98228 1.02630 Alpha virt. eigenvalues -- 1.02862 1.04517 1.06192 1.07962 1.16449 Alpha virt. eigenvalues -- 1.17610 1.21493 1.24671 1.28304 1.28788 Alpha virt. eigenvalues -- 1.29192 1.31059 1.31390 1.31716 1.35067 Alpha virt. eigenvalues -- 1.55348 1.67779 1.80111 1.83920 2.21036 Alpha virt. eigenvalues -- 2.24319 2.36270 10.21800 Beta occ. eigenvalues -- -19.26392 -10.34604 -4.34649 -4.30322 -4.30293 Beta occ. eigenvalues -- -4.29921 -4.28989 -4.28930 -4.28921 -2.85776 Beta occ. eigenvalues -- -2.85100 -2.84962 -2.81174 -2.81137 -2.81110 Beta occ. eigenvalues -- -2.81061 -2.80899 -2.80853 -2.80713 -2.80706 Beta occ. eigenvalues -- -2.80492 -2.79928 -2.79855 -2.79844 -2.79630 Beta occ. eigenvalues -- -2.79612 -2.79588 -2.79580 -2.79541 -2.79533 Beta occ. eigenvalues -- -1.17951 -0.58242 -0.48128 -0.47803 -0.45976 Beta occ. eigenvalues -- -0.35509 -0.34211 -0.34133 -0.32919 -0.32767 Beta occ. eigenvalues -- -0.32484 -0.31312 -0.31029 -0.30958 -0.30764 Beta occ. eigenvalues -- -0.29881 -0.29862 -0.29481 -0.29024 -0.28806 Beta occ. eigenvalues -- -0.28754 -0.28205 -0.28128 -0.27489 -0.27317 Beta occ. eigenvalues -- -0.27250 -0.26899 -0.26871 -0.26753 -0.26507 Beta occ. eigenvalues -- -0.26399 -0.26342 -0.26231 -0.26211 -0.26058 Beta occ. eigenvalues -- -0.26024 -0.26005 -0.25584 -0.25462 -0.25422 Beta occ. eigenvalues -- -0.25024 -0.20840 -0.20673 Beta virt. eigenvalues -- -0.10324 -0.08390 -0.08198 -0.07416 -0.07261 Beta virt. eigenvalues -- -0.07233 -0.02689 -0.02439 -0.00660 -0.00446 Beta virt. eigenvalues -- 0.00132 0.01678 0.01751 0.02875 0.03132 Beta virt. eigenvalues -- 0.03381 0.03398 0.04122 0.04280 0.04458 Beta virt. eigenvalues -- 0.04616 0.04861 0.06242 0.06352 0.06997 Beta virt. eigenvalues -- 0.07029 0.08086 0.08105 0.08383 0.09078 Beta virt. eigenvalues -- 0.09693 0.10136 0.10233 0.10443 0.12020 Beta virt. eigenvalues -- 0.12330 0.18965 0.19424 0.19742 0.21241 Beta virt. eigenvalues -- 0.23388 0.24398 0.24889 0.26715 0.27394 Beta virt. eigenvalues -- 0.27900 0.30572 0.30959 0.34039 0.39217 Beta virt. eigenvalues -- 0.40965 0.53704 0.63712 0.64588 0.65609 Beta virt. eigenvalues -- 0.66878 0.67192 0.67702 0.68750 0.69724 Beta virt. eigenvalues -- 0.71046 0.73236 0.76823 0.78458 0.81821 Beta virt. eigenvalues -- 0.82599 0.84393 0.85911 0.86815 0.86939 Beta virt. eigenvalues -- 0.89749 0.90283 0.92013 0.93813 0.98411 Beta virt. eigenvalues -- 1.02866 1.03201 1.04830 1.06469 1.08294 Beta virt. eigenvalues -- 1.16634 1.17811 1.21822 1.24914 1.28568 Beta virt. eigenvalues -- 1.29020 1.29389 1.31253 1.31635 1.31877 Beta virt. eigenvalues -- 1.35396 1.55509 1.67972 1.80230 1.84092 Beta virt. eigenvalues -- 2.21197 2.24642 2.36427 10.21952 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.003402 -0.030124 -0.029928 -0.057232 0.060412 0.060126 2 Cu -0.030124 19.052639 -0.024641 -0.131729 0.006208 -0.020557 3 Cu -0.029928 -0.024641 19.048578 -0.131436 0.076841 -0.021478 4 Cu -0.057232 -0.131729 -0.131436 19.252169 -0.091096 -0.124290 5 Cu 0.060412 0.006208 0.076841 -0.091096 19.033032 -0.019502 6 Cu 0.060126 -0.020557 -0.021478 -0.124290 -0.019502 19.101850 7 Cu 0.059998 0.076510 0.005632 -0.089983 0.071249 -0.019354 8 C 0.010198 0.007474 0.007513 0.134436 0.020564 0.004569 9 O -0.000771 -0.001037 -0.001154 0.042687 -0.013235 -0.003631 7 8 9 1 Cu 0.059998 0.010198 -0.000771 2 Cu 0.076510 0.007474 -0.001037 3 Cu 0.005632 0.007513 -0.001154 4 Cu -0.089983 0.134436 0.042687 5 Cu 0.071249 0.020564 -0.013235 6 Cu -0.019354 0.004569 -0.003631 7 Cu 19.025642 0.021781 -0.013525 8 C 0.021781 5.145180 0.542409 9 O -0.013525 0.542409 7.569701 Mulliken atomic charges: 1 1 Cu -0.076082 2 Cu 0.065258 3 Cu 0.070072 4 Cu 0.196475 5 Cu -0.144474 6 Cu 0.042266 7 Cu -0.137948 8 C 0.105876 9 O -0.121444 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.076082 2 Cu 0.065258 3 Cu 0.070072 4 Cu 0.196475 5 Cu -0.144474 6 Cu 0.042266 7 Cu -0.137948 8 C 0.105876 9 O -0.121444 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.085068 -0.026174 -0.026178 0.029355 0.006016 -0.007961 2 Cu -0.026174 0.104892 0.043665 -0.027160 -0.006498 0.055255 3 Cu -0.026178 0.043665 0.105457 -0.027348 0.001281 0.055411 4 Cu 0.029355 -0.027160 -0.027348 0.126366 0.012318 -0.026616 5 Cu 0.006016 -0.006498 0.001281 0.012318 0.091086 -0.012168 6 Cu -0.007961 0.055255 0.055411 -0.026616 -0.012168 0.186613 7 Cu 0.006086 0.001223 -0.007242 0.013022 0.012723 -0.012387 8 C -0.004602 0.000023 0.000095 -0.011517 -0.004991 -0.002012 9 O -0.000122 -0.000097 -0.000102 -0.000042 -0.000424 0.000103 7 8 9 1 Cu 0.006086 -0.004602 -0.000122 2 Cu 0.001223 0.000023 -0.000097 3 Cu -0.007242 0.000095 -0.000102 4 Cu 0.013022 -0.011517 -0.000042 5 Cu 0.012723 -0.004991 -0.000424 6 Cu -0.012387 -0.002012 0.000103 7 Cu 0.089014 -0.004385 -0.000562 8 C -0.004385 0.162063 -0.031048 9 O -0.000562 -0.031048 0.055558 Mulliken atomic spin densities: 1 1 Cu 0.061488 2 Cu 0.145129 3 Cu 0.145039 4 Cu 0.088378 5 Cu 0.099343 6 Cu 0.236238 7 Cu 0.097493 8 C 0.103627 9 O 0.023265 Sum of Mulliken spin densities= 1.00000 APT atomic charges: 1 1 Cu -0.006139 2 Cu 0.012398 3 Cu 0.015034 4 Cu 0.004269 5 Cu -0.052792 6 Cu -0.048386 7 Cu -0.045228 8 C 1.138092 9 O -1.017248 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.006139 2 Cu 0.012398 3 Cu 0.015034 4 Cu 0.004269 5 Cu -0.052792 6 Cu -0.048386 7 Cu -0.045228 8 C 1.138092 9 O -1.017248 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3209.7189 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2541 Y= 1.5362 Z= 0.2899 Tot= 1.5838 Quadrupole moment (field-independent basis, Debye-Ang): XX= -99.8912 YY= -106.3964 ZZ= -103.3145 XY= 3.2792 XZ= -2.1105 YZ= 5.9281 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 3.3095 YY= -3.1957 ZZ= -0.1138 XY= 3.2792 XZ= -2.1105 YZ= 5.9281 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -50.2902 YYY= 285.7913 ZZZ= -88.6002 XYY= -22.1252 XXY= 83.6187 XXZ= -25.6690 XZZ= -13.4671 YZZ= 94.7566 YYZ= -47.3522 XYZ= 10.0698 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1069.6233 YYYY= -1883.7159 ZZZZ= -1200.8322 XXXY= 79.4409 XXXZ= -41.3598 YYYX= 103.6428 YYYZ= 246.5104 ZZZX= -33.0186 ZZZY= 179.5606 XXYY= -455.5640 XXZZ= -363.6868 YYZZ= -527.7692 XXYZ= 55.9947 YYXZ= -47.1827 ZZXY= 44.8688 N-N= 1.684816710306D+03 E-N=-6.998545224961D+03 KE= 1.004902464137D+03 Exact polarizability: 272.447 1.578 281.467 -3.004 0.931 270.767 Approx polarizability: 601.619 2.201 623.249 -7.063 -0.773 598.526 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00326 0.00116 0.00109 2 Cu(63) 0.00000 0.00261 0.00093 0.00087 3 Cu(63) 0.00000 0.00264 0.00094 0.00088 4 Cu(63) 0.00000 0.00069 0.00025 0.00023 5 Cu(63) 0.00000 0.00210 0.00075 0.00070 6 Cu(63) 0.00000 0.00424 0.00151 0.00141 7 Cu(63) 0.00000 0.00209 0.00075 0.00070 8 C(13) 0.09789 110.05106 39.26895 36.70908 9 O(17) 0.01466 -8.88682 -3.17104 -2.96432 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.006997 0.022474 -0.015477 2 Atom 0.117233 -0.058952 -0.058282 3 Atom -0.055784 -0.042464 0.098248 4 Atom -0.006135 -0.018006 0.024141 5 Atom -0.023250 -0.024190 0.047441 6 Atom -0.050066 0.101084 -0.051018 7 Atom 0.054889 -0.027059 -0.027830 8 Atom -0.022616 0.062942 -0.040325 9 Atom -0.030900 0.064498 -0.033598 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.009296 -0.007456 0.007523 2 Atom 0.011894 0.010257 -0.020044 3 Atom -0.029985 -0.040498 0.035744 4 Atom -0.006166 0.040197 -0.013048 5 Atom -0.008441 -0.022194 0.006715 6 Atom 0.055580 0.022904 0.041112 7 Atom -0.006494 0.004048 -0.007196 8 Atom 0.066058 0.016802 0.061782 9 Atom 0.105804 0.069644 0.101268 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0226 -3.205 -1.144 -1.069 0.5319 -0.2448 0.8107 1 Cu(63) Bbb -0.0032 -0.454 -0.162 -0.151 0.8114 -0.1266 -0.5706 Bcc 0.0258 3.659 1.306 1.221 0.2423 0.9613 0.1313 Baa -0.0799 -11.314 -4.037 -3.774 -0.0793 0.7121 0.6976 2 Cu(63) Bbb -0.0386 -5.462 -1.949 -1.822 0.0063 -0.6994 0.7147 Bcc 0.1185 16.775 5.986 5.596 0.9968 0.0611 0.0509 Baa -0.0805 -11.394 -4.066 -3.801 0.8138 0.5770 0.0690 3 Cu(63) Bbb -0.0388 -5.490 -1.959 -1.831 -0.5202 0.7762 -0.3562 Bcc 0.1193 16.884 6.025 5.632 -0.2591 0.2540 0.9318 Baa -0.0343 -4.863 -1.735 -1.622 0.7950 -0.1659 -0.5834 4 Cu(63) Bbb -0.0204 -2.888 -1.031 -0.963 0.2465 0.9672 0.0609 Bcc 0.0547 7.751 2.766 2.585 0.5542 -0.1922 0.8099 Baa -0.0340 -4.816 -1.718 -1.606 0.8021 0.5721 0.1714 5 Cu(63) Bbb -0.0208 -2.945 -1.051 -0.982 -0.5260 0.8126 -0.2510 Bcc 0.0548 7.761 2.769 2.589 -0.2829 0.1112 0.9527 Baa -0.0746 -10.568 -3.771 -3.525 0.8105 -0.1223 -0.5729 6 Cu(63) Bbb -0.0564 -7.989 -2.851 -2.665 0.4954 -0.3788 0.7817 Bcc 0.1311 18.557 6.622 6.190 0.3126 0.9173 0.2464 Baa -0.0347 -4.910 -1.752 -1.638 0.0179 0.6945 0.7193 7 Cu(63) Bbb -0.0210 -2.970 -1.060 -0.991 0.0981 0.7147 -0.6925 Bcc 0.0557 7.880 2.812 2.628 0.9950 -0.0829 0.0554 Baa -0.0755 -10.126 -3.613 -3.378 0.4332 -0.5317 0.7278 8 C(13) Bbb -0.0474 -6.357 -2.268 -2.120 0.7974 -0.1502 -0.5844 Bcc 0.1228 16.483 5.881 5.498 0.4200 0.8335 0.3589 Baa -0.1022 7.392 2.638 2.466 0.7879 -0.1352 -0.6007 9 O(17) Bbb -0.0959 6.938 2.476 2.314 -0.3806 0.6600 -0.6477 Bcc 0.1980 -14.329 -5.113 -4.780 0.4841 0.7390 0.4686 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sun Apr 13 00:18:30 2008, MaxMem= 1258291200 cpu: 2.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 9.99878563D-02 6.04388043D-01 1.14048539D-01 Polarizability= 2.72446840D+02 1.57803119D+00 2.81467230D+02 -3.00439963D+00 9.30743987D-01 2.70766775D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000023821 0.000112710 -0.000042960 2 29 0.000190391 0.000029378 0.000101523 3 29 0.000066013 0.000057138 0.000235528 4 29 -0.000134856 -0.000399593 -0.000006993 5 29 -0.000052792 -0.000107967 0.000045573 6 29 -0.000172729 -0.000103416 -0.000256093 7 29 0.000018828 -0.000135577 -0.000022068 8 6 -0.000238301 0.004725499 -0.001412928 9 8 0.000299625 -0.004178173 0.001358418 ------------------------------------------------------------------- Cartesian Forces: Max 0.004725499 RMS 0.001279773 Leave Link 716 at Sun Apr 13 00:18:30 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=2 IStep= 2. Leave Link 106 at Sun Apr 13 00:18:31 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0000 0.0000 0.0019 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1684.3977170244 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sun Apr 13 00:18:31 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 554 NPtTot= 95048 NUsed= 98963 NTot= 98995 NSgBfM= 186 186 186 186. Leave Link 302 at Sun Apr 13 00:18:34 2008, MaxMem= 1258291200 cpu: 7.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 1684.5397435891 hartrees. Leave Link 303 at Sun Apr 13 00:18:34 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. of initial guess= 0.7549 Leave Link 401 at Sun Apr 13 00:18:35 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 98962 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306792921. IEnd= 239127 IEndB= 239127 NGot=1258291200 MDV= 955639210 LenX= 955639210 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1486.53430009107 DIIS: error= 1.05D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1486.53430009107 IErMin= 1 ErrMin= 1.05D-03 ErrMax= 1.05D-03 EMaxC= 1.00D-01 BMatC= 3.50D-04 BMatP= 3.50D-04 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.05D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.057 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 GapD= 0.057 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.65D-04 MaxDP=8.06D-03 OVMax= 5.38D-02 Cycle 2 Pass 1 IDiag 1: E= -1486.53438494560 Delta-E= -0.000084854529 Rises=F Damp=T DIIS: error= 4.07D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1486.53438494560 IErMin= 2 ErrMin= 4.07D-04 ErrMax= 4.07D-04 EMaxC= 1.00D-01 BMatC= 2.90D-04 BMatP= 3.50D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.07D-03 Coeff-Com: 0.466D+00 0.534D+00 Coeff-En: 0.405D+00 0.595D+00 Coeff: 0.466D+00 0.534D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.99D-04 MaxDP=2.96D-03 DE=-8.49D-05 OVMax= 2.16D-02 Cycle 3 Pass 1 IDiag 1: E= -1486.53471952257 Delta-E= -0.000334576970 Rises=F Damp=F DIIS: error= 3.43D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1486.53471952257 IErMin= 3 ErrMin= 3.43D-04 ErrMax= 3.43D-04 EMaxC= 1.00D-01 BMatC= 1.81D-04 BMatP= 2.90D-04 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.43D-03 Coeff-Com: 0.297D+00 0.304D+00 0.399D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.296D+00 0.303D+00 0.401D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.36D-05 MaxDP=1.04D-03 DE=-3.35D-04 OVMax= 3.50D-03 Cycle 4 Pass 1 IDiag 1: E= -1486.53477650784 Delta-E= -0.000056985268 Rises=F Damp=F DIIS: error= 7.73D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1486.53477650784 IErMin= 4 ErrMin= 7.73D-05 ErrMax= 7.73D-05 EMaxC= 1.00D-01 BMatC= 1.33D-05 BMatP= 1.81D-04 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.113D+00 0.902D-02 0.168D+00 0.710D+00 Coeff: 0.113D+00 0.902D-02 0.168D+00 0.710D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.14D-05 MaxDP=5.79D-04 DE=-5.70D-05 OVMax= 2.23D-03 Cycle 5 Pass 1 IDiag 1: E= -1486.53477981655 Delta-E= -0.000003308709 Rises=F Damp=F DIIS: error= 8.74D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1486.53477981655 IErMin= 4 ErrMin= 7.73D-05 ErrMax= 8.74D-05 EMaxC= 1.00D-01 BMatC= 9.82D-06 BMatP= 1.33D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.556D-01-0.274D-01 0.627D-01 0.530D+00 0.379D+00 Coeff: 0.556D-01-0.274D-01 0.627D-01 0.530D+00 0.379D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.40D-05 MaxDP=2.60D-04 DE=-3.31D-06 OVMax= 1.13D-03 Cycle 6 Pass 1 IDiag 1: E= -1486.53478193134 Delta-E= -0.000002114793 Rises=F Damp=F DIIS: error= 4.83D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1486.53478193134 IErMin= 6 ErrMin= 4.83D-05 ErrMax= 4.83D-05 EMaxC= 1.00D-01 BMatC= 1.68D-06 BMatP= 9.82D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.101D-01-0.308D-01-0.157D-01 0.216D+00 0.292D+00 0.528D+00 Coeff: 0.101D-01-0.308D-01-0.157D-01 0.216D+00 0.292D+00 0.528D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.55D-06 MaxDP=1.30D-04 DE=-2.11D-06 OVMax= 1.06D-03 Cycle 7 Pass 1 IDiag 1: E= -1486.53478239842 Delta-E= -0.000000467084 Rises=F Damp=F DIIS: error= 2.55D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1486.53478239842 IErMin= 7 ErrMin= 2.55D-05 ErrMax= 2.55D-05 EMaxC= 1.00D-01 BMatC= 6.23D-07 BMatP= 1.68D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.151D-02-0.124D-01-0.230D-01 0.199D-01 0.959D-01 0.440D+00 Coeff-Com: 0.481D+00 Coeff: -0.151D-02-0.124D-01-0.230D-01 0.199D-01 0.959D-01 0.440D+00 Coeff: 0.481D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=5.43D-06 MaxDP=8.58D-05 DE=-4.67D-07 OVMax= 7.93D-04 Cycle 8 Pass 1 IDiag 1: E= -1486.53478264622 Delta-E= -0.000000247794 Rises=F Damp=F DIIS: error= 8.84D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1486.53478264622 IErMin= 8 ErrMin= 8.84D-06 ErrMax= 8.84D-06 EMaxC= 1.00D-01 BMatC= 1.10D-07 BMatP= 6.23D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.258D-02-0.375D-02-0.121D-01-0.345D-01-0.109D-01 0.200D+00 Coeff-Com: 0.338D+00 0.526D+00 Coeff: -0.258D-02-0.375D-02-0.121D-01-0.345D-01-0.109D-01 0.200D+00 Coeff: 0.338D+00 0.526D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.15D-06 MaxDP=5.78D-05 DE=-2.48D-07 OVMax= 4.98D-04 Cycle 9 Pass 1 IDiag 1: E= -1486.53478270793 Delta-E= -0.000000061715 Rises=F Damp=F DIIS: error= 5.86D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1486.53478270793 IErMin= 9 ErrMin= 5.86D-06 ErrMax= 5.86D-06 EMaxC= 1.00D-01 BMatC= 3.31D-08 BMatP= 1.10D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.711D-03 0.176D-02 0.216D-02-0.401D-01-0.647D-01-0.587D-01 Coeff-Com: 0.655D-01 0.392D+00 0.702D+00 Coeff: -0.711D-03 0.176D-02 0.216D-02-0.401D-01-0.647D-01-0.587D-01 Coeff: 0.655D-01 0.392D+00 0.702D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.90D-06 MaxDP=4.98D-05 DE=-6.17D-08 OVMax= 4.78D-04 Cycle 10 Pass 1 IDiag 1: E= -1486.53478274218 Delta-E= -0.000000034245 Rises=F Damp=F DIIS: error= 2.93D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1486.53478274218 IErMin=10 ErrMin= 2.93D-06 ErrMax= 2.93D-06 EMaxC= 1.00D-01 BMatC= 8.16D-09 BMatP= 3.31D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.593D-03 0.113D-02 0.499D-02-0.126D-01-0.355D-01-0.989D-01 Coeff-Com: -0.213D-01 0.825D-01 0.400D+00 0.679D+00 Coeff: 0.593D-03 0.113D-02 0.499D-02-0.126D-01-0.355D-01-0.989D-01 Coeff: -0.213D-01 0.825D-01 0.400D+00 0.679D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.32D-06 MaxDP=2.64D-05 DE=-3.42D-08 OVMax= 2.13D-04 Cycle 11 Pass 1 IDiag 1: E= -1486.53478274839 Delta-E= -0.000000006210 Rises=F Damp=F DIIS: error= 1.27D-06 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1486.53478274839 IErMin=11 ErrMin= 1.27D-06 ErrMax= 1.27D-06 EMaxC= 1.00D-01 BMatC= 1.52D-09 BMatP= 8.16D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.462D-03 0.403D-03 0.269D-02-0.253D-02-0.134D-01-0.554D-01 Coeff-Com: -0.174D-01 0.846D-03 0.137D+00 0.437D+00 0.510D+00 Coeff: 0.462D-03 0.403D-03 0.269D-02-0.253D-02-0.134D-01-0.554D-01 Coeff: -0.174D-01 0.846D-03 0.137D+00 0.437D+00 0.510D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.83D-07 MaxDP=7.33D-06 DE=-6.21D-09 OVMax= 5.05D-05 Cycle 12 Pass 1 IDiag 1: E= -1486.53478274915 Delta-E= -0.000000000765 Rises=F Damp=F DIIS: error= 9.24D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1486.53478274915 IErMin=12 ErrMin= 9.24D-07 ErrMax= 9.24D-07 EMaxC= 1.00D-01 BMatC= 5.08D-10 BMatP= 1.52D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.229D-03-0.269D-03 0.883D-04 0.456D-02 0.463D-02 0.357D-03 Coeff-Com: -0.147D-02-0.262D-01-0.793D-01 0.378D-01 0.409D+00 0.650D+00 Coeff: 0.229D-03-0.269D-03 0.883D-04 0.456D-02 0.463D-02 0.357D-03 Coeff: -0.147D-02-0.262D-01-0.793D-01 0.378D-01 0.409D+00 0.650D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.70D-07 MaxDP=6.62D-06 DE=-7.65D-10 OVMax= 4.31D-05 Cycle 13 Pass 1 IDiag 1: E= -1486.53478274950 Delta-E= -0.000000000347 Rises=F Damp=F DIIS: error= 2.45D-07 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1486.53478274950 IErMin=13 ErrMin= 2.45D-07 ErrMax= 2.45D-07 EMaxC= 1.00D-01 BMatC= 3.88D-11 BMatP= 5.08D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.193D-04-0.208D-03-0.418D-03 0.153D-02 0.295D-02 0.100D-01 Coeff-Com: 0.240D-02-0.631D-02-0.409D-01-0.806D-01 0.375D-01 0.138D+00 Coeff-Com: 0.936D+00 Coeff: -0.193D-04-0.208D-03-0.418D-03 0.153D-02 0.295D-02 0.100D-01 Coeff: 0.240D-02-0.631D-02-0.409D-01-0.806D-01 0.375D-01 0.138D+00 Coeff: 0.936D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.60D-07 MaxDP=4.12D-06 DE=-3.47D-10 OVMax= 2.82D-05 Cycle 14 Pass 1 IDiag 1: E= -1486.53478274958 Delta-E= -0.000000000083 Rises=F Damp=F DIIS: error= 1.76D-07 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1486.53478274958 IErMin=14 ErrMin= 1.76D-07 ErrMax= 1.76D-07 EMaxC= 1.00D-01 BMatC= 3.96D-11 BMatP= 3.88D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.676D-04-0.995D-04-0.320D-03-0.813D-05 0.919D-03 0.742D-02 Coeff-Com: 0.188D-02 0.345D-02-0.105D-01-0.734D-01-0.817D-01-0.520D-01 Coeff-Com: 0.724D+00 0.481D+00 Coeff: -0.676D-04-0.995D-04-0.320D-03-0.813D-05 0.919D-03 0.742D-02 Coeff: 0.188D-02 0.345D-02-0.105D-01-0.734D-01-0.817D-01-0.520D-01 Coeff: 0.724D+00 0.481D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=7.01D-08 MaxDP=1.57D-06 DE=-8.28D-11 OVMax= 1.15D-05 Cycle 15 Pass 1 IDiag 1: E= -1486.53478274961 Delta-E= -0.000000000030 Rises=F Damp=F DIIS: error= 6.10D-08 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1486.53478274961 IErMin=15 ErrMin= 6.10D-08 ErrMax= 6.10D-08 EMaxC= 1.00D-01 BMatC= 8.71D-12 BMatP= 3.88D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.189D-04 0.329D-05 0.753D-07-0.509D-03-0.589D-03 0.137D-03 Coeff-Com: 0.550D-03 0.585D-02 0.722D-02-0.663D-02-0.695D-01-0.672D-01 Coeff-Com: 0.862D-02 0.331D+00 0.791D+00 Coeff: -0.189D-04 0.329D-05 0.753D-07-0.509D-03-0.589D-03 0.137D-03 Coeff: 0.550D-03 0.585D-02 0.722D-02-0.663D-02-0.695D-01-0.672D-01 Coeff: 0.862D-02 0.331D+00 0.791D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=5.19D-08 MaxDP=1.12D-06 DE=-2.96D-11 OVMax= 9.31D-06 Cycle 16 Pass 1 IDiag 1: E= -1486.53478274962 Delta-E= -0.000000000010 Rises=F Damp=F DIIS: error= 4.84D-08 at cycle 16 NSaved= 16. NSaved=16 IEnMin=16 EnMin= -1486.53478274962 IErMin=16 ErrMin= 4.84D-08 ErrMax= 4.84D-08 EMaxC= 1.00D-01 BMatC= 1.90D-12 BMatP= 8.71D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.165D-05 0.834D-05 0.511D-04-0.259D-03-0.414D-03-0.114D-02 Coeff-Com: 0.253D-04 0.264D-02 0.513D-02 0.561D-02-0.279D-01-0.262D-01 Coeff-Com: -0.101D+00 0.106D+00 0.485D+00 0.552D+00 Coeff: 0.165D-05 0.834D-05 0.511D-04-0.259D-03-0.414D-03-0.114D-02 Coeff: 0.253D-04 0.264D-02 0.513D-02 0.561D-02-0.279D-01-0.262D-01 Coeff: -0.101D+00 0.106D+00 0.485D+00 0.552D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.72D-08 MaxDP=3.24D-07 DE=-9.55D-12 OVMax= 2.23D-06 Cycle 17 Pass 1 IDiag 1: E= -1486.53478274962 Delta-E= 0.000000000005 Rises=F Damp=F DIIS: error= 2.98D-08 at cycle 17 NSaved= 17. NSaved=17 IEnMin=16 EnMin= -1486.53478274962 IErMin=17 ErrMin= 2.98D-08 ErrMax= 2.98D-08 EMaxC= 1.00D-01 BMatC= 9.88D-13 BMatP= 1.90D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.886D-05 0.896D-05 0.537D-04-0.110D-03-0.260D-03-0.115D-02 Coeff-Com: -0.996D-04 0.651D-03 0.316D-02 0.726D-02-0.471D-02-0.661D-02 Coeff-Com: -0.862D-01-0.278D-02 0.179D+00 0.478D+00 0.434D+00 Coeff: 0.886D-05 0.896D-05 0.537D-04-0.110D-03-0.260D-03-0.115D-02 Coeff: -0.996D-04 0.651D-03 0.316D-02 0.726D-02-0.471D-02-0.661D-02 Coeff: -0.862D-01-0.278D-02 0.179D+00 0.478D+00 0.434D+00 Gap= 0.059 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=7.39D-09 MaxDP=1.57D-07 DE= 4.55D-12 OVMax= 1.05D-06 SCF Done: E(UB+HF-LYP) = -1486.53478275 A.U. after 17 cycles Convg = 0.7394D-08 -V/T = 2.4793 S**2 = 0.7552 KE= 1.004899659154D+03 PE=-6.998258970535D+03 EE= 2.822284785042D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7552, after 0.7500 Leave Link 502 at Sun Apr 13 00:19:30 2008, MaxMem= 1258291200 cpu: 173.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 172 NBasis= 172 NAE= 74 NBE= 73 NFC= 0 NFV= 0 NROrb= 172 NOA= 74 NOB= 73 NVA= 98 NVB= 99 **** Warning!!: The largest alpha MO coefficient is 0.12366364D+02 **** Warning!!: The smallest alpha delta epsilon is 0.58913758D-01 **** Warning!!: The largest beta MO coefficient is 0.12365077D+02 Leave Link 801 at Sun Apr 13 00:19:30 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 9. Will process 10 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Sun Apr 13 00:19:37 2008, MaxMem= 1258291200 cpu: 17.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 9. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sun Apr 13 00:19:38 2008, MaxMem= 1258291200 cpu: 0.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 9. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291126. G2DrvN: will do 10 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Sun Apr 13 00:20:50 2008, MaxMem= 1258291200 cpu: 283.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: UHF wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291126 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 303287223. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. CalDSu exits because no D1Ps are significant. There are 3 degrees of freedom in the 1st order CPHF. 3 vectors were produced by pass 0. AX will form 3 AO Fock derivatives at one time. 3 vectors were produced by pass 1. 3 vectors were produced by pass 2. 3 vectors were produced by pass 3. 3 vectors were produced by pass 4. 3 vectors were produced by pass 5. 3 vectors were produced by pass 6. 3 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. 3 vectors were produced by pass 11. 3 vectors were produced by pass 12. 3 vectors were produced by pass 13. 3 vectors were produced by pass 14. 3 vectors were produced by pass 15. 3 vectors were produced by pass 16. 3 vectors were produced by pass 17. 3 vectors were produced by pass 18. Inv2: IOpt= 1 Iter= 1 AM= 9.99D-16 Conv= 1.00D-12. Inverted reduced A of dimension 57 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.272841D+03 2 0.366465D+01 0.284204D+03 3 -0.950652D+00 0.153426D+01 0.269942D+03 Isotropic polarizability for W= 0.000000 275.66 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sun Apr 13 00:22:16 2008, MaxMem= 1258291200 cpu: 309.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26312 -10.34604 -4.34729 -4.30191 -4.30172 Alpha occ. eigenvalues -- -4.29796 -4.28871 -4.28778 -4.28767 -2.85904 Alpha occ. eigenvalues -- -2.85133 -2.85052 -2.81079 -2.80993 -2.80939 Alpha occ. eigenvalues -- -2.80879 -2.80800 -2.80768 -2.80625 -2.80517 Alpha occ. eigenvalues -- -2.80386 -2.79808 -2.79712 -2.79700 -2.79493 Alpha occ. eigenvalues -- -2.79487 -2.79418 -2.79412 -2.79394 -2.79387 Alpha occ. eigenvalues -- -1.17985 -0.58389 -0.48355 -0.47723 -0.46576 Alpha occ. eigenvalues -- -0.35784 -0.34197 -0.34044 -0.32947 -0.32925 Alpha occ. eigenvalues -- -0.32650 -0.31267 -0.30969 -0.30942 -0.30860 Alpha occ. eigenvalues -- -0.29753 -0.29746 -0.29308 -0.28932 -0.28861 Alpha occ. eigenvalues -- -0.28701 -0.28101 -0.28051 -0.27474 -0.27293 Alpha occ. eigenvalues -- -0.27105 -0.26847 -0.26796 -0.26652 -0.26384 Alpha occ. eigenvalues -- -0.26374 -0.26258 -0.26130 -0.26114 -0.26022 Alpha occ. eigenvalues -- -0.25958 -0.25886 -0.25682 -0.25384 -0.25344 Alpha occ. eigenvalues -- -0.24866 -0.21019 -0.20758 -0.14673 Alpha virt. eigenvalues -- -0.08781 -0.08391 -0.07756 -0.07425 -0.07367 Alpha virt. eigenvalues -- -0.03063 -0.02752 -0.00851 -0.00290 -0.00159 Alpha virt. eigenvalues -- 0.01647 0.01837 0.02829 0.02965 0.03282 Alpha virt. eigenvalues -- 0.03376 0.04268 0.04351 0.04603 0.04713 Alpha virt. eigenvalues -- 0.04924 0.06035 0.06539 0.07091 0.07156 Alpha virt. eigenvalues -- 0.08068 0.08252 0.08523 0.09076 0.09825 Alpha virt. eigenvalues -- 0.09947 0.10439 0.10610 0.11897 0.12190 Alpha virt. eigenvalues -- 0.18845 0.18998 0.19594 0.21233 0.23379 Alpha virt. eigenvalues -- 0.24299 0.24804 0.26725 0.27412 0.27757 Alpha virt. eigenvalues -- 0.30485 0.30880 0.33939 0.39224 0.40881 Alpha virt. eigenvalues -- 0.53713 0.63499 0.64502 0.65491 0.66947 Alpha virt. eigenvalues -- 0.67187 0.67669 0.68795 0.69693 0.70976 Alpha virt. eigenvalues -- 0.73215 0.76897 0.78484 0.81707 0.82561 Alpha virt. eigenvalues -- 0.84309 0.85919 0.86764 0.86839 0.89573 Alpha virt. eigenvalues -- 0.90086 0.91855 0.93814 0.98384 1.02793 Alpha virt. eigenvalues -- 1.03056 1.04687 1.06374 1.08160 1.16552 Alpha virt. eigenvalues -- 1.17858 1.21689 1.24848 1.28482 1.28982 Alpha virt. eigenvalues -- 1.29303 1.31281 1.31559 1.31920 1.35261 Alpha virt. eigenvalues -- 1.55471 1.67996 1.80274 1.84175 2.21376 Alpha virt. eigenvalues -- 2.24573 2.36258 10.21965 Beta occ. eigenvalues -- -19.26209 -10.34401 -4.34479 -4.30137 -4.30119 Beta occ. eigenvalues -- -4.29732 -4.28837 -4.28730 -4.28720 -2.85605 Beta occ. eigenvalues -- -2.84928 -2.84793 -2.80993 -2.80954 -2.80937 Beta occ. eigenvalues -- -2.80883 -2.80713 -2.80669 -2.80531 -2.80514 Beta occ. eigenvalues -- -2.80307 -2.79776 -2.79653 -2.79644 -2.79472 Beta occ. eigenvalues -- -2.79453 -2.79390 -2.79384 -2.79342 -2.79339 Beta occ. eigenvalues -- -1.17752 -0.58014 -0.47898 -0.47589 -0.45815 Beta occ. eigenvalues -- -0.35323 -0.34048 -0.33952 -0.32746 -0.32593 Beta occ. eigenvalues -- -0.32308 -0.31132 -0.30845 -0.30778 -0.30578 Beta occ. eigenvalues -- -0.29696 -0.29685 -0.29293 -0.28841 -0.28628 Beta occ. eigenvalues -- -0.28567 -0.28022 -0.27949 -0.27304 -0.27134 Beta occ. eigenvalues -- -0.27069 -0.26713 -0.26685 -0.26575 -0.26325 Beta occ. eigenvalues -- -0.26209 -0.26170 -0.26052 -0.26016 -0.25871 Beta occ. eigenvalues -- -0.25837 -0.25825 -0.25399 -0.25284 -0.25232 Beta occ. eigenvalues -- -0.24839 -0.20695 -0.20461 Beta virt. eigenvalues -- -0.10136 -0.08163 -0.08010 -0.07237 -0.07195 Beta virt. eigenvalues -- -0.07056 -0.02481 -0.02222 -0.00608 -0.00102 Beta virt. eigenvalues -- 0.00284 0.01813 0.01907 0.02932 0.03258 Beta virt. eigenvalues -- 0.03501 0.03545 0.04393 0.04451 0.04732 Beta virt. eigenvalues -- 0.04812 0.05036 0.06199 0.06646 0.07181 Beta virt. eigenvalues -- 0.07266 0.08118 0.08295 0.08526 0.09316 Beta virt. eigenvalues -- 0.09971 0.10108 0.10557 0.10658 0.12275 Beta virt. eigenvalues -- 0.12529 0.19191 0.19471 0.19947 0.21367 Beta virt. eigenvalues -- 0.23596 0.24572 0.25102 0.26925 0.27700 Beta virt. eigenvalues -- 0.27999 0.30760 0.31026 0.34220 0.39334 Beta virt. eigenvalues -- 0.41181 0.53984 0.63909 0.64758 0.65789 Beta virt. eigenvalues -- 0.67092 0.67442 0.67901 0.68957 0.69895 Beta virt. eigenvalues -- 0.71187 0.73451 0.77043 0.78650 0.81996 Beta virt. eigenvalues -- 0.82806 0.84602 0.86092 0.86949 0.87105 Beta virt. eigenvalues -- 0.89946 0.90478 0.92186 0.94037 0.98569 Beta virt. eigenvalues -- 1.03033 1.03392 1.05011 1.06654 1.08487 Beta virt. eigenvalues -- 1.16743 1.18054 1.22002 1.25102 1.28743 Beta virt. eigenvalues -- 1.29212 1.29509 1.31465 1.31798 1.32086 Beta virt. eigenvalues -- 1.35595 1.55636 1.68190 1.80400 1.84338 Beta virt. eigenvalues -- 2.21535 2.24893 2.36421 10.22116 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.039146 -0.029249 -0.033812 -0.058154 0.060516 0.062641 2 Cu -0.029249 19.052113 -0.020031 -0.131547 0.004516 -0.022522 3 Cu -0.033812 -0.020031 19.077405 -0.133809 0.074937 -0.019557 4 Cu -0.058154 -0.131547 -0.133809 19.251646 -0.087298 -0.123142 5 Cu 0.060516 0.004516 0.074937 -0.087298 18.998166 -0.018593 6 Cu 0.062641 -0.022522 -0.019557 -0.123142 -0.018593 19.069062 7 Cu 0.061489 0.076207 0.001615 -0.088038 0.068948 -0.016014 8 C 0.009944 0.007365 0.007138 0.134950 0.020277 0.004802 9 O -0.000921 -0.001015 -0.001162 0.042174 -0.012863 -0.003536 7 8 9 1 Cu 0.061489 0.009944 -0.000921 2 Cu 0.076207 0.007365 -0.001015 3 Cu 0.001615 0.007138 -0.001162 4 Cu -0.088038 0.134950 0.042174 5 Cu 0.068948 0.020277 -0.012863 6 Cu -0.016014 0.004802 -0.003536 7 Cu 19.025672 0.021446 -0.013319 8 C 0.021446 5.147349 0.542896 9 O -0.013319 0.542896 7.564882 Mulliken atomic charges: 1 1 Cu -0.111600 2 Cu 0.064163 3 Cu 0.047276 4 Cu 0.193217 5 Cu -0.108606 6 Cu 0.066858 7 Cu -0.138006 8 C 0.103833 9 O -0.117135 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.111600 2 Cu 0.064163 3 Cu 0.047276 4 Cu 0.193217 5 Cu -0.108606 6 Cu 0.066858 7 Cu -0.138006 8 C 0.103833 9 O -0.117135 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.095773 -0.026151 -0.026114 0.028229 0.006219 -0.007206 2 Cu -0.026151 0.106478 0.047035 -0.027506 -0.007747 0.053670 3 Cu -0.026114 0.047035 0.117997 -0.027725 0.000765 0.057263 4 Cu 0.028229 -0.027506 -0.027725 0.125383 0.014944 -0.027931 5 Cu 0.006219 -0.007747 0.000765 0.014944 0.084321 -0.014634 6 Cu -0.007206 0.053670 0.057263 -0.027931 -0.014634 0.170608 7 Cu 0.006356 0.001100 -0.006867 0.013574 0.012419 -0.013296 8 C -0.004993 -0.000003 -0.000561 -0.011324 -0.005151 -0.001334 9 O -0.000072 -0.000091 -0.000047 -0.000117 -0.000294 0.000066 7 8 9 1 Cu 0.006356 -0.004993 -0.000072 2 Cu 0.001100 -0.000003 -0.000091 3 Cu -0.006867 -0.000561 -0.000047 4 Cu 0.013574 -0.011324 -0.000117 5 Cu 0.012419 -0.005151 -0.000294 6 Cu -0.013296 -0.001334 0.000066 7 Cu 0.091602 -0.004575 -0.000499 8 C -0.004575 0.159774 -0.030467 9 O -0.000499 -0.030467 0.054195 Mulliken atomic spin densities: 1 1 Cu 0.072041 2 Cu 0.146784 3 Cu 0.161745 4 Cu 0.087527 5 Cu 0.090843 6 Cu 0.217207 7 Cu 0.099815 8 C 0.101366 9 O 0.022673 Sum of Mulliken spin densities= 1.00000 APT atomic charges: 1 1 Cu -0.054828 2 Cu 0.010373 3 Cu -0.010993 4 Cu 0.003119 5 Cu -0.010969 6 Cu -0.023965 7 Cu -0.045361 8 C 1.161880 9 O -1.029255 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.054828 2 Cu 0.010373 3 Cu -0.010993 4 Cu 0.003119 5 Cu -0.010969 6 Cu -0.023965 7 Cu -0.045361 8 C 1.161880 9 O -1.029255 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3208.6714 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2513 Y= 0.1734 Z= -1.0128 Tot= 1.0578 Quadrupole moment (field-independent basis, Debye-Ang): XX= -99.8999 YY= -105.0105 ZZ= -103.2829 XY= 2.5476 XZ= -2.6343 YZ= 6.3929 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.8312 YY= -2.2794 ZZ= -0.5518 XY= 2.5476 XZ= -2.6343 YZ= 6.3929 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -50.3620 YYY= 273.5391 ZZZ= -98.9253 XYY= -20.9941 XXY= 78.9076 XXZ= -30.2277 XZZ= -13.9186 YZZ= 89.5145 YYZ= -52.0948 XYZ= 9.9230 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1069.6866 YYYY= -1858.7295 ZZZZ= -1200.7085 XXXY= 75.2667 XXXZ= -44.5013 YYYX= 95.2338 YYYZ= 250.4196 ZZZX= -37.3221 ZZZY= 183.1885 XXYY= -450.2964 XXZZ= -364.2746 YYZZ= -522.6052 XXYZ= 57.8261 YYXZ= -51.0526 ZZXY= 40.0968 N-N= 1.684539743589D+03 E-N=-6.998258977516D+03 KE= 1.004899659154D+03 Exact polarizability: 272.841 3.665 284.204 -0.951 1.534 269.942 Approx polarizability: 602.376 5.498 627.878 -3.483 0.490 596.753 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00337 0.00120 0.00112 2 Cu(63) 0.00000 0.00260 0.00093 0.00087 3 Cu(63) 0.00000 0.00277 0.00099 0.00092 4 Cu(63) 0.00000 0.00072 0.00026 0.00024 5 Cu(63) 0.00000 0.00218 0.00078 0.00073 6 Cu(63) 0.00000 0.00410 0.00146 0.00137 7 Cu(63) 0.00000 0.00217 0.00077 0.00072 8 C(13) 0.09738 109.47902 39.06484 36.51827 9 O(17) 0.01444 -8.75276 -3.12320 -2.91961 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.008598 0.025043 -0.016445 2 Atom 0.119413 -0.059449 -0.059964 3 Atom -0.054399 -0.045042 0.099442 4 Atom -0.005192 -0.016416 0.021608 5 Atom -0.021741 -0.022842 0.044583 6 Atom -0.053437 0.102356 -0.048919 7 Atom 0.054998 -0.026283 -0.028715 8 Atom -0.021349 0.061974 -0.040625 9 Atom -0.027775 0.064287 -0.036512 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.009709 -0.007285 0.007781 2 Atom 0.007297 0.005581 -0.020118 3 Atom -0.027604 -0.044562 0.035870 4 Atom -0.005098 0.040837 -0.014545 5 Atom -0.006926 -0.021686 0.006036 6 Atom 0.052697 0.026551 0.042300 7 Atom -0.007150 0.003619 -0.006822 8 Atom 0.065769 0.015837 0.059139 9 Atom 0.105913 0.067688 0.096693 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0236 -3.348 -1.194 -1.117 0.5430 -0.2370 0.8056 1 Cu(63) Bbb -0.0047 -0.671 -0.240 -0.224 0.8083 -0.1125 -0.5779 Bcc 0.0284 4.019 1.434 1.341 0.2276 0.9650 0.1305 Baa -0.0802 -11.361 -4.054 -3.790 -0.0455 0.7029 0.7099 2 Cu(63) Bbb -0.0396 -5.606 -2.000 -1.870 -0.0079 0.7103 -0.7038 Bcc 0.1198 16.967 6.054 5.660 0.9989 0.0376 0.0268 Baa -0.0787 -11.140 -3.975 -3.716 0.8141 0.5741 0.0881 3 Cu(63) Bbb -0.0433 -6.130 -2.187 -2.045 -0.5124 0.7813 -0.3563 Bcc 0.1220 17.270 6.163 5.761 -0.2733 0.2449 0.9302 Baa -0.0359 -5.085 -1.814 -1.696 0.7583 -0.2507 -0.6018 4 Cu(63) Bbb -0.0184 -2.601 -0.928 -0.868 0.3236 0.9461 0.0137 Bcc 0.0543 7.685 2.742 2.564 0.5659 -0.2051 0.7986 Baa -0.0313 -4.434 -1.582 -1.479 0.8226 0.5350 0.1925 5 Cu(63) Bbb -0.0205 -2.907 -1.037 -0.970 -0.4890 0.8384 -0.2406 Bcc 0.0519 7.342 2.620 2.449 -0.2901 0.1038 0.9514 Baa -0.0789 -11.167 -3.985 -3.725 0.8113 -0.1015 -0.5758 6 Cu(63) Bbb -0.0526 -7.445 -2.657 -2.483 0.5024 -0.3826 0.7754 Bcc 0.1315 18.612 6.641 6.208 0.2990 0.9183 0.2594 Baa -0.0345 -4.880 -1.741 -1.628 0.0213 0.6511 0.7587 7 Cu(63) Bbb -0.0214 -3.025 -1.079 -1.009 0.1013 0.7536 -0.6495 Bcc 0.0558 7.905 2.821 2.637 0.9946 -0.0907 0.0499 Baa -0.0741 -9.942 -3.548 -3.316 0.4413 -0.5285 0.7252 8 C(13) Bbb -0.0462 -6.200 -2.212 -2.068 0.7895 -0.1554 -0.5938 Bcc 0.1203 16.142 5.760 5.384 0.4265 0.8346 0.3487 Baa -0.1002 7.254 2.588 2.420 0.7776 -0.1403 -0.6129 9 O(17) Bbb -0.0939 6.792 2.423 2.265 -0.3905 0.6563 -0.6456 Bcc 0.1941 -14.045 -5.012 -4.685 0.4928 0.7414 0.4555 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sun Apr 13 00:22:17 2008, MaxMem= 1258291200 cpu: 3.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 9.88524228D-02 6.82178450D-02-3.98452697D-01 Polarizability= 2.72841005D+02 3.66464724D+00 2.84204376D+02 -9.50651757D-01 1.53425990D+00 2.69942233D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000001116 0.000082942 0.000085289 2 29 0.000115439 0.000013267 0.000012378 3 29 -0.000013803 0.000041736 0.000072101 4 29 -0.000221381 -0.000466198 -0.000125791 5 29 0.000081632 -0.000128654 -0.000005661 6 29 -0.000078452 0.000074823 -0.000069466 7 29 0.000022037 -0.000064765 0.000147681 8 6 -0.000045659 0.003719630 -0.001419803 9 8 0.000141302 -0.003272781 0.001303272 ------------------------------------------------------------------- Cartesian Forces: Max 0.003719630 RMS 0.001030400 Leave Link 716 at Sun Apr 13 00:22:17 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=3 IStep= 1. Leave Link 106 at Sun Apr 13 00:22:18 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0000 0.0000 -0.0019 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 172 basis functions, 421 primitive gaussians, 186 cartesian basis functions 74 alpha electrons 73 beta electrons nuclear repulsion energy 1684.3977170244 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 9 NActive= 9 NUniq= 9 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Sun Apr 13 00:22:18 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 172 RedAO= T NBF= 172 NBsUse= 172 1.00D-06 NBFU= 172 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 554 NPtTot= 95048 NUsed= 98963 NTot= 98995 NSgBfM= 186 186 186 186. Leave Link 302 at Sun Apr 13 00:22:21 2008, MaxMem= 1258291200 cpu: 7.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 1684.2556904598 hartrees. Leave Link 303 at Sun Apr 13 00:22:21 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. of initial guess= 0.7549 Leave Link 401 at Sun Apr 13 00:22:22 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) UHF open shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 98962 words used for storage of precomputed grid. Keep R1 and R2 integrals in memory in canonical form, NReq= 306792921. IEnd= 239127 IEndB= 239127 NGot=1258291200 MDV= 955639210 LenX= 955639210 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -1486.53472390048 DIIS: error= 1.05D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1486.53472390048 IErMin= 1 ErrMin= 1.05D-03 ErrMax= 1.05D-03 EMaxC= 1.00D-01 BMatC= 3.50D-04 BMatP= 3.50D-04 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.05D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.064 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 GapD= 0.064 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.58D-04 MaxDP=7.82D-03 OVMax= 5.13D-02 Cycle 2 Pass 1 IDiag 1: E= -1486.53482583563 Delta-E= -0.000101935145 Rises=F Damp=T DIIS: error= 3.68D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1486.53482583563 IErMin= 2 ErrMin= 3.68D-04 ErrMax= 3.68D-04 EMaxC= 1.00D-01 BMatC= 2.61D-04 BMatP= 3.50D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.68D-03 Coeff-Com: 0.448D+00 0.552D+00 Coeff-En: 0.380D+00 0.620D+00 Coeff: 0.448D+00 0.552D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.04D-04 MaxDP=2.94D-03 DE=-1.02D-04 OVMax= 1.88D-02 Cycle 3 Pass 1 IDiag 1: E= -1486.53514788127 Delta-E= -0.000322045646 Rises=F Damp=F DIIS: error= 3.35D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1486.53514788127 IErMin= 3 ErrMin= 3.35D-04 ErrMax= 3.35D-04 EMaxC= 1.00D-01 BMatC= 1.88D-04 BMatP= 2.61D-04 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.35D-03 Coeff-Com: 0.289D+00 0.326D+00 0.386D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.288D+00 0.325D+00 0.388D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.29D-05 MaxDP=8.62D-04 DE=-3.22D-04 OVMax= 3.09D-03 Cycle 4 Pass 1 IDiag 1: E= -1486.53520235254 Delta-E= -0.000054471271 Rises=F Damp=F DIIS: error= 7.49D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1486.53520235254 IErMin= 4 ErrMin= 7.49D-05 ErrMax= 7.49D-05 EMaxC= 1.00D-01 BMatC= 1.13D-05 BMatP= 1.88D-04 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.103D+00 0.291D-03 0.150D+00 0.746D+00 Coeff: 0.103D+00 0.291D-03 0.150D+00 0.746D+00 Gap= 0.062 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.02D-05 MaxDP=5.71D-04 DE=-5.45D-05 OVMax= 2.40D-03 Cycle 5 Pass 1 IDiag 1: E= -1486.53520650079 Delta-E= -0.000004148243 Rises=F Damp=F DIIS: error= 4.90D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1486.53520650079 IErMin= 5 ErrMin= 4.90D-05 ErrMax= 4.90D-05 EMaxC= 1.00D-01 BMatC= 4.50D-06 BMatP= 1.13D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.407D-01-0.318D-01 0.316D-01 0.471D+00 0.488D+00 Coeff: 0.407D-01-0.318D-01 0.316D-01 0.471D+00 0.488D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.32D-05 MaxDP=2.39D-04 DE=-4.15D-06 OVMax= 1.31D-03 Cycle 6 Pass 1 IDiag 1: E= -1486.53520778226 Delta-E= -0.000001281477 Rises=F Damp=F DIIS: error= 2.47D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1486.53520778226 IErMin= 6 ErrMin= 2.47D-05 ErrMax= 2.47D-05 EMaxC= 1.00D-01 BMatC= 1.19D-06 BMatP= 4.50D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.310D-02-0.243D-01-0.275D-01 0.134D+00 0.378D+00 0.537D+00 Coeff: 0.310D-02-0.243D-01-0.275D-01 0.134D+00 0.378D+00 0.537D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=7.95D-06 MaxDP=1.59D-04 DE=-1.28D-06 OVMax= 1.01D-03 Cycle 7 Pass 1 IDiag 1: E= -1486.53520817825 Delta-E= -0.000000395982 Rises=F Damp=F DIIS: error= 1.51D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1486.53520817825 IErMin= 7 ErrMin= 1.51D-05 ErrMax= 1.51D-05 EMaxC= 1.00D-01 BMatC= 3.32D-07 BMatP= 1.19D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.278D-02-0.815D-02-0.217D-01-0.106D-01 0.153D+00 0.406D+00 Coeff-Com: 0.484D+00 Coeff: -0.278D-02-0.815D-02-0.217D-01-0.106D-01 0.153D+00 0.406D+00 Coeff: 0.484D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.32D-06 MaxDP=6.50D-05 DE=-3.96D-07 OVMax= 6.57D-04 Cycle 8 Pass 1 IDiag 1: E= -1486.53520832081 Delta-E= -0.000000142563 Rises=F Damp=F DIIS: error= 9.81D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1486.53520832081 IErMin= 8 ErrMin= 9.81D-06 ErrMax= 9.81D-06 EMaxC= 1.00D-01 BMatC= 9.91D-08 BMatP= 3.32D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.269D-02-0.300D-02-0.105D-01-0.362D-01 0.228D-01 0.199D+00 Coeff-Com: 0.365D+00 0.465D+00 Coeff: -0.269D-02-0.300D-02-0.105D-01-0.362D-01 0.228D-01 0.199D+00 Coeff: 0.365D+00 0.465D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.38D-06 MaxDP=3.63D-05 DE=-1.43D-07 OVMax= 3.67D-04 Cycle 9 Pass 1 IDiag 1: E= -1486.53520836497 Delta-E= -0.000000044162 Rises=F Damp=F DIIS: error= 5.40D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1486.53520836497 IErMin= 9 ErrMin= 5.40D-06 ErrMax= 5.40D-06 EMaxC= 1.00D-01 BMatC= 4.10D-08 BMatP= 9.91D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.723D-03 0.247D-02 0.295D-02-0.394D-01-0.863D-01-0.316D-01 Coeff-Com: 0.110D+00 0.431D+00 0.611D+00 Coeff: -0.723D-03 0.247D-02 0.295D-02-0.394D-01-0.863D-01-0.316D-01 Coeff: 0.110D+00 0.431D+00 0.611D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.50D-06 MaxDP=4.45D-05 DE=-4.42D-08 OVMax= 4.24D-04 Cycle 10 Pass 1 IDiag 1: E= -1486.53520839291 Delta-E= -0.000000027941 Rises=F Damp=F DIIS: error= 3.37D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1486.53520839291 IErMin=10 ErrMin= 3.37D-06 ErrMax= 3.37D-06 EMaxC= 1.00D-01 BMatC= 8.67D-09 BMatP= 4.10D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.346D-03 0.139D-02 0.451D-02-0.129D-01-0.612D-01-0.756D-01 Coeff-Com: 0.200D-02 0.133D+00 0.415D+00 0.593D+00 Coeff: 0.346D-03 0.139D-02 0.451D-02-0.129D-01-0.612D-01-0.756D-01 Coeff: 0.200D-02 0.133D+00 0.415D+00 0.593D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=9.93D-07 MaxDP=1.81D-05 DE=-2.79D-08 OVMax= 1.57D-04 Cycle 11 Pass 1 IDiag 1: E= -1486.53520839728 Delta-E= -0.000000004368 Rises=F Damp=F DIIS: error= 1.46D-06 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1486.53520839728 IErMin=11 ErrMin= 1.46D-06 ErrMax= 1.46D-06 EMaxC= 1.00D-01 BMatC= 1.79D-09 BMatP= 8.67D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.411D-03 0.527D-03 0.242D-02-0.151D-02-0.247D-01-0.455D-01 Coeff-Com: -0.934D-02-0.308D-02 0.152D+00 0.414D+00 0.514D+00 Coeff: 0.411D-03 0.527D-03 0.242D-02-0.151D-02-0.247D-01-0.455D-01 Coeff: -0.934D-02-0.308D-02 0.152D+00 0.414D+00 0.514D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.05D-07 MaxDP=7.52D-06 DE=-4.37D-09 OVMax= 5.03D-05 Cycle 12 Pass 1 IDiag 1: E= -1486.53520839789 Delta-E= -0.000000000611 Rises=F Damp=F DIIS: error= 5.91D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1486.53520839789 IErMin=12 ErrMin= 5.91D-07 ErrMax= 5.91D-07 EMaxC= 1.00D-01 BMatC= 3.48D-10 BMatP= 1.79D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.189D-03-0.172D-03 0.437D-04 0.381D-02 0.427D-02-0.364D-02 Coeff-Com: -0.596D-02-0.351D-01-0.418D-01 0.440D-01 0.353D+00 0.682D+00 Coeff: 0.189D-03-0.172D-03 0.437D-04 0.381D-02 0.427D-02-0.364D-02 Coeff: -0.596D-02-0.351D-01-0.418D-01 0.440D-01 0.353D+00 0.682D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.14D-07 MaxDP=4.26D-06 DE=-6.11D-10 OVMax= 2.84D-05 Cycle 13 Pass 1 IDiag 1: E= -1486.53520839812 Delta-E= -0.000000000225 Rises=F Damp=F DIIS: error= 2.29D-07 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1486.53520839812 IErMin=13 ErrMin= 2.29D-07 ErrMax= 2.29D-07 EMaxC= 1.00D-01 BMatC= 8.45D-11 BMatP= 3.48D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.909D-04-0.190D-03-0.205D-03 0.270D-02 0.537D-02 0.306D-02 Coeff-Com: -0.248D-02-0.231D-01-0.452D-01-0.127D-01 0.182D+00 0.441D+00 Coeff-Com: 0.449D+00 Coeff: 0.909D-04-0.190D-03-0.205D-03 0.270D-02 0.537D-02 0.306D-02 Coeff: -0.248D-02-0.231D-01-0.452D-01-0.127D-01 0.182D+00 0.441D+00 Coeff: 0.449D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.19D-08 MaxDP=1.63D-06 DE=-2.25D-10 OVMax= 1.04D-05 Cycle 14 Pass 1 IDiag 1: E= -1486.53520839815 Delta-E= -0.000000000037 Rises=F Damp=F DIIS: error= 1.89D-07 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1486.53520839815 IErMin=14 ErrMin= 1.89D-07 ErrMax= 1.89D-07 EMaxC= 1.00D-01 BMatC= 3.48D-11 BMatP= 8.45D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.497D-04-0.105D-03-0.284D-03 0.151D-03 0.284D-02 0.609D-02 Coeff-Com: -0.135D-03 0.244D-02-0.186D-01-0.556D-01-0.596D-01 0.801D-02 Coeff-Com: 0.414D+00 0.701D+00 Coeff: -0.497D-04-0.105D-03-0.284D-03 0.151D-03 0.284D-02 0.609D-02 Coeff: -0.135D-03 0.244D-02-0.186D-01-0.556D-01-0.596D-01 0.801D-02 Coeff: 0.414D+00 0.701D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.15D-08 MaxDP=1.92D-06 DE=-3.68D-11 OVMax= 1.32D-05 Cycle 15 Pass 1 IDiag 1: E= -1486.53520839819 Delta-E= -0.000000000033 Rises=F Damp=F DIIS: error= 5.57D-08 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1486.53520839819 IErMin=15 ErrMin= 5.57D-08 ErrMax= 5.57D-08 EMaxC= 1.00D-01 BMatC= 2.33D-12 BMatP= 3.48D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.201D-04 0.118D-05-0.738D-05-0.455D-03-0.333D-03 0.641D-03 Coeff-Com: 0.131D-02 0.589D-02 0.301D-02-0.104D-01-0.541D-01-0.844D-01 Coeff-Com: 0.509D-01 0.137D+00 0.951D+00 Coeff: -0.201D-04 0.118D-05-0.738D-05-0.455D-03-0.333D-03 0.641D-03 Coeff: 0.131D-02 0.589D-02 0.301D-02-0.104D-01-0.541D-01-0.844D-01 Coeff: 0.509D-01 0.137D+00 0.951D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.64D-08 MaxDP=8.23D-07 DE=-3.32D-11 OVMax= 6.64D-06 Cycle 16 Pass 1 IDiag 1: E= -1486.53520839818 Delta-E= 0.000000000002 Rises=F Damp=F DIIS: error= 6.67D-08 at cycle 16 NSaved= 16. NSaved=16 IEnMin=15 EnMin= -1486.53520839819 IErMin=15 ErrMin= 5.57D-08 ErrMax= 6.67D-08 EMaxC= 1.00D-01 BMatC= 2.52D-12 BMatP= 2.33D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.315D-05 0.959D-05 0.409D-04-0.277D-03-0.618D-03-0.654D-03 Coeff-Com: 0.100D-02 0.303D-02 0.454D-02 0.141D-02-0.246D-01-0.530D-01 Coeff-Com: -0.311D-01-0.467D-01 0.718D+00 0.429D+00 Coeff: -0.315D-05 0.959D-05 0.409D-04-0.277D-03-0.618D-03-0.654D-03 Coeff: 0.100D-02 0.303D-02 0.454D-02 0.141D-02-0.246D-01-0.530D-01 Coeff: -0.311D-01-0.467D-01 0.718D+00 0.429D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.11D-08 MaxDP=2.20D-07 DE= 2.27D-12 OVMax= 1.57D-06 Cycle 17 Pass 1 IDiag 1: E= -1486.53520839819 Delta-E= -0.000000000005 Rises=F Damp=F DIIS: error= 1.46D-08 at cycle 17 NSaved= 17. NSaved=17 IEnMin=17 EnMin= -1486.53520839819 IErMin=17 ErrMin= 1.46D-08 ErrMax= 1.46D-08 EMaxC= 1.00D-01 BMatC= 3.45D-13 BMatP= 2.33D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.630D-05 0.655D-05 0.391D-04-0.604D-04-0.411D-03-0.715D-03 Coeff-Com: 0.264D-03 0.138D-03 0.278D-02 0.398D-02 0.967D-05-0.101D-01 Coeff-Com: -0.359D-01-0.739D-01 0.162D+00 0.294D+00 0.658D+00 Coeff: 0.630D-05 0.655D-05 0.391D-04-0.604D-04-0.411D-03-0.715D-03 Coeff: 0.264D-03 0.138D-03 0.278D-02 0.398D-02 0.967D-05-0.101D-01 Coeff: -0.359D-01-0.739D-01 0.162D+00 0.294D+00 0.658D+00 Gap= 0.061 Goal= None Shift= 0.000 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=7.31D-09 MaxDP=1.52D-07 DE=-5.46D-12 OVMax= 1.06D-06 SCF Done: E(UB+HF-LYP) = -1486.53520840 A.U. after 17 cycles Convg = 0.7312D-08 -V/T = 2.4793 S**2 = 0.7546 KE= 1.004876405086D+03 PE=-6.997960883029D+03 EE= 2.822293579085D+03 Annihilation of the first spin contaminant: S**2 before annihilation 0.7546, after 0.7500 Leave Link 502 at Sun Apr 13 00:23:14 2008, MaxMem= 1258291200 cpu: 180.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 172 NBasis= 172 NAE= 74 NBE= 73 NFC= 0 NFV= 0 NROrb= 172 NOA= 74 NOB= 73 NVA= 98 NVB= 99 **** Warning!!: The largest alpha MO coefficient is 0.12367085D+02 **** Warning!!: The smallest alpha delta epsilon is 0.61480561D-01 **** Warning!!: The largest beta MO coefficient is 0.12365816D+02 Leave Link 801 at Sun Apr 13 00:23:14 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 9. Will process 10 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2211 NPrTT= 12428 LenC2= 2195 LenP2D= 9385. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Sun Apr 13 00:23:22 2008, MaxMem= 1258291200 cpu: 17.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 9. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Sun Apr 13 00:23:23 2008, MaxMem= 1258291200 cpu: 0.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 9. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291126. G2DrvN: will do 10 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Sun Apr 13 00:24:39 2008, MaxMem= 1258291200 cpu: 282.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: UHF wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291126 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 303287223. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. CalDSu exits because no D1Ps are significant. There are 3 degrees of freedom in the 1st order CPHF. 3 vectors were produced by pass 0. AX will form 3 AO Fock derivatives at one time. 3 vectors were produced by pass 1. 3 vectors were produced by pass 2. 3 vectors were produced by pass 3. 3 vectors were produced by pass 4. 3 vectors were produced by pass 5. 3 vectors were produced by pass 6. 3 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. 3 vectors were produced by pass 11. 3 vectors were produced by pass 12. 3 vectors were produced by pass 13. 3 vectors were produced by pass 14. 3 vectors were produced by pass 15. 3 vectors were produced by pass 16. 3 vectors were produced by pass 17. 2 vectors were produced by pass 18. Inv2: IOpt= 1 Iter= 1 AM= 1.09D-15 Conv= 1.00D-12. Inverted reduced A of dimension 56 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.272531D+03 2 0.160649D+01 0.283573D+03 3 -0.268318D+01 0.967735D+00 0.273086D+03 Isotropic polarizability for W= 0.000000 276.40 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Sun Apr 13 00:26:06 2008, MaxMem= 1258291200 cpu: 310.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=1 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.25982 -10.34273 -4.34441 -4.30038 -4.30004 Alpha occ. eigenvalues -- -4.29671 -4.28699 -4.28637 -4.28615 -2.85607 Alpha occ. eigenvalues -- -2.84851 -2.84773 -2.80923 -2.80833 -2.80778 Alpha occ. eigenvalues -- -2.80714 -2.80644 -2.80608 -2.80500 -2.80384 Alpha occ. eigenvalues -- -2.80255 -2.79636 -2.79573 -2.79549 -2.79330 Alpha occ. eigenvalues -- -2.79321 -2.79274 -2.79259 -2.79251 -2.79234 Alpha occ. eigenvalues -- -1.17537 -0.57828 -0.47863 -0.47196 -0.46085 Alpha occ. eigenvalues -- -0.35621 -0.33947 -0.33813 -0.32691 -0.32677 Alpha occ. eigenvalues -- -0.32405 -0.31100 -0.30816 -0.30772 -0.30677 Alpha occ. eigenvalues -- -0.29582 -0.29577 -0.29152 -0.28770 -0.28695 Alpha occ. eigenvalues -- -0.28540 -0.27922 -0.27880 -0.27324 -0.27152 Alpha occ. eigenvalues -- -0.26953 -0.26695 -0.26640 -0.26493 -0.26222 Alpha occ. eigenvalues -- -0.26221 -0.26108 -0.25967 -0.25965 -0.25875 Alpha occ. eigenvalues -- -0.25804 -0.25738 -0.25515 -0.25217 -0.25197 Alpha occ. eigenvalues -- -0.24709 -0.20817 -0.20624 -0.14602 Alpha virt. eigenvalues -- -0.08454 -0.08073 -0.07507 -0.07277 -0.07235 Alpha virt. eigenvalues -- -0.02821 -0.02487 -0.00803 -0.00444 0.00406 Alpha virt. eigenvalues -- 0.01345 0.02050 0.02776 0.03028 0.03370 Alpha virt. eigenvalues -- 0.03605 0.04080 0.04249 0.05143 0.05266 Alpha virt. eigenvalues -- 0.05377 0.05955 0.06287 0.07167 0.07242 Alpha virt. eigenvalues -- 0.08188 0.08337 0.08558 0.09052 0.09633 Alpha virt. eigenvalues -- 0.09986 0.10407 0.10460 0.11807 0.12164 Alpha virt. eigenvalues -- 0.18921 0.19234 0.19877 0.22088 0.23518 Alpha virt. eigenvalues -- 0.24344 0.25026 0.26859 0.27454 0.27931 Alpha virt. eigenvalues -- 0.30475 0.30937 0.34075 0.39876 0.41455 Alpha virt. eigenvalues -- 0.54388 0.63711 0.64743 0.65753 0.67202 Alpha virt. eigenvalues -- 0.67612 0.67922 0.69276 0.69813 0.71080 Alpha virt. eigenvalues -- 0.73766 0.77391 0.78632 0.81975 0.82800 Alpha virt. eigenvalues -- 0.84468 0.86071 0.86973 0.87011 0.89776 Alpha virt. eigenvalues -- 0.90231 0.92046 0.93970 0.98666 1.02968 Alpha virt. eigenvalues -- 1.03195 1.04846 1.06544 1.08318 1.16759 Alpha virt. eigenvalues -- 1.17954 1.21827 1.25016 1.28640 1.29128 Alpha virt. eigenvalues -- 1.29503 1.31352 1.31722 1.32074 1.35432 Alpha virt. eigenvalues -- 1.55824 1.68382 1.80358 1.84189 2.21368 Alpha virt. eigenvalues -- 2.24448 2.36529 10.22471 Beta occ. eigenvalues -- -19.25899 -10.34089 -4.34183 -4.29985 -4.29949 Beta occ. eigenvalues -- -4.29613 -4.28663 -4.28586 -4.28565 -2.85297 Beta occ. eigenvalues -- -2.84634 -2.84514 -2.80836 -2.80797 -2.80768 Beta occ. eigenvalues -- -2.80719 -2.80554 -2.80506 -2.80400 -2.80398 Beta occ. eigenvalues -- -2.80180 -2.79598 -2.79509 -2.79487 -2.79310 Beta occ. eigenvalues -- -2.79283 -2.79244 -2.79227 -2.79198 -2.79185 Beta occ. eigenvalues -- -1.17344 -0.57498 -0.47496 -0.47084 -0.45389 Beta occ. eigenvalues -- -0.35151 -0.33801 -0.33711 -0.32486 -0.32336 Beta occ. eigenvalues -- -0.32067 -0.30966 -0.30677 -0.30597 -0.30417 Beta occ. eigenvalues -- -0.29523 -0.29519 -0.29137 -0.28683 -0.28465 Beta occ. eigenvalues -- -0.28400 -0.27844 -0.27778 -0.27136 -0.26984 Beta occ. eigenvalues -- -0.26917 -0.26550 -0.26524 -0.26415 -0.26167 Beta occ. eigenvalues -- -0.26061 -0.26004 -0.25890 -0.25864 -0.25718 Beta occ. eigenvalues -- -0.25686 -0.25680 -0.25224 -0.25122 -0.25084 Beta occ. eigenvalues -- -0.24683 -0.20514 -0.20323 Beta virt. eigenvalues -- -0.10029 -0.08013 -0.07679 -0.07076 -0.06945 Beta virt. eigenvalues -- -0.06927 -0.02204 -0.01932 -0.00631 -0.00310 Beta virt. eigenvalues -- 0.00959 0.01582 0.02101 0.02874 0.03189 Beta virt. eigenvalues -- 0.03568 0.03786 0.04191 0.04327 0.05277 Beta virt. eigenvalues -- 0.05402 0.05505 0.06140 0.06424 0.07264 Beta virt. eigenvalues -- 0.07332 0.08221 0.08332 0.08556 0.09300 Beta virt. eigenvalues -- 0.09979 0.10070 0.10469 0.10480 0.12193 Beta virt. eigenvalues -- 0.12526 0.19323 0.19702 0.20176 0.22218 Beta virt. eigenvalues -- 0.23746 0.24635 0.25309 0.27057 0.27745 Beta virt. eigenvalues -- 0.28167 0.30751 0.31092 0.34367 0.39978 Beta virt. eigenvalues -- 0.41716 0.54648 0.64125 0.64993 0.66032 Beta virt. eigenvalues -- 0.67356 0.67886 0.68157 0.69403 0.70021 Beta virt. eigenvalues -- 0.71293 0.73970 0.77536 0.78802 0.82254 Beta virt. eigenvalues -- 0.83049 0.84751 0.86241 0.87164 0.87261 Beta virt. eigenvalues -- 0.90141 0.90623 0.92367 0.94186 0.98839 Beta virt. eigenvalues -- 1.03212 1.03541 1.05167 1.06823 1.08652 Beta virt. eigenvalues -- 1.16946 1.18158 1.22158 1.25273 1.28904 Beta virt. eigenvalues -- 1.29360 1.29698 1.31545 1.31964 1.32244 Beta virt. eigenvalues -- 1.35780 1.55977 1.68568 1.80479 1.84356 Beta virt. eigenvalues -- 2.21527 2.24790 2.36686 10.22622 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 18.999433 -0.033947 -0.031167 -0.055763 0.061759 0.063066 2 Cu -0.033947 19.089488 -0.023469 -0.131087 -0.000671 -0.018675 3 Cu -0.031167 -0.023469 19.065305 -0.129329 0.078124 -0.023226 4 Cu -0.055763 -0.131087 -0.129329 19.246753 -0.085162 -0.120849 5 Cu 0.061759 -0.000671 0.078124 -0.085162 19.029592 -0.021956 6 Cu 0.063066 -0.018675 -0.023226 -0.120849 -0.021956 19.117297 7 Cu 0.060266 0.077275 0.000652 -0.083829 0.068503 -0.022339 8 C 0.011155 0.006426 0.006817 0.128440 0.020707 0.004108 9 O -0.000684 -0.000816 -0.000929 0.041806 -0.012763 -0.003384 7 8 9 1 Cu 0.060266 0.011155 -0.000684 2 Cu 0.077275 0.006426 -0.000816 3 Cu 0.000652 0.006817 -0.000929 4 Cu -0.083829 0.128440 0.041806 5 Cu 0.068503 0.020707 -0.012763 6 Cu -0.022339 0.004108 -0.003384 7 Cu 19.000747 0.021646 -0.012924 8 C 0.021646 5.136793 0.548888 9 O -0.012924 0.548888 7.541251 Mulliken atomic charges: 1 1 Cu -0.074119 2 Cu 0.035474 3 Cu 0.057223 4 Cu 0.189019 5 Cu -0.138133 6 Cu 0.025957 7 Cu -0.109996 8 C 0.115021 9 O -0.100446 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.074119 2 Cu 0.035474 3 Cu 0.057223 4 Cu 0.189019 5 Cu -0.138133 6 Cu 0.025957 7 Cu -0.109996 8 C 0.115021 9 O -0.100446 Sum of Mulliken charges= 0.00000 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Cu 0.074490 -0.024211 -0.025002 0.026294 0.005625 -0.007090 2 Cu -0.024211 0.118996 0.047228 -0.025100 -0.007581 0.059844 3 Cu -0.025002 0.047228 0.112329 -0.025723 0.000821 0.056879 4 Cu 0.026294 -0.025100 -0.025723 0.131014 0.013110 -0.023565 5 Cu 0.005625 -0.007581 0.000821 0.013110 0.084637 -0.012257 6 Cu -0.007090 0.059844 0.056879 -0.023565 -0.012257 0.188490 7 Cu 0.005871 0.000774 -0.009132 0.014568 0.010531 -0.012256 8 C -0.003912 -0.001289 -0.000580 -0.011103 -0.004930 -0.002615 9 O -0.000165 0.000044 -0.000018 -0.000162 -0.000283 0.000113 7 8 9 1 Cu 0.005871 -0.003912 -0.000165 2 Cu 0.000774 -0.001289 0.000044 3 Cu -0.009132 -0.000580 -0.000018 4 Cu 0.014568 -0.011103 -0.000162 5 Cu 0.010531 -0.004930 -0.000283 6 Cu -0.012256 -0.002615 0.000113 7 Cu 0.076928 -0.004584 -0.000327 8 C -0.004584 0.139263 -0.024017 9 O -0.000327 -0.024017 0.042256 Mulliken atomic spin densities: 1 1 Cu 0.051900 2 Cu 0.168705 3 Cu 0.156801 4 Cu 0.099333 5 Cu 0.089673 6 Cu 0.247542 7 Cu 0.082373 8 C 0.086233 9 O 0.017441 Sum of Mulliken spin densities= 1.00000 APT atomic charges: 1 1 Cu -0.012209 2 Cu -0.007882 3 Cu 0.010151 4 Cu -0.007787 5 Cu -0.061385 6 Cu -0.050926 7 Cu -0.027890 8 C 1.086180 9 O -0.928253 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.012209 2 Cu -0.007882 3 Cu 0.010151 4 Cu -0.007787 5 Cu -0.061385 6 Cu -0.050926 7 Cu -0.027890 8 C 1.086180 9 O -0.928253 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3207.5292 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2331 Y= 0.1847 Z= 1.5903 Tot= 1.6178 Quadrupole moment (field-independent basis, Debye-Ang): XX= -99.6788 YY= -104.0709 ZZ= -102.9073 XY= 2.9681 XZ= -1.8560 YZ= 4.1855 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.5402 YY= -1.8519 ZZ= -0.6883 XY= 2.9681 XZ= -1.8560 YZ= 4.1855 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -51.4935 YYY= 270.8501 ZZZ= -77.9968 XYY= -20.8296 XXY= 79.3352 XXZ= -21.5559 XZZ= -12.9498 YZZ= 89.3108 YYZ= -39.9114 XYZ= 9.4242 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1067.1871 YYYY= -1841.7639 ZZZZ= -1198.9314 XXXY= 81.0289 XXXZ= -42.6375 YYYX= 95.9210 YYYZ= 223.4495 ZZZX= -29.7924 ZZZY= 165.2251 XXYY= -447.8153 XXZZ= -361.8014 YYZZ= -513.0854 XXYZ= 50.4377 YYXZ= -43.1203 ZZXY= 41.8198 N-N= 1.684255690460D+03 E-N=-6.997960871996D+03 KE= 1.004876405086D+03 Exact polarizability: 272.531 1.606 283.573 -2.683 0.968 273.086 Approx polarizability: 599.432 9.121 620.549 -13.530 10.821 591.106 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Cu(63) 0.00000 0.00285 0.00102 0.00095 2 Cu(63) 0.00000 0.00279 0.00100 0.00093 3 Cu(63) 0.00000 0.00273 0.00097 0.00091 4 Cu(63) 0.00000 0.00065 0.00023 0.00022 5 Cu(63) 0.00000 0.00206 0.00074 0.00069 6 Cu(63) 0.00000 0.00409 0.00146 0.00136 7 Cu(63) 0.00000 0.00206 0.00074 0.00069 8 C(13) 0.09677 108.78773 38.81817 36.28768 9 O(17) 0.01262 -7.65079 -2.72999 -2.55203 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.010045 0.025949 -0.015904 2 Atom 0.118011 -0.059679 -0.058332 3 Atom -0.055812 -0.043484 0.099296 4 Atom -0.007333 -0.014294 0.021627 5 Atom -0.023636 -0.024417 0.048053 6 Atom -0.050293 0.102327 -0.052033 7 Atom 0.054907 -0.027537 -0.027371 8 Atom -0.022096 0.060254 -0.038158 9 Atom -0.032495 0.067248 -0.034752 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.011502 -0.002907 0.008349 2 Atom 0.010151 0.011850 -0.019851 3 Atom -0.030673 -0.040994 0.032255 4 Atom -0.008748 0.033258 -0.014585 5 Atom -0.010119 -0.023486 0.009435 6 Atom 0.056072 0.022973 0.037268 7 Atom -0.003954 0.002613 -0.007061 8 Atom 0.052574 0.008522 0.048233 9 Atom 0.086137 0.050950 0.081383 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.0206 -2.917 -1.041 -0.973 0.5208 -0.2737 0.8086 1 Cu(63) Bbb -0.0098 -1.393 -0.497 -0.465 0.8132 -0.1290 -0.5675 Bcc 0.0304 4.310 1.538 1.438 0.2596 0.9531 0.1554 Baa -0.0801 -11.339 -4.046 -3.782 -0.0782 0.7148 0.6949 2 Cu(63) Bbb -0.0392 -5.544 -1.978 -1.849 -0.0090 -0.6975 0.7165 Bcc 0.1192 16.883 6.024 5.631 0.9969 0.0498 0.0610 Baa -0.0818 -11.587 -4.135 -3.865 0.8102 0.5807 0.0800 3 Cu(63) Bbb -0.0370 -5.238 -1.869 -1.747 -0.5248 0.7794 -0.3423 Bcc 0.1188 16.825 6.004 5.612 -0.2611 0.2354 0.9362 Baa -0.0292 -4.130 -1.474 -1.378 0.8268 -0.0620 -0.5591 4 Cu(63) Bbb -0.0189 -2.674 -0.954 -0.892 0.1972 0.9628 0.1848 Bcc 0.0481 6.803 2.428 2.269 0.5269 -0.2630 0.8082 Baa -0.0357 -5.053 -1.803 -1.686 0.7969 0.5832 0.1578 5 Cu(63) Bbb -0.0211 -2.993 -1.068 -0.998 -0.5277 0.7991 -0.2881 Bcc 0.0568 8.046 2.871 2.684 -0.2941 0.1463 0.9445 Baa -0.0758 -10.737 -3.831 -3.582 0.8107 -0.1360 -0.5694 6 Cu(63) Bbb -0.0548 -7.762 -2.770 -2.589 0.4938 -0.3635 0.7899 Bcc 0.1307 18.499 6.601 6.171 0.3145 0.9216 0.2275 Baa -0.0345 -4.888 -1.744 -1.631 0.0111 0.7138 0.7003 7 Cu(63) Bbb -0.0207 -2.927 -1.045 -0.976 -0.0612 -0.6985 0.7129 Bcc 0.0552 7.816 2.789 2.607 0.9981 -0.0508 0.0359 Baa -0.0640 -8.593 -3.066 -2.866 0.4523 -0.4824 0.7502 8 C(13) Bbb -0.0378 -5.073 -1.810 -1.692 0.8028 -0.1461 -0.5780 Bcc 0.1018 13.666 4.876 4.558 0.3885 0.8637 0.3212 Baa -0.0849 6.141 2.191 2.048 0.7965 -0.1358 -0.5892 9 O(17) Bbb -0.0785 5.681 2.027 1.895 0.3984 -0.6152 0.6803 Bcc 0.1634 -11.823 -4.219 -3.944 0.4549 0.7766 0.4359 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sun Apr 13 00:26:08 2008, MaxMem= 1258291200 cpu: 2.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 9.17063879D-02 7.26600408D-02 6.25655655D-01 Polarizability= 2.72531429D+02 1.60649160D+00 2.83572659D+02 -2.68317833D+00 9.67735025D-01 2.73086048D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000064413 -0.000064347 -0.000207722 2 29 -0.000098336 0.000073409 0.000064779 3 29 0.000183831 0.000010887 0.000009590 4 29 0.000054039 0.000129699 0.000123005 5 29 -0.000037625 0.000081265 -0.000113628 6 29 0.000057471 0.000067919 -0.000047502 7 29 -0.000151849 0.000029086 -0.000103026 8 6 0.000164287 -0.003188436 0.001483562 9 8 -0.000107404 0.002860519 -0.001209059 ------------------------------------------------------------------- Cartesian Forces: Max 0.003188436 RMS 0.000907891 Leave Link 716 at Sun Apr 13 00:26:08 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=3 IStep= 2. Max difference between analytic and numerical Dipole moment IMax= 2 EMax= 8.45D-04 Max difference between off-diagonal Polarizability IMax= 1 JMax= 3 EMax= 5.14D-02 Max difference between analytic and numerical Polarizability IMax= 6 EMax= 2.71D-01 Max difference between off-diagonal HyperPolarizability IMax= 2 JMax= 2 KMax= 3 EMax= 1.02D+01 Final packed hyperpolarizability: K= 1 block: 1 1 -0.104118D+04 K= 2 block: 1 2 1 0.100838D+03 2 0.475251D+03 0.143754D+04 K= 3 block: 1 2 3 1 0.829679D+02 2 0.545323D+03 0.160352D+03 3 0.458623D+03 0.146997D+03 -0.831818D+03 Max difference between off-diagonal Polar Derivs IMax= 2 JMax= 3 KMax= 17 EMax= 5.51D-02 Leave Link 106 at Sun Apr 13 00:26:08 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole = 9.61014272D-02 7.06921964D-02 1.12135140D-01 Polarizability= 2.72252633D+02 2.52013901D+00 2.83551057D+02 -1.93544625D+00 1.14479120D+00 2.70696811D+02 HyperPolar =-1.04118195D+03 1.00837603D+02 4.75250813D+02 1.43754089D+03 8.29679143D+01 5.45322661D+02 1.60351846D+02 4.58623292D+02 1.46996641D+02 -8.31817571D+02 Full mass-weighted force constant matrix: Low frequencies --- -4.1373 -0.0005 -0.0002 -0.0001 3.0827 4.9511 Low frequencies --- 23.7495 29.9980 41.4960 Diagonal vibrational polarizability: 21.5953125 34.3533694 20.0229896 Diagonal vibrational hyperpolarizability: -724.7323294 171.6204646 -614.4592718 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering activities (A**4/AMU), depolarization ratios for plane and unpolarized incident light, reduced masses (AMU), force constants (mDyne/A), and normal coordinates: 1 2 3 A A A Frequencies -- 23.7310 29.9679 41.4908 Red. masses -- 20.6884 27.3755 33.4982 Frc consts -- 0.0069 0.0145 0.0340 IR Inten -- 0.4684 0.0156 1.0791 Raman Activ -- 3.1725 4.4487 4.9533 Depolar (P) -- 0.7488 0.7407 0.3502 Depolar (U) -- 0.8564 0.8510 0.5187 Atom AN X Y Z X Y Z X Y Z 1 29 -0.01 0.02 0.00 -0.03 0.00 -0.03 -0.01 0.31 -0.14 2 29 0.02 -0.04 0.00 -0.09 0.08 -0.06 0.06 -0.08 0.00 3 29 0.01 0.04 -0.03 -0.02 0.06 -0.12 -0.02 -0.09 0.13 4 29 -0.11 0.03 0.09 0.02 0.04 0.00 0.13 0.15 0.14 5 29 0.00 -0.09 0.19 0.21 0.11 0.00 -0.14 -0.12 0.17 6 29 0.03 -0.01 -0.01 0.07 -0.26 0.16 -0.04 0.15 -0.09 7 29 -0.14 0.11 -0.06 -0.01 0.13 0.20 0.17 -0.20 -0.08 8 6 0.18 -0.05 -0.15 -0.21 -0.26 -0.22 -0.12 -0.14 -0.05 9 8 0.69 -0.17 -0.57 -0.47 -0.40 -0.46 -0.49 -0.38 -0.46 4 5 6 A A A Frequencies -- 47.9191 80.7807 100.0017 Red. masses -- 54.7737 61.8393 42.9462 Frc consts -- 0.0741 0.2378 0.2530 IR Inten -- 0.3562 0.0853 0.6240 Raman Activ -- 3.3247 10.2767 7.6944 Depolar (P) -- 0.7396 0.0013 0.4199 Depolar (U) -- 0.8503 0.0026 0.5914 Atom AN X Y Z X Y Z X Y Z 1 29 -0.37 0.09 0.25 -0.03 0.54 -0.15 0.03 0.06 -0.02 2 29 0.31 -0.20 0.25 0.20 -0.19 0.20 -0.18 -0.02 0.10 3 29 -0.10 0.15 -0.38 0.09 -0.16 0.26 0.13 -0.06 -0.16 4 29 0.10 0.01 -0.04 -0.09 -0.20 -0.08 0.22 -0.17 0.40 5 29 -0.21 -0.12 -0.26 0.11 0.03 -0.40 -0.13 0.28 -0.07 6 29 -0.06 0.03 0.02 0.10 -0.10 0.18 -0.17 -0.15 -0.20 7 29 0.25 0.08 0.24 -0.39 0.10 -0.04 0.04 0.21 -0.17 8 6 0.29 -0.06 -0.21 0.07 -0.01 0.11 0.18 -0.29 0.33 9 8 0.10 -0.05 -0.14 0.01 -0.06 0.03 0.11 -0.35 0.23 7 8 9 A A A Frequencies -- 104.3881 105.8083 114.4843 Red. masses -- 61.7052 53.5770 54.4209 Frc consts -- 0.3962 0.3534 0.4203 IR Inten -- 0.0548 0.1087 0.6972 Raman Activ -- 2.1800 10.0527 10.1199 Depolar (P) -- 0.7389 0.4155 0.5818 Depolar (U) -- 0.8498 0.5871 0.7356 Atom AN X Y Z X Y Z X Y Z 1 29 0.34 -0.06 -0.21 0.20 0.00 0.34 0.14 0.18 0.25 2 29 0.25 -0.09 0.16 -0.07 0.04 0.05 -0.04 -0.04 0.14 3 29 -0.06 0.07 -0.29 0.09 0.00 -0.03 0.29 -0.30 -0.06 4 29 -0.46 0.11 0.29 0.14 0.45 0.06 -0.16 0.08 -0.26 5 29 0.00 0.35 -0.10 -0.24 -0.13 -0.21 0.12 0.06 0.16 6 29 -0.08 0.01 0.08 0.05 -0.38 0.15 -0.32 -0.12 -0.42 7 29 0.02 -0.40 0.09 -0.16 -0.11 -0.29 0.01 0.04 0.26 8 6 -0.10 0.05 0.03 -0.02 0.28 -0.11 -0.12 0.21 -0.18 9 8 0.06 0.03 -0.08 -0.09 0.25 -0.17 -0.07 0.24 -0.14 10 11 12 A A A Frequencies -- 116.1867 130.8068 134.9569 Red. masses -- 61.8604 60.6042 62.9214 Frc consts -- 0.4920 0.6110 0.6752 IR Inten -- 0.0516 0.0616 0.0055 Raman Activ -- 10.7496 11.0285 0.1010 Depolar (P) -- 0.7332 0.7384 0.7367 Depolar (U) -- 0.8461 0.8495 0.8484 Atom AN X Y Z X Y Z X Y Z 1 29 -0.20 -0.03 0.04 0.10 0.31 0.06 -0.23 0.04 0.16 2 29 0.40 0.38 -0.36 -0.13 0.34 0.12 0.03 -0.33 -0.30 3 29 0.26 -0.40 -0.18 0.19 0.28 -0.15 0.36 0.28 0.02 4 29 0.07 -0.04 0.06 -0.22 -0.41 -0.25 0.04 -0.02 -0.04 5 29 -0.29 0.13 0.12 -0.25 -0.10 0.18 0.26 0.16 0.08 6 29 0.03 0.05 0.15 0.09 -0.18 0.16 -0.46 0.07 0.32 7 29 -0.25 -0.07 0.14 0.22 -0.18 -0.15 -0.01 -0.19 -0.24 8 6 -0.01 -0.06 0.09 -0.02 -0.16 0.00 0.01 -0.01 -0.01 9 8 -0.02 -0.07 0.08 0.04 -0.12 0.08 0.00 0.00 0.00 13 14 15 A A A Frequencies -- 143.4826 158.8460 199.0263 Red. masses -- 61.4218 49.1718 17.0831 Frc consts -- 0.7450 0.7310 0.3987 IR Inten -- 0.0256 3.3884 3.8541 Raman Activ -- 6.2546 20.0546 6.6973 Depolar (P) -- 0.7495 0.6479 0.7409 Depolar (U) -- 0.8568 0.7864 0.8512 Atom AN X Y Z X Y Z X Y Z 1 29 0.22 -0.04 -0.16 -0.14 -0.16 -0.15 0.02 0.00 -0.02 2 29 0.13 0.01 0.34 0.34 -0.02 0.03 0.02 0.10 0.01 3 29 -0.29 -0.01 -0.21 -0.08 0.05 0.34 -0.03 -0.09 0.00 4 29 0.47 -0.06 -0.32 -0.10 0.01 -0.14 -0.12 0.02 0.08 5 29 0.01 0.10 0.30 -0.18 0.24 0.13 0.08 -0.10 0.00 6 29 -0.27 0.04 0.18 -0.09 -0.40 -0.05 -0.11 0.01 0.07 7 29 -0.30 -0.04 -0.10 0.23 0.19 -0.15 0.05 0.08 -0.09 8 6 0.14 -0.01 -0.10 0.21 0.34 0.22 0.71 -0.15 -0.55 9 8 -0.03 0.01 0.01 -0.12 0.09 -0.20 -0.22 0.04 0.18 16 17 18 A A A Frequencies -- 205.9705 210.9625 211.5018 Red. masses -- 52.0602 29.2070 60.7112 Frc consts -- 1.3013 0.7659 1.6001 IR Inten -- 0.0281 1.2559 0.1309 Raman Activ -- 64.0144 1.1998 22.1592 Depolar (P) -- 0.0126 0.5367 0.1132 Depolar (U) -- 0.0250 0.6985 0.2034 Atom AN X Y Z X Y Z X Y Z 1 29 0.26 0.21 0.33 -0.02 0.01 0.03 -0.20 -0.13 -0.24 2 29 0.26 0.07 -0.38 -0.07 -0.22 -0.06 0.13 0.34 0.20 3 29 -0.42 0.18 0.10 0.06 0.16 0.04 0.24 0.39 0.15 4 29 0.03 -0.13 0.06 0.05 -0.01 -0.05 0.12 0.07 0.13 5 29 0.06 -0.04 -0.03 -0.16 0.21 0.14 0.12 -0.25 -0.11 6 29 -0.15 -0.13 -0.21 0.26 -0.03 -0.15 -0.19 -0.14 -0.32 7 29 -0.06 -0.04 0.06 -0.18 -0.12 0.11 -0.25 -0.24 0.15 8 6 -0.03 -0.32 0.05 0.58 -0.13 -0.49 0.10 -0.13 -0.02 9 8 0.12 -0.23 0.22 -0.20 0.05 0.16 0.01 -0.09 0.10 19 20 21 A A A Frequencies -- 227.7130 341.1053 1940.0518 Red. masses -- 13.9278 19.0909 13.3851 Frc consts -- 0.4255 1.3087 29.6823 IR Inten -- 20.7804 0.2173 1406.0812 Raman Activ -- 54.4406 20.5131 1698.4029 Depolar (P) -- 0.5023 0.6985 0.6967 Depolar (U) -- 0.6687 0.8225 0.8212 Atom AN X Y Z X Y Z X Y Z 1 29 -0.03 0.02 -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 2 29 0.04 -0.02 0.03 -0.02 -0.01 0.02 0.00 0.00 0.00 3 29 0.01 -0.02 0.05 0.02 -0.02 -0.01 0.00 0.00 0.00 4 29 0.01 0.08 -0.01 -0.09 0.25 -0.19 0.00 0.00 0.00 5 29 -0.03 0.04 0.02 0.00 0.00 0.00 0.00 0.00 0.00 6 29 0.00 -0.05 0.02 0.01 0.01 0.01 0.00 0.00 0.00 7 29 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 8 6 -0.55 -0.46 -0.56 0.28 -0.41 0.48 -0.11 0.72 -0.34 9 8 0.24 0.05 0.29 0.12 -0.55 0.31 0.08 -0.53 0.24 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 29 and mass 62.92960 Atom 2 has atomic number 29 and mass 62.92960 Atom 3 has atomic number 29 and mass 62.92960 Atom 4 has atomic number 29 and mass 62.92960 Atom 5 has atomic number 29 and mass 62.92960 Atom 6 has atomic number 29 and mass 62.92960 Atom 7 has atomic number 29 and mass 62.92960 Atom 8 has atomic number 6 and mass 12.00000 Atom 9 has atomic number 8 and mass 15.99491 Molecular mass: 468.50211 amu. Principal axes and moments of inertia in atomic units: 1 2 3 EIGENVALUES -- 4897.817075172.229795413.66429 X 0.24152 0.79163 0.56124 Y 0.96400 -0.12945 -0.23225 Z 0.11120 -0.59713 0.79440 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.01768 0.01675 0.01600 Rotational constants (GHZ): 0.36848 0.34893 0.33337 Zero-point vibrational energy 27927.9 (Joules/Mol) 6.67493 (Kcal/Mol) Warning -- explicit consideration of 20 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 34.14 43.12 59.70 68.94 116.23 (Kelvin) 143.88 150.19 152.23 164.72 167.17 188.20 194.17 206.44 228.54 286.35 296.35 303.53 304.30 327.63 490.77 2791.30 Zero-point correction= 0.010637 (Hartree/Particle) Thermal correction to Energy= 0.027019 Thermal correction to Enthalpy= 0.027964 Thermal correction to Gibbs Free Energy= -0.040509 Sum of electronic and zero-point Energies= -1486.523875 Sum of electronic and thermal Energies= -1486.507493 Sum of electronic and thermal Enthalpies= -1486.506548 Sum of electronic and thermal Free Energies= -1486.575021 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 16.955 43.935 144.113 Electronic 0.000 0.000 1.377 Translational 0.889 2.981 44.322 Rotational 0.889 2.981 33.283 Vibrational 15.177 37.973 65.131 Vibration 1 0.593 1.985 6.295 Vibration 2 0.594 1.984 5.832 Vibration 3 0.594 1.981 5.187 Vibration 4 0.595 1.978 4.901 Vibration 5 0.600 1.962 3.872 Vibration 6 0.604 1.949 3.454 Vibration 7 0.605 1.946 3.371 Vibration 8 0.605 1.945 3.344 Vibration 9 0.607 1.937 3.191 Vibration 10 0.608 1.936 3.163 Vibration 11 0.612 1.923 2.934 Vibration 12 0.613 1.918 2.874 Vibration 13 0.616 1.910 2.757 Vibration 14 0.621 1.893 2.563 Vibration 15 0.637 1.841 2.142 Vibration 16 0.640 1.831 2.079 Vibration 17 0.643 1.824 2.035 Vibration 18 0.643 1.823 2.031 Vibration 19 0.651 1.799 1.897 Vibration 20 0.721 1.593 1.207 Q Log10(Q) Ln(Q) Total Bot 0.429542D+19 18.633005 42.904080 Total V=0 0.335551D+24 23.525758 54.170060 Vib (Bot) 0.128535D+04 3.109021 7.158784 Vib (Bot) 1 0.872748D+01 0.940889 2.166477 Vib (Bot) 2 0.690888D+01 0.839407 1.932807 Vib (Bot) 3 0.498615D+01 0.697765 1.606664 Vib (Bot) 4 0.431485D+01 0.634966 1.462063 Vib (Bot) 5 0.254910D+01 0.406388 0.935742 Vib (Bot) 6 0.205224D+01 0.312228 0.718932 Vib (Bot) 7 0.196430D+01 0.293208 0.675137 Vib (Bot) 8 0.193738D+01 0.287215 0.661336 Vib (Bot) 9 0.178726D+01 0.252187 0.580681 Vib (Bot) 10 0.176040D+01 0.245612 0.565541 Vib (Bot) 11 0.155821D+01 0.192625 0.443536 Vib (Bot) 12 0.150869D+01 0.178599 0.411239 Vib (Bot) 13 0.141580D+01 0.151002 0.347694 Vib (Bot) 14 0.127316D+01 0.104884 0.241505 Vib (Bot) 15 0.100223D+01 0.000966 0.002224 Vib (Bot) 16 0.965839D+00 -0.015095 -0.034759 Vib (Bot) 17 0.941113D+00 -0.026358 -0.060692 Vib (Bot) 18 0.938509D+00 -0.027561 -0.063463 Vib (Bot) 19 0.865803D+00 -0.062581 -0.144098 Vib (Bot) 20 0.543982D+00 -0.264415 -0.608839 Vib (V=0) 0.100409D+09 8.001773 18.424764 Vib (V=0) 1 0.924179D+01 0.965756 2.223736 Vib (V=0) 2 0.742694D+01 0.870810 2.005115 Vib (V=0) 3 0.551115D+01 0.741243 1.706774 Vib (V=0) 4 0.484373D+01 0.685180 1.577684 Vib (V=0) 5 0.309768D+01 0.491036 1.130653 Vib (V=0) 6 0.261227D+01 0.417018 0.960220 Vib (V=0) 7 0.252694D+01 0.402595 0.927009 Vib (V=0) 8 0.250086D+01 0.398089 0.916634 Vib (V=0) 9 0.235588D+01 0.372153 0.856914 Vib (V=0) 10 0.233003D+01 0.367362 0.845881 Vib (V=0) 11 0.213646D+01 0.329695 0.759151 Vib (V=0) 12 0.208938D+01 0.320018 0.736868 Vib (V=0) 13 0.200149D+01 0.301354 0.693894 Vib (V=0) 14 0.186783D+01 0.271336 0.624775 Vib (V=0) 15 0.162003D+01 0.209522 0.482442 Vib (V=0) 16 0.158759D+01 0.200737 0.462215 Vib (V=0) 17 0.156569D+01 0.194706 0.448326 Vib (V=0) 18 0.156339D+01 0.194067 0.446857 Vib (V=0) 19 0.149981D+01 0.176035 0.405337 Vib (V=0) 20 0.123886D+01 0.093023 0.214193 Electronic 0.200000D+01 0.301030 0.693147 Translational 0.398586D+09 8.600522 19.803435 Rotational 0.419211D+07 6.622432 15.248714 Cu7CO03 IR Spectrum 1 9 3 22221111111111 4 4 2110954331100084432 0 1 8216993516464018104 X X XXX XX XXXXXXXXX X X X X X X X X X X X X X X X X X X X X Cu7CO03 Raman Spectrum 1 9 3 22221111111111 4 4 2110954331100084432 0 1 8216993516464018104 X X XXXXXXXXXXXXXXXXXXX X X X X X X X X X X X X X X X X X X X ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000044876 -0.000010668 -0.000093450 2 29 -0.000013818 0.000031977 0.000056090 3 29 0.000091944 0.000024671 0.000019978 4 29 -0.000074764 -0.000165537 0.000005597 5 29 0.000012903 -0.000010220 -0.000029151 6 29 0.000005288 0.000089197 -0.000032827 7 29 -0.000053779 -0.000015308 0.000010358 8 6 0.000067752 0.000226127 0.000043861 9 8 0.000009350 -0.000170239 0.000019545 ------------------------------------------------------------------- Cartesian Forces: Max 0.000226127 RMS 0.000076550 Force constants in Cartesian coordinates: 1 2 3 4 5 1 0.275848D-01 2 0.113210D-01 0.201509D-01 3 0.156634D-01 0.148092D-01 0.334752D-01 4 0.250292D-03 -0.509044D-03 -0.176482D-02 0.327858D-01 5 -0.989250D-03 -0.221661D-02 -0.792714D-02 0.118642D-01 0.443065D-01 6 -0.576513D-02 -0.939069D-02 -0.268238D-01 -0.922200D-02 0.798570D-02 7 -0.242625D-01 -0.630889D-02 -0.128202D-01 -0.141973D-01 0.172324D-02 8 -0.425272D-02 -0.268379D-03 -0.135745D-02 0.375970D-02 0.133147D-02 9 -0.916480D-02 -0.221743D-02 -0.416577D-02 0.115207D-01 -0.623399D-03 10 -0.206287D-02 -0.264187D-02 -0.940256D-03 0.809942D-03 -0.123864D-02 11 -0.580344D-02 -0.122503D-01 -0.603504D-02 -0.311007D-02 -0.670323D-02 12 -0.250082D-03 -0.146578D-02 -0.102723D-02 0.394741D-02 0.107395D-01 13 0.785589D-03 -0.583039D-03 -0.704155D-03 0.614638D-03 0.569581D-02 14 0.580473D-03 -0.601856D-03 0.630446D-04 0.165328D-02 -0.276917D-01 15 0.862361D-03 -0.429345D-03 -0.716488D-03 0.193984D-03 -0.732008D-02 16 -0.244046D-02 -0.168359D-03 -0.592617D-03 -0.165846D-01 -0.165517D-01 17 -0.339195D-03 -0.102453D-02 -0.695260D-03 -0.134093D-01 -0.668526D-02 18 -0.548229D-03 -0.457845D-03 -0.267275D-02 -0.421308D-02 -0.398804D-02 19 -0.665677D-03 -0.129227D-03 0.518777D-03 -0.220957D-02 -0.258689D-03 20 -0.284478D-03 -0.494579D-03 0.640977D-03 -0.655320D-03 -0.206000D-02 21 -0.126574D-02 -0.263517D-03 0.644329D-03 0.882955D-03 0.164614D-03 22 0.127060D-02 -0.173125D-02 0.122700D-02 -0.237033D-02 -0.366081D-03 23 0.351901D-05 -0.518912D-02 0.129464D-02 -0.309903D-02 0.175765D-02 24 0.803636D-03 -0.124127D-02 0.206467D-02 -0.808104D-03 0.420550D-03 25 -0.459825D-03 0.750712D-03 -0.587137D-03 0.901162D-03 0.121109D-03 26 -0.235889D-03 0.189445D-02 -0.793011D-03 0.350560D-02 -0.203876D-02 27 -0.335433D-03 0.656653D-03 -0.778108D-03 -0.537075D-03 0.548275D-03 6 7 8 9 10 6 0.417193D-01 7 0.147191D-01 0.477653D-01 8 -0.259345D-02 0.291499D-02 0.468448D-01 9 -0.482642D-02 -0.236526D-02 0.115490D-01 0.240787D-01 10 0.202297D-02 -0.473116D-02 0.991174D-02 -0.774092D-03 0.385925D-01 11 0.108764D-01 0.104806D-01 -0.102391D-01 0.216479D-02 -0.194941D-01 12 -0.827651D-02 -0.238960D-02 0.422408D-02 0.935094D-03 0.118347D-01 13 0.539096D-03 -0.234874D-02 0.386987D-03 0.608280D-03 -0.248034D-02 14 -0.589048D-02 0.704739D-03 -0.236947D-02 -0.552681D-03 0.136482D-02 15 -0.535647D-03 -0.285812D-03 -0.115403D-03 -0.181507D-02 0.362085D-02 16 -0.213500D-02 0.215254D-02 -0.280642D-03 -0.585736D-03 -0.242773D-02 17 -0.185235D-02 0.835403D-03 -0.118963D-01 -0.142748D-01 -0.402063D-03 18 0.156807D-02 0.515379D-03 -0.181931D-01 -0.121019D-01 -0.602601D-02 19 -0.301649D-04 -0.442971D-02 -0.132487D-01 0.172523D-02 -0.186245D-01 20 0.483023D-03 -0.105319D-01 -0.229933D-01 0.347090D-02 -0.369944D-02 21 -0.228147D-02 0.238200D-02 0.662087D-02 -0.191954D-03 0.231444D-02 22 -0.860662D-03 0.381910D-03 0.765135D-03 -0.940254D-03 -0.102812D-01 23 -0.236850D-03 0.110444D-02 0.914714D-03 -0.337984D-02 0.177316D-01 24 -0.251741D-03 -0.399517D-03 -0.626934D-03 -0.209805D-02 -0.112711D-01 25 0.731839D-03 -0.330382D-03 0.434739D-04 -0.241029D-04 0.120538D-02 26 0.618687D-03 -0.922636D-03 -0.132433D-02 0.386347D-02 -0.153205D-02 27 -0.291763D-03 0.643970D-03 0.492410D-03 0.185327D-03 -0.781456D-03 11 12 13 14 15 11 0.779463D-01 12 -0.382910D-01 0.589253D-01 13 0.697115D-03 0.676417D-02 0.259237D-01 14 -0.120594D-02 -0.750727D-02 -0.164319D-01 0.353939D-01 15 -0.393434D-02 -0.148237D-01 -0.880385D-02 0.136729D-01 0.200043D-01 16 0.159687D-02 -0.648822D-02 -0.227092D-01 0.129566D-01 0.282738D-02 17 -0.407696D-03 -0.814504D-04 0.923492D-02 -0.436886D-02 -0.832789D-03 18 0.275851D-02 -0.726359D-02 0.896934D-03 0.151513D-03 0.963305D-03 19 -0.686978D-03 -0.131440D-02 -0.420282D-03 -0.399717D-03 0.366159D-03 20 0.185750D-03 -0.102097D-02 0.974732D-03 0.590663D-03 -0.345454D-03 21 -0.110832D-02 -0.259879D-03 0.228492D-04 0.652454D-03 -0.347977D-03 22 0.109703D-01 -0.956212D-02 0.850658D-03 -0.764203D-03 0.273905D-02 23 -0.384708D-01 0.327020D-01 0.175652D-02 -0.906043D-03 -0.288027D-02 24 0.235377D-01 -0.266214D-01 0.832110D-03 -0.116056D-02 -0.363157D-02 25 0.534964D-02 -0.254182D-02 -0.215963D-03 0.335933D-03 -0.152013D-02 26 -0.885507D-02 0.700936D-03 -0.173116D-02 0.115929D-02 0.218481D-02 27 0.100313D-01 -0.158800D-02 -0.155438D-03 0.571116D-03 0.902851D-03 16 17 18 19 20 16 0.458685D-01 17 0.508201D-02 0.261491D-01 18 -0.233835D-02 0.116743D-01 0.407177D-01 19 -0.431568D-02 -0.212961D-02 0.124530D-01 0.337082D-01 20 -0.278555D-02 -0.850200D-03 0.746898D-02 0.168685D-01 0.253293D-01 21 0.983314D-02 0.413515D-02 -0.208842D-01 -0.135997D-01 -0.102080D-01 22 0.109376D-02 0.163237D-02 -0.144024D-02 -0.493732D-02 -0.322086D-03 23 0.163430D-02 0.168949D-02 0.225466D-02 -0.247445D-02 -0.188207D-03 24 -0.148782D-02 0.214852D-02 -0.604495D-03 0.125386D-02 -0.100093D-02 25 -0.637032D-03 -0.504517D-03 0.700578D-03 0.189451D-02 0.435497D-03 26 -0.148348D-02 -0.260577D-02 -0.166898D-02 0.245882D-02 0.480643D-03 27 0.967213D-03 -0.221327D-03 0.277826D-03 -0.137275D-02 0.511472D-03 21 22 23 24 25 21 0.223664D-01 22 -0.598203D-03 0.383291D-01 23 0.115318D-02 -0.127548D+00 0.814566D+00 24 0.148670D-02 0.635021D-01 -0.378393D+00 0.198720D+00 25 0.282848D-04 -0.243371D-01 0.110891D+00 -0.524251D-01 0.219793D-01 26 -0.114643D-02 0.117364D+00 -0.774173D+00 0.356316D+00 -0.117423D+00 27 -0.532002D-03 -0.540667D-01 0.347485D+00 -0.169064D+00 0.556376D-01 26 27 26 0.785463D+00 27 -0.360075D+00 0.170888D+00 Leave Link 716 at Sun Apr 13 00:26:09 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000161302 RMS 0.000038554 Search for a local minimum. Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. Eigenvalues --- 0.00013 0.00273 0.00328 0.00525 0.00639 Eigenvalues --- 0.01172 0.01220 0.01537 0.01642 0.01688 Eigenvalues --- 0.01815 0.01847 0.02057 0.02273 0.02497 Eigenvalues --- 0.02847 0.02865 0.02958 0.03255 0.08737 Eigenvalues --- 0.970741000.000001000.000001000.000001000.00000 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 --- 1000.000001000.000001000.00000 Angle between quadratic step and forces= 70.73 degrees. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00999895 RMS(Int)= 0.00014277 Iteration 2 RMS(Cart)= 0.00009130 RMS(Int)= 0.00006352 Iteration 3 RMS(Cart)= 0.00000004 RMS(Int)= 0.00006352 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.65857 -0.00006 0.00000 -0.00417 -0.00421 4.65436 R2 4.66298 -0.00005 0.00000 -0.00517 -0.00515 4.65784 R3 4.87063 0.00000 0.00000 0.01023 0.01024 4.88087 R4 4.76401 -0.00001 0.00000 0.00448 0.00444 4.76845 R5 4.87726 0.00003 0.00000 0.00343 0.00344 4.88071 R6 4.66011 0.00000 0.00000 0.00007 0.00010 4.66020 R7 4.70214 -0.00003 0.00000 -0.00414 -0.00411 4.69804 R8 4.88613 0.00001 0.00000 -0.00521 -0.00521 4.88091 R9 4.69724 -0.00002 0.00000 0.00003 0.00001 4.69724 R10 4.66344 0.00002 0.00000 -0.00013 -0.00012 4.66332 R11 4.79469 0.00003 0.00000 -0.00313 -0.00314 4.79155 R12 5.06421 0.00004 0.00000 0.00983 0.00983 5.07404 R13 4.79043 0.00003 0.00000 -0.00056 -0.00056 4.78987 R14 3.65100 0.00002 0.00000 0.00012 0.00012 3.65112 R15 4.68292 0.00001 0.00000 0.00126 0.00127 4.68419 R16 4.68334 0.00002 0.00000 0.00154 0.00152 4.68486 R17 2.21776 0.00016 0.00000 0.00024 0.00024 2.21800 A1 2.03718 0.00001 0.00000 0.00187 0.00188 2.03906 A2 1.94259 0.00000 0.00000 0.00255 0.00253 1.94512 A3 1.88973 0.00000 0.00000 -0.00271 -0.00273 1.88700 A4 1.94275 0.00000 0.00000 0.00156 0.00153 1.94428 A5 2.03159 0.00002 0.00000 0.00670 0.00670 2.03828 A6 1.88777 0.00000 0.00000 -0.00123 -0.00122 1.88655 A7 1.92570 -0.00002 0.00000 -0.00173 -0.00173 1.92397 A8 1.78235 -0.00003 0.00000 -0.00504 -0.00504 1.77731 A9 1.92438 0.00000 0.00000 0.00145 0.00143 1.92581 A10 2.07297 -0.00002 0.00000 -0.01114 -0.01121 2.06176 A11 1.82071 -0.00001 0.00000 -0.00072 -0.00073 1.81999 A12 2.61209 -0.00002 0.00000 -0.01033 -0.01038 2.60170 A13 1.81814 -0.00001 0.00000 0.00095 0.00093 1.81907 A14 2.60147 0.00001 0.00000 0.00103 0.00076 2.60223 A15 1.85831 -0.00001 0.00000 -0.00352 -0.00353 1.85479 A16 1.84002 0.00002 0.00000 0.00254 0.00261 1.84263 A17 2.42782 0.00006 0.00000 0.01627 0.01630 2.44412 A18 1.82875 0.00004 0.00000 0.01340 0.01340 1.84214 A19 1.90025 0.00001 0.00000 0.00083 0.00082 1.90107 A20 1.90284 0.00000 0.00000 -0.00177 -0.00179 1.90105 A21 1.92224 0.00000 0.00000 -0.00572 -0.00572 1.91652 A22 2.82231 -0.00009 0.00000 -0.00298 -0.00298 2.81933 D1 0.00575 -0.00001 0.00000 -0.00495 -0.00492 0.00082 D2 -0.11584 -0.00002 0.00000 -0.00827 -0.00828 -0.12412 D3 0.11033 0.00003 0.00000 0.01308 0.01308 0.12341 D4 3.10366 0.00002 0.00000 0.03840 0.03827 -3.14125 D5 -1.90154 -0.00006 0.00000 0.01481 0.01503 -1.88651 D6 1.82629 0.00008 0.00000 0.05931 0.05937 1.88566 D7 -1.01099 -0.00001 0.00000 0.03035 0.03031 -0.98068 D8 -0.02589 -0.00002 0.00000 0.02542 0.02526 -0.00063 D9 0.94639 0.00000 0.00000 0.03289 0.03293 0.97933 Item Value Threshold Converged? Maximum Force 0.000161 0.000450 YES RMS Force 0.000039 0.000300 YES Maximum Displacement 0.036435 0.001800 NO RMS Displacement 0.010029 0.001200 NO Predicted change in Energy=-4.250195D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Sun Apr 13 00:26:09 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l9999.exe) 1\1\GINC-CO-COMPUTE2\Freq\UB3LYP\LANL2DZ\C1Cu7O1(2)\ZNAMESKI\13-Apr-20 08\0\\#P Geom=AllCheck Guess=Read SCRF=Check GenChk UB3LYP/LANL2DZ Fre q\\Cu7CO03\\0,2\Cu,1.271816174,1.0763963509,1.4621905774\Cu,1.06341955 9,0.3950490359,-0.8978088164\Cu,-0.9858044758,0.7081851913,0.536801818 2\Cu,0.5405487649,-1.3394319221,0.9405086031\Cu,1.3072946473,-2.010406 304,-1.3831704925\Cu,-0.9571994838,-1.0117987861,-1.2574653101\Cu,-1.9 886740721,-1.5102590254,0.9401799327\C,1.1304638256,-2.7620596005,2.10 70664405\O,1.2784235896,-3.8255832913,2.580699975\\Version=IA64L-G03Re 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Job cpu time: 0 days 0 hours 29 minutes 47.4 seconds. File lengths (MBytes): RWF= 113 Int= 0 D2E= 0 Chk= 15 Scr= 1 Normal termination of Gaussian 03 at Sun Apr 13 00:26:09 2008.