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/332784/Gau-30026.inp -scrdir=/scratch/batch/332784/ Entering Link 1 = /usr/apps/chemistry/gaussian/G03/e01/g03/l1.exe PID= 30027. 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 14-Apr-2008 ****************************************** %chk=Cu8CO02_001.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 Mon Apr 14 13:41:45 2008, MaxMem= 1258291200 cpu: 0.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l101.exe) ----------- Cu8CO02_001 ----------- Redundant internal coordinates taken from checkpoint file: Cu8CO02_001.chk Charge = 0 Multiplicity = 1 Cu,0,-0.3152913458,-0.2120722431,1.2414032883 Cu,0,0.2577382341,-2.4482339007,0.2817731673 Cu,0,1.3350881923,-0.3177524943,-0.72484987 Cu,0,-1.0747284449,-0.760862165,-1.1629895809 Cu,0,1.9253950138,-1.1428530781,1.5964162582 Cu,0,-0.3392696948,1.5630152258,-0.4850736642 Cu,0,-2.0921124785,-1.860027273,0.8633806219 Cu,0,-0.9760030022,2.0451960989,1.8021782092 C,0,0.6925826569,-4.145166622,-0.4464513276 O,0,0.9622118691,-5.1905185486,-0.8945141021 Recover connectivity data from disk. Isotopes and Nuclear Properties: (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) in nuclear magnetons) Atom 1 2 3 4 5 6 7 8 9 10 IAtWgt= 63 63 63 63 63 63 63 63 12 16 AtmWgt= 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 12.0000000 15.9949146 NucSpn= 3 3 3 3 3 3 3 3 0 0 AtZEff= -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -3.6000000 -5.6000000 NQMom= -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 0.0000000 0.0000000 NMagM= 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 0.0000000 0.0000000 Leave Link 101 at Mon Apr 14 13:41:45 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) 2.4999 estimate D2E/DX2 ! ! R2 R(1,3) 2.5693 estimate D2E/DX2 ! ! R3 R(1,4) 2.5805 estimate D2E/DX2 ! ! R4 R(1,5) 2.4522 estimate D2E/DX2 ! ! R5 R(1,6) 2.4763 estimate D2E/DX2 ! ! R6 R(1,7) 2.4527 estimate D2E/DX2 ! ! R7 R(1,8) 2.4179 estimate D2E/DX2 ! ! R8 R(2,3) 2.5909 estimate D2E/DX2 ! ! R9 R(2,7) 2.4912 estimate D2E/DX2 ! ! R10 R(2,9) 1.8971 estimate D2E/DX2 ! ! R11 R(3,6) 2.5295 estimate D2E/DX2 ! ! R12 R(4,6) 2.53 estimate D2E/DX2 ! ! R13 R(4,7) 2.5198 estimate D2E/DX2 ! ! R14 R(5,8) 4.3156 estimate D2E/DX2 ! ! R15 R(6,8) 2.4227 estimate D2E/DX2 ! ! R16 R(7,9) 3.833 estimate D2E/DX2 ! ! R17 R(9,10) 1.1689 estimate D2E/DX2 ! ! A1 A(2,1,4) 61.2862 estimate D2E/DX2 ! ! A2 A(2,1,5) 60.4355 estimate D2E/DX2 ! ! A3 A(2,1,6) 112.0727 estimate D2E/DX2 ! ! A4 A(2,1,8) 170.6536 estimate D2E/DX2 ! ! A5 A(3,1,4) 57.8069 estimate D2E/DX2 ! ! A6 A(3,1,5) 60.5425 estimate D2E/DX2 ! ! A7 A(3,1,7) 108.6482 estimate D2E/DX2 ! ! A8 A(3,1,8) 113.043 estimate D2E/DX2 ! ! A9 A(4,1,5) 108.8499 estimate D2E/DX2 ! ! A10 A(4,1,8) 109.5249 estimate D2E/DX2 ! ! A11 A(5,1,6) 112.4497 estimate D2E/DX2 ! ! A12 A(5,1,7) 115.4193 estimate D2E/DX2 ! ! A13 A(6,1,7) 111.5404 estimate D2E/DX2 ! ! A14 A(7,1,8) 117.713 estimate D2E/DX2 ! ! A15 A(1,2,9) 179.9999 estimate D2E/DX2 ! ! A16 A(3,2,7) 106.7847 estimate D2E/DX2 ! ! A17 A(3,2,9) 119.4113 estimate D2E/DX2 ! ! A18 A(2,3,6) 107.4173 estimate D2E/DX2 ! ! A19 A(6,4,7) 107.6115 estimate D2E/DX2 ! ! A20 A(3,6,4) 58.9396 estimate D2E/DX2 ! ! A21 A(3,6,8) 114.2959 estimate D2E/DX2 ! ! A22 A(4,6,8) 111.0623 estimate D2E/DX2 ! ! A23 A(1,7,9) 85.8097 estimate D2E/DX2 ! ! A24 A(2,7,4) 62.251 estimate D2E/DX2 ! ! A25 A(4,7,9) 72.0565 estimate D2E/DX2 ! ! A26 A(5,8,6) 68.3622 estimate D2E/DX2 ! ! A27 A(2,9,10) 179.9105 estimate D2E/DX2 ! ! A28 A(7,9,10) 146.2802 estimate D2E/DX2 ! ! D1 D(4,1,2,9) -62.0348 estimate D2E/DX2 ! ! D2 D(5,1,2,9) 160.7189 estimate D2E/DX2 ! ! D3 D(6,1,2,9) -95.1741 estimate D2E/DX2 ! ! D4 D(8,1,2,9) -72.984 estimate D2E/DX2 ! ! D5 D(3,1,7,9) 39.4817 estimate D2E/DX2 ! ! D6 D(5,1,7,9) -26.0446 estimate D2E/DX2 ! ! D7 D(6,1,7,9) 103.9071 estimate D2E/DX2 ! ! D8 D(8,1,7,9) 169.5661 estimate D2E/DX2 ! ! D9 D(7,2,3,6) 5.9907 estimate D2E/DX2 ! ! D10 D(9,2,3,6) 148.1737 estimate D2E/DX2 ! ! D11 D(3,2,7,4) 33.7423 estimate D2E/DX2 ! ! D12 D(1,2,9,10) -163.8783 estimate D2E/DX2 ! ! D13 D(3,2,9,10) 67.2635 estimate D2E/DX2 ! ! D14 D(2,3,6,4) -40.9178 estimate D2E/DX2 ! ! D15 D(2,3,6,8) 59.942 estimate D2E/DX2 ! ! D16 D(7,4,6,3) 102.395 estimate D2E/DX2 ! ! D17 D(7,4,6,8) -4.0294 estimate D2E/DX2 ! ! D18 D(6,4,7,2) -99.9745 estimate D2E/DX2 ! ! D19 D(6,4,7,9) -125.0839 estimate D2E/DX2 ! ! D20 D(3,6,8,5) 0.8771 estimate D2E/DX2 ! ! D21 D(4,6,8,5) 65.2347 estimate D2E/DX2 ! ! D22 D(1,7,9,10) 179.9345 estimate D2E/DX2 ! ! D23 D(4,7,9,10) -117.6343 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 Number of steps in this run= 78 maximum allowed number of steps= 100. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Mon Apr 14 13:41:45 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 -0.315291 -0.212072 1.241403 2 29 0 0.257738 -2.448234 0.281773 3 29 0 1.335088 -0.317752 -0.724850 4 29 0 -1.074728 -0.760862 -1.162990 5 29 0 1.925395 -1.142853 1.596416 6 29 0 -0.339270 1.563015 -0.485074 7 29 0 -2.092112 -1.860027 0.863381 8 29 0 -0.976003 2.045196 1.802178 9 6 0 0.692583 -4.145167 -0.446451 10 8 0 0.962212 -5.190519 -0.894514 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.499934 0.000000 3 Cu 2.569255 2.590931 0.000000 4 Cu 2.580508 2.590373 2.489082 0.000000 5 Cu 2.452155 2.492666 2.533284 4.094017 0.000000 6 Cu 2.476335 4.127298 2.529477 2.529995 4.096710 7 Cu 2.452703 2.491195 4.080048 2.519804 4.146329 8 Cu 2.417906 4.901496 4.160594 4.083617 4.315566 9 C 4.397032 1.897098 3.890941 3.884628 3.834973 10 O 5.565886 3.065952 4.889956 4.882936 4.849335 6 7 8 9 10 6 Cu 0.000000 7 Cu 4.075292 0.000000 8 Cu 2.422695 4.168670 0.000000 9 C 5.800823 3.833021 6.794196 0.000000 10 O 6.889972 4.848841 7.961432 1.168854 0.000000 Symmetry turned off by external request. Stoichiometry CCu8O Framework group C1[X(CCu8O)] Deg. of freedom 24 Full point group C1 Rotational constants (GHZ): 0.3928415 0.2285162 0.2107790 Leave Link 202 at Mon Apr 14 13:41:46 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. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2074.0924805540 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 10 NActive= 10 NUniq= 10 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Mon Apr 14 13:41:46 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 194 RedAO= T NBF= 194 NBsUse= 194 1.00D-06 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 615 NPtTot= 106536 NUsed= 110882 NTot= 110914 NSgBfM= 210 210 210 210. Leave Link 302 at Mon Apr 14 13:41:49 2008, MaxMem= 1258291200 cpu: 9.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Mon Apr 14 13:41:49 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Harris functional with IExCor= 402 diagonalized for initial guess. ExpMin= 2.40D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Harris En= -1494.98778620146 Leave Link 401 at Mon Apr 14 13:41:51 2008, MaxMem= 1258291200 cpu: 7.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 110881 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234528. IEnd= 284564 IEndB= 284564 NGot=1258291200 MDV=1012634483 LenX=1012634483 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= -1679.68421105326 DIIS: error= 1.06D-01 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1679.68421105326 IErMin= 1 ErrMin= 1.06D-01 ErrMax= 1.06D-01 EMaxC= 1.00D-01 BMatC= 3.96D+00 BMatP= 3.96D+00 IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= -0.022 Goal= None Shift= 0.000 GapD= -0.022 DampG=0.250 DampE=0.125 DampFc=0.1250 IDamp=-1. Damping current iteration by 1.25D-01 RMSDP=4.52D+00 MaxDP=3.76D+02 OVMax= 9.84D-01 Cycle 2 Pass 1 IDiag 1: E= -1677.21056186104 Delta-E= 2.473649192224 Rises=F Damp=T DIIS: error= 4.29D-02 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1679.68421105326 IErMin= 2 ErrMin= 4.29D-02 ErrMax= 4.29D-02 EMaxC= 1.00D-01 BMatC= 4.28D-01 BMatP= 3.96D+00 IDIUse=3 WtCom= 5.71D-01 WtEn= 4.29D-01 Coeff-Com: -0.718D-01 0.107D+01 Coeff-En: 0.726D+00 0.274D+00 Coeff: 0.271D+00 0.729D+00 Gap= 0.004 Goal= None Shift= 0.000 RMSDP=5.63D-01 MaxDP=4.68D+01 DE= 2.47D+00 OVMax= 8.36D-01 Cycle 3 Pass 1 IDiag 1: E= -1680.33817389869 Delta-E= -3.127612037655 Rises=F Damp=F DIIS: error= 1.06D-01 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1680.33817389869 IErMin= 2 ErrMin= 4.29D-02 ErrMax= 1.06D-01 EMaxC= 1.00D-01 BMatC= 1.96D+00 BMatP= 4.28D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 2 forward-backward iterations Coeff-En: 0.324D+00 0.132D+00 0.545D+00 Coeff: 0.324D+00 0.132D+00 0.545D+00 Gap= 0.618 Goal= None Shift= 0.000 RMSDP=3.72D-01 MaxDP=2.91D+01 DE=-3.13D+00 OVMax= 7.99D-01 Cycle 4 Pass 1 IDiag 1: E= -1590.43336980941 Delta-E= 89.904804089280 Rises=F Damp=F DIIS: error= 3.67D-01 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 3 EnMin= -1680.33817389869 IErMin= 2 ErrMin= 4.29D-02 ErrMax= 3.67D-01 EMaxC= 1.00D-01 BMatC= 7.95D+01 BMatP= 4.28D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 100 forward-backward iterations Coeff-En: 0.376D+00 0.499D-02 0.562D+00 0.574D-01 Coeff: 0.376D+00 0.499D-02 0.562D+00 0.574D-01 Gap= -0.048 Goal= None Shift= 0.000 RMSDP=3.46D-01 MaxDP=2.88D+01 DE= 8.99D+01 OVMax= 7.06D-01 Cycle 5 Pass 1 IDiag 1: E= -1666.80606021691 Delta-E= -76.372690407500 Rises=F Damp=F DIIS: error= 2.08D-01 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 3 EnMin= -1680.33817389869 IErMin= 2 ErrMin= 4.29D-02 ErrMax= 2.08D-01 EMaxC= 1.00D-01 BMatC= 2.20D+01 BMatP= 4.28D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 100 forward-backward iterations Coeff-En: 0.368D+00 0.411D-02 0.486D+00 0.351D-01 0.106D+00 Coeff: 0.368D+00 0.411D-02 0.486D+00 0.351D-01 0.106D+00 Gap= -0.015 Goal= None Shift= 0.000 RMSDP=6.03D-02 MaxDP=3.83D+00 DE=-7.64D+01 OVMax= 7.88D-01 Cycle 6 Pass 1 IDiag 1: E= -1672.68251743741 Delta-E= -5.876457220500 Rises=F Damp=F DIIS: error= 1.28D-01 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 3 EnMin= -1680.33817389869 IErMin= 2 ErrMin= 4.29D-02 ErrMax= 1.28D-01 EMaxC= 1.00D-01 BMatC= 1.03D+01 BMatP= 4.28D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 2 forward-backward iterations Coeff-En: 0.295D+00 0.000D+00 0.452D+00 0.000D+00 0.783D-01 0.175D+00 Coeff: 0.295D+00 0.000D+00 0.452D+00 0.000D+00 0.783D-01 0.175D+00 Gap= 0.035 Goal= None Shift= 0.000 RMSDP=1.63D-02 MaxDP=5.15D-01 DE=-5.88D+00 OVMax= 7.58D-01 Cycle 7 Pass 1 IDiag 1: E= -1681.26066877306 Delta-E= -8.578151335650 Rises=F Damp=F DIIS: error= 5.91D-02 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1681.26066877306 IErMin= 2 ErrMin= 4.29D-02 ErrMax= 5.91D-02 EMaxC= 1.00D-01 BMatC= 1.75D+00 BMatP= 4.28D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 3 forward-backward iterations Coeff-En: 0.130D+00 0.000D+00 0.312D+00 0.000D+00 0.000D+00 0.997D-01 Coeff-En: 0.458D+00 Coeff: 0.130D+00 0.000D+00 0.312D+00 0.000D+00 0.000D+00 0.997D-01 Coeff: 0.458D+00 Gap= 0.346 Goal= None Shift= 0.000 RMSDP=1.76D-02 MaxDP=6.33D-01 DE=-8.58D+00 OVMax= 7.54D-01 Cycle 8 Pass 1 IDiag 1: E= -1674.48160064539 Delta-E= 6.779068127672 Rises=F Damp=F DIIS: error= 1.23D-01 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 7 EnMin= -1681.26066877306 IErMin= 2 ErrMin= 4.29D-02 ErrMax= 1.23D-01 EMaxC= 1.00D-01 BMatC= 8.35D+00 BMatP= 4.28D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 3 forward-backward iterations Coeff-En: 0.628D-01 0.000D+00 0.262D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.525D+00 0.150D+00 Coeff: 0.628D-01 0.000D+00 0.262D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.525D+00 0.150D+00 Gap= -0.012 Goal= None Shift= 0.000 RMSDP=1.27D-02 MaxDP=5.99D-01 DE= 6.78D+00 OVMax= 5.79D-01 Cycle 9 Pass 1 IDiag 1: E= -1682.38903828472 Delta-E= -7.907437639331 Rises=F Damp=F DIIS: error= 3.90D-02 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.38903828472 IErMin= 9 ErrMin= 3.90D-02 ErrMax= 3.90D-02 EMaxC= 1.00D-01 BMatC= 4.40D-01 BMatP= 4.28D-01 IDIUse=3 WtCom= 6.10D-01 WtEn= 3.90D-01 EnCoef did 100 forward-backward iterations Coeff-Com: -0.901D-01 0.248D+00 0.878D-01-0.239D-02-0.557D-02 0.108D-01 Coeff-Com: 0.212D+00 0.302D-01 0.510D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.302D-02 Coeff-En: 0.241D+00 0.183D-01 0.738D+00 Coeff: -0.550D-01 0.151D+00 0.536D-01-0.146D-02-0.340D-02 0.774D-02 Coeff: 0.223D+00 0.256D-01 0.599D+00 Gap= 0.122 Goal= None Shift= 0.000 RMSDP=7.28D-03 MaxDP=1.43D-01 DE=-7.91D+00 OVMax= 1.93D-01 Cycle 10 Pass 1 IDiag 1: E= -1682.47472804947 Delta-E= -0.085689764748 Rises=F Damp=F DIIS: error= 1.89D-02 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.47472804947 IErMin=10 ErrMin= 1.89D-02 ErrMax= 1.89D-02 EMaxC= 1.00D-01 BMatC= 2.90D-01 BMatP= 4.28D-01 IDIUse=3 WtCom= 8.11D-01 WtEn= 1.89D-01 EnCoef did 6 forward-backward iterations Coeff-Com: -0.139D+00 0.135D+00-0.152D-01-0.248D-02-0.524D-03 0.841D-02 Coeff-Com: 0.113D+00-0.601D-02 0.527D+00 0.380D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.105D+00 0.000D+00 0.432D+00 0.463D+00 Coeff: -0.113D+00 0.110D+00-0.124D-01-0.201D-02-0.425D-03 0.682D-02 Coeff: 0.111D+00-0.487D-02 0.509D+00 0.396D+00 Gap= 0.112 Goal= None Shift= 0.000 RMSDP=4.81D-03 MaxDP=9.36D-02 DE=-8.57D-02 OVMax= 1.27D-01 Cycle 11 Pass 1 IDiag 1: E= -1682.71332355397 Delta-E= -0.238595504501 Rises=F Damp=F DIIS: error= 9.54D-03 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.71332355397 IErMin=11 ErrMin= 9.54D-03 ErrMax= 9.54D-03 EMaxC= 1.00D-01 BMatC= 3.32D-02 BMatP= 2.90D-01 IDIUse=3 WtCom= 9.05D-01 WtEn= 9.54D-02 Coeff-Com: -0.110D+00 0.115D+00-0.363D-02-0.357D-03 0.272D-02-0.326D-02 Coeff-Com: 0.268D-01 0.106D-02 0.174D+00 0.194D+00 0.604D+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: -0.995D-01 0.104D+00-0.328D-02-0.323D-03 0.246D-02-0.295D-02 Coeff: 0.242D-01 0.956D-03 0.157D+00 0.175D+00 0.642D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=1.09D-03 MaxDP=4.23D-02 DE=-2.39D-01 OVMax= 1.93D-02 Cycle 12 Pass 1 IDiag 1: E= -1682.69865398769 Delta-E= 0.014669566278 Rises=F Damp=F DIIS: error= 1.22D-02 at cycle 12 NSaved= 12. NSaved=12 IEnMin=11 EnMin= -1682.71332355397 IErMin=11 ErrMin= 9.54D-03 ErrMax= 1.22D-02 EMaxC= 1.00D-01 BMatC= 5.34D-02 BMatP= 3.32D-02 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 Rare condition: small coef for last iteration: 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: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Gap= 0.061 Goal= None Shift= 0.000 RMSDP=9.15D-03 MaxDP=3.64D-01 DE= 1.47D-02 OVMax= 1.83D-01 Cycle 13 Pass 1 IDiag 1: E= -1682.03657067340 Delta-E= 0.662083314292 Rises=F Damp=F DIIS: error= 4.59D-02 at cycle 13 NSaved= 13. NSaved=13 IEnMin=11 EnMin= -1682.71332355397 IErMin=11 ErrMin= 9.54D-03 ErrMax= 4.59D-02 EMaxC= 1.00D-01 BMatC= 1.02D+00 BMatP= 3.32D-02 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 6 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: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.868D+00 0.965D-01 Coeff-En: 0.359D-01 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.868D+00 0.965D-01 Coeff: 0.359D-01 Gap= 0.123 Goal= None Shift= 0.000 RMSDP=4.49D-03 MaxDP=1.54D-01 DE= 6.62D-01 OVMax= 1.36D-01 Cycle 14 Pass 1 IDiag 1: E= -1682.56704972733 Delta-E= -0.530479053933 Rises=F Damp=F DIIS: error= 2.49D-02 at cycle 14 NSaved= 14. NSaved=14 IEnMin=11 EnMin= -1682.71332355397 IErMin=11 ErrMin= 9.54D-03 ErrMax= 2.49D-02 EMaxC= 1.00D-01 BMatC= 2.52D-01 BMatP= 3.32D-02 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 100 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: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.786D+00 0.257D-02 Coeff-En: 0.123D-02 0.210D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.786D+00 0.257D-02 Coeff: 0.123D-02 0.210D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=3.06D-03 MaxDP=9.06D-02 DE=-5.30D-01 OVMax= 4.92D-02 Cycle 15 Pass 1 IDiag 1: E= -1682.73222240739 Delta-E= -0.165172680052 Rises=F Damp=F DIIS: error= 6.90D-03 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1682.73222240739 IErMin=15 ErrMin= 6.90D-03 ErrMax= 6.90D-03 EMaxC= 1.00D-01 BMatC= 1.53D-02 BMatP= 3.32D-02 IDIUse=3 WtCom= 9.31D-01 WtEn= 6.90D-02 EnCoef did 6 forward-backward iterations Coeff-Com: -0.104D-01 0.166D-01-0.598D-03-0.132D-03-0.142D-03-0.183D-02 Coeff-Com: -0.676D-03-0.250D-03 0.401D-02 0.131D-01 0.397D+00 0.114D+00 Coeff-Com: 0.875D-02 0.620D-01 0.398D+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 0.323D+00 0.301D-02 Coeff-En: 0.000D+00 0.000D+00 0.674D+00 Coeff: -0.970D-02 0.154D-01-0.557D-03-0.123D-03-0.132D-03-0.170D-02 Coeff: -0.629D-03-0.233D-03 0.373D-02 0.122D-01 0.392D+00 0.106D+00 Coeff: 0.814D-02 0.577D-01 0.417D+00 Gap= 0.089 Goal= None Shift= 0.000 RMSDP=1.77D-03 MaxDP=5.83D-02 DE=-1.65D-01 OVMax= 3.20D-02 Cycle 16 Pass 1 IDiag 1: E= -1682.74352907835 Delta-E= -0.011306670966 Rises=F Damp=F DIIS: error= 2.08D-03 at cycle 16 NSaved= 16. NSaved=16 IEnMin=16 EnMin= -1682.74352907835 IErMin=16 ErrMin= 2.08D-03 ErrMax= 2.08D-03 EMaxC= 1.00D-01 BMatC= 1.39D-03 BMatP= 1.53D-02 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.08D-02 Coeff-Com: -0.514D-02 0.601D-02 0.868D-03-0.618D-04-0.809D-05-0.114D-03 Coeff-Com: 0.645D-03-0.223D-03-0.446D-02-0.219D-03 0.152D+00 0.249D-01 Coeff-Com: -0.130D-03 0.263D-02 0.302D+00 0.521D+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 0.935D-01 0.907D+00 Coeff: -0.503D-02 0.589D-02 0.850D-03-0.605D-04-0.792D-05-0.112D-03 Coeff: 0.631D-03-0.219D-03-0.436D-02-0.214D-03 0.149D+00 0.244D-01 Coeff: -0.127D-03 0.257D-02 0.298D+00 0.529D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=3.37D-04 MaxDP=1.35D-02 DE=-1.13D-02 OVMax= 6.32D-03 Cycle 17 Pass 1 IDiag 1: E= -1682.74448338766 Delta-E= -0.000954309309 Rises=F Damp=F DIIS: error= 6.19D-04 at cycle 17 NSaved= 17. NSaved=17 IEnMin=17 EnMin= -1682.74448338766 IErMin=17 ErrMin= 6.19D-04 ErrMax= 6.19D-04 EMaxC= 1.00D-01 BMatC= 1.41D-04 BMatP= 1.39D-03 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.19D-03 Coeff-Com: -0.510D-03 0.675D-03 0.534D-03-0.314D-05 0.349D-04-0.833D-05 Coeff-Com: 0.654D-03-0.660D-04-0.285D-02 0.205D-04 0.359D-01-0.303D-01 Coeff-Com: -0.129D-02-0.881D-02 0.151D+00 0.328D+00 0.527D+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: -0.507D-03 0.671D-03 0.531D-03-0.312D-05 0.346D-04-0.828D-05 Coeff: 0.650D-03-0.656D-04-0.283D-02 0.204D-04 0.357D-01-0.301D-01 Coeff: -0.128D-02-0.876D-02 0.150D+00 0.326D+00 0.529D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=1.36D-04 MaxDP=4.69D-03 DE=-9.54D-04 OVMax= 3.83D-03 Cycle 18 Pass 1 IDiag 1: E= -1682.74460745453 Delta-E= -0.000124066869 Rises=F Damp=F DIIS: error= 1.40D-04 at cycle 18 NSaved= 18. NSaved=18 IEnMin=18 EnMin= -1682.74460745453 IErMin=18 ErrMin= 1.40D-04 ErrMax= 1.40D-04 EMaxC= 1.00D-01 BMatC= 1.12D-05 BMatP= 1.41D-04 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.40D-03 Coeff-Com: 0.272D-03-0.144D-03 0.132D-03-0.247D-05 0.598D-05 0.143D-04 Coeff-Com: 0.396D-03-0.344D-04-0.241D-03 0.163D-02-0.406D-02-0.252D-01 Coeff-Com: 0.397D-03-0.779D-02 0.526D-01 0.132D+00 0.407D+00 0.443D+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: 0.271D-03-0.143D-03 0.132D-03-0.246D-05 0.597D-05 0.143D-04 Coeff: 0.395D-03-0.343D-04-0.241D-03 0.163D-02-0.406D-02-0.252D-01 Coeff: 0.396D-03-0.778D-02 0.525D-01 0.132D+00 0.407D+00 0.444D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=3.69D-05 MaxDP=1.63D-03 DE=-1.24D-04 OVMax= 9.89D-04 Cycle 19 Pass 1 IDiag 1: E= -1682.74461615456 Delta-E= -0.000008700035 Rises=F Damp=F DIIS: error= 4.07D-05 at cycle 19 NSaved= 19. NSaved=19 IEnMin=19 EnMin= -1682.74461615456 IErMin=19 ErrMin= 4.07D-05 ErrMax= 4.07D-05 EMaxC= 1.00D-01 BMatC= 8.84D-07 BMatP= 1.12D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.161D-03 0.171D-04 0.398D-04 0.385D-05-0.572D-05 0.107D-04 Coeff-Com: 0.612D-04-0.919D-05-0.160D-03 0.405D-03-0.818D-03-0.105D-01 Coeff-Com: 0.755D-04-0.148D-02 0.133D-01 0.439D-01 0.172D+00 0.246D+00 Coeff-Com: 0.536D+00 Coeff: 0.161D-03 0.171D-04 0.398D-04 0.385D-05-0.572D-05 0.107D-04 Coeff: 0.612D-04-0.919D-05-0.160D-03 0.405D-03-0.818D-03-0.105D-01 Coeff: 0.755D-04-0.148D-02 0.133D-01 0.439D-01 0.172D+00 0.246D+00 Coeff: 0.536D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=1.21D-05 MaxDP=2.93D-04 DE=-8.70D-06 OVMax= 7.44D-04 Cycle 20 Pass 1 IDiag 1: Restarting incremental Fock formation. E= -1682.74461707139 Delta-E= -0.000000916825 Rises=F Damp=F DIIS: error= 2.53D-05 at cycle 20 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74461707139 IErMin=20 ErrMin= 2.53D-05 ErrMax= 2.53D-05 EMaxC= 1.00D-01 BMatC= 1.45D-07 BMatP= 8.84D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.211D-04 0.314D-04-0.163D-04-0.239D-06 0.239D-06 0.648D-05 Coeff-Com: -0.207D-04 0.378D-05-0.173D-03-0.184D-03-0.139D-03-0.188D-02 Coeff-Com: 0.538D-04 0.618D-03-0.229D-02 0.669D-02 0.402D-01 0.696D-01 Coeff-Com: 0.331D+00 0.556D+00 Coeff: 0.211D-04 0.314D-04-0.163D-04-0.239D-06 0.239D-06 0.648D-05 Coeff: -0.207D-04 0.378D-05-0.173D-03-0.184D-03-0.139D-03-0.188D-02 Coeff: 0.538D-04 0.618D-03-0.229D-02 0.669D-02 0.402D-01 0.696D-01 Coeff: 0.331D+00 0.556D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=5.31D-06 MaxDP=1.43D-04 DE=-9.17D-07 OVMax= 2.60D-04 Cycle 21 Pass 1 IDiag 1: E= -1682.74461724948 Delta-E= -0.000000178094 Rises=F Damp=F DIIS: error= 5.96D-06 at cycle 21 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74461724948 IErMin=20 ErrMin= 5.96D-06 ErrMax= 5.96D-06 EMaxC= 1.00D-01 BMatC= 1.98D-08 BMatP= 1.45D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.329D-05 0.165D-04-0.739D-05-0.416D-06 0.184D-05-0.164D-04 Coeff-Com: 0.150D-05-0.750D-04-0.457D-04-0.113D-03-0.588D-03 0.374D-04 Coeff-Com: 0.356D-03-0.203D-02 0.415D-03 0.929D-02 0.132D-01 0.116D+00 Coeff-Com: 0.289D+00 0.575D+00 Coeff: 0.329D-05 0.165D-04-0.739D-05-0.416D-06 0.184D-05-0.164D-04 Coeff: 0.150D-05-0.750D-04-0.457D-04-0.113D-03-0.588D-03 0.374D-04 Coeff: 0.356D-03-0.203D-02 0.415D-03 0.929D-02 0.132D-01 0.116D+00 Coeff: 0.289D+00 0.575D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=1.56D-06 MaxDP=2.78D-05 DE=-1.78D-07 OVMax= 4.69D-05 Cycle 22 Pass 1 IDiag 1: E= -1682.74461726080 Delta-E= -0.000000011321 Rises=F Damp=F DIIS: error= 4.47D-06 at cycle 22 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74461726080 IErMin=20 ErrMin= 4.47D-06 ErrMax= 4.47D-06 EMaxC= 1.00D-01 BMatC= 7.94D-09 BMatP= 1.98D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.176D-05 0.598D-05-0.498D-06 0.497D-06-0.832D-05-0.118D-06 Coeff-Com: -0.150D-04 0.396D-04-0.209D-04-0.144D-03 0.970D-05 0.918D-04 Coeff-Com: -0.819D-03-0.138D-02-0.208D-02-0.794D-02 0.685D-02 0.893D-01 Coeff-Com: 0.474D+00 0.442D+00 Coeff: -0.176D-05 0.598D-05-0.498D-06 0.497D-06-0.832D-05-0.118D-06 Coeff: -0.150D-04 0.396D-04-0.209D-04-0.144D-03 0.970D-05 0.918D-04 Coeff: -0.819D-03-0.138D-02-0.208D-02-0.794D-02 0.685D-02 0.893D-01 Coeff: 0.474D+00 0.442D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=9.53D-07 MaxDP=2.13D-05 DE=-1.13D-08 OVMax= 4.50D-05 Cycle 23 Pass 1 IDiag 1: E= -1682.74461726826 Delta-E= -0.000000007455 Rises=F Damp=F DIIS: error= 1.31D-06 at cycle 23 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74461726826 IErMin=20 ErrMin= 1.31D-06 ErrMax= 1.31D-06 EMaxC= 1.00D-01 BMatC= 4.51D-10 BMatP= 7.94D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.130D-05-0.371D-05-0.164D-06-0.268D-05 0.238D-06-0.357D-05 Coeff-Com: 0.154D-04-0.174D-04-0.492D-04-0.447D-05 0.242D-04-0.283D-03 Coeff-Com: -0.893D-03-0.189D-02-0.520D-02-0.263D-02 0.262D-01 0.198D+00 Coeff-Com: 0.227D+00 0.560D+00 Coeff: 0.130D-05-0.371D-05-0.164D-06-0.268D-05 0.238D-06-0.357D-05 Coeff: 0.154D-04-0.174D-04-0.492D-04-0.447D-05 0.242D-04-0.283D-03 Coeff: -0.893D-03-0.189D-02-0.520D-02-0.263D-02 0.262D-01 0.198D+00 Coeff: 0.227D+00 0.560D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=3.50D-07 MaxDP=1.10D-05 DE=-7.46D-09 OVMax= 8.05D-06 Cycle 24 Pass 1 IDiag 1: E= -1682.74461726855 Delta-E= -0.000000000288 Rises=F Damp=F DIIS: error= 6.88D-07 at cycle 24 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74461726855 IErMin=20 ErrMin= 6.88D-07 ErrMax= 6.88D-07 EMaxC= 1.00D-01 BMatC= 1.60D-10 BMatP= 4.51D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.129D-05-0.167D-05 0.448D-06-0.208D-07 0.355D-05 0.414D-05 Coeff-Com: -0.334D-04 0.376D-04-0.149D-05-0.412D-05-0.112D-03-0.389D-03 Coeff-Com: -0.888D-03-0.151D-02-0.176D-03 0.324D-02 0.240D-01 0.539D-01 Coeff-Com: 0.373D+00 0.549D+00 Coeff: -0.129D-05-0.167D-05 0.448D-06-0.208D-07 0.355D-05 0.414D-05 Coeff: -0.334D-04 0.376D-04-0.149D-05-0.412D-05-0.112D-03-0.389D-03 Coeff: -0.888D-03-0.151D-02-0.176D-03 0.324D-02 0.240D-01 0.539D-01 Coeff: 0.373D+00 0.549D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=1.25D-07 MaxDP=3.81D-06 DE=-2.88D-10 OVMax= 4.02D-06 Cycle 25 Pass 1 IDiag 1: E= -1682.74461726869 Delta-E= -0.000000000138 Rises=F Damp=F DIIS: error= 2.65D-07 at cycle 25 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74461726869 IErMin=20 ErrMin= 2.65D-07 ErrMax= 2.65D-07 EMaxC= 1.00D-01 BMatC= 1.43D-11 BMatP= 1.60D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.288D-06 0.184D-06 0.874D-07 0.143D-05 0.350D-06 0.719D-05 Coeff-Com: 0.215D-04-0.115D-05-0.355D-05 0.912D-05-0.747D-05-0.209D-03 Coeff-Com: -0.240D-03 0.334D-03-0.163D-02-0.137D-01-0.457D-02 0.821D-01 Coeff-Com: 0.228D+00 0.710D+00 Coeff: -0.288D-06 0.184D-06 0.874D-07 0.143D-05 0.350D-06 0.719D-05 Coeff: 0.215D-04-0.115D-05-0.355D-05 0.912D-05-0.747D-05-0.209D-03 Coeff: -0.240D-03 0.334D-03-0.163D-02-0.137D-01-0.457D-02 0.821D-01 Coeff: 0.228D+00 0.710D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=6.32D-08 MaxDP=1.82D-06 DE=-1.38D-10 OVMax= 2.23D-06 Cycle 26 Pass 1 IDiag 1: E= -1682.74461726869 Delta-E= -0.000000000004 Rises=F Damp=F DIIS: error= 1.06D-07 at cycle 26 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74461726869 IErMin=20 ErrMin= 1.06D-07 ErrMax= 1.06D-07 EMaxC= 1.00D-01 BMatC= 3.46D-12 BMatP= 1.43D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.446D-08-0.116D-06 0.579D-06-0.190D-07 0.103D-04 0.156D-04 Coeff-Com: -0.528D-06-0.291D-05 0.252D-04 0.187D-04-0.103D-03-0.120D-03 Coeff-Com: -0.108D-03-0.250D-02-0.121D-01-0.697D-02 0.320D-01 0.117D+00 Coeff-Com: 0.510D+00 0.363D+00 Coeff: -0.446D-08-0.116D-06 0.579D-06-0.190D-07 0.103D-04 0.156D-04 Coeff: -0.528D-06-0.291D-05 0.252D-04 0.187D-04-0.103D-03-0.120D-03 Coeff: -0.108D-03-0.250D-02-0.121D-01-0.697D-02 0.320D-01 0.117D+00 Coeff: 0.510D+00 0.363D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=2.14D-08 MaxDP=5.11D-07 DE=-3.64D-12 OVMax= 1.15D-06 Cycle 27 Pass 1 IDiag 1: E= -1682.74461726870 Delta-E= -0.000000000011 Rises=F Damp=F DIIS: error= 1.96D-08 at cycle 27 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.74461726870 IErMin=20 ErrMin= 1.96D-08 ErrMax= 1.96D-08 EMaxC= 1.00D-01 BMatC= 9.96D-14 BMatP= 3.46D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.129D-07 0.205D-06-0.670D-07 0.876D-06 0.268D-05-0.240D-07 Coeff-Com: -0.865D-06 0.614D-05 0.132D-04-0.312D-05-0.126D-04-0.152D-03 Coeff-Com: -0.855D-03-0.291D-02-0.249D-02-0.171D-02 0.228D-01 0.824D-01 Coeff-Com: 0.107D+00 0.796D+00 Coeff: -0.129D-07 0.205D-06-0.670D-07 0.876D-06 0.268D-05-0.240D-07 Coeff: -0.865D-06 0.614D-05 0.132D-04-0.312D-05-0.126D-04-0.152D-03 Coeff: -0.855D-03-0.291D-02-0.249D-02-0.171D-02 0.228D-01 0.824D-01 Coeff: 0.107D+00 0.796D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=5.83D-09 MaxDP=1.38D-07 DE=-1.14D-11 OVMax= 2.89D-07 SCF Done: E(RB+HF-LYP) = -1682.74461727 A.U. after 27 cycles Convg = 0.5827D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132160562941D+03 PE=-8.258314194610D+03 EE= 3.369316533847D+03 Leave Link 502 at Mon Apr 14 13:42:57 2008, MaxMem= 1258291200 cpu: 220.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27572 -10.35655 -4.34931 -4.30768 -4.29297 Alpha occ. eigenvalues -- -4.29249 -4.28870 -4.28439 -4.28395 -4.27154 Alpha occ. eigenvalues -- -2.86104 -2.85309 -2.85226 -2.81609 -2.81387 Alpha occ. eigenvalues -- -2.81354 -2.80154 -2.80047 -2.80026 -2.79988 Alpha occ. eigenvalues -- -2.79906 -2.79854 -2.79710 -2.79583 -2.79492 Alpha occ. eigenvalues -- -2.79372 -2.79326 -2.79087 -2.79054 -2.79047 Alpha occ. eigenvalues -- -2.79007 -2.78164 -2.77888 -2.77639 -1.19246 Alpha occ. eigenvalues -- -0.59111 -0.48760 -0.48747 -0.48097 -0.35967 Alpha occ. eigenvalues -- -0.34406 -0.33504 -0.32985 -0.32788 -0.32475 Alpha occ. eigenvalues -- -0.31851 -0.30826 -0.30658 -0.30601 -0.30247 Alpha occ. eigenvalues -- -0.29886 -0.28982 -0.28830 -0.28700 -0.28374 Alpha occ. eigenvalues -- -0.28210 -0.27848 -0.27508 -0.27454 -0.27079 Alpha occ. eigenvalues -- -0.26935 -0.26758 -0.26505 -0.26471 -0.26341 Alpha occ. eigenvalues -- -0.26108 -0.25980 -0.25884 -0.25651 -0.25634 Alpha occ. eigenvalues -- -0.25543 -0.25391 -0.25310 -0.25279 -0.25050 Alpha occ. eigenvalues -- -0.24803 -0.24670 -0.24525 -0.24474 -0.24032 Alpha occ. eigenvalues -- -0.20743 -0.20421 -0.18388 Alpha virt. eigenvalues -- -0.09648 -0.08718 -0.07773 -0.06848 -0.06138 Alpha virt. eigenvalues -- -0.05259 -0.03880 -0.03106 -0.00654 -0.00295 Alpha virt. eigenvalues -- -0.00073 0.02094 0.02438 0.02492 0.02681 Alpha virt. eigenvalues -- 0.03493 0.03576 0.03711 0.03913 0.04359 Alpha virt. eigenvalues -- 0.04421 0.04993 0.05397 0.05606 0.06870 Alpha virt. eigenvalues -- 0.06988 0.07691 0.07783 0.08119 0.08556 Alpha virt. eigenvalues -- 0.08567 0.08952 0.09217 0.09357 0.09871 Alpha virt. eigenvalues -- 0.10020 0.10976 0.12042 0.12305 0.15523 Alpha virt. eigenvalues -- 0.17439 0.19528 0.20181 0.20551 0.22152 Alpha virt. eigenvalues -- 0.24269 0.25628 0.26762 0.27048 0.28082 Alpha virt. eigenvalues -- 0.28741 0.29329 0.31129 0.32195 0.34129 Alpha virt. eigenvalues -- 0.37594 0.40362 0.52882 0.62694 0.63102 Alpha virt. eigenvalues -- 0.64245 0.67019 0.67251 0.67393 0.71060 Alpha virt. eigenvalues -- 0.71772 0.73450 0.74958 0.76450 0.77763 Alpha virt. eigenvalues -- 0.79105 0.79616 0.81094 0.82424 0.85182 Alpha virt. eigenvalues -- 0.86129 0.86859 0.88627 0.90079 0.90235 Alpha virt. eigenvalues -- 0.94173 0.96076 1.00192 1.02425 1.03496 Alpha virt. eigenvalues -- 1.05108 1.05519 1.08050 1.10605 1.12493 Alpha virt. eigenvalues -- 1.13847 1.20034 1.24102 1.27551 1.27935 Alpha virt. eigenvalues -- 1.28930 1.30862 1.31063 1.32017 1.32864 Alpha virt. eigenvalues -- 1.34953 1.43241 1.58100 1.68601 1.71938 Alpha virt. eigenvalues -- 1.88193 2.06091 2.64061 2.75330 4.05970 Alpha virt. eigenvalues -- 10.64344 Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.27572 -10.35655 -4.34931 -4.30768 -4.29297 1 1 Cu 1S -0.00002 0.00056 0.00089 1.00091 -0.00614 2 2S -0.00002 0.00084 -0.00140 0.00698 -0.00156 3 3S -0.00018 0.00367 -0.00384 0.02080 0.00056 4 4PX 0.00000 -0.00001 -0.00003 0.00007 -0.00006 5 4PY 0.00000 0.00002 0.00010 0.00032 0.00001 6 4PZ 0.00000 0.00000 0.00005 0.00001 0.00012 7 5PX -0.00011 0.00095 -0.00099 0.00069 -0.00118 8 5PY 0.00030 -0.00347 0.00416 -0.00131 0.00045 9 5PZ 0.00010 -0.00122 0.00106 -0.00428 0.00123 10 6PX -0.00076 0.00037 -0.00157 0.00062 -0.00189 11 6PY 0.00285 -0.00038 0.00194 -0.00364 0.00084 12 6PZ -0.00007 -0.00103 0.00385 -0.00634 -0.00064 13 7D 0 0.00000 0.00000 0.00002 -0.00034 -0.00001 14 7D+1 0.00000 0.00000 0.00001 -0.00005 0.00002 15 7D-1 -0.00001 0.00000 -0.00006 0.00021 0.00001 16 7D+2 0.00001 0.00000 0.00004 -0.00032 -0.00001 17 7D-2 0.00000 0.00000 0.00003 -0.00021 0.00000 18 8D 0 -0.00002 -0.00002 -0.00004 0.00033 -0.00010 19 8D+1 -0.00001 -0.00001 -0.00002 -0.00008 0.00013 20 8D-1 0.00003 0.00004 0.00012 0.00007 -0.00009 21 8D+2 -0.00003 -0.00005 -0.00002 0.00010 -0.00005 22 8D-2 -0.00002 -0.00001 -0.00004 0.00005 0.00000 23 2 Cu 1S 0.00036 0.00176 0.99878 -0.00322 -0.00187 24 2S 0.00044 0.00269 0.00336 -0.00142 -0.00114 25 3S 0.00118 0.00136 0.01474 -0.00015 -0.00243 26 4PX 0.00001 0.00003 0.00056 0.00003 -0.00002 27 4PY -0.00002 -0.00012 -0.00202 -0.00012 -0.00012 28 4PZ -0.00001 -0.00004 -0.00049 -0.00004 0.00003 29 5PX -0.00005 0.00199 -0.00288 0.00009 -0.00102 30 5PY 0.00019 -0.00753 0.01312 -0.00001 -0.00021 31 5PZ 0.00008 -0.00359 0.00289 -0.00070 0.00139 32 6PX -0.00039 -0.00029 0.00055 0.00074 0.00023 33 6PY 0.00121 0.00145 -0.00052 -0.00038 -0.00024 34 6PZ 0.00139 0.00031 -0.00283 -0.00094 0.00080 35 7D 0 -0.00001 0.00000 -0.00070 0.00004 0.00001 36 7D+1 -0.00001 0.00000 -0.00020 0.00001 0.00000 37 7D-1 0.00002 -0.00001 0.00104 -0.00006 0.00003 38 7D+2 -0.00002 0.00000 -0.00113 0.00006 -0.00001 39 7D-2 -0.00001 0.00000 -0.00061 0.00003 -0.00002 40 8D 0 0.00006 -0.00016 0.00007 -0.00011 0.00006 41 8D+1 0.00004 -0.00009 0.00019 -0.00001 0.00006 42 8D-1 -0.00015 0.00036 -0.00065 0.00012 0.00000 43 8D+2 0.00016 -0.00038 0.00042 -0.00012 0.00019 44 8D-2 0.00009 -0.00021 0.00028 -0.00007 0.00000 45 3 Cu 1S -0.00007 0.00012 0.00035 0.00328 0.98305 46 2S -0.00011 0.00011 -0.00078 -0.00134 0.00916 47 3S 0.00002 -0.00064 -0.00264 -0.00337 0.00972 48 4PX 0.00000 0.00000 0.00004 0.00008 0.00405 49 4PY 0.00001 -0.00004 0.00007 0.00000 0.00076 50 4PZ 0.00000 0.00000 -0.00004 -0.00009 -0.00190 51 5PX 0.00001 -0.00017 0.00073 0.00113 -0.00275 52 5PY -0.00002 0.00042 0.00200 -0.00005 -0.00066 53 5PZ -0.00002 0.00009 -0.00087 -0.00174 0.00282 54 6PX 0.00034 0.00017 0.00018 0.00080 -0.00146 55 6PY -0.00086 -0.00012 0.00118 0.00089 -0.00038 56 6PZ 0.00003 0.00005 0.00030 -0.00046 0.00096 57 7D 0 0.00000 -0.00001 0.00001 -0.00001 -0.00025 58 7D+1 0.00000 0.00000 0.00000 0.00003 0.00000 59 7D-1 0.00000 0.00001 0.00001 0.00000 -0.00016 60 7D+2 0.00000 -0.00002 0.00002 -0.00002 0.00009 61 7D-2 0.00000 0.00000 -0.00001 0.00001 0.00002 62 8D 0 0.00000 0.00003 0.00001 -0.00007 -0.00003 63 8D+1 0.00000 -0.00003 0.00010 0.00011 -0.00028 64 8D-1 0.00001 -0.00008 0.00013 -0.00003 -0.00019 65 8D+2 -0.00001 0.00012 0.00003 0.00001 0.00011 66 8D-2 -0.00001 0.00000 -0.00011 -0.00003 0.00001 67 4 Cu 1S -0.00008 0.00013 0.00035 0.00295 0.19291 68 2S -0.00012 0.00013 -0.00077 -0.00136 0.00089 69 3S -0.00002 -0.00053 -0.00273 -0.00394 0.00138 70 4PX 0.00000 0.00001 -0.00004 -0.00004 -0.00074 71 4PY 0.00001 -0.00004 0.00006 -0.00001 -0.00010 72 4PZ 0.00000 0.00001 -0.00006 -0.00010 -0.00068 73 5PX 0.00000 -0.00003 -0.00103 -0.00052 -0.00062 74 5PY -0.00004 0.00046 0.00168 -0.00044 -0.00015 75 5PZ -0.00002 0.00015 -0.00118 -0.00216 0.00112 76 6PX 0.00005 -0.00014 -0.00041 -0.00065 -0.00044 77 6PY -0.00090 -0.00022 0.00113 0.00038 -0.00090 78 6PZ -0.00008 0.00001 -0.00003 -0.00076 0.00065 79 7D 0 0.00000 -0.00001 0.00001 -0.00002 0.00000 80 7D+1 0.00000 -0.00001 -0.00001 -0.00001 0.00001 81 7D-1 0.00000 0.00000 0.00001 0.00000 -0.00003 82 7D+2 0.00000 -0.00001 0.00001 0.00000 -0.00005 83 7D-2 0.00000 -0.00002 0.00002 -0.00001 -0.00001 84 8D 0 0.00000 0.00007 -0.00006 -0.00015 -0.00005 85 8D+1 -0.00001 0.00006 -0.00012 -0.00007 0.00012 86 8D-1 0.00001 -0.00004 0.00012 -0.00007 0.00000 87 8D+2 -0.00001 0.00007 0.00000 0.00001 0.00009 88 8D-2 0.00000 0.00010 0.00007 0.00004 0.00007 89 5 Cu 1S -0.00005 0.00020 0.00067 0.00379 0.00740 90 2S -0.00007 0.00024 -0.00063 -0.00063 -0.00070 91 3S 0.00003 -0.00161 -0.00126 -0.00320 -0.00156 92 4PX 0.00000 -0.00001 0.00008 0.00010 0.00007 93 4PY 0.00001 -0.00003 0.00005 -0.00002 -0.00002 94 4PZ 0.00000 -0.00002 0.00007 0.00005 0.00013 95 5PX 0.00001 0.00000 0.00090 0.00092 -0.00007 96 5PY 0.00000 0.00010 0.00095 -0.00044 -0.00073 97 5PZ 0.00000 0.00001 0.00033 -0.00040 0.00097 98 6PX -0.00006 0.00035 0.00027 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0.00211 134 2S -0.00016 -0.00147 0.00105 -0.00051 0.00241 135 3S 0.01287 -0.00413 0.00654 -0.00715 0.01677 136 4PX 0.13463 0.00079 -0.00056 -0.00032 0.00030 137 4PY 0.54763 -0.00123 0.00034 -0.00103 -0.00007 138 4PZ 0.82179 0.00071 0.00052 -0.00023 -0.00014 139 5PX 0.00444 -0.00129 0.00178 0.00000 0.00496 140 5PY 0.01225 -0.00158 0.00193 -0.00119 -0.00027 141 5PZ 0.01672 -0.00183 0.00102 -0.00039 0.00165 142 6PX -0.00209 0.00061 -0.00067 0.00690 0.00079 143 6PY -0.00029 -0.00313 0.00271 -0.01583 0.00695 144 6PZ -0.00624 0.00310 -0.00201 -0.01128 -0.00244 145 7D 0 0.00124 0.00000 0.00001 0.00001 -0.00005 146 7D+1 -0.00188 0.00003 -0.00004 0.00001 -0.00002 147 7D-1 -0.00023 0.00002 -0.00003 0.00000 0.00003 148 7D+2 0.00015 -0.00003 0.00001 0.00001 -0.00002 149 7D-2 -0.00137 0.00003 -0.00003 0.00001 0.00005 150 8D 0 0.00010 0.00007 -0.00008 -0.00004 0.00009 151 8D+1 -0.00033 -0.00017 0.00023 -0.00003 0.00015 152 8D-1 -0.00018 -0.00015 0.00018 -0.00005 -0.00017 153 8D+2 0.00005 0.00012 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6PY -0.04088 -0.00547 -0.02824 0.05543 0.01106 78 6PZ -0.00109 -0.00466 -0.00191 -0.00116 0.00605 79 7D 0 -0.00004 0.00121 0.00136 0.00345 -0.06077 80 7D+1 0.00141 0.00147 0.00058 0.00847 -0.13444 81 7D-1 -0.00136 -0.00112 -0.00085 -0.00614 0.01523 82 7D+2 -0.00048 0.00086 0.00103 -0.00008 -0.03878 83 7D-2 -0.00156 0.00066 -0.00010 -0.00501 -0.02529 84 8D 0 0.00076 0.00030 0.00060 0.00146 -0.02241 85 8D+1 0.00076 0.00050 0.00010 0.00279 -0.04853 86 8D-1 -0.00022 -0.00030 -0.00042 -0.00143 0.00539 87 8D+2 -0.00016 0.00045 0.00019 0.00028 -0.01310 88 8D-2 -0.00058 0.00046 0.00012 -0.00079 -0.01123 89 5 Cu 1S 0.00083 0.00021 -0.00012 -0.00196 0.00880 90 2S 0.00534 0.00085 0.00148 0.01885 -0.11177 91 3S 0.03903 0.00012 -0.01599 0.01690 -0.01141 92 4PX 0.00104 0.00000 -0.00040 0.00491 -0.01968 93 4PY 0.00090 0.00019 0.00048 0.00206 0.00361 94 4PZ 0.00085 0.00002 0.00017 0.00387 -0.01669 95 5PX -0.00924 0.00068 0.00047 -0.00752 0.01995 96 5PY -0.00340 -0.00166 0.00177 -0.00888 -0.00937 97 5PZ -0.00033 -0.00088 0.00077 -0.00694 0.00416 98 6PX -0.00936 0.00664 -0.00944 0.00179 -0.00822 99 6PY -0.00565 0.00595 0.03723 0.01811 0.00570 100 6PZ -0.00901 -0.00936 0.00578 -0.00537 0.03044 101 7D 0 -0.00032 -0.00020 0.00007 -0.00140 -0.01940 102 7D+1 0.00199 0.00040 -0.00155 0.01036 -0.09480 103 7D-1 0.00156 -0.00027 0.00105 0.00407 0.01532 104 7D+2 0.00046 -0.00065 -0.00245 0.00580 -0.05047 105 7D-2 0.00140 -0.00011 -0.00071 0.00409 0.02455 106 8D 0 -0.00046 0.00022 -0.00005 -0.00056 -0.00679 107 8D+1 0.00014 0.00028 -0.00050 0.00300 -0.03225 108 8D-1 -0.00003 0.00010 0.00056 0.00042 0.00347 109 8D+2 0.00044 -0.00022 -0.00094 0.00256 -0.01655 110 8D-2 -0.00035 -0.00007 -0.00032 0.00045 0.00921 111 6 Cu 1S -0.00080 0.00002 -0.00003 -0.00119 0.00818 112 2S 0.00028 -0.00006 0.00001 0.00507 -0.13617 113 3S 0.02330 -0.01405 -0.00153 -0.01703 0.04262 114 4PX -0.00007 0.00003 -0.00008 -0.00022 0.00284 115 4PY 0.00066 -0.00005 -0.00001 0.00167 -0.02645 116 4PZ -0.00017 -0.00009 -0.00003 -0.00046 0.00973 117 5PX -0.00023 -0.00082 0.00079 0.00097 -0.00051 118 5PY -0.00570 0.00401 0.00044 0.00163 0.01531 119 5PZ 0.00452 -0.00001 0.00006 -0.00575 -0.00844 120 6PX 0.00353 0.00148 -0.00783 -0.01875 -0.03018 121 6PY 0.00678 -0.00147 -0.00141 0.03844 0.04848 122 6PZ -0.01645 -0.00429 -0.00114 0.04798 0.06402 123 7D 0 -0.00006 -0.00010 -0.00002 -0.00067 0.03006 124 7D+1 0.00000 0.00004 -0.00002 -0.00006 0.00363 125 7D-1 -0.00009 -0.00009 -0.00003 -0.00137 0.04203 126 7D+2 -0.00022 -0.00009 -0.00001 -0.00259 0.09612 127 7D-2 -0.00007 -0.00001 -0.00005 -0.00073 0.02884 128 8D 0 -0.00009 0.00013 0.00001 -0.00010 0.00826 129 8D+1 -0.00009 -0.00007 0.00005 -0.00004 0.00198 130 8D-1 -0.00002 0.00018 0.00002 -0.00008 0.01528 131 8D+2 -0.00038 0.00009 0.00002 -0.00038 0.03349 132 8D-2 -0.00014 0.00000 -0.00005 -0.00013 0.00994 133 7 Cu 1S 0.00068 0.00021 0.00009 -0.00196 0.00866 134 2S 0.00520 0.00103 -0.00114 0.01894 -0.11151 135 3S 0.04121 -0.00836 0.01662 0.02531 -0.01666 136 4PX -0.00151 -0.00004 -0.00023 -0.00634 0.02152 137 4PY 0.00041 0.00029 -0.00054 0.00006 0.01096 138 4PZ 0.00038 0.00004 -0.00024 0.00183 -0.00923 139 5PX 0.00936 -0.00053 0.00149 0.01257 -0.01521 140 5PY 0.00018 -0.00235 -0.00189 -0.00440 -0.01555 141 5PZ 0.00299 -0.00096 -0.00073 -0.00319 -0.00256 142 6PX 0.01354 -0.00439 0.00572 -0.00799 -0.00025 143 6PY -0.00080 0.00643 -0.03735 0.02172 -0.00282 144 6PZ -0.00403 -0.01358 -0.00781 -0.00162 0.02241 145 7D 0 -0.00142 -0.00033 -0.00069 -0.00657 0.03018 146 7D+1 -0.00132 -0.00030 -0.00006 -0.00542 0.06325 147 7D-1 0.00049 -0.00022 -0.00121 0.00048 0.02734 148 7D+2 0.00197 -0.00088 0.00245 0.01003 -0.04481 149 7D-2 -0.00085 -0.00042 0.00152 0.00105 -0.06813 150 8D 0 -0.00042 0.00004 -0.00009 -0.00192 0.01047 151 8D+1 0.00020 -0.00044 0.00002 -0.00114 0.02239 152 8D-1 0.00015 0.00003 -0.00060 -0.00013 0.00758 153 8D+2 0.00009 -0.00022 0.00095 0.00293 -0.01462 154 8D-2 0.00050 -0.00022 0.00062 0.00166 -0.02302 155 8 Cu 1S -0.00053 0.00041 0.00002 0.00029 0.00184 156 2S -0.00039 0.00046 0.00002 0.00400 -0.07141 157 3S -0.03017 -0.02492 -0.00431 0.08068 -0.13302 158 4PX -0.00002 0.00003 -0.00014 -0.00037 0.00473 159 4PY 0.00008 -0.00011 -0.00004 0.00115 -0.01326 160 4PZ -0.00001 -0.00002 -0.00003 0.00046 -0.00761 161 5PX -0.00233 -0.00107 0.00212 0.00439 -0.01334 162 5PY 0.00700 0.00410 0.00109 -0.01330 0.04908 163 5PZ 0.00303 0.00136 0.00059 -0.00489 0.00852 164 6PX -0.00221 0.00133 0.00132 -0.00179 -0.00767 165 6PY -0.00265 0.00191 0.00017 -0.01461 -0.01850 166 6PZ -0.00078 -0.00399 -0.00002 0.02960 0.08681 167 7D 0 -0.00008 0.00000 0.00000 -0.00097 0.00643 168 7D+1 -0.00004 -0.00001 0.00000 -0.00048 0.01519 169 7D-1 0.00010 0.00001 0.00000 0.00132 -0.03232 170 7D+2 -0.00020 -0.00002 -0.00001 -0.00200 0.03887 171 7D-2 -0.00013 -0.00001 -0.00001 -0.00136 0.02687 172 8D 0 -0.00008 -0.00002 0.00001 -0.00070 0.00273 173 8D+1 0.00004 0.00009 0.00001 -0.00026 0.00477 174 8D-1 0.00001 -0.00019 -0.00004 0.00047 -0.00963 175 8D+2 0.00014 0.00015 0.00008 -0.00144 0.01374 176 8D-2 0.00005 0.00009 -0.00012 -0.00098 0.00909 177 9 C 1S -0.16377 -0.00123 -0.00064 -0.08696 -0.02665 178 2S 0.38959 0.00141 0.00107 0.16152 0.05898 179 3S 0.29093 0.00716 0.00228 0.25647 0.07423 180 4PX 0.00394 -0.06992 0.38842 -0.11758 -0.02029 181 4PY -0.01553 -0.16610 0.06068 0.45047 0.08529 182 4PZ -0.00590 0.36391 0.10231 0.18617 0.02792 183 5PX -0.01747 -0.01092 0.05825 -0.00324 -0.00457 184 5PY 0.07050 -0.02779 0.00841 0.01155 0.03091 185 5PZ 0.02632 0.05934 0.01542 0.00516 -0.00484 186 10 O 1S 0.12592 -0.00045 -0.00027 -0.03188 0.00168 187 2S -0.28515 0.00082 0.00050 0.05396 -0.01011 188 3S -0.37625 0.00199 0.00132 0.17730 0.01626 189 4PX -0.10021 -0.10360 0.59942 0.09140 0.00846 190 4PY 0.38873 -0.27051 0.08506 -0.36360 -0.06138 191 4PZ 0.16658 0.55313 0.15382 -0.16702 0.01173 192 5PX -0.02485 -0.03918 0.22608 0.01563 0.00046 193 5PY 0.09613 -0.10135 0.03261 -0.06413 -0.02036 194 5PZ 0.04160 0.20842 0.05822 -0.03203 0.01576 41 42 43 44 45 O O O O O EIGENVALUES -- -0.34406 -0.33504 -0.32985 -0.32788 -0.32475 1 1 Cu 1S 0.00007 -0.00280 0.00024 0.00005 -0.00280 2 2S 0.00101 0.12556 0.10476 -0.00290 -0.02961 3 3S -0.01081 -0.13547 0.07101 0.00009 -0.03343 4 4PX -0.02015 -0.00060 -0.00042 -0.00033 0.00161 5 4PY -0.00375 0.00481 -0.00471 -0.00019 -0.01543 6 4PZ -0.00401 0.00240 0.00972 -0.00036 0.00560 7 5PX 0.00052 0.00491 0.01349 0.00180 -0.00927 8 5PY -0.00349 -0.01494 -0.05352 0.00182 0.01696 9 5PZ 0.00002 -0.01855 -0.02297 0.00113 0.02473 10 6PX -0.15496 0.00311 0.04699 -0.04744 -0.00877 11 6PY -0.03416 -0.02073 -0.12802 -0.00040 -0.02773 12 6PZ -0.02991 0.02128 -0.00381 -0.00782 -0.00066 13 7D 0 -0.04931 -0.17465 0.00373 0.01517 0.22660 14 7D+1 -0.12806 0.05136 0.00112 0.04913 0.00676 15 7D-1 -0.06556 -0.07692 -0.13141 -0.00135 -0.28727 16 7D+2 0.10308 -0.11580 -0.13310 0.01694 0.11495 17 7D-2 -0.21230 -0.03316 -0.03238 -0.06541 0.10129 18 8D 0 -0.01666 -0.05805 0.00035 0.00466 0.07290 19 8D+1 -0.04307 0.01682 0.00053 0.01528 0.00311 20 8D-1 -0.02226 -0.02578 -0.04403 -0.00079 -0.09679 21 8D+2 0.03533 -0.04011 -0.04584 0.00618 0.03701 22 8D-2 -0.07285 -0.01167 -0.01131 -0.02265 0.03359 23 2 Cu 1S -0.00005 -0.00157 0.00020 0.00002 -0.00188 24 2S -0.00090 0.06083 -0.06574 0.00020 0.08054 25 3S -0.00088 0.01775 -0.04101 0.00118 -0.15847 26 4PX -0.01686 0.00598 0.00285 0.00083 -0.00876 27 4PY -0.00301 -0.01893 -0.00995 0.00061 0.03064 28 4PZ -0.00329 -0.01368 -0.00551 0.00030 0.01786 29 5PX 0.00123 -0.01071 0.00140 -0.00260 0.03144 30 5PY -0.00056 0.05740 -0.03214 -0.00065 -0.14000 31 5PZ -0.00004 0.00367 0.02262 -0.00056 -0.03341 32 6PX 0.03411 0.00005 -0.01519 0.01327 0.00407 33 6PY 0.00490 0.01000 0.00713 0.00199 -0.03733 34 6PZ 0.00505 -0.01497 0.04222 0.00279 0.03769 35 7D 0 0.04594 0.03237 0.51881 0.23343 0.29654 36 7D+1 0.11182 -0.02121 -0.25559 0.75019 0.02399 37 7D-1 0.14751 0.53632 0.13883 0.09809 -0.24450 38 7D+2 -0.25206 0.44771 -0.35149 -0.07420 0.35233 39 7D-2 0.61668 0.05209 -0.17086 -0.19349 0.18478 40 8D 0 0.01556 0.01322 0.16564 0.07349 0.09708 41 8D+1 0.03805 -0.00802 -0.08241 0.23627 0.00785 42 8D-1 0.04878 0.17314 0.04922 0.03119 -0.07730 43 8D+2 -0.08333 0.14365 -0.11141 -0.02427 0.11828 44 8D-2 0.20353 0.01645 -0.05515 -0.05857 0.06102 45 3 Cu 1S -0.00039 -0.00368 -0.00274 -0.00217 -0.00023 46 2S 0.05893 0.00676 0.02400 -0.04652 0.08655 47 3S 0.13812 -0.14622 0.01429 -0.16205 0.07534 48 4PX 0.00232 -0.00514 0.01141 -0.00092 0.01261 49 4PY 0.00718 -0.00461 -0.00896 -0.00719 -0.00152 50 4PZ -0.01391 -0.00539 0.00156 0.00502 0.00227 51 5PX -0.04900 0.03354 -0.01207 0.02291 -0.02951 52 5PY -0.01912 0.01519 -0.00522 0.04222 -0.03328 53 5PZ 0.03078 -0.03061 0.00038 -0.02633 0.01862 54 6PX -0.02168 -0.00947 0.00403 0.02201 0.00612 55 6PY 0.02355 -0.01092 -0.01376 0.00123 -0.02202 56 6PZ -0.02183 -0.01504 -0.00705 -0.00567 -0.00151 57 7D 0 0.07131 0.07542 -0.04531 0.02042 -0.13976 58 7D+1 -0.03863 0.01507 -0.03867 0.00888 0.04379 59 7D-1 -0.09197 -0.00348 0.10526 0.05164 0.07342 60 7D+2 -0.04536 -0.02551 0.10104 0.08323 0.02399 61 7D-2 0.01681 -0.11677 -0.03078 -0.00130 -0.10527 62 8D 0 0.02416 0.02547 -0.01628 0.00752 -0.04861 63 8D+1 -0.01530 0.00720 -0.01328 0.00318 0.01429 64 8D-1 -0.03325 -0.00080 0.03650 0.01839 0.02415 65 8D+2 -0.01300 -0.01098 0.03434 0.02934 0.00817 66 8D-2 0.00668 -0.04143 -0.00747 0.00050 -0.03557 67 4 Cu 1S 0.00065 -0.00361 -0.00265 0.00234 -0.00034 68 2S -0.06280 0.00984 0.02551 0.04477 0.08563 69 3S -0.13923 -0.13901 0.02258 0.16218 0.06857 70 4PX 0.00057 0.00791 -0.00742 -0.00144 -0.01128 71 4PY -0.00667 -0.00196 -0.01228 0.00724 -0.00579 72 4PZ 0.01482 -0.00363 -0.00210 -0.00522 -0.00202 73 5PX -0.04077 -0.02331 0.01234 0.02614 0.03040 74 5PY 0.00229 0.00299 -0.00180 -0.03391 -0.02300 75 5PZ -0.04789 -0.03873 0.00611 0.03478 0.02900 76 6PX -0.01805 0.01696 -0.00506 0.01669 0.00634 77 6PY -0.02846 -0.00409 -0.01294 0.00387 -0.02480 78 6PZ 0.01522 -0.01101 -0.00221 0.01330 -0.00215 79 7D 0 -0.08466 0.04974 -0.01760 -0.01523 -0.14651 80 7D+1 -0.01187 -0.07741 0.04242 0.00995 0.01221 81 7D-1 0.08880 0.01236 0.13488 -0.06087 0.09836 82 7D+2 0.03809 -0.08234 0.05316 -0.07035 -0.03488 83 7D-2 0.01627 0.07005 0.04318 -0.04379 0.06888 84 8D 0 -0.03042 0.01537 -0.00658 -0.00561 -0.05034 85 8D+1 -0.00731 -0.02877 0.01525 0.00369 0.00544 86 8D-1 0.03117 0.00391 0.04570 -0.02122 0.03286 87 8D+2 0.01151 -0.03008 0.01994 -0.02546 -0.01206 88 8D-2 0.00432 0.02388 0.01227 -0.01464 0.02339 89 5 Cu 1S -0.00271 -0.00037 -0.00158 0.00168 0.00183 90 2S 0.08121 0.09087 -0.02565 0.02087 0.01337 91 3S 0.07509 0.12098 -0.10280 0.10099 0.04869 92 4PX 0.01654 0.01565 0.00126 0.00615 -0.00448 93 4PY -0.00031 0.00314 -0.00720 0.00621 0.00497 94 4PZ 0.01410 0.00874 -0.01003 -0.00283 0.00096 95 5PX -0.04757 -0.04147 0.01113 -0.02423 -0.00343 96 5PY 0.00497 0.00137 0.01633 -0.01360 -0.02480 97 5PZ -0.03006 -0.03569 0.03954 -0.00680 0.00224 98 6PX 0.02580 -0.00216 0.02223 -0.01298 -0.01858 99 6PY 0.03306 0.01519 0.01807 0.01866 0.02593 100 6PZ 0.03134 -0.01445 -0.02234 -0.01351 -0.01971 101 7D 0 0.02089 -0.03304 -0.07704 -0.09888 0.02110 102 7D+1 0.12987 0.05981 -0.06903 0.00610 -0.06569 103 7D-1 0.00406 0.03737 -0.08511 0.02627 0.04462 104 7D+2 0.08253 0.05767 0.06673 0.00667 -0.09066 105 7D-2 0.01778 0.04178 -0.03294 0.08062 0.04164 106 8D 0 0.00873 -0.01048 -0.02875 -0.03574 0.00688 107 8D+1 0.04837 0.02082 -0.02550 0.00100 -0.02607 108 8D-1 -0.00049 0.01283 -0.03067 0.00663 0.01547 109 8D+2 0.03259 0.02008 0.02423 0.00150 -0.03119 110 8D-2 0.00499 0.01347 -0.00862 0.02833 0.01586 111 6 Cu 1S 0.00003 0.00151 -0.00370 0.00003 -0.00029 112 2S -0.00041 0.06826 0.08625 -0.00191 0.09266 113 3S -0.00143 0.13926 0.08595 0.00142 0.11508 114 4PX -0.00148 0.00102 -0.00005 0.00345 -0.00361 115 4PY -0.00049 0.00672 0.01403 0.00033 0.01897 116 4PZ -0.00045 -0.01050 -0.01209 0.00076 0.00047 117 5PX -0.00767 0.00383 0.00040 -0.00941 0.00801 118 5PY -0.00275 -0.04257 -0.04340 -0.00085 -0.05618 119 5PZ -0.00222 0.02023 0.03570 -0.00082 0.01045 120 6PX -0.00536 0.00945 -0.00817 0.01183 -0.01461 121 6PY -0.00157 -0.03053 0.04138 -0.00063 0.03881 122 6PZ -0.00064 -0.01150 0.00335 0.00109 0.02526 123 7D 0 -0.00067 0.05914 0.01927 0.00088 -0.09877 124 7D+1 -0.00917 -0.01615 -0.00972 0.00049 0.00674 125 7D-1 -0.00527 -0.04578 -0.08109 0.00754 -0.00093 126 7D+2 0.00917 -0.01384 -0.08123 -0.01157 -0.12241 127 7D-2 -0.01388 0.00439 -0.01496 0.03513 -0.04944 128 8D 0 -0.00084 0.02043 0.00622 0.00068 -0.03521 129 8D+1 -0.00456 -0.00573 -0.00353 0.00097 0.00224 130 8D-1 -0.00188 -0.01595 -0.02942 0.00281 -0.00063 131 8D+2 0.00271 -0.00575 -0.03054 -0.00413 -0.04415 132 8D-2 -0.00299 0.00119 -0.00582 0.01214 -0.01775 133 7 Cu 1S 0.00293 -0.00040 -0.00168 -0.00163 0.00171 134 2S -0.08090 0.09226 -0.02583 -0.02180 0.01277 135 3S -0.07123 0.11900 -0.09681 -0.09754 0.04072 136 4PX 0.01918 -0.01798 0.00497 0.00669 0.00207 137 4PY 0.00660 -0.00295 -0.00677 -0.00367 0.00607 138 4PZ 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-0.00693 -0.07878 158 4PX 0.00160 -0.00425 -0.00343 0.00044 0.00191 159 4PY 0.00128 0.01010 0.00753 0.00008 -0.00811 160 4PZ 0.00065 0.00841 0.00744 -0.00003 0.00119 161 5PX -0.00268 0.01008 0.00729 0.00033 -0.00977 162 5PY -0.00587 -0.02797 -0.02427 0.00077 0.03454 163 5PZ -0.00327 -0.01280 -0.00675 0.00182 0.00668 164 6PX 0.03222 -0.00294 -0.00677 0.00328 0.00127 165 6PY 0.00611 0.01076 -0.00463 0.00239 -0.01358 166 6PZ 0.00551 0.00017 0.02583 -0.00066 0.02228 167 7D 0 -0.00029 0.00185 0.01066 0.00101 0.05200 168 7D+1 0.00215 -0.02683 -0.02652 0.00391 -0.00039 169 7D-1 0.00681 0.06393 0.05783 0.00283 -0.01637 170 7D+2 -0.01466 -0.03424 -0.02697 -0.00435 0.05520 171 7D-2 0.01571 -0.03306 -0.02860 0.00625 0.03566 172 8D 0 -0.00003 0.00129 0.00319 0.00017 0.01770 173 8D+1 0.00053 -0.00971 -0.00954 0.00113 -0.00016 174 8D-1 0.00253 0.02265 0.02033 0.00092 -0.00658 175 8D+2 -0.00522 -0.01180 -0.01077 -0.00149 0.01773 176 8D-2 0.00582 -0.01168 -0.01085 0.00247 0.01206 177 9 C 1S 0.00005 0.01051 0.01214 -0.00032 -0.02848 178 2S 0.00003 -0.02511 -0.02139 0.00061 0.06173 179 3S -0.00096 -0.02443 -0.07309 0.00172 0.09713 180 4PX -0.03090 0.01144 0.01101 -0.01097 -0.02161 181 4PY -0.00554 -0.01852 -0.02746 -0.00121 0.08955 182 4PZ -0.00596 -0.04176 -0.03265 -0.00104 0.02697 183 5PX -0.03379 0.00320 0.00749 -0.01016 0.00042 184 5PY -0.00588 0.00840 -0.00569 -0.00170 0.01047 185 5PZ -0.00644 -0.02435 -0.03486 -0.00119 -0.01604 186 10 O 1S -0.00001 -0.00102 -0.00198 0.00004 0.00487 187 2S 0.00000 0.00427 0.00677 -0.00015 -0.01551 188 3S 0.00024 -0.00195 0.00442 -0.00009 -0.01441 189 4PX 0.09836 -0.01373 -0.01248 0.02754 0.01569 190 4PY 0.01754 -0.01747 0.00779 0.00482 -0.07762 191 4PZ 0.01890 0.08499 0.05937 0.00337 -0.00204 192 5PX 0.05966 -0.00649 -0.00623 0.01658 0.00428 193 5PY 0.01071 -0.01712 -0.00298 0.00305 -0.02845 194 5PZ 0.01150 0.04825 0.03639 0.00206 0.00925 46 47 48 49 50 O O O O O EIGENVALUES -- -0.31851 -0.30826 -0.30658 -0.30601 -0.30247 1 1 Cu 1S -0.00302 0.00022 0.00034 -0.00030 -0.00024 2 2S 0.01339 0.03286 0.05665 -0.06794 0.01177 3 3S -0.36246 0.08234 0.08395 -0.08977 0.01976 4 4PX 0.00106 -0.00792 0.01405 0.00928 0.00858 5 4PY 0.00868 0.02549 -0.00505 0.01725 0.00068 6 4PZ -0.01326 0.00197 0.00593 -0.00215 0.00281 7 5PX -0.01970 0.03360 -0.02900 -0.03046 0.00923 8 5PY 0.05360 -0.09192 -0.01024 -0.02195 0.00366 9 5PZ 0.06852 -0.02850 -0.04523 0.03705 -0.00629 10 6PX 0.00528 0.01241 0.10557 0.06585 0.11700 11 6PY 0.01503 0.04209 -0.00424 0.05279 0.02656 12 6PZ 0.05468 -0.06233 -0.02931 0.06206 0.01663 13 7D 0 -0.29863 -0.00298 -0.02046 0.30501 -0.02026 14 7D+1 0.06105 -0.03396 0.54325 0.20195 0.04621 15 7D-1 0.12230 0.23679 -0.12274 0.34531 0.06447 16 7D+2 -0.06993 0.51111 0.16696 -0.17467 -0.22353 17 7D-2 -0.05638 0.18760 -0.02678 -0.13103 0.58357 18 8D 0 -0.10028 -0.00092 -0.00636 0.10028 -0.00660 19 8D+1 0.02077 -0.01141 0.17965 0.06675 0.01466 20 8D-1 0.03856 0.07875 -0.04034 0.11274 0.02134 21 8D+2 -0.02373 0.16949 0.05680 -0.05794 -0.07364 22 8D-2 -0.01872 0.06249 -0.01071 -0.04501 0.19255 23 2 Cu 1S -0.00197 -0.00244 -0.00080 0.00053 0.00001 24 2S 0.16282 0.00240 -0.03744 0.04366 -0.00155 25 3S 0.29571 -0.14279 -0.15195 0.14921 -0.00794 26 4PX 0.00247 -0.00017 0.00126 0.00636 0.00703 27 4PY -0.01588 -0.00640 0.01313 -0.01590 0.00178 28 4PZ 0.00202 0.00473 0.00019 0.00268 0.00022 29 5PX -0.03135 0.02122 0.03517 -0.00964 0.00911 30 5PY 0.16754 -0.07619 -0.09776 0.10801 -0.00557 31 5PZ 0.00987 -0.05384 -0.01646 0.01275 0.00202 32 6PX -0.00451 -0.00008 -0.03394 -0.02852 0.03374 33 6PY 0.00412 0.00183 -0.00647 -0.00058 0.00760 34 6PZ -0.02348 0.01330 -0.02463 0.01929 0.00502 35 7D 0 0.39167 0.22825 -0.09919 0.14529 0.01672 36 7D+1 -0.06165 -0.07974 -0.01061 -0.08360 0.11129 37 7D-1 -0.28448 0.14173 -0.08158 0.18180 0.05592 38 7D+2 0.08409 0.04180 -0.10026 0.03216 -0.14625 39 7D-2 0.07531 -0.03324 0.12548 0.14508 0.28766 40 8D 0 0.12210 0.06886 -0.02986 0.04368 0.00547 41 8D+1 -0.01821 -0.02523 -0.00338 -0.02520 0.03463 42 8D-1 -0.09230 0.04732 -0.02449 0.05735 0.01766 43 8D+2 0.02786 0.01089 -0.03257 0.00897 -0.04598 44 8D-2 0.02475 -0.01221 0.04139 0.04718 0.09003 45 3 Cu 1S -0.00059 -0.00071 -0.00231 -0.00055 0.00077 46 2S 0.01087 0.04983 -0.06012 -0.03302 -0.00062 47 3S -0.05121 0.09837 -0.22382 -0.09053 -0.02890 48 4PX -0.00720 0.00236 -0.00808 0.00265 -0.00032 49 4PY 0.01799 0.00014 -0.00103 0.00925 -0.00351 50 4PZ 0.00023 -0.01037 0.00741 0.01208 0.00133 51 5PX 0.01842 -0.02310 0.06144 0.01982 0.01561 52 5PY -0.00376 0.01169 -0.01101 0.00472 0.00490 53 5PZ -0.01403 0.02853 -0.04852 -0.02334 0.00394 54 6PX -0.01815 -0.01442 -0.01242 0.02547 -0.00581 55 6PY 0.03744 0.00636 0.00881 -0.01567 0.00170 56 6PZ -0.00076 -0.01987 -0.03464 0.01156 0.00827 57 7D 0 0.02043 0.17104 -0.01791 -0.23966 -0.09067 58 7D+1 0.08077 -0.04824 0.09051 0.06311 0.01542 59 7D-1 -0.06537 0.02001 -0.01039 -0.13800 0.06386 60 7D+2 -0.19460 0.01483 -0.07956 0.09700 -0.07141 61 7D-2 0.22684 -0.01517 0.01061 0.11977 -0.04547 62 8D 0 0.00777 0.05794 -0.00473 -0.08148 -0.02898 63 8D+1 0.02948 -0.01689 0.03317 0.02103 0.00622 64 8D-1 -0.01790 0.00783 -0.00381 -0.04799 0.02327 65 8D+2 -0.06784 0.00352 -0.02923 0.03328 -0.02427 66 8D-2 0.07672 -0.00469 0.00403 0.03773 -0.01690 67 4 Cu 1S -0.00054 -0.00137 0.00092 0.00198 -0.00151 68 2S 0.01289 0.02885 0.05400 0.05960 -0.00138 69 3S -0.04404 0.03558 0.15257 0.21897 -0.00615 70 4PX 0.00006 0.00066 0.00841 -0.00682 0.00103 71 4PY 0.01909 0.00166 -0.00757 0.00045 0.00280 72 4PZ 0.00117 -0.00621 -0.01333 -0.00899 -0.00200 73 5PX -0.00875 -0.00015 0.01757 0.03381 0.01234 74 5PY -0.00718 0.01107 0.01145 0.03202 -0.00451 75 5PZ -0.01739 0.01270 0.04944 0.06283 -0.00811 76 6PX -0.00045 0.01170 0.01550 -0.01694 0.00340 77 6PY 0.04284 0.00791 0.02206 -0.01966 -0.00067 78 6PZ 0.00374 -0.01586 0.00736 0.02393 -0.01646 79 7D 0 -0.02867 0.11141 0.22640 0.06075 0.12197 80 7D+1 -0.06216 -0.04640 -0.16530 0.09335 -0.02757 81 7D-1 -0.18075 -0.01454 0.14607 0.01306 -0.05337 82 7D+2 0.01525 0.01945 -0.09909 0.06319 0.04205 83 7D-2 -0.24412 0.00597 -0.00401 0.05425 0.00919 84 8D 0 -0.01072 0.03766 0.07704 0.02109 0.04035 85 8D+1 -0.02477 -0.01630 -0.05606 0.03496 -0.00751 86 8D-1 -0.05830 -0.00468 0.05027 0.00588 -0.01968 87 8D+2 0.00514 0.00548 -0.03196 0.02137 0.01484 88 8D-2 -0.08462 0.00062 -0.00377 0.01961 0.00196 89 5 Cu 1S -0.00199 -0.00150 0.00477 -0.00022 -0.00046 90 2S 0.05854 0.05556 0.01304 -0.04035 -0.03585 91 3S 0.04470 0.02231 0.13471 -0.06904 -0.10152 92 4PX 0.00925 0.00762 0.00411 -0.00404 -0.00759 93 4PY 0.00324 -0.00909 -0.00473 0.00911 0.00218 94 4PZ 0.00512 0.00568 -0.00578 -0.00413 -0.00218 95 5PX -0.02272 -0.01452 -0.03631 0.02443 0.02794 96 5PY 0.01822 0.01230 0.02141 -0.00523 0.00179 97 5PZ -0.00131 -0.01149 -0.00580 0.01956 0.01592 98 6PX -0.00046 0.00349 -0.00890 -0.00592 -0.01515 99 6PY -0.00007 -0.03262 -0.03138 0.00127 0.00200 100 6PZ -0.00511 0.01311 -0.04420 -0.02292 -0.00806 101 7D 0 -0.02149 -0.01938 -0.07348 0.02385 0.05610 102 7D+1 0.04414 0.08261 -0.09886 -0.04373 -0.03239 103 7D-1 0.01201 -0.09797 0.03862 0.13302 0.06711 104 7D+2 0.03390 -0.00571 0.05650 0.04902 -0.14057 105 7D-2 0.03124 -0.13955 -0.11055 0.17116 0.12897 106 8D 0 -0.00867 -0.00730 -0.02402 0.00907 0.01835 107 8D+1 0.01581 0.03053 -0.03510 -0.01877 -0.01369 108 8D-1 0.00200 -0.03397 0.01341 0.04611 0.02189 109 8D+2 0.01007 -0.00337 0.01946 0.01695 -0.04897 110 8D-2 0.01037 -0.04810 -0.03802 0.05706 0.04148 111 6 Cu 1S 0.00180 -0.00080 -0.00170 0.00188 -0.00013 112 2S -0.05000 -0.06879 0.04569 -0.07169 0.01214 113 3S 0.03808 -0.18220 0.02921 -0.08946 0.02395 114 4PX 0.00326 -0.00382 0.00958 0.00407 -0.00744 115 4PY -0.01544 -0.00531 0.00515 -0.00453 -0.00069 116 4PZ -0.00108 0.01557 -0.00661 0.01485 -0.00375 117 5PX -0.00581 -0.00147 -0.00455 0.00092 0.02491 118 5PY 0.02677 0.04797 -0.01609 0.03042 -0.00006 119 5PZ 0.00752 -0.03359 0.01382 -0.02857 0.01084 120 6PX 0.01297 -0.02272 0.01275 0.02717 -0.02495 121 6PY -0.06937 0.04253 0.02686 -0.01726 -0.00406 122 6PZ 0.00924 0.03831 0.03254 -0.03165 -0.00013 123 7D 0 0.13709 -0.22470 0.02409 -0.15418 0.06501 124 7D+1 -0.01702 0.08436 -0.12435 -0.06240 0.11362 125 7D-1 0.02244 0.12760 -0.06960 0.14553 -0.02551 126 7D+2 0.17431 0.03621 -0.01293 -0.06090 0.03333 127 7D-2 0.06607 -0.04190 0.19415 0.08714 -0.12939 128 8D 0 0.04790 -0.07557 0.00728 -0.05277 0.02304 129 8D+1 -0.00512 0.02911 -0.04438 -0.02289 0.04128 130 8D-1 0.00766 0.04366 -0.02481 0.04978 -0.00836 131 8D+2 0.06457 0.01361 -0.00323 -0.02082 0.01163 132 8D-2 0.02453 -0.01386 0.06648 0.02897 -0.04535 133 7 Cu 1S -0.00194 -0.00045 -0.00104 -0.00456 0.00062 134 2S 0.05889 0.05206 0.04326 -0.00603 0.04639 135 3S 0.05327 0.06217 0.03470 -0.12404 0.12500 136 4PX -0.01099 -0.00565 -0.00187 -0.00149 -0.00786 137 4PY -0.00031 -0.01086 -0.01085 0.00460 -0.00661 138 4PZ 0.00161 0.00101 0.00521 0.00619 -0.00082 139 5PX 0.01549 0.01819 0.01844 -0.02359 0.03740 140 5PY 0.02651 0.02520 0.01115 -0.02921 0.01387 141 5PZ 0.00535 -0.00288 -0.01216 -0.00555 -0.00642 142 6PX -0.00150 0.00954 -0.01311 -0.02935 -0.01251 143 6PY 0.00853 -0.02923 -0.00704 0.01401 -0.01303 144 6PZ 0.00217 0.00768 0.02930 0.03251 0.00027 145 7D 0 -0.03823 -0.05137 -0.04249 -0.00004 -0.05660 146 7D+1 -0.01046 -0.01281 -0.05580 -0.08857 0.05560 147 7D-1 -0.00516 -0.02409 -0.11854 -0.10213 0.00019 148 7D+2 0.05587 -0.06447 -0.15723 0.06967 0.00067 149 7D-2 -0.00244 0.13938 0.12326 -0.04965 0.23003 150 8D 0 -0.01461 -0.01866 -0.01782 -0.00134 -0.02022 151 8D+1 -0.00315 -0.00565 -0.02102 -0.03076 0.01695 152 8D-1 -0.00382 -0.00877 -0.04278 -0.03523 -0.00082 153 8D+2 0.01744 -0.02293 -0.05281 0.02406 0.00392 154 8D-2 -0.00052 0.04777 0.04188 -0.01704 0.07756 155 8 Cu 1S -0.00080 0.00415 -0.00138 0.00256 -0.00041 156 2S 0.02656 -0.06379 0.02162 -0.03965 0.00123 157 3S 0.04712 0.04963 -0.02712 0.05879 -0.01815 158 4PX -0.00223 0.00555 0.00117 0.00290 -0.00688 159 4PY 0.00738 -0.01045 0.00137 -0.00347 -0.00237 160 4PZ 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0.00679 -0.00293 180 4PX -0.00180 0.00429 -0.01444 -0.00595 -0.03167 181 4PY 0.01627 0.00559 0.00538 -0.00954 -0.00750 182 4PZ -0.00330 -0.02332 0.01671 -0.03053 -0.00286 183 5PX -0.00709 0.01060 -0.00631 -0.01343 -0.02153 184 5PY 0.02733 -0.02590 -0.01770 0.01145 -0.00565 185 5PZ 0.01598 -0.02430 -0.00629 -0.00157 -0.00404 186 10 O 1S 0.00149 0.00000 0.00071 -0.00090 -0.00002 187 2S -0.00482 0.00195 -0.00174 0.00264 0.00014 188 3S -0.00490 -0.00842 -0.00371 0.00281 -0.00017 189 4PX 0.00178 -0.00713 0.02349 0.01739 0.05646 190 4PY -0.02799 -0.01598 0.00722 -0.00375 0.01294 191 4PZ 0.01114 0.04271 -0.02344 0.04728 0.00497 192 5PX 0.00131 -0.00505 0.01408 0.01329 0.03375 193 5PY -0.01494 -0.00680 0.00849 -0.00631 0.00765 194 5PZ 0.00320 0.02543 -0.00945 0.02301 0.00346 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29886 -0.28982 -0.28830 -0.28700 -0.28374 1 1 Cu 1S -0.00318 0.00025 -0.00008 -0.00032 0.00003 2 2S -0.03279 0.00912 0.00015 -0.01868 -0.00382 3 3S -0.32704 -0.00860 0.00366 0.02409 0.01355 4 4PX 0.00132 -0.00020 0.00371 0.00012 0.00690 5 4PY -0.00143 0.00278 0.00025 -0.00938 0.00177 6 4PZ -0.00679 -0.00040 0.00095 0.00620 0.00221 7 5PX -0.01073 -0.00123 -0.01114 -0.00036 -0.07011 8 5PY -0.00237 0.00366 -0.00322 0.04496 -0.01821 9 5PZ 0.06342 0.00606 -0.00501 -0.02765 -0.02106 10 6PX 0.05315 0.01053 0.02252 0.02990 -0.00959 11 6PY -0.15353 0.03454 0.00845 -0.14663 -0.00388 12 6PZ -0.03945 -0.02747 0.00526 0.02317 0.00450 13 7D 0 -0.20211 -0.08252 0.00077 0.31283 0.05697 14 7D+1 0.04249 0.05487 -0.01063 -0.10834 0.04095 15 7D-1 0.08390 -0.05793 0.02343 -0.05100 0.01628 16 7D+2 0.00989 0.10081 -0.07299 -0.07996 -0.00055 17 7D-2 -0.00593 0.07212 0.14352 -0.03073 0.05411 18 8D 0 -0.06706 -0.02713 0.00006 0.09906 0.01903 19 8D+1 0.01409 0.01793 -0.00411 -0.03427 0.01487 20 8D-1 0.02636 -0.01955 0.00756 -0.01653 0.00537 21 8D+2 0.00231 0.03258 -0.02330 -0.02541 -0.00009 22 8D-2 -0.00198 0.02344 0.04606 -0.00969 0.01674 23 2 Cu 1S 0.00034 -0.00080 0.00005 -0.00089 0.00011 24 2S -0.02815 -0.00440 0.00069 -0.01309 -0.00143 25 3S -0.16154 -0.12323 0.00274 -0.14781 0.00469 26 4PX -0.00032 0.00043 0.00731 -0.00139 -0.01702 27 4PY 0.00053 0.00161 0.00146 0.00529 -0.00280 28 4PZ 0.00010 0.00097 0.00093 0.00436 -0.00207 29 5PX 0.00093 0.00004 -0.03705 0.00488 0.05159 30 5PY -0.01442 -0.03449 -0.00836 -0.03313 0.01229 31 5PZ 0.01030 0.01055 -0.00753 0.00428 0.00541 32 6PX 0.00072 0.00005 -0.01109 0.00745 -0.01176 33 6PY 0.00744 -0.01860 -0.00042 -0.03409 -0.00398 34 6PZ -0.02434 -0.00429 0.00034 -0.01529 -0.00236 35 7D 0 -0.02143 -0.11457 0.00523 0.11276 0.04897 36 7D+1 -0.00744 0.04138 -0.02502 -0.03705 0.10707 37 7D-1 -0.01485 0.09192 -0.01447 0.00438 0.01041 38 7D+2 -0.10184 0.12204 -0.02349 0.02387 0.04168 39 7D-2 -0.03925 0.03655 0.03080 0.01037 -0.13967 40 8D 0 -0.00693 -0.03179 0.00212 0.03327 0.01334 41 8D+1 -0.00194 0.01162 -0.00499 -0.01071 0.02932 42 8D-1 -0.00410 0.02699 -0.00368 0.00135 0.00248 43 8D+2 -0.02944 0.03454 -0.00765 0.00814 0.01321 44 8D-2 -0.01153 0.01040 0.01022 0.00352 -0.04243 45 3 Cu 1S 0.00153 -0.00003 -0.00180 0.00037 0.00088 46 2S 0.07410 0.01737 -0.03832 0.01594 0.04094 47 3S 0.06819 0.09056 -0.12035 0.06554 0.02028 48 4PX 0.00842 0.00424 -0.00651 -0.00369 -0.00307 49 4PY -0.00473 0.00643 0.00651 0.00480 0.00251 50 4PZ 0.00481 0.00130 -0.00238 -0.00486 -0.00731 51 5PX -0.04062 -0.02480 0.04039 0.00117 -0.00012 52 5PY 0.01196 -0.01116 -0.02427 -0.02185 0.00631 53 5PZ -0.00246 0.00916 0.00972 0.01526 0.01348 54 6PX -0.02639 0.00477 -0.00193 -0.05295 -0.01771 55 6PY 0.01795 0.01271 0.01729 0.04599 0.01058 56 6PZ 0.00858 0.01826 -0.02921 -0.02454 -0.04351 57 7D 0 -0.04391 -0.02920 0.25186 0.35025 0.10689 58 7D+1 0.36355 0.18369 0.06137 0.08496 0.18350 59 7D-1 -0.11412 0.13940 -0.11573 -0.06736 -0.29652 60 7D+2 0.10772 0.37021 0.14856 0.04483 -0.06518 61 7D-2 -0.16116 0.36151 0.17960 0.04507 -0.11469 62 8D 0 -0.01357 -0.00929 0.08367 0.11632 0.03339 63 8D+1 0.12282 0.05974 0.02001 0.02921 0.05965 64 8D-1 -0.04022 0.04736 -0.03779 -0.02322 -0.09921 65 8D+2 0.03676 0.12205 0.04984 0.01445 -0.02194 66 8D-2 -0.05545 0.12069 0.05951 0.01518 -0.03699 67 4 Cu 1S 0.00145 0.00025 0.00169 0.00034 -0.00072 68 2S 0.07105 0.02443 0.03661 0.01831 -0.05217 69 3S 0.05826 0.11013 0.09016 0.06627 -0.02140 70 4PX -0.00746 -0.00715 -0.00294 0.00383 -0.00431 71 4PY -0.00727 0.00284 -0.00912 0.00671 -0.00382 72 4PZ 0.00234 -0.00040 0.00034 -0.00428 0.00715 73 5PX 0.03039 0.02856 0.02675 -0.00012 0.00470 74 5PY 0.02362 0.00488 0.03243 -0.02272 -0.00040 75 5PZ 0.00757 0.01675 -0.00308 0.01742 -0.01733 76 6PX 0.00577 -0.01812 -0.00114 0.03749 -0.02810 77 6PY 0.02484 0.00505 -0.02466 0.06517 -0.01563 78 6PZ 0.01659 0.02086 0.02106 -0.00904 0.04123 79 7D 0 -0.21876 -0.13042 -0.18121 0.25678 0.05256 80 7D+1 -0.19071 0.02227 0.05161 -0.23045 0.20962 81 7D-1 -0.13985 0.05438 0.15528 -0.14836 0.28064 82 7D+2 0.05957 0.49615 -0.34522 0.10862 0.12720 83 7D-2 0.26985 -0.03137 0.00659 0.05383 -0.17983 84 8D 0 -0.07278 -0.04261 -0.06079 0.08478 0.01829 85 8D+1 -0.06484 0.00761 0.01693 -0.07693 0.06722 86 8D-1 -0.04856 0.01885 0.05045 -0.05039 0.09309 87 8D+2 0.01943 0.16438 -0.11470 0.03607 0.04220 88 8D-2 0.09275 -0.01196 0.00239 0.01778 -0.05840 89 5 Cu 1S 0.00329 -0.00101 0.00192 0.00093 -0.00022 90 2S 0.02558 0.01882 -0.00334 0.00392 0.05069 91 3S 0.09485 0.04536 0.04901 0.02505 0.08318 92 4PX -0.00226 0.00131 -0.00206 -0.00307 0.00142 93 4PY -0.00375 -0.00285 -0.00197 -0.00104 0.00131 94 4PZ 0.00617 0.00104 0.00119 0.00411 0.00882 95 5PX -0.00838 -0.00692 -0.00668 -0.00963 -0.02057 96 5PY 0.01384 0.00907 0.00673 -0.00431 0.01060 97 5PZ -0.03333 -0.00531 -0.00798 -0.00502 -0.02173 98 6PX -0.02328 -0.01686 -0.00367 0.01151 0.00104 99 6PY 0.00593 -0.01529 -0.00984 0.01121 -0.00042 100 6PZ -0.01690 -0.00007 -0.00716 -0.01817 0.00741 101 7D 0 0.10962 -0.09370 0.11343 0.24182 0.30696 102 7D+1 -0.03772 -0.04068 0.03852 0.04222 0.04876 103 7D-1 -0.08707 -0.02932 -0.10504 -0.16679 -0.04621 104 7D+2 -0.00824 -0.03273 -0.07194 -0.11442 -0.09291 105 7D-2 -0.03289 -0.01498 0.00715 0.05230 0.05685 106 8D 0 0.03793 -0.03272 0.03677 0.08037 0.10385 107 8D+1 -0.01338 -0.01500 0.01414 0.01404 0.01649 108 8D-1 -0.02932 -0.01190 -0.03612 -0.05657 -0.01425 109 8D+2 -0.00317 -0.01193 -0.02486 -0.03680 -0.03049 110 8D-2 -0.01039 -0.00477 0.00162 0.01800 0.01787 111 6 Cu 1S 0.00124 -0.00240 0.00018 -0.00146 0.00001 112 2S 0.07523 -0.06747 0.00612 -0.03089 0.00273 113 3S -0.02107 -0.15428 0.02663 -0.08172 -0.01788 114 4PX -0.00169 0.00234 0.00856 0.00063 0.00018 115 4PY 0.00503 -0.00698 0.00297 -0.00339 -0.00188 116 4PZ 0.00424 -0.00147 0.00226 -0.00083 -0.00237 117 5PX 0.00919 -0.01211 -0.00670 -0.00184 -0.00293 118 5PY -0.01906 0.04797 -0.00978 0.02421 0.00623 119 5PZ -0.02365 0.01483 -0.00292 -0.01544 0.00075 120 6PX -0.01456 0.00182 0.02988 -0.01563 0.00057 121 6PY 0.04921 0.01719 0.00210 0.03502 -0.00547 122 6PZ 0.02418 -0.01647 0.00918 0.04899 -0.01304 123 7D 0 0.08903 0.10570 0.05446 0.18209 -0.01258 124 7D+1 -0.12111 0.01986 0.18806 -0.01799 -0.30242 125 7D-1 0.37514 -0.13813 0.12978 -0.20133 -0.03434 126 7D+2 -0.04521 -0.02809 -0.22405 -0.00600 0.08140 127 7D-2 -0.10360 0.06980 0.45479 0.02927 -0.05321 128 8D 0 0.03183 0.03528 0.01879 0.06157 -0.00537 129 8D+1 -0.04190 0.00709 0.06402 -0.00665 -0.10316 130 8D-1 0.12881 -0.04710 0.04362 -0.06559 -0.01186 131 8D+2 -0.01644 -0.00933 -0.07500 -0.00228 0.02749 132 8D-2 -0.03593 0.02355 0.15133 0.00940 -0.01738 133 7 Cu 1S 0.00343 -0.00137 -0.00172 0.00084 0.00045 134 2S 0.02459 0.02022 0.00314 0.00780 -0.06124 135 3S 0.10421 0.04496 -0.04117 0.03524 -0.10280 136 4PX 0.00125 -0.00108 -0.00224 0.00142 0.00542 137 4PY -0.00302 -0.00291 0.00159 -0.00033 0.00048 138 4PZ 0.00656 0.00032 -0.00171 0.00593 -0.00890 139 5PX 0.01366 0.00536 -0.00311 0.01309 -0.02636 140 5PY 0.01713 0.01093 -0.00981 0.00111 -0.02158 141 5PZ -0.02868 -0.00249 0.00356 -0.00267 0.01826 142 6PX 0.02326 0.01738 -0.00923 -0.00796 0.00044 143 6PY 0.01662 -0.00307 0.00883 0.00869 0.00109 144 6PZ -0.00477 0.01038 0.00514 -0.01888 -0.01124 145 7D 0 0.11813 -0.06365 -0.05138 0.20116 -0.24217 146 7D+1 -0.01029 0.09365 0.05835 -0.15323 0.18939 147 7D-1 -0.06042 0.01934 0.11891 -0.23456 0.12553 148 7D+2 -0.03791 -0.04551 0.05246 -0.04515 -0.00792 149 7D-2 0.04200 -0.00751 0.01246 -0.04518 0.05619 150 8D 0 0.04107 -0.02115 -0.01545 0.06715 -0.08177 151 8D+1 -0.00342 0.03349 0.01936 -0.05026 0.06454 152 8D-1 -0.02042 0.00524 0.04095 -0.07898 0.04093 153 8D+2 -0.01259 -0.01633 0.01902 -0.01400 -0.00317 154 8D-2 0.01325 -0.00294 0.00378 -0.01438 0.01789 155 8 Cu 1S 0.00251 0.00067 -0.00014 0.00063 -0.00003 156 2S 0.05298 -0.02303 -0.00256 -0.01212 0.00874 157 3S 0.19174 -0.00507 -0.00964 0.01222 0.01755 158 4PX -0.00288 0.00064 -0.00431 0.00013 0.00243 159 4PY 0.00006 -0.00096 -0.00095 0.00042 0.00029 160 4PZ 0.01077 -0.00327 -0.00165 -0.00202 0.00322 161 5PX 0.01515 -0.00039 0.02276 -0.00190 -0.00257 162 5PY -0.00952 -0.00114 0.00501 0.00272 -0.00341 163 5PZ -0.04697 0.00890 0.00774 0.00983 -0.00819 164 6PX 0.00286 -0.00211 -0.01917 -0.00283 0.00766 165 6PY -0.04899 -0.00366 -0.00177 -0.00475 0.00271 166 6PZ 0.03522 0.00245 -0.00475 0.01588 0.00178 167 7D 0 0.12021 -0.02737 -0.05487 0.01446 0.11233 168 7D+1 -0.05498 -0.00343 -0.08800 -0.01817 0.06434 169 7D-1 -0.00877 0.03433 -0.02585 0.04173 0.03223 170 7D+2 0.00401 0.02695 0.04046 0.00179 -0.00803 171 7D-2 -0.00090 0.00548 -0.02659 -0.01629 0.01663 172 8D 0 0.04156 -0.01082 -0.01997 0.00461 0.03881 173 8D+1 -0.01900 -0.00147 -0.03307 -0.00625 0.02359 174 8D-1 -0.00358 0.01411 -0.00952 0.01445 0.01111 175 8D+2 0.00226 0.00947 0.01472 0.00000 -0.00262 176 8D-2 0.00013 0.00152 -0.00931 -0.00615 0.00352 177 9 C 1S 0.00299 -0.00197 0.00005 -0.00558 -0.00058 178 2S -0.00765 0.00386 -0.00008 0.01070 0.00125 179 3S -0.00318 0.01263 -0.00086 0.03393 0.00236 180 4PX 0.00197 -0.00205 -0.00633 -0.00331 0.01700 181 4PY -0.01037 0.00645 -0.00172 0.01877 0.00575 182 4PZ 0.00112 -0.00064 -0.00020 -0.00207 0.00120 183 5PX 0.00142 0.00312 0.00165 0.00249 -0.00171 184 5PY -0.00686 -0.00831 0.00017 -0.00305 0.00131 185 5PZ -0.00061 -0.00732 0.00026 -0.01041 -0.00004 186 10 O 1S -0.00060 0.00044 0.00000 0.00105 0.00006 187 2S 0.00265 0.00002 -0.00001 -0.00173 -0.00034 188 3S -0.00185 -0.00779 0.00009 -0.01045 0.00046 189 4PX -0.00164 0.00219 0.01251 0.00159 -0.02788 190 4PY 0.01071 -0.00428 0.00285 -0.01502 -0.00750 191 4PZ -0.00463 0.00222 0.00081 0.00881 -0.00177 192 5PX -0.00009 0.00100 0.00651 0.00027 -0.01256 193 5PY 0.00273 -0.00181 0.00141 -0.00716 -0.00325 194 5PZ -0.00393 0.00129 0.00052 0.00658 -0.00045 56 57 58 59 60 O O O O O EIGENVALUES -- -0.28210 -0.27848 -0.27508 -0.27454 -0.27079 1 1 Cu 1S 0.00092 0.00086 0.00110 0.00472 -0.00029 2 2S -0.01335 0.03533 0.00191 -0.00218 0.00158 3 3S 0.10025 0.01058 0.05454 0.25168 -0.01579 4 4PX -0.00320 0.01000 -0.02374 0.00883 -0.01138 5 4PY 0.00456 -0.03658 -0.00825 -0.01039 -0.00070 6 4PZ 0.00240 -0.00167 -0.00529 -0.00409 -0.00158 7 5PX 0.02592 -0.03899 0.08620 -0.03302 0.05977 8 5PY -0.02992 0.14099 0.03664 0.07165 0.00295 9 5PZ -0.03742 0.00956 0.00759 -0.03817 0.01181 10 6PX -0.01845 -0.01280 -0.07051 0.02289 0.07786 11 6PY -0.00866 0.07069 -0.00901 -0.01433 0.01072 12 6PZ 0.01263 -0.00218 -0.02939 -0.06852 0.01729 13 7D 0 0.12558 0.04388 0.04902 -0.26017 0.05240 14 7D+1 -0.01537 -0.12448 0.29412 -0.00615 0.08151 15 7D-1 -0.03569 0.40836 0.08598 0.12137 -0.00980 16 7D+2 0.16504 -0.03549 -0.02657 0.00470 0.00841 17 7D-2 0.06568 -0.08037 -0.10107 -0.01784 -0.05956 18 8D 0 0.04155 0.01193 0.01546 -0.08015 0.01627 19 8D+1 -0.00564 -0.03922 0.09160 -0.00256 0.02551 20 8D-1 -0.01142 0.13064 0.02771 0.03927 -0.00289 21 8D+2 0.05266 -0.01213 -0.00942 0.00054 0.00213 22 8D-2 0.02125 -0.02615 -0.02965 -0.00665 -0.01741 23 2 Cu 1S 0.00046 -0.00037 -0.00047 -0.00178 0.00011 24 2S -0.00483 -0.03135 0.00009 0.00465 0.00047 25 3S 0.02843 0.00443 -0.01817 -0.09138 0.00483 26 4PX 0.00252 -0.00368 0.01115 -0.00722 -0.01992 27 4PY 0.00271 0.01563 0.00680 0.01906 -0.00512 28 4PZ 0.00419 0.00592 0.00112 -0.00776 -0.00327 29 5PX -0.01290 0.01118 -0.10208 0.02825 0.08704 30 5PY 0.01960 -0.04526 -0.02695 -0.02373 0.01691 31 5PZ -0.02260 0.00039 -0.01040 0.04978 0.01245 32 6PX 0.00727 0.00590 0.02291 0.00512 -0.03082 33 6PY -0.00346 -0.00414 -0.00182 -0.02319 -0.00317 34 6PZ 0.00053 -0.00829 0.00051 -0.02092 -0.00447 35 7D 0 0.06501 0.00583 0.03626 0.12497 -0.00045 36 7D+1 -0.04413 0.01889 0.03214 0.01518 0.04448 37 7D-1 0.05206 -0.02844 -0.02290 -0.21923 -0.00761 38 7D+2 0.04478 0.09466 -0.01696 0.09145 0.04531 39 7D-2 0.03382 0.04626 0.10804 0.03695 -0.16174 40 8D 0 0.01722 0.00332 0.01047 0.03444 -0.00104 41 8D+1 -0.01174 0.00645 0.01051 0.00637 0.00932 42 8D-1 0.01540 -0.01152 -0.00777 -0.06920 -0.00292 43 8D+2 0.01307 0.03119 -0.00413 0.03111 0.01420 44 8D-2 0.01016 0.01555 0.03239 0.01309 -0.04906 45 3 Cu 1S 0.00009 0.00052 -0.00081 0.00138 -0.00112 46 2S -0.04711 0.00487 0.01291 -0.08300 0.00905 47 3S -0.05229 0.05502 0.00273 -0.06113 -0.06691 48 4PX -0.00072 0.00132 -0.00301 -0.00800 0.00204 49 4PY -0.00131 -0.00410 0.00103 0.00408 0.00542 50 4PZ 0.00569 0.00252 -0.00863 0.00422 0.00038 51 5PX 0.00551 -0.01121 0.00707 0.01740 0.00237 52 5PY 0.01696 0.00111 -0.02111 -0.02019 -0.02318 53 5PZ -0.03127 0.00448 0.02299 -0.02626 -0.01516 54 6PX 0.00775 -0.00961 0.01567 0.00733 0.01571 55 6PY -0.00419 0.00738 -0.00395 0.00145 -0.02293 56 6PZ 0.02258 0.00091 0.01772 -0.00665 -0.00164 57 7D 0 -0.01225 0.01646 0.16667 0.02162 -0.03763 58 7D+1 -0.26993 -0.05778 0.19150 -0.14298 -0.08151 59 7D-1 -0.10903 0.29965 0.13268 -0.25919 -0.18773 60 7D+2 0.09778 0.00128 0.03255 0.24271 -0.07129 61 7D-2 0.11557 -0.06486 -0.17224 -0.17457 -0.06196 62 8D 0 -0.00425 0.00636 0.05308 0.00726 -0.01302 63 8D+1 -0.08871 -0.01885 0.06205 -0.04745 -0.02745 64 8D-1 -0.03810 0.09728 0.04380 -0.08505 -0.06189 65 8D+2 0.03291 -0.00021 0.01221 0.08139 -0.02333 66 8D-2 0.03702 -0.01924 -0.05651 -0.05890 -0.01937 67 4 Cu 1S 0.00053 0.00041 0.00129 0.00111 0.00094 68 2S -0.03037 0.01138 -0.04394 -0.07525 0.00346 69 3S -0.05199 0.05621 -0.02066 -0.04374 0.07239 70 4PX 0.00052 -0.00023 -0.00383 0.00593 0.00195 71 4PY 0.00027 -0.00444 -0.00040 0.00561 -0.00556 72 4PZ 0.00340 0.00090 0.00945 0.00366 0.00029 73 5PX -0.00437 0.00832 0.00947 -0.00205 -0.00589 74 5PY 0.01376 0.00328 0.01426 -0.02476 0.02778 75 5PZ -0.02684 0.00984 -0.03127 -0.01996 0.01358 76 6PX -0.00311 0.00417 0.01678 -0.00520 0.00936 77 6PY 0.00108 0.00716 0.00901 0.00085 0.02948 78 6PZ 0.00110 0.00306 -0.01470 -0.00331 0.00509 79 7D 0 0.12212 0.01422 0.05527 0.16502 -0.03640 80 7D+1 0.21331 -0.10176 0.32719 0.06778 -0.14678 81 7D-1 -0.12788 0.29426 -0.08737 -0.02695 0.16130 82 7D+2 -0.02038 -0.01792 -0.00740 0.03059 0.14770 83 7D-2 0.02890 -0.04030 -0.02119 0.32624 -0.11744 84 8D 0 0.03987 0.00537 0.01916 0.05427 -0.01203 85 8D+1 0.07142 -0.03316 0.10598 0.02323 -0.04934 86 8D-1 -0.04394 0.09478 -0.02939 -0.00765 0.05282 87 8D+2 -0.00751 -0.00506 -0.00299 0.01020 0.04830 88 8D-2 0.01111 -0.01477 -0.00673 0.10936 -0.03792 89 5 Cu 1S 0.00073 0.00228 -0.00099 0.00096 -0.00177 90 2S -0.03347 -0.03507 0.05827 -0.01121 0.03034 91 3S -0.04699 0.03465 0.06795 0.01879 -0.07421 92 4PX -0.00049 -0.00528 0.00516 -0.00052 0.00288 93 4PY 0.00125 -0.00099 -0.00487 0.00390 0.00157 94 4PZ -0.00528 -0.00248 0.00406 -0.00025 0.00122 95 5PX 0.01004 -0.01038 -0.01532 -0.00654 0.01675 96 5PY -0.00654 0.00404 -0.01711 -0.00755 -0.00234 97 5PZ 0.01146 0.00410 -0.02236 -0.01515 0.00763 98 6PX 0.00829 -0.01043 -0.01474 -0.00014 0.01267 99 6PY 0.00572 -0.01279 0.00887 -0.00376 -0.00571 100 6PZ -0.00576 -0.00023 0.01536 0.00943 0.00165 101 7D 0 -0.12285 -0.09025 0.00126 -0.03204 0.11556 102 7D+1 0.02871 -0.02707 -0.15195 0.00098 0.10234 103 7D-1 0.08508 -0.01139 -0.20332 0.12532 0.28110 104 7D+2 0.02353 -0.29138 0.03701 -0.03669 0.13310 105 7D-2 -0.05734 -0.03935 -0.20900 -0.02789 -0.07356 106 8D 0 -0.04121 -0.03108 0.00007 -0.00966 0.03943 107 8D+1 0.00930 -0.00881 -0.05166 0.00097 0.03529 108 8D-1 0.02889 -0.00497 -0.06694 0.04251 0.09486 109 8D+2 0.00719 -0.09720 0.01223 -0.01080 0.04605 110 8D-2 -0.02030 -0.01339 -0.06856 -0.00967 -0.02334 111 6 Cu 1S 0.00082 -0.00366 -0.00020 -0.00006 -0.00008 112 2S 0.01160 0.06400 -0.01708 -0.09671 0.00727 113 3S -0.04101 -0.08200 -0.03159 -0.12685 0.00569 114 4PX 0.00453 0.00216 -0.00281 -0.00107 -0.00213 115 4PY -0.00843 0.00257 -0.00135 -0.00447 -0.00040 116 4PZ -0.01056 -0.01121 0.00033 0.00731 -0.00143 117 5PX -0.00904 -0.00661 0.00461 0.01455 0.01872 118 5PY 0.02642 0.01380 0.00421 0.01150 0.00558 119 5PZ 0.01133 0.01743 -0.00995 -0.06003 0.01057 120 6PX 0.02548 -0.00392 -0.00557 -0.00506 0.00938 121 6PY -0.03043 0.01865 0.00677 0.03466 0.00231 122 6PZ -0.06541 0.00691 -0.00331 -0.01109 0.00476 123 7D 0 0.44444 0.14703 0.10840 0.05059 0.15605 124 7D+1 -0.16551 -0.06676 0.24518 -0.04029 0.41927 125 7D-1 0.23322 0.11068 -0.01379 -0.17805 0.10598 126 7D+2 -0.02869 0.09029 -0.02831 -0.24777 -0.06371 127 7D-2 -0.03374 0.03206 -0.21641 -0.03350 -0.08636 128 8D 0 0.14724 0.04821 0.03594 0.01670 0.05152 129 8D+1 -0.05449 -0.02173 0.08101 -0.01367 0.13837 130 8D-1 0.07838 0.03500 -0.00425 -0.05831 0.03508 131 8D+2 -0.01050 0.02898 -0.01044 -0.08442 -0.02104 132 8D-2 -0.01172 0.01040 -0.07062 -0.01231 -0.02794 133 7 Cu 1S 0.00061 0.00192 0.00159 0.00058 0.00174 134 2S -0.01369 -0.02240 -0.06271 0.00572 -0.02960 135 3S -0.02855 0.03586 -0.05261 0.03711 0.07109 136 4PX -0.00013 0.00478 0.00418 -0.00162 0.00369 137 4PY 0.00205 -0.00014 0.00774 0.00058 -0.00085 138 4PZ -0.00205 -0.00010 -0.00259 -0.00007 -0.00029 139 5PX -0.00426 0.00771 -0.01887 0.02139 0.01342 140 5PY -0.00639 0.00421 0.00596 -0.01045 0.01047 141 5PZ 0.00258 0.00494 0.00941 -0.01642 -0.00026 142 6PX -0.00524 0.01356 -0.00420 0.00157 0.00959 143 6PY -0.00274 -0.01254 -0.01487 -0.00451 0.00923 144 6PZ -0.01095 0.00461 -0.01303 0.01052 -0.00058 145 7D 0 -0.03436 -0.08032 -0.13901 -0.02523 -0.04242 146 7D+1 -0.05030 -0.00699 -0.14267 0.05408 0.19721 147 7D-1 0.07123 -0.03421 0.09059 0.04976 -0.26849 148 7D+2 0.00588 -0.25826 0.11985 -0.11523 -0.12501 149 7D-2 -0.00040 -0.10873 -0.20421 0.06596 -0.06757 150 8D 0 -0.01090 -0.02755 -0.04645 -0.00797 -0.01443 151 8D+1 -0.01739 -0.00170 -0.04856 0.01758 0.06690 152 8D-1 0.02499 -0.01226 0.02962 0.01720 -0.09034 153 8D+2 0.00112 -0.08615 0.03993 -0.03747 -0.04450 154 8D-2 0.00003 -0.03597 -0.06642 0.02231 -0.02260 155 8 Cu 1S 0.00125 -0.00433 -0.00006 -0.00037 0.00007 156 2S 0.03755 0.11427 -0.00143 -0.01865 0.00084 157 3S 0.07344 -0.06511 -0.00750 -0.02050 0.00671 158 4PX -0.00271 -0.00535 -0.00394 0.00048 -0.00404 159 4PY -0.00291 0.01382 -0.00003 0.00383 -0.00146 160 4PZ 0.01099 0.00859 -0.00154 -0.00479 -0.00053 161 5PX 0.01090 -0.00210 0.00602 -0.00047 0.01149 162 5PY -0.00879 0.00959 0.00476 0.01711 0.00062 163 5PZ -0.02519 0.00217 -0.00001 -0.00810 0.00278 164 6PX -0.00259 -0.00665 0.00699 -0.00709 -0.02787 165 6PY 0.01126 0.00581 0.00298 0.00945 -0.00848 166 6PZ 0.00528 0.00636 0.00497 0.01972 -0.00610 167 7D 0 0.34740 0.00679 -0.08045 -0.22289 -0.07382 168 7D+1 -0.15371 -0.07459 -0.08263 0.02941 -0.21819 169 7D-1 0.01936 0.06158 -0.03596 0.06448 -0.08949 170 7D+2 0.11889 -0.18684 0.04563 -0.15352 0.11425 171 7D-2 0.04337 -0.12353 -0.12850 -0.06487 -0.06197 172 8D 0 0.11722 0.00268 -0.02727 -0.07428 -0.02600 173 8D+1 -0.05299 -0.02487 -0.02862 0.00918 -0.07606 174 8D-1 0.00627 0.01910 -0.01236 0.02196 -0.03090 175 8D+2 0.03870 -0.06293 0.01544 -0.05134 0.03905 176 8D-2 0.01427 -0.04130 -0.04317 -0.02208 -0.02078 177 9 C 1S -0.00395 -0.00815 -0.00413 -0.01792 0.00139 178 2S 0.00776 0.01911 0.00800 0.03372 -0.00261 179 3S 0.02103 0.02261 0.02379 0.11061 -0.00877 180 4PX -0.00497 -0.00611 -0.01942 -0.00695 0.02709 181 4PY 0.01409 0.02336 0.00680 0.04207 0.00140 182 4PZ -0.00649 0.00773 0.00364 0.03184 0.00271 183 5PX -0.00214 -0.00218 0.00893 -0.00542 0.00493 184 5PY 0.00927 0.00854 0.00388 0.00963 -0.00002 185 5PZ 0.00476 -0.00346 0.00317 0.00854 0.00015 186 10 O 1S 0.00050 0.00168 0.00085 0.00363 -0.00027 187 2S -0.00225 -0.00594 -0.00232 -0.00980 0.00073 188 3S 0.00159 -0.00172 -0.00422 -0.01887 0.00143 189 4PX 0.00578 0.00472 0.02522 0.00192 -0.03929 190 4PY -0.01140 -0.01783 -0.00210 -0.02651 -0.00491 191 4PZ 0.01196 -0.00354 -0.00287 -0.03560 -0.00485 192 5PX 0.00236 0.00158 0.00938 0.00120 -0.02111 193 5PY -0.00462 -0.00628 -0.00084 -0.01024 -0.00293 194 5PZ 0.00597 0.00184 -0.00193 -0.01841 -0.00262 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26935 -0.26758 -0.26505 -0.26471 -0.26341 1 1 Cu 1S 0.00012 0.00014 -0.00040 -0.00054 -0.00197 2 2S -0.03026 -0.00164 0.02227 0.05041 -0.05224 3 3S -0.02719 0.01397 -0.05570 -0.07865 -0.09446 4 4PX -0.00398 -0.01890 -0.00956 0.00477 -0.00211 5 4PY 0.01642 -0.00427 0.00213 0.00726 -0.00294 6 4PZ 0.00265 -0.00272 -0.00607 -0.00985 0.01564 7 5PX 0.01838 0.09625 0.07747 -0.03185 0.01186 8 5PY -0.06453 0.02425 -0.02204 -0.06146 -0.00131 9 5PZ -0.02270 0.01425 0.03406 0.04301 -0.06750 10 6PX 0.03636 0.16366 0.08015 0.01810 -0.00657 11 6PY -0.11213 0.02877 -0.04985 -0.11060 0.09635 12 6PZ -0.02883 0.02437 0.02162 0.02161 -0.03238 13 7D 0 -0.06362 0.04726 0.05046 0.09781 -0.12632 14 7D+1 0.01723 0.18477 0.05278 -0.05231 0.05924 15 7D-1 -0.04510 0.05450 0.04568 0.00031 -0.06832 16 7D+2 -0.07957 -0.05948 -0.04648 0.05216 0.01261 17 7D-2 -0.01545 0.04424 0.10210 -0.05168 0.01003 18 8D 0 -0.02049 0.01441 0.01581 0.02999 -0.04110 19 8D+1 0.00524 0.05660 0.01780 -0.01712 0.01888 20 8D-1 -0.01403 0.01728 0.01417 -0.00076 -0.02113 21 8D+2 -0.02624 -0.01909 -0.01544 0.01524 0.00442 22 8D-2 -0.00546 0.01543 0.03164 -0.01613 0.00329 23 2 Cu 1S -0.00015 -0.00003 -0.00017 -0.00034 0.00134 24 2S 0.04064 -0.00075 0.01023 0.01540 -0.00751 25 3S 0.00661 0.00060 -0.05252 -0.09569 0.06457 26 4PX 0.00321 -0.01034 0.01415 -0.00757 -0.00163 27 4PY 0.00440 -0.00168 0.00542 0.00219 0.00238 28 4PZ -0.02094 -0.00130 -0.00466 -0.01201 -0.00305 29 5PX -0.01557 0.06843 -0.06158 0.04045 0.00595 30 5PY -0.01643 0.01394 -0.03571 -0.03141 -0.00826 31 5PZ 0.10271 0.01085 0.01587 0.04374 0.01884 32 6PX 0.00143 0.01637 0.00166 -0.01046 -0.01015 33 6PY -0.01316 0.00400 -0.00371 -0.00896 0.00079 34 6PZ 0.00300 0.00068 -0.00058 -0.00129 0.00614 35 7D 0 -0.04044 0.02457 -0.00419 -0.03948 0.03401 36 7D+1 0.03972 0.05368 0.03897 0.01957 -0.02511 37 7D-1 -0.16971 0.00153 -0.02142 -0.06186 0.00550 38 7D+2 -0.01045 0.00626 -0.01576 0.05784 -0.01812 39 7D-2 0.02831 -0.04470 0.09984 -0.03218 -0.02775 40 8D 0 -0.01043 0.00680 -0.00094 -0.01119 0.00930 41 8D+1 0.01159 0.01513 0.01193 0.00533 -0.00739 42 8D-1 -0.05242 0.00005 -0.00660 -0.01933 0.00108 43 8D+2 -0.00430 0.00270 -0.00560 0.01709 -0.00605 44 8D-2 0.00829 -0.01435 0.03134 -0.01072 -0.00853 45 3 Cu 1S 0.00009 -0.00032 0.00059 0.00004 -0.00026 46 2S -0.02807 0.01292 -0.00799 0.01350 0.01067 47 3S 0.04193 0.02099 -0.04732 0.01931 -0.01636 48 4PX 0.00160 0.00750 -0.00544 -0.00389 -0.00083 49 4PY -0.00064 -0.00450 -0.00091 -0.00396 -0.00620 50 4PZ 0.00390 0.00096 0.00478 -0.00367 -0.00357 51 5PX -0.02245 -0.04138 0.02895 0.00532 0.01890 52 5PY 0.00863 0.02808 -0.01134 0.00645 0.01004 53 5PZ -0.01713 -0.01944 -0.03189 0.01624 0.01770 54 6PX -0.02376 -0.04685 -0.01182 -0.00929 0.02660 55 6PY 0.01012 0.02778 -0.00228 0.00543 -0.01226 56 6PZ -0.00721 -0.03528 -0.03027 0.01139 0.00839 57 7D 0 0.20557 0.11313 0.13258 0.04403 -0.14048 58 7D+1 -0.01041 -0.02453 -0.25033 0.07450 -0.06617 59 7D-1 0.13674 0.00004 -0.12811 -0.03736 -0.10451 60 7D+2 0.02477 -0.26447 0.34224 -0.10267 0.11518 61 7D-2 -0.03296 0.16103 -0.20519 0.03798 -0.07378 62 8D 0 0.06751 0.03690 0.04203 0.01341 -0.04470 63 8D+1 -0.00227 -0.00957 -0.07997 0.02485 -0.02230 64 8D-1 0.04702 -0.00060 -0.04083 -0.01149 -0.03277 65 8D+2 0.00898 -0.08607 0.10943 -0.03333 0.03518 66 8D-2 -0.01106 0.05232 -0.06659 0.01267 -0.02237 67 4 Cu 1S 0.00012 0.00023 -0.00027 0.00062 -0.00037 68 2S -0.02774 -0.01430 0.01326 -0.00132 0.00972 69 3S 0.03585 -0.02586 0.04038 -0.02671 -0.01945 70 4PX -0.00223 0.00513 0.00476 0.00602 0.00404 71 4PY -0.00033 0.00714 -0.00220 0.00026 -0.00553 72 4PZ 0.00287 0.00108 -0.00476 0.00501 -0.00162 73 5PX 0.02005 -0.03336 -0.01154 -0.01573 -0.02420 74 5PY 0.01049 -0.04316 0.00844 -0.01621 0.00356 75 5PZ -0.00797 0.00694 0.03250 -0.02740 0.00342 76 6PX 0.01479 -0.04442 -0.01789 0.01071 -0.01804 77 6PY 0.01041 -0.04225 0.00162 0.00769 -0.01444 78 6PZ 0.00301 0.01741 0.02813 -0.01049 -0.00508 79 7D 0 0.15322 -0.09760 -0.15427 0.22637 -0.01617 80 7D+1 -0.13924 0.09775 -0.14654 0.12701 0.19709 81 7D-1 0.12634 0.09655 -0.08965 0.03549 -0.00332 82 7D+2 0.03093 0.07799 -0.03036 0.02375 -0.00068 83 7D-2 0.02513 0.29505 -0.16972 0.27689 0.17518 84 8D 0 0.04953 -0.03245 -0.04995 0.07123 -0.00463 85 8D+1 -0.04705 0.03069 -0.04748 0.04029 0.06319 86 8D-1 0.04327 0.03149 -0.02856 0.01160 -0.00073 87 8D+2 0.01130 0.02594 -0.00921 0.00740 -0.00095 88 8D-2 0.00849 0.09621 -0.05525 0.08904 0.05404 89 5 Cu 1S -0.00078 -0.00164 -0.00023 -0.00085 -0.00020 90 2S 0.00722 0.02241 0.01443 0.05556 -0.01963 91 3S -0.05701 -0.12323 0.00503 0.02231 -0.00741 92 4PX 0.00071 0.00364 0.00265 0.00460 -0.00243 93 4PY 0.00148 0.00057 0.00026 -0.00093 0.00064 94 4PZ -0.00019 -0.00120 0.00111 0.00536 -0.00204 95 5PX 0.02023 0.02270 0.00284 -0.00911 0.00259 96 5PY 0.01451 -0.00617 -0.01783 0.01315 -0.00112 97 5PZ 0.00061 0.01386 -0.02210 -0.01719 0.02138 98 6PX 0.01898 0.02365 -0.00345 0.00378 -0.01653 99 6PY 0.02159 -0.02566 0.00074 0.01325 -0.00894 100 6PZ -0.00015 -0.01983 -0.02455 -0.02092 0.02567 101 7D 0 -0.27825 -0.14481 -0.02924 -0.11535 -0.03143 102 7D+1 0.15089 0.24774 -0.26503 -0.29651 0.28895 103 7D-1 -0.16602 0.09049 0.04102 -0.10396 -0.18355 104 7D+2 0.06966 -0.24823 0.01873 0.12653 -0.19051 105 7D-2 0.30995 -0.28649 -0.16635 0.25672 0.14725 106 8D 0 -0.09255 -0.04769 -0.00825 -0.03816 -0.00974 107 8D+1 0.05086 0.08259 -0.08733 -0.09723 0.09489 108 8D-1 -0.05573 0.02922 0.01400 -0.03410 -0.05932 109 8D+2 0.02189 -0.08221 0.00544 0.04157 -0.06232 110 8D-2 0.10194 -0.09527 -0.05571 0.08449 0.04955 111 6 Cu 1S 0.00087 0.00001 0.00044 0.00076 -0.00141 112 2S -0.03702 -0.00132 0.01005 0.01467 0.03856 113 3S -0.06015 -0.00295 0.06330 0.09648 0.05566 114 4PX 0.00202 -0.00388 0.00438 -0.00351 -0.00226 115 4PY -0.00765 -0.00050 0.00371 0.00291 0.01063 116 4PZ -0.00290 -0.00031 0.00096 -0.00047 0.00011 117 5PX -0.01383 -0.00540 -0.01839 0.01896 0.00935 118 5PY 0.03906 -0.00036 -0.03294 -0.03830 -0.04443 119 5PZ 0.02813 -0.00312 0.00009 0.00851 0.00176 120 6PX -0.01542 -0.01603 -0.00469 0.00104 0.00964 121 6PY 0.04384 0.00086 -0.00856 -0.00612 -0.03707 122 6PZ 0.02470 -0.00137 0.00488 0.01476 -0.00819 123 7D 0 -0.06854 -0.04783 -0.06428 0.05745 -0.08316 124 7D+1 -0.09089 -0.11196 -0.10801 0.15541 0.15093 125 7D-1 0.15984 -0.04218 0.00346 0.10262 0.00909 126 7D+2 -0.22375 0.01297 0.28258 0.32911 0.35864 127 7D-2 -0.11547 0.00021 0.07458 0.11817 0.13263 128 8D 0 -0.02229 -0.01603 -0.02126 0.01872 -0.02570 129 8D+1 -0.02998 -0.03843 -0.03649 0.05103 0.04879 130 8D-1 0.05257 -0.01407 0.00069 0.03343 0.00259 131 8D+2 -0.07321 0.00443 0.09151 0.10622 0.11674 132 8D-2 -0.03789 0.00051 0.02469 0.03767 0.04333 133 7 Cu 1S -0.00082 0.00187 -0.00042 -0.00040 -0.00002 134 2S 0.00878 -0.02632 0.03636 0.03680 -0.02041 135 3S -0.04907 0.11814 0.02371 0.04224 0.00806 136 4PX -0.00140 0.00335 -0.00291 -0.00481 0.00195 137 4PY 0.00122 0.00119 -0.00137 -0.00206 0.00150 138 4PZ -0.00030 0.00243 0.00307 0.00179 -0.00102 139 5PX -0.02092 0.02228 0.00164 0.01802 -0.00241 140 5PY 0.00740 0.01111 0.02221 -0.00197 -0.00284 141 5PZ -0.00717 -0.00457 0.00044 -0.02506 0.01580 142 6PX -0.02379 0.00628 -0.00716 0.00603 0.01165 143 6PY 0.01707 0.02680 0.01528 0.02007 0.00196 144 6PZ -0.00361 0.02702 0.00204 -0.02218 0.02979 145 7D 0 -0.24199 0.28618 0.01157 0.17714 -0.15336 146 7D+1 0.15476 0.19466 0.22556 0.35529 -0.15703 147 7D-1 -0.22064 -0.05286 -0.16875 0.13485 -0.26322 148 7D+2 0.22488 0.25183 0.19830 -0.06086 -0.08832 149 7D-2 -0.11779 -0.05414 -0.16686 0.00045 -0.12026 150 8D 0 -0.08093 0.09491 0.00304 0.05896 -0.04973 151 8D+1 0.05061 0.06502 0.07467 0.11594 -0.05193 152 8D-1 -0.07385 -0.01669 -0.05571 0.04476 -0.08585 153 8D+2 0.07336 0.08382 0.06575 -0.02105 -0.02865 154 8D-2 -0.03891 -0.01854 -0.05518 0.00047 -0.04022 155 8 Cu 1S 0.00094 0.00020 0.00061 0.00053 0.00014 156 2S -0.02147 -0.00440 0.00932 0.02350 -0.02789 157 3S 0.08608 -0.00433 0.05307 0.07882 -0.01524 158 4PX 0.00074 -0.00138 0.00025 -0.00106 0.00109 159 4PY -0.00466 -0.00083 0.00129 0.00301 -0.00283 160 4PZ 0.00131 -0.00061 0.00021 0.00005 -0.00107 161 5PX 0.00383 -0.00940 -0.00622 0.01132 -0.00060 162 5PY -0.01088 0.00103 -0.01705 -0.02005 -0.00675 163 5PZ -0.00459 -0.00040 -0.00597 -0.00603 0.00898 164 6PX 0.00420 -0.02410 -0.00399 -0.00336 0.00095 165 6PY -0.02907 -0.00610 -0.00149 -0.00109 -0.00240 166 6PZ 0.01436 -0.00101 0.00103 0.00333 -0.01110 167 7D 0 0.10979 0.01281 0.03779 -0.07087 -0.01065 168 7D+1 0.00342 0.04879 0.15414 -0.05469 -0.01478 169 7D-1 -0.13314 -0.00754 0.02860 -0.03395 0.25227 170 7D+2 0.04267 0.05991 0.02964 -0.01404 0.18987 171 7D-2 0.05387 -0.13756 -0.09407 0.03878 0.04357 172 8D 0 0.03691 0.00490 0.01282 -0.02452 -0.00430 173 8D+1 0.00171 0.01770 0.05293 -0.01904 -0.00466 174 8D-1 -0.04666 -0.00200 0.01090 -0.01064 0.08504 175 8D+2 0.01395 0.01933 0.00903 -0.00424 0.06448 176 8D-2 0.01837 -0.04508 -0.03069 0.01201 0.01471 177 9 C 1S -0.00366 -0.00020 -0.00187 -0.00202 -0.00021 178 2S 0.00629 0.00027 0.00399 0.00440 0.00174 179 3S 0.02906 0.00179 0.00982 0.01072 -0.00797 180 4PX -0.00481 0.00775 -0.01989 0.00899 0.00267 181 4PY -0.00273 0.00219 -0.00175 0.00241 0.00099 182 4PZ 0.02952 0.00096 0.00638 0.01538 0.00178 183 5PX -0.00119 -0.00329 0.00145 0.00268 0.00007 184 5PY 0.00627 -0.00004 -0.00298 -0.00682 0.00680 185 5PZ 0.00038 0.00006 -0.00353 -0.00652 -0.00254 186 10 O 1S 0.00088 0.00004 0.00054 0.00069 -0.00023 187 2S -0.00247 -0.00014 -0.00100 -0.00093 -0.00042 188 3S -0.00454 -0.00006 -0.00501 -0.00803 0.00579 189 4PX 0.00586 -0.01339 0.02619 -0.01271 -0.00363 190 4PY 0.00848 -0.00318 0.00511 -0.00052 0.00066 191 4PZ -0.04045 -0.00172 -0.00837 -0.02068 -0.00280 192 5PX 0.00277 -0.00718 0.01272 -0.00664 -0.00228 193 5PY 0.00454 -0.00169 0.00285 0.00006 0.00040 194 5PZ -0.01974 -0.00106 -0.00343 -0.00918 0.00034 66 67 68 69 70 O O O O O EIGENVALUES -- -0.26108 -0.25980 -0.25884 -0.25651 -0.25634 1 1 Cu 1S 0.00030 0.00142 0.00049 -0.00197 0.00053 2 2S 0.00019 -0.02890 -0.01166 0.03492 -0.00506 3 3S 0.01987 0.09844 0.03538 -0.12434 0.04234 4 4PX -0.00713 0.00083 -0.00281 -0.00163 0.00276 5 4PY -0.00207 0.00032 -0.00079 0.00712 -0.00133 6 4PZ -0.00173 0.00181 0.00031 -0.00088 -0.00026 7 5PX 0.04483 0.00711 0.00530 -0.00078 -0.01296 8 5PY 0.00571 -0.03848 -0.01026 -0.00846 0.00089 9 5PZ 0.00801 -0.01531 -0.00481 0.00219 0.00077 10 6PX -0.03603 0.02822 -0.00632 -0.07138 0.02372 11 6PY -0.00572 -0.05819 -0.02337 0.23680 -0.05039 12 6PZ -0.00862 -0.01691 -0.01030 0.05063 -0.01196 13 7D 0 0.03546 0.00201 -0.03557 0.06219 0.08204 14 7D+1 0.11820 0.00668 -0.10344 0.06144 0.19540 15 7D-1 0.08109 0.09372 -0.01628 -0.05890 0.04245 16 7D+2 -0.10444 0.01398 0.05275 0.00974 0.01090 17 7D-2 0.18534 -0.00029 -0.07652 -0.01443 -0.10953 18 8D 0 0.01103 0.00054 -0.01084 0.01816 0.02528 19 8D+1 0.03613 0.00166 -0.03160 0.01949 0.05904 20 8D-1 0.02551 0.02910 -0.00493 -0.01769 0.01294 21 8D+2 -0.03296 0.00292 0.01567 0.00468 0.00296 22 8D-2 0.05875 -0.00068 -0.02393 -0.00385 -0.03331 23 2 Cu 1S -0.00025 -0.00062 -0.00022 0.00134 -0.00030 24 2S -0.00142 -0.00596 -0.00375 0.02788 -0.00701 25 3S -0.01153 -0.05838 -0.01830 0.11311 -0.02338 26 4PX 0.00783 -0.00285 -0.00182 0.00076 -0.01102 27 4PY 0.00271 0.00928 0.00329 -0.01151 0.00072 28 4PZ 0.00264 0.00205 0.00122 -0.01560 0.00179 29 5PX -0.04016 0.01009 -0.00482 0.00795 0.05471 30 5PY -0.01206 -0.02035 -0.00746 0.01559 0.00749 31 5PZ -0.01135 0.00581 -0.00122 0.03917 0.00082 32 6PX -0.00251 -0.00213 0.01476 -0.00383 0.00472 33 6PY -0.00223 -0.01438 -0.00274 0.02238 -0.00466 34 6PZ -0.00063 -0.01478 -0.00135 0.01214 -0.00173 35 7D 0 0.00419 0.04698 0.02897 0.03592 -0.06482 36 7D+1 0.00794 0.00523 0.05238 -0.10542 -0.14591 37 7D-1 -0.02733 -0.14546 -0.03214 -0.01332 -0.02514 38 7D+2 0.04551 0.04520 0.00608 -0.20649 0.07085 39 7D-2 -0.07461 0.03846 0.03154 -0.08071 0.04154 40 8D 0 0.00145 0.01317 0.00939 0.00624 -0.01750 41 8D+1 0.00295 0.00144 0.01813 -0.02974 -0.04155 42 8D-1 -0.00813 -0.04571 -0.01017 -0.00270 -0.00774 43 8D+2 0.01354 0.01420 0.00206 -0.06289 0.02159 44 8D-2 -0.02140 0.01253 0.00824 -0.02558 0.01077 45 3 Cu 1S 0.00158 -0.00009 -0.00093 -0.00122 -0.00073 46 2S -0.00576 -0.01629 0.01186 0.01259 -0.01939 47 3S 0.07765 -0.00426 -0.04366 -0.07023 -0.03490 48 4PX 0.00188 -0.00052 -0.00292 0.00578 -0.00222 49 4PY -0.00646 0.00940 -0.00467 0.00010 0.00483 50 4PZ 0.00427 0.00264 -0.00193 0.00459 -0.00024 51 5PX -0.01715 0.00989 0.01777 -0.02167 0.00662 52 5PY 0.02014 -0.05571 0.02507 0.01065 -0.00890 53 5PZ -0.01151 -0.00474 0.00227 -0.04213 0.00375 54 6PX -0.00358 0.00243 0.01839 0.02108 -0.00182 55 6PY 0.02024 -0.02750 0.02736 -0.03432 0.01449 56 6PZ 0.00562 0.00328 0.01470 0.01157 -0.00805 57 7D 0 0.00262 0.08698 -0.13859 0.21691 -0.02066 58 7D+1 -0.12673 0.00962 -0.03229 0.11278 0.02030 59 7D-1 -0.16445 0.35910 -0.24865 -0.03235 -0.05473 60 7D+2 0.00688 0.13913 0.06246 0.09133 0.18514 61 7D-2 0.10050 -0.16348 0.09451 -0.08232 -0.24087 62 8D 0 0.00093 0.02729 -0.04433 0.06941 -0.00560 63 8D+1 -0.04183 0.00257 -0.00879 0.03701 0.00601 64 8D-1 -0.05360 0.11427 -0.07869 -0.00978 -0.01529 65 8D+2 0.00207 0.04406 0.02027 0.02890 0.06036 66 8D-2 0.03387 -0.05457 0.03048 -0.02734 -0.07617 67 4 Cu 1S -0.00150 -0.00043 0.00083 -0.00071 0.00094 68 2S 0.00140 -0.00842 -0.01929 0.01255 0.01197 69 3S -0.07264 -0.01883 0.04097 -0.05684 0.05201 70 4PX 0.00068 -0.00061 -0.00581 -0.00582 0.00189 71 4PY 0.00876 0.00453 0.00736 -0.00295 -0.00399 72 4PZ -0.00352 0.00227 0.00165 0.00165 -0.00103 73 5PX -0.01106 -0.00139 0.02612 0.02509 -0.00588 74 5PY -0.03511 -0.03170 -0.04518 0.01164 0.00148 75 5PZ 0.00738 -0.00915 0.00332 -0.02552 0.00915 76 6PX 0.00516 -0.01494 0.02743 -0.00068 0.00277 77 6PY -0.02350 -0.00638 -0.02816 -0.04423 0.00395 78 6PZ -0.00390 0.00829 -0.00325 0.00537 0.00252 79 7D 0 -0.09678 0.02010 0.06924 0.03089 -0.04701 80 7D+1 -0.17053 0.01949 -0.23244 -0.16715 0.03010 81 7D-1 0.17269 0.16707 0.39551 -0.02050 -0.04304 82 7D+2 0.00390 0.07552 0.00915 0.05300 -0.01078 83 7D-2 0.04738 0.12034 0.02719 0.03749 -0.34861 84 8D 0 -0.03174 0.00589 0.02284 0.00865 -0.01593 85 8D+1 -0.05599 0.00586 -0.07304 -0.05428 0.01041 86 8D-1 0.05628 0.05379 0.12646 -0.00706 -0.01590 87 8D+2 0.00073 0.02318 0.00102 0.01574 -0.00478 88 8D-2 0.01666 0.03957 0.00927 0.01291 -0.11118 89 5 Cu 1S 0.00058 0.00011 -0.00060 0.00086 -0.00005 90 2S -0.03551 -0.03728 0.01255 0.05145 0.00603 91 3S -0.03216 -0.09040 0.02019 0.11508 -0.02599 92 4PX -0.00586 -0.00710 0.00222 0.00546 -0.00165 93 4PY 0.00056 -0.00147 0.00254 -0.00684 -0.00008 94 4PZ -0.00487 -0.00537 0.00408 0.00314 -0.00043 95 5PX 0.02077 0.03587 -0.00834 -0.01968 0.01214 96 5PY -0.01811 0.00773 -0.01744 0.04094 0.00895 97 5PZ 0.01096 0.02592 -0.01911 -0.02419 0.00905 98 6PX 0.01810 0.01426 -0.01316 -0.02261 0.00989 99 6PY 0.00398 0.01232 -0.00248 -0.01049 0.00476 100 6PZ 0.01352 0.01565 -0.00396 0.00641 -0.00526 101 7D 0 -0.06983 0.25532 -0.09425 -0.14502 -0.20473 102 7D+1 0.14476 0.23077 -0.18761 0.07660 0.27620 103 7D-1 -0.26483 0.19690 -0.12099 0.45031 -0.15548 104 7D+2 0.35804 0.39714 -0.11784 -0.21809 -0.15012 105 7D-2 0.04241 0.01128 -0.05940 0.16775 0.17369 106 8D 0 -0.02380 0.08364 -0.03000 -0.04767 -0.06695 107 8D+1 0.04914 0.07634 -0.06179 0.02596 0.09000 108 8D-1 -0.08603 0.06404 -0.03917 0.14858 -0.05080 109 8D+2 0.11948 0.12939 -0.03856 -0.07078 -0.04837 110 8D-2 0.01442 0.00353 -0.01927 0.05675 0.05700 111 6 Cu 1S 0.00000 0.00090 0.00023 0.00074 -0.00019 112 2S -0.00275 -0.01755 -0.00441 0.01766 -0.00440 113 3S -0.00347 0.10354 0.03699 -0.00095 0.00867 114 4PX 0.00125 -0.00016 -0.00008 0.00161 0.00451 115 4PY -0.00026 0.00236 0.00104 0.00218 0.00079 116 4PZ 0.00010 -0.00249 -0.00104 0.00098 0.00134 117 5PX -0.01777 0.00737 -0.01007 -0.00994 -0.01964 118 5PY -0.00372 -0.03547 -0.01404 -0.00547 -0.00527 119 5PZ -0.00474 0.02304 0.00707 0.00003 -0.00563 120 6PX -0.02203 0.01220 -0.02079 0.02562 -0.01029 121 6PY -0.00253 -0.00831 -0.00562 -0.07887 0.01668 122 6PZ -0.00619 -0.00758 -0.00385 -0.06554 0.01591 123 7D 0 -0.01899 0.05364 0.05854 -0.00932 0.05870 124 7D+1 -0.06358 -0.01503 0.13297 0.06931 0.09555 125 7D-1 -0.06007 0.02854 0.00549 0.00352 -0.00335 126 7D+2 0.06272 0.18798 0.11556 0.11388 -0.01668 127 7D-2 -0.14865 0.13919 -0.13996 -0.01253 -0.06973 128 8D 0 -0.00660 0.01797 0.01877 -0.00318 0.01923 129 8D+1 -0.02148 -0.00408 0.04173 0.02234 0.03107 130 8D-1 -0.02010 0.00688 0.00108 0.00188 -0.00070 131 8D+2 0.02082 0.06086 0.03722 0.03732 -0.00646 132 8D-2 -0.04901 0.04523 -0.04419 -0.00369 -0.02021 133 7 Cu 1S -0.00046 -0.00004 0.00057 0.00106 -0.00048 134 2S 0.02968 -0.02703 -0.03842 0.03293 -0.02573 135 3S 0.01885 -0.05531 -0.07436 0.08933 -0.02227 136 4PX -0.00571 0.00516 0.00924 -0.00236 0.00036 137 4PY -0.00176 0.00208 0.00032 -0.00623 0.00273 138 4PZ 0.00266 -0.00069 -0.00432 0.00043 -0.00035 139 5PX 0.01234 -0.02340 -0.04285 0.01092 0.00868 140 5PY 0.01702 -0.01352 0.00324 0.03192 -0.02145 141 5PZ -0.00460 0.00097 0.02093 -0.01530 0.00063 142 6PX 0.02013 -0.01209 -0.02655 0.02345 -0.00323 143 6PY 0.00024 0.00835 0.00234 -0.00739 0.00020 144 6PZ -0.00518 0.00931 0.00621 0.01334 0.00250 145 7D 0 0.10373 0.07919 0.02978 -0.08375 0.36754 146 7D+1 -0.13669 -0.08198 -0.29356 -0.16963 0.13622 147 7D-1 0.25884 0.07455 0.07617 0.38038 0.14048 148 7D+2 -0.26155 0.23496 0.41203 -0.00717 -0.00788 149 7D-2 -0.21770 0.18540 0.18453 -0.22035 0.28908 150 8D 0 0.03560 0.02590 0.00876 -0.02778 0.12024 151 8D+1 -0.04453 -0.02757 -0.09618 -0.05612 0.04431 152 8D-1 0.08423 0.02426 0.02422 0.12468 0.04558 153 8D+2 -0.08815 0.07684 0.13452 -0.00129 -0.00383 154 8D-2 -0.07222 0.06067 0.06082 -0.07328 0.09504 155 8 Cu 1S -0.00011 0.00004 -0.00006 0.00029 -0.00020 156 2S 0.00115 -0.01200 -0.00491 0.01192 -0.00271 157 3S 0.00311 0.00047 -0.00674 -0.03544 -0.00236 158 4PX 0.00022 0.00024 0.00012 -0.00034 -0.00035 159 4PY 0.00023 -0.00023 -0.00027 0.00140 -0.00028 160 4PZ 0.00013 -0.00117 -0.00033 0.00039 -0.00041 161 5PX -0.00106 -0.00074 0.00023 0.00417 0.00631 162 5PY -0.00316 -0.00735 -0.00013 -0.00871 0.00550 163 5PZ -0.00229 0.01086 0.00505 -0.00168 0.00425 164 6PX 0.00229 -0.00823 0.00351 0.00882 -0.00401 165 6PY -0.00019 0.01235 0.00513 0.01942 -0.00349 166 6PZ 0.00078 0.01526 0.00741 -0.05763 0.01452 167 7D 0 0.02545 0.04925 -0.02054 -0.01737 -0.00584 168 7D+1 0.07213 -0.01304 -0.09705 0.07585 -0.02476 169 7D-1 -0.05305 0.11710 0.02172 -0.02950 0.01167 170 7D+2 0.12020 0.03375 0.00744 0.11159 -0.04109 171 7D-2 -0.26159 -0.01128 0.03230 0.07655 0.00219 172 8D 0 0.00856 0.01582 -0.00752 -0.00572 -0.00238 173 8D+1 0.02454 -0.00379 -0.03343 0.02532 -0.00878 174 8D-1 -0.01771 0.03940 0.00694 -0.00985 0.00353 175 8D+2 0.04049 0.01088 0.00269 0.03791 -0.01331 176 8D-2 -0.08892 -0.00411 0.01081 0.02562 -0.00010 177 9 C 1S -0.00165 -0.01189 -0.00442 0.01591 -0.00362 178 2S 0.00342 0.02372 0.00889 -0.03349 0.00752 179 3S 0.00854 0.06686 0.02478 -0.08759 0.02039 180 4PX 0.00130 -0.00685 -0.00544 0.01467 0.01043 181 4PY 0.00484 0.02811 0.01027 -0.04453 0.01255 182 4PZ 0.00184 0.01781 0.00534 -0.00664 0.00405 183 5PX 0.00549 -0.00194 -0.00127 -0.00052 -0.00261 184 5PY 0.00045 0.00473 0.00179 -0.00250 0.00051 185 5PZ 0.00109 0.00656 0.00192 0.00409 -0.00148 186 10 O 1S 0.00038 0.00248 0.00091 -0.00333 0.00075 187 2S -0.00092 -0.00686 -0.00252 0.00833 -0.00189 188 3S -0.00238 -0.01217 -0.00447 0.02005 -0.00448 189 4PX 0.00230 0.00445 0.00387 -0.01243 -0.01506 190 4PY -0.00313 -0.01969 -0.00723 0.03302 -0.01071 191 4PZ -0.00039 -0.01450 -0.00393 -0.00321 -0.00244 192 5PX 0.00046 0.00179 0.00168 -0.00540 -0.00712 193 5PY -0.00131 -0.00728 -0.00276 0.01467 -0.00492 194 5PZ -0.00028 -0.00745 -0.00196 -0.00407 -0.00050 71 72 73 74 75 O O O O O EIGENVALUES -- -0.25543 -0.25391 -0.25310 -0.25279 -0.25050 1 1 Cu 1S -0.00029 0.00139 0.00126 -0.00177 0.00038 2 2S 0.00609 0.02387 0.00415 -0.00594 0.00217 3 3S -0.01810 0.09708 0.08518 -0.11966 0.03369 4 4PX 0.00674 0.00174 0.00630 0.00272 0.00926 5 4PY 0.00216 -0.00417 0.00075 -0.00106 0.00158 6 4PZ 0.00061 -0.00683 -0.00448 0.00873 -0.00017 7 5PX -0.00655 -0.00503 -0.02521 -0.01172 -0.06404 8 5PY -0.00210 0.01677 0.00035 -0.00007 -0.00884 9 5PZ 0.00078 0.02529 0.01989 -0.03648 -0.00574 10 6PX -0.06853 0.02038 0.02646 0.00927 -0.22673 11 6PY 0.02409 -0.02790 0.01559 -0.04792 -0.01290 12 6PZ -0.00189 -0.02452 0.00873 -0.00372 -0.04050 13 7D 0 -0.02871 0.32059 0.09229 -0.08164 0.11983 14 7D+1 -0.12946 -0.11981 0.03160 0.12909 0.25349 15 7D-1 -0.01395 0.13322 -0.12043 0.22967 0.02620 16 7D+2 -0.00438 0.17356 -0.12837 0.24554 -0.11646 17 7D-2 0.08699 0.04615 -0.08613 0.02880 0.02342 18 8D 0 -0.00958 0.10059 0.02920 -0.02626 0.03711 19 8D+1 -0.04200 -0.03733 0.00913 0.04051 0.07774 20 8D-1 -0.00457 0.04220 -0.03708 0.07032 0.00771 21 8D+2 -0.00093 0.05485 -0.04010 0.07788 -0.03564 22 8D-2 0.02754 0.01475 -0.02796 0.00884 0.00625 23 2 Cu 1S 0.00017 0.00005 -0.00029 0.00054 -0.00006 24 2S 0.00412 -0.00872 -0.00782 0.00961 -0.00187 25 3S 0.01532 0.05112 0.00883 -0.00988 0.00703 26 4PX 0.01682 0.00033 0.00048 0.00422 0.00856 27 4PY 0.00151 0.00182 0.00632 -0.00824 0.00343 28 4PZ 0.00079 -0.00115 0.00077 -0.00021 0.00160 29 5PX -0.05835 -0.00848 0.00414 -0.00543 -0.03664 30 5PY -0.00858 0.01594 0.00009 0.00309 -0.00877 31 5PZ -0.00491 0.01402 0.00190 0.00117 -0.00739 32 6PX 0.01915 -0.00022 0.00394 -0.00805 0.03403 33 6PY 0.00596 0.00025 -0.00098 -0.00008 0.00315 34 6PZ 0.00708 -0.01192 -0.01392 0.01682 0.00588 35 7D 0 0.03258 -0.00333 0.00477 -0.01015 0.02349 36 7D+1 0.07727 0.00667 0.00779 -0.01343 0.06839 37 7D-1 0.02056 -0.00048 -0.03985 0.05771 -0.00017 38 7D+2 -0.05502 -0.02670 0.05299 -0.07670 0.00042 39 7D-2 0.02050 -0.00861 0.01688 -0.04578 0.01214 40 8D 0 0.00890 -0.00047 0.00110 -0.00235 0.00689 41 8D+1 0.02219 0.00175 0.00244 -0.00441 0.02043 42 8D-1 0.00663 -0.00086 -0.01215 0.01748 0.00016 43 8D+2 -0.01755 -0.00830 0.01632 -0.02345 -0.00049 44 8D-2 0.00886 -0.00245 0.00505 -0.01376 0.00499 45 3 Cu 1S 0.00074 -0.00170 0.00127 0.00076 0.00221 46 2S -0.02849 -0.01670 -0.02013 0.01364 -0.00055 47 3S -0.00244 -0.07719 0.05570 0.02651 0.13489 48 4PX -0.00291 0.00527 -0.00254 -0.00439 0.00227 49 4PY -0.00044 -0.00144 -0.00724 0.00211 -0.00073 50 4PZ -0.00371 0.00028 -0.00064 -0.00543 0.00776 51 5PX 0.01847 -0.01197 0.00528 0.02188 -0.02353 52 5PY -0.01016 -0.00342 0.04224 -0.01112 -0.00437 53 5PZ 0.03252 -0.00648 0.02436 0.02593 -0.01167 54 6PX 0.00996 0.00417 -0.01289 -0.00174 0.00695 55 6PY -0.01168 0.00666 0.02880 -0.00668 -0.00664 56 6PZ 0.02612 -0.00497 -0.00802 0.00329 0.02789 57 7D 0 -0.33043 -0.12484 -0.00808 -0.08920 0.04927 58 7D+1 0.19415 0.23500 0.09792 -0.05044 -0.29410 59 7D-1 -0.00344 -0.09196 0.00916 0.09082 0.00957 60 7D+2 0.10720 -0.12235 0.20735 0.00029 -0.10731 61 7D-2 -0.07494 -0.13171 0.26552 0.11913 -0.03467 62 8D 0 -0.10644 -0.04006 -0.00220 -0.02858 0.01692 63 8D+1 0.06253 0.07682 0.03030 -0.01604 -0.09564 64 8D-1 -0.00060 -0.02912 0.00401 0.02872 0.00394 65 8D+2 0.03445 -0.04005 0.06616 0.00079 -0.03484 66 8D-2 -0.02399 -0.04265 0.08528 0.03865 -0.01145 67 4 Cu 1S -0.00090 -0.00165 -0.00094 -0.00155 -0.00226 68 2S 0.03126 -0.01946 -0.00638 0.01761 -0.00819 69 3S -0.01461 -0.07087 -0.03202 -0.06709 -0.13677 70 4PX -0.00496 -0.00373 -0.00685 -0.00082 0.00336 71 4PY -0.00097 -0.00325 -0.00117 0.00760 -0.00004 72 4PZ 0.00295 -0.00128 0.00384 -0.00394 -0.00480 73 5PX 0.02907 0.01145 0.03607 0.00696 -0.02112 74 5PY 0.02013 0.00408 0.00061 -0.04238 0.00627 75 5PZ -0.03288 0.00036 -0.02268 -0.00429 -0.00367 76 6PX 0.01226 -0.00727 -0.00199 -0.00287 0.01025 77 6PY 0.00107 0.00531 -0.00564 -0.01899 0.00558 78 6PZ -0.01957 -0.00329 -0.00021 0.00136 -0.02624 79 7D 0 0.39250 -0.23736 0.07254 -0.06835 -0.17794 80 7D+1 -0.10453 -0.12268 -0.05511 -0.04352 -0.16107 81 7D-1 -0.01318 -0.11978 -0.02955 0.06850 -0.10592 82 7D+2 -0.04117 -0.09511 -0.26179 -0.22790 0.19691 83 7D-2 -0.11852 0.09895 0.11536 0.01744 0.11915 84 8D 0 0.12603 -0.07680 0.02323 -0.02293 -0.05875 85 8D+1 -0.03372 -0.04073 -0.01821 -0.01402 -0.05159 86 8D-1 -0.00465 -0.03825 -0.00947 0.02067 -0.03469 87 8D+2 -0.01363 -0.03064 -0.08470 -0.07243 0.06338 88 8D-2 -0.03771 0.03151 0.03713 0.00661 0.03842 89 5 Cu 1S 0.00105 0.00010 0.00046 -0.00063 0.00118 90 2S -0.04197 -0.00856 -0.02306 0.00808 -0.04012 91 3S -0.02752 -0.02883 -0.05768 0.01039 0.06367 92 4PX -0.00657 -0.00577 -0.00293 0.00386 0.00032 93 4PY 0.00420 -0.00022 0.00196 -0.00567 0.00424 94 4PZ -0.00484 0.00116 -0.00505 -0.00130 -0.00760 95 5PX 0.02420 0.03043 0.01345 -0.02050 -0.02738 96 5PY -0.02316 0.00377 -0.01074 0.02543 -0.00729 97 5PZ 0.01623 -0.01286 0.02173 0.01714 0.02677 98 6PX -0.00453 0.01045 0.01421 -0.00785 -0.00552 99 6PY -0.00008 0.00268 -0.02006 0.01960 0.01919 100 6PZ 0.01730 0.00428 0.00176 -0.00227 0.04024 101 7D 0 0.02619 -0.26684 0.06085 0.23063 0.11558 102 7D+1 0.23659 0.12008 0.18459 -0.07178 0.05757 103 7D-1 -0.08495 -0.03067 0.04159 0.00530 -0.18867 104 7D+2 0.01419 0.14188 -0.01209 -0.03733 -0.03379 105 7D-2 -0.27616 -0.00051 -0.16321 0.24830 -0.05379 106 8D 0 0.00971 -0.08690 0.01980 0.07633 0.03645 107 8D+1 0.07640 0.03906 0.06008 -0.02340 0.01839 108 8D-1 -0.02819 -0.00949 0.01323 0.00241 -0.06107 109 8D+2 0.00385 0.04695 -0.00317 -0.01409 -0.01105 110 8D-2 -0.09123 -0.00099 -0.05336 0.08150 -0.02053 111 6 Cu 1S 0.00013 -0.00065 -0.00077 0.00136 -0.00034 112 2S 0.00168 0.00294 0.00930 -0.01250 0.00075 113 3S 0.00015 0.02993 -0.02164 0.04720 -0.00986 114 4PX -0.00383 -0.00513 0.01449 0.00734 -0.00296 115 4PY -0.00048 0.00732 0.00273 0.00090 -0.00015 116 4PZ -0.00049 0.01424 0.00029 0.00611 -0.00107 117 5PX 0.02176 0.02332 -0.07275 -0.03321 0.01344 118 5PY 0.00288 -0.03676 -0.00221 -0.02322 0.00486 119 5PZ 0.00337 -0.06209 -0.00351 -0.02706 0.00487 120 6PX 0.02025 0.00227 -0.03795 -0.00936 0.01291 121 6PY -0.01002 -0.00928 0.00767 -0.01648 -0.00100 122 6PZ -0.00818 -0.00576 0.01133 -0.02057 0.00098 123 7D 0 -0.00157 0.27035 0.01300 0.16517 -0.00325 124 7D+1 -0.02805 -0.04171 0.21489 0.07593 0.03665 125 7D-1 0.01500 -0.26994 0.04821 -0.17446 0.03323 126 7D+2 -0.01857 0.03475 0.19628 -0.14804 0.03984 127 7D-2 0.11862 0.09162 -0.28079 -0.25490 0.00789 128 8D 0 -0.00044 0.08872 0.00306 0.05311 -0.00069 129 8D+1 -0.00910 -0.01394 0.06658 0.02401 0.01255 130 8D-1 0.00534 -0.08753 0.01681 -0.05987 0.01175 131 8D+2 -0.00671 0.01126 0.06353 -0.04651 0.01215 132 8D-2 0.04020 0.02956 -0.09203 -0.08149 0.00306 133 7 Cu 1S -0.00095 0.00018 0.00051 -0.00091 -0.00126 134 2S 0.05535 -0.00787 -0.00436 0.02976 0.03208 135 3S 0.05698 -0.02618 0.01240 0.03943 -0.06162 136 4PX -0.00703 0.00507 -0.00023 -0.00313 0.00029 137 4PY -0.00857 0.00142 0.00495 -0.00643 -0.00198 138 4PZ 0.00285 0.00249 0.00258 0.00409 0.00716 139 5PX 0.02294 -0.02588 0.00301 0.00844 -0.01852 140 5PY 0.04227 -0.00352 -0.02023 0.02834 -0.00892 141 5PZ -0.01297 -0.01909 -0.02169 -0.01256 -0.03811 142 6PX 0.00740 -0.01415 -0.00243 0.00390 0.01309 143 6PY 0.00031 0.00109 -0.00963 0.03380 -0.02378 144 6PZ -0.01391 0.00345 -0.00011 -0.00549 -0.03188 145 7D 0 0.08237 -0.30053 -0.17294 0.12843 -0.15196 146 7D+1 0.17893 0.07609 0.14425 0.17076 0.04880 147 7D-1 0.14574 -0.04274 0.00230 -0.01628 0.20191 148 7D+2 0.11466 0.11257 -0.08530 0.12625 0.02759 149 7D-2 -0.35116 0.08954 0.14068 -0.22137 -0.00464 150 8D 0 0.02538 -0.09796 -0.05723 0.04227 -0.04892 151 8D+1 0.05860 0.02476 0.04788 0.05478 0.01600 152 8D-1 0.04778 -0.01304 0.00109 -0.00550 0.06450 153 8D+2 0.03920 0.03685 -0.02764 0.04080 0.01123 154 8D-2 -0.11527 0.03003 0.04730 -0.07389 -0.00256 155 8 Cu 1S 0.00012 0.00034 -0.00096 0.00113 -0.00036 156 2S 0.00346 -0.00949 0.00800 -0.00976 0.00110 157 3S -0.00413 0.01489 -0.04843 0.06688 -0.03014 158 4PX -0.00012 0.00043 -0.00150 -0.00048 -0.00307 159 4PY 0.00047 0.00238 0.00007 -0.00045 -0.00077 160 4PZ 0.00001 -0.00395 0.00169 -0.00301 -0.00021 161 5PX 0.00205 -0.00010 0.00905 0.01346 0.02073 162 5PY -0.00133 -0.00783 0.01481 -0.01394 0.01157 163 5PZ -0.00059 0.00174 0.00027 0.00854 0.00404 164 6PX 0.00866 -0.00391 0.00809 0.01428 0.04877 165 6PY 0.00576 0.00773 0.00189 0.00320 0.01506 166 6PZ -0.00847 0.00629 0.00809 0.00189 0.00610 167 7D 0 -0.06146 -0.11871 0.16337 0.05279 -0.07819 168 7D+1 -0.11582 0.03452 0.30358 0.15255 -0.19778 169 7D-1 -0.01397 0.05007 -0.07921 0.30397 0.02967 170 7D+2 -0.00910 -0.01699 -0.27262 0.07578 -0.25172 171 7D-2 0.12554 -0.04804 0.02037 0.16900 0.46596 172 8D 0 -0.02051 -0.04176 0.05477 0.01627 -0.02578 173 8D+1 -0.03878 0.01187 0.10052 0.05045 -0.06531 174 8D-1 -0.00454 0.01727 -0.02693 0.10126 0.00956 175 8D+2 -0.00316 -0.00746 -0.08960 0.02456 -0.08272 176 8D-2 0.04229 -0.01687 0.00624 0.05485 0.15348 177 9 C 1S 0.00203 -0.00016 -0.00602 0.00903 -0.00181 178 2S -0.00427 -0.00066 0.01238 -0.01875 0.00395 179 3S -0.01109 0.00532 0.03361 -0.04953 0.00869 180 4PX -0.01790 -0.00108 -0.00494 0.00386 -0.01211 181 4PY -0.00935 -0.00163 0.01398 -0.02175 0.00223 182 4PZ -0.00417 0.00329 0.00840 -0.01298 0.00084 183 5PX -0.00218 -0.00197 -0.00236 0.00064 -0.00504 184 5PY -0.00089 0.01088 0.00267 -0.00217 -0.00053 185 5PZ -0.00005 0.00138 0.00445 -0.00711 0.00012 186 10 O 1S -0.00042 -0.00018 0.00127 -0.00196 0.00040 187 2S 0.00109 -0.00024 -0.00359 0.00537 -0.00113 188 3S 0.00240 0.00448 -0.00578 0.00974 -0.00181 189 4PX 0.02493 0.00101 0.00535 -0.00092 0.01582 190 4PY 0.00911 0.00263 -0.00879 0.01480 -0.00006 191 4PZ 0.00408 -0.00339 -0.00761 0.01262 0.00001 192 5PX 0.01333 0.00041 0.00276 0.00020 0.00972 193 5PY 0.00444 0.00041 -0.00296 0.00521 0.00095 194 5PZ 0.00187 -0.00061 -0.00421 0.00734 0.00033 76 77 78 79 80 O O O O O EIGENVALUES -- -0.24803 -0.24670 -0.24525 -0.24474 -0.24032 1 1 Cu 1S 0.00063 0.00008 -0.00116 0.00008 -0.00047 2 2S -0.01254 -0.00241 0.01198 0.00000 -0.03077 3 3S 0.06147 0.00974 -0.12642 0.00024 0.02846 4 4PX -0.00072 -0.00034 -0.00061 0.00212 -0.00412 5 4PY 0.00677 0.00037 0.00402 -0.00024 0.00940 6 4PZ 0.00033 0.00040 0.00054 0.00007 0.00879 7 5PX 0.01391 -0.01058 0.00993 -0.00393 0.02277 8 5PY -0.04784 -0.00779 -0.03798 0.00537 -0.06384 9 5PZ -0.02053 -0.00721 -0.00992 0.00387 -0.04696 10 6PX 0.03498 -0.13809 -0.00499 0.08280 0.00187 11 6PY 0.05775 -0.00616 0.08579 -0.00020 0.00454 12 6PZ -0.06570 -0.02924 0.02061 0.01793 -0.00265 13 7D 0 0.14697 -0.01883 -0.09072 -0.01568 -0.05298 14 7D+1 -0.08786 -0.10430 -0.01202 -0.03036 -0.07128 15 7D-1 0.02077 0.06178 0.04474 -0.02735 0.26726 16 7D+2 -0.16341 -0.13162 -0.16866 0.02251 -0.12973 17 7D-2 -0.10167 0.26746 -0.10535 0.02068 -0.12646 18 8D 0 0.04439 -0.00609 -0.02922 -0.00472 -0.01686 19 8D+1 -0.02697 -0.03307 -0.00441 -0.00885 -0.02305 20 8D-1 0.00649 0.01926 0.01701 -0.00867 0.08541 21 8D+2 -0.05199 -0.04085 -0.05400 0.00704 -0.04270 22 8D-2 -0.03233 0.08296 -0.03433 0.00676 -0.04087 23 2 Cu 1S -0.00053 -0.00006 -0.00015 0.00007 -0.00035 24 2S 0.00176 0.00091 0.01849 -0.00172 0.02008 25 3S -0.05385 -0.00609 -0.00720 0.00313 -0.04980 26 4PX -0.00148 0.00539 -0.00030 -0.00010 -0.00092 27 4PY 0.00181 0.00147 -0.00206 -0.00010 -0.00138 28 4PZ 0.00388 0.00186 -0.00132 0.00012 -0.00122 29 5PX 0.01318 -0.01785 0.00601 -0.00208 0.01247 30 5PY -0.03090 -0.00993 -0.00983 0.00322 -0.03392 31 5PZ -0.02738 -0.00897 -0.00249 0.00143 -0.00997 32 6PX -0.01114 0.02372 -0.01037 -0.01344 -0.00281 33 6PY -0.01004 0.00152 0.00186 -0.00155 -0.00362 34 6PZ -0.00164 0.00782 0.01494 -0.00663 0.01880 35 7D 0 -0.00286 -0.00754 -0.00242 0.01381 0.02493 36 7D+1 0.02354 -0.01969 0.01664 0.04534 0.01284 37 7D-1 -0.01360 -0.00653 -0.03176 0.01396 -0.04078 38 7D+2 0.08132 0.01502 0.03593 -0.01499 0.05385 39 7D-2 0.03100 0.02962 0.01843 -0.00627 0.02382 40 8D 0 -0.00058 -0.00205 -0.00067 0.00385 0.00661 41 8D+1 0.00683 -0.00559 0.00510 0.01258 0.00418 42 8D-1 -0.00406 -0.00192 -0.01029 0.00439 -0.01231 43 8D+2 0.02408 0.00432 0.01081 -0.00480 0.01704 44 8D-2 0.00925 0.00901 0.00574 -0.00062 0.00748 45 3 Cu 1S -0.00087 -0.00052 0.00113 0.00021 -0.00063 46 2S 0.00614 -0.02899 0.00379 -0.01024 -0.01131 47 3S -0.04289 -0.01153 0.02662 0.02008 -0.02486 48 4PX 0.00491 0.00744 -0.00392 0.00228 -0.00073 49 4PY -0.00145 -0.00238 0.00534 0.00775 0.00359 50 4PZ 0.00474 0.00427 -0.00145 0.00102 -0.00258 51 5PX -0.00745 -0.03865 0.01458 -0.00909 0.00164 52 5PY 0.00025 0.01459 -0.01815 -0.03055 -0.01066 53 5PZ -0.02830 -0.01995 0.00915 0.00514 0.00264 54 6PX 0.01733 0.00289 0.00499 -0.01765 0.00555 55 6PY -0.01150 0.00086 -0.02582 0.01339 -0.01783 56 6PZ -0.00227 -0.00428 0.01597 -0.01612 -0.00097 57 7D 0 0.08315 0.19127 -0.07132 -0.08278 0.01152 58 7D+1 0.01023 0.19475 -0.05929 -0.08054 0.06796 59 7D-1 0.01538 -0.13259 0.07894 -0.04109 -0.03985 60 7D+2 -0.03080 -0.03550 0.01161 -0.19717 0.00339 61 7D-2 0.07571 -0.04681 -0.07793 -0.17133 -0.05758 62 8D 0 0.02638 0.06263 -0.02294 -0.02563 0.00372 63 8D+1 0.00431 0.06119 -0.01939 -0.02596 0.02189 64 8D-1 0.00373 -0.04180 0.02618 -0.01172 -0.01218 65 8D+2 -0.00915 -0.01274 0.00389 -0.06385 0.00085 66 8D-2 0.02606 -0.01536 -0.02591 -0.05551 -0.01803 67 4 Cu 1S -0.00138 0.00023 0.00113 -0.00042 -0.00047 68 2S 0.00058 0.02799 0.00145 0.01336 -0.01414 69 3S -0.03890 0.00500 0.02345 -0.01505 -0.02286 70 4PX -0.00734 0.00650 0.00204 0.00450 -0.00022 71 4PY -0.00404 0.00541 0.00474 -0.00714 0.00145 72 4PZ 0.00352 -0.00147 -0.00018 0.00073 -0.00124 73 5PX 0.02908 -0.03320 -0.00717 -0.01541 0.00446 74 5PY 0.00965 -0.03081 -0.01618 0.02782 -0.00256 75 5PZ -0.02583 0.00334 0.00321 -0.00863 -0.00073 76 6PX -0.01604 -0.00342 -0.00256 -0.01469 0.00532 77 6PY -0.00845 -0.01214 -0.02343 -0.00768 -0.01552 78 6PZ -0.00358 0.00597 0.01442 0.00817 -0.00425 79 7D 0 0.08842 -0.05841 -0.02865 0.06106 0.00210 80 7D+1 -0.09995 0.21685 0.02709 -0.02360 -0.07210 81 7D-1 -0.05679 0.19749 0.09135 -0.00719 -0.05669 82 7D+2 0.01493 -0.00024 -0.01703 0.29270 0.01383 83 7D-2 -0.04690 -0.09221 0.04035 -0.01468 0.07173 84 8D 0 0.02808 -0.02045 -0.00909 0.01929 0.00083 85 8D+1 -0.03172 0.07031 0.00883 -0.00647 -0.02338 86 8D-1 -0.01975 0.06256 0.03034 -0.00379 -0.01808 87 8D+2 0.00633 0.00136 -0.00588 0.09440 0.00453 88 8D-2 -0.01531 -0.02878 0.01328 -0.00406 0.02235 89 5 Cu 1S -0.00074 0.00145 -0.00038 -0.00026 -0.00063 90 2S -0.01582 -0.02228 0.01194 -0.00840 0.00281 91 3S 0.01932 0.08283 0.00597 -0.03922 -0.00900 92 4PX -0.00185 -0.00790 0.00198 0.00071 -0.00114 93 4PY 0.00447 0.00002 0.00378 0.00330 0.00452 94 4PZ 0.00136 0.00484 -0.00027 -0.00050 0.00539 95 5PX 0.00242 0.01521 -0.00561 -0.00020 0.01128 96 5PY -0.01812 0.00762 -0.01506 -0.01383 -0.01884 97 5PZ -0.01362 -0.03294 0.00670 0.00610 -0.01749 98 6PX -0.01500 0.00202 -0.01013 0.00764 0.00123 99 6PY -0.01687 0.01951 -0.01379 -0.01724 0.00066 100 6PZ 0.01301 0.00661 0.00421 -0.01493 -0.00727 101 7D 0 -0.08770 -0.26193 0.05243 -0.00399 -0.07414 102 7D+1 -0.04689 -0.03155 -0.00966 -0.02540 -0.08231 103 7D-1 -0.01548 0.11545 -0.07994 -0.10442 -0.00222 104 7D+2 0.03260 0.19108 -0.05294 -0.02005 0.00343 105 7D-2 -0.17288 -0.10455 -0.08239 -0.00903 -0.10586 106 8D 0 -0.02931 -0.08769 0.01738 -0.00103 -0.02389 107 8D+1 -0.01555 -0.01098 -0.00304 -0.00845 -0.02691 108 8D-1 -0.00561 0.03796 -0.02662 -0.03365 -0.00014 109 8D+2 0.01133 0.06294 -0.01750 -0.00679 0.00092 110 8D-2 -0.05668 -0.03585 -0.02689 -0.00338 -0.03437 111 6 Cu 1S -0.00234 -0.00026 -0.00118 0.00003 0.00270 112 2S -0.03068 -0.00154 0.01491 -0.00143 0.02364 113 3S -0.04687 -0.00274 -0.09360 0.00500 0.13208 114 4PX -0.00053 0.00362 -0.00030 0.00198 0.00421 115 4PY 0.00502 0.00084 -0.00152 0.00105 -0.01291 116 4PZ -0.00048 0.00083 0.00414 0.00037 -0.00693 117 5PX 0.00315 -0.01595 0.00856 -0.01201 -0.02002 118 5PY -0.03031 -0.00479 -0.00297 -0.00436 0.04923 119 5PZ 0.00455 -0.00347 -0.04164 -0.00055 0.04419 120 6PX 0.00518 0.00565 0.01652 -0.02245 -0.00032 121 6PY -0.01266 -0.00626 -0.02730 0.00006 -0.00251 122 6PZ -0.01368 -0.00675 -0.05270 0.00332 0.00520 123 7D 0 -0.10091 0.02523 0.27618 0.11517 -0.23437 124 7D+1 -0.03231 0.04883 -0.05515 0.29293 0.17666 125 7D-1 0.26013 -0.00135 -0.08916 0.14773 -0.32059 126 7D+2 -0.10853 0.00824 0.01784 -0.17933 -0.05210 127 7D-2 -0.10600 -0.07910 0.04778 0.25490 0.07863 128 8D 0 -0.03271 0.00784 0.08963 0.03538 -0.07641 129 8D+1 -0.01015 0.01479 -0.01852 0.09045 0.05726 130 8D-1 0.08345 -0.00080 -0.02737 0.04653 -0.10416 131 8D+2 -0.03310 0.00319 0.00643 -0.05684 -0.01776 132 8D-2 -0.03316 -0.02585 0.01534 0.08253 0.02535 133 7 Cu 1S -0.00043 -0.00189 -0.00005 0.00043 -0.00017 134 2S -0.01702 0.01522 0.00843 0.00728 -0.00552 135 3S 0.04623 -0.07593 0.01634 0.03379 -0.00092 136 4PX 0.00054 -0.00517 -0.00134 0.00182 -0.00103 137 4PY 0.00468 -0.00036 0.00278 -0.00397 0.00446 138 4PZ 0.00312 -0.00679 -0.00041 0.00030 0.00544 139 5PX 0.00889 0.00809 0.00557 -0.00461 0.00101 140 5PY -0.01266 -0.00999 -0.01113 0.01789 -0.01983 141 5PZ -0.02004 0.03435 0.00408 -0.00363 -0.02198 142 6PX 0.00912 0.01252 0.00835 -0.00591 0.00114 143 6PY 0.00194 -0.01644 -0.00121 0.01683 0.00143 144 6PZ 0.02231 0.00275 0.01125 0.01014 -0.01009 145 7D 0 -0.09139 0.19261 0.02319 -0.00874 -0.03724 146 7D+1 0.10783 -0.15026 -0.01489 -0.05999 0.08741 147 7D-1 0.10799 -0.20039 -0.02860 0.08576 0.08487 148 7D+2 -0.08837 -0.09743 -0.07492 0.06626 -0.08196 149 7D-2 0.16136 -0.08552 0.07802 -0.04829 0.07634 150 8D 0 -0.03069 0.06419 0.00752 -0.00325 -0.01205 151 8D+1 0.03647 -0.05039 -0.00486 -0.01921 0.02848 152 8D-1 0.03557 -0.06672 -0.00982 0.02748 0.02818 153 8D+2 -0.02904 -0.03099 -0.02473 0.02195 -0.02677 154 8D-2 0.05383 -0.02884 0.02578 -0.01589 0.02450 155 8 Cu 1S 0.00047 -0.00002 0.00049 -0.00003 -0.00041 156 2S -0.00390 0.00128 0.07462 -0.00494 -0.02575 157 3S 0.04291 -0.00146 0.19858 -0.01081 -0.05921 158 4PX 0.00083 -0.00530 -0.00566 -0.00566 0.00074 159 4PY -0.00231 -0.00091 0.01252 -0.00233 0.00603 160 4PZ -0.00159 -0.00113 0.01075 -0.00178 -0.01092 161 5PX 0.00082 0.02711 0.02979 0.02141 -0.00269 162 5PY -0.00109 0.00409 -0.06614 0.01124 -0.04128 163 5PZ -0.00440 0.00571 -0.05871 0.00791 0.05899 164 6PX -0.00293 0.03946 0.01549 -0.00069 -0.00532 165 6PY -0.00604 0.01082 -0.02388 0.00072 -0.00595 166 6PZ -0.00058 0.00342 -0.05491 0.00477 0.02353 167 7D 0 -0.22014 0.02649 -0.14434 0.22387 0.55701 168 7D+1 0.10290 0.07680 0.32238 0.51536 -0.16213 169 7D-1 0.50952 0.13893 -0.40357 0.12222 0.01150 170 7D+2 0.36944 -0.18366 0.41351 -0.15144 0.22032 171 7D-2 0.05171 0.41641 0.31403 -0.11223 0.10546 172 8D 0 -0.07252 0.00852 -0.04730 0.07332 0.18685 173 8D+1 0.03400 0.02483 0.10681 0.16896 -0.05441 174 8D-1 0.16791 0.04547 -0.13436 0.04029 0.00398 175 8D+2 0.12177 -0.06025 0.13758 -0.04999 0.07428 176 8D-2 0.01717 0.13705 0.10461 -0.03647 0.03554 177 9 C 1S -0.00445 -0.00106 -0.00040 0.00035 -0.00216 178 2S 0.01090 0.00264 0.00130 -0.00090 0.00611 179 3S 0.01252 0.00294 0.00102 -0.00095 0.00125 180 4PX -0.00224 -0.00668 0.00031 -0.00146 0.00005 181 4PY 0.01328 0.00196 0.00065 -0.00113 0.00592 182 4PZ 0.00122 -0.00058 0.00192 -0.00092 0.00261 183 5PX 0.00276 -0.00233 0.00190 -0.00126 0.00320 184 5PY -0.00696 -0.00198 -0.00763 0.00103 -0.00990 185 5PZ -0.00601 -0.00169 -0.00207 0.00028 -0.00541 186 10 O 1S 0.00123 0.00030 0.00047 -0.00012 0.00090 187 2S -0.00281 -0.00072 -0.00053 0.00024 -0.00175 188 3S -0.00874 -0.00194 -0.00592 0.00110 -0.00792 189 4PX 0.00136 0.00888 -0.00026 0.00096 -0.00041 190 4PY -0.01141 -0.00111 -0.00221 0.00095 -0.00617 191 4PZ 0.00078 0.00145 -0.00276 0.00088 -0.00329 192 5PX -0.00004 0.00533 -0.00016 0.00102 -0.00084 193 5PY -0.00381 0.00014 -0.00063 0.00038 -0.00145 194 5PZ 0.00219 0.00127 -0.00183 0.00051 -0.00074 81 82 83 84 85 O O O V V EIGENVALUES -- -0.20743 -0.20421 -0.18388 -0.09648 -0.08718 1 1 Cu 1S 0.00090 -0.00040 -0.00276 -0.00064 -0.00044 2 2S 0.01234 -0.00406 -0.17441 -0.03731 -0.01574 3 3S 0.02601 -0.01133 0.12272 0.14235 0.03073 4 4PX 0.02985 0.04293 -0.00726 -0.00464 0.02439 5 4PY -0.05735 0.03131 0.00052 0.00867 0.00548 6 4PZ 0.00200 0.00798 0.04101 0.00787 0.00475 7 5PX -0.07269 -0.09182 0.02236 0.03502 -0.06408 8 5PY 0.14309 -0.07357 -0.01221 -0.08795 -0.00991 9 5PZ 0.00322 -0.01994 -0.11273 -0.06340 -0.01424 10 6PX 0.01631 0.01035 0.00892 0.01743 0.66029 11 6PY -0.07511 0.04203 -0.01058 -0.04603 0.09219 12 6PZ -0.00457 0.00828 -0.05617 -0.10619 0.10749 13 7D 0 -0.05397 -0.00470 -0.15551 0.00133 -0.00568 14 7D+1 -0.00855 -0.07990 0.03489 -0.02127 -0.02375 15 7D-1 0.06960 -0.08108 0.01940 0.09832 0.00638 16 7D+2 0.11965 0.04931 -0.03839 0.00158 -0.01413 17 7D-2 -0.03697 -0.17976 -0.02822 -0.02510 0.04835 18 8D 0 -0.01778 -0.00184 -0.05105 -0.00147 -0.00155 19 8D+1 -0.00364 -0.02692 0.01171 -0.00652 -0.00624 20 8D-1 0.02332 -0.02678 0.00651 0.03175 0.00214 21 8D+2 0.03734 0.01665 -0.01150 -0.00066 -0.00465 22 8D-2 -0.01269 -0.05829 -0.00882 -0.00840 0.01503 23 2 Cu 1S -0.00066 0.00030 -0.00037 0.00014 0.00013 24 2S -0.14922 0.05739 -0.03076 -0.02873 0.00098 25 3S 0.01573 0.00100 0.01053 -0.10089 -0.00404 26 4PX 0.01074 0.05740 -0.00338 0.00737 -0.05383 27 4PY 0.03548 -0.00226 -0.01034 0.03212 -0.00840 28 4PZ 0.02100 0.00261 0.03968 -0.05764 -0.01175 29 5PX -0.04897 -0.17023 0.01366 -0.01546 0.24994 30 5PY -0.04627 -0.01328 0.01673 -0.18345 0.04302 31 5PZ -0.03627 -0.01741 -0.12850 0.20639 0.05508 32 6PX 0.02796 0.03852 -0.00138 0.02883 -0.37537 33 6PY -0.01597 0.01601 -0.00273 -0.01967 -0.06528 34 6PZ -0.04054 0.02573 0.03323 -0.05836 -0.07528 35 7D 0 0.02485 -0.00310 -0.02991 0.10063 0.02115 36 7D+1 0.02415 0.00589 0.00386 -0.03771 0.04553 37 7D-1 -0.02566 0.02438 0.05618 0.08428 0.05063 38 7D+2 0.08552 -0.06131 0.02560 0.07244 -0.07722 39 7D-2 0.06557 0.04202 -0.00061 0.00287 0.17372 40 8D 0 0.01162 -0.00175 -0.00578 0.01994 0.00430 41 8D+1 0.00821 0.00362 -0.00035 -0.00676 0.00970 42 8D-1 -0.01018 0.00991 0.02038 0.01521 0.01127 43 8D+2 0.02965 -0.02300 0.00823 0.01661 -0.01732 44 8D-2 0.02433 0.01787 -0.00046 0.00154 0.03856 45 3 Cu 1S 0.00229 -0.00003 0.00020 0.00165 -0.00441 46 2S -0.08420 -0.16453 0.22631 -0.01372 -0.10610 47 3S 0.05157 0.00925 0.00926 0.07377 -0.10661 48 4PX 0.01457 0.01709 0.02255 0.00348 0.00915 49 4PY -0.02986 0.00473 -0.00408 -0.04223 0.02282 50 4PZ 0.01964 0.01712 0.02868 0.00384 0.00558 51 5PX -0.05734 -0.06088 -0.03340 -0.02003 -0.04682 52 5PY 0.07396 -0.02078 0.01147 0.11973 -0.06568 53 5PZ -0.03570 -0.03457 -0.09908 0.00047 -0.01528 54 6PX -0.04400 -0.04944 0.03152 0.01117 -0.01228 55 6PY 0.05443 -0.01238 0.00210 0.06063 -0.14184 56 6PZ -0.01021 -0.00219 -0.04183 0.03879 -0.00764 57 7D 0 0.11649 0.09057 0.10482 -0.00502 0.02297 58 7D+1 0.03070 0.04401 -0.06386 -0.01493 -0.00652 59 7D-1 -0.13978 -0.01351 -0.01424 0.02214 0.03721 60 7D+2 -0.02393 -0.09256 -0.02486 -0.01417 0.00001 61 7D-2 0.11026 -0.10108 -0.00658 0.07067 0.01526 62 8D 0 0.03902 0.03102 0.03374 -0.00378 0.00793 63 8D+1 0.00934 0.01575 -0.02310 -0.00371 -0.00138 64 8D-1 -0.04569 -0.00338 -0.00718 0.00657 0.01249 65 8D+2 -0.01063 -0.03335 -0.00678 -0.00648 0.00068 66 8D-2 0.03770 -0.03408 -0.00117 0.02230 0.00438 67 4 Cu 1S 0.00163 -0.00138 0.00015 0.00163 0.00501 68 2S 0.03887 0.17177 0.23306 -0.01642 0.11365 69 3S 0.01974 -0.03753 0.00878 0.08096 0.11395 70 4PX 0.00802 0.02383 -0.02726 0.00947 0.01928 71 4PY -0.02432 0.02582 -0.01201 -0.03862 -0.01875 72 4PZ 0.00481 -0.01835 0.01889 0.00521 0.00251 73 5PX -0.02090 -0.08016 0.05586 -0.02075 -0.07365 74 5PY 0.06561 -0.06567 0.02597 0.11357 0.04708 75 5PZ -0.00880 0.02270 -0.08124 0.00045 -0.01758 76 6PX -0.01513 -0.05114 -0.01356 -0.04116 -0.06494 77 6PY 0.04443 -0.05000 -0.00966 0.04005 0.14068 78 6PZ -0.00699 -0.01323 -0.05137 0.02879 -0.01030 79 7D 0 0.04212 -0.09522 0.11937 0.00477 -0.01480 80 7D+1 0.05872 0.11123 -0.01368 0.01364 0.02115 81 7D-1 -0.12458 0.13147 -0.00219 0.00451 -0.02385 82 7D+2 0.11464 0.05140 -0.03061 0.03499 -0.01647 83 7D-2 -0.04755 0.00733 -0.01643 -0.07089 0.01777 84 8D 0 0.01430 -0.03180 0.04021 -0.00096 -0.00515 85 8D+1 0.02071 0.03897 -0.00133 0.00445 0.00758 86 8D-1 -0.04170 0.04350 -0.00243 0.00066 -0.00844 87 8D+2 0.03805 0.01930 -0.00939 0.00963 -0.00580 88 8D-2 -0.01705 0.00531 -0.00468 -0.02337 0.00511 89 5 Cu 1S 0.00161 -0.00052 -0.00300 0.00180 -0.00285 90 2S -0.24093 -0.21288 -0.14884 0.03808 -0.01236 91 3S -0.07164 -0.06487 -0.08502 -0.00039 -0.21177 92 4PX -0.01194 0.00324 -0.01200 -0.00004 0.00086 93 4PY -0.01064 0.00667 -0.00257 0.00880 0.03469 94 4PZ -0.01319 -0.01274 0.01642 -0.01314 0.00432 95 5PX 0.00166 -0.02916 0.03277 0.02010 0.02487 96 5PY 0.03001 -0.02554 0.00499 -0.03782 -0.10908 97 5PZ 0.01670 0.01632 -0.06046 0.03641 0.00501 98 6PX -0.00135 -0.01729 -0.00489 -0.01119 0.05202 99 6PY 0.01336 0.01441 0.01393 -0.04319 -0.25617 100 6PZ -0.01533 -0.01967 -0.01040 0.06509 -0.10742 101 7D 0 0.02257 0.05010 -0.09511 0.04611 0.00344 102 7D+1 0.03471 -0.01111 -0.05573 0.00597 -0.02061 103 7D-1 0.03291 -0.01006 0.03853 0.02150 -0.05356 104 7D+2 0.06913 -0.09553 0.02574 0.01390 0.00867 105 7D-2 0.09225 -0.04049 0.00010 -0.02865 -0.03311 106 8D 0 0.00710 0.01706 -0.03115 0.01520 0.00075 107 8D+1 0.00781 -0.00799 -0.01986 0.00396 -0.00654 108 8D-1 0.01177 -0.00314 0.01177 0.00651 -0.01700 109 8D+2 0.01872 -0.03418 0.00666 0.00376 0.00357 110 8D-2 0.03046 -0.01162 0.00113 -0.00722 -0.01191 111 6 Cu 1S -0.00116 0.00032 -0.00045 0.00430 0.00014 112 2S 0.25702 -0.10115 0.09879 0.19871 0.00296 113 3S -0.02172 0.00844 0.03473 -0.04191 0.00490 114 4PX 0.01281 0.01455 -0.01284 -0.00776 0.03223 115 4PY -0.00931 0.00619 0.02607 0.00181 0.00514 116 4PZ -0.01939 0.00950 0.04005 0.03005 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-0.00009 0.00008 -0.00213 -0.00471 0.00105 2 2S 0.00044 0.00206 -0.04542 -0.10293 -0.08755 3 3S -0.00298 -0.01082 0.01097 -0.35191 -1.38252 4 4PX 0.05119 -0.05359 -0.00195 -0.00882 0.00693 5 4PY 0.01131 -0.00333 -0.04222 0.01757 -0.01657 6 4PZ 0.01109 -0.00933 0.02640 0.03918 -0.01983 7 5PX -0.14159 0.10637 -0.01721 0.02594 -0.04502 8 5PY -0.03855 -0.01050 0.14047 -0.04711 0.11187 9 5PZ -0.03401 0.01471 -0.05039 -0.08610 0.12260 10 6PX 0.65001 0.69866 -0.17310 0.04691 -0.17179 11 6PY 0.04954 -0.00709 0.60523 -0.05739 0.05559 12 6PZ 0.09783 0.09052 0.04514 -0.21312 -0.27030 13 7D 0 0.00504 0.01001 -0.03162 -0.05561 0.01281 14 7D+1 0.01516 0.02948 0.02086 0.00592 0.00021 15 7D-1 0.01781 0.01860 0.02117 0.00302 -0.00979 16 7D+2 -0.02754 -0.04101 0.05075 -0.04223 0.01574 17 7D-2 0.05041 0.06029 0.02450 -0.02409 0.00981 18 8D 0 0.00111 0.00296 -0.01089 -0.01730 0.00364 19 8D+1 0.00408 0.00849 0.00638 0.00247 0.00279 20 8D-1 0.00515 0.00584 0.00511 0.00163 -0.01025 21 8D+2 -0.00785 -0.01134 0.01185 -0.00881 0.00875 22 8D-2 0.01494 0.01801 0.00643 -0.00610 0.00666 23 2 Cu 1S 0.00003 -0.00003 -0.00069 0.00024 0.00208 24 2S -0.00117 -0.00131 -0.03140 -0.00150 0.05726 25 3S -0.01428 0.01725 -0.32916 0.33540 0.82473 26 4PX -0.01351 -0.04148 -0.00687 0.00292 -0.00737 27 4PY -0.00245 -0.00758 0.00094 -0.00082 0.00372 28 4PZ -0.00333 -0.00826 0.00935 0.01051 0.02802 29 5PX 0.03231 0.06054 -0.00031 -0.00367 0.01757 30 5PY 0.00540 0.00413 -0.00173 -0.00804 0.03108 31 5PZ 0.00814 0.00467 0.03746 -0.02214 -0.11606 32 6PX -0.27184 -0.30510 0.05554 -0.05613 -0.23863 33 6PY -0.03862 -0.01709 -0.31092 0.22114 1.51983 34 6PZ -0.06187 -0.07370 0.03579 0.04754 0.32196 35 7D 0 -0.00029 -0.00277 -0.02182 0.02436 -0.00698 36 7D+1 0.00624 -0.01475 -0.01431 0.00392 0.00125 37 7D-1 -0.01567 -0.02989 0.06993 -0.00819 0.03596 38 7D+2 0.02346 0.04415 -0.02488 0.04559 0.01017 39 7D-2 -0.05664 -0.08266 -0.03368 0.02814 -0.00701 40 8D 0 0.00055 -0.00106 -0.00337 0.00345 -0.00740 41 8D+1 0.00270 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0.01725 0.03068 -0.00026 -0.01955 62 8D 0 0.00832 -0.01617 0.00792 0.00787 0.00242 63 8D+1 -0.00214 -0.00381 -0.00109 -0.00483 -0.00942 64 8D-1 0.00732 0.00486 -0.00958 0.00018 -0.00318 65 8D+2 -0.00948 0.00862 -0.00326 -0.00496 0.00623 66 8D-2 0.00623 0.00584 0.00819 -0.00018 -0.00914 67 4 Cu 1S -0.00553 0.00151 -0.00181 -0.00359 0.00101 68 2S -0.07323 -0.05369 0.01435 0.07002 0.00935 69 3S -0.12020 -0.21886 0.13149 0.09688 -0.38326 70 4PX -0.00739 0.00549 -0.04494 -0.02553 -0.02817 71 4PY -0.03750 -0.02136 -0.01025 -0.02849 0.02260 72 4PZ -0.02150 0.03491 0.00314 -0.02794 0.02363 73 5PX 0.06039 -0.10787 0.16583 0.08345 0.10695 74 5PY 0.16034 0.07133 -0.03016 0.11463 -0.03142 75 5PZ 0.08902 -0.15115 0.02618 0.14484 -0.07491 76 6PX -0.10234 -0.25264 0.19619 0.14193 0.50849 77 6PY 0.09342 0.10274 -0.13069 0.19785 -0.18439 78 6PZ 0.18284 -0.22350 0.08330 0.38801 0.10681 79 7D 0 -0.01596 0.03126 0.03027 0.02565 0.01684 80 7D+1 0.02111 -0.03881 -0.00834 -0.00635 0.02888 81 7D-1 -0.01580 -0.01488 -0.04312 0.01908 0.00057 82 7D+2 0.00212 -0.02393 0.00408 -0.01037 -0.01291 83 7D-2 0.04406 0.00793 -0.01595 -0.02540 0.03082 84 8D 0 -0.00674 0.00952 0.00998 0.00779 0.00770 85 8D+1 0.00595 -0.01335 -0.00321 -0.00093 0.00591 86 8D-1 -0.00277 -0.00464 -0.01353 0.00121 0.00347 87 8D+2 0.00199 -0.00855 -0.00037 -0.00290 -0.00399 88 8D-2 0.01163 0.00124 -0.00457 -0.00487 0.01169 89 5 Cu 1S 0.00339 -0.00274 0.00296 0.00361 0.00256 90 2S 0.02635 0.09087 -0.01487 0.03508 0.04070 91 3S -0.05177 0.02963 0.07835 -0.09808 -0.04973 92 4PX -0.02786 0.04890 -0.01982 -0.01657 -0.01754 93 4PY 0.03255 -0.01050 0.02917 -0.00827 -0.00094 94 4PZ 0.02054 0.03400 -0.01353 -0.01332 -0.01854 95 5PX 0.11709 -0.21870 0.08621 0.11540 0.08891 96 5PY -0.14119 0.02741 -0.14823 0.03605 0.05081 97 5PZ -0.07752 -0.14751 0.07651 0.09320 0.11230 98 6PX 0.16726 -0.44043 0.13828 0.16995 0.05983 99 6PY -0.22994 -0.03344 -0.38171 0.09547 0.15151 100 6PZ -0.19462 -0.34390 0.21135 0.25166 0.14027 101 7D 0 -0.03025 -0.01271 -0.00557 -0.00765 -0.02459 102 7D+1 0.01186 -0.00458 -0.02529 -0.04084 -0.00645 103 7D-1 0.00092 -0.00216 0.00387 0.01468 -0.02950 104 7D+2 -0.01166 0.01301 0.01927 0.00276 -0.00024 105 7D-2 -0.02153 0.01056 0.02645 -0.01108 -0.01192 106 8D 0 -0.00797 -0.00273 -0.00316 -0.00145 -0.00539 107 8D+1 0.00182 0.00161 -0.00700 -0.00949 -0.00095 108 8D-1 -0.00067 0.00090 0.00083 0.00413 -0.00747 109 8D+2 -0.00113 0.00448 0.00304 0.00036 0.00194 110 8D-2 -0.00605 0.00313 0.00410 -0.00104 -0.00530 111 6 Cu 1S 0.00017 0.00001 -0.00232 -0.00209 0.00159 112 2S 0.00697 -0.00917 0.09118 0.00520 0.00859 113 3S -0.00246 -0.00382 0.09675 -0.06590 -0.37064 114 4PX 0.04718 0.01353 0.00164 -0.01705 0.01331 115 4PY 0.01112 0.00309 0.03090 0.03927 -0.02952 116 4PZ 0.01130 0.00843 -0.03138 0.03316 -0.01647 117 5PX -0.16757 -0.09071 -0.01287 0.04900 -0.05214 118 5PY -0.03729 -0.01808 -0.12222 -0.10331 0.14716 119 5PZ -0.04323 -0.03716 0.13379 -0.08335 0.05061 120 6PX -0.10853 -0.13624 0.04671 0.04194 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160 4PZ 0.01319 -0.00247 0.01952 -0.03799 0.02728 161 5PX -0.24173 -0.04631 0.01378 -0.08104 0.05811 162 5PY -0.06320 -0.00004 0.01623 0.15587 -0.03418 163 5PZ -0.05925 0.00441 -0.04048 0.16814 -0.13535 164 6PX -0.27373 -0.30037 0.05238 -0.17894 0.28625 165 6PY -0.07800 -0.03473 -0.09120 0.38913 -0.41174 166 6PZ -0.04870 0.00929 -0.19908 0.46477 -0.41241 167 7D 0 -0.01069 -0.00069 -0.01793 -0.00198 -0.00526 168 7D+1 -0.02269 -0.00578 0.01395 0.00550 -0.00926 169 7D-1 -0.01207 0.00705 -0.02931 -0.03263 0.02886 170 7D+2 0.01912 -0.01595 -0.00603 -0.01450 -0.00776 171 7D-2 -0.02499 0.02818 0.00901 -0.00192 -0.01289 172 8D 0 -0.00324 -0.00103 -0.00389 -0.00266 -0.00098 173 8D+1 -0.00694 -0.00215 0.00345 0.00244 -0.00297 174 8D-1 -0.00354 0.00124 -0.00862 -0.00684 0.00793 175 8D+2 0.00499 -0.00255 -0.00096 -0.00164 -0.00392 176 8D-2 -0.00604 0.00467 0.00251 0.00056 -0.00415 177 9 C 1S -0.00112 -0.00342 0.01757 -0.01663 -0.00324 178 2S 0.00311 0.01115 -0.06140 0.05633 0.02551 179 3S 0.00642 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0.80517 0.43647 4 4PX -0.00855 0.00149 -0.00536 0.00466 -0.00702 5 4PY 0.00882 0.00884 -0.00111 -0.00884 0.00103 6 4PZ 0.00604 0.00759 -0.00123 0.00440 0.01006 7 5PX 0.05082 0.00138 0.02809 -0.03357 0.04788 8 5PY -0.06487 -0.05512 -0.00610 0.05111 -0.02604 9 5PZ -0.03541 -0.04143 -0.00182 -0.02369 -0.01764 10 6PX 0.19922 -0.00414 1.59597 0.56604 -0.37618 11 6PY 0.00748 -0.10359 0.23486 -0.36599 0.34604 12 6PZ 0.16597 0.10448 0.24863 -0.11880 -0.38259 13 7D 0 -0.01100 -0.01501 0.00220 -0.01057 0.00058 14 7D+1 -0.00283 -0.00079 -0.00899 0.04267 -0.02706 15 7D-1 -0.00120 -0.00870 0.00513 -0.05398 0.02850 16 7D+2 -0.02304 -0.02368 -0.00303 0.04374 0.03040 17 7D-2 -0.01177 -0.00684 0.01492 0.02165 0.01605 18 8D 0 -0.00513 -0.00629 0.00011 -0.00296 -0.00112 19 8D+1 -0.00010 0.00053 -0.00319 0.01120 -0.00559 20 8D-1 -0.00002 -0.00186 -0.00048 -0.01624 0.00611 21 8D+2 -0.00458 -0.00650 0.00221 0.01148 0.01021 22 8D-2 -0.00465 -0.00068 -0.00089 0.00632 0.00440 23 2 Cu 1S -0.00346 -0.00360 0.00031 0.00591 0.00196 24 2S -0.03945 -0.03646 0.00487 0.15967 0.06856 25 3S 0.07000 0.11214 0.03694 1.58557 1.66461 26 4PX 0.02839 -0.02532 0.02022 0.00349 -0.00178 27 4PY -0.01221 -0.02502 0.00420 -0.01417 0.00551 28 4PZ 0.02336 0.01971 0.00379 0.01182 -0.01721 29 5PX -0.11955 0.11618 -0.06381 -0.02757 0.02398 30 5PY 0.02051 0.07598 -0.01531 0.08035 -0.03678 31 5PZ -0.08087 -0.06210 -0.01539 -0.05403 0.07705 32 6PX -0.09070 0.35769 -0.76411 -0.39793 0.09539 33 6PY -0.67693 -0.62707 -0.01237 0.63322 0.50123 34 6PZ -0.33707 -0.33358 -0.09813 0.02052 0.79579 35 7D 0 0.02090 0.00006 -0.01283 0.00871 -0.02167 36 7D+1 0.04579 -0.03282 -0.02995 -0.01173 0.01714 37 7D-1 0.02234 0.01018 0.00207 0.02488 -0.01180 38 7D+2 0.03282 0.05779 -0.00570 -0.01098 0.02147 39 7D-2 0.02423 0.00579 0.03407 -0.00408 0.00370 40 8D 0 0.00439 0.00080 -0.00237 -0.00482 -0.00775 41 8D+1 0.00818 -0.00473 -0.00471 -0.00147 0.00165 42 8D-1 0.00245 0.00212 0.00072 0.01219 0.00210 43 8D+2 0.01042 0.01271 -0.00158 -0.00484 -0.00062 44 8D-2 0.00340 0.00479 0.00686 -0.00391 -0.00088 45 3 Cu 1S -0.00110 -0.00051 0.00315 -0.00399 0.00320 46 2S -0.00109 0.00510 0.04371 -0.04829 0.04503 47 3S 0.37146 0.38554 0.22329 -0.00482 0.61995 48 4PX 0.01181 0.02623 0.00484 0.01099 -0.01646 49 4PY 0.02091 0.02584 -0.03605 0.01227 -0.00294 50 4PZ -0.01044 0.00592 0.01884 -0.02018 0.01132 51 5PX -0.05219 -0.10807 -0.03421 -0.04488 0.11806 52 5PY -0.10672 -0.10023 0.17182 -0.02874 0.01329 53 5PZ 0.06071 -0.02434 -0.08757 0.11077 -0.04652 54 6PX 0.17409 -0.01879 -0.17362 0.04358 1.23388 55 6PY -0.21031 -0.06677 0.33485 0.45857 -0.05396 56 6PZ -0.03636 -0.30142 -0.35082 0.11382 -0.54750 57 7D 0 -0.02066 0.00422 -0.00483 0.03683 0.00181 58 7D+1 -0.00659 0.03337 0.02643 0.00353 0.05497 59 7D-1 -0.03898 -0.00977 -0.00699 0.01990 -0.00857 60 7D+2 -0.04189 0.02491 0.02398 0.01726 -0.01884 61 7D-2 -0.03152 -0.01369 -0.03226 -0.01737 -0.01703 62 8D 0 -0.00461 0.00128 -0.00165 0.00951 0.00225 63 8D+1 0.00007 0.00838 0.00669 0.00260 0.01299 64 8D-1 -0.00971 -0.00103 -0.00279 0.00378 -0.00203 65 8D+2 -0.01153 0.00392 0.00691 0.00549 -0.00312 66 8D-2 -0.00745 -0.00651 -0.00707 -0.00547 -0.00255 67 4 Cu 1S -0.00027 -0.00170 -0.00258 -0.00151 -0.00025 68 2S 0.00426 -0.00338 -0.05006 -0.02069 0.00830 69 3S 0.34080 0.43391 -0.38538 0.21190 0.40277 70 4PX -0.03085 -0.01876 -0.00595 -0.01132 0.01720 71 4PY 0.00886 0.01966 0.03858 0.02185 -0.01639 72 4PZ -0.00286 -0.01789 -0.01374 -0.00706 -0.00565 73 5PX 0.12664 0.08630 0.01271 0.01352 -0.09033 74 5PY -0.03030 -0.09064 -0.17999 -0.08357 0.07293 75 5PZ 0.00748 0.09708 0.05761 0.03304 0.03954 76 6PX 0.09313 -0.08374 -0.05569 -0.44270 -0.65922 77 6PY 0.02854 -0.18817 -0.42317 0.08311 0.04208 78 6PZ -0.25340 -0.04189 0.23527 -0.37652 -0.24982 79 7D 0 -0.01250 -0.01121 0.01361 0.00441 0.00163 80 7D+1 -0.01868 0.00984 0.01717 -0.04483 -0.02234 81 7D-1 -0.00779 -0.02631 -0.00394 0.01167 -0.00920 82 7D+2 0.02240 -0.05602 -0.00491 0.01826 -0.02006 83 7D-2 0.03233 0.01114 -0.03808 0.01480 0.01872 84 8D 0 -0.00365 -0.00346 0.00367 0.00208 0.00050 85 8D+1 -0.00630 0.00087 0.00218 -0.01192 -0.00552 86 8D-1 -0.00016 -0.00699 0.00066 0.00257 -0.00337 87 8D+2 0.00295 -0.01449 -0.00201 0.00339 -0.00064 88 8D-2 0.00801 0.00247 -0.00978 0.00590 0.00448 89 5 Cu 1S 0.00002 -0.00023 0.00302 -0.00032 -0.00172 90 2S -0.03294 -0.03265 0.02659 -0.10406 -0.11218 91 3S -0.15534 -0.15524 0.00088 -1.04201 -1.01858 92 4PX -0.00905 0.01761 0.00698 -0.00795 0.02874 93 4PY -0.06356 0.01532 -0.00040 0.01346 0.00539 94 4PZ -0.00850 -0.00971 -0.04213 0.02863 -0.00965 95 5PX 0.07749 -0.05056 -0.01963 0.08881 -0.08559 96 5PY 0.27941 -0.06811 -0.02189 -0.05723 0.00450 97 5PZ 0.05403 0.06471 0.19372 -0.10998 0.08531 98 6PX 0.37892 0.03512 -0.15131 1.00569 -0.15725 99 6PY 0.81669 -0.18225 -0.57131 -0.46188 0.14158 100 6PZ 0.34468 0.50795 0.18503 -0.10814 1.04924 101 7D 0 -0.00743 -0.01539 -0.00400 0.01349 -0.01448 102 7D+1 -0.01626 -0.02416 -0.00818 -0.02158 -0.00266 103 7D-1 -0.00939 -0.01322 0.02663 -0.01238 0.01337 104 7D+2 -0.03288 -0.00466 0.00662 -0.01637 0.00579 105 7D-2 -0.00291 0.02666 0.00282 0.00208 -0.02474 106 8D 0 -0.00136 -0.00183 0.00265 0.00063 -0.00076 107 8D+1 -0.00457 -0.00733 0.00025 -0.00996 -0.00413 108 8D-1 0.00148 -0.00356 0.00327 -0.00193 -0.00048 109 8D+2 -0.00751 -0.00429 0.00053 -0.00456 -0.00212 110 8D-2 0.00523 0.00380 0.00220 -0.00155 -0.00460 111 6 Cu 1S -0.00089 -0.00014 -0.00009 0.00339 -0.00454 112 2S -0.03213 -0.02907 -0.00266 0.02177 -0.04284 113 3S -0.09434 -0.07633 -0.05676 0.12716 -0.15554 114 4PX 0.03091 -0.01820 -0.03122 -0.00974 0.01889 115 4PY -0.00332 -0.01711 -0.00698 -0.01160 0.01586 116 4PZ -0.00615 -0.01511 -0.00894 0.00532 -0.03083 117 5PX -0.14991 0.08527 0.11376 0.05009 -0.07832 118 5PY 0.03224 0.10893 0.02371 0.06629 -0.09664 119 5PZ 0.02024 0.05911 0.02927 -0.08879 0.15930 120 6PX -0.45957 0.20790 0.33129 -0.06101 -0.23341 121 6PY 0.35841 0.68876 0.01987 1.06873 -0.43930 122 6PZ 0.05423 0.18755 0.09029 0.00623 0.46295 123 7D 0 0.01382 0.01520 0.01705 -0.01509 0.01325 124 7D+1 -0.00451 0.00123 0.05746 -0.00242 -0.00241 125 7D-1 0.01599 0.01568 0.01451 0.04643 -0.03001 126 7D+2 0.01963 0.04300 -0.02795 0.00553 -0.01439 127 7D-2 0.03323 -0.01108 0.03748 -0.00799 0.00187 128 8D 0 0.00437 0.00415 0.00283 -0.00640 0.00250 129 8D+1 -0.00010 -0.00057 0.01074 0.00114 -0.00070 130 8D-1 0.00338 0.00419 0.00304 0.01015 -0.00557 131 8D+2 0.00695 0.01108 -0.00666 0.00179 -0.00221 132 8D-2 0.00553 0.00038 0.01093 -0.00031 -0.00111 133 7 Cu 1S -0.00030 -0.00009 -0.00254 -0.00158 -0.00045 134 2S -0.02491 -0.02916 -0.02328 -0.11902 -0.09587 135 3S -0.05997 -0.08051 -0.05058 -1.03645 -0.96151 136 4PX -0.02236 0.03073 -0.00669 -0.01884 -0.00920 137 4PY 0.01494 -0.05262 0.00107 0.01043 0.00177 138 4PZ -0.01796 0.00059 0.03609 0.01185 0.00446 139 5PX 0.07370 -0.16974 0.02060 0.02326 -0.01105 140 5PY -0.07022 0.22159 0.02633 -0.05048 -0.00977 141 5PZ 0.08866 0.00082 -0.16090 -0.04203 -0.01040 142 6PX -0.01945 -0.77357 -0.24659 -0.63496 -0.34388 143 6PY -0.25041 0.62970 0.48302 -0.38831 -0.42272 144 6PZ 0.48685 0.20519 -0.26534 0.21094 0.20289 145 7D 0 0.00450 0.00051 0.00341 0.00686 0.01068 146 7D+1 0.02832 0.01485 -0.00082 0.02147 -0.01662 147 7D-1 -0.00712 -0.01013 -0.02811 -0.01762 0.03334 148 7D+2 0.00668 -0.03320 -0.00994 -0.01647 -0.01009 149 7D-2 -0.01846 -0.02180 0.01212 -0.00551 0.00749 150 8D 0 0.00286 0.00046 -0.00101 0.00408 0.00356 151 8D+1 0.00552 0.00370 0.00214 0.00736 -0.00005 152 8D-1 -0.00235 -0.00028 -0.00286 -0.00112 0.00472 153 8D+2 -0.00324 -0.00385 -0.00363 -0.00817 -0.00438 154 8D-2 -0.00436 -0.00950 0.00252 -0.00201 0.00031 155 8 Cu 1S -0.00162 -0.00239 0.00024 -0.00112 0.00054 156 2S -0.07534 -0.09903 0.01976 0.03152 0.01227 157 3S -0.44412 -0.56119 0.17807 0.26766 -0.25556 158 4PX 0.02170 -0.02436 0.04188 0.00054 -0.00731 159 4PY 0.00082 -0.00348 0.00736 0.03034 -0.01412 160 4PZ 0.02575 0.01514 0.01183 -0.01614 0.02651 161 5PX -0.09730 0.11000 -0.21923 -0.00308 0.02958 162 5PY -0.01488 0.00642 -0.04843 -0.13289 0.08550 163 5PZ -0.12397 -0.07904 -0.06505 0.03554 -0.10836 164 6PX -0.40241 0.22255 -1.16970 -0.17092 0.27334 165 6PY 0.19180 0.28876 -0.29054 -1.15368 0.34825 166 6PZ -0.22975 -0.00791 -0.33845 0.69515 -0.36940 167 7D 0 0.00645 0.01670 0.01523 -0.02457 0.00509 168 7D+1 -0.01647 0.00884 0.02764 0.01876 -0.01962 169 7D-1 0.01016 0.00996 0.01356 0.01450 -0.01597 170 7D+2 0.00513 0.01618 -0.02178 -0.01263 0.00048 171 7D-2 0.02506 -0.01624 0.02672 -0.00554 0.00481 172 8D 0 -0.00137 0.00144 0.00223 0.00135 -0.00097 173 8D+1 -0.00249 0.00379 0.00398 0.00038 -0.00129 174 8D-1 0.00031 0.00139 0.00253 0.00413 -0.00384 175 8D+2 0.00276 0.00359 -0.00416 -0.00035 -0.00005 176 8D-2 0.00289 0.00041 0.00321 -0.00039 0.00099 177 9 C 1S -0.00435 -0.00406 0.00023 0.01365 -0.00205 178 2S 0.00959 0.00936 0.00046 -0.02120 0.02337 179 3S 0.00092 -0.00458 -0.00039 -0.11997 -0.01872 180 4PX 0.16016 -0.16300 0.12551 0.01247 -0.00990 181 4PY -0.02459 -0.09619 0.02185 -0.01121 0.06989 182 4PZ 0.14014 0.11025 0.02986 0.01605 -0.08847 183 5PX 0.12094 -0.12036 0.09122 0.01873 0.00346 184 5PY -0.00781 -0.06015 0.00863 -0.03381 -0.00182 185 5PZ 0.08666 0.06388 0.01964 0.00857 -0.10690 186 10 O 1S 0.01244 0.01280 -0.00165 -0.01404 -0.01467 187 2S -0.03487 -0.03581 0.00493 0.04152 0.04359 188 3S -0.07003 -0.07182 0.00741 0.07522 0.07226 189 4PX -0.05797 0.06111 -0.04129 -0.00595 0.00306 190 4PY 0.00678 0.03434 -0.00767 0.02305 -0.01820 191 4PZ -0.05954 -0.04959 -0.00848 -0.01129 0.02603 192 5PX -0.06750 0.06212 -0.04525 -0.00480 0.00524 193 5PY 0.01924 0.04939 -0.00968 0.00740 -0.02864 194 5PZ -0.04967 -0.03717 -0.01162 -0.01106 0.03298 101 102 103 104 105 V V V V V EIGENVALUES -- 0.03711 0.03913 0.04359 0.04421 0.04993 1 1 Cu 1S -0.00034 -0.00173 0.00038 -0.00147 0.00096 2 2S 0.00302 0.12034 0.00708 -0.03796 0.01445 3 3S 0.02314 1.91928 0.06080 -0.56842 0.09029 4 4PX 0.00743 -0.00550 0.00102 -0.00600 -0.04141 5 4PY 0.00504 -0.00022 -0.00253 0.01174 -0.01386 6 4PZ 0.00768 0.02630 -0.00187 0.00440 -0.01267 7 5PX -0.05995 0.05472 0.02107 0.01798 0.23163 8 5PY -0.04752 -0.01023 0.01341 -0.01802 0.05401 9 5PZ -0.04073 -0.28135 0.00860 0.04493 0.05851 10 6PX 0.72264 -0.20434 0.71051 1.22052 7.06192 11 6PY 0.25742 0.24026 0.57206 -1.87419 1.34855 12 6PZ -0.06187 0.15484 0.32776 -0.19085 1.52639 13 7D 0 0.02786 0.00096 0.00933 0.01193 -0.01048 14 7D+1 0.04247 -0.00291 0.04188 -0.00374 -0.01975 15 7D-1 0.03814 0.00793 -0.00531 0.03727 -0.01295 16 7D+2 0.00170 0.01373 0.00001 0.02930 0.02019 17 7D-2 -0.03523 0.00366 -0.03045 -0.00565 -0.03948 18 8D 0 0.00640 0.00061 0.00384 0.00661 -0.00326 19 8D+1 0.01075 -0.00207 0.01693 -0.00182 -0.00705 20 8D-1 0.01023 0.00567 -0.00179 0.01484 -0.00478 21 8D+2 0.00070 0.00163 -0.00008 0.01088 0.00596 22 8D-2 -0.00670 -0.00084 -0.01214 -0.00262 -0.01207 23 2 Cu 1S -0.00072 0.00091 -0.00019 0.00125 -0.00013 24 2S -0.01523 0.01907 -0.00957 0.06573 -0.01376 25 3S 0.28028 0.95070 -0.03579 0.39449 -0.13348 26 4PX 0.00361 0.00179 0.00386 0.00626 0.02068 27 4PY 0.00771 -0.00178 0.00120 -0.00194 0.00698 28 4PZ -0.01080 -0.01402 0.00393 -0.01695 0.00679 29 5PX -0.03381 0.01953 0.01217 -0.03965 -0.01200 30 5PY -0.05667 -0.03436 -0.01408 0.11593 -0.04547 31 5PZ 0.03521 -0.04173 -0.01625 0.10197 -0.02806 32 6PX -0.66750 -0.11135 0.01883 -0.04870 -2.18606 33 6PY -0.07796 0.40423 0.00412 0.45416 -0.15518 34 6PZ 0.20864 0.48627 0.15612 -1.11890 -0.34655 35 7D 0 -0.01628 0.01435 0.01410 0.00022 -0.00143 36 7D+1 0.00085 0.00710 0.03970 0.00622 -0.00354 37 7D-1 -0.01263 -0.03228 0.00700 -0.01176 0.00168 38 7D+2 0.01192 0.02374 -0.00156 -0.01667 -0.00249 39 7D-2 0.01677 0.01342 -0.01361 -0.00469 0.00337 40 8D 0 -0.00189 -0.00027 0.00492 -0.00250 0.00017 41 8D+1 0.00226 0.00191 0.01367 0.00252 0.00055 42 8D-1 -0.00263 -0.00624 0.00258 -0.00282 0.00182 43 8D+2 0.00092 0.00301 -0.00062 -0.00701 -0.00176 44 8D-2 0.00124 0.00222 -0.00360 -0.00181 0.00422 45 3 Cu 1S -0.00214 0.00058 -0.00089 0.00132 0.00102 46 2S -0.02219 -0.08732 0.18474 -0.06127 -0.05110 47 3S -0.15012 -1.39663 2.42213 -0.82291 -1.09603 48 4PX 0.00511 0.04080 -0.00614 -0.00449 0.00830 49 4PY -0.02761 -0.01493 -0.00286 -0.00437 -0.01097 50 4PZ -0.01887 0.00496 -0.00112 -0.00357 -0.00569 51 5PX -0.04911 -0.12819 -0.09674 0.04418 0.02309 52 5PY 0.12572 0.10086 -0.01666 -0.02582 0.07207 53 5PZ 0.09436 -0.13266 0.09280 -0.01925 0.05380 54 6PX -0.36050 -0.24177 -0.90475 0.19458 -0.69733 55 6PY 0.24344 -0.03670 -0.35479 0.26198 -0.84329 56 6PZ 0.41839 -0.70132 0.73126 -0.64636 -1.49570 57 7D 0 0.00467 -0.02735 -0.00115 0.01178 -0.01384 58 7D+1 -0.02940 0.02267 0.00863 0.01817 0.00925 59 7D-1 -0.01385 0.01508 -0.01165 -0.00456 -0.03062 60 7D+2 0.00169 -0.01778 0.02232 0.02173 -0.00675 61 7D-2 -0.01178 0.01985 0.00831 0.03029 0.00444 62 8D 0 0.00041 -0.00519 -0.00139 0.00349 0.00034 63 8D+1 -0.00477 0.01145 0.00296 0.00425 0.00165 64 8D-1 -0.00283 0.00406 -0.00736 0.00186 -0.00721 65 8D+2 0.00222 -0.00404 0.01117 0.00830 -0.00354 66 8D-2 -0.00019 0.00533 0.00052 0.01030 -0.00298 67 4 Cu 1S 0.00522 0.00026 0.00051 0.00099 -0.00124 68 2S 0.05083 -0.09027 -0.16109 -0.10457 0.06900 69 3S 0.31335 -1.40328 -2.12014 -1.35026 1.28692 70 4PX 0.00082 -0.03105 -0.00773 0.00501 0.00243 71 4PY 0.00919 -0.03164 0.00193 -0.00076 0.01496 72 4PZ 0.03214 -0.01020 -0.00046 -0.00255 0.01321 73 5PX -0.03191 0.12194 -0.05238 -0.02828 0.05872 74 5PY -0.06365 0.16410 -0.00181 -0.04277 -0.04993 75 5PZ -0.18331 -0.07403 -0.10829 -0.06296 -0.04993 76 6PX -0.46109 0.47701 -0.59814 -0.48446 -1.30661 77 6PY -0.59921 0.21959 -0.06601 0.25747 0.46202 78 6PZ -1.10592 -0.49550 -0.73028 -0.64303 1.36326 79 7D 0 -0.04917 -0.03332 0.00285 0.00774 0.01658 80 7D+1 -0.02776 -0.00467 -0.00347 -0.00736 -0.00472 81 7D-1 -0.02826 0.00254 0.01588 -0.00613 0.02725 82 7D+2 -0.00539 0.00354 -0.02948 0.03335 0.00323 83 7D-2 -0.00429 -0.02513 -0.01284 -0.00691 -0.00553 84 8D 0 -0.01002 -0.01052 0.00101 0.00194 0.00109 85 8D+1 -0.00664 -0.00589 -0.00303 -0.00157 0.00235 86 8D-1 -0.00611 -0.00119 0.00605 0.00142 0.00557 87 8D+2 -0.00155 0.00364 -0.01117 0.01243 0.00315 88 8D-2 -0.00238 -0.00530 -0.00821 -0.00457 -0.00184 89 5 Cu 1S 0.00102 0.00192 0.00045 -0.00072 0.00337 90 2S -0.00412 0.04264 -0.11974 -0.01392 -0.04123 91 3S -0.17519 0.26675 -1.57560 -0.21922 -1.53408 92 4PX -0.01453 -0.00166 -0.00245 0.00910 0.01436 93 4PY 0.00214 0.01045 -0.00739 0.00628 -0.02545 94 4PZ 0.01227 -0.01501 0.01176 0.00172 -0.01243 95 5PX 0.07560 0.06114 0.07049 -0.04700 -0.02769 96 5PY -0.01384 -0.04807 0.00312 0.00141 0.12974 97 5PZ -0.06019 0.04286 0.04510 -0.02926 0.09747 98 6PX 0.44965 0.72444 0.65130 0.12477 0.75565 99 6PY -0.46717 0.13451 -0.46537 0.05527 -1.90172 100 6PZ -0.54167 -0.36013 0.51572 -0.03493 -1.80422 101 7D 0 0.03224 0.04788 -0.02589 0.00309 0.02637 102 7D+1 -0.00148 -0.03166 -0.01420 -0.00018 0.01838 103 7D-1 0.02848 -0.01192 0.01912 -0.01243 -0.00080 104 7D+2 0.00027 -0.02317 0.00265 -0.01100 0.00144 105 7D-2 -0.00711 0.01474 0.01475 -0.01402 0.04405 106 8D 0 0.00414 0.01310 -0.00800 0.00211 0.00494 107 8D+1 -0.00051 -0.00568 -0.00976 -0.00014 0.00068 108 8D-1 0.00416 -0.00441 0.00656 -0.00464 -0.00033 109 8D+2 0.00059 -0.00505 -0.00151 -0.00277 -0.00049 110 8D-2 -0.00060 0.00395 0.00463 -0.00554 0.00794 111 6 Cu 1S -0.00302 -0.00244 0.00041 -0.00134 0.00025 112 2S -0.02203 -0.02284 -0.02931 0.21592 -0.01275 113 3S -0.08431 -0.47736 -0.40550 3.07108 -0.17222 114 4PX -0.03165 -0.00573 -0.01265 0.00098 -0.01597 115 4PY 0.00330 0.04072 -0.00058 -0.01531 -0.00239 116 4PZ -0.02533 0.00041 -0.00105 -0.00029 -0.00509 117 5PX 0.12854 0.03230 -0.02463 -0.01018 0.08086 118 5PY -0.03154 -0.16058 0.00920 -0.07826 0.02856 119 5PZ 0.13723 -0.05876 -0.01600 0.08178 0.02311 120 6PX 0.60277 0.17982 -0.40652 -0.52336 -0.24118 121 6PY -0.34765 -0.67388 -0.14868 0.00549 -0.01157 122 6PZ 0.47157 -0.26053 -0.44943 1.78285 -0.22809 123 7D 0 0.00996 -0.02789 -0.00359 0.01175 -0.01774 124 7D+1 0.00011 0.01101 -0.00255 -0.01131 -0.03965 125 7D-1 -0.02886 0.00466 0.01004 0.00143 -0.00334 126 7D+2 -0.00410 0.02495 -0.01476 -0.01664 0.00396 127 7D-2 -0.00213 0.00855 0.04606 0.00191 0.01497 128 8D 0 0.00296 -0.00452 -0.00049 0.00337 -0.00363 129 8D+1 -0.00043 0.00128 -0.00044 -0.00538 -0.00828 130 8D-1 -0.00455 0.00620 0.00317 0.00028 -0.00113 131 8D+2 -0.00224 0.00775 -0.00423 -0.01243 0.00192 132 8D-2 0.00282 0.00151 0.01595 -0.00242 0.00208 133 7 Cu 1S -0.00116 0.00207 -0.00003 -0.00149 -0.00319 134 2S -0.01210 0.04617 0.11597 0.02866 0.03468 135 3S -0.02573 0.26221 1.54004 0.52520 1.37800 136 4PX -0.01283 0.00576 0.00263 -0.01105 0.00323 137 4PY -0.01326 0.01190 0.00635 0.00875 0.03102 138 4PZ -0.03929 -0.01259 -0.01048 -0.00154 0.01564 139 5PX 0.04169 -0.06494 0.06193 0.08527 0.03329 140 5PY 0.07826 -0.07599 0.01676 0.01532 -0.14089 141 5PZ 0.18915 0.01175 -0.01964 -0.03762 -0.08838 142 6PX 0.10992 -0.56784 0.64133 0.00266 -0.44681 143 6PY 0.84668 -0.17389 0.52742 0.44022 1.58249 144 6PZ 1.21411 -0.68973 -0.34308 0.07005 1.61463 145 7D 0 -0.02663 0.05910 0.01251 0.00483 -0.01983 146 7D+1 0.01310 -0.00715 -0.02119 -0.00786 0.01407 147 7D-1 0.00686 -0.01108 -0.01954 -0.01119 0.01800 148 7D+2 -0.00610 -0.01390 -0.00039 -0.02359 -0.02408 149 7D-2 0.01770 -0.02618 0.01254 0.01430 0.01849 150 8D 0 -0.00239 0.01452 0.00128 0.00161 -0.00556 151 8D+1 -0.00013 -0.00304 -0.00921 -0.00418 0.00120 152 8D-1 -0.00167 -0.00504 -0.00727 -0.00475 0.00339 153 8D+2 -0.00147 -0.00195 0.00261 -0.00621 -0.00267 154 8D-2 0.00234 -0.00548 0.00673 0.00683 0.00439 155 8 Cu 1S 0.00044 0.00290 0.00039 -0.00228 0.00001 156 2S -0.00283 0.04251 0.01080 -0.09358 -0.00387 157 3S -0.13509 0.15920 0.08010 -0.86273 0.12789 158 4PX 0.00189 0.00090 -0.00597 -0.00552 -0.03354 159 4PY -0.01422 -0.00921 0.00102 -0.00746 -0.00243 160 4PZ 0.01792 -0.01040 -0.00566 0.01966 -0.00711 161 5PX -0.02254 -0.01265 0.03409 -0.00326 0.15261 162 5PY 0.06868 0.09238 -0.00675 0.05779 -0.00751 163 5PZ -0.06600 0.04938 0.01920 -0.00185 0.02556 164 6PX -0.45432 0.00842 0.08910 -0.32626 -1.28002 165 6PY 0.37966 0.68389 0.08699 -0.25895 -0.16604 166 6PZ -0.49006 -0.27345 -0.21904 1.36258 -0.31765 167 7D 0 0.03074 0.02793 0.00747 -0.05621 0.00765 168 7D+1 0.03592 -0.00060 -0.00748 0.02066 0.00287 169 7D-1 -0.00382 -0.04072 0.00265 -0.00609 0.01134 170 7D+2 -0.00188 0.01830 0.00187 -0.01483 -0.01785 171 7D-2 -0.00657 0.01655 0.00517 0.00034 0.04505 172 8D 0 0.00195 0.00706 0.00184 -0.01620 0.00187 173 8D+1 0.00570 -0.00003 -0.00199 0.00810 0.00162 174 8D-1 -0.00214 -0.01016 0.00120 -0.00632 0.00306 175 8D+2 -0.00100 0.00399 0.00005 -0.00119 -0.00484 176 8D-2 -0.00018 0.00386 0.00112 0.00268 0.00931 177 9 C 1S -0.00510 -0.00630 -0.00070 0.00554 -0.00045 178 2S 0.01802 0.02993 0.00188 -0.01579 0.00161 179 3S 0.02491 0.00676 0.00448 -0.01551 0.00445 180 4PX -0.00754 -0.00878 -0.00302 -0.00353 -0.01812 181 4PY 0.03333 0.03509 0.00401 -0.03711 0.00063 182 4PZ -0.03792 -0.01881 -0.00615 0.05584 -0.00164 183 5PX 0.01267 0.01254 -0.00605 -0.00977 -0.01568 184 5PY 0.00564 -0.06104 -0.00447 -0.00255 -0.01907 185 5PZ -0.04508 -0.03643 -0.00697 0.05071 -0.00624 186 10 O 1S -0.00280 -0.00397 -0.00025 -0.00099 -0.00209 187 2S 0.00849 0.01452 0.00088 0.00288 0.00651 188 3S 0.01119 0.00180 -0.00020 0.00817 0.00729 189 4PX 0.00033 0.00246 -0.00617 -0.00835 -0.03764 190 4PY -0.01621 -0.02366 -0.00104 -0.00223 -0.00886 191 4PZ 0.01453 0.01863 -0.00548 0.02395 -0.01043 192 5PX 0.00082 0.00430 0.00077 -0.00038 0.00251 193 5PY -0.01534 -0.01715 -0.00157 0.00648 -0.00348 194 5PZ 0.01552 0.00572 -0.00027 -0.00699 -0.00270 106 107 108 109 110 V V V V V EIGENVALUES -- 0.05397 0.05606 0.06870 0.06988 0.07691 1 1 Cu 1S 0.00472 -0.00156 -0.00052 -0.00014 0.00299 2 2S 0.11512 0.00423 -0.00017 0.01040 0.08468 3 3S 1.08204 0.28469 -0.03218 0.09604 1.06343 4 4PX 0.01718 0.00279 0.06361 -0.03240 0.00356 5 4PY -0.02175 -0.04208 -0.02858 -0.05128 0.03596 6 4PZ -0.02486 0.04101 -0.00830 -0.02867 -0.03817 7 5PX -0.11028 -0.03311 -0.45447 0.24067 -0.03122 8 5PY 0.14381 0.25111 0.18615 0.35485 -0.28415 9 5PZ 0.11339 -0.20435 0.06152 0.20833 0.24346 10 6PX -1.66115 -0.28484 1.72791 -1.54006 -0.85020 11 6PY 1.74533 3.85265 0.31149 0.84385 4.52692 12 6PZ 2.51507 -2.57848 -0.04400 -0.39691 0.58643 13 7D 0 -0.03134 0.01125 0.00374 0.01946 0.04081 14 7D+1 0.00495 -0.00672 -0.02195 0.02246 -0.01692 15 7D-1 0.02968 0.00035 -0.01223 0.01340 -0.02067 16 7D+2 -0.00277 -0.01027 0.04863 0.00823 -0.02896 17 7D-2 -0.00301 -0.00458 -0.02981 0.04934 -0.01091 18 8D 0 -0.00626 0.00431 0.00023 0.00147 0.00484 19 8D+1 0.00052 -0.00249 -0.00042 0.00257 -0.00338 20 8D-1 0.00542 -0.00045 -0.00341 0.00025 0.00092 21 8D+2 -0.00562 -0.00589 0.00808 0.00161 -0.00759 22 8D-2 -0.00172 -0.00230 -0.00457 0.00836 -0.00259 23 2 Cu 1S -0.00330 -0.00003 0.00250 0.00250 0.00078 24 2S -0.09784 -0.02942 0.05216 0.05164 -0.00677 25 3S 0.08910 0.33204 0.36425 0.58464 0.56855 26 4PX -0.00368 -0.00301 0.03917 -0.04528 0.00315 27 4PY 0.01631 0.00628 0.02265 0.00991 -0.00859 28 4PZ 0.00557 0.01942 0.00850 -0.00529 0.00110 29 5PX 0.01709 0.02710 -0.31120 0.33429 -0.01500 30 5PY -0.15213 -0.05907 -0.11865 -0.01926 -0.02284 31 5PZ -0.06065 -0.16947 -0.07016 0.03172 -0.00271 32 6PX -0.25579 -0.26442 -1.07608 0.05004 -1.04335 33 6PY 1.95167 0.82571 -1.02051 -0.69349 -0.24762 34 6PZ -0.19203 0.45817 1.92289 2.67105 2.16507 35 7D 0 0.00491 0.03325 -0.02351 -0.03306 0.00738 36 7D+1 0.00244 -0.01442 0.00970 -0.01527 0.00150 37 7D-1 -0.01863 0.01325 0.04740 0.02834 -0.04026 38 7D+2 0.00503 -0.01036 -0.05433 -0.02066 0.01376 39 7D-2 0.00909 -0.00488 0.02359 -0.06272 0.01730 40 8D 0 -0.00184 0.00770 -0.00643 -0.00864 0.00159 41 8D+1 -0.00006 -0.00429 -0.00007 -0.00437 0.00200 42 8D-1 0.00093 0.00402 0.01232 0.00966 -0.00910 43 8D+2 0.00013 -0.00591 -0.01686 -0.01190 0.00478 44 8D-2 -0.00008 -0.00289 0.00116 -0.01530 0.00400 45 3 Cu 1S -0.00010 0.00057 -0.00370 -0.00116 -0.00210 46 2S 0.03312 -0.01887 0.00425 -0.03192 -0.01539 47 3S 0.48385 -0.25121 0.84920 -0.16395 0.02216 48 4PX -0.01055 -0.00597 -0.01303 0.00469 -0.05848 49 4PY -0.00706 0.00327 -0.00307 0.02714 0.01214 50 4PZ 0.01605 -0.03125 0.05531 -0.00689 -0.01197 51 5PX 0.02912 0.00751 -0.03936 0.03219 0.33540 52 5PY 0.07292 0.02569 -0.01269 -0.14407 -0.11028 53 5PZ -0.08598 0.12939 -0.28747 0.04991 0.09446 54 6PX 0.43013 1.20787 -1.26427 0.22906 0.00465 55 6PY -0.46308 -0.90848 -0.98817 -0.52560 -0.95021 56 6PZ 0.95187 -0.11706 -0.97744 -0.21627 0.65979 57 7D 0 0.01320 -0.00934 0.02334 -0.01751 -0.03430 58 7D+1 0.00058 0.02412 -0.01088 -0.00980 -0.00285 59 7D-1 -0.01177 -0.01359 -0.02551 -0.00739 0.01832 60 7D+2 -0.01515 -0.00458 -0.00268 0.02068 0.01793 61 7D-2 0.02665 0.01456 0.00249 0.00629 -0.01654 62 8D 0 0.00110 -0.00249 0.00620 -0.00130 -0.00686 63 8D+1 -0.00189 0.00308 -0.00637 -0.00266 -0.00020 64 8D-1 -0.00481 -0.00250 -0.00647 -0.00024 0.00157 65 8D+2 -0.00045 -0.00035 0.00134 0.00335 0.00687 66 8D-2 0.00307 0.00259 -0.00047 -0.00036 -0.00471 67 4 Cu 1S 0.00014 0.00047 -0.00067 -0.00409 -0.00200 68 2S 0.02660 -0.02379 -0.03246 -0.00469 -0.01633 69 3S 0.24279 -0.36027 -0.29751 0.74698 -0.09661 70 4PX 0.00520 0.01410 -0.01183 -0.00475 0.04728 71 4PY -0.00404 0.00762 0.01966 -0.00259 0.03632 72 4PZ 0.01323 -0.03013 -0.01585 0.05396 0.00378 73 5PX -0.04432 -0.06665 -0.00646 0.11620 -0.28767 74 5PY 0.05575 0.00974 -0.12608 0.02386 -0.24744 75 5PZ -0.06603 0.12450 0.07442 -0.25091 0.01197 76 6PX -0.13824 -0.65223 -0.19223 1.68524 1.70225 77 6PY -0.75820 -1.30297 0.26034 -0.38228 -2.20328 78 6PZ 0.48415 -0.46574 -0.30298 -0.44032 0.45609 79 7D 0 0.00557 -0.02048 -0.00930 0.02509 -0.02926 80 7D+1 -0.00052 -0.00531 0.02459 0.00645 0.02433 81 7D-1 -0.02975 -0.02318 0.00398 -0.02498 0.02088 82 7D+2 0.00869 0.01121 0.00867 -0.00405 0.01648 83 7D-2 -0.02303 -0.00492 0.01113 0.00459 0.01613 84 8D 0 0.00179 -0.00392 -0.00035 0.00895 -0.00526 85 8D+1 0.00209 0.00012 0.00284 0.00405 0.00441 86 8D-1 -0.00663 -0.00370 0.00169 -0.00481 0.00319 87 8D+2 0.00036 0.00173 0.00061 -0.00125 0.00243 88 8D-2 -0.00060 -0.00086 0.00175 0.00288 0.00744 89 5 Cu 1S -0.00052 -0.00021 -0.00212 -0.00065 0.00045 90 2S -0.01871 0.05311 0.00029 -0.03694 -0.01926 91 3S -0.15219 0.96292 0.83040 -0.48730 -0.39416 92 4PX -0.00782 -0.02571 -0.06248 0.03584 0.01939 93 4PY 0.00964 -0.00075 0.02065 0.01380 -0.03100 94 4PZ -0.00639 0.01737 -0.03314 0.02258 0.02589 95 5PX 0.01950 0.11589 0.24220 -0.18226 -0.06782 96 5PY -0.04003 0.01272 -0.14204 -0.07674 0.17786 97 5PZ 0.03020 -0.15039 0.13657 -0.08962 -0.12520 98 6PX 0.12732 -1.28774 0.06533 0.60202 0.50344 99 6PY -1.11689 -0.71883 0.73141 1.19419 -0.62501 100 6PZ -0.35634 1.33884 -1.49607 0.09126 0.27904 101 7D 0 -0.00327 -0.02737 0.01360 0.01199 0.00051 102 7D+1 0.03708 -0.01696 0.02166 -0.00297 0.01443 103 7D-1 0.01125 0.02153 -0.01412 -0.02208 0.00377 104 7D+2 -0.01832 0.03052 0.01513 0.02287 -0.01800 105 7D-2 0.03656 0.01992 -0.01713 -0.00029 0.00265 106 8D 0 0.00028 -0.00533 -0.00315 0.00081 -0.00173 107 8D+1 0.00743 -0.00020 0.01050 -0.00355 0.00187 108 8D-1 0.00061 0.00363 -0.00048 -0.00652 0.00309 109 8D+2 0.00171 0.00881 0.00744 0.00331 -0.00516 110 8D-2 0.00413 0.00333 -0.00608 0.00034 0.00268 111 6 Cu 1S -0.00021 0.00123 0.00082 0.00102 -0.00180 112 2S 0.01990 0.00605 0.02710 0.03727 0.02673 113 3S 0.39232 -0.36704 0.22237 0.32046 0.68516 114 4PX 0.00086 0.00598 -0.00284 0.01443 0.01131 115 4PY 0.00793 0.01475 -0.00549 -0.00393 -0.06315 116 4PZ -0.00447 -0.04466 -0.02348 -0.02234 0.01853 117 5PX -0.02871 -0.04253 -0.02200 -0.06843 -0.06580 118 5PY 0.02751 -0.03612 0.04281 0.04762 0.31431 119 5PZ 0.06091 0.24298 0.13617 0.15042 -0.03485 120 6PX 0.42344 0.12752 -0.26561 0.14542 -0.06209 121 6PY -0.72103 0.19543 0.81961 0.67403 -2.92191 122 6PZ -1.13518 -1.43124 0.77061 0.47633 -2.53058 123 7D 0 0.00013 -0.01059 -0.01423 -0.02427 -0.02196 124 7D+1 0.00526 -0.00380 0.01710 -0.01098 -0.00220 125 7D-1 0.01761 0.04931 0.00977 0.01290 0.01843 126 7D+2 0.01210 0.00709 -0.00293 -0.00397 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-0.02634 0.03329 0.00720 -0.01966 -0.00691 147 7D-1 -0.02011 0.02403 -0.01273 -0.01576 -0.01310 148 7D+2 0.02922 0.03189 0.01269 0.01395 -0.01172 149 7D-2 -0.03965 -0.00642 0.01771 0.02700 -0.00912 150 8D 0 -0.00177 -0.00267 0.00485 -0.00692 -0.00239 151 8D+1 -0.00343 0.00525 0.00461 -0.00452 -0.00061 152 8D-1 -0.00363 0.00363 -0.00424 -0.00099 -0.00038 153 8D+2 0.00661 0.00851 0.00024 0.00570 -0.00150 154 8D-2 -0.00321 0.00099 0.00155 0.00986 -0.00685 155 8 Cu 1S 0.00108 0.00161 0.00005 0.00085 -0.00020 156 2S -0.07815 -0.01877 -0.05035 -0.06204 -0.04553 157 3S -1.37324 -0.99664 -1.19197 -1.67473 -1.04228 158 4PX -0.00570 -0.00975 -0.02929 -0.00333 -0.00384 159 4PY 0.03089 0.01868 0.04414 0.05394 -0.00956 160 4PZ 0.00645 0.02495 0.01840 0.02656 0.00636 161 5PX 0.00888 0.02865 0.14321 -0.01253 0.00692 162 5PY -0.10654 -0.02553 -0.19745 -0.23696 0.07236 163 5PZ 0.01866 -0.11014 -0.05675 -0.09102 0.00683 164 6PX -0.10553 -0.17318 -0.20721 -0.34138 0.30745 165 6PY 1.62636 -0.00643 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0.08897 0.76092 0.49351 0.63221 0.33281 70 4PX 0.02074 -0.01072 0.01626 -0.01498 -0.01307 71 4PY 0.00284 0.01124 0.00437 -0.00704 0.00369 72 4PZ 0.00255 -0.00159 0.02712 -0.00995 -0.02114 73 5PX -0.09688 0.12014 -0.08855 0.06811 0.06339 74 5PY -0.03857 -0.05924 -0.04026 0.02299 -0.01975 75 5PZ -0.02739 0.02246 -0.14977 0.06946 0.12599 76 6PX -2.89777 0.90435 1.88748 4.65656 1.34391 77 6PY 1.63447 -5.12386 5.25400 2.46713 2.51973 78 6PZ 0.40626 -0.18714 -1.89141 -3.52396 -1.85632 79 7D 0 -0.00840 -0.00636 -0.02581 -0.02246 -0.01469 80 7D+1 -0.00594 0.00234 0.00976 0.00010 0.00809 81 7D-1 0.01932 -0.00670 0.02105 0.01501 0.01584 82 7D+2 -0.02190 0.01668 0.01446 0.02165 -0.01959 83 7D-2 0.00287 -0.01248 0.03210 -0.00432 0.00811 84 8D 0 -0.00216 -0.00164 -0.00408 -0.00061 -0.00065 85 8D+1 0.00112 0.00217 0.00383 -0.00190 -0.00034 86 8D-1 0.00317 0.00209 0.00309 0.00074 0.00353 87 8D+2 -0.00015 0.00349 0.00159 0.00287 -0.00179 88 8D-2 0.00091 -0.00062 0.00416 -0.00095 0.00283 89 5 Cu 1S 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-4.79099 -1.34640 1.15555 12 6PZ 3.63674 4.03320 6.31870 -1.02293 0.91948 13 7D 0 -0.01401 -0.00597 -0.00821 -0.00453 -0.00298 14 7D+1 0.00665 0.01141 0.00338 -0.01364 -0.00725 15 7D-1 -0.01136 -0.04355 0.01889 -0.00482 -0.00774 16 7D+2 0.00543 0.00569 0.03284 0.00821 0.01392 17 7D-2 0.00246 0.00271 0.00440 -0.03255 -0.04080 18 8D 0 -0.00025 -0.00089 0.00617 -0.00128 0.00057 19 8D+1 0.00216 0.00398 0.00030 -0.00049 0.00219 20 8D-1 -0.00677 -0.01056 0.00022 0.00065 -0.00024 21 8D+2 0.00427 0.00154 0.01126 0.00121 0.00249 22 8D-2 0.00283 0.00213 0.00329 -0.00653 -0.00831 23 2 Cu 1S -0.00068 0.00488 0.00034 -0.00130 -0.00081 24 2S 0.01122 0.15095 0.03941 -0.04019 -0.01614 25 3S 0.03905 3.89537 -0.03759 -0.77893 -0.18741 26 4PX -0.00843 -0.00857 -0.00330 -0.05202 -0.00238 27 4PY -0.02843 -0.00096 0.01090 -0.01209 -0.00162 28 4PZ 0.05985 -0.00373 -0.03070 -0.00678 -0.00285 29 5PX 0.03170 0.00629 -0.01838 0.30497 0.02871 30 5PY 0.27717 0.17752 0.06172 0.00659 -0.01100 31 5PZ -0.36294 0.05752 0.26003 0.01380 0.01217 32 6PX -0.04850 -0.79749 -0.08368 -0.23655 -1.07308 33 6PY -0.57130 0.89532 -0.85034 -0.02328 -0.04473 34 6PZ -1.15546 1.11023 -0.73508 -0.08831 -0.07965 35 7D 0 0.00102 0.00749 0.01306 -0.00946 0.02042 36 7D+1 -0.00298 -0.02295 -0.01401 -0.02220 0.06180 37 7D-1 0.03279 0.02581 0.00302 -0.01100 0.00393 38 7D+2 0.01019 -0.04967 -0.03650 0.01714 -0.00083 39 7D-2 -0.00296 -0.02100 -0.01337 0.02199 -0.00842 40 8D 0 0.00075 -0.00558 0.00308 -0.00123 0.00503 41 8D+1 -0.00034 -0.00470 -0.00348 -0.00627 0.01481 42 8D-1 0.00851 0.00893 -0.00015 -0.00397 0.00018 43 8D+2 0.00752 -0.01678 -0.00914 0.00621 0.00087 44 8D-2 0.00122 -0.00754 -0.00321 0.00507 -0.00351 45 3 Cu 1S 0.00042 -0.00157 -0.00020 -0.00140 -0.00273 46 2S -0.04286 -0.07029 0.00546 -0.01353 -0.03228 47 3S -0.73087 -0.43985 0.38812 -0.49369 -0.68467 48 4PX 0.02902 0.01157 -0.02188 0.01085 -0.01769 49 4PY 0.05440 -0.00659 -0.02110 0.00667 0.04899 50 4PZ 0.00823 -0.00527 -0.02388 0.02243 -0.01187 51 5PX -0.18863 -0.08935 0.12063 -0.07861 0.13486 52 5PY -0.38054 0.05819 0.15214 -0.08187 -0.39096 53 5PZ -0.07414 -0.00571 0.22177 -0.16066 0.07248 54 6PX 0.48953 1.93302 -2.42751 0.01871 -1.29958 55 6PY 0.68753 -2.99131 0.90473 0.25313 0.74132 56 6PZ 1.08299 1.47657 -0.41661 0.07638 -1.74913 57 7D 0 0.02109 0.03469 -0.01037 0.03161 -0.00346 58 7D+1 -0.00827 -0.00803 0.00248 0.01921 -0.03362 59 7D-1 0.00577 0.02300 0.01557 0.01037 0.00910 60 7D+2 0.01548 0.03712 0.00014 0.02822 -0.03622 61 7D-2 -0.03480 0.01798 0.02353 0.00758 0.00931 62 8D 0 0.00422 0.00709 -0.00107 0.00750 -0.00101 63 8D+1 -0.00165 -0.00339 0.00086 0.00601 -0.00997 64 8D-1 0.00040 0.00744 0.00388 0.00354 0.00234 65 8D+2 0.00178 0.00938 0.00106 0.00869 -0.01119 66 8D-2 -0.01127 0.00373 0.00686 0.00286 0.00329 67 4 Cu 1S 0.00082 -0.00052 0.00050 0.00248 0.00341 68 2S -0.03680 -0.05188 0.01565 0.04007 0.04460 69 3S -0.64514 -0.31517 0.59439 0.51023 0.74850 70 4PX -0.04566 -0.00181 0.03837 0.01468 -0.00297 71 4PY 0.03664 -0.00925 -0.01287 0.00062 -0.05827 72 4PZ -0.00527 -0.01097 -0.01626 -0.01564 0.00707 73 5PX 0.30832 0.02048 -0.26508 -0.12961 0.00316 74 5PY -0.26016 0.07814 0.11102 0.01551 0.46189 75 5PZ 0.01957 0.03406 0.17772 0.10253 -0.03738 76 6PX -0.97590 -0.84036 1.97276 0.15182 -1.41353 77 6PY 1.11825 -3.41330 2.24104 0.42598 -1.47322 78 6PZ 0.51266 0.79170 0.11313 -0.51544 1.26319 79 7D 0 0.01672 0.02419 -0.01851 -0.02620 -0.01577 80 7D+1 -0.00872 -0.00083 0.00855 0.02448 -0.01503 81 7D-1 0.01690 0.01394 0.00484 -0.00963 -0.01040 82 7D+2 -0.01313 0.03104 0.00744 -0.05215 0.02238 83 7D-2 0.03342 0.00194 -0.02255 -0.01400 0.03174 84 8D 0 0.00339 0.00529 -0.00282 -0.00596 -0.00443 85 8D+1 -0.00269 0.00051 0.00146 0.00575 -0.00473 86 8D-1 0.00346 0.00484 0.00074 -0.00391 -0.00248 87 8D+2 -0.00642 0.00652 0.00299 -0.01455 0.00757 88 8D-2 0.00925 0.00034 -0.00569 -0.00336 0.01099 89 5 Cu 1S 0.00093 -0.00270 -0.00132 -0.00045 -0.00236 90 2S 0.01100 -0.03316 -0.03810 -0.03161 -0.04116 91 3S 0.39987 1.16872 -0.36779 -1.21411 -1.12247 92 4PX -0.01542 -0.00682 -0.00606 0.01103 -0.04019 93 4PY -0.00711 0.03033 0.02622 0.06463 -0.02296 94 4PZ -0.01151 0.01874 0.03974 -0.00601 0.04546 95 5PX 0.08461 -0.02926 -0.00938 -0.06238 0.34510 96 5PY 0.05439 -0.17946 -0.17383 -0.50329 0.17695 97 5PZ 0.05965 -0.16111 -0.29421 0.04508 -0.35460 98 6PX -0.42741 -1.14448 1.48632 0.08201 0.11456 99 6PY -0.36449 -1.21758 1.07453 0.87849 -1.36404 100 6PZ -0.63783 0.96557 -1.81865 -0.24250 -0.63135 101 7D 0 -0.02484 0.00709 -0.00527 0.00078 -0.01259 102 7D+1 -0.00239 -0.01195 0.01319 -0.00354 0.00071 103 7D-1 -0.02404 -0.03939 0.00660 -0.02045 -0.01660 104 7D+2 -0.01219 0.03659 0.00830 0.00225 0.00195 105 7D-2 0.01082 -0.00476 -0.02108 -0.01634 -0.01109 106 8D 0 -0.00511 0.00120 -0.00521 0.00023 -0.00599 107 8D+1 -0.00273 -0.00293 -0.00068 -0.00131 -0.00217 108 8D-1 -0.00427 -0.00760 0.00315 -0.00429 0.00010 109 8D+2 -0.00224 0.00602 0.00429 -0.00223 0.00079 110 8D-2 0.00101 -0.00724 -0.00752 -0.00525 -0.00319 111 6 Cu 1S 0.00154 0.00271 -0.00018 -0.00052 -0.00042 112 2S 0.04338 0.03103 -0.01651 -0.00495 -0.00650 113 3S 0.71780 -0.30964 0.06374 0.07801 -0.04871 114 4PX 0.00955 -0.01829 -0.00232 -0.04388 0.05915 115 4PY -0.03219 0.01954 0.02560 -0.01421 0.01194 116 4PZ -0.02128 0.03330 -0.03913 -0.00601 0.01253 117 5PX -0.05612 0.10554 0.01728 0.34340 -0.44223 118 5PY 0.17320 -0.13897 -0.19351 0.10357 -0.09127 119 5PZ 0.14475 -0.13103 0.30708 0.03005 -0.09961 120 6PX 1.50678 1.98318 0.30831 -1.03592 0.55023 121 6PY -3.60350 -5.47484 -0.45353 1.07413 0.35548 122 6PZ -1.91476 -4.84251 0.59547 0.78455 0.07730 123 7D 0 -0.03942 -0.00299 -0.01486 -0.00146 -0.01058 124 7D+1 0.01462 -0.01625 0.00468 -0.01881 -0.03459 125 7D-1 -0.00259 0.02213 -0.01199 -0.01335 -0.02261 126 7D+2 0.00740 -0.03052 -0.00391 0.02309 0.03019 127 7D-2 -0.00087 -0.02402 -0.00476 -0.02096 -0.04810 128 8D 0 -0.00775 0.00536 -0.00362 -0.00178 -0.00260 129 8D+1 0.00249 -0.00605 0.00054 -0.00475 -0.00760 130 8D-1 0.00075 0.00682 -0.00210 -0.00389 -0.00687 131 8D+2 0.00227 -0.00468 -0.00164 0.00425 0.00844 132 8D-2 -0.00003 -0.00488 -0.00107 -0.00362 -0.01524 133 7 Cu 1S 0.00136 -0.00210 -0.00087 0.00228 0.00296 134 2S 0.01595 -0.02848 -0.02501 0.05859 0.04974 135 3S 0.41932 0.93515 -0.01944 0.82501 1.02034 136 4PX 0.02094 -0.00307 -0.01037 0.03479 -0.02820 137 4PY -0.00554 0.00515 0.00873 -0.07148 0.00460 138 4PZ -0.00932 0.01291 0.03619 0.00102 -0.06156 139 5PX -0.12220 0.06279 0.11893 -0.29613 0.22978 140 5PY 0.05202 0.00821 -0.01794 0.51834 -0.03076 141 5PZ 0.05327 -0.09045 -0.24740 -0.00645 0.49086 142 6PX 0.64767 1.07255 -1.12296 0.23116 -0.44767 143 6PY -0.03004 -0.70756 0.63140 -0.79595 1.14456 144 6PZ -0.54391 1.50974 -2.22353 0.29429 0.51520 145 7D 0 -0.01568 0.01649 -0.01199 -0.00893 0.00885 146 7D+1 0.01965 0.02435 -0.01239 -0.01315 -0.01409 147 7D-1 -0.02106 -0.01861 0.01566 0.02132 0.01460 148 7D+2 -0.00724 0.01708 0.00058 0.00469 0.00671 149 7D-2 -0.01176 0.02795 0.01320 -0.03625 -0.01809 150 8D 0 -0.00222 0.00435 -0.00452 -0.00063 0.00465 151 8D+1 0.00524 0.00366 0.00178 -0.00274 -0.00541 152 8D-1 -0.00335 -0.00279 0.00708 0.00219 -0.00220 153 8D+2 -0.00230 0.00024 -0.00023 0.00597 0.00238 154 8D-2 -0.00229 0.00708 0.00546 -0.00939 -0.00361 155 8 Cu 1S -0.00047 0.00246 0.00042 -0.00076 -0.00056 156 2S 0.00262 -0.07384 0.03769 0.00239 -0.00193 157 3S 0.09641 -3.51581 1.08313 0.65620 0.28133 158 4PX -0.01287 -0.00664 -0.01463 -0.05934 -0.04961 159 4PY 0.00107 0.03212 -0.00124 -0.02431 -0.01839 160 4PZ 0.03849 -0.04093 0.02329 -0.01566 -0.00949 161 5PX 0.07881 0.01047 0.10792 0.45906 0.38915 162 5PY 0.00889 -0.11987 -0.01790 0.13486 0.11596 163 5PZ -0.22390 0.34967 -0.15704 0.08989 0.05902 164 6PX -0.35879 -0.01841 -0.21789 -1.64070 -1.90018 165 6PY 2.35761 3.06353 0.80385 -1.14212 -0.60058 166 6PZ -1.32665 -4.52875 -1.52478 0.65619 -0.23259 167 7D 0 -0.00548 0.02922 -0.00628 0.00494 -0.01171 168 7D+1 0.00544 -0.02194 0.00745 0.01771 -0.02853 169 7D-1 0.00352 0.00918 -0.00004 0.00258 -0.00848 170 7D+2 0.00711 -0.03382 0.00945 -0.00175 0.00604 171 7D-2 0.00308 -0.01629 0.00703 0.00658 0.00067 172 8D 0 -0.00601 0.00387 -0.00279 0.00181 -0.00217 173 8D+1 0.00297 0.00033 0.00296 0.00377 -0.00427 174 8D-1 -0.00132 -0.00184 -0.00273 0.00372 -0.00012 175 8D+2 -0.00060 0.00282 -0.00092 -0.00484 -0.00066 176 8D-2 0.00043 0.00249 0.00166 0.00300 0.00017 177 9 C 1S -0.00009 0.02637 0.00662 -0.00746 -0.00302 178 2S -0.00392 -0.06518 -0.01997 0.01866 0.00704 179 3S 0.01704 -0.22369 -0.04285 0.06776 0.03374 180 4PX -0.01022 -0.00508 -0.00050 -0.11073 -0.00613 181 4PY -0.05339 -0.03707 0.00424 -0.00998 0.00542 182 4PZ 0.08694 -0.00334 -0.07576 -0.00936 -0.00029 183 5PX -0.02688 0.00596 -0.01540 -0.04343 0.03396 184 5PY 0.04666 -0.02897 0.07517 -0.02216 -0.00944 185 5PZ 0.11136 0.00427 -0.00685 -0.01223 -0.00212 186 10 O 1S 0.00505 -0.01126 0.00488 0.00161 0.00045 187 2S -0.01685 0.03248 -0.01575 -0.00394 -0.00048 188 3S -0.00765 0.07018 -0.01038 -0.01727 -0.01021 189 4PX 0.00809 0.00865 0.00207 0.07605 0.01679 190 4PY 0.04449 0.02135 0.00591 0.00449 -0.00442 191 4PZ -0.05917 0.02593 0.04362 0.00400 0.00193 192 5PX 0.00369 0.00136 -0.00098 0.04109 -0.00282 193 5PY 0.02810 0.01930 0.00450 -0.00127 -0.00701 194 5PZ -0.03757 0.00585 0.02972 0.00095 -0.00258 121 122 123 124 125 V V V V V EIGENVALUES -- 0.12042 0.12305 0.15523 0.17439 0.19528 1 1 Cu 1S 0.00017 0.00107 0.00025 -0.00436 -0.00422 2 2S -0.01230 -0.03559 -0.01027 -0.10572 -0.01754 3 3S -0.32859 -1.11897 -0.44808 -2.51575 0.36601 4 4PX -0.02132 -0.00270 0.03439 -0.00210 -0.00567 5 4PY 0.00245 0.02654 0.00512 -0.02640 -0.00301 6 4PZ 0.00016 0.02187 0.00516 0.01006 0.04205 7 5PX 0.11122 0.00198 -0.40510 0.07169 0.07009 8 5PY -0.01197 -0.12242 -0.09561 0.22093 -0.11220 9 5PZ -0.00105 -0.11809 -0.04958 -0.06633 -0.41692 10 6PX 1.39149 -2.85214 15.66383 -0.72482 -0.56279 11 6PY 3.39607 10.62478 -0.16451 -2.69227 0.98795 12 6PZ 1.12554 2.28248 2.28583 0.99491 1.84338 13 7D 0 -0.02167 0.03925 0.00415 0.02114 -0.02587 14 7D+1 -0.09388 -0.00302 0.00410 -0.01905 0.00625 15 7D-1 0.00335 0.06344 0.00905 0.00768 0.02335 16 7D+2 0.00121 0.00073 -0.02627 -0.04631 0.00590 17 7D-2 0.03914 -0.02218 0.03618 -0.02548 -0.00204 18 8D 0 -0.00540 0.01279 0.00226 0.00531 -0.00260 19 8D+1 -0.02659 -0.00143 0.00435 -0.00633 -0.00057 20 8D-1 0.00132 0.01917 0.00206 0.00429 0.00810 21 8D+2 0.00062 0.00096 -0.00516 -0.01409 -0.00137 22 8D-2 0.01129 -0.00596 0.00610 -0.00805 -0.00228 23 2 Cu 1S -0.00066 -0.00327 -0.00167 -0.00661 -0.00908 24 2S -0.00123 -0.01843 -0.01042 0.07505 -0.08531 25 3S 0.51855 1.80223 -0.37039 5.56163 0.15925 26 4PX -0.00258 0.00562 -0.03861 -0.00024 -0.00638 27 4PY 0.00000 0.00183 -0.00598 0.01463 -0.03581 28 4PZ -0.00863 -0.03545 -0.00315 0.00610 0.06720 29 5PX 0.01146 -0.04462 0.43150 0.17534 0.16769 30 5PY -0.00332 -0.00853 -0.02458 -0.85870 0.10467 31 5PZ 0.06148 0.28242 0.01577 -0.31438 -0.96804 32 6PX -1.42493 -0.63184 -6.99428 0.30782 -0.29336 33 6PY 0.04315 0.77723 -1.02461 2.48839 -0.56338 34 6PZ 0.25029 1.71395 -1.77432 -0.78617 2.17704 35 7D 0 -0.00172 -0.01615 -0.00898 -0.06453 0.00615 36 7D+1 0.00574 0.00740 -0.01304 0.00235 0.00515 37 7D-1 -0.00505 -0.02046 0.00464 0.08778 -0.01327 38 7D+2 0.00512 0.01717 -0.00029 -0.03180 -0.00474 39 7D-2 -0.00713 0.01502 0.00350 -0.02901 -0.00072 40 8D 0 -0.00172 -0.00579 -0.00253 -0.02402 -0.00105 41 8D+1 -0.00051 0.00138 -0.00481 -0.00692 0.00021 42 8D-1 -0.00087 -0.00310 0.00300 0.04368 -0.00076 43 8D+2 -0.00034 -0.00108 -0.00339 -0.03817 -0.00720 44 8D-2 -0.00117 0.00128 0.00168 -0.02286 -0.00284 45 3 Cu 1S 0.00318 0.00006 -0.00018 -0.00455 0.00899 46 2S 0.06096 0.01529 -0.01791 -0.03430 0.05264 47 3S 1.08231 0.58661 -1.52791 -0.91975 0.48712 48 4PX -0.01772 0.00391 0.00008 -0.00440 -0.04048 49 4PY 0.03066 -0.02797 -0.00435 -0.00367 0.00623 50 4PZ 0.05876 0.01128 -0.01214 -0.01497 -0.04481 51 5PX 0.09644 -0.03735 0.04915 0.04418 0.57659 52 5PY -0.27166 0.26998 0.08090 0.08421 -0.08659 53 5PZ -0.46289 -0.06728 0.11414 0.18864 0.59010 54 6PX -0.88527 1.20860 -1.87476 -0.59533 -0.92755 55 6PY -0.72473 -3.16140 -1.28424 1.86249 -0.80327 56 6PZ 1.39847 1.70351 -2.60345 -0.34842 -0.28955 57 7D 0 -0.01049 -0.01274 0.01500 0.00909 0.06643 58 7D+1 0.05219 0.01136 -0.01807 -0.00311 0.08327 59 7D-1 -0.00478 -0.01904 0.00495 -0.04204 -0.02769 60 7D+2 -0.02045 -0.01452 0.02002 0.03552 0.03051 61 7D-2 -0.00729 -0.00847 -0.01309 -0.00216 -0.01741 62 8D 0 -0.00374 -0.00198 0.00595 0.00526 0.01658 63 8D+1 0.01339 0.00172 -0.00410 -0.00168 0.02476 64 8D-1 -0.00269 -0.00230 0.00274 -0.00407 -0.00814 65 8D+2 -0.00483 -0.00109 0.00225 0.00608 0.01098 66 8D-2 -0.00319 -0.00357 -0.00210 0.00575 -0.00471 67 4 Cu 1S -0.00293 0.00121 -0.00183 -0.00400 0.00877 68 2S -0.05121 0.04055 0.00752 -0.03308 0.05023 69 3S -0.75556 1.07620 1.11935 -1.10155 0.40547 70 4PX 0.01401 -0.00530 -0.00472 0.01404 0.05210 71 4PY -0.04069 -0.00357 0.00681 -0.00660 0.01363 72 4PZ -0.05024 0.03609 0.00395 -0.01447 -0.02756 73 5PX -0.15814 0.05432 0.10469 -0.17954 -0.72677 74 5PY 0.35433 0.06192 -0.07506 0.13972 -0.20162 75 5PZ 0.38763 -0.25430 0.01246 0.17654 0.33881 76 6PX -0.78106 -0.19797 -2.63635 0.51411 1.30886 77 6PY -1.30943 -2.53404 1.92348 1.55144 -0.68998 78 6PZ -0.81131 1.72163 1.38448 -0.44718 0.09684 79 7D 0 0.03056 -0.03653 -0.01801 0.02064 0.01278 80 7D+1 0.03411 -0.01513 0.00381 0.01907 -0.08346 81 7D-1 0.01181 -0.02896 -0.02054 -0.02448 -0.04038 82 7D+2 0.00065 -0.02167 0.00045 0.01274 0.03035 83 7D-2 -0.00378 0.00092 -0.01380 0.04028 0.05729 84 8D 0 0.00925 -0.00824 -0.00388 0.00786 0.00117 85 8D+1 0.00815 -0.00371 0.00314 0.00232 -0.02224 86 8D-1 0.00555 -0.00458 -0.00282 -0.00200 -0.01205 87 8D+2 0.00144 -0.00493 0.00124 0.00599 0.01101 88 8D-2 -0.00181 0.00238 -0.00411 0.00197 0.01810 89 5 Cu 1S -0.00067 -0.00214 0.00031 -0.01005 -0.00618 90 2S -0.01875 -0.00495 -0.03778 -0.05543 -0.03633 91 3S -0.61754 0.77425 -2.45120 -0.81564 -0.69621 92 4PX 0.05514 0.01951 0.01138 0.00545 0.02513 93 4PY -0.00465 0.00172 0.01536 -0.06986 0.04745 94 4PZ -0.05753 -0.02133 0.01560 -0.02703 -0.06136 95 5PX -0.47126 -0.21749 -0.09055 -0.11060 -0.28951 96 5PY 0.03838 0.02730 -0.13314 0.91969 -0.69700 97 5PZ 0.51203 0.19350 -0.11665 0.39151 0.93161 98 6PX 0.74883 -0.64935 1.34841 0.79168 0.83837 99 6PY -1.12771 -0.89539 -3.50153 -0.61234 0.85123 100 6PZ -1.11474 0.26900 -3.13616 -0.42459 -0.98883 101 7D 0 -0.00718 0.01322 -0.00685 -0.00573 -0.08167 102 7D+1 0.01264 -0.00466 0.00907 -0.00587 -0.02459 103 7D-1 -0.02099 -0.00504 -0.01691 -0.00869 0.04320 104 7D+2 0.00641 0.00810 0.03169 0.04810 0.01282 105 7D-2 -0.00584 -0.00813 -0.02360 -0.03181 0.03819 106 8D 0 0.00123 0.00354 -0.00192 -0.00729 -0.01537 107 8D+1 0.00205 -0.00052 -0.00237 0.00062 -0.00431 108 8D-1 -0.00466 -0.00315 -0.00391 -0.00904 0.01064 109 8D+2 0.00037 0.00277 0.00568 0.01082 0.00321 110 8D-2 -0.00175 -0.00442 -0.00633 -0.00634 0.00731 111 6 Cu 1S -0.00094 -0.00377 -0.00127 -0.00588 0.00832 112 2S -0.01564 -0.06101 -0.00141 0.00139 0.06760 113 3S -0.45506 -1.78984 0.40352 0.51338 0.93738 114 4PX 0.07285 -0.01174 0.00287 -0.00515 0.00012 115 4PY 0.01774 0.00710 0.00151 0.01259 0.00773 116 4PZ 0.00258 -0.06239 0.00559 0.00132 -0.02153 117 5PX -0.62231 0.11464 -0.07479 0.05455 -0.02058 118 5PY -0.15254 -0.04530 -0.04956 -0.14488 -0.06529 119 5PZ -0.04569 0.47206 -0.04225 0.05456 0.33111 120 6PX 1.38280 1.53423 0.06545 -0.57670 0.13496 121 6PY -0.61769 -2.39194 0.81464 0.36926 -0.75305 122 6PZ -1.38986 -5.43793 1.05862 1.74441 -0.54855 123 7D 0 -0.00104 0.00285 0.01844 0.00958 0.04175 124 7D+1 0.00530 0.01832 0.04374 -0.01712 -0.03515 125 7D-1 -0.01780 -0.05698 0.01645 0.01978 0.05666 126 7D+2 0.00464 -0.00767 -0.01345 -0.01167 -0.02825 127 7D-2 -0.01578 0.01802 -0.00284 -0.01272 -0.02855 128 8D 0 -0.00130 0.00066 0.00210 -0.00018 0.00735 129 8D+1 0.00016 0.00660 0.00634 -0.00058 -0.00839 130 8D-1 -0.00669 -0.01814 0.00129 -0.00075 0.01796 131 8D+2 0.00337 0.00032 -0.00295 0.00271 -0.00306 132 8D-2 -0.00559 0.00752 0.00253 -0.00008 -0.00677 133 7 Cu 1S -0.00075 -0.00219 -0.00339 -0.00918 -0.00612 134 2S 0.01214 -0.01134 0.02497 -0.05581 -0.03338 135 3S 0.90543 0.26318 2.13629 -0.95048 -0.71320 136 4PX 0.01977 -0.01811 0.02293 0.02178 -0.02056 137 4PY 0.01404 -0.01919 -0.02230 -0.06381 0.04239 138 4PZ 0.05565 -0.05486 -0.00655 -0.02173 -0.06611 139 5PX -0.14731 0.16559 -0.17256 -0.26061 0.21563 140 5PY -0.09009 0.20585 0.27691 0.88909 -0.65109 141 5PZ -0.48139 0.50351 0.05939 0.34438 0.96865 142 6PX 0.35049 0.64601 -1.26101 -0.20232 -0.73966 143 6PY 0.81684 -0.85046 3.47855 -1.33880 0.69225 144 6PZ 1.42602 -0.01092 2.65454 -1.05929 -1.19633 145 7D 0 0.01579 0.00660 0.00216 0.00164 -0.05329 146 7D+1 -0.00168 0.00141 -0.01134 0.01797 0.05493 147 7D-1 0.01493 -0.00689 0.00857 0.01400 0.04499 148 7D+2 0.00158 -0.00325 0.00042 0.01292 0.02840 149 7D-2 -0.00739 0.01751 -0.03994 0.06242 -0.04055 150 8D 0 0.00134 0.00279 -0.00414 -0.00535 -0.01015 151 8D+1 0.00053 -0.00034 -0.00340 0.00882 0.00930 152 8D-1 0.00309 -0.00301 -0.00016 -0.00269 0.01038 153 8D+2 0.00054 -0.00158 0.00078 0.00117 0.00671 154 8D-2 -0.00017 0.00599 -0.00707 0.01763 -0.00834 155 8 Cu 1S -0.00066 -0.00197 -0.00084 -0.01489 -0.00451 156 2S -0.00812 -0.03048 0.01177 -0.04731 -0.03992 157 3S -0.35084 -1.63291 1.18563 0.67437 -1.05798 158 4PX -0.00651 0.00558 0.10688 -0.00678 0.01001 159 4PY -0.01417 -0.05222 0.02763 -0.00040 0.00183 160 4PZ 0.01771 0.07939 0.01752 -0.01722 -0.03787 161 5PX 0.05071 -0.06079 -1.14301 0.08952 -0.15151 162 5PY 0.11408 0.45215 -0.35744 -0.13916 -0.00046 163 5PZ -0.16134 -0.67242 -0.21183 0.17291 0.59802 164 6PX -0.65158 0.23644 -1.42889 0.14337 0.08401 165 6PY 0.20294 0.89278 -0.67143 -0.43959 0.60551 166 6PZ -0.71337 -1.62411 0.36856 0.33214 -0.81154 167 7D 0 -0.00979 0.00711 -0.00092 -0.00314 -0.03924 168 7D+1 -0.02734 0.00198 -0.00715 0.00737 0.02134 169 7D-1 -0.00686 -0.00676 -0.00291 -0.02209 -0.03083 170 7D+2 -0.00637 -0.02913 -0.00383 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-0.00588 -0.02899 0.00818 -0.00977 0.00857 191 4PZ 0.00350 0.00572 0.01134 0.01327 -0.07866 192 5PX 0.00663 0.00287 0.02478 -0.02389 0.01112 193 5PY -0.00449 -0.02747 0.01051 0.08194 0.01200 194 5PZ 0.00304 0.00890 0.00544 0.03647 -0.06977 126 127 128 129 130 V V V V V EIGENVALUES -- 0.20181 0.20551 0.22152 0.24269 0.25628 1 1 Cu 1S -0.01342 -0.00531 0.01510 0.00112 -0.00842 2 2S -0.10695 -0.04231 0.03206 0.00521 0.04432 3 3S -2.78766 -1.01234 -0.37770 0.02849 5.29332 4 4PX -0.00532 -0.00739 -0.01413 -0.07461 0.01326 5 4PY -0.01661 -0.00857 0.05013 -0.01493 0.02651 6 4PZ 0.06840 0.02534 0.03999 -0.00582 -0.03059 7 5PX 0.03421 0.03595 0.29146 1.35059 -0.47371 8 5PY 0.38370 0.16691 -1.03286 0.23623 -0.11073 9 5PZ -0.75028 -0.28915 -0.63608 0.11146 0.92062 10 6PX 0.01386 0.42154 -0.91257 -0.66065 -2.24700 11 6PY -1.78255 -0.58862 3.73023 -0.52304 7.43344 12 6PZ 3.15909 1.36678 1.11594 -0.00471 1.28550 13 7D 0 0.06089 0.01917 0.01106 -0.00105 -0.08758 14 7D+1 -0.00595 -0.00478 0.01525 -0.01268 0.03185 15 7D-1 -0.03658 -0.01475 -0.04013 -0.01355 0.00931 16 7D+2 0.01918 0.00374 0.04008 0.01656 0.01273 17 7D-2 0.01752 0.01379 0.03165 -0.03577 0.00767 18 8D 0 0.01859 0.00542 0.00562 -0.00041 -0.03831 19 8D+1 0.00010 -0.00343 0.00396 -0.00621 0.01303 20 8D-1 -0.01315 -0.00537 -0.00752 -0.00587 0.00751 21 8D+2 0.00902 0.00207 0.01726 0.00833 -0.00290 22 8D-2 0.00594 0.00587 0.01010 -0.01574 0.00027 23 2 Cu 1S 0.03363 0.01162 -0.03963 -0.00229 0.02969 24 2S 0.20864 0.07527 -0.30063 -0.02104 0.25621 25 3S -2.79354 -0.82545 2.65335 -0.22314 4.84351 26 4PX -0.00358 0.02381 0.02728 -0.02474 -0.01696 27 4PY 0.02587 0.01238 -0.07606 -0.00644 0.00682 28 4PZ -0.05244 -0.00984 -0.06372 -0.01022 0.00455 29 5PX -0.20777 -0.47147 0.00533 0.50596 0.04042 30 5PY 0.56062 0.13578 -0.38459 0.03405 0.74394 31 5PZ 1.32176 0.35501 0.21466 0.16427 0.35173 32 6PX 0.42503 -0.08382 -0.34310 -1.77290 -0.57791 33 6PY -0.89253 -0.29140 1.50381 -0.31283 0.06668 34 6PZ -1.51807 -0.51580 0.90544 -0.40449 1.26025 35 7D 0 -0.00528 -0.03435 0.01873 -0.00306 -0.02413 36 7D+1 0.04267 -0.08209 0.00677 -0.01368 0.00629 37 7D-1 0.02021 -0.00367 -0.02180 0.00217 0.03269 38 7D+2 0.05045 0.02566 0.05293 -0.00183 0.02464 39 7D-2 0.00566 0.03126 0.02162 0.02497 0.00931 40 8D 0 0.01824 -0.00069 -0.01134 -0.00048 -0.00331 41 8D+1 0.01385 -0.01508 -0.00058 -0.00183 0.00533 42 8D-1 -0.02268 -0.01010 0.01541 0.00191 0.00231 43 8D+2 0.03927 0.01521 -0.00817 -0.00232 0.01870 44 8D-2 0.01759 0.01068 -0.00594 0.00778 0.00861 45 3 Cu 1S -0.00567 -0.00102 0.00204 -0.00412 0.00864 46 2S -0.00644 0.00343 0.05695 -0.01306 0.06883 47 3S 1.34793 0.03625 0.17340 0.22910 1.55777 48 4PX 0.00839 -0.03338 0.01614 0.05950 0.02589 49 4PY 0.04610 -0.06759 0.01648 -0.03081 -0.04379 50 4PZ 0.00603 -0.02541 0.00488 0.06714 0.00135 51 5PX -0.16326 0.51111 -0.15937 -1.19162 -0.44930 52 5PY -0.77234 0.98167 0.17746 0.52763 0.97315 53 5PZ -0.03276 0.33637 -0.09775 -1.33950 0.27076 54 6PX -0.48444 -1.30188 0.53724 1.86090 1.13663 55 6PY 1.65167 -2.24021 -1.05589 -1.46379 -2.24342 56 6PZ 0.71133 -0.84184 0.68143 2.49363 1.13881 57 7D 0 -0.02725 -0.00614 -0.04523 -0.07691 0.02546 58 7D+1 0.03720 -0.00568 0.01237 0.04395 0.00816 59 7D-1 -0.03045 0.00723 0.00208 0.02889 -0.01775 60 7D+2 -0.00433 -0.06466 -0.06104 0.04242 0.01504 61 7D-2 -0.00391 -0.07616 -0.02892 0.00047 -0.07792 62 8D 0 -0.01334 -0.00315 0.00074 -0.02868 0.00042 63 8D+1 0.01169 -0.00171 0.00316 0.01319 -0.00004 64 8D-1 -0.00791 0.00222 -0.00046 0.00928 0.00148 65 8D+2 -0.01785 -0.02136 0.00621 0.01771 -0.00292 66 8D-2 0.00752 -0.01870 -0.01986 -0.00199 -0.02417 67 4 Cu 1S -0.00517 -0.00180 0.00139 0.00332 0.00998 68 2S -0.00569 -0.00171 0.05190 0.01885 0.06827 69 3S 1.09579 0.88831 0.18836 -0.07873 1.08106 70 4PX 0.01334 -0.05824 -0.02857 0.06278 -0.00334 71 4PY -0.00631 0.06369 0.00641 0.06134 -0.03870 72 4PZ -0.00082 0.00159 0.00260 -0.04668 -0.00648 73 5PX -0.14089 0.89663 0.25232 -1.30238 -0.18642 74 5PY 0.00425 -0.98471 0.28591 -1.10534 0.72618 75 5PZ 0.04271 0.04489 -0.12168 0.90461 0.32092 76 6PX 0.74554 -1.90016 -0.56583 2.02996 -0.38621 77 6PY 0.12938 2.34711 -1.30966 2.38750 -1.91246 78 6PZ 0.58519 0.63078 0.58575 -1.73637 0.53645 79 7D 0 -0.04225 -0.01327 -0.05484 0.07513 0.01654 80 7D+1 -0.01604 0.01047 -0.00432 -0.01713 -0.02557 81 7D-1 -0.01256 -0.03975 0.00150 -0.03625 -0.00853 82 7D+2 -0.05864 0.07666 -0.05385 -0.04534 -0.03869 83 7D-2 0.01744 0.00800 -0.01600 -0.02553 0.06009 84 8D 0 -0.01850 -0.00713 -0.00325 0.02888 -0.00115 85 8D+1 -0.00461 0.00195 -0.00285 -0.00974 -0.00790 86 8D-1 -0.00722 -0.01398 0.00737 -0.01286 -0.00017 87 8D+2 -0.02252 0.01829 -0.00500 -0.01446 -0.01804 88 8D-2 -0.01077 -0.00497 0.01866 -0.01079 0.01137 89 5 Cu 1S -0.00299 -0.00046 0.00559 0.00324 0.00336 90 2S -0.01483 0.00774 0.05013 0.02456 -0.08420 91 3S 0.51722 0.57622 -1.10992 -0.61378 -2.95568 92 4PX 0.00946 0.02343 -0.00566 -0.01986 -0.06360 93 4PY -0.04264 0.02467 0.01513 -0.00113 -0.00481 94 4PZ -0.03306 0.00299 0.01022 0.03219 -0.02584 95 5PX -0.15572 -0.37342 0.36009 0.64122 1.30386 96 5PY 0.58899 -0.36762 -0.05189 0.04422 0.09183 97 5PZ 0.51637 -0.07291 0.01267 -0.73726 0.49831 98 6PX 0.06854 0.46760 -0.15769 -1.04565 -0.14975 99 6PY -0.61682 0.72732 -0.31423 -0.70012 -0.42817 100 6PZ -0.96057 -0.31203 0.38591 0.88349 1.02165 101 7D 0 -0.01096 0.01368 0.01659 0.09457 0.03681 102 7D+1 -0.05819 0.00773 -0.01703 -0.01514 -0.03100 103 7D-1 -0.00948 0.05382 0.03837 -0.05123 -0.02085 104 7D+2 0.01039 0.02391 -0.04385 -0.00702 -0.02656 105 7D-2 -0.06533 -0.00985 -0.00340 0.04115 -0.02164 106 8D 0 -0.00828 -0.00115 0.00756 0.02927 0.00555 107 8D+1 -0.00759 0.00530 -0.00820 -0.00040 -0.01007 108 8D-1 0.00302 0.00880 -0.01215 -0.01267 -0.00052 109 8D+2 -0.00598 0.00011 0.00044 -0.01414 -0.01183 110 8D-2 -0.00798 0.00366 -0.00448 0.00606 0.00074 111 6 Cu 1S -0.00229 -0.00062 -0.00338 -0.00012 0.01064 112 2S 0.00361 0.00215 -0.03301 -0.00053 0.01506 113 3S 0.72360 0.24270 -0.93096 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-0.00195 0.00362 -0.00314 0.00217 134 2S -0.00929 -0.01931 0.03965 -0.01998 -0.08749 135 3S 0.97472 -0.23911 -1.06461 0.45383 -3.54884 136 4PX -0.00379 0.03601 -0.00152 -0.00899 0.06614 137 4PY -0.01959 -0.03771 0.01866 -0.00145 0.02532 138 4PZ -0.02242 -0.02089 0.01656 -0.03855 -0.00228 139 5PX 0.10366 -0.55804 -0.32480 0.33147 -1.35747 140 5PY 0.29507 0.52234 -0.17752 0.10056 -0.69413 141 5PZ 0.33361 0.35810 -0.21207 0.97952 -0.01674 142 6PX 0.02480 0.69964 0.19720 -0.91347 -0.12568 143 6PY 0.08953 -0.79528 -0.27866 0.33111 -0.17292 144 6PZ -0.68334 -0.27503 0.58331 -1.37614 0.86083 145 7D 0 0.02804 0.00840 0.02375 -0.09220 0.03633 146 7D+1 0.01270 0.05257 -0.02201 0.02379 -0.01232 147 7D-1 0.04942 -0.01560 0.02202 0.07243 -0.00749 148 7D+2 -0.02303 -0.04808 -0.02734 -0.01527 -0.03261 149 7D-2 0.03685 0.02133 -0.03851 0.01476 -0.02671 150 8D 0 -0.00446 0.00052 0.01289 -0.02560 0.01135 151 8D+1 -0.00037 0.00925 0.00316 0.01684 -0.00172 152 8D-1 0.00838 0.00114 -0.00801 0.01904 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0.01596 0.02625 -0.06899 37 7D-1 0.01300 0.04834 -0.03193 0.01409 -0.00589 38 7D+2 -0.01194 0.02331 0.03576 0.04699 0.00142 39 7D-2 0.03552 -0.01175 0.00706 0.01839 0.02368 40 8D 0 -0.00021 -0.00935 -0.00427 0.00674 -0.00776 41 8D+1 0.01040 -0.00396 0.01104 0.00135 -0.02610 42 8D-1 0.00826 0.02368 -0.03545 0.00979 -0.00296 43 8D+2 -0.00378 0.01600 0.04044 0.01917 0.00465 44 8D-2 0.02516 -0.00807 0.01683 0.00761 -0.00247 45 3 Cu 1S 0.00436 0.01598 -0.00887 -0.00569 -0.00223 46 2S 0.00308 0.06499 -0.07590 -0.00429 -0.16710 47 3S 0.25471 0.34388 -0.92834 -0.25945 -7.60483 48 4PX -0.00089 -0.02968 -0.02998 -0.01162 -0.06291 49 4PY -0.02844 0.04007 -0.02743 0.05093 -0.00659 50 4PZ 0.00336 -0.00618 0.00656 -0.00951 0.06625 51 5PX -0.07277 0.63913 0.67440 0.56745 1.67266 52 5PY 0.82728 -0.70264 0.73831 -1.73436 0.28627 53 5PZ -0.06724 -0.04585 -0.19332 0.59500 -1.47808 54 6PX 0.90654 0.16075 -0.40064 0.07723 1.19660 55 6PY -0.54139 0.81930 0.73347 -0.10448 0.26779 56 6PZ 0.62625 -0.33948 -0.51965 -0.02008 -0.50157 57 7D 0 0.01556 -0.01103 0.03758 0.05503 0.00172 58 7D+1 -0.00194 0.05443 0.04653 0.00897 -0.02128 59 7D-1 0.05241 -0.03014 0.07398 -0.04740 0.03731 60 7D+2 0.03400 -0.05461 0.02731 -0.01309 -0.05732 61 7D-2 -0.03202 0.03752 -0.03906 0.07631 0.00743 62 8D 0 0.00656 0.00265 0.00596 0.02430 -0.00407 63 8D+1 0.00317 0.02127 0.01722 0.00156 -0.00638 64 8D-1 0.00506 -0.01932 0.00389 -0.01217 0.01003 65 8D+2 0.01485 -0.00214 0.00209 -0.00067 -0.02291 66 8D-2 -0.01648 -0.00992 -0.01032 0.02869 -0.00184 67 4 Cu 1S 0.00086 0.01539 -0.01220 -0.00602 0.00301 68 2S -0.00565 0.06574 -0.07820 -0.00683 0.18041 69 3S -0.36125 0.81180 0.22994 -0.41191 7.99347 70 4PX 0.01182 0.01063 0.03636 -0.00583 -0.04071 71 4PY 0.04430 0.02254 -0.02767 0.05526 -0.01021 72 4PZ 0.00369 0.00207 0.01251 -0.00661 -0.08968 73 5PX -0.20483 -0.25305 -0.84128 -0.03199 1.16265 74 5PY -0.96643 -0.29778 0.79890 -1.92647 0.10480 75 5PZ -0.25065 -0.15129 -0.20064 0.42441 2.14625 76 6PX 0.64372 -0.62897 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1.23114 -0.67271 0.22590 0.22026 0.63332 97 5PZ 0.58248 0.42723 0.49110 0.66166 -1.53599 98 6PX 0.05723 0.64554 0.52319 0.36065 -0.70795 99 6PY -0.58500 -0.55535 0.18763 -0.13262 0.73573 100 6PZ 0.48260 0.40940 -0.40568 0.07887 0.14591 101 7D 0 -0.02310 -0.00589 0.01163 0.00261 0.02242 102 7D+1 -0.05632 -0.01316 -0.05470 0.01052 0.08786 103 7D-1 -0.05827 0.02342 -0.00677 0.00826 -0.03802 104 7D+2 0.04315 0.01749 -0.07734 -0.07152 0.00395 105 7D-2 -0.10624 0.05139 -0.02534 -0.03949 -0.03372 106 8D 0 -0.00519 0.00122 0.00886 -0.00733 0.01520 107 8D+1 -0.01368 -0.01215 -0.01111 -0.01887 0.01744 108 8D-1 -0.01752 0.01174 0.00303 -0.00747 -0.00439 109 8D+2 0.00929 -0.00099 -0.01370 -0.00602 0.00985 110 8D-2 -0.03353 0.00085 -0.00130 0.00128 -0.00565 111 6 Cu 1S 0.00476 0.01821 0.00515 0.01235 0.00154 112 2S -0.01667 -0.01188 -0.04165 0.20724 0.01120 113 3S -1.81125 -4.44049 -2.66752 6.25619 0.07594 114 4PX 0.00796 -0.01242 -0.01568 -0.01291 -0.04283 115 4PY -0.00270 -0.03311 0.00155 0.09951 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-0.01808 155 8 Cu 1S 0.01195 0.01560 0.02162 -0.00594 -0.00268 156 2S 0.05292 -0.01414 0.17100 -0.03487 -0.01172 157 3S -0.25942 -3.77886 4.80045 -1.02072 -0.13598 158 4PX -0.03302 0.02397 -0.01682 0.00327 0.00107 159 4PY -0.00296 -0.04760 0.05640 -0.01145 -0.00050 160 4PZ 0.00836 -0.00073 0.05658 -0.00592 -0.00394 161 5PX 0.66199 -0.47988 0.43481 -0.00159 0.00429 162 5PY 0.32574 1.47110 -1.17066 -0.04755 -0.00143 163 5PZ -0.30414 -0.29894 -1.46858 0.18129 0.05921 164 6PX 0.23946 -0.00821 0.00528 0.00694 0.41982 165 6PY -0.15229 0.17142 -0.95495 0.14399 0.14464 166 6PZ -0.04950 -0.29443 0.28386 -0.14147 0.01960 167 7D 0 0.01761 0.06251 0.03377 -0.00309 0.00304 168 7D+1 -0.03142 0.00373 -0.02932 0.00018 0.01969 169 7D-1 -0.01961 -0.01017 0.04799 -0.03642 -0.00391 170 7D+2 0.05392 0.04752 -0.03980 -0.01476 -0.00112 171 7D-2 -0.06817 0.05551 -0.01305 0.00250 -0.01316 172 8D 0 0.01791 0.03818 0.02143 -0.00888 0.00262 173 8D+1 -0.00862 -0.00630 -0.01249 -0.00073 0.00544 174 8D-1 -0.00508 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194 5PZ 0.00465 -0.00339 -0.06067 0.07264 0.00357 136 137 138 139 140 V V V V V EIGENVALUES -- 0.31129 0.32195 0.34129 0.37594 0.40362 1 1 Cu 1S 0.02352 -0.00199 0.01573 0.01789 0.00127 2 2S 0.16325 -0.02950 0.28101 0.09810 0.00501 3 3S 2.42374 -1.02120 10.51358 2.72174 0.14796 4 4PX 0.00052 0.05738 -0.03121 0.01002 0.01734 5 4PY -0.01834 0.00430 0.10465 -0.04261 -0.00068 6 4PZ 0.03427 0.00169 0.09350 0.01658 0.00309 7 5PX -0.27162 -2.83522 1.19267 -0.50118 -0.00620 8 5PY 1.27422 -0.29191 -4.23010 1.60470 0.13749 9 5PZ -0.86504 -0.21629 -3.06434 -0.16353 0.01858 10 6PX -1.70048 -3.62677 2.20326 -2.22281 -2.58314 11 6PY 3.49451 0.50932 -6.00754 4.71165 0.10328 12 6PZ 0.85508 -0.26305 -3.48097 1.11483 -0.33016 13 7D 0 0.08466 0.01850 -0.00232 0.02056 0.00338 14 7D+1 -0.02802 0.06990 -0.01457 -0.00834 0.00653 15 7D-1 0.03493 0.03018 0.09205 0.00581 0.00693 16 7D+2 0.04001 -0.04894 -0.03705 -0.00796 -0.01150 17 7D-2 0.00625 0.09259 -0.01853 -0.00576 0.02162 18 8D 0 0.01740 0.00372 0.00716 -0.01030 -0.00336 19 8D+1 -0.00843 0.01738 -0.00503 0.00702 -0.00764 20 8D-1 0.01818 0.01058 0.01643 -0.01967 -0.00802 21 8D+2 0.00406 -0.01983 -0.00291 -0.00546 0.01205 22 8D-2 -0.00013 0.03693 -0.00080 0.00546 -0.02605 23 2 Cu 1S 0.01134 -0.00318 0.00141 -0.01500 -0.00181 24 2S 0.14908 -0.02046 -0.05879 -0.03710 -0.00521 25 3S 5.74332 0.21587 -6.25873 2.66029 0.26485 26 4PX 0.01266 0.07219 -0.02144 0.00913 -0.03606 27 4PY -0.06864 0.01236 0.10273 -0.01831 -0.00753 28 4PZ 0.01879 0.00933 0.03485 -0.01721 -0.00778 29 5PX -0.47545 -2.90331 0.95976 -0.43057 1.58189 30 5PY 2.58313 -0.45571 -4.32190 0.66529 0.34301 31 5PZ -0.78995 -0.39263 -1.82645 0.86011 0.34138 32 6PX -0.10314 0.01856 0.29414 -0.26103 4.96042 33 6PY 0.84401 0.04204 -0.92787 -0.49172 0.88610 34 6PZ 0.36407 0.14902 -0.86865 2.20086 1.04960 35 7D 0 0.00549 -0.00629 0.00761 -0.02614 -0.00516 36 7D+1 0.00058 -0.01749 0.00480 0.01145 -0.01307 37 7D-1 -0.07115 -0.01472 -0.04946 -0.02652 -0.00961 38 7D+2 -0.03086 0.03655 0.00043 -0.00913 0.01224 39 7D-2 0.00171 -0.09434 -0.00048 0.00219 -0.03162 40 8D 0 -0.00251 -0.00340 0.00319 -0.03301 -0.00475 41 8D+1 0.00297 -0.01111 -0.00107 0.00736 -0.00691 42 8D-1 -0.00983 -0.00399 0.00444 -0.01478 -0.00527 43 8D+2 0.00489 0.01107 0.00462 -0.03078 0.00877 44 8D-2 0.00071 -0.02666 0.00133 -0.00872 -0.02204 45 3 Cu 1S -0.01223 0.01608 -0.01520 -0.02300 0.01349 46 2S -0.20252 0.18457 -0.09757 -0.06053 0.02096 47 3S -5.93940 4.81568 -1.33441 0.68027 -0.83817 48 4PX -0.05298 0.07273 -0.01351 -0.00107 0.00398 49 4PY -0.00278 0.01766 -0.02055 -0.00551 0.00097 50 4PZ 0.07734 -0.02130 0.01936 0.01140 0.00959 51 5PX 1.00809 -2.57256 0.37228 -0.09758 0.08142 52 5PY 0.31876 -0.46503 -0.34432 0.05838 0.28347 53 5PZ -2.09064 0.06165 -0.92644 -0.26942 -0.09338 54 6PX 1.01962 -0.45293 -0.13601 0.28721 -0.13383 55 6PY -0.50608 0.06940 0.90213 -0.68348 0.71707 56 6PZ -0.67023 0.20491 -0.23597 -0.07977 0.50576 57 7D 0 -0.03673 -0.06591 -0.04110 -0.03041 -0.00360 58 7D+1 0.05201 -0.02498 0.06057 0.00524 0.00407 59 7D-1 0.02873 0.01776 -0.02493 -0.01034 0.02784 60 7D+2 0.04262 0.03561 -0.00908 0.00248 0.01992 61 7D-2 0.01649 0.02525 0.04948 0.00182 0.00372 62 8D 0 -0.00009 -0.02263 -0.02778 0.00539 0.01703 63 8D+1 0.01225 -0.01863 0.01655 -0.00285 0.00098 64 8D-1 0.01231 0.00291 -0.00561 0.00967 -0.01418 65 8D+2 0.01825 0.02858 -0.03322 -0.01078 0.00125 66 8D-2 -0.00014 0.01653 0.00363 -0.00559 -0.01113 67 4 Cu 1S -0.00895 -0.01145 -0.01985 -0.02247 -0.01426 68 2S -0.19157 -0.15203 -0.13601 -0.06617 -0.02402 69 3S -6.22803 -4.17550 -1.80738 0.15267 0.84290 70 4PX 0.02196 0.05607 0.02062 0.00066 0.00702 71 4PY 0.01122 0.01235 -0.01184 -0.00571 0.00132 72 4PZ 0.08677 0.03497 0.03229 0.01300 -0.00574 73 5PX -0.38306 -2.30437 -0.20582 0.01599 0.15005 74 5PY 0.00605 -0.53794 -0.48877 0.07169 -0.25141 75 5PZ -2.28475 -0.61996 -1.09344 -0.28738 0.09621 76 6PX -0.32776 -0.30614 -0.36798 0.30504 0.29941 77 6PY -0.83481 -0.57521 0.80515 -0.71378 -0.82997 78 6PZ -0.94966 -0.23258 -0.17109 -0.23779 -0.52825 79 7D 0 -0.05225 0.05489 -0.05386 -0.02675 0.00421 80 7D+1 -0.01248 -0.05511 -0.01477 0.01329 0.00648 81 7D-1 0.01707 -0.02773 -0.06150 -0.00600 -0.02768 82 7D+2 0.06093 -0.03439 0.02957 0.00033 -0.02000 83 7D-2 0.01756 -0.00144 -0.02579 0.00396 -0.00367 84 8D 0 -0.00662 0.01261 -0.03290 0.00429 -0.01399 85 8D+1 -0.00965 -0.03338 -0.00662 -0.01012 0.00569 86 8D-1 0.00512 -0.01092 -0.01174 0.00429 0.01184 87 8D+2 0.01733 -0.02075 -0.02384 -0.01088 0.00488 88 8D-2 0.01073 0.00229 -0.02081 -0.00460 -0.01215 89 5 Cu 1S 0.01046 0.00195 -0.00230 0.01333 0.03886 90 2S 0.07311 0.12506 -0.01449 0.04130 0.08725 91 3S 2.21524 5.70389 -1.50569 0.22044 -2.13851 92 4PX 0.00654 0.05205 -0.00976 -0.00765 -0.00511 93 4PY -0.00783 -0.00853 -0.01622 0.01205 0.00573 94 4PZ 0.02053 0.04159 0.00123 0.01133 -0.00087 95 5PX -0.16412 -1.91016 0.50158 0.03939 0.35901 96 5PY 0.52283 0.04040 -0.44280 0.02354 0.40680 97 5PZ -0.80846 -1.08956 -0.42973 -0.16273 0.34217 98 6PX -0.30614 -0.38171 0.16124 0.18601 -0.58949 99 6PY -0.06937 0.48963 0.45154 0.03693 1.38159 100 6PZ 0.05362 0.05849 0.33483 -0.13403 0.52492 101 7D 0 0.03084 -0.02811 0.03613 0.03701 -0.00241 102 7D+1 -0.01154 0.02562 0.00887 0.00426 -0.02475 103 7D-1 -0.05339 0.05764 -0.00713 0.01557 -0.02090 104 7D+2 -0.02233 -0.01034 -0.02799 0.01729 0.00112 105 7D-2 -0.00480 -0.02327 0.03567 -0.00483 -0.02467 106 8D 0 0.01103 -0.01236 0.01373 -0.01902 0.00634 107 8D+1 0.00941 0.02698 0.00640 -0.00557 -0.00252 108 8D-1 -0.01202 -0.00239 0.02578 -0.01789 -0.01854 109 8D+2 0.00544 0.02753 -0.01777 0.00555 0.01173 110 8D-2 -0.01943 0.00010 0.03556 -0.01120 -0.00239 111 6 Cu 1S -0.00818 -0.00130 0.04593 0.00011 0.00067 112 2S 0.09285 -0.00094 0.14234 -0.01443 0.00183 113 3S 7.21757 0.12759 -2.09414 -0.83457 0.02238 114 4PX 0.00226 0.00340 0.00495 0.00173 -0.00174 115 4PY 0.04975 0.00476 -0.01059 -0.00910 0.00008 116 4PZ -0.05040 0.00093 -0.00153 -0.00194 -0.00073 117 5PX -0.08186 -0.36861 0.03347 -0.13530 -0.02666 118 5PY -1.13889 -0.14342 0.09062 0.58791 0.01332 119 5PZ 1.12871 -0.02220 -0.52336 0.03099 0.01242 120 6PX 0.16622 -0.06353 -0.40130 0.26216 -0.20216 121 6PY -1.37344 -0.28973 1.24991 -0.69729 -0.11812 122 6PZ 0.41604 -0.20120 0.48937 -0.55310 -0.06784 123 7D 0 -0.02835 0.00916 0.03005 -0.00272 0.00497 124 7D+1 -0.01468 0.03817 -0.00976 -0.00548 0.01701 125 7D-1 0.03394 0.00520 0.02975 0.04120 0.00452 126 7D+2 -0.04504 -0.01259 0.01519 0.01980 0.00055 127 7D-2 -0.02609 0.01971 0.00221 0.00008 -0.00502 128 8D 0 0.01881 0.00374 -0.02276 0.01160 -0.00278 129 8D+1 -0.01260 0.00516 0.01391 -0.00323 -0.01354 130 8D-1 0.02086 0.00433 -0.01098 0.00427 -0.00037 131 8D+2 -0.00851 -0.00787 0.00618 0.00224 -0.00157 132 8D-2 -0.00733 0.01117 0.00662 -0.00052 0.00806 133 7 Cu 1S 0.01149 0.00007 -0.00471 0.01720 -0.03342 134 2S 0.06463 -0.11345 -0.03822 0.04261 -0.07237 135 3S 1.14593 -5.11725 -1.60974 -1.01711 2.18918 136 4PX -0.00278 0.05023 0.01964 0.00225 -0.00344 137 4PY -0.00994 0.02640 -0.00696 0.01640 -0.00631 138 4PZ 0.01297 -0.02457 0.00349 0.01169 0.00044 139 5PX -0.02401 -1.87085 -0.31953 -0.21624 0.57738 140 5PY 0.49808 -0.65981 -0.62952 -0.11880 -0.23008 141 5PZ -0.65186 0.50594 -0.51643 -0.15509 -0.18568 142 6PX 0.37173 -0.00240 -0.48494 -0.00496 0.14999 143 6PY -0.15467 -0.69488 0.34896 -0.21192 -1.53489 144 6PZ -0.03377 -0.06928 0.37041 -0.45085 -0.61062 145 7D 0 0.03574 0.02969 0.02974 0.03239 -0.01180 146 7D+1 0.00798 0.02833 -0.02614 -0.02139 -0.02164 147 7D-1 -0.04918 -0.04716 -0.04000 0.00846 0.00290 148 7D+2 -0.03531 0.01205 0.01554 0.01449 0.02882 149 7D-2 0.00050 0.01285 -0.03687 0.00592 -0.01737 150 8D 0 0.01111 0.02134 0.00392 -0.00576 -0.00945 151 8D+1 -0.01097 0.00660 -0.01798 0.01944 -0.00532 152 8D-1 -0.00958 0.00440 0.01043 -0.00877 0.01342 153 8D+2 -0.00490 -0.02466 0.00911 -0.00787 -0.00602 154 8D-2 0.02019 -0.01714 -0.04332 0.01378 -0.01300 155 8 Cu 1S 0.02699 0.00572 -0.05302 0.00199 0.00250 156 2S 0.02043 0.02748 -0.17834 -0.03575 0.00104 157 3S -6.83656 -0.60770 4.99286 -4.54065 -0.49471 158 4PX 0.01715 -0.01410 0.00271 0.00864 -0.01320 159 4PY -0.03276 0.00135 -0.01213 -0.02804 -0.00552 160 4PZ -0.04479 -0.00058 -0.00081 -0.01589 -0.00413 161 5PX -0.60255 0.45401 0.46497 -0.33366 0.15341 162 5PY 1.24516 0.19373 -1.30844 1.13634 0.14469 163 5PZ 1.53124 0.10812 -0.39929 0.48931 0.08631 164 6PX -0.06659 0.42336 -0.08266 0.13877 -0.08294 165 6PY 0.90735 0.16715 -0.47584 0.52903 0.02353 166 6PZ -0.25224 -0.12816 0.95561 -0.66168 -0.07928 167 7D 0 -0.02206 -0.00545 -0.05302 0.01154 -0.00140 168 7D+1 0.04174 -0.01255 0.00032 0.01606 -0.00339 169 7D-1 -0.09092 -0.01486 -0.02375 -0.03081 -0.00822 170 7D+2 0.02109 0.04982 -0.08227 0.04541 0.01693 171 7D-2 0.03152 -0.06955 -0.05415 0.02665 -0.01651 172 8D 0 -0.01469 0.00108 -0.00906 0.00462 0.00155 173 8D+1 0.01318 -0.00476 -0.01693 -0.00100 0.00250 174 8D-1 -0.02160 -0.00601 0.03857 -0.00211 0.00328 175 8D+2 0.02021 0.00448 -0.03702 0.00637 -0.00903 176 8D-2 0.01431 0.00333 -0.02655 0.00350 0.01375 177 9 C 1S -0.01266 -0.00304 0.06053 -0.01780 -0.00114 178 2S -0.02948 0.00240 -0.04017 0.05634 0.00235 179 3S 0.69107 0.08987 -2.13558 0.37987 0.02599 180 4PX 0.01659 0.10900 -0.00390 -0.11206 0.81847 181 4PY 0.03327 0.02920 -0.04012 -0.31033 0.13733 182 4PZ -0.11171 -0.00544 0.11744 0.72737 0.17827 183 5PX -0.05759 0.42152 0.13330 0.23325 -1.97571 184 5PY -0.04520 0.04741 -0.28794 0.67155 -0.33109 185 5PZ 0.52442 0.08864 -0.40286 -1.42469 -0.42092 186 10 O 1S 0.00977 0.00172 -0.02450 0.00475 0.00020 187 2S -0.02396 -0.00273 0.06199 -0.00917 -0.00028 188 3S -0.12233 -0.03055 0.30653 -0.07788 -0.00502 189 4PX 0.01206 -0.04659 -0.03303 -0.00689 0.10769 190 4PY -0.00648 -0.01535 0.10329 -0.08324 0.01389 191 4PZ -0.06369 -0.01305 0.04894 0.09161 0.02232 192 5PX 0.01944 -0.09355 -0.06601 -0.01245 0.18039 193 5PY -0.05465 -0.02976 0.22690 -0.06872 0.03125 194 5PZ -0.09338 -0.02167 0.13377 0.07999 0.03693 141 142 143 144 145 V V V V V EIGENVALUES -- 0.52882 0.62694 0.63102 0.64245 0.67019 1 1 Cu 1S 0.04450 -0.13559 0.06520 -0.02408 -0.01245 2 2S 0.06035 -0.23639 0.13425 -0.04511 -0.02044 3 3S -1.25579 4.39306 -1.05392 0.65589 0.38739 4 4PX -0.00100 -0.00106 -0.00290 -0.01726 0.00400 5 4PY 0.00214 -0.00106 -0.00048 -0.00511 0.00098 6 4PZ 0.00217 0.00808 0.00213 -0.00457 0.00028 7 5PX -0.03888 0.00816 0.12291 0.73198 0.07982 8 5PY 0.18693 0.10231 0.01643 0.20774 0.02945 9 5PZ 0.07855 -0.35745 0.06383 0.14009 -0.00786 10 6PX 0.11529 -0.60424 0.55165 2.54164 1.60531 11 6PY -1.46398 1.77339 -0.65273 0.59916 0.63531 12 6PZ 0.37751 0.77050 -0.12579 0.58268 0.33709 13 7D 0 -0.00096 0.14958 0.11036 -0.02072 0.07513 14 7D+1 0.00634 -0.05927 -0.05657 -0.03068 0.19755 15 7D-1 -0.03382 0.11904 0.04326 0.02645 0.03696 16 7D+2 -0.00305 0.04090 -0.02452 -0.06749 -0.06002 17 7D-2 0.00853 -0.02714 0.02635 0.17857 0.03558 18 8D 0 0.01901 -0.22385 -0.13824 0.02101 -0.10399 19 8D+1 -0.00291 0.08880 0.07645 0.03516 -0.27595 20 8D-1 0.01003 -0.18201 -0.07081 -0.04112 -0.05293 21 8D+2 0.02751 -0.06241 0.04687 0.10111 0.08362 22 8D-2 0.00497 0.03754 -0.03084 -0.26498 -0.04366 23 2 Cu 1S -0.07564 0.01398 -0.01200 0.00208 0.00439 24 2S -0.23851 0.02638 -0.02684 0.00829 0.00277 25 3S 2.83054 1.61558 -0.62669 0.36537 0.51280 26 4PX 0.00903 0.00336 -0.00099 -0.00653 -0.01951 27 4PY -0.03996 -0.00934 -0.00588 -0.00255 -0.00457 28 4PZ -0.00874 -0.00594 0.00640 -0.00400 -0.00308 29 5PX 0.03271 -0.08360 0.10797 0.49592 0.49451 30 5PY 0.03150 0.00224 -0.03511 0.20471 0.08488 31 5PZ -0.21783 0.27291 -0.05602 0.16967 0.05970 32 6PX 0.21241 -0.03345 -0.10361 -0.96837 -0.62831 33 6PY 0.01365 -0.15764 0.14451 -0.20653 0.08391 34 6PZ -1.07207 0.11833 -0.23443 -0.12984 0.06521 35 7D 0 0.05620 -0.09472 -0.16810 0.04015 -0.06152 36 7D+1 0.02733 0.02992 0.07810 0.00821 -0.19177 37 7D-1 -0.09629 -0.11942 -0.00294 -0.04434 -0.04302 38 7D+2 0.13819 -0.15216 0.09891 0.04741 0.06536 39 7D-2 0.06797 -0.01713 -0.01239 -0.24021 -0.01229 40 8D 0 -0.08901 0.13398 0.25224 -0.06208 0.09069 41 8D+1 -0.04147 -0.03553 -0.11945 -0.00888 0.28425 42 8D-1 0.15626 0.16361 0.01996 0.06246 0.06477 43 8D+2 -0.20580 0.24560 -0.14758 -0.06502 -0.09608 44 8D-2 -0.10402 0.03766 0.01124 0.34904 0.02184 45 3 Cu 1S 0.00351 0.00526 -0.03800 0.03294 -0.00714 46 2S 0.00753 0.05780 -0.05918 0.02164 -0.03805 47 3S -0.71857 1.49381 0.15684 -1.14416 -0.85559 48 4PX -0.00183 0.00452 0.00510 -0.00922 -0.01201 49 4PY 0.00678 -0.00183 -0.00176 -0.00171 0.00788 50 4PZ 0.00020 -0.00920 -0.00323 0.00244 0.01091 51 5PX 0.03070 -0.07420 -0.08007 0.53951 0.34947 52 5PY 0.12298 0.10061 0.13699 0.11528 -0.01324 53 5PZ -0.01513 0.25993 0.15326 0.00263 -0.16538 54 6PX -0.19803 0.30599 0.05402 0.36849 0.12763 55 6PY 0.80734 -0.08846 -0.14263 -0.42427 -0.22265 56 6PZ 0.01569 0.22771 0.21791 0.22894 0.01244 57 7D 0 -0.02532 -0.03151 -0.04422 0.01277 -0.13094 58 7D+1 0.01942 -0.19550 -0.02964 0.02212 0.08066 59 7D-1 -0.00148 -0.03051 -0.12657 0.18617 -0.05368 60 7D+2 -0.02665 0.06871 0.10194 0.01841 -0.09470 61 7D-2 -0.00743 0.11287 -0.16726 -0.00374 -0.05100 62 8D 0 0.03793 0.04288 0.06613 -0.00297 0.18603 63 8D+1 -0.02917 0.26823 0.02857 -0.02131 -0.09963 64 8D-1 0.00542 0.03116 0.18720 -0.26043 0.07755 65 8D+2 0.04661 -0.10592 -0.13988 -0.03101 0.12608 66 8D-2 0.00537 -0.16431 0.21647 -0.01607 0.06936 67 4 Cu 1S 0.00129 0.00298 -0.05053 -0.01163 0.02653 68 2S 0.00489 0.05019 -0.07083 0.01877 0.07532 69 3S -0.66269 1.56658 0.54623 1.12662 0.51146 70 4PX -0.00068 -0.00011 -0.00483 -0.00644 -0.00158 71 4PY 0.00720 -0.00326 -0.00266 -0.00010 -0.00998 72 4PZ -0.00028 -0.00977 -0.00483 -0.00332 -0.01404 73 5PX -0.05584 -0.07975 0.13008 0.47622 0.18624 74 5PY 0.10964 0.11716 0.16004 0.04229 0.12404 75 5PZ -0.01538 0.27038 0.19849 0.12662 0.22525 76 6PX -0.01908 -0.35470 0.05626 0.21954 0.01824 77 6PY 0.78578 -0.16216 0.03557 0.56462 -0.00187 78 6PZ 0.01461 0.13828 0.09524 -0.17722 -0.04340 79 7D 0 -0.03286 0.09167 -0.00073 0.02457 0.17189 80 7D+1 -0.00761 0.19603 0.10754 0.07423 0.02192 81 7D-1 -0.00972 0.03628 -0.09406 -0.12877 0.07898 82 7D+2 -0.02194 0.05464 -0.08206 -0.00212 0.09144 83 7D-2 -0.00809 -0.06409 0.21020 -0.04809 0.00842 84 8D 0 0.04961 -0.12593 0.00658 -0.04457 -0.23619 85 8D+1 0.01202 -0.27190 -0.14252 -0.08556 -0.02017 86 8D-1 0.01941 -0.05795 0.14565 0.17178 -0.10839 87 8D+2 0.03440 -0.09157 0.10812 0.01771 -0.12313 88 8D-2 0.01966 0.09304 -0.28987 0.05617 -0.00960 89 5 Cu 1S -0.00887 0.15661 -0.03551 0.09105 0.04216 90 2S -0.01085 0.31089 -0.08150 0.13575 0.06162 91 3S -0.15620 -2.32318 -0.17772 -2.44815 -1.13018 92 4PX -0.00147 -0.00046 -0.00681 -0.00571 -0.00145 93 4PY 0.00417 0.00159 0.00930 0.00765 0.00304 94 4PZ 0.00432 -0.00317 0.00540 -0.00309 0.00142 95 5PX -0.01399 0.38663 0.11782 0.61739 0.23285 96 5PY 0.09510 -0.11727 -0.17365 -0.13588 0.11282 97 5PZ -0.00635 0.34608 -0.05172 0.30126 0.12195 98 6PX 0.08635 0.42210 -0.17795 0.09140 0.06516 99 6PY 0.16135 -0.31513 0.01834 -0.65133 -0.47388 100 6PZ 0.01451 0.37362 0.01227 -0.15972 -0.18787 101 7D 0 0.00653 -0.03957 0.12406 -0.07821 0.09921 102 7D+1 -0.00022 0.03949 -0.00429 -0.10863 -0.14270 103 7D-1 0.03619 0.02171 0.10639 -0.06929 0.07563 104 7D+2 -0.02057 0.03329 -0.04987 -0.14090 0.01207 105 7D-2 0.03662 -0.06479 0.04243 0.02492 -0.07551 106 8D 0 -0.01109 0.04841 -0.15845 0.12909 -0.14250 107 8D+1 0.00182 -0.08851 0.01187 0.11275 0.18380 108 8D-1 -0.04834 -0.01947 -0.14285 0.08848 -0.13266 109 8D+2 0.03354 -0.05909 0.05666 0.17043 -0.02560 110 8D-2 -0.04651 0.09275 -0.03251 -0.02503 0.09384 111 6 Cu 1S -0.04271 0.15481 -0.07257 0.02340 -0.00301 112 2S -0.09648 0.28078 -0.15312 0.04720 -0.00279 113 3S 0.34149 -3.25556 -0.64413 0.07530 0.10037 114 4PX -0.00073 0.00212 -0.00308 -0.00008 0.00294 115 4PY -0.00514 -0.00829 -0.00782 0.00042 0.00074 116 4PZ 0.00475 -0.00083 0.01937 -0.00506 0.00117 117 5PX 0.02918 -0.07058 0.06789 0.02168 0.12121 118 5PY -0.01673 0.69681 0.09567 0.04284 0.00428 119 5PZ -0.05573 -0.30634 -0.33764 0.09508 0.01586 120 6PX -0.10040 0.24356 0.01320 0.10488 -0.02999 121 6PY -0.17217 -0.08680 0.22124 0.00684 -0.07272 122 6PZ 0.49634 -0.74509 -0.14135 0.03605 -0.12195 123 7D 0 -0.00860 -0.05505 -0.02607 0.05028 -0.06691 124 7D+1 0.00398 0.02420 -0.00629 0.12686 -0.17179 125 7D-1 0.01581 -0.08548 0.14651 -0.02151 -0.06863 126 7D+2 0.01029 -0.01596 -0.12108 0.02051 0.05688 127 7D-2 0.00023 0.02082 -0.08932 -0.06058 -0.07803 128 8D 0 0.00688 0.06953 0.01856 -0.07043 0.09713 129 8D+1 -0.00474 -0.02477 0.00870 -0.19077 0.24507 130 8D-1 -0.02062 0.13788 -0.19289 0.02518 0.09401 131 8D+2 -0.01860 0.05782 0.16151 -0.02025 -0.07197 132 8D-2 -0.00286 -0.01699 0.11789 0.07789 0.08164 133 7 Cu 1S -0.01199 0.17044 -0.06087 -0.03760 -0.03538 134 2S -0.01823 0.33633 -0.11765 -0.03258 -0.05237 135 3S -0.19211 -2.66493 0.56687 1.76410 0.69638 136 4PX -0.00179 0.00047 0.00002 -0.00235 0.00345 137 4PY 0.00521 0.00140 0.00855 -0.01164 -0.00295 138 4PZ 0.00447 -0.00208 0.00684 -0.00136 -0.00207 139 5PX 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-0.00211 0.00517 159 4PY 0.00442 0.00551 -0.00264 -0.00248 0.00028 160 4PZ 0.00241 -0.00293 0.00403 -0.00328 0.00148 161 5PX 0.03239 -0.04091 0.09632 -0.12530 -0.11182 162 5PY -0.06652 0.07956 -0.06932 0.06161 0.02318 163 5PZ -0.05683 -0.00988 -0.29231 0.08890 -0.01798 164 6PX 0.04599 0.03355 -0.02992 -0.49533 -0.22972 165 6PY -0.01434 0.46980 -0.27028 -0.01312 0.00560 166 6PZ 0.06577 -0.71367 0.01691 -0.09681 -0.06746 167 7D 0 0.01825 -0.10796 0.08152 -0.05117 0.06303 168 7D+1 -0.00927 0.04765 -0.04420 -0.05426 0.13175 169 7D-1 0.00828 -0.02470 -0.09574 -0.01605 0.02858 170 7D+2 0.00407 -0.04870 0.00858 0.03337 -0.01056 171 7D-2 -0.00208 -0.00382 0.00432 -0.02575 -0.05290 172 8D 0 -0.01836 0.13474 -0.09287 0.06692 -0.08742 173 8D+1 0.00939 -0.05591 0.05115 0.07950 -0.18701 174 8D-1 -0.00751 0.02643 0.13726 0.02054 -0.04199 175 8D+2 -0.00439 0.07165 -0.01039 -0.04718 0.01700 176 8D-2 0.00233 0.00986 -0.00605 0.04604 0.07956 177 9 C 1S 0.03389 -0.00024 -0.00310 -0.00257 0.00839 178 2S -0.14584 -0.03273 0.17941 -0.01764 0.05646 179 3S -2.24867 -0.22497 -0.05264 0.02220 -0.04365 180 4PX -0.24338 -0.06181 0.01523 0.00127 -0.00590 181 4PY 0.97297 0.18913 -0.02594 0.00808 0.06641 182 4PZ 0.36648 0.13853 -0.04958 0.01280 0.02772 183 5PX 0.08926 0.06094 -0.02678 -0.19285 -0.14308 184 5PY -0.45745 -0.01030 -0.06595 0.00371 -0.13649 185 5PZ -0.02348 -0.21716 0.02453 -0.03454 -0.05802 186 10 O 1S -0.09408 -0.01010 0.00684 -0.00114 0.00124 187 2S 0.26686 0.01459 -0.00525 -0.00247 0.00933 188 3S 0.89290 0.12816 -0.07049 0.02464 -0.03888 189 4PX -0.02920 0.04919 -0.07070 -0.39804 -0.19638 190 4PY 0.08811 0.16267 0.12488 -0.10821 0.08340 191 4PZ 0.05163 -0.27105 -0.16728 -0.05772 0.03997 192 5PX -0.32184 -0.13526 0.13241 0.58385 0.30978 193 5PY 1.29457 0.01124 -0.28217 0.17401 -0.08736 194 5PZ 0.51237 0.49585 0.17713 0.09571 -0.04353 146 147 148 149 150 V V V V V EIGENVALUES -- 0.67251 0.67393 0.71060 0.71772 0.73450 1 1 Cu 1S -0.06543 -0.05848 -0.08657 -0.00815 -0.00072 2 2S -0.13625 -0.06911 -0.09279 -0.01004 -0.00029 3 3S 0.75781 3.00326 3.70598 0.33168 0.03864 4 4PX 0.00064 -0.00419 0.00090 -0.02102 0.02447 5 4PY 0.00099 0.02613 -0.00108 -0.00402 0.00559 6 4PZ -0.00649 -0.00213 0.00960 -0.00379 0.00506 7 5PX -0.07174 0.15911 0.10697 0.28074 -0.17100 8 5PY 0.18782 -0.89460 -0.10346 0.04303 -0.06815 9 5PZ 0.03085 -0.08227 -0.74998 0.01870 -0.04297 10 6PX -1.12964 0.07299 -0.18620 0.81551 0.49009 11 6PY 2.80129 -1.00165 0.72262 0.11032 0.00498 12 6PZ 0.22995 -0.02173 -0.75479 0.09607 0.06667 13 7D 0 0.00084 0.11638 0.04449 -0.05481 -0.02030 14 7D+1 -0.03403 -0.03916 -0.01135 -0.20255 -0.06315 15 7D-1 -0.05263 -0.08710 0.12676 0.00771 -0.04403 16 7D+2 -0.02782 -0.12180 0.14241 -0.02284 0.06686 17 7D-2 -0.00979 -0.03803 0.01555 0.17505 -0.13698 18 8D 0 0.00651 -0.19164 -0.05462 0.09697 0.03078 19 8D+1 0.04899 0.05773 0.00458 0.35337 0.09914 20 8D-1 0.05888 0.14404 -0.17402 -0.00637 0.06417 21 8D+2 0.04743 0.16675 -0.22338 0.03296 -0.09567 22 8D-2 0.01648 0.04754 -0.03035 -0.28322 0.18451 23 2 Cu 1S 0.02935 -0.01034 0.02533 0.00204 -0.00027 24 2S 0.01691 -0.05903 0.03030 0.00461 -0.00297 25 3S 3.40720 -0.85750 -0.49421 0.03569 -0.15212 26 4PX 0.00480 0.00089 -0.00294 -0.00063 -0.01496 27 4PY -0.00937 0.00990 -0.00101 -0.00033 -0.00074 28 4PZ 0.00099 -0.00942 0.01698 0.00056 -0.00247 29 5PX -0.06034 0.05270 0.14309 0.04189 0.49290 30 5PY 0.04731 -0.59723 -0.14253 0.01690 0.02357 31 5PZ -0.17387 0.13593 -0.70374 -0.00845 0.08243 32 6PX -0.26060 0.05915 0.03897 0.17935 -0.61094 33 6PY 1.17552 -0.55383 -0.13404 0.00521 -0.12845 34 6PZ 1.19806 0.45850 0.05946 0.03739 -0.11421 35 7D 0 0.06658 0.12278 -0.05672 -0.05194 -0.02901 36 7D+1 0.03792 -0.05614 0.02807 -0.15674 -0.09604 37 7D-1 -0.03769 0.09605 0.10196 -0.00847 -0.01301 38 7D+2 0.08119 -0.01432 0.06221 -0.00216 0.00701 39 7D-2 0.04258 -0.01411 -0.00623 0.08088 0.03559 40 8D 0 -0.10645 -0.19139 0.12612 0.10082 0.04456 41 8D+1 -0.05398 0.08735 -0.05161 0.30111 0.14805 42 8D-1 0.05895 -0.12217 -0.17682 0.02122 0.01196 43 8D+2 -0.11862 0.04862 -0.07345 -0.00028 0.00425 44 8D-2 -0.06368 0.02844 0.02050 -0.13720 -0.09185 45 3 Cu 1S 0.04013 0.01982 0.08579 -0.18234 -0.00938 46 2S 0.07373 0.06298 0.14885 -0.25951 0.01893 47 3S -0.78879 0.22791 -1.32306 5.39269 1.10740 48 4PX -0.00413 -0.00379 -0.00596 0.01471 0.01119 49 4PY -0.00062 0.01122 0.00397 0.00841 0.00512 50 4PZ 0.00135 -0.00425 0.00638 -0.01695 0.00429 51 5PX 0.07047 0.10548 0.22289 -0.93596 -0.36405 52 5PY 0.09410 -0.38719 0.21656 -0.34428 -0.07575 53 5PZ -0.09965 0.10375 -0.40200 0.65763 0.05706 54 6PX 0.46747 0.18305 0.18625 -0.74881 0.02606 55 6PY -0.78644 -0.27868 -0.02609 0.16809 -0.19563 56 6PZ -0.00188 0.05907 -0.39129 0.45923 0.23078 57 7D 0 0.01359 -0.12752 0.11658 0.03645 0.05617 58 7D+1 -0.04032 -0.06120 -0.11385 -0.07867 -0.05462 59 7D-1 0.02980 0.01901 0.01676 -0.04856 -0.05037 60 7D+2 0.04188 0.15943 -0.04690 -0.06625 0.04017 61 7D-2 0.01065 -0.04262 -0.12111 -0.04713 0.06559 62 8D 0 -0.01662 0.17508 -0.17803 -0.05881 -0.07606 63 8D+1 0.06081 0.10099 0.17580 0.12509 0.08561 64 8D-1 -0.04142 -0.02706 -0.01483 0.04044 0.07270 65 8D+2 -0.04682 -0.22280 0.05844 0.15049 -0.04613 66 8D-2 -0.01230 0.06869 0.15826 0.07724 -0.08775 67 4 Cu 1S 0.03771 0.01278 0.06787 0.19290 0.00637 68 2S 0.06250 0.04907 0.11869 0.28320 -0.02314 69 3S -1.08985 0.39558 -0.96899 -5.36828 -1.04712 70 4PX 0.00435 0.00110 0.00111 0.01061 0.01344 71 4PY 0.00425 0.01198 0.00739 -0.00248 -0.00087 72 4PZ 0.00685 -0.00345 0.00677 0.02159 -0.00112 73 5PX -0.13275 -0.00111 -0.09661 -0.73668 -0.31076 74 5PY 0.02074 -0.39486 0.09609 0.06708 -0.07554 75 5PZ -0.20722 0.11033 -0.40385 -0.97554 -0.16146 76 6PX -0.06239 -0.07924 0.03976 -0.43334 0.03788 77 6PY -0.90056 -0.35768 -0.01863 -0.32730 0.20592 78 6PZ -0.18059 0.05348 -0.37652 -0.74355 -0.20174 79 7D 0 -0.01870 -0.05949 0.14310 -0.04956 -0.09614 80 7D+1 0.02181 0.13550 -0.01699 -0.02191 -0.03646 81 7D-1 0.01601 0.10038 0.04576 0.03245 0.04782 82 7D+2 0.00143 0.05751 -0.14102 0.09227 -0.04788 83 7D-2 0.00235 0.10763 0.03212 0.00199 0.01743 84 8D 0 0.02534 0.07316 -0.22300 0.07194 0.13631 85 8D+1 -0.03474 -0.19655 0.01422 0.00981 0.05677 86 8D-1 -0.02304 -0.14810 -0.06054 -0.02177 -0.06715 87 8D+2 0.00856 -0.07032 0.19511 -0.17862 0.05426 88 8D-2 0.00207 -0.15107 -0.04071 -0.03850 -0.03097 89 5 Cu 1S 0.01824 0.08396 -0.02380 0.11739 0.03935 90 2S 0.03823 0.13613 -0.01925 0.20398 0.09765 91 3S -0.49734 -1.79274 0.71610 -3.31086 -0.67166 92 4PX -0.00234 -0.00384 0.00139 -0.00342 -0.00582 93 4PY -0.00447 -0.00149 -0.00080 -0.00071 0.01221 94 4PZ -0.00247 -0.00422 -0.00001 -0.00472 0.00243 95 5PX 0.07330 0.42921 -0.11799 0.50907 0.06386 96 5PY 0.12540 -0.16634 -0.12350 -0.23615 0.06341 97 5PZ 0.04435 0.22174 -0.23236 0.55710 0.10914 98 6PX 0.12100 0.29848 -0.01379 0.46647 0.13581 99 6PY -0.13987 0.42943 -0.06717 -0.25050 -0.38402 100 6PZ 0.17274 0.03347 0.12232 0.40635 0.04095 101 7D 0 -0.04485 -0.05889 -0.05515 0.16423 0.01316 102 7D+1 0.01560 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0.02535 122 6PZ -0.75909 -0.22582 0.19618 -0.05005 0.00878 123 7D 0 0.03110 -0.04484 -0.12554 0.02329 -0.01045 124 7D+1 0.02828 -0.00968 0.02334 0.11583 -0.03064 125 7D-1 -0.07363 -0.08909 0.04715 -0.00950 0.01085 126 7D+2 -0.06055 -0.22363 0.01066 0.04847 -0.03943 127 7D-2 0.00821 -0.06296 0.00568 -0.17759 0.10139 128 8D 0 -0.04293 0.06686 0.15218 -0.04067 0.01950 129 8D+1 -0.04250 0.01385 -0.02559 -0.18632 0.05507 130 8D-1 0.10460 0.11008 -0.02915 0.02059 -0.01174 131 8D+2 0.07927 0.30418 -0.00232 -0.08097 0.05144 132 8D-2 -0.00905 0.08669 -0.01002 0.29953 -0.13624 133 7 Cu 1S 0.02855 0.09373 -0.01235 -0.10539 -0.03771 134 2S 0.05254 0.15315 -0.00064 -0.18231 -0.09456 135 3S -0.89346 -2.03802 0.31645 3.13070 0.67329 136 4PX 0.00394 0.00504 -0.00015 -0.00373 -0.00047 137 4PY -0.00228 0.00122 -0.00215 0.00002 -0.01436 138 4PZ -0.00058 -0.00208 -0.00143 0.00240 -0.00341 139 5PX -0.20097 -0.44530 0.15227 0.51339 0.12786 140 5PY 0.08949 -0.34062 -0.10451 0.38672 -0.03948 141 5PZ 0.01091 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0.00775 -0.00256 5 4PY 0.00520 -0.00722 0.01114 0.00200 0.00556 6 4PZ 0.01005 -0.00546 0.01044 -0.00030 -0.00047 7 5PX 0.14205 0.31779 0.14700 0.03302 0.04589 8 5PY 0.33364 0.06857 0.06416 -0.05927 -0.33107 9 5PZ -0.70591 0.24734 -0.37548 0.04954 0.01155 10 6PX 0.60811 0.57452 -0.55042 0.01159 0.13671 11 6PY -1.60833 0.10225 1.43960 -0.27930 -0.23155 12 6PZ -0.38576 0.04456 0.43351 -0.08600 -0.28907 13 7D 0 -0.03120 0.02749 0.04160 -0.01827 -0.02641 14 7D+1 0.00311 0.11518 0.01071 -0.03581 0.00488 15 7D-1 0.03143 0.05568 -0.10717 -0.00807 0.00665 16 7D+2 -0.12153 0.02041 -0.10527 0.02008 -0.05755 17 7D-2 -0.04493 0.02621 -0.00656 -0.06550 -0.00679 18 8D 0 0.05729 -0.05484 -0.04451 0.02784 0.02584 19 8D+1 -0.01441 -0.19570 -0.03937 0.06921 -0.01312 20 8D-1 -0.06835 -0.09278 0.18912 0.01179 0.01398 21 8D+2 0.16574 -0.01842 0.14537 -0.02591 0.07787 22 8D-2 0.06025 -0.03231 -0.00560 0.08296 0.00572 23 2 Cu 1S -0.01002 0.01118 -0.02245 0.00069 -0.00292 24 2S -0.02623 0.00636 0.04730 -0.02292 -0.09743 25 3S 2.20776 -0.53245 0.99146 -0.07342 -0.56049 26 4PX 0.01289 0.00278 -0.00595 0.00441 0.00218 27 4PY -0.05432 0.00229 0.02325 -0.00296 0.00445 28 4PZ -0.01390 -0.00082 0.02059 -0.00597 -0.01954 29 5PX -0.01461 0.26834 0.09656 0.32360 0.02110 30 5PY 0.59956 -0.00806 0.32362 -0.12365 -0.93433 31 5PZ -0.25478 0.12513 -0.22885 0.18563 0.50571 32 6PX 0.12900 -0.05760 0.04500 -0.11964 0.05703 33 6PY 0.02663 0.03427 -0.08799 -0.01890 -0.04973 34 6PZ -0.95044 0.08823 0.26456 -0.08894 -0.04031 35 7D 0 -0.11278 0.03066 -0.11452 0.05848 0.08376 36 7D+1 0.00924 -0.05863 0.05948 0.09082 -0.06238 37 7D-1 0.05702 -0.01667 0.05955 0.05725 0.15408 38 7D+2 -0.02970 -0.04670 0.10922 -0.04308 0.07637 39 7D-2 -0.00667 0.06682 0.06134 0.05704 -0.01710 40 8D 0 0.18182 -0.04664 0.18171 -0.09948 -0.18112 41 8D+1 -0.03109 0.09410 -0.09000 -0.13352 0.10715 42 8D-1 -0.05410 0.02600 -0.12286 -0.08381 -0.25059 43 8D+2 0.00580 0.07984 -0.18327 0.05968 -0.14703 44 8D-2 -0.01020 -0.09148 -0.09231 -0.09100 0.01815 45 3 Cu 1S 0.09204 0.06475 0.07534 -0.05081 -0.01804 46 2S 0.13416 0.09737 0.05041 -0.06471 -0.03680 47 3S -2.40541 -2.08174 -3.09742 1.70389 0.44643 48 4PX -0.01117 -0.00674 -0.02177 0.00590 0.00924 49 4PY -0.00012 0.00910 0.00362 0.00478 0.00397 50 4PZ 0.01407 0.00368 0.00800 -0.00331 0.00009 51 5PX 0.47808 0.58356 0.75107 -0.45270 -0.02783 52 5PY 0.18223 -0.10118 -0.29527 0.08957 -0.25232 53 5PZ -0.54624 -0.01189 -0.55000 0.08280 0.12859 54 6PX 0.08528 0.37697 0.49521 0.01799 -0.06272 55 6PY 0.77686 0.10826 -0.26553 -0.18493 0.15434 56 6PZ -0.34252 -0.00999 -0.34579 0.50438 -0.05869 57 7D 0 0.14265 -0.05100 -0.02467 -0.09456 0.08513 58 7D+1 0.05915 0.05053 -0.05222 -0.07237 0.07162 59 7D-1 -0.10886 -0.09889 0.02524 0.08728 0.09439 60 7D+2 0.06690 0.01503 -0.13739 -0.03446 -0.01252 61 7D-2 0.02026 0.07042 -0.00463 -0.09671 -0.11248 62 8D 0 -0.21553 0.09657 0.05470 0.12314 -0.13311 63 8D+1 -0.06044 -0.08743 0.10419 0.11433 -0.11983 64 8D-1 0.17934 0.15574 -0.03709 -0.13231 -0.17330 65 8D+2 -0.10794 -0.06012 0.21796 0.07405 0.00066 66 8D-2 -0.02141 -0.10451 0.03438 0.13487 0.18228 67 4 Cu 1S 0.06391 -0.11119 0.04026 0.03120 -0.04422 68 2S 0.09614 -0.14423 0.00951 0.04319 -0.07800 69 3S -1.39012 3.63139 -1.84051 -0.94699 1.12367 70 4PX 0.00340 -0.01088 0.01130 -0.00075 -0.01057 71 4PY -0.00064 -0.01393 0.00399 -0.00422 0.00223 72 4PZ 0.01381 -0.01225 0.00925 0.00197 -0.00458 73 5PX -0.09969 0.63060 -0.07686 -0.25907 0.20705 74 5PY 0.19307 0.50936 -0.33400 -0.20768 -0.14893 75 5PZ -0.54505 0.60836 -0.55001 -0.02977 0.20819 76 6PX -0.13174 0.44521 0.14213 0.13518 -0.02423 77 6PY 0.70583 -0.02845 -0.37684 0.38867 0.02033 78 6PZ -0.27251 0.41235 -0.42147 -0.37025 0.17231 79 7D 0 0.10987 0.03193 0.01537 0.06480 -0.00962 80 7D+1 -0.07215 -0.02350 -0.01504 -0.10797 -0.11670 81 7D-1 -0.06769 0.12932 0.06199 -0.10048 0.14032 82 7D+2 0.05171 -0.02838 -0.12494 0.10437 -0.08070 83 7D-2 0.07407 0.01158 -0.09568 0.03020 0.04473 84 8D 0 -0.18884 -0.05952 -0.02869 -0.07971 0.01163 85 8D+1 0.09240 0.06147 0.01414 0.15954 0.19685 86 8D-1 0.10721 -0.18752 -0.10910 0.13670 -0.23972 87 8D+2 -0.06236 0.04706 0.23112 -0.17744 0.11583 88 8D-2 -0.11043 0.01719 0.14871 -0.06902 -0.06904 89 5 Cu 1S 0.02537 -0.02636 -0.00282 0.05833 0.02667 90 2S 0.07991 -0.06383 -0.00831 0.12182 0.06270 91 3S -0.49701 0.13937 0.51510 -1.11538 -0.55097 92 4PX -0.00032 -0.00273 -0.00058 -0.00780 -0.00401 93 4PY 0.00061 -0.00094 -0.00581 -0.00062 -0.00337 94 4PZ 0.00058 -0.00257 -0.00307 0.00233 -0.00019 95 5PX 0.12718 0.07719 0.05020 0.14844 0.11508 96 5PY 0.13170 0.04821 0.01972 -0.00088 0.00022 97 5PZ -0.16699 0.02260 -0.11362 0.12989 -0.04193 98 6PX 0.22947 -0.18336 -0.04571 0.10922 0.13065 99 6PY 0.01086 -0.06784 0.11247 -0.06300 -0.08166 100 6PZ 0.10713 -0.17067 -0.01285 0.19345 0.12797 101 7D 0 0.10756 0.03353 0.04990 -0.07975 0.01591 102 7D+1 0.07309 -0.08627 0.00789 0.00371 0.05652 103 7D-1 -0.06673 0.03766 0.19150 0.02005 -0.12048 104 7D+2 0.10149 0.06908 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0.01797 0.05762 183 5PX -0.02832 -0.09599 -0.14401 -0.32502 0.18744 184 5PY -0.16364 -0.08123 0.32891 -0.07662 0.12022 185 5PZ 0.20091 -0.02870 0.02985 -0.22571 -0.82799 186 10 O 1S 0.00563 -0.00078 -0.00177 0.00076 0.00178 187 2S -0.05193 0.00002 0.03390 -0.00814 -0.01966 188 3S 0.20070 -0.01907 -0.06551 0.02248 0.05148 189 4PX 0.02033 -0.09226 -0.02217 -0.17657 0.06718 190 4PY -0.22966 0.03318 -0.04717 -0.00396 0.16930 191 4PZ 0.01636 0.02662 -0.09880 -0.10317 -0.37786 192 5PX -0.00933 0.16058 0.09414 0.36097 -0.15499 193 5PY 0.33397 0.01190 -0.08589 0.02754 -0.29709 194 5PZ -0.09407 -0.01316 0.10160 0.22231 0.80994 156 157 158 159 160 V V V V V EIGENVALUES -- 0.81094 0.82424 0.85182 0.86129 0.86859 1 1 Cu 1S 0.03564 -0.14848 -0.05623 -0.03998 0.01314 2 2S 0.04036 -0.17929 -0.08835 -0.00508 -0.01670 3 3S -1.33825 4.84152 1.52722 4.29236 -0.65524 4 4PX -0.00629 -0.00202 -0.00304 -0.00262 0.00025 5 4PY -0.00242 -0.00423 0.01110 -0.00534 0.01440 6 4PZ -0.00577 0.01316 0.00360 0.02160 -0.01600 7 5PX -0.06441 0.11966 0.16083 0.20299 -0.07322 8 5PY 0.06684 -0.37122 -0.72531 -0.14693 -0.22450 9 5PZ 0.21261 -0.60156 -0.23423 -0.96557 0.60138 10 6PX 0.94660 -0.06733 0.58906 -0.07638 -0.25563 11 6PY 0.17461 0.30981 -0.84760 0.33292 0.03880 12 6PZ 0.42233 -0.79421 -1.32706 -1.14586 0.81718 13 7D 0 0.02963 -0.11863 -0.15735 -0.04386 -0.01438 14 7D+1 0.00399 0.05145 0.07551 0.05828 -0.00547 15 7D-1 0.05330 -0.06397 0.00938 -0.07524 0.04783 16 7D+2 -0.04470 -0.00989 0.11064 0.13671 0.00666 17 7D-2 0.10243 0.03328 0.04901 0.07489 -0.00692 18 8D 0 -0.04661 0.16534 0.24166 0.09369 0.00096 19 8D+1 -0.00876 -0.08404 -0.12537 -0.10868 0.01754 20 8D-1 -0.09354 0.16062 0.00289 0.12094 -0.06342 21 8D+2 0.06957 0.02201 -0.20265 -0.25109 0.01981 22 8D-2 -0.13561 -0.06062 -0.09035 -0.13511 0.01888 23 2 Cu 1S -0.00547 0.06289 0.00191 -0.07935 -0.07388 24 2S -0.00504 0.10133 -0.07502 -0.17541 -0.04692 25 3S 0.15155 -1.30325 -1.17878 1.61845 5.07236 26 4PX 0.00415 -0.00295 0.00065 0.00299 0.00658 27 4PY -0.00285 0.02135 -0.00779 -0.01139 -0.03964 28 4PZ -0.00038 0.00041 0.00621 -0.00459 0.00262 29 5PX 0.20335 0.01591 0.25847 0.44229 0.00668 30 5PY 0.13517 0.00892 -0.82795 -1.51550 0.38876 31 5PZ 0.12634 -0.02676 -0.59177 -0.76803 -0.40300 32 6PX -0.28231 0.05385 0.01609 0.19447 -0.10933 33 6PY 0.02291 -0.29343 0.00169 0.33851 0.67221 34 6PZ -0.04540 0.40323 -0.26917 -0.81366 0.07147 35 7D 0 0.03522 0.01948 0.06671 -0.01494 0.11622 36 7D+1 0.08728 -0.00937 -0.02445 0.04234 -0.01622 37 7D-1 0.01038 0.05796 -0.01967 -0.00018 -0.15411 38 7D+2 -0.04278 -0.06434 -0.03476 0.16417 -0.05395 39 7D-2 0.05431 -0.02823 -0.00423 0.06885 0.00879 40 8D 0 -0.06420 -0.01605 -0.11023 -0.00319 -0.27300 41 8D+1 -0.16013 0.03527 0.03822 -0.09761 0.01874 42 8D-1 -0.00492 -0.19218 0.02883 0.07265 0.34930 43 8D+2 0.07253 0.15561 0.03479 -0.38667 0.01646 44 8D-2 -0.09527 0.08237 -0.00222 -0.17005 -0.05885 45 3 Cu 1S -0.00597 0.08602 -0.00045 0.03827 0.02978 46 2S -0.00164 0.11056 -0.01255 0.03067 0.04480 47 3S -0.11341 -2.13202 -0.68583 -1.33354 -1.05421 48 4PX 0.00148 -0.00455 -0.00923 -0.00923 -0.00185 49 4PY -0.00787 -0.00154 0.00512 -0.01165 -0.00995 50 4PZ 0.00069 0.01464 -0.00238 0.00015 0.00208 51 5PX 0.08452 0.38702 0.11516 0.02334 0.18474 52 5PY 0.19823 -0.25639 -0.16758 0.29339 0.31670 53 5PZ 0.16196 -0.65786 -0.14154 -0.45087 0.14592 54 6PX -0.14445 0.46771 0.10171 0.22040 0.07202 55 6PY -0.05202 -0.36955 0.19623 0.54569 -0.01023 56 6PZ -0.13655 -0.36147 -0.17747 -0.01545 -0.02507 57 7D 0 0.04975 -0.03187 -0.07778 -0.05013 -0.04739 58 7D+1 0.06767 -0.02226 0.07172 -0.01437 -0.08950 59 7D-1 -0.09055 -0.01303 -0.07197 0.08263 -0.05127 60 7D+2 0.05506 -0.06689 0.03079 0.07644 -0.14730 61 7D-2 0.03121 -0.07168 -0.06751 0.03748 -0.02140 62 8D 0 -0.05989 0.03936 0.12275 0.04609 0.12392 63 8D+1 -0.11808 0.06615 -0.12030 0.03156 0.14923 64 8D-1 0.14974 0.02797 0.13176 -0.14498 0.08793 65 8D+2 -0.10342 0.09745 -0.05036 -0.12653 0.26741 66 8D-2 -0.06495 0.13991 0.13031 -0.05704 0.03015 67 4 Cu 1S -0.03748 0.08996 0.01068 0.03580 0.01252 68 2S -0.04396 0.11619 0.00641 0.02864 0.01469 69 3S 1.44752 -2.21618 -0.80083 -1.29179 -0.78008 70 4PX -0.00320 -0.00020 0.00641 0.01246 0.00455 71 4PY 0.00701 0.00276 0.00711 -0.00624 -0.00832 72 4PZ -0.00977 0.01477 0.00175 0.00289 0.00199 73 5PX 0.22755 -0.01422 0.00750 0.05210 -0.29134 74 5PY 0.02705 -0.39331 -0.16383 0.28420 0.22193 75 5PZ 0.32720 -0.74404 -0.19641 -0.43072 0.09542 76 6PX -0.08578 -0.17535 -0.17027 -0.26138 0.02582 77 6PY 0.08600 -0.49938 0.11002 0.39658 -0.04051 78 6PZ 0.33972 -0.44818 -0.16708 -0.15072 -0.03517 79 7D 0 -0.01450 -0.02813 -0.09288 -0.03132 -0.00170 80 7D+1 0.03891 0.01981 0.01908 0.03674 0.05164 81 7D-1 0.09293 0.03320 -0.04898 0.08597 -0.02385 82 7D+2 -0.01589 -0.11212 -0.01481 0.08005 -0.16429 83 7D-2 -0.04695 -0.01481 0.10077 -0.00542 -0.08466 84 8D 0 0.01730 0.01533 0.14895 0.01755 0.03933 85 8D+1 -0.04457 -0.04247 -0.02818 -0.03913 -0.10387 86 8D-1 -0.14673 -0.06569 0.08944 -0.14814 0.04124 87 8D+2 0.03369 0.20149 0.03582 -0.13084 0.29350 88 8D-2 0.08622 0.00256 -0.18486 0.00732 0.16312 89 5 Cu 1S -0.00184 0.03070 -0.00315 -0.05795 0.00196 90 2S 0.00326 0.07842 0.01607 -0.10982 -0.05056 91 3S -0.14932 0.00728 0.26047 0.13572 -1.61979 92 4PX 0.00284 -0.00417 -0.00150 -0.01034 -0.00942 93 4PY -0.00101 0.00600 0.00056 -0.01209 -0.00160 94 4PZ -0.00471 0.00348 0.00643 0.00567 -0.00868 95 5PX -0.01635 0.17699 -0.08999 -0.03481 0.39505 96 5PY 0.03790 -0.09780 -0.06415 0.05648 0.22351 97 5PZ 0.04281 -0.26152 -0.19501 -0.26266 0.31544 98 6PX 0.01381 0.03693 -0.07651 -0.03695 0.35168 99 6PY -0.15366 0.11818 -0.07031 -0.26154 0.11724 100 6PZ -0.19290 0.11708 0.16955 0.39561 0.01709 101 7D 0 0.06434 -0.05509 0.04823 -0.16349 0.02607 102 7D+1 0.05606 0.02885 -0.05628 0.08643 -0.09543 103 7D-1 -0.13804 0.03898 0.05992 0.08757 -0.00601 104 7D+2 -0.01490 0.09320 0.14891 -0.07183 0.07825 105 7D-2 0.18921 -0.12250 -0.14692 -0.05736 0.02246 106 8D 0 -0.09193 0.10631 -0.09622 0.28712 -0.05475 107 8D+1 -0.08780 -0.04853 0.11426 -0.13692 0.15367 108 8D-1 0.23881 -0.07254 -0.11647 -0.14714 -0.00424 109 8D+2 0.01764 -0.17069 -0.25528 0.15986 -0.15071 110 8D-2 -0.31488 0.21464 0.25230 0.11710 -0.06086 111 6 Cu 1S 0.00797 -0.08158 0.07094 0.05601 -0.10556 112 2S -0.00194 -0.08438 0.15580 0.09108 -0.18022 113 3S -0.60421 2.97997 -0.27712 -2.11921 1.98610 114 4PX 0.00456 -0.00148 -0.00090 0.00246 0.00061 115 4PY -0.00103 0.01125 0.00929 -0.01469 0.00194 116 4PZ 0.00214 0.00027 -0.00290 -0.00011 -0.00519 117 5PX -0.07037 0.00410 0.15210 -0.08061 -0.00337 118 5PY 0.10681 -0.50144 -0.41907 0.61510 -0.28869 119 5PZ -0.03486 0.22385 -0.31724 -0.18647 0.32716 120 6PX 0.11269 0.00592 -0.21485 -0.05920 0.13553 121 6PY 0.06032 -0.19519 0.49872 0.13175 -0.63147 122 6PZ -0.04781 0.11018 0.31659 -0.04104 -0.02201 123 7D 0 -0.05227 0.11590 -0.17107 0.07610 -0.06587 124 7D+1 -0.08794 -0.09745 0.06004 -0.03734 0.03242 125 7D-1 0.01579 0.03533 0.00689 0.00004 0.06328 126 7D+2 0.01006 -0.09973 -0.03290 -0.05157 0.11143 127 7D-2 0.09188 -0.04072 -0.01651 -0.01788 0.04007 128 8D 0 0.09109 -0.16711 0.24889 -0.12549 0.12278 129 8D+1 0.15898 0.14213 -0.08541 0.06259 -0.06596 130 8D-1 -0.02855 -0.02744 -0.01476 0.02040 -0.11064 131 8D+2 -0.01778 0.15240 0.05038 0.11246 -0.22442 132 8D-2 -0.14296 0.05676 0.02853 0.03586 -0.08236 133 7 Cu 1S -0.01238 0.02679 -0.00630 -0.06339 0.00545 134 2S -0.04543 0.06485 0.00905 -0.11902 -0.04431 135 3S 0.04353 -0.08440 0.39554 0.14352 -1.77237 136 4PX 0.00006 0.00144 -0.00094 0.01009 0.01159 137 4PY 0.00280 0.00776 0.00100 -0.00760 0.00269 138 4PZ 0.00359 0.00546 0.00656 0.01038 -0.00461 139 5PX -0.02995 -0.07056 0.17363 0.13111 -0.54397 140 5PY -0.02362 -0.15486 -0.01584 0.07020 0.03717 141 5PZ 0.12341 -0.29488 -0.16642 -0.24864 0.16690 142 6PX -0.03210 -0.06189 0.03433 0.02140 -0.37970 143 6PY 0.10901 0.01692 -0.00454 -0.33885 -0.04005 144 6PZ 0.10916 0.02626 0.23205 0.30996 -0.12180 145 7D 0 -0.02180 -0.06782 0.05839 -0.18937 0.08111 146 7D+1 0.02118 0.01041 0.00467 -0.01615 0.08879 147 7D-1 0.15254 0.15431 0.15076 0.07490 0.01579 148 7D+2 -0.12649 -0.03528 -0.00812 -0.06799 0.05139 149 7D-2 0.03257 0.15458 0.17761 -0.01601 0.02103 150 8D 0 0.02612 0.12199 -0.11768 0.32548 -0.14296 151 8D+1 -0.01362 -0.01942 -0.00790 0.02830 -0.14316 152 8D-1 -0.24908 -0.27366 -0.27625 -0.12871 -0.02909 153 8D+2 0.20650 0.05402 0.01805 0.15846 -0.12104 154 8D-2 -0.04442 -0.26890 -0.29731 0.03986 -0.02871 155 8 Cu 1S -0.00864 0.08202 -0.01796 -0.04609 0.01784 156 2S -0.01183 0.16534 -0.05448 -0.12502 0.04514 157 3S 0.52716 -2.25628 1.01591 -0.42435 -0.56391 158 4PX 0.00299 0.00613 -0.00282 0.00199 -0.00045 159 4PY 0.00513 -0.00945 -0.00242 -0.00340 -0.00185 160 4PZ 0.00253 -0.00971 0.01652 -0.00398 0.00380 161 5PX 0.01242 -0.12198 0.09510 -0.04231 -0.03134 162 5PY -0.09200 0.27453 -0.12654 0.18854 0.00442 163 5PZ -0.07549 0.27774 -0.27024 0.02856 0.10479 164 6PX -0.20347 -0.19428 0.00232 -0.00329 -0.02301 165 6PY -0.13928 0.38614 -0.36620 0.02660 0.32512 166 6PZ -0.16569 0.50829 0.39864 0.21105 -0.16754 167 7D 0 0.04000 0.21897 -0.21650 0.04383 0.05504 168 7D+1 0.15424 -0.11830 0.10898 -0.00617 -0.04352 169 7D-1 -0.05386 0.01809 0.12060 -0.01407 -0.11585 170 7D+2 0.15554 -0.12535 0.12316 0.03360 -0.18512 171 7D-2 -0.29584 -0.13654 0.03745 -0.00177 -0.06873 172 8D 0 -0.06844 -0.35991 0.36920 -0.04666 -0.11961 173 8D+1 -0.26522 0.19741 -0.18406 0.00744 0.08673 174 8D-1 0.09421 -0.03555 -0.23052 0.01511 0.20799 175 8D+2 -0.26548 0.22072 -0.22201 -0.03316 0.33009 176 8D-2 0.50366 0.23627 -0.06453 0.01783 0.12345 177 9 C 1S -0.00050 0.01621 -0.00769 -0.02600 -0.02399 178 2S 0.03713 -0.58439 0.23207 1.11410 1.01456 179 3S -0.00318 0.91917 -0.70605 -2.53400 -1.75006 180 4PX 0.01116 -0.04689 -0.00651 0.07974 0.06640 181 4PY -0.00279 0.15106 0.04256 -0.30868 -0.25211 182 4PZ -0.01388 0.12924 -0.00579 -0.13674 -0.11733 183 5PX -0.29037 -0.02338 0.04496 0.08050 -0.01840 184 5PY -0.08387 0.19729 -0.31063 -0.27674 -0.14873 185 5PZ 0.02096 -0.30359 -0.00408 -0.26215 0.23654 186 10 O 1S 0.00069 -0.00510 0.00237 0.00536 0.00500 187 2S 0.00253 -0.02784 -0.02006 0.05639 0.06322 188 3S -0.01285 0.03800 0.04355 0.00422 -0.01289 189 4PX -0.16687 -0.03106 -0.00240 0.06799 0.03372 190 4PY -0.03909 0.14514 -0.04729 -0.19400 -0.16708 191 4PZ 0.00870 -0.09185 0.02004 -0.19250 -0.01583 192 5PX 0.34715 -0.00844 -0.00061 -0.02797 0.04198 193 5PY 0.06016 -0.02386 0.12450 -0.02177 -0.04834 194 5PZ -0.02572 0.31749 -0.03685 0.21703 -0.18667 161 162 163 164 165 V V V V V EIGENVALUES -- 0.88627 0.90079 0.90235 0.94173 0.96076 1 1 Cu 1S -0.00434 0.00101 0.00083 0.00315 -0.00298 2 2S 0.08391 -0.00564 -0.00122 -0.00860 0.00230 3 3S 4.01214 -0.16090 -0.07492 -0.45977 0.18312 4 4PX -0.00470 0.01169 0.00395 -0.00229 -0.02022 5 4PY 0.01612 0.00251 0.00114 0.00044 -0.00519 6 4PZ 0.01772 0.00176 0.00180 0.02976 0.00098 7 5PX 0.29999 -0.78038 -0.38750 -0.05604 0.70959 8 5PY -0.89475 -0.04914 -0.02671 -0.07669 0.17458 9 5PZ -0.97254 -0.09548 -0.04971 -0.33876 0.03338 10 6PX 0.41251 -2.35738 -1.36786 -0.23172 1.46040 11 6PY -1.65852 -0.04037 -0.06644 -0.17237 0.00243 12 6PZ -1.02968 -0.34900 -0.19931 0.38940 0.19631 13 7D 0 0.16230 -0.02173 0.00678 -0.01910 -0.02176 14 7D+1 0.01785 -0.05759 0.01955 0.00257 -0.06160 15 7D-1 -0.22665 -0.02201 -0.00049 0.04408 -0.01669 16 7D+2 0.13153 0.03163 0.01878 -0.04233 0.01107 17 7D-2 0.09805 -0.03124 -0.05632 -0.02148 -0.01547 18 8D 0 -0.26744 0.03675 -0.00189 0.04285 0.03527 19 8D+1 -0.04041 0.09835 0.00419 0.00044 0.08530 20 8D-1 0.40088 0.04815 0.00610 -0.06056 0.02847 21 8D+2 -0.25713 -0.08469 -0.03794 0.11528 -0.00499 22 8D-2 -0.17867 0.10751 0.08113 0.05654 0.00778 23 2 Cu 1S -0.00463 -0.00230 -0.00329 -0.01813 0.00262 24 2S -0.13593 -0.00754 -0.00355 0.07780 0.01432 25 3S -3.42736 -0.00044 0.19220 2.53305 0.05752 26 4PX -0.00178 0.00454 0.03313 -0.00076 0.01300 27 4PY 0.02350 0.00179 0.00574 -0.00416 0.00455 28 4PZ -0.01059 0.00170 0.00531 -0.01140 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0.40229 -0.20629 -0.03235 -0.20901 89 5 Cu 1S -0.02574 -0.08256 0.00483 0.06531 -0.00337 90 2S -0.04558 -0.10398 0.01335 0.12241 -0.03849 91 3S 0.05348 3.01708 0.61833 -0.66740 -0.83350 92 4PX 0.00723 0.01451 0.00516 -0.00108 -0.00350 93 4PY 0.00109 0.00193 0.00142 0.00189 -0.00034 94 4PZ -0.00677 0.00676 0.00617 -0.00510 -0.00241 95 5PX -0.12078 -0.69710 -0.27224 0.19173 0.28362 96 5PY -0.29295 0.03458 -0.24572 0.23137 -0.12586 97 5PZ -0.07037 -0.42310 -0.00944 0.12945 0.05876 98 6PX 0.13714 -0.18076 0.19650 0.15532 0.08141 99 6PY 0.12232 0.46897 0.14217 0.12363 -0.22461 100 6PZ -0.03110 0.10763 0.21889 0.00806 -0.19687 101 7D 0 0.08227 0.20290 -0.03398 -0.13251 0.03901 102 7D+1 -0.03697 -0.08281 -0.07532 0.13531 -0.08485 103 7D-1 -0.10415 -0.01195 -0.27192 -0.12818 0.10595 104 7D+2 0.01545 0.10240 0.13198 -0.07997 0.04950 105 7D-2 -0.03235 -0.00353 0.04416 0.09626 -0.03648 106 8D 0 -0.13984 -0.37509 0.05310 0.26332 -0.07389 107 8D+1 0.07881 0.18782 0.12936 -0.27926 0.15658 108 8D-1 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0.38333 11 6PY -3.23113 -1.74455 0.03896 -0.21594 0.49235 12 6PZ -1.27189 0.84301 0.16394 -0.48562 1.17395 13 7D 0 0.02736 -0.05015 0.06908 -0.04492 0.10921 14 7D+1 -0.02677 -0.01756 0.17139 0.03039 -0.07553 15 7D-1 0.09156 -0.01349 0.03361 -0.01934 0.06099 16 7D+2 0.01083 -0.09219 -0.01756 -0.01078 -0.06438 17 7D-2 -0.01565 -0.03495 -0.01802 -0.16486 -0.07995 18 8D 0 -0.01262 0.09601 -0.13753 0.10890 -0.22933 19 8D+1 0.04348 0.06930 -0.31232 -0.07781 0.16546 20 8D-1 -0.13674 -0.04899 -0.06184 0.01741 -0.13538 21 8D+2 0.05796 0.28079 0.03471 0.00525 0.20446 22 8D-2 0.05006 0.11722 0.05639 0.25386 0.16470 23 2 Cu 1S 0.00717 0.00203 -0.00610 0.02138 -0.04746 24 2S -0.05200 0.17694 -0.00145 0.01006 -0.01381 25 3S -1.26032 2.95474 0.29714 -0.89493 2.87716 26 4PX 0.00730 0.00623 -0.00396 0.00692 0.00331 27 4PY -0.00645 -0.03953 -0.00282 0.00475 -0.01324 28 4PZ -0.01223 0.02363 0.00287 -0.00722 0.02017 29 5PX 0.14786 -0.35817 0.04680 0.00301 -0.12389 30 5PY -0.80483 1.60192 0.03948 -0.01856 0.59118 31 5PZ -0.46965 0.07939 0.01414 -0.01488 0.06218 32 6PX 0.00897 -0.22795 0.12834 -0.27237 -0.30067 33 6PY -0.05279 0.29028 0.03400 -0.06250 0.23923 34 6PZ -0.46134 -0.40489 0.12446 -0.52614 0.26856 35 7D 0 -0.09214 -0.10687 0.05977 -0.06488 0.30157 36 7D+1 -0.00488 0.01849 0.14712 0.05449 -0.12701 37 7D-1 0.16143 -0.06598 0.04291 -0.06023 0.06858 38 7D+2 -0.03014 -0.05835 -0.04826 0.02189 -0.02647 39 7D-2 -0.06605 -0.02861 0.05572 -0.15056 -0.09551 40 8D 0 0.20129 0.20211 -0.12446 0.15856 -0.69611 41 8D+1 0.01707 -0.03051 -0.28723 -0.12370 0.29084 42 8D-1 -0.37783 0.18031 -0.08583 0.13615 -0.11756 43 8D+2 0.07025 0.16262 0.11641 -0.10239 0.07173 44 8D-2 0.14857 0.06927 -0.13391 0.31969 0.21699 45 3 Cu 1S 0.05921 -0.06463 -0.12624 -0.02120 -0.03385 46 2S 0.02106 -0.10997 -0.21571 -0.08263 -0.09521 47 3S -2.63418 1.16769 2.55465 -0.39029 -0.40519 48 4PX -0.02157 0.01744 0.01993 -0.00048 0.00597 49 4PY -0.00335 0.00866 0.00074 0.00498 0.00445 50 4PZ 0.01422 0.00177 -0.01723 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0.00789 -0.01106 71 4PY 0.00336 0.00238 0.00381 0.00424 0.00004 72 4PZ 0.01771 -0.00711 0.02044 -0.00464 0.00607 73 5PX -0.18576 -0.14763 -0.39207 0.21151 -0.06969 74 5PY -0.32562 0.48970 -0.09514 0.22069 0.02271 75 5PZ -0.74785 0.40885 -0.38878 0.08988 0.07914 76 6PX -0.15139 -0.11938 -0.33890 0.09444 -0.01867 77 6PY 0.10811 0.33241 -0.20279 0.57985 -0.18154 78 6PZ -0.12439 0.44465 -0.18031 -0.23944 0.12991 79 7D 0 0.08172 -0.10291 0.04193 0.04771 0.03572 80 7D+1 0.03298 -0.05042 0.25045 0.02979 -0.02599 81 7D-1 0.12537 0.01208 -0.04425 -0.04929 0.01514 82 7D+2 -0.04023 -0.04739 -0.01999 -0.02919 0.00991 83 7D-2 -0.01339 -0.15398 0.11463 -0.04248 -0.00398 84 8D 0 -0.18747 0.22830 -0.06811 -0.10480 -0.04651 85 8D+1 -0.07358 0.07874 -0.51945 -0.03066 0.03345 86 8D-1 -0.25048 -0.00513 0.10418 0.11157 -0.03452 87 8D+2 0.10037 0.07250 0.02333 0.05345 -0.00626 88 8D-2 0.00182 0.34356 -0.25607 0.06656 0.03134 89 5 Cu 1S -0.05942 0.11326 0.07321 -0.05529 0.11983 90 2S -0.12717 0.18067 0.17250 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2S 0.10829 0.00684 -0.01231 0.13572 0.00012 113 3S -1.92974 -0.38051 1.95977 -1.80257 -0.41356 114 4PX 0.00724 -0.02739 -0.00035 -0.00484 -0.00507 115 4PY -0.01381 -0.00706 -0.00319 -0.00921 -0.00454 116 4PZ 0.00249 -0.00491 0.00095 0.00883 0.00051 117 5PX -0.01027 0.28440 0.12627 0.27767 0.21185 118 5PY 0.19096 0.24319 -0.66616 -0.08329 0.26123 119 5PZ -0.62559 0.11401 0.08862 -0.98828 0.01797 120 6PX -0.16278 -0.10593 0.08727 -0.25723 -0.09303 121 6PY 0.45417 0.02152 -0.31118 0.61917 0.09050 122 6PZ 0.35690 -0.05427 -0.12337 0.58982 0.07313 123 7D 0 0.08301 -0.14317 -0.02970 0.16439 0.00526 124 7D+1 0.00400 -0.30068 0.06044 -0.10331 0.02797 125 7D-1 0.00292 -0.03523 -0.19178 -0.04274 0.03940 126 7D+2 -0.11223 -0.00116 0.14479 0.02134 -0.08776 127 7D-2 -0.04945 0.10294 0.10645 0.02351 0.10857 128 8D 0 -0.24002 0.33058 0.05344 -0.46996 -0.01361 129 8D+1 0.02208 0.66558 -0.13249 0.28230 -0.08128 130 8D-1 -0.01021 0.09054 0.38139 0.07514 -0.09267 131 8D+2 0.24029 0.00092 -0.37496 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-0.00816 0.02023 0.02996 0.01256 191 4PZ -0.02832 0.00710 0.02732 -0.06335 0.00592 192 5PX 0.12585 0.00342 -0.06113 0.01247 -0.20654 193 5PY 0.07985 0.02692 0.09726 -0.14377 -0.05260 194 5PZ 0.08051 -0.01840 -0.02418 0.15350 -0.02412 176 177 178 179 180 V V V V V EIGENVALUES -- 1.24102 1.27551 1.27935 1.28930 1.30862 1 1 Cu 1S 0.00189 -0.09052 0.02778 0.02125 -0.10972 2 2S 0.00575 -0.24240 0.07304 0.05444 -0.31516 3 3S 0.03066 -0.24819 0.00058 0.07515 -1.29461 4 4PX -0.00115 -0.00161 -0.01367 0.00787 0.01867 5 4PY -0.00032 0.00127 -0.00143 -0.01582 -0.01160 6 4PZ 0.00070 -0.03353 0.00942 -0.01118 -0.05306 7 5PX -0.18538 -0.06722 0.35881 -0.13169 -0.52658 8 5PY -0.09071 0.47631 -0.05213 -0.28625 -0.12407 9 5PZ -0.02893 0.56535 -0.21102 0.63910 1.56438 10 6PX -0.41234 -0.28742 0.13084 0.18745 0.14881 11 6PY -0.09334 1.14800 -0.35459 -1.27794 -0.49372 12 6PZ -0.07678 -0.05775 0.07677 -0.50104 -0.91011 13 7D 0 -0.04762 0.17123 0.01920 0.07264 0.27696 14 7D+1 -0.15968 0.04373 0.27058 0.03042 -0.12430 15 7D-1 -0.02794 0.18768 -0.01776 -0.12631 -0.01410 16 7D+2 0.01691 0.11351 -0.06111 -0.06197 -0.01120 17 7D-2 0.04190 -0.02954 -0.07478 0.00798 -0.01169 18 8D 0 0.12364 -0.44851 -0.05527 -0.22296 -0.79090 19 8D+1 0.42332 -0.12268 -0.74086 -0.08021 0.35398 20 8D-1 0.07590 -0.53495 0.05271 0.38436 0.05402 21 8D+2 -0.04442 -0.32458 0.16725 0.18803 0.04125 22 8D-2 -0.11111 0.08715 0.22056 -0.01910 0.03781 23 2 Cu 1S -0.00268 -0.02163 0.01884 -0.03671 -0.00138 24 2S -0.01173 -0.03830 0.05387 -0.15145 -0.03751 25 3S -0.07170 0.66698 0.06809 -1.66383 -0.23935 26 4PX -0.01269 -0.00716 -0.01423 -0.00621 -0.00914 27 4PY -0.00096 0.01288 -0.01597 0.03644 -0.01115 28 4PZ -0.00230 -0.01157 0.00638 -0.03014 0.02816 29 5PX -0.32180 0.13313 0.51244 0.02036 0.07491 30 5PY -0.12042 -0.11024 0.32517 -0.54286 0.22151 31 5PZ -0.04976 0.45420 -0.24609 1.17059 -0.51455 32 6PX 0.09469 -0.04776 -0.10873 0.17980 0.06297 33 6PY 0.00414 0.19823 -0.06296 -0.20056 -0.16698 34 6PZ 0.03204 -0.25555 0.11362 -0.28640 0.46586 35 7D 0 0.08280 0.01948 0.01003 0.00529 -0.03855 36 7D+1 0.26217 0.00899 0.04813 0.02734 -0.01364 37 7D-1 0.03168 -0.03861 0.04892 -0.26425 0.12197 38 7D+2 -0.02401 -0.08679 0.07665 -0.04815 0.15977 39 7D-2 -0.08314 -0.07049 -0.08525 0.02154 0.04981 40 8D 0 -0.22638 -0.06142 -0.02620 -0.00447 0.11476 41 8D+1 -0.71488 -0.03419 -0.13264 -0.05468 0.04869 42 8D-1 -0.09368 0.12540 -0.13980 0.71169 -0.33573 43 8D+2 0.08221 0.22144 -0.21258 0.18758 -0.46149 44 8D-2 0.18756 0.18371 0.23818 -0.03513 -0.15254 45 3 Cu 1S -0.03424 0.03807 -0.06379 -0.02605 0.03543 46 2S -0.04466 0.07486 -0.17765 -0.03712 0.10077 47 3S 0.87954 -0.03094 -0.86661 0.21127 0.75025 48 4PX 0.00913 0.01930 -0.01769 0.01129 0.00599 49 4PY -0.01869 0.00307 -0.00091 0.01123 0.00196 50 4PZ -0.00780 0.01661 0.02649 0.02078 -0.00615 51 5PX -0.38715 -0.50122 0.50054 -0.00644 -0.29779 52 5PY 0.15590 0.21170 0.08715 -1.14893 -0.20347 53 5PZ 0.11064 -0.25811 -0.56013 0.02037 0.63076 54 6PX -0.12855 0.37148 0.07035 0.13037 0.00836 55 6PY -0.16984 0.04289 0.01704 0.33409 0.06749 56 6PZ -0.01589 0.19757 0.28274 0.11571 -0.12292 57 7D 0 -0.10140 0.08617 0.00741 0.09469 -0.12568 58 7D+1 -0.00683 0.07627 -0.33187 -0.01866 0.10388 59 7D-1 -0.08662 -0.07034 0.00241 0.08426 -0.01531 60 7D+2 -0.21797 -0.09026 -0.07310 0.06225 -0.11518 61 7D-2 0.04589 -0.04317 0.00767 -0.18178 -0.05982 62 8D 0 0.24838 -0.24247 -0.01218 -0.22710 0.37673 63 8D+1 0.01877 -0.23308 0.89984 0.02620 -0.30464 64 8D-1 0.21310 0.19751 -0.00667 -0.23405 0.05562 65 8D+2 0.56761 0.21783 0.21356 -0.16340 0.34650 66 8D-2 -0.09818 0.09866 -0.01930 0.53438 0.19081 67 4 Cu 1S 0.03502 0.08607 0.01789 -0.00040 0.04156 68 2S 0.04979 0.20697 0.06581 0.02451 0.10013 69 3S -0.85100 0.49928 0.64101 0.21813 0.31569 70 4PX -0.00173 -0.02106 0.01668 -0.01293 0.00679 71 4PY 0.02017 -0.00322 -0.00120 -0.00330 -0.01906 72 4PZ 0.00907 -0.01831 -0.03124 0.00641 -0.00146 73 5PX -0.23888 0.49355 -0.21104 0.18897 -0.31548 74 5PY -0.34958 0.34268 0.10347 -0.87936 0.26886 75 5PZ -0.19409 0.44081 0.52767 0.24693 0.53665 76 6PX -0.17880 -0.17963 0.44459 -0.01018 0.20419 77 6PY 0.08567 0.03067 0.04666 0.04643 -0.42765 78 6PZ -0.03454 -0.15284 -0.19893 -0.06604 -0.10218 79 7D 0 0.08828 -0.12370 -0.17049 0.02613 -0.13780 80 7D+1 -0.03606 -0.22130 -0.05149 -0.08305 0.03259 81 7D-1 0.12809 -0.12932 -0.04274 0.09116 -0.09205 82 7D+2 0.15139 0.02609 0.15443 0.05193 0.01401 83 7D-2 0.15234 0.07481 0.02932 0.13185 -0.06978 84 8D 0 -0.21581 0.32423 0.44291 -0.03392 0.41678 85 8D+1 0.07944 0.60427 0.12896 0.23764 -0.08573 86 8D-1 -0.31890 0.36119 0.10658 -0.26234 0.25519 87 8D+2 -0.40261 -0.10586 -0.40551 -0.12854 -0.02058 88 8D-2 -0.38692 -0.21401 -0.07085 -0.38784 0.18329 89 5 Cu 1S 0.00487 0.04722 0.01125 0.02893 0.04387 90 2S 0.03330 0.12697 0.01052 0.01732 0.07474 91 3S 0.41236 0.46003 -0.37135 -0.71447 -0.14487 92 4PX 0.00689 0.00254 0.01601 -0.01154 -0.00329 93 4PY 0.01603 -0.01079 0.01125 -0.00262 0.01077 94 4PZ 0.00430 0.01050 -0.02268 -0.00015 0.00852 95 5PX -0.20877 -0.05120 -0.10715 0.39567 -0.00154 96 5PY -0.31719 0.36917 -0.02127 0.17293 -0.29893 97 5PZ -0.15589 -0.40722 0.30849 0.05772 -0.02479 98 6PX 0.00274 -0.21425 0.08858 0.00313 -0.02001 99 6PY 0.23236 -0.33299 0.03613 -0.02731 0.28460 100 6PZ 0.05369 0.23169 -0.15228 0.13137 0.15507 101 7D 0 0.02724 -0.10067 0.14351 -0.05643 -0.02945 102 7D+1 -0.08071 -0.04474 0.03247 0.03673 -0.03162 103 7D-1 -0.07251 0.08550 -0.08540 0.06348 -0.06387 104 7D+2 0.01373 -0.00770 -0.06870 0.06274 0.03060 105 7D-2 -0.11301 0.08781 0.00974 0.03903 -0.10455 106 8D 0 -0.06579 0.27891 -0.36775 0.15538 0.06459 107 8D+1 0.20850 0.11379 -0.09073 -0.10285 0.09417 108 8D-1 0.19601 -0.24695 0.20375 -0.17162 0.17592 109 8D+2 -0.02984 0.02176 0.17540 -0.17408 -0.09990 110 8D-2 0.29539 -0.23424 -0.02959 -0.10966 0.30739 111 6 Cu 1S -0.00551 -0.00439 0.00939 -0.00734 0.05676 112 2S -0.00645 -0.07255 0.03004 0.07353 0.14121 113 3S 0.11863 -0.99278 0.03993 1.81431 0.11934 114 4PX -0.01879 -0.00364 -0.00211 -0.00961 -0.01642 115 4PY -0.00210 -0.01167 -0.00186 0.03234 0.01744 116 4PZ -0.00360 0.02612 -0.00937 -0.00818 0.02181 117 5PX 0.03339 -0.05384 0.20632 0.48177 0.47783 118 5PY -0.04362 0.66570 -0.01206 -1.39175 -0.74701 119 5PZ 0.01133 -0.15157 0.11671 -0.20414 -0.25392 120 6PX -0.00529 0.06025 -0.06671 -0.29322 -0.41042 121 6PY -0.01715 -0.12710 0.03488 0.24941 0.44792 122 6PZ -0.00053 -0.06077 -0.04444 0.42001 0.14247 123 7D 0 0.02192 0.00597 -0.01937 0.13450 0.13137 124 7D+1 0.04711 0.01142 0.00732 -0.04978 -0.03820 125 7D-1 0.03221 -0.14225 0.04250 0.13902 0.05728 126 7D+2 -0.04547 -0.08055 -0.00174 0.12481 0.05783 127 7D-2 0.09979 -0.00094 0.04111 0.07385 0.10772 128 8D 0 -0.05030 0.00193 0.05057 -0.41017 -0.36750 129 8D+1 -0.10457 -0.03235 -0.01938 0.15580 0.11497 130 8D-1 -0.07366 0.37482 -0.11381 -0.40048 -0.21202 131 8D+2 0.10091 0.23316 0.00337 -0.34433 -0.17029 132 8D-2 -0.22720 0.00714 -0.12329 -0.19900 -0.29156 133 7 Cu 1S 0.00088 0.01757 -0.04569 0.01840 0.04708 134 2S -0.02602 0.06265 -0.09180 0.00005 0.07633 135 3S -0.51680 0.50560 0.12188 -0.69144 -0.40871 136 4PX 0.01399 0.00660 0.00525 0.01202 -0.00563 137 4PY -0.01236 -0.01283 0.00400 0.00433 0.01528 138 4PZ -0.00128 0.02458 0.01247 0.00739 0.00119 139 5PX -0.37551 0.01068 0.06997 -0.35627 0.11909 140 5PY 0.19629 0.27510 -0.25662 -0.13924 -0.52193 141 5PZ 0.06852 -0.46091 0.05023 -0.13808 -0.01781 142 6PX 0.08024 0.20457 -0.13727 -0.06495 -0.18789 143 6PY -0.20496 -0.20173 0.19114 -0.03920 0.28561 144 6PZ -0.03372 0.30868 -0.10255 0.06810 0.13216 145 7D 0 -0.07233 -0.11305 -0.01514 -0.06666 0.01644 146 7D+1 -0.05183 0.10877 0.01425 0.02690 0.04647 147 7D-1 0.00682 0.11608 0.01939 0.06093 -0.02743 148 7D+2 0.09408 0.05916 -0.02580 0.05156 -0.10761 149 7D-2 -0.09410 -0.06093 0.07921 0.02603 0.14180 150 8D 0 0.18315 0.30172 0.01724 0.17781 -0.05317 151 8D+1 0.13614 -0.28638 -0.03899 -0.07655 -0.13553 152 8D-1 -0.02497 -0.30913 -0.02601 -0.15407 0.06354 153 8D+2 -0.25154 -0.15019 0.07970 -0.14423 0.29504 154 8D-2 0.24294 0.16081 -0.21802 -0.06896 -0.41749 155 8 Cu 1S -0.00061 0.09451 -0.03819 -0.05671 0.00767 156 2S -0.00167 0.17451 -0.07362 -0.09050 0.03684 157 3S 0.00381 -0.90747 0.39182 0.65805 0.84417 158 4PX -0.00177 -0.00028 0.00081 0.00000 -0.00157 159 4PY -0.00025 0.01220 -0.00290 -0.00747 0.00805 160 4PZ -0.00010 -0.00814 0.00299 0.00626 0.00047 161 5PX 0.03412 -0.07173 -0.04806 0.06397 0.09263 162 5PY 0.00103 0.04955 -0.07534 0.23038 0.10386 163 5PZ 0.00431 0.10559 -0.01087 -0.50611 -0.53564 164 6PX 0.04822 -0.01949 0.01366 0.05631 0.11804 165 6PY 0.01215 0.17604 -0.04365 -0.36275 -0.40042 166 6PZ 0.01147 -0.10429 -0.00985 0.42424 0.34665 167 7D 0 0.01301 0.05870 -0.01501 -0.15967 -0.09090 168 7D+1 0.03374 -0.03267 -0.02402 0.05052 0.03743 169 7D-1 0.00777 -0.01072 -0.01720 -0.01341 -0.01686 170 7D+2 -0.00448 0.03908 0.00659 -0.06574 -0.02413 171 7D-2 -0.00822 0.00461 -0.01114 -0.01994 -0.00601 172 8D 0 -0.03069 -0.14219 0.02571 0.46596 0.29944 173 8D+1 -0.07832 0.08692 0.05741 -0.15405 -0.11559 174 8D-1 -0.01961 0.01781 0.04429 0.04463 0.05544 175 8D+2 0.01247 -0.07109 -0.02888 0.17676 0.09428 176 8D-2 0.01627 0.00568 0.02430 0.05100 0.02393 177 9 C 1S 0.00007 -0.00158 -0.00139 0.01160 0.00258 178 2S 0.00118 0.10968 0.00822 -0.39264 -0.02201 179 3S -0.01097 -0.11304 -0.04020 0.78062 0.04179 180 4PX -0.00058 -0.00227 0.01948 0.04833 0.02159 181 4PY 0.00137 0.01888 0.02651 -0.18935 -0.02830 182 4PZ 0.00090 0.04178 -0.00904 -0.03271 -0.04830 183 5PX -0.06719 -0.00803 -0.09499 -0.08054 -0.05855 184 5PY -0.01644 0.03762 -0.05866 0.24019 -0.07878 185 5PZ -0.01609 -0.18147 0.07697 -0.06826 0.08495 186 10 O 1S -0.00020 -0.00283 0.00185 -0.00294 -0.00044 187 2S 0.00224 0.04642 -0.03302 0.06423 0.02269 188 3S -0.00189 -0.04693 0.05495 -0.19612 -0.06417 189 4PX -0.02494 -0.00124 -0.00670 -0.00312 -0.00914 190 4PY -0.00418 0.02076 -0.00772 -0.01494 -0.01234 191 4PZ -0.00324 -0.02768 0.00997 -0.00145 0.00406 192 5PX 0.07115 0.00552 0.01862 0.04155 0.03958 193 5PY 0.01378 -0.06391 0.04336 -0.08063 -0.00311 194 5PZ 0.01095 0.08037 -0.02276 -0.03564 -0.03076 181 182 183 184 185 V V V V V EIGENVALUES -- 1.31063 1.32017 1.32864 1.34953 1.43241 1 1 Cu 1S 0.03033 -0.00325 -0.00175 0.00326 -0.27153 2 2S 0.08639 -0.00559 0.01364 0.00589 -0.57645 3 3S 0.32933 0.03413 0.44998 -0.03289 1.41312 4 4PX 0.01328 -0.04710 -0.00569 0.04316 -0.00591 5 4PY 0.00918 -0.00537 0.05340 0.01105 0.01836 6 4PZ 0.01949 -0.00750 -0.00671 0.00783 -0.01585 7 5PX -0.72418 1.20302 0.14390 -1.63621 0.20468 8 5PY -0.11935 0.21750 -1.61418 -0.52060 -0.58032 9 5PZ -0.69389 0.22401 0.24462 -0.35105 0.38283 10 6PX -0.70627 -1.04965 -0.22249 -0.55313 0.07581 11 6PY 0.26823 -0.07077 1.82877 0.09611 0.50336 12 6PZ 0.21417 -0.17095 -0.45970 -0.07828 -0.59214 13 7D 0 -0.11572 0.01712 0.08288 -0.03471 0.07248 14 7D+1 -0.06130 0.05216 -0.03341 -0.09202 0.06605 15 7D-1 -0.00867 0.04253 -0.16700 -0.07465 -0.21495 16 7D+2 0.06190 -0.08859 -0.16355 0.08175 0.18330 17 7D-2 -0.05452 0.16702 -0.05257 -0.17019 0.12641 18 8D 0 0.33188 -0.04857 -0.24592 0.10020 -0.21460 19 8D+1 0.16912 -0.14199 0.09856 0.25978 -0.21739 20 8D-1 0.01717 -0.12271 0.48681 0.22440 0.68442 21 8D+2 -0.18461 0.25838 0.48282 -0.25139 -0.59411 22 8D-2 0.16813 -0.49534 0.15825 0.53434 -0.41378 23 2 Cu 1S 0.00554 0.00680 0.04595 -0.00412 0.04058 24 2S 0.02904 0.02444 0.15576 -0.01860 -0.02333 25 3S 0.34344 0.10714 0.73941 -0.05149 -0.44836 26 4PX -0.01992 0.00636 0.00597 -0.07219 0.00021 27 4PY -0.00543 -0.00171 -0.01645 -0.01185 0.01838 28 4PZ -0.00888 0.00104 -0.01256 -0.01307 0.00538 29 5PX 0.00323 -0.35599 0.03987 2.11670 0.15100 30 5PY -0.02811 0.01979 0.02879 0.21797 -0.96517 31 5PZ 0.00385 -0.11307 -0.56256 0.28202 -0.44581 32 6PX 0.35143 -0.26394 -0.07767 -0.61783 -0.01094 33 6PY 0.14746 -0.03786 0.18766 -0.11226 0.03259 34 6PZ -0.01465 -0.01269 0.41025 -0.05191 0.14567 35 7D 0 -0.02583 0.00690 -0.00599 -0.02973 -0.04362 36 7D+1 -0.10977 0.01692 0.00485 -0.06528 -0.05176 37 7D-1 -0.00807 0.01363 0.04028 -0.04326 0.15890 38 7D+2 -0.05120 -0.00304 0.03418 0.09278 -0.20674 39 7D-2 0.02516 0.04424 0.01074 -0.23870 -0.09645 40 8D 0 0.08372 -0.02485 0.00695 0.08872 0.12301 41 8D+1 0.34969 -0.06212 -0.00246 0.19913 0.15738 42 8D-1 0.02818 -0.04470 -0.15472 0.13068 -0.47965 43 8D+2 0.14240 0.01282 -0.09200 -0.28077 0.62295 44 8D-2 -0.10202 -0.13054 -0.02255 0.71139 0.29101 45 3 Cu 1S 0.00025 -0.07408 -0.02489 -0.02250 0.13523 46 2S 0.01541 -0.15974 -0.07104 -0.04947 0.26559 47 3S 0.41035 0.36297 -0.62345 0.23372 -0.73602 48 4PX 0.00618 0.02057 0.01416 0.00973 -0.00130 49 4PY 0.03905 -0.01319 -0.02017 -0.01875 -0.01806 50 4PZ -0.00627 0.02091 0.02448 0.00939 0.00420 51 5PX -0.47160 -1.03338 -0.30018 -0.65243 0.00339 52 5PY -0.75391 0.31975 0.91433 0.85353 -0.05421 53 5PZ -0.18121 -1.17606 -0.56237 -0.32332 -0.01510 54 6PX 0.04918 0.70094 0.45553 0.46839 0.20536 55 6PY 0.88423 -0.40745 -0.81003 -0.65595 -0.12866 56 6PZ 0.08644 1.01847 0.29573 0.46318 -0.18054 57 7D 0 0.02533 0.26142 0.13795 0.06453 -0.02110 58 7D+1 0.01252 -0.00470 0.02049 0.05828 0.02443 59 7D-1 0.05688 -0.11501 -0.08129 -0.10532 0.00048 60 7D+2 -0.09648 -0.08717 -0.00240 -0.11387 -0.02684 61 7D-2 -0.23877 -0.03146 0.13401 0.11256 0.03564 62 8D 0 -0.08305 -0.76079 -0.38459 -0.17883 0.05478 63 8D+1 -0.02122 0.04116 -0.07533 -0.16793 -0.07580 64 8D-1 -0.14110 0.31991 0.23754 0.31746 -0.00973 65 8D+2 0.28530 0.27588 -0.01210 0.35182 0.06864 66 8D-2 0.65766 0.09639 -0.39455 -0.31430 -0.08023 67 4 Cu 1S -0.01868 0.06119 -0.02335 0.00889 0.15358 68 2S -0.07211 0.13308 -0.06657 0.00547 0.30859 69 3S -0.71567 -0.36528 -0.58828 -0.33093 -0.70562 70 4PX 0.01901 0.01860 -0.01743 0.00691 0.00538 71 4PY -0.03119 0.01757 -0.02909 0.01814 -0.01648 72 4PZ 0.00962 -0.01114 0.02063 -0.00305 0.00392 73 5PX -0.73219 -1.17818 0.32806 -0.40641 0.05395 74 5PY 0.76614 -0.50264 1.11846 -1.07751 0.00874 75 5PZ -0.41540 0.69700 -0.58111 0.05077 0.04595 76 6PX 0.32423 0.80870 -0.39644 0.32183 -0.06406 77 6PY -0.77629 0.56595 -1.06606 0.66573 -0.19801 78 6PZ 0.06727 -0.69047 0.30606 -0.30359 -0.23735 79 7D 0 0.07773 -0.19780 0.14671 -0.01728 -0.04056 80 7D+1 0.12227 0.13413 -0.06498 0.06209 -0.01111 81 7D-1 -0.10093 0.10694 -0.15134 0.16943 -0.02775 82 7D+2 0.22250 0.09167 0.07618 0.00012 -0.00054 83 7D-2 -0.09948 -0.02737 -0.06888 0.10793 -0.04636 84 8D 0 -0.22883 0.58900 -0.40957 0.04535 0.11798 85 8D+1 -0.34089 -0.38523 0.18350 -0.17894 0.04343 86 8D-1 0.26108 -0.29383 0.44162 -0.50329 0.06808 87 8D+2 -0.65373 -0.29417 -0.23514 -0.02394 0.00800 88 8D-2 0.27463 0.06330 0.19122 -0.31937 0.11530 89 5 Cu 1S -0.02188 0.04768 -0.01120 0.04452 0.06664 90 2S -0.01685 0.15530 0.00056 0.11638 0.14470 91 3S 0.81490 0.36157 0.12294 0.48675 0.15425 92 4PX -0.00059 0.00991 0.00469 0.00400 0.01116 93 4PY -0.01208 -0.00418 -0.00124 0.00046 -0.02258 94 4PZ 0.00898 0.01159 0.00178 0.00552 -0.00714 95 5PX -0.27050 0.25168 0.29839 -0.27929 -0.21407 96 5PY 0.48754 -0.10278 0.04099 1.06057 0.17840 97 5PZ -0.03289 -0.87794 -0.46280 0.00458 -0.07666 98 6PX -0.08572 -0.48164 -0.33576 -0.17085 0.04140 99 6PY -0.13293 -0.02284 0.06036 -0.33587 -0.13419 100 6PZ -0.08222 0.48188 0.37307 0.15833 0.08470 101 7D 0 -0.00451 -0.19106 -0.10747 -0.01965 0.06445 102 7D+1 0.01156 -0.06581 -0.02159 0.02861 0.00076 103 7D-1 0.07381 0.07574 0.04097 0.12737 0.05146 104 7D+2 -0.01925 0.06572 0.04402 -0.06410 -0.06796 105 7D-2 0.11376 -0.06705 -0.04028 0.17414 0.10155 106 8D 0 -0.01324 0.58370 0.33296 0.04900 -0.16943 107 8D+1 -0.03439 0.18314 0.06653 -0.09760 0.00612 108 8D-1 -0.20622 -0.21996 -0.11641 -0.40188 -0.13453 109 8D+2 0.07144 -0.20831 -0.15117 0.20052 0.18110 110 8D-2 -0.32585 0.21985 0.12337 -0.55620 -0.26626 111 6 Cu 1S -0.01968 -0.00054 -0.01706 0.01522 0.02604 112 2S -0.05912 -0.00537 -0.06187 0.03755 0.06637 113 3S -0.33047 -0.00881 0.40101 0.03448 0.86222 114 4PX -0.02261 -0.00893 0.00746 -0.00298 -0.00324 115 4PY -0.01486 -0.00366 -0.01563 0.00111 0.01445 116 4PZ -0.00878 -0.00389 -0.01695 -0.00096 0.00074 117 5PX 0.68949 -0.29631 -0.35102 -0.30844 0.09240 118 5PY 0.57484 0.07585 0.56820 -0.16535 -0.55065 119 5PZ 0.24111 0.10210 1.41306 -0.05797 0.16155 120 6PX -0.74522 0.28100 0.36276 0.35858 -0.07367 121 6PY -0.35003 0.00058 -0.69154 0.00688 0.14990 122 6PZ -0.28445 -0.04645 -1.34787 -0.01894 0.05900 123 7D 0 -0.04286 -0.04078 -0.23402 -0.00020 0.02678 124 7D+1 0.03638 -0.02284 0.03985 -0.02758 -0.04124 125 7D-1 0.01721 -0.00288 0.20865 -0.00459 0.15770 126 7D+2 -0.15219 0.01253 -0.02991 0.03722 0.04014 127 7D-2 0.25875 -0.03848 -0.03908 -0.06464 -0.02003 128 8D 0 0.12394 0.11751 0.69226 0.00979 -0.07802 129 8D+1 -0.11387 0.05886 -0.11222 0.10750 0.12076 130 8D-1 -0.03447 0.01522 -0.64564 0.02189 -0.47525 131 8D+2 0.42906 -0.04847 0.08442 -0.12919 -0.12693 132 8D-2 -0.72480 0.14855 0.11601 0.22401 0.05738 133 7 Cu 1S -0.00696 -0.04737 -0.01320 -0.01317 0.05939 134 2S -0.02249 -0.14640 -0.00655 -0.04713 0.13506 135 3S -0.50951 -0.33930 0.00905 -0.42919 0.36165 136 4PX -0.00101 0.00932 -0.00365 0.00344 -0.00039 137 4PY 0.00195 0.00879 -0.00258 -0.00258 -0.02566 138 4PZ -0.01300 -0.00681 0.00005 -0.00496 -0.00927 139 5PX -0.07056 -0.08771 -0.20429 0.16661 0.17392 140 5PY -0.28111 0.11824 -0.05491 -1.06240 0.40359 141 5PZ -0.00815 0.85039 -0.64968 -0.06080 0.05080 142 6PX -0.05035 -0.26826 0.20375 -0.20006 0.00053 143 6PY -0.06029 -0.07714 0.15387 0.26239 -0.16373 144 6PZ -0.02859 -0.58226 0.57638 -0.19074 0.04770 145 7D 0 0.01963 0.11668 -0.10232 0.04963 0.05046 146 7D+1 -0.01609 -0.12598 0.08039 0.03629 -0.06273 147 7D-1 -0.02248 -0.12935 0.09272 -0.03610 -0.00971 148 7D+2 -0.03268 0.01199 0.00611 -0.09264 0.03962 149 7D-2 0.02597 -0.03947 0.04413 0.18830 -0.15100 150 8D 0 -0.02895 -0.36673 0.31773 -0.14760 -0.14043 151 8D+1 0.02664 0.37762 -0.25776 -0.12775 0.16685 152 8D-1 0.05888 0.38757 -0.28088 0.11149 0.02545 153 8D+2 0.08863 -0.03925 -0.02708 0.29967 -0.10543 154 8D-2 -0.07824 0.14324 -0.14896 -0.60566 0.41523 155 8 Cu 1S 0.00505 -0.00895 -0.03382 0.01246 0.11505 156 2S 0.00064 -0.02651 -0.09077 0.03596 0.19153 157 3S -0.30608 -0.13657 -0.32760 0.08161 -0.81593 158 4PX 0.00127 0.00105 0.00135 0.00256 -0.00162 159 4PY 0.00095 -0.00243 -0.01999 0.00173 0.00032 160 4PZ -0.00109 0.00015 0.01402 0.00216 0.00927 161 5PX -0.03158 -0.16192 -0.03283 0.25406 -0.05417 162 5PY -0.08058 -0.01193 -0.23046 -0.02287 0.28446 163 5PZ 0.20315 0.07464 0.43685 -0.01361 -0.19736 164 6PX 0.28159 0.04616 -0.03558 0.09159 -0.07647 165 6PY 0.22223 0.06937 0.48849 0.02547 -0.05738 166 6PZ -0.12034 -0.01667 -0.28826 -0.03981 0.35131 167 7D 0 0.05136 0.00817 0.02748 -0.00616 -0.09877 168 7D+1 -0.02320 -0.00997 -0.01556 -0.00192 0.02074 169 7D-1 -0.00584 0.00663 0.02253 -0.00670 0.00190 170 7D+2 0.02445 0.00403 0.00706 0.00167 -0.05399 171 7D-2 -0.00686 -0.01436 0.00517 0.01251 -0.04267 172 8D 0 -0.15664 -0.02984 -0.16081 0.01491 0.33233 173 8D+1 0.07732 0.03066 0.06957 -0.00556 -0.05665 174 8D-1 0.00804 -0.01788 -0.05687 0.01601 -0.03446 175 8D+2 -0.06934 -0.01390 -0.04976 -0.00014 0.21521 176 8D-2 0.00256 0.04654 -0.02902 -0.05118 0.15767 177 9 C 1S -0.00328 0.00043 -0.00108 -0.00090 -0.01948 178 2S 0.08451 -0.00609 0.12642 0.04598 0.40010 179 3S -0.16805 0.00181 -0.43913 -0.12321 -0.96176 180 4PX 0.00785 -0.00105 -0.00774 0.08309 -0.10344 181 4PY 0.05600 -0.01047 0.02147 0.03903 0.37640 182 4PZ 0.03258 -0.00738 0.00629 0.02533 0.17279 183 5PX -0.15821 -0.02419 0.03199 -0.45089 0.06728 184 5PY -0.05090 -0.00569 -0.08143 -0.12210 -0.09928 185 5PZ -0.05859 0.00633 -0.02172 -0.09574 -0.11805 186 10 O 1S 0.00047 0.00057 0.00366 -0.00024 0.00377 187 2S -0.01899 -0.00587 -0.05811 -0.00023 -0.18101 188 3S 0.06233 0.00300 0.11724 0.01492 0.52446 189 4PX -0.03348 -0.01938 0.00377 -0.02776 -0.01350 190 4PY 0.00208 -0.00655 0.00302 -0.00226 0.06907 191 4PZ -0.00641 -0.00513 -0.01470 -0.00150 0.01561 192 5PX 0.09356 0.05282 -0.01861 0.11400 -0.05472 193 5PY 0.03837 0.01076 0.02504 0.03191 0.14970 194 5PZ 0.03771 0.00982 0.04917 0.02034 0.10812 186 187 188 189 190 V V V V V EIGENVALUES -- 1.58100 1.68601 1.71938 1.88193 2.06091 1 1 Cu 1S 0.16066 -0.17983 -0.09073 0.71366 -0.60667 2 2S 0.44976 -0.50112 -0.23447 1.54369 -1.28724 3 3S 2.01388 -1.15041 -0.42413 -2.19654 -0.99526 4 4PX 0.00317 0.00517 -0.01394 0.00274 0.00938 5 4PY -0.00703 -0.00647 -0.00256 -0.02143 -0.00914 6 4PZ 0.01513 -0.01290 -0.00814 0.01134 -0.03458 7 5PX -0.21219 -0.12657 0.81342 -0.37673 -0.47941 8 5PY 0.38416 -0.29358 -0.00205 1.49275 1.04572 9 5PZ 0.03367 0.23982 0.25363 0.31304 1.13937 10 6PX 0.03873 0.35243 0.45282 -0.55036 -0.24382 11 6PY -0.93171 -0.82321 0.00128 1.06427 0.89585 12 6PZ -1.20820 0.42527 0.28982 0.64054 -0.71010 13 7D 0 0.10373 -0.05258 -0.02653 0.05878 0.02432 14 7D+1 -0.04116 0.02265 -0.02372 0.01579 -0.01651 15 7D-1 0.02189 -0.00163 0.00998 -0.05213 -0.01817 16 7D+2 -0.00429 -0.01492 -0.02942 0.09242 -0.04638 17 7D-2 0.00807 -0.03270 0.07138 0.06705 -0.01275 18 8D 0 -0.34903 0.18455 0.10017 -0.24012 -0.06358 19 8D+1 0.13815 -0.08812 0.09573 -0.05652 0.05523 20 8D-1 -0.07314 0.02262 -0.02704 0.20473 0.06691 21 8D+2 0.00581 0.04836 0.10296 -0.36022 0.18173 22 8D-2 -0.02488 0.10927 -0.26159 -0.25779 0.05379 23 2 Cu 1S 0.25666 0.13077 0.02298 -0.02695 0.26341 24 2S 0.63647 0.28513 0.04705 -0.11059 0.56408 25 3S -0.37910 -1.58386 -0.45883 0.92188 1.23645 26 4PX -0.00031 -0.00269 -0.01022 0.00199 0.01010 27 4PY -0.02022 0.02388 0.00802 -0.03733 -0.05033 28 4PZ -0.00468 0.01781 0.00360 0.00979 -0.02571 29 5PX -0.02377 0.07421 0.76234 -0.10966 -0.39814 30 5PY 0.48419 -1.11600 -0.26440 1.15310 1.81569 31 5PZ 0.53610 -0.72519 -0.12922 0.16055 0.79815 32 6PX 0.21077 0.10955 -0.24966 -0.12654 0.09580 33 6PY -0.15508 -0.49386 -0.16860 0.26643 0.28631 34 6PZ -0.53625 -0.19605 -0.05742 0.49535 -0.63343 35 7D 0 0.04692 0.00548 -0.02247 -0.04467 0.03901 36 7D+1 -0.02344 0.04321 -0.05284 -0.02773 -0.00625 37 7D-1 -0.05610 -0.02106 -0.02211 0.11684 -0.03957 38 7D+2 -0.05735 0.08596 0.05110 -0.08135 0.00474 39 7D-2 -0.02107 0.04914 -0.00627 -0.05723 0.00571 40 8D 0 -0.15612 -0.03393 0.07494 0.16041 -0.13660 41 8D+1 0.07465 -0.15770 0.18605 0.09615 0.02571 42 8D-1 0.20404 0.10480 0.08551 -0.38935 0.13058 43 8D+2 0.18473 -0.32567 -0.18810 0.29638 -0.00697 44 8D-2 0.06533 -0.18708 0.01832 0.20332 -0.01513 45 3 Cu 1S 0.07315 -0.57003 0.75994 -0.68797 0.19492 46 2S 0.20442 -1.21302 1.58861 -1.32973 0.34118 47 3S 0.01983 1.83776 -1.41378 2.44690 -0.81849 48 4PX 0.00781 -0.01177 0.02693 0.01416 -0.02558 49 4PY 0.00409 -0.00264 -0.00181 0.00522 0.02447 50 4PZ -0.01076 0.00954 -0.00583 -0.00416 0.00480 51 5PX -0.07759 0.28676 -0.91480 0.00480 0.13504 52 5PY 0.00448 -0.13817 -0.10688 0.14705 -0.11116 53 5PZ 0.40795 -0.23054 0.29255 0.02127 -0.03405 54 6PX -0.15577 -0.56234 0.82780 -0.35933 -0.14797 55 6PY 0.32529 0.23596 -0.06743 -0.26992 0.56690 56 6PZ -0.00585 0.06627 0.20461 0.46329 -0.23305 57 7D 0 -0.05277 0.00133 0.04112 -0.00021 -0.04969 58 7D+1 -0.00324 0.00985 -0.01542 -0.02061 0.01119 59 7D-1 0.02692 -0.00688 0.02557 -0.00403 0.00955 60 7D+2 -0.01515 0.00433 -0.11129 -0.03151 -0.00609 61 7D-2 0.02714 -0.05700 -0.02774 -0.02053 -0.03127 62 8D 0 0.16678 -0.00191 -0.13405 0.01007 0.17021 63 8D+1 0.01680 -0.05410 0.06367 0.06414 -0.04403 64 8D-1 -0.08919 0.02356 -0.08738 0.01507 -0.02792 65 8D+2 0.04578 -0.02358 0.36650 0.09780 0.03893 66 8D-2 -0.08950 0.18952 0.08442 0.05814 0.09250 67 4 Cu 1S 0.00347 -0.09201 -0.92760 -0.69580 0.19922 68 2S 0.05264 -0.20211 -1.95457 -1.34469 0.34533 69 3S 0.07096 0.90487 1.99728 2.34140 -1.07161 70 4PX -0.00255 -0.00492 0.02099 -0.01292 0.01249 71 4PY 0.00430 -0.00539 0.00704 0.00015 0.03159 72 4PZ -0.01051 0.00268 0.02125 -0.00808 0.01450 73 5PX -0.15648 0.32505 -0.61205 0.00325 -0.08604 74 5PY -0.12656 -0.02089 -0.20036 0.10802 -0.21810 75 5PZ 0.32426 0.06121 -0.72954 -0.05249 -0.14747 76 6PX 0.14012 -0.18555 0.78284 0.22401 -0.04743 77 6PY 0.40171 0.15636 0.35295 -0.15713 0.57462 78 6PZ 0.05318 0.22030 0.20596 0.60928 -0.16354 79 7D 0 -0.04467 0.01218 -0.01842 0.01265 -0.04267 80 7D+1 0.02922 -0.04188 0.02700 -0.00363 0.01045 81 7D-1 0.03033 0.01043 -0.01698 0.00187 0.02252 82 7D+2 0.01096 -0.07798 0.06454 -0.04267 -0.02319 83 7D-2 -0.02473 0.00255 0.07315 -0.00330 0.01716 84 8D 0 0.13780 -0.03169 0.07282 -0.03462 0.14984 85 8D+1 -0.09609 0.14173 -0.07193 0.00813 -0.03081 86 8D-1 -0.10043 -0.03128 0.06464 -0.00099 -0.06428 87 8D+2 -0.03925 0.24738 -0.21685 0.13250 0.08206 88 8D-2 0.08037 -0.01363 -0.25624 0.01194 -0.04010 89 5 Cu 1S -0.63627 0.54895 -0.23393 -0.03536 -0.37756 90 2S -1.35716 1.14109 -0.52713 -0.08870 -0.69989 91 3S 0.12575 -0.00327 -0.36541 -0.36012 1.85848 92 4PX -0.02436 0.01724 -0.01217 -0.00785 0.01251 93 4PY 0.00384 -0.00963 0.00248 0.00668 0.00043 94 4PZ -0.01048 0.01106 -0.01845 0.00143 0.01363 95 5PX 0.86350 -0.89850 0.61311 0.10764 -0.08997 96 5PY -0.03766 0.08739 -0.11104 -0.04693 0.33839 97 5PZ 0.60086 -0.52587 0.46216 0.12569 -0.01514 98 6PX -0.26405 0.33502 -0.39134 -0.03301 -0.23813 99 6PY 0.02111 0.03128 -0.12820 -0.04924 -0.39607 100 6PZ 0.04245 0.00304 -0.16268 -0.02635 0.10335 101 7D 0 -0.01208 -0.01425 0.03106 -0.04837 0.02928 102 7D+1 0.09693 -0.07603 0.06416 0.01691 0.00663 103 7D-1 0.00710 0.03823 -0.01631 0.02130 0.01310 104 7D+2 0.04458 -0.04687 0.01794 0.02923 -0.00353 105 7D-2 0.00624 0.01574 -0.02120 -0.01770 0.05460 106 8D 0 0.03165 0.03059 -0.07437 0.14423 -0.09757 107 8D+1 -0.30363 0.25485 -0.20833 -0.05618 -0.03270 108 8D-1 -0.01945 -0.10653 0.03747 -0.06853 -0.05167 109 8D+2 -0.14343 0.15902 -0.06535 -0.08671 0.00754 110 8D-2 -0.01855 -0.04235 0.07619 0.05421 -0.18967 111 6 Cu 1S -0.16600 0.54531 0.14732 0.31221 1.16974 112 2S -0.33995 1.16341 0.31508 0.66092 2.33027 113 3S -0.73952 -0.62732 0.10070 -1.57091 -1.99501 114 4PX 0.00129 -0.00446 0.00173 -0.00490 0.00468 115 4PY -0.00899 0.02499 0.00818 0.02338 -0.00571 116 4PZ 0.00445 -0.00292 -0.00165 0.00614 -0.01459 117 5PX -0.09241 0.13559 -0.36086 -0.12130 -0.15570 118 5PY 0.43017 -0.65342 -0.27543 0.05287 -0.47478 119 5PZ -0.17078 0.46597 0.13897 0.32471 0.96927 120 6PX -0.13212 -0.21923 0.19520 0.02314 -0.04066 121 6PY 0.34409 0.60845 0.10995 0.36379 0.31181 122 6PZ 0.34694 0.13016 0.00574 -0.30577 -0.07455 123 7D 0 -0.02526 0.01777 0.00028 0.00526 -0.07511 124 7D+1 0.01508 0.00936 0.00139 0.01989 0.04100 125 7D-1 -0.04882 0.01991 -0.00615 -0.06593 0.01940 126 7D+2 -0.02164 0.04814 0.05351 0.00561 0.05054 127 7D-2 -0.00634 0.04950 -0.08942 0.01181 0.01801 128 8D 0 0.07938 -0.03729 0.00306 0.01522 0.27513 129 8D+1 -0.04553 -0.03815 -0.01439 -0.07998 -0.15465 130 8D-1 0.15006 -0.05158 0.02056 0.22605 -0.05146 131 8D+2 0.06536 -0.15148 -0.16789 -0.01629 -0.18590 132 8D-2 0.02039 -0.15988 0.28302 -0.04152 -0.07050 133 7 Cu 1S -0.55873 0.30046 0.57121 0.06444 -0.30923 134 2S -1.19572 0.60641 1.22800 0.12129 -0.57051 135 3S -0.26954 0.13710 0.53425 -0.62844 1.51831 136 4PX 0.02308 -0.00485 -0.02565 0.00384 -0.01410 137 4PY 0.01246 -0.00977 -0.01813 0.00768 -0.00410 138 4PZ -0.00062 -0.00256 0.01472 0.00496 0.00823 139 5PX -0.85906 0.43021 1.20932 0.00255 -0.02260 140 5PY -0.46865 0.25746 0.62680 -0.08486 0.28993 141 5PZ 0.21660 -0.02454 -0.38670 0.00113 -0.04304 142 6PX 0.19095 -0.04079 -0.53404 0.06465 0.32733 143 6PY -0.02721 0.06659 -0.03307 -0.06360 -0.35927 144 6PZ 0.02802 0.01488 0.00560 -0.01368 0.18638 145 7D 0 -0.05398 0.01193 0.02105 -0.04342 0.02281 146 7D+1 -0.03874 0.00028 0.07689 0.02169 -0.01338 147 7D-1 -0.00962 0.02303 0.05231 0.03248 -0.00840 148 7D+2 0.04599 -0.01528 -0.04008 0.00616 0.03570 149 7D-2 0.04377 -0.03693 -0.08158 0.02193 -0.03750 150 8D 0 0.15820 -0.04082 -0.09521 0.12804 -0.06988 151 8D+1 0.12386 -0.00605 -0.24248 -0.06188 0.05022 152 8D-1 0.03750 -0.07553 -0.14912 -0.09954 0.02603 153 8D+2 -0.14443 0.06088 0.13908 -0.01424 -0.12863 154 8D-2 -0.14166 0.11437 0.26481 -0.05921 0.12634 155 8 Cu 1S -0.31108 0.07761 0.06686 -0.52813 -0.50910 156 2S -0.63974 0.13793 0.12620 -1.14716 -1.00283 157 3S 0.07354 0.32701 -0.06938 -0.69400 -0.12170 158 4PX 0.00111 0.00352 -0.00025 0.00883 0.00174 159 4PY -0.01094 -0.00228 -0.00076 -0.02111 0.00022 160 4PZ -0.00037 -0.01130 -0.00406 -0.01996 -0.00981 161 5PX -0.11359 -0.01973 -0.04584 -0.47233 -0.28098 162 5PY 0.55095 -0.14988 -0.10306 1.34975 0.48644 163 5PZ 0.12871 0.24116 0.09179 0.73794 0.77391 164 6PX 0.03181 0.04357 -0.16610 0.21590 0.12208 165 6PY -0.27020 -0.14673 0.02203 -0.39526 -0.24367 166 6PZ 0.49918 -0.06839 -0.09076 -0.42800 -0.10056 167 7D 0 -0.02688 0.07649 0.02771 -0.01315 0.11421 168 7D+1 -0.00580 -0.02975 0.00261 -0.04976 -0.05220 169 7D-1 0.03742 0.01128 0.00623 0.09374 0.02594 170 7D+2 -0.04598 0.02552 0.01196 -0.12790 0.00733 171 7D-2 -0.01881 0.00647 0.00105 -0.08836 -0.00403 172 8D 0 0.07309 -0.23190 -0.08476 0.06191 -0.39813 173 8D+1 0.02439 0.08536 -0.00722 0.16839 0.18580 174 8D-1 -0.11425 -0.03020 -0.01532 -0.32416 -0.10102 175 8D+2 0.14854 -0.09002 -0.04310 0.44780 -0.02070 176 8D-2 0.06471 -0.02902 0.00121 0.30859 0.02006 177 9 C 1S -0.02396 -0.00994 -0.00143 -0.00827 0.00121 178 2S -0.06199 0.03416 0.01350 0.13039 -0.17810 179 3S -1.24680 -2.25943 -0.63342 1.05295 1.69605 180 4PX -0.05879 -0.03658 0.01128 -0.02995 0.03754 181 4PY 0.25984 0.12926 0.02497 0.17990 -0.12803 182 4PZ 0.11397 0.01988 0.00363 0.02164 -0.05114 183 5PX -0.18151 -0.04533 -0.11852 -0.02211 0.03649 184 5PY 0.49183 0.23970 0.03249 -0.37102 -0.25901 185 5PZ 0.18425 0.33568 0.06058 0.21752 -0.16471 186 10 O 1S 0.05589 0.05538 0.01388 -0.01979 -0.01730 187 2S -1.25420 -1.28960 -0.32685 0.48091 0.59010 188 3S 2.32307 2.44659 0.62447 -0.91800 -1.35955 189 4PX -0.00049 0.01066 0.00065 -0.02891 0.00236 190 4PY -0.00879 -0.06481 -0.01815 0.03842 -0.02062 191 4PZ -0.02117 0.02349 0.00503 0.08335 -0.02031 192 5PX -0.15324 -0.18881 -0.02883 0.12050 0.09341 193 5PY 0.65336 0.78165 0.20112 -0.21629 -0.31570 194 5PZ 0.32107 0.17859 0.04866 -0.31466 -0.09639 191 192 193 194 V V V V EIGENVALUES -- 2.64061 2.75330 4.05970 10.64344 1 1 Cu 1S 0.13289 -0.04557 -1.33399 -1.79376 2 2S 0.28381 -0.10822 -2.29916 -2.80939 3 3S 1.30536 -1.56114 11.36973 7.30199 4 4PX 0.02042 0.06641 0.00720 -0.01187 5 4PY 0.07284 -0.06619 -0.03833 0.03010 6 4PZ 0.02500 -0.01417 0.05501 0.06553 7 5PX -0.18156 -1.63450 -0.14241 -0.49780 8 5PY -2.01019 2.23214 0.15767 2.08045 9 5PZ -0.63465 0.50874 -0.92887 -0.39168 10 6PX 3.17931 4.42307 1.02483 -0.73711 11 6PY 3.41792 -2.00887 -2.90511 -0.25518 12 6PZ 0.69470 0.77254 -4.51675 -1.43316 13 7D 0 0.00828 -0.00533 -0.02205 -0.00568 14 7D+1 -0.01928 -0.00472 -0.00298 0.00072 15 7D-1 -0.03044 0.00177 0.03501 -0.00518 16 7D+2 -0.02343 0.07440 -0.00477 -0.00466 17 7D-2 -0.06379 -0.02889 -0.01172 -0.00196 18 8D 0 -0.03845 0.02366 0.09292 0.04340 19 8D+1 0.07182 0.01599 0.01073 0.01031 20 8D-1 0.12184 -0.00958 -0.14316 -0.02521 21 8D+2 0.08621 -0.29401 0.00820 0.06805 22 8D-2 0.24291 0.11648 0.05069 0.03904 23 2 Cu 1S 0.07192 -0.10707 1.24745 -3.14862 24 2S 0.10250 -0.16526 2.20184 -5.04244 25 3S -1.35498 1.63540 -5.18817 9.72017 26 4PX 0.05797 0.04647 0.01318 0.00931 27 4PY -0.00528 0.02370 -0.05363 -0.07134 28 4PZ 0.00427 0.01528 -0.01007 0.01766 29 5PX -0.98970 -1.69037 0.40464 -1.68242 30 5PY -1.64810 1.55298 -1.88866 7.27375 31 5PZ -0.67244 0.36058 -0.78625 1.95737 32 6PX -0.91477 -1.00062 0.04339 0.57859 33 6PY -0.00892 -0.26024 0.21953 0.28166 34 6PZ 0.12761 -0.61111 0.94633 -1.75420 35 7D 0 0.00535 0.00790 0.01379 -0.00365 36 7D+1 0.01310 0.02736 0.00961 -0.01724 37 7D-1 0.02673 0.00030 -0.03453 0.04943 38 7D+2 -0.05218 0.00734 0.02943 -0.04541 39 7D-2 0.02474 0.04897 0.01955 -0.02614 40 8D 0 -0.02756 -0.02195 -0.08186 0.08882 41 8D+1 -0.05513 -0.10236 -0.05842 0.11446 42 8D-1 -0.08340 -0.02189 0.21463 -0.36493 43 8D+2 0.18858 -0.01547 -0.18616 0.37124 44 8D-2 -0.09825 -0.17575 -0.11905 0.20632 45 3 Cu 1S 0.15205 0.73822 -0.77979 -0.85677 46 2S 0.29960 1.36094 -1.33782 -1.37647 47 3S -0.20493 -2.57158 1.19755 -1.14448 48 4PX 0.00425 -0.01258 0.03025 0.02608 49 4PY 0.00047 -0.00304 0.00003 0.01990 50 4PZ 0.00316 0.02970 -0.01354 -0.02737 51 5PX -0.11390 -0.32271 -0.04199 0.38810 52 5PY -0.43348 0.08338 -0.20563 0.81643 53 5PZ 0.01313 -0.14647 -0.00649 -0.53553 54 6PX 0.16431 0.27307 0.05597 0.08896 55 6PY -0.15177 -0.20675 -0.48834 1.05108 56 6PZ 0.00235 0.14007 0.02181 0.33966 57 7D 0 0.01655 0.03260 0.00423 0.00513 58 7D+1 -0.00682 0.02596 0.00358 -0.01218 59 7D-1 -0.00333 -0.01265 0.00353 -0.00635 60 7D+2 0.00032 -0.00672 -0.01943 -0.00328 61 7D-2 -0.02465 0.00527 0.01361 0.01463 62 8D 0 -0.06159 -0.11808 -0.00935 -0.02459 63 8D+1 0.02692 -0.11058 -0.01124 0.08571 64 8D-1 0.00542 0.04503 -0.02109 0.06110 65 8D+2 -0.00653 0.03137 0.07816 0.01492 66 8D-2 0.10189 -0.02476 -0.04408 -0.09912 67 4 Cu 1S -0.72075 -0.14207 -0.82204 -0.84645 68 2S -1.32838 -0.28770 -1.42167 -1.36410 69 3S 2.83076 -0.05513 1.07770 -1.45356 70 4PX -0.00064 0.00592 -0.02235 -0.01998 71 4PY 0.00261 0.00451 -0.00850 0.01152 72 4PZ -0.03321 0.00153 -0.02304 -0.03468 73 5PX -0.26953 -0.29392 0.04212 -0.49906 74 5PY -0.11609 0.29619 -0.23007 0.61159 75 5PZ 0.14417 -0.16166 -0.05556 -0.72910 76 6PX 0.47436 -0.06029 0.15401 -0.25278 77 6PY 0.39595 0.43422 -0.60698 0.80722 78 6PZ -0.14034 0.07032 0.11065 0.12905 79 7D 0 -0.02264 -0.01421 0.00243 0.01347 80 7D+1 0.03442 0.00851 -0.00585 0.01083 81 7D-1 0.02351 0.00339 -0.00127 -0.00551 82 7D+2 -0.00661 0.01109 -0.00477 0.00330 83 7D-2 -0.00276 -0.01528 -0.02168 -0.01203 84 8D 0 0.07580 0.05361 -0.00605 -0.08435 85 8D+1 -0.13429 -0.03339 0.01917 -0.08644 86 8D-1 -0.08861 -0.00200 -0.00701 0.05235 87 8D+2 0.02658 -0.04452 0.02599 -0.02233 88 8D-2 0.00590 0.06696 0.08297 0.07302 89 5 Cu 1S 0.42880 1.23745 -0.01305 -0.53721 90 2S 0.80222 2.30465 -0.01311 -0.80241 91 3S -1.06969 -3.10521 -2.33334 -2.57455 92 4PX -0.01023 -0.02823 -0.01473 0.01084 93 4PY -0.00823 0.01693 0.01805 0.01268 94 4PZ -0.00685 -0.01033 0.00673 0.02573 95 5PX -0.09449 -0.71171 0.13058 0.81197 96 5PY -0.28960 -0.06305 -0.42879 0.20051 97 5PZ -0.24784 -0.37426 -0.04208 0.11662 98 6PX -0.11777 0.47164 0.32892 0.39107 99 6PY -1.24050 -0.24998 0.23632 -0.05111 100 6PZ -0.33930 -0.35939 0.62448 0.97993 101 7D 0 0.00714 0.02981 0.00196 -0.00213 102 7D+1 -0.01395 -0.02222 0.00407 -0.00734 103 7D-1 -0.02334 -0.02304 0.01254 -0.01635 104 7D+2 0.02985 -0.02990 -0.03177 0.00652 105 7D-2 -0.00344 0.00731 0.02426 0.00764 106 8D 0 -0.02360 -0.12239 -0.01556 0.01255 107 8D+1 0.06504 0.10633 -0.01242 0.00203 108 8D-1 0.09680 0.08587 -0.05388 0.06934 109 8D+2 -0.10617 0.13414 0.14081 -0.05714 110 8D-2 0.02896 -0.04456 -0.09640 -0.05457 111 6 Cu 1S 0.38715 -0.29345 -0.96307 -0.25999 112 2S 0.70257 -0.52685 -1.64968 -0.43738 113 3S -1.95693 1.76251 0.41600 -2.21670 114 4PX -0.00463 0.00857 -0.00445 0.00095 115 4PY -0.00276 0.00297 0.03884 -0.00640 116 4PZ 0.03181 -0.03038 -0.00836 -0.00228 117 5PX 0.17696 -0.12588 0.06349 -0.02604 118 5PY -0.21215 0.27943 0.12436 0.57878 119 5PZ -0.31295 0.37108 -0.53558 -0.42296 120 6PX -0.23174 0.24267 -0.64008 -0.17071 121 6PY 0.61911 -0.43760 1.89811 0.21679 122 6PZ 0.51758 -0.33594 0.71871 0.19081 123 7D 0 0.04186 -0.05150 0.01656 0.00033 124 7D+1 -0.03194 0.00783 0.00174 0.00253 125 7D-1 0.01036 -0.02193 -0.01115 -0.00538 126 7D+2 0.01531 -0.00959 0.02288 0.00710 127 7D-2 -0.00343 -0.00592 0.01057 0.00399 128 8D 0 -0.14429 0.18462 -0.07526 -0.01125 129 8D+1 0.11522 -0.02803 -0.00045 -0.00875 130 8D-1 -0.05380 0.10057 0.06016 0.03063 131 8D+2 -0.06284 0.04264 -0.07422 -0.03320 132 8D-2 0.01019 0.01967 -0.03792 -0.01935 133 7 Cu 1S -1.26046 -0.46916 -0.13425 -0.54930 134 2S -2.35285 -0.88316 -0.24185 -0.83222 135 3S 3.55392 1.00122 -2.51753 -3.30138 136 4PX -0.02343 -0.01218 0.00389 -0.02148 137 4PY -0.02694 0.00501 0.02109 0.00891 138 4PZ 0.00298 0.00294 0.00939 0.01917 139 5PX -0.68580 -0.34888 -0.12276 -0.93374 140 5PY -0.02926 0.10553 -0.58800 -0.24097 141 5PZ 0.16039 0.14620 -0.07201 -0.20329 142 6PX 0.32060 -0.59012 -0.45268 -0.53202 143 6PY 0.17176 1.11323 -0.14306 -0.55143 144 6PZ 0.31687 0.25244 0.30392 0.49815 145 7D 0 -0.03476 -0.02211 -0.01034 0.00240 146 7D+1 -0.00104 -0.01793 -0.01175 0.01458 147 7D-1 0.02109 0.01538 0.00263 -0.01118 148 7D+2 0.03063 -0.01801 -0.00713 0.00276 149 7D-2 0.01138 -0.01457 -0.03207 0.00677 150 8D 0 0.14590 0.08879 0.03902 0.00824 151 8D+1 0.01472 0.07743 0.05333 -0.05619 152 8D-1 -0.07935 -0.05806 -0.01331 0.05602 153 8D+2 -0.12479 0.04987 0.03769 -0.05320 154 8D-2 -0.06636 0.06340 0.13286 -0.04024 155 8 Cu 1S 1.03930 -1.14241 -0.22155 -0.29507 156 2S 1.89919 -2.10672 -0.34288 -0.45074 157 3S -3.02203 2.71595 -0.85236 -1.60146 158 4PX 0.00487 -0.01229 -0.00105 -0.00287 159 4PY -0.03094 0.02467 -0.01281 0.00210 160 4PZ -0.01744 0.01184 0.00903 0.00580 161 5PX 0.25334 -0.17519 0.01419 -0.11703 162 5PY -0.37832 0.79056 0.48382 0.66288 163 5PZ -0.21423 0.40606 -0.20378 -0.02789 164 6PX -0.97240 -0.71680 -0.24601 0.06992 165 6PY -0.07740 -0.39164 -0.42868 0.20055 166 6PZ -0.03803 -0.20638 2.06477 0.48812 167 7D 0 0.00974 -0.01304 -0.02257 -0.00197 168 7D+1 0.00644 -0.00991 0.02209 0.00646 169 7D-1 -0.00074 0.02261 -0.00156 -0.00461 170 7D+2 0.01497 -0.05545 0.03067 0.01478 171 7D-2 0.03661 -0.00564 0.02591 0.01043 172 8D 0 -0.03132 0.04680 0.09355 0.01511 173 8D+1 -0.03681 0.04973 -0.09050 -0.02837 174 8D-1 0.02477 -0.10697 0.01077 0.01785 175 8D+2 -0.07762 0.23004 -0.11945 -0.05679 176 8D-2 -0.14582 0.04335 -0.10380 -0.04167 177 9 C 1S 0.00347 -0.00564 0.01500 -0.04884 178 2S 0.23546 -0.28057 0.36852 -0.97655 179 3S -0.61177 0.87730 -0.83939 4.56077 180 4PX -0.10589 -0.07446 0.02295 -0.01768 181 4PY 0.04396 -0.06820 -0.06923 0.13697 182 4PZ 0.00512 -0.03490 -0.06551 -0.02306 183 5PX 0.89608 0.48560 0.54666 -1.07050 184 5PY -0.55526 0.92340 -2.21306 3.70234 185 5PZ -0.13603 0.44556 -0.70665 2.20962 186 10 O 1S -0.00307 0.00253 0.00018 -0.01028 187 2S 0.17268 -0.17298 0.56634 -0.49472 188 3S -0.41902 0.42792 -1.70724 1.73168 189 4PX 0.08719 0.08161 0.02574 -0.04610 190 4PY 0.00825 0.03128 -0.10778 0.15702 191 4PZ 0.02985 0.00430 -0.01155 0.10224 192 5PX -0.34065 -0.32476 -0.00927 0.14177 193 5PY -0.05141 -0.10276 0.07306 -0.41848 194 5PZ -0.10750 -0.02760 -0.10505 -0.37886 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 2.00437 2 2S 0.00933 0.30157 3 3S 0.05719 -0.17902 1.17144 4 4PX -0.00004 -0.00109 0.02493 1.99871 5 4PY -0.00082 0.00220 -0.05049 -0.00120 2.00334 6 4PZ 0.00281 0.00933 -0.12364 0.00001 0.00060 7 5PX 0.00076 0.00149 0.01294 0.02216 0.00017 8 5PY -0.00102 -0.01220 0.00705 -0.00088 0.01793 9 5PZ -0.00734 0.00236 -0.12787 -0.00329 0.00559 10 6PX 0.00146 -0.00319 0.01830 -0.04287 -0.01575 11 6PY -0.00809 0.00931 -0.08005 -0.01474 -0.00365 12 6PZ -0.01767 0.12223 -0.23995 -0.00983 0.02438 13 7D 0 0.00082 0.03641 0.29391 -0.00041 0.00031 14 7D+1 -0.00021 -0.00456 -0.02421 -0.00394 -0.00047 15 7D-1 0.00074 -0.01085 -0.11897 0.00000 -0.00564 16 7D+2 0.00093 0.02175 0.17053 0.00283 -0.00313 17 7D-2 0.00002 0.01347 0.11795 -0.00328 -0.00128 18 8D 0 0.00116 0.01216 0.09955 -0.00025 0.00001 19 8D+1 -0.00017 -0.00237 -0.00806 -0.00187 0.00026 20 8D-1 0.00020 -0.00162 -0.03959 0.00046 -0.00201 21 8D+2 0.00074 0.00536 0.05877 0.00003 0.00091 22 8D-2 0.00027 0.00317 0.04042 -0.00002 0.00075 23 2 Cu 1S -0.00446 -0.00701 -0.00602 -0.00035 0.00143 24 2S -0.00860 0.09044 -0.24491 -0.00794 0.03418 25 3S -0.00315 0.01420 -0.32438 -0.01081 0.03383 26 4PX 0.00032 0.00840 -0.01074 0.00578 0.00254 27 4PY -0.00167 -0.02945 0.02986 0.00281 -0.00546 28 4PZ -0.00046 -0.02030 0.03731 0.00092 -0.00187 29 5PX 0.00068 -0.01407 0.06022 -0.01897 -0.01541 30 5PY -0.00318 0.03568 -0.25653 -0.01721 0.04247 31 5PZ -0.00082 0.05186 -0.07973 -0.00688 0.01850 32 6PX 0.00201 -0.00909 0.03418 0.02033 0.00295 33 6PY -0.00098 0.01075 -0.05534 0.00213 0.00392 34 6PZ -0.00261 -0.00861 -0.01423 0.00105 0.00250 35 7D 0 0.00119 -0.00098 -0.06463 0.00111 -0.00527 36 7D+1 -0.00037 -0.02068 -0.00040 -0.00437 -0.00873 37 7D-1 0.00034 0.05041 0.08502 -0.00777 0.02302 38 7D+2 0.00029 -0.05805 -0.02611 0.01094 -0.02298 39 7D-2 0.00002 -0.03098 -0.02890 -0.00514 -0.01502 40 8D 0 0.00022 -0.00329 -0.01702 -0.00003 -0.00019 41 8D+1 -0.00016 -0.00629 -0.00121 -0.00192 -0.00196 42 8D-1 0.00033 0.01718 0.02736 -0.00185 0.00397 43 8D+2 -0.00014 -0.02066 -0.00751 0.00313 -0.00362 44 8D-2 -0.00013 -0.01096 -0.00925 -0.00314 -0.00296 45 3 Cu 1S -0.00343 -0.01095 0.00732 -0.00271 -0.00017 46 2S -0.01045 0.03172 -0.18256 -0.03538 0.00442 47 3S -0.00802 -0.02368 -0.04480 -0.00467 -0.00281 48 4PX 0.00075 0.00991 0.03269 0.00206 -0.00011 49 4PY 0.00078 0.00342 -0.00040 -0.00174 0.00457 50 4PZ -0.00147 -0.02480 -0.01014 0.00157 -0.00155 51 5PX 0.00370 -0.00780 0.03035 -0.00335 0.00166 52 5PY -0.00008 0.00205 -0.00985 0.00030 -0.00960 53 5PZ -0.00419 0.04870 -0.05496 -0.00952 0.00307 54 6PX 0.00144 -0.01374 0.01873 0.00280 -0.00036 55 6PY 0.00218 -0.00504 0.01526 0.00377 0.00332 56 6PZ -0.00078 0.00278 -0.03330 0.01394 -0.00043 57 7D 0 0.00116 0.01618 0.14124 -0.01455 -0.00078 58 7D+1 -0.00119 -0.04357 -0.29594 0.01690 -0.00154 59 7D-1 0.00100 0.01879 0.06927 -0.00551 -0.00631 60 7D+2 0.00117 0.01694 0.11694 -0.00410 -0.00077 61 7D-2 -0.00098 -0.00517 -0.11870 -0.00030 0.00172 62 8D 0 0.00026 0.00576 0.04618 -0.00484 0.00017 63 8D+1 -0.00014 -0.01496 -0.10120 0.00354 -0.00055 64 8D-1 0.00033 0.00699 0.02270 -0.00209 -0.00290 65 8D+2 0.00037 0.00576 0.03986 -0.00025 0.00010 66 8D-2 -0.00036 -0.00218 -0.03770 -0.00031 0.00098 67 4 Cu 1S -0.00335 -0.01091 0.00696 0.00148 0.00055 68 2S -0.01054 0.02924 -0.17961 0.01695 0.01393 69 3S -0.00922 -0.02514 -0.04727 0.00046 -0.00163 70 4PX -0.00047 -0.00164 -0.02400 0.00314 -0.00006 71 4PY 0.00058 0.00098 -0.00818 0.00090 0.00508 72 4PZ -0.00160 -0.02659 -0.01853 -0.00079 -0.00199 73 5PX -0.00205 -0.01084 -0.00354 -0.00867 -0.00190 74 5PY -0.00131 0.00170 -0.01939 -0.00067 -0.01042 75 5PZ -0.00547 0.04668 -0.06086 0.00493 0.00522 76 6PX -0.00110 0.00500 0.00156 0.00925 0.00403 77 6PY 0.00098 0.00442 -0.00007 0.00162 0.00384 78 6PZ -0.00125 0.00777 -0.03685 -0.00940 -0.00525 79 7D 0 0.00157 0.03530 0.28066 0.01200 0.00662 80 7D+1 0.00005 0.02045 0.12202 -0.00315 0.00338 81 7D-1 0.00157 0.03106 0.18727 0.00603 -0.00247 82 7D+2 0.00017 0.00178 -0.04762 0.00156 -0.00087 83 7D-2 0.00099 0.00295 0.09224 -0.00259 -0.00111 84 8D 0 0.00020 0.01226 0.09424 0.00362 0.00239 85 8D+1 -0.00017 0.00656 0.04389 -0.00257 0.00072 86 8D-1 0.00040 0.01115 0.06217 0.00178 -0.00181 87 8D+2 0.00008 0.00039 -0.01488 0.00027 0.00005 88 8D-2 0.00037 0.00099 0.02965 -0.00143 -0.00040 89 5 Cu 1S -0.00252 -0.00549 -0.00183 -0.00396 0.00112 90 2S -0.00475 0.14474 -0.22368 -0.04450 0.02329 91 3S -0.00859 0.08078 -0.19968 -0.01574 0.00731 92 4PX -0.00010 0.01777 0.08106 0.00182 0.00099 93 4PY 0.00100 -0.00165 -0.03237 -0.00143 0.00236 94 4PZ 0.00143 0.00595 -0.01547 -0.00298 0.00151 95 5PX 0.00279 -0.04314 0.07005 -0.00004 -0.00307 96 5PY -0.00133 0.01640 -0.04040 -0.00511 -0.00484 97 5PZ -0.00002 0.01020 0.01689 0.00314 0.00006 98 6PX 0.00150 0.01024 0.03490 -0.00424 0.00235 99 6PY 0.00024 -0.00902 -0.00857 0.01069 0.00258 100 6PZ 0.00445 -0.02474 0.04068 0.00808 -0.00381 101 7D 0 -0.00178 -0.03445 -0.16095 0.02023 -0.00809 102 7D+1 -0.00103 0.00200 0.02074 -0.00762 0.00284 103 7D-1 0.00004 -0.00188 0.01486 0.00496 -0.00011 104 7D+2 0.00139 0.03585 0.11206 -0.01678 0.01684 105 7D-2 -0.00314 -0.05561 -0.30142 0.02764 0.00116 106 8D 0 -0.00100 -0.01226 -0.05416 0.00391 -0.00143 107 8D+1 -0.00013 0.00213 0.00529 -0.00130 0.00030 108 8D-1 -0.00006 -0.00042 0.00487 0.00139 0.00001 109 8D+2 0.00113 0.01306 0.03804 -0.00160 0.00516 110 8D-2 -0.00169 -0.01970 -0.10052 0.00619 0.00228 111 6 Cu 1S -0.00328 -0.00733 0.00507 -0.00002 -0.00285 112 2S -0.00716 0.08551 -0.11657 0.00425 -0.04585 113 3S -0.00444 0.00772 -0.10402 -0.00377 0.00219 114 4PX 0.00022 0.00354 -0.00539 0.00215 -0.00051 115 4PY 0.00082 0.00795 0.04614 -0.00060 0.00249 116 4PZ -0.00184 -0.02470 -0.02838 -0.00063 0.00113 117 5PX -0.00021 -0.01062 0.00530 -0.00802 0.00106 118 5PY 0.00247 -0.00573 0.02039 0.00180 -0.00568 119 5PZ -0.00188 0.05740 -0.04554 0.00096 -0.00629 120 6PX -0.00225 0.01717 -0.04757 0.00294 0.00147 121 6PY 0.00547 -0.03137 0.13399 0.00205 -0.00803 122 6PZ 0.00329 -0.03322 0.06053 -0.00007 0.00705 123 7D 0 0.00029 0.01041 -0.04017 -0.00045 -0.01268 124 7D+1 -0.00002 0.00679 0.04363 -0.01059 -0.00199 125 7D-1 -0.00140 -0.06237 -0.31975 -0.00083 0.02602 126 7D+2 -0.00128 -0.02538 -0.21303 -0.00020 0.00772 127 7D-2 -0.00018 0.00236 -0.02667 0.00833 -0.00038 128 8D 0 0.00024 0.00390 -0.01693 -0.00006 -0.00408 129 8D+1 -0.00009 0.00222 0.01550 -0.00456 -0.00068 130 8D-1 -0.00085 -0.02242 -0.10846 -0.00034 0.00527 131 8D+2 -0.00090 -0.00938 -0.07503 -0.00013 0.00019 132 8D-2 -0.00018 0.00073 -0.00993 0.00371 -0.00027 133 7 Cu 1S -0.00256 -0.00543 -0.00147 0.00335 0.00228 134 2S -0.00505 0.14143 -0.21525 0.03440 0.03720 135 3S -0.01078 0.08603 -0.21017 0.01034 0.01104 136 4PX -0.00078 -0.01719 -0.05701 0.00127 -0.00191 137 4PY 0.00081 -0.00832 -0.05217 0.00129 0.00245 138 4PZ 0.00117 -0.00092 -0.03702 0.00215 0.00198 139 5PX -0.00241 0.02930 -0.05119 -0.00316 0.00340 140 5PY -0.00265 0.03020 -0.06433 0.00422 -0.00250 141 5PZ -0.00096 0.02409 -0.00837 -0.00133 0.00037 142 6PX -0.00228 -0.00126 -0.03419 0.00120 -0.00070 143 6PY -0.00188 -0.00269 -0.04187 -0.01088 -0.00243 144 6PZ 0.00260 -0.01876 0.01162 -0.00898 -0.00859 145 7D 0 -0.00085 -0.02685 -0.13839 -0.01357 -0.01262 146 7D+1 0.00144 0.01853 0.06121 0.00727 0.01010 147 7D-1 0.00150 0.02420 0.13998 0.00892 0.00516 148 7D+2 -0.00132 -0.01033 -0.10515 -0.00976 0.00962 149 7D-2 0.00269 0.06038 0.30051 0.02634 0.01998 150 8D 0 -0.00063 -0.01034 -0.04554 -0.00223 -0.00181 151 8D+1 0.00064 0.00563 0.02159 0.00126 0.00280 152 8D-1 0.00067 0.00842 0.04685 0.00221 0.00074 153 8D+2 -0.00033 -0.00296 -0.03461 -0.00446 0.00361 154 8D-2 0.00171 0.02178 0.10019 0.00458 0.00323 155 8 Cu 1S -0.00201 -0.00302 -0.01693 0.00193 -0.00583 156 2S -0.00096 0.17112 -0.16182 0.01548 -0.05243 157 3S -0.00754 0.13638 -0.34133 0.00651 -0.02019 158 4PX -0.00001 -0.00467 -0.03371 0.00104 0.00017 159 4PY -0.00083 0.01158 0.11988 -0.00063 0.00263 160 4PZ 0.00076 0.00775 -0.00547 0.00061 -0.00257 161 5PX -0.00032 0.01175 -0.02839 -0.00689 -0.00298 162 5PY 0.00197 -0.04883 0.09193 -0.00235 -0.00046 163 5PZ 0.00052 -0.00103 0.04148 -0.00144 0.00489 164 6PX -0.00082 -0.00061 -0.01936 0.00508 0.00310 165 6PY 0.00033 0.01899 0.01276 0.00275 -0.00001 166 6PZ 0.00707 -0.04053 0.11300 0.00216 -0.00791 167 7D 0 -0.00233 -0.04882 -0.06865 -0.00615 0.02065 168 7D+1 0.00026 -0.00259 -0.04846 0.00172 0.00414 169 7D-1 -0.00020 0.02692 0.06185 0.00606 -0.01730 170 7D+2 -0.00302 -0.05760 -0.18831 -0.01798 0.02519 171 7D-2 -0.00156 -0.03647 -0.10644 0.01057 0.02175 172 8D 0 -0.00133 -0.01636 -0.02491 -0.00128 0.00437 173 8D+1 -0.00016 -0.00194 -0.01566 0.00091 0.00085 174 8D-1 0.00029 0.01010 0.01906 0.00155 -0.00370 175 8D+2 -0.00233 -0.02177 -0.06527 -0.00573 0.00415 176 8D-2 -0.00137 -0.01385 -0.03680 0.00574 0.00508 177 9 C 1S 0.00061 0.01633 -0.02764 -0.00103 0.00416 178 2S 0.00091 -0.03250 0.07476 0.00318 -0.01226 179 3S 0.00275 -0.05306 0.10887 -0.00075 -0.00211 180 4PX -0.00029 0.00684 -0.04633 -0.00945 0.00006 181 4PY 0.00077 -0.04190 0.17392 -0.00028 -0.00797 182 4PZ 0.00102 0.00997 0.08339 0.00025 -0.00308 183 5PX -0.00042 0.00383 0.00228 -0.00176 -0.00101 184 5PY 0.00116 -0.02262 -0.00119 -0.00122 0.00210 185 5PZ 0.00101 0.00371 -0.01536 -0.00039 0.00102 186 10 O 1S 0.00047 -0.00152 -0.01322 0.00029 -0.00116 187 2S -0.00130 0.00663 0.02060 -0.00092 0.00363 188 3S -0.00088 0.00015 0.05894 -0.00071 0.00351 189 4PX 0.00002 -0.00306 0.03791 0.00889 0.00026 190 4PY 0.00004 0.02416 -0.17134 0.00072 0.00594 191 4PZ -0.00048 -0.01298 -0.02737 -0.00005 0.00265 192 5PX 0.00003 -0.00114 0.00714 0.00467 0.00073 193 5PY 0.00010 0.01318 -0.04139 0.00116 0.00103 194 5PZ -0.00042 -0.01015 0.00691 0.00027 0.00047 6 7 8 9 10 6 4PZ 1.99684 7 5PX -0.00351 0.12705 8 5PY 0.00853 -0.02789 0.18754 9 5PZ 0.04026 -0.00578 0.03518 0.10442 10 6PX -0.00557 0.05759 -0.01183 0.00877 0.43796 11 6PY 0.01709 0.00129 0.01723 -0.01275 -0.08705 12 6PZ -0.01006 0.00455 0.00389 0.01686 0.03154 13 7D 0 -0.00430 0.00913 -0.04308 0.05238 0.00238 14 7D+1 0.00062 0.04761 0.00475 -0.01440 0.14105 15 7D-1 -0.00155 0.00645 0.08980 0.00552 0.04766 16 7D+2 -0.00101 -0.02416 -0.02014 -0.03185 -0.01418 17 7D-2 -0.00085 0.07130 -0.00353 0.00070 0.09840 18 8D 0 -0.00160 0.00295 -0.01447 0.01557 0.00121 19 8D+1 0.00038 0.01428 0.00151 -0.00440 0.04868 20 8D-1 -0.00180 0.00261 0.02819 0.00079 0.01563 21 8D+2 -0.00014 -0.00799 -0.00754 -0.01088 -0.00723 22 8D-2 0.00034 0.02461 -0.00099 0.00057 0.03547 23 2 Cu 1S 0.00027 -0.00229 0.00876 0.00299 -0.00450 24 2S 0.00744 0.01513 -0.06592 0.00566 -0.00169 25 3S 0.02541 -0.02138 0.06487 0.03937 -0.11041 26 4PX 0.00118 -0.01285 -0.00932 -0.00327 0.02979 27 4PY -0.00321 -0.01198 0.03199 0.01198 0.00225 28 4PZ 0.00329 -0.00289 0.00651 -0.00973 -0.00632 29 5PX -0.00904 0.02491 0.00269 -0.00580 0.08217 30 5PY 0.02982 -0.00176 0.01276 0.02533 -0.02201 31 5PZ -0.00334 -0.00152 -0.00187 0.03344 0.01469 32 6PX 0.00037 -0.00741 0.01168 0.00102 -0.05952 33 6PY 0.00387 -0.00050 -0.00560 0.00664 -0.02523 34 6PZ 0.00883 0.00614 -0.02728 -0.01198 -0.03282 35 7D 0 -0.01218 -0.00356 0.00015 0.04728 0.00588 36 7D+1 -0.00029 0.00220 0.04244 0.00225 -0.11780 37 7D-1 0.00312 0.03004 -0.10834 -0.04579 -0.01629 38 7D+2 -0.01102 -0.02712 0.10202 0.03405 0.02467 39 7D-2 -0.00661 -0.02478 0.05542 0.01905 -0.11213 40 8D 0 -0.00372 -0.00176 0.00118 0.01552 0.00286 41 8D+1 0.00041 -0.00016 0.01404 0.00075 -0.03946 42 8D-1 -0.00097 0.00977 -0.03722 -0.01565 -0.00558 43 8D+2 -0.00225 -0.00853 0.03551 0.01175 0.00908 44 8D-2 -0.00147 -0.01018 0.01874 0.00615 -0.03832 45 3 Cu 1S 0.00337 -0.00419 0.00282 0.00420 -0.00511 46 2S 0.03607 0.06786 -0.02479 -0.05055 -0.02716 47 3S 0.01736 -0.01346 0.01483 0.01616 -0.14803 48 4PX 0.00305 0.00055 0.00338 -0.01668 0.01696 49 4PY 0.00013 0.00742 -0.02138 -0.00402 -0.02054 50 4PZ 0.00263 -0.00985 -0.00183 -0.00191 0.01868 51 5PX -0.01255 0.00921 -0.00264 0.00361 0.03915 52 5PY 0.00385 -0.00598 0.01938 0.00310 -0.00349 53 5PZ 0.00178 0.00256 -0.00319 0.01832 -0.02795 54 6PX 0.00670 0.01406 -0.01129 -0.01159 -0.03761 55 6PY -0.00639 -0.00755 0.03074 0.00785 0.02114 56 6PZ 0.00098 -0.00355 -0.00032 0.01539 -0.04442 57 7D 0 0.00462 0.04220 -0.00778 -0.06716 -0.06554 58 7D+1 -0.02360 -0.08313 0.02324 0.11789 0.05935 59 7D-1 0.00136 0.04512 -0.01155 0.00262 -0.00131 60 7D+2 0.00964 0.03462 -0.02728 -0.03695 -0.01086 61 7D-2 -0.00323 -0.01627 0.04701 0.03497 0.04024 62 8D 0 -0.00012 0.01300 -0.00184 -0.02256 -0.02170 63 8D+1 -0.00628 -0.02817 0.00756 0.04023 0.02229 64 8D-1 0.00090 0.01481 -0.00404 0.00186 -0.00011 65 8D+2 0.00303 0.01266 -0.00958 -0.01271 -0.00487 66 8D-2 -0.00116 -0.00523 0.01641 0.01118 0.01256 67 4 Cu 1S 0.00407 0.00092 0.00427 0.00546 0.00461 68 2S 0.04523 -0.02781 -0.03973 -0.06654 0.04044 69 3S 0.01914 0.00268 0.00959 0.01561 0.18134 70 4PX -0.00276 -0.00790 0.00341 0.01512 0.00071 71 4PY -0.00047 0.00128 -0.02062 0.00134 0.03416 72 4PZ 0.00107 0.00876 0.00299 0.00784 0.00139 73 5PX 0.00679 0.01082 -0.00095 -0.00784 0.02415 74 5PY 0.00767 -0.00004 0.01958 0.00183 0.00728 75 5PZ 0.00825 -0.00287 -0.00453 0.01478 0.04286 76 6PX -0.00160 0.00664 0.00622 0.00471 -0.02273 77 6PY -0.00843 -0.00245 0.03143 0.00943 0.02668 78 6PZ -0.00454 0.00014 0.00066 0.01922 0.02300 79 7D 0 0.02273 -0.02120 -0.02892 -0.13718 0.09994 80 7D+1 0.01564 -0.00826 -0.01369 -0.05783 -0.08351 81 7D-1 0.01304 -0.03393 -0.05924 -0.06324 0.02267 82 7D+2 -0.00061 -0.01491 0.01436 0.01978 -0.00414 83 7D-2 0.00319 0.01491 -0.03917 -0.02864 0.09184 84 8D 0 0.00517 -0.00653 -0.00889 -0.04639 0.03474 85 8D+1 0.00432 -0.00359 -0.00508 -0.02064 -0.02689 86 8D-1 0.00437 -0.01150 -0.02044 -0.02042 0.00768 87 8D+2 -0.00011 -0.00549 0.00464 0.00620 0.00044 88 8D-2 0.00092 0.00476 -0.01399 -0.00973 0.03000 89 5 Cu 1S -0.00018 -0.00301 0.00204 0.00146 -0.01188 90 2S -0.00905 0.08814 -0.05450 0.03874 -0.02422 91 3S 0.00397 -0.04422 0.01651 0.02034 -0.18055 92 4PX 0.00118 0.00293 -0.00092 -0.00283 0.02893 93 4PY -0.00092 0.00055 -0.02278 -0.00081 -0.05033 94 4PZ 0.00145 0.01443 -0.00930 -0.00564 -0.01606 95 5PX -0.00351 0.02225 -0.00267 0.00004 0.04309 96 5PY 0.00464 -0.01159 0.00837 -0.00126 0.00191 97 5PZ -0.00556 -0.01031 0.00540 0.00816 0.01754 98 6PX -0.00664 0.01117 -0.00476 -0.00168 0.00921 99 6PY 0.00234 -0.00891 -0.00206 -0.00109 -0.04585 100 6PZ 0.00479 0.00090 0.00200 -0.00066 -0.06931 101 7D 0 0.00392 -0.10115 0.03369 0.00252 0.00151 102 7D+1 0.01281 0.01362 0.03034 -0.06309 -0.04721 103 7D-1 -0.00471 0.00665 0.03838 0.02261 0.11255 104 7D+2 -0.00635 0.05382 -0.12868 0.02341 -0.10176 105 7D-2 0.00657 -0.15007 -0.00343 -0.00204 -0.00232 106 8D 0 0.00043 -0.03355 0.01103 0.00082 0.00180 107 8D+1 0.00540 0.00666 0.00920 -0.02081 -0.01827 108 8D-1 -0.00229 0.00186 0.01291 0.00724 0.03712 109 8D+2 -0.00151 0.01891 -0.04323 0.00796 -0.03563 110 8D-2 0.00094 -0.04948 -0.00100 -0.00050 0.00021 111 6 Cu 1S 0.00392 -0.00021 -0.00187 0.00179 0.00015 112 2S 0.02664 -0.01144 0.08144 -0.03175 0.00511 113 3S 0.01931 0.01060 -0.04040 0.00669 0.01581 114 4PX -0.00083 -0.00891 0.00206 0.00280 -0.04537 115 4PY 0.00245 0.00466 -0.01061 -0.01727 -0.00726 116 4PZ 0.00353 -0.00084 -0.00221 -0.00309 -0.03253 117 5PX 0.00216 0.01286 -0.00289 -0.00458 -0.00330 118 5PY -0.01271 -0.00641 0.02635 0.01330 -0.01045 119 5PZ -0.00326 -0.00184 0.00050 0.02081 -0.00388 120 6PX 0.00039 -0.00494 -0.01021 -0.00369 -0.02842 121 6PY 0.00098 -0.00451 0.02154 -0.00399 0.04349 122 6PZ -0.00173 -0.00499 0.01742 0.00944 0.04022 123 7D 0 -0.00254 0.00415 0.08012 -0.00922 0.01446 124 7D+1 0.00095 0.06632 -0.00306 0.00233 0.00785 125 7D-1 -0.02487 -0.00029 -0.08257 0.11869 0.04490 126 7D+2 -0.01461 0.00366 -0.03488 0.06374 -0.05685 127 7D-2 0.00042 -0.03486 -0.00699 -0.00428 0.09525 128 8D 0 -0.00302 0.00183 0.02698 -0.00350 0.00472 129 8D+1 0.00056 0.02281 -0.00113 0.00104 0.00112 130 8D-1 -0.00509 -0.00017 -0.02761 0.04058 0.01409 131 8D+2 -0.00336 0.00128 -0.01261 0.02191 -0.01811 132 8D-2 0.00031 -0.01157 -0.00275 -0.00146 0.03034 133 7 Cu 1S 0.00118 0.00116 0.00338 0.00241 0.01193 134 2S 0.00526 -0.06689 -0.07784 0.01108 0.02043 135 3S 0.01209 0.02641 0.01530 0.03046 0.15758 136 4PX -0.00097 0.00099 0.01218 0.00617 0.00016 137 4PY -0.00070 0.00920 -0.01656 0.00266 0.08092 138 4PZ 0.00205 -0.00593 -0.00949 -0.00773 0.01575 139 5PX 0.00320 0.01240 0.00098 0.00161 0.03978 140 5PY 0.00791 0.01304 0.01209 0.00394 0.01704 141 5PZ -0.00515 0.00940 0.00897 0.01243 -0.00930 142 6PX 0.00363 0.00345 0.00788 0.00412 -0.04106 143 6PY 0.00154 0.01287 -0.00305 0.00344 0.05439 144 6PZ 0.00455 0.00098 -0.00030 0.00127 0.04534 145 7D 0 -0.00994 0.06676 0.02512 0.06718 0.08117 146 7D+1 -0.00778 -0.00976 -0.09409 0.03421 0.20603 147 7D-1 -0.00851 -0.07787 -0.02660 0.01443 -0.26902 148 7D+2 -0.00029 0.07671 -0.04297 0.02958 0.14017 149 7D-2 0.00582 -0.09036 -0.11142 -0.04210 0.22146 150 8D 0 -0.00366 0.02290 0.00893 0.02259 0.02447 151 8D+1 -0.00320 -0.00253 -0.03057 0.01170 0.06795 152 8D-1 -0.00358 -0.02514 -0.00840 0.00476 -0.09000 153 8D+2 -0.00075 0.02420 -0.01503 0.00956 0.04684 154 8D-2 0.00200 -0.03054 -0.03798 -0.01419 0.07594 155 8 Cu 1S -0.00161 -0.00158 0.00308 0.00384 0.00399 156 2S -0.01552 -0.04423 0.12994 0.06174 -0.00368 157 3S 0.00272 0.01376 -0.05410 0.03293 0.06772 158 4PX -0.00040 -0.01063 -0.00387 0.00156 -0.10477 159 4PY 0.00182 -0.00102 -0.00209 -0.00979 -0.05362 160 4PZ 0.00071 -0.00534 0.01537 -0.00327 -0.02919 161 5PX 0.00025 0.00353 -0.00463 -0.00129 -0.01093 162 5PY -0.00340 -0.01022 0.03645 0.00792 -0.00713 163 5PZ -0.00706 0.00277 -0.00875 -0.00060 -0.00671 164 6PX 0.00179 -0.00929 -0.00605 -0.00183 -0.08069 165 6PY -0.00693 -0.00735 0.01307 -0.00041 -0.03690 166 6PZ 0.00174 -0.00511 0.01477 0.00240 0.02268 167 7D 0 0.01249 0.03029 -0.12315 -0.04620 0.07172 168 7D+1 -0.00424 0.00086 -0.01549 0.01812 0.18817 169 7D-1 0.01215 -0.03083 0.03706 -0.07999 0.00191 170 7D+2 0.01158 0.14835 -0.16940 -0.07145 0.18475 171 7D-2 0.00740 -0.11936 -0.13610 -0.06125 -0.43008 172 8D 0 0.00345 0.00938 -0.03998 -0.01461 0.02335 173 8D+1 -0.00174 0.00016 -0.00657 0.00544 0.06259 174 8D-1 0.00627 -0.01090 0.01420 -0.02622 0.00114 175 8D+2 0.00309 0.04963 -0.05720 -0.02383 0.06074 176 8D-2 0.00208 -0.03927 -0.04646 -0.02050 -0.14303 177 9 C 1S 0.00117 0.00664 -0.02273 -0.00912 -0.01376 178 2S -0.00449 -0.01051 0.03511 0.01453 0.02766 179 3S 0.00703 -0.02259 0.07836 0.02841 0.04206 180 4PX -0.00065 0.01708 0.00089 0.00521 -0.04643 181 4PY 0.00071 0.00440 0.00761 -0.01727 0.05403 182 4PZ -0.00731 -0.00087 0.00755 0.00788 0.00128 183 5PX -0.00110 0.01470 -0.00598 -0.00257 -0.00328 184 5PY 0.00387 -0.00620 0.02936 0.01181 0.00088 185 5PZ 0.00029 -0.00407 0.01606 0.01585 -0.00938 186 10 O 1S -0.00038 -0.00279 0.00842 0.00425 -0.01319 187 2S 0.00106 0.00654 -0.02044 -0.00963 0.02401 188 3S 0.00122 0.00829 -0.02443 -0.01579 0.03118 189 4PX 0.00075 -0.02149 -0.00712 -0.00900 -0.08890 190 4PY -0.00106 -0.01180 0.01111 0.03153 -0.05678 191 4PZ 0.00650 -0.00421 0.00281 -0.00873 -0.05553 192 5PX 0.00086 -0.01589 -0.00168 -0.00243 -0.04078 193 5PY -0.00234 -0.00316 -0.00404 0.00666 -0.01728 194 5PZ 0.00281 -0.00045 -0.00391 -0.01128 -0.01698 11 12 13 14 15 11 6PY 0.50714 12 6PZ 0.06804 0.15649 13 7D 0 -0.00470 0.10385 1.51005 14 7D+1 0.02283 -0.02695 -0.00362 1.50002 15 7D-1 0.07577 0.01959 0.00112 0.00921 1.48315 16 7D+2 -0.02746 -0.10806 -0.00682 -0.00841 0.01345 17 7D-2 0.02335 -0.02685 -0.00086 0.00378 0.01172 18 8D 0 -0.00114 0.03429 0.48560 -0.00125 0.00006 19 8D+1 0.00741 -0.00912 -0.00147 0.48160 0.00134 20 8D-1 0.02823 0.00852 0.00047 0.00125 0.48028 21 8D+2 -0.00620 -0.03707 -0.00134 -0.00081 0.00185 22 8D-2 0.00840 -0.00927 0.00049 0.00192 0.00287 23 2 Cu 1S 0.00716 0.00705 0.00067 0.00010 -0.00262 24 2S 0.01331 0.08431 -0.01972 -0.01550 0.02899 25 3S 0.28563 0.16243 -0.09777 -0.05224 0.16922 26 4PX 0.00050 0.00825 -0.00233 -0.00131 0.00399 27 4PY 0.00505 -0.01609 0.00730 0.00622 -0.02171 28 4PZ 0.02785 0.00082 0.00525 -0.00049 0.00741 29 5PX -0.01210 -0.01226 0.02705 0.04099 -0.01227 30 5PY 0.09576 0.10875 -0.08582 -0.02530 0.13079 31 5PZ -0.00391 0.02974 -0.00109 -0.00470 -0.00964 32 6PX -0.02436 -0.01955 -0.01168 -0.04101 -0.00702 33 6PY 0.06550 0.01641 -0.03029 0.00025 0.00698 34 6PZ 0.06485 0.01127 0.03903 -0.01885 -0.01633 35 7D 0 -0.09711 -0.02763 0.00904 -0.00847 0.02267 36 7D+1 0.03504 -0.00551 -0.00898 -0.01268 -0.00194 37 7D-1 -0.03295 -0.05330 0.02741 -0.00652 0.00944 38 7D+2 0.04575 -0.01486 0.01564 -0.01594 0.01613 39 7D-2 0.00716 -0.01706 0.00923 0.02065 0.01626 40 8D 0 -0.03600 -0.01192 -0.00001 -0.00083 0.00019 41 8D+1 0.01211 -0.00120 -0.00227 -0.00491 0.00119 42 8D-1 -0.01016 -0.01740 0.00757 -0.00139 -0.00159 43 8D+2 0.01194 -0.00578 0.00321 -0.00359 0.00276 44 8D-2 0.00091 -0.00624 0.00204 0.00572 0.00372 45 3 Cu 1S -0.00006 -0.00621 -0.00318 -0.00054 -0.00024 46 2S -0.01274 0.04946 -0.01451 -0.04419 0.00765 47 3S -0.08200 -0.02140 0.03717 -0.26799 0.00706 48 4PX -0.01528 0.00905 0.01444 -0.01465 0.00005 49 4PY -0.00283 -0.00824 -0.00068 0.00103 0.01199 50 4PZ -0.03005 0.00690 -0.00580 0.01943 -0.00017 51 5PX 0.00723 -0.00398 -0.02639 0.09420 -0.00032 52 5PY 0.00824 0.00158 -0.01860 -0.00046 0.01149 53 5PZ -0.00992 0.02424 0.04366 -0.08906 0.00168 54 6PX 0.06091 -0.00211 0.00451 0.01091 0.00654 55 6PY -0.08071 -0.01138 -0.01840 -0.00094 0.01215 56 6PZ 0.02576 0.00534 0.00465 -0.02447 0.00830 57 7D 0 -0.10208 -0.05054 0.02473 0.01509 0.00109 58 7D+1 -0.07253 -0.04145 0.02369 -0.04024 0.00353 59 7D-1 0.03482 -0.03306 -0.00395 0.00473 0.02018 60 7D+2 -0.02726 -0.03239 -0.03592 -0.00119 -0.00062 61 7D-2 0.08066 0.07985 0.00458 0.00239 -0.04665 62 8D 0 -0.03413 -0.01746 0.00353 0.00317 0.00142 63 8D+1 -0.02575 -0.01434 0.00503 -0.00830 0.00019 64 8D-1 0.01203 -0.01153 -0.00490 0.00204 0.00363 65 8D+2 -0.01035 -0.01024 -0.00818 -0.00300 0.00114 66 8D-2 0.02679 0.02546 0.00161 0.00076 -0.01412 67 4 Cu 1S 0.00140 -0.00430 -0.00226 0.00260 -0.00074 68 2S 0.01372 0.06603 0.01225 0.04371 0.01216 69 3S -0.02049 0.03943 0.17864 0.19687 0.09632 70 4PX 0.02677 -0.00508 -0.01046 0.00541 -0.00599 71 4PY 0.01275 -0.00131 -0.00878 -0.00689 0.01047 72 4PZ -0.02296 0.00232 -0.02167 -0.01377 -0.00907 73 5PX 0.00380 0.00208 0.03966 0.02998 0.02224 74 5PY 0.00846 0.00492 0.00524 0.02774 0.02012 75 5PZ 0.00469 0.04013 0.10922 0.07020 0.03748 76 6PX -0.02572 -0.00654 0.00854 0.00702 -0.01402 77 6PY -0.09412 -0.00854 -0.01047 0.01280 0.01340 78 6PZ 0.00331 0.01129 0.01387 0.01677 0.01169 79 7D 0 -0.01415 0.02068 -0.01635 -0.03152 -0.02243 80 7D+1 0.09462 0.05569 -0.03718 0.02100 -0.01797 81 7D-1 0.05455 -0.02760 -0.02932 -0.01573 0.03291 82 7D+2 -0.00664 -0.00300 -0.00529 0.02107 -0.02119 83 7D-2 -0.09504 -0.05784 -0.01450 0.00601 0.02745 84 8D 0 -0.00370 0.00736 -0.00403 -0.00593 -0.00360 85 8D+1 0.03331 0.02000 -0.00537 0.00477 -0.00343 86 8D-1 0.01855 -0.00894 -0.00968 -0.00239 0.00763 87 8D+2 -0.00309 -0.00113 -0.00091 0.00614 -0.00541 88 8D-2 -0.03255 -0.01819 -0.00235 0.00053 0.00968 89 5 Cu 1S -0.00193 -0.00634 0.00087 0.00479 -0.00239 90 2S 0.01926 0.06246 -0.00327 0.06087 -0.02718 91 3S 0.04093 -0.02284 -0.10151 0.12364 -0.06067 92 4PX 0.00924 0.00351 -0.01277 0.00824 -0.00650 93 4PY -0.04011 -0.00585 0.00646 -0.00539 -0.00142 94 4PZ 0.01312 0.01482 -0.01078 -0.01398 0.00725 95 5PX -0.00759 -0.00626 0.05048 -0.03589 0.03158 96 5PY -0.00212 0.00547 -0.03769 0.03120 0.01874 97 5PZ 0.00632 0.01434 0.05067 0.02761 -0.01158 98 6PX -0.03052 0.00625 0.02303 -0.01939 -0.00480 99 6PY -0.05581 -0.00582 0.00509 -0.02888 -0.02374 100 6PZ 0.02721 -0.02841 -0.02233 -0.04122 0.00908 101 7D 0 -0.09263 0.06635 -0.01208 0.02335 -0.01692 102 7D+1 0.13683 0.00585 0.01925 0.03909 -0.02392 103 7D-1 0.31937 0.10552 -0.00906 -0.02433 -0.01014 104 7D+2 -0.28328 -0.03769 0.00598 -0.00528 0.00934 105 7D-2 -0.12092 0.06204 -0.00187 0.01226 0.00410 106 8D 0 -0.03057 0.02235 -0.00309 0.00679 -0.00510 107 8D+1 0.04598 0.00191 0.00118 0.00680 -0.00568 108 8D-1 0.10696 0.03591 0.00002 -0.00479 -0.00222 109 8D+2 -0.09355 -0.01254 0.00409 -0.00103 -0.00070 110 8D-2 -0.03941 0.02077 -0.00057 0.00209 -0.00239 111 6 Cu 1S -0.00599 -0.00343 -0.00397 0.00121 0.00057 112 2S -0.06449 0.04877 -0.02011 0.01648 -0.06136 113 3S -0.08037 0.03012 -0.05112 0.02668 -0.22551 114 4PX -0.01975 -0.01423 0.00057 0.01048 0.00102 115 4PY 0.01557 -0.00576 0.01491 0.00119 -0.02512 116 4PZ 0.04459 0.02849 0.00004 0.00156 0.01677 117 5PX -0.00115 -0.00828 -0.00497 -0.01229 -0.00314 118 5PY 0.01323 0.00341 -0.01580 -0.01160 0.11114 119 5PZ -0.00748 0.02693 0.00943 -0.00299 -0.06602 120 6PX 0.05018 0.02310 0.01214 0.01308 0.01106 121 6PY -0.12692 -0.05922 0.00652 0.01565 -0.01511 122 6PZ -0.11309 -0.04399 -0.01432 0.01651 -0.02817 123 7D 0 -0.09538 0.01937 0.03436 0.00068 -0.00662 124 7D+1 0.07625 0.00724 -0.00361 0.01034 0.00548 125 7D-1 -0.00364 -0.02101 0.01157 -0.00296 -0.04367 126 7D+2 0.11271 0.03210 0.03851 0.00305 -0.01014 127 7D-2 0.06930 0.04477 -0.00187 -0.04363 0.00119 128 8D 0 -0.03255 0.00678 0.00654 -0.00047 -0.00149 129 8D+1 0.02624 0.00191 -0.00233 -0.00079 0.00234 130 8D-1 -0.00147 -0.00728 0.00433 -0.00184 -0.01184 131 8D+2 0.04025 0.01074 0.00798 0.00138 -0.00014 132 8D-2 0.02406 0.01456 -0.00123 -0.00990 0.00090 133 7 Cu 1S 0.00031 -0.00244 -0.00164 -0.00237 -0.00440 134 2S 0.04852 0.07477 -0.02949 -0.02187 -0.03406 135 3S 0.07160 0.03072 -0.15379 0.00948 -0.03056 136 4PX -0.00043 -0.00571 0.01083 -0.00495 -0.00642 137 4PY -0.02981 0.01401 0.01018 -0.00820 -0.00452 138 4PZ 0.01368 0.01701 0.00268 0.01210 0.01110 139 5PX 0.01959 0.01304 -0.04451 0.02700 0.00631 140 5PY 0.00450 0.01119 -0.06369 0.01770 0.01739 141 5PZ 0.00383 0.01298 0.00848 -0.03849 -0.02882 142 6PX 0.02596 -0.00889 -0.03030 -0.01745 -0.00760 143 6PY -0.04074 0.01217 0.00228 0.01042 -0.00852 144 6PZ 0.04409 -0.00701 -0.01285 0.03967 0.02818 145 7D 0 -0.20606 0.04934 -0.01571 0.00926 0.00921 146 7D+1 -0.21224 -0.03602 0.01315 0.01642 0.03868 147 7D-1 0.21092 -0.00941 0.01376 0.03657 0.00976 148 7D+2 -0.16804 0.07238 0.00383 0.00829 -0.01176 149 7D-2 -0.10300 -0.04204 0.00396 -0.01533 -0.01351 150 8D 0 -0.06953 0.01564 -0.00358 -0.00081 0.00076 151 8D+1 -0.07166 -0.01268 0.00447 0.00108 0.00724 152 8D-1 0.07011 -0.00265 0.00488 0.00537 0.00144 153 8D+2 -0.05373 0.02471 0.00273 0.00294 -0.00500 154 8D-2 -0.03337 -0.01343 0.00078 -0.00455 -0.00336 155 8 Cu 1S -0.01108 0.00126 0.00196 0.00017 0.00199 156 2S -0.04708 0.06458 -0.00974 -0.02027 0.07825 157 3S -0.15401 0.05967 -0.06018 -0.00983 0.14805 158 4PX -0.02534 -0.01655 0.00377 -0.00340 -0.00620 159 4PY 0.08919 -0.01064 -0.01094 -0.00672 0.01602 160 4PZ 0.00333 0.00566 -0.01380 0.00465 -0.01268 161 5PX -0.00631 0.00399 -0.01100 0.01395 0.02231 162 5PY 0.00138 -0.02779 0.03271 0.01380 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-0.01915 0.01270 0.00260 -0.01963 183 5PX -0.00288 -0.00136 0.00279 0.00114 -0.00197 184 5PY -0.01111 -0.00855 -0.01335 -0.00131 0.00767 185 5PZ 0.01661 0.01012 -0.00181 -0.00366 0.01178 186 10 O 1S 0.05425 0.00081 0.00027 0.00016 0.00000 187 2S -0.10022 0.00163 -0.00058 -0.00064 0.00038 188 3S -0.13854 -0.00792 -0.00062 0.00084 -0.00511 189 4PX -0.06405 -0.02809 -0.00058 -0.00487 -0.00378 190 4PY 0.18425 0.03822 0.00122 -0.00230 -0.00596 191 4PZ 0.11693 0.01021 -0.00930 -0.00191 0.01659 192 5PX -0.01695 -0.00938 -0.00096 -0.00289 -0.00136 193 5PY 0.04668 0.01042 0.00445 -0.00083 -0.00557 194 5PZ 0.02764 -0.00368 -0.00501 0.00045 0.00433 16 17 18 19 20 16 7D+2 1.47895 17 7D-2 -0.01184 1.48940 18 8D 0 -0.00072 0.00095 0.15639 19 8D+1 -0.00137 0.00208 -0.00050 0.15486 20 8D-1 0.00256 0.00333 0.00007 -0.00016 0.15580 21 8D+2 0.48276 -0.00258 0.00007 0.00019 0.00000 22 8D-2 -0.00249 0.48576 0.00055 0.00088 0.00076 23 2 Cu 1S -0.00113 0.00017 0.00005 -0.00001 -0.00051 24 2S -0.08069 -0.03724 -0.00576 -0.00516 0.00885 25 3S -0.26682 -0.12999 -0.03340 -0.01833 0.05983 26 4PX -0.00962 0.00574 -0.00013 0.00021 0.00075 27 4PY 0.02099 0.01430 0.00071 0.00169 -0.00482 28 4PZ 0.01365 0.00508 0.00092 -0.00052 0.00485 29 5PX 0.03554 0.02838 0.00902 0.01436 -0.00414 30 5PY -0.17583 -0.09196 -0.02806 -0.00895 0.04482 31 5PZ -0.07489 -0.02342 -0.00011 -0.00176 -0.00284 32 6PX -0.00591 0.03353 -0.00398 -0.01428 -0.00257 33 6PY -0.01099 0.00116 -0.01016 -0.00020 0.00309 34 6PZ -0.01152 0.00824 0.01293 -0.00638 -0.00553 35 7D 0 0.01246 0.01042 -0.00113 -0.00159 0.00301 36 7D+1 -0.01394 0.02317 -0.00216 -0.00548 -0.00028 37 7D-1 0.00549 0.01167 0.00789 -0.00204 0.00204 38 7D+2 0.00384 -0.02032 0.00336 -0.00398 0.00327 39 7D-2 -0.01891 0.02780 0.00217 0.00589 0.00360 40 8D 0 0.00339 0.00326 -0.00140 0.00011 -0.00137 41 8D+1 -0.00274 0.00408 -0.00051 -0.00208 0.00054 42 8D-1 0.00102 0.00261 0.00219 -0.00040 -0.00098 43 8D+2 -0.00006 -0.00366 0.00040 -0.00079 0.00035 44 8D-2 -0.00358 0.00357 0.00034 0.00157 0.00070 45 3 Cu 1S -0.00008 0.00300 -0.00120 0.00012 -0.00032 46 2S 0.00979 0.03068 -0.00519 -0.01457 0.00362 47 3S 0.09050 0.01770 0.01187 -0.09080 0.00201 48 4PX 0.00167 -0.00428 0.00466 -0.00293 0.00007 49 4PY -0.00499 -0.01210 -0.00033 -0.00028 0.00532 50 4PZ -0.01348 -0.00147 0.00077 0.00402 -0.00069 51 5PX -0.03410 0.02131 -0.00812 0.03183 -0.00036 52 5PY 0.00027 0.01733 -0.00622 -0.00030 0.00469 53 5PZ 0.04619 0.01805 0.01476 -0.02958 0.00079 54 6PX -0.02458 0.00019 0.00201 0.00372 0.00246 55 6PY 0.02063 0.00623 -0.00650 -0.00036 0.00400 56 6PZ -0.01853 -0.00048 0.00162 -0.00844 0.00284 57 7D 0 -0.03654 0.00250 0.00407 0.00144 0.00147 58 7D+1 -0.00149 -0.00274 0.00266 -0.00814 -0.00073 59 7D-1 -0.00821 -0.03610 -0.00408 0.00011 0.00339 60 7D+2 -0.00884 0.00348 -0.00782 -0.00163 0.00113 61 7D-2 0.00893 0.01913 0.00091 0.00184 -0.01349 62 8D 0 -0.00873 0.00181 -0.00017 -0.00012 0.00084 63 8D+1 -0.00135 -0.00107 -0.00008 -0.00099 -0.00061 64 8D-1 -0.00405 -0.00727 -0.00255 0.00018 0.00014 65 8D+2 -0.00429 -0.00091 -0.00133 -0.00143 0.00083 66 8D-2 0.00450 0.00369 0.00027 0.00060 -0.00407 67 4 Cu 1S 0.00146 -0.00279 -0.00108 0.00075 -0.00056 68 2S 0.01509 -0.02894 0.00356 0.01428 0.00486 69 3S 0.01650 -0.01034 0.05999 0.06740 0.03225 70 4PX 0.00826 -0.00072 -0.00367 0.00306 -0.00186 71 4PY -0.00610 0.00056 -0.00273 -0.00186 0.00547 72 4PZ -0.00331 -0.00517 -0.00360 -0.00357 -0.00263 73 5PX -0.02042 0.02314 0.01291 0.01074 0.00752 74 5PY 0.00581 -0.00621 0.00156 0.00930 0.00774 75 5PZ 0.01934 0.00849 0.03634 0.02330 0.01246 76 6PX 0.00477 0.01527 0.00263 0.00257 -0.00470 77 6PY 0.02447 0.00107 -0.00393 0.00466 0.00449 78 6PZ -0.00734 -0.01139 0.00468 0.00588 0.00370 79 7D 0 -0.00626 -0.01717 -0.00211 -0.00619 -0.00250 80 7D+1 0.02430 0.00965 -0.00554 0.00231 -0.00361 81 7D-1 -0.02023 0.01290 -0.00731 -0.00211 0.00813 82 7D+2 -0.00773 -0.00236 -0.00210 0.00587 -0.00590 83 7D-2 -0.00767 -0.01742 -0.00259 0.00018 0.00890 84 8D 0 -0.00062 -0.00533 -0.00020 -0.00057 0.00046 85 8D+1 0.00568 0.00385 0.00049 0.00006 -0.00034 86 8D-1 -0.00598 0.00038 -0.00239 0.00023 0.00165 87 8D+2 -0.00399 0.00026 -0.00042 0.00170 -0.00145 88 8D-2 -0.00395 -0.00656 0.00000 -0.00046 0.00315 89 5 Cu 1S 0.00105 0.00328 0.00002 0.00177 -0.00095 90 2S 0.04009 -0.00647 -0.00101 0.01981 -0.00830 91 3S 0.11829 -0.07646 -0.03416 0.04194 -0.02124 92 4PX 0.01417 -0.02545 -0.00059 0.00149 -0.00174 93 4PY -0.02301 -0.00571 0.00049 -0.00151 -0.00031 94 4PZ 0.00206 -0.00393 -0.00367 -0.00496 0.00263 95 5PX -0.06118 0.07798 0.01657 -0.01165 0.01052 96 5PY 0.04895 0.01278 -0.01258 0.01027 0.00619 97 5PZ -0.01712 0.01369 0.01671 0.00822 -0.00373 98 6PX -0.00333 -0.01164 0.00757 -0.00675 -0.00137 99 6PY -0.02282 -0.01434 0.00155 -0.00983 -0.00863 100 6PZ 0.00426 0.00675 -0.00735 -0.01416 0.00309 101 7D 0 0.00377 -0.00832 -0.00115 0.00729 -0.00587 102 7D+1 -0.00041 0.02125 0.00447 0.00504 -0.00458 103 7D-1 0.01846 0.01282 -0.00106 -0.00410 -0.00256 104 7D+2 0.01049 0.04675 0.00290 -0.00110 0.00189 105 7D-2 0.05365 0.01308 -0.00036 0.00439 -0.00077 106 8D 0 0.00236 -0.00476 -0.00006 0.00213 -0.00176 107 8D+1 0.00375 0.00513 -0.00020 -0.00035 -0.00074 108 8D-1 0.00577 0.00406 0.00067 -0.00032 -0.00044 109 8D+2 0.00068 0.00925 0.00165 -0.00014 -0.00060 110 8D-2 0.01516 0.00004 -0.00012 0.00084 -0.00147 111 6 Cu 1S 0.00015 0.00017 -0.00099 0.00032 -0.00023 112 2S -0.01899 0.00885 -0.00744 0.00523 -0.01941 113 3S -0.14588 -0.00706 -0.01841 0.00953 -0.07747 114 4PX 0.00201 -0.01603 -0.00015 0.00353 0.00017 115 4PY -0.00412 -0.00015 0.00354 0.00052 -0.00400 116 4PZ 0.01577 -0.00025 0.00323 -0.00001 0.00099 117 5PX -0.01246 0.04676 -0.00159 -0.00352 -0.00096 118 5PY 0.03289 0.00224 -0.00433 -0.00410 0.03716 119 5PZ -0.04916 0.00506 0.00297 -0.00091 -0.02188 120 6PX -0.02044 -0.03255 0.00406 0.00438 0.00399 121 6PY 0.06755 0.02279 0.00263 0.00529 -0.00583 122 6PZ 0.04610 0.01678 -0.00535 0.00592 -0.01016 123 7D 0 0.03765 0.00554 0.00722 -0.00044 -0.00435 124 7D+1 -0.00179 -0.03565 -0.00252 -0.00190 0.00282 125 7D-1 -0.00764 0.00433 0.00177 -0.00052 -0.01177 126 7D+2 -0.00842 -0.00587 0.00666 0.00167 -0.00213 127 7D-2 -0.00474 0.02622 -0.00087 -0.00859 0.00082 128 8D 0 0.00878 0.00282 0.00079 -0.00038 -0.00119 129 8D+1 -0.00107 -0.00496 -0.00121 -0.00202 0.00109 130 8D-1 -0.00263 0.00126 0.00075 -0.00048 -0.00301 131 8D+2 -0.00194 -0.00117 0.00062 0.00072 0.00033 132 8D-2 0.00010 0.00348 -0.00052 -0.00140 0.00041 133 7 Cu 1S 0.00374 -0.00057 -0.00082 -0.00059 -0.00133 134 2S 0.03651 0.04798 -0.00964 -0.00750 -0.01079 135 3S 0.06353 0.16915 -0.05181 0.00299 -0.01051 136 4PX 0.01338 -0.02225 0.00120 -0.00029 -0.00091 137 4PY -0.01761 -0.02001 0.00094 -0.00117 0.00056 138 4PZ -0.00100 -0.01085 -0.00008 0.00484 0.00470 139 5PX -0.02205 0.09211 -0.01458 0.00884 0.00203 140 5PY 0.04863 0.05626 -0.02113 0.00573 0.00580 141 5PZ 0.00224 0.02623 0.00334 -0.01209 -0.00925 142 6PX 0.02303 0.00255 -0.01024 -0.00614 -0.00278 143 6PY -0.02121 -0.00575 0.00066 0.00369 -0.00349 144 6PZ 0.00703 -0.00888 -0.00403 0.01344 0.00948 145 7D 0 -0.00810 0.01281 -0.00464 -0.00134 -0.00087 146 7D+1 0.00070 -0.01431 0.00114 0.00216 0.00865 147 7D-1 -0.00479 -0.01311 0.00291 0.00656 0.00203 148 7D+2 0.06461 -0.00514 0.00201 0.00130 -0.00362 149 7D-2 -0.01304 -0.03596 0.00218 -0.00320 -0.00104 150 8D 0 -0.00388 0.00506 -0.00101 -0.00173 -0.00106 151 8D+1 -0.00232 -0.00562 0.00038 -0.00067 0.00101 152 8D-1 0.00021 -0.00486 0.00111 -0.00004 0.00011 153 8D+2 0.01343 0.00351 0.00115 0.00049 -0.00154 154 8D-2 -0.00439 -0.01052 0.00056 -0.00087 0.00006 155 8 Cu 1S 0.00580 0.00214 0.00037 -0.00006 0.00077 156 2S -0.02674 -0.03161 -0.00386 -0.00698 0.02599 157 3S 0.01041 -0.04886 -0.01981 -0.00387 0.05012 158 4PX 0.01619 -0.01167 0.00028 -0.00134 -0.00110 159 4PY -0.01913 -0.01901 0.00041 -0.00113 0.00249 160 4PZ -0.00922 -0.00593 -0.00405 0.00166 -0.00455 161 5PX -0.03956 0.04362 -0.00371 0.00419 0.00747 162 5PY 0.02281 0.04571 0.01082 0.00463 -0.01626 163 5PZ 0.00989 0.01594 0.01610 -0.00574 0.00727 164 6PX 0.01238 -0.02671 -0.00268 -0.01077 -0.00117 165 6PY -0.03057 -0.01551 0.00826 -0.00593 -0.00332 166 6PZ 0.04024 0.01871 -0.01040 0.00629 -0.01685 167 7D 0 0.00381 0.00200 0.00075 -0.00321 0.00922 168 7D+1 -0.01797 0.01608 -0.00289 -0.00083 -0.00261 169 7D-1 0.01560 0.01674 0.00454 -0.00140 0.00509 170 7D+2 -0.00439 -0.03793 -0.00153 -0.00384 0.00618 171 7D-2 -0.03684 0.02809 -0.00026 0.00224 0.00482 172 8D 0 -0.00390 -0.00264 0.00014 -0.00087 0.00276 173 8D+1 -0.00419 0.00367 -0.00038 0.00071 -0.00024 174 8D-1 0.00534 0.00390 -0.00032 0.00063 0.00001 175 8D+2 -0.00700 -0.00986 -0.00175 -0.00075 0.00234 176 8D-2 -0.00946 0.00170 -0.00081 -0.00028 0.00120 177 9 C 1S -0.00627 -0.00288 -0.00139 -0.00099 0.00307 178 2S 0.02228 0.01035 0.00391 0.00261 -0.00765 179 3S -0.03275 -0.01798 -0.00519 -0.00109 0.00634 180 4PX -0.00699 0.00016 0.00003 0.00226 0.00225 181 4PY 0.02046 0.00829 0.00047 0.00173 -0.00033 182 4PZ 0.00513 0.00782 0.00475 0.00067 -0.00608 183 5PX 0.00374 0.00867 0.00086 0.00045 -0.00030 184 5PY -0.02100 -0.00857 -0.00429 -0.00009 0.00121 185 5PZ -0.01184 -0.00570 -0.00014 -0.00126 0.00383 186 10 O 1S 0.00119 0.00051 -0.00040 -0.00017 0.00091 187 2S -0.00356 -0.00160 0.00079 0.00021 -0.00158 188 3S -0.00111 0.00018 0.00029 0.00035 -0.00208 189 4PX 0.00331 0.00033 -0.00036 -0.00190 -0.00065 190 4PY -0.00984 -0.00284 0.00123 -0.00005 -0.00434 191 4PZ -0.00042 -0.00488 -0.00311 -0.00022 0.00422 192 5PX 0.00106 -0.00345 -0.00032 -0.00109 -0.00048 193 5PY 0.00114 0.00083 0.00160 -0.00027 -0.00183 194 5PZ 0.00328 -0.00093 -0.00195 0.00028 0.00111 21 22 23 24 25 21 8D+2 0.15786 22 8D-2 -0.00039 0.15869 23 2 Cu 1S -0.00051 -0.00007 1.99591 24 2S -0.02580 -0.01203 -0.00189 0.28169 25 3S -0.09064 -0.04482 0.03843 0.04014 0.75575 26 4PX -0.00287 0.00330 0.00046 0.00203 0.00204 27 4PY 0.00404 0.00337 -0.00281 -0.00995 0.02103 28 4PZ 0.00300 0.00087 0.00056 0.00055 -0.02910 29 5PX 0.01171 0.01032 -0.00629 -0.01642 -0.07469 30 5PY -0.05945 -0.03110 0.02802 0.07230 0.34698 31 5PZ -0.02571 -0.00803 0.00685 0.01695 0.04167 32 6PX -0.00165 0.01102 0.00097 -0.00244 -0.01229 33 6PY -0.00382 0.00013 0.00087 -0.02332 0.07947 34 6PZ -0.00353 0.00277 -0.00544 0.00083 0.01573 35 7D 0 0.00155 0.00221 -0.00085 0.04016 0.10819 36 7D+1 -0.00280 0.00483 -0.00008 0.00909 -0.02053 37 7D-1 0.00224 0.00276 0.00048 -0.06357 -0.09653 38 7D+2 -0.00184 -0.00493 -0.00114 0.05285 -0.01827 39 7D-2 -0.00511 0.00496 -0.00055 0.03130 0.01178 40 8D 0 0.00021 0.00066 0.00042 0.00844 0.03208 41 8D+1 -0.00036 0.00043 0.00047 0.00394 -0.00399 42 8D-1 0.00064 0.00058 -0.00186 -0.01984 -0.03664 43 8D+2 -0.00120 -0.00069 0.00126 0.01531 -0.00303 44 8D-2 -0.00088 -0.00030 0.00081 0.00938 0.00598 45 3 Cu 1S -0.00004 0.00103 -0.00231 -0.00732 -0.00688 46 2S 0.00302 0.01038 -0.00475 0.07349 -0.01573 47 3S 0.03132 0.00615 -0.00731 -0.01360 -0.12790 48 4PX -0.00100 -0.00086 0.00040 0.00615 0.03004 49 4PY -0.00138 -0.00526 0.00122 0.02072 0.01676 50 4PZ -0.00353 -0.00104 -0.00127 -0.01574 -0.02701 51 5PX -0.01156 0.00728 0.00229 -0.00105 0.01440 52 5PY 0.00014 0.00537 0.00459 -0.03346 0.04119 53 5PZ 0.01484 0.00632 -0.00241 0.02169 -0.02208 54 6PX -0.00810 0.00015 0.00089 0.00172 0.04140 55 6PY 0.00673 0.00181 0.00199 -0.00915 -0.01635 56 6PZ -0.00646 0.00022 0.00123 0.00380 0.02849 57 7D 0 -0.00756 0.00051 -0.00192 -0.03170 -0.16330 58 7D+1 -0.00108 0.00021 0.00112 -0.01623 -0.10974 59 7D-1 -0.00323 -0.00798 0.00058 -0.01799 -0.10608 60 7D+2 -0.00443 -0.00047 -0.00115 -0.04130 -0.25898 61 7D-2 0.00452 0.00425 -0.00084 0.02318 0.19839 62 8D 0 -0.00139 0.00049 -0.00064 -0.01087 -0.05432 63 8D+1 -0.00066 0.00003 0.00061 -0.00515 -0.03692 64 8D-1 -0.00151 -0.00108 0.00044 -0.00519 -0.03337 65 8D+2 -0.00193 -0.00082 -0.00037 -0.01306 -0.08677 66 8D-2 0.00202 0.00056 -0.00046 0.00616 0.06615 67 4 Cu 1S 0.00047 -0.00088 -0.00228 -0.00724 -0.00673 68 2S 0.00512 -0.01034 -0.00465 0.07477 -0.00973 69 3S 0.00572 -0.00317 -0.00754 -0.00733 -0.13337 70 4PX 0.00321 0.00025 -0.00030 -0.00696 -0.02296 71 4PY -0.00256 0.00099 0.00108 0.01845 0.00685 72 4PZ -0.00133 -0.00056 -0.00141 -0.01818 -0.03579 73 5PX -0.00681 0.00801 -0.00277 0.00510 -0.02170 74 5PY 0.00178 -0.00196 0.00365 -0.03200 0.03326 75 5PZ 0.00630 0.00222 -0.00330 0.02386 -0.02743 76 6PX 0.00164 0.00538 -0.00106 -0.00285 -0.02934 77 6PY 0.00764 0.00066 0.00165 -0.00649 -0.02899 78 6PZ -0.00251 -0.00432 0.00023 0.00252 0.00174 79 7D 0 -0.00151 -0.00392 -0.00233 -0.01814 -0.07771 80 7D+1 0.00570 0.00321 -0.00034 0.02708 0.16337 81 7D-1 -0.00648 0.00118 0.00043 -0.02159 -0.14888 82 7D+2 -0.00320 0.00002 -0.00113 -0.02539 -0.12047 83 7D-2 -0.00416 -0.00644 -0.00015 -0.04090 -0.29717 84 8D 0 -0.00002 -0.00118 -0.00094 -0.00638 -0.02578 85 8D+1 0.00110 0.00128 -0.00038 0.00874 0.05409 86 8D-1 -0.00189 -0.00092 0.00034 -0.00589 -0.04790 87 8D+2 -0.00152 0.00033 -0.00039 -0.00872 -0.04019 88 8D-2 -0.00186 -0.00239 0.00005 -0.01226 -0.09986 89 5 Cu 1S 0.00112 0.00060 -0.00268 -0.00657 -0.00569 90 2S 0.01289 -0.00189 -0.00356 0.13737 -0.01042 91 3S 0.04124 -0.02728 -0.00490 0.06814 -0.10013 92 4PX -0.00074 -0.00343 0.00085 0.01598 0.04969 93 4PY -0.00503 -0.00442 -0.00052 0.00462 0.01771 94 4PZ 0.00081 -0.00144 0.00068 0.01166 0.01801 95 5PX -0.02054 0.02601 0.00274 -0.02561 0.01693 96 5PY 0.01569 0.00386 0.00215 -0.01382 0.02141 97 5PZ -0.00595 0.00472 0.00121 -0.01250 0.02708 98 6PX -0.00124 -0.00420 0.00061 -0.00490 0.01071 99 6PY -0.00799 -0.00521 -0.00049 0.00887 -0.00366 100 6PZ 0.00202 0.00220 0.00139 -0.01211 0.02540 101 7D 0 0.00065 -0.00220 0.00012 -0.01314 -0.09830 102 7D+1 0.00256 0.00618 -0.00090 0.03463 0.22397 103 7D-1 0.00559 0.00334 0.00103 0.04028 0.20838 104 7D+2 0.00181 0.00890 -0.00201 -0.00476 -0.02815 105 7D-2 0.01255 0.00380 0.00179 0.04590 0.17141 106 8D 0 0.00057 -0.00138 0.00006 -0.00415 -0.03269 107 8D+1 0.00215 0.00140 0.00001 0.01243 0.07564 108 8D-1 0.00171 0.00104 0.00080 0.01327 0.07058 109 8D+2 -0.00027 0.00089 -0.00089 -0.00104 -0.00951 110 8D-2 0.00329 -0.00010 0.00093 0.01472 0.05728 111 6 Cu 1S -0.00028 0.00002 0.00118 0.00035 0.00062 112 2S -0.00810 0.00208 -0.00087 -0.07425 -0.01558 113 3S -0.05045 -0.00238 -0.00071 0.02422 0.04687 114 4PX 0.00054 -0.00579 0.00027 -0.00154 0.00146 115 4PY 0.00153 0.00025 -0.00253 0.00205 -0.02025 116 4PZ 0.00338 -0.00006 0.00054 0.00439 0.02202 117 5PX -0.00431 0.01566 -0.00010 0.00358 -0.00540 118 5PY 0.01128 0.00087 0.00070 -0.01427 0.02507 119 5PZ -0.01668 0.00160 0.00002 -0.00135 0.00435 120 6PX -0.00675 -0.01128 0.00128 0.01864 0.05526 121 6PY 0.02235 0.00786 -0.00442 -0.05873 -0.16720 122 6PZ 0.01557 0.00600 -0.00150 -0.02376 -0.09660 123 7D 0 0.00826 0.00315 0.00070 0.01623 0.04835 124 7D+1 -0.00130 -0.00525 -0.00005 -0.00834 0.00766 125 7D-1 -0.00078 0.00245 0.00161 0.01629 0.02314 126 7D+2 -0.00135 -0.00135 0.00210 0.00820 0.14802 127 7D-2 -0.00089 0.00468 0.00053 -0.00076 0.04838 128 8D 0 0.00150 0.00137 0.00007 0.00591 0.01747 129 8D+1 -0.00059 0.00055 0.00004 -0.00225 0.00321 130 8D-1 -0.00027 0.00077 0.00046 0.00572 0.00755 131 8D+2 -0.00010 -0.00018 0.00057 0.00590 0.05414 132 8D-2 0.00028 -0.00015 0.00015 0.00095 0.01799 133 7 Cu 1S 0.00139 0.00069 -0.00264 -0.00633 -0.00568 134 2S 0.01202 0.01497 -0.00346 0.13901 0.00057 135 3S 0.02102 0.05867 -0.00604 0.07951 -0.11171 136 4PX 0.00506 -0.00216 -0.00083 -0.01957 -0.05624 137 4PY -0.00559 -0.00115 -0.00065 -0.00116 -0.00476 138 4PZ -0.00023 -0.00127 0.00045 0.00552 -0.00246 139 5PX -0.00693 0.03083 -0.00360 0.03292 -0.03161 140 5PY 0.01555 0.01860 0.00089 -0.00250 0.01213 141 5PZ 0.00050 0.00830 0.00001 -0.00215 0.01675 142 6PX 0.00827 0.00063 -0.00078 0.00165 -0.01754 143 6PY -0.00781 -0.00176 -0.00095 0.01721 -0.01352 144 6PZ 0.00264 -0.00283 0.00068 -0.00464 0.01487 145 7D 0 -0.00330 0.00394 0.00036 -0.03357 -0.22278 146 7D+1 -0.00190 -0.00364 0.00010 -0.02218 -0.14707 147 7D-1 -0.00059 -0.00201 0.00028 0.01209 0.07752 148 7D+2 0.01459 0.00027 -0.00042 0.03972 0.17678 149 7D-2 -0.00507 -0.00836 -0.00280 -0.04182 -0.16732 150 8D 0 -0.00148 0.00156 -0.00009 -0.01150 -0.07502 151 8D+1 -0.00147 -0.00150 -0.00034 -0.00803 -0.05023 152 8D-1 0.00036 -0.00086 0.00027 0.00390 0.02638 153 8D+2 0.00225 0.00180 0.00009 0.01357 0.05960 154 8D-2 -0.00170 -0.00227 -0.00139 -0.01272 -0.05578 155 8 Cu 1S 0.00100 0.00028 -0.00139 -0.00077 0.00513 156 2S -0.01115 -0.01144 -0.00230 -0.06721 0.03042 157 3S 0.00083 -0.01748 -0.00496 0.05386 -0.03004 158 4PX 0.00283 -0.00455 -0.00025 -0.00006 -0.00442 159 4PY 0.00113 -0.00177 0.00099 0.00575 0.01992 160 4PZ -0.00204 -0.00120 -0.00009 -0.00550 0.01168 161 5PX -0.01301 0.01403 -0.00068 0.00473 0.00323 162 5PY 0.00803 0.01538 0.00215 -0.03400 -0.01510 163 5PZ 0.00337 0.00544 0.00025 0.00921 -0.00110 164 6PX 0.00469 -0.00962 0.00059 0.00500 0.01109 165 6PY -0.01032 -0.00554 0.00170 0.00729 0.05784 166 6PZ 0.01309 0.00643 -0.00317 -0.04467 -0.11105 167 7D 0 0.00015 -0.00042 0.00123 0.02704 -0.06570 168 7D+1 -0.00325 0.00261 -0.00017 -0.00355 0.01278 169 7D-1 0.00302 0.00321 0.00008 -0.01054 -0.04479 170 7D+2 -0.00170 -0.00801 0.00114 0.01895 -0.08653 171 7D-2 -0.00686 0.00389 0.00070 0.01154 -0.03212 172 8D 0 -0.00166 -0.00125 0.00060 0.00849 -0.02041 173 8D+1 -0.00045 0.00028 -0.00005 -0.00030 0.00452 174 8D-1 0.00103 0.00050 0.00008 -0.00429 -0.01450 175 8D+2 -0.00236 -0.00175 0.00065 0.00774 -0.02583 176 8D-2 -0.00136 -0.00120 0.00042 0.00500 -0.00924 177 9 C 1S -0.00415 -0.00221 0.00839 -0.04491 0.13121 178 2S 0.01174 0.00611 -0.01502 0.09958 -0.28294 179 3S -0.00881 -0.00431 -0.00144 0.12275 -0.23873 180 4PX -0.00260 0.00096 0.00205 -0.03268 0.04826 181 4PY 0.00613 0.00285 -0.00825 0.12075 -0.18717 182 4PZ 0.00138 0.00259 -0.00326 0.05725 -0.08586 183 5PX 0.00093 0.00313 -0.00341 -0.00398 -0.00360 184 5PY -0.00654 -0.00233 0.01191 0.00881 -0.00115 185 5PZ -0.00363 -0.00169 0.00703 0.01313 0.01893 186 10 O 1S -0.00061 -0.00041 -0.00264 0.00342 0.01310 187 2S 0.00081 0.00060 0.00594 -0.00991 -0.01453 188 3S 0.00032 0.00047 0.01552 0.00434 0.01087 189 4PX 0.00055 -0.00058 -0.00008 0.01418 -0.00297 190 4PY -0.00027 0.00049 0.00005 -0.05086 0.01482 191 4PZ 0.00073 -0.00110 0.00023 -0.02473 0.01995 192 5PX 0.00044 -0.00152 0.00052 0.00252 -0.00006 193 5PY 0.00084 0.00034 -0.00174 -0.00510 0.00612 194 5PZ 0.00105 -0.00032 -0.00125 -0.00727 0.00337 26 27 28 29 30 26 4PX 2.00094 27 4PY -0.00319 2.01109 28 4PZ -0.00080 0.00643 1.99857 29 5PX 0.01952 0.00503 0.00426 0.16300 30 5PY 0.00792 0.00618 -0.02553 -0.01930 0.23150 31 5PZ 0.00188 -0.01144 0.02201 0.00842 0.02858 32 6PX -0.02061 -0.00228 0.00119 -0.02831 -0.01533 33 6PY -0.00234 -0.00363 -0.00258 -0.01405 0.03925 34 6PZ -0.00127 0.00348 -0.01563 -0.00852 0.00540 35 7D 0 -0.00094 0.00302 0.00602 -0.00902 0.00384 36 7D+1 0.00097 0.00572 0.00039 -0.02101 -0.01485 37 7D-1 0.00514 -0.01624 0.00197 -0.01426 0.02651 38 7D+2 -0.00917 0.01442 0.01081 0.05175 -0.00262 39 7D-2 0.00748 0.01070 0.00575 -0.08776 -0.02701 40 8D 0 -0.00059 0.00134 0.00137 -0.00255 -0.00204 41 8D+1 -0.00058 0.00130 0.00000 -0.00837 -0.00412 42 8D-1 0.00127 -0.00490 0.00043 -0.00496 0.00734 43 8D+2 -0.00221 0.00397 0.00291 0.01778 -0.00255 44 8D-2 0.00165 0.00289 0.00148 -0.02925 -0.00936 45 3 Cu 1S -0.00169 -0.00253 0.00122 -0.00247 -0.00345 46 2S -0.02551 -0.03730 0.01507 0.07581 0.03833 47 3S -0.01640 -0.01211 0.02776 -0.02092 -0.06389 48 4PX 0.00249 -0.00174 0.00194 -0.00485 0.01324 49 4PY 0.00076 -0.00056 -0.00226 0.00503 0.00003 50 4PZ 0.00181 0.00263 0.00358 -0.01066 -0.01954 51 5PX -0.00468 0.00425 -0.00672 0.01854 0.00828 52 5PY 0.00636 0.00907 -0.00414 0.00125 0.01466 53 5PZ -0.00457 -0.00629 -0.00736 0.00562 -0.00483 54 6PX 0.00210 -0.00163 0.00514 0.01161 0.01678 55 6PY -0.00784 0.00012 -0.00210 0.00041 -0.00593 56 6PZ 0.00403 -0.00254 0.00922 -0.01618 0.01099 57 7D 0 0.00618 0.00784 -0.00510 -0.05259 -0.08113 58 7D+1 0.00256 0.00928 -0.00242 -0.01570 -0.02262 59 7D-1 0.01080 0.01202 0.00102 -0.02558 -0.12077 60 7D+2 0.01001 0.01178 -0.00829 -0.05176 -0.10364 61 7D-2 -0.00288 -0.01723 0.01483 0.01278 0.13135 62 8D 0 0.00203 0.00238 -0.00215 -0.01799 -0.02680 63 8D+1 0.00032 0.00264 -0.00029 -0.00589 -0.00774 64 8D-1 0.00315 0.00277 0.00200 -0.00935 -0.04017 65 8D+2 0.00339 0.00273 -0.00264 -0.01571 -0.03361 66 8D-2 0.00081 -0.00397 0.00423 0.00460 0.04264 67 4 Cu 1S 0.00193 -0.00191 0.00187 0.00263 -0.00209 68 2S 0.03062 -0.02738 0.02527 -0.06342 0.01627 69 3S 0.00888 -0.00941 0.03072 0.04607 -0.04930 70 4PX 0.00305 0.00188 -0.00101 -0.00805 -0.00733 71 4PY 0.00138 0.00014 -0.00266 -0.00520 -0.00453 72 4PZ -0.00267 0.00245 0.00219 0.01666 -0.01771 73 5PX -0.00453 -0.00599 0.00810 0.02452 -0.00429 74 5PY -0.00930 0.00432 -0.00447 0.00578 0.01245 75 5PZ 0.00644 -0.00641 -0.00273 -0.00015 -0.00697 76 6PX 0.00148 0.00404 -0.00462 0.01007 -0.01261 77 6PY 0.00814 0.00293 -0.00106 0.01231 -0.00674 78 6PZ -0.00512 -0.00312 0.00436 0.01199 0.00517 79 7D 0 -0.00193 -0.00044 -0.00415 0.05014 -0.02658 80 7D+1 0.00877 -0.01154 0.00726 -0.06062 0.07373 81 7D-1 -0.01291 0.00979 -0.00786 0.06970 -0.13355 82 7D+2 -0.00950 -0.00031 -0.00078 0.03810 -0.00910 83 7D-2 -0.00529 0.01586 -0.01863 0.05498 -0.11051 84 8D 0 -0.00075 -0.00014 -0.00232 0.01666 -0.00846 85 8D+1 0.00217 -0.00333 0.00139 -0.02131 0.02422 86 8D-1 -0.00363 0.00186 -0.00081 0.02301 -0.04383 87 8D+2 -0.00391 -0.00052 -0.00053 0.01175 -0.00345 88 8D-2 -0.00019 0.00407 -0.00555 0.01712 -0.03585 89 5 Cu 1S -0.00301 -0.00198 -0.00171 -0.00093 -0.00176 90 2S -0.03537 -0.03416 -0.03002 0.10197 0.05438 91 3S -0.03049 -0.00303 -0.02125 -0.00399 -0.03630 92 4PX 0.00143 -0.00221 -0.00104 -0.00052 0.01332 93 4PY 0.00222 0.00126 0.00123 -0.00637 -0.01235 94 4PZ -0.00097 -0.00185 0.00102 0.01079 0.00715 95 5PX -0.00127 0.00340 0.00573 0.01403 0.00307 96 5PY 0.00394 0.00045 0.00020 0.01511 0.01153 97 5PZ 0.00795 0.00444 -0.00345 -0.00486 0.00160 98 6PX 0.00131 -0.00112 -0.00265 0.01243 0.00978 99 6PY -0.00928 -0.00002 -0.00948 -0.01554 -0.00163 100 6PZ -0.00560 -0.00069 0.00735 -0.00222 0.00187 101 7D 0 -0.00099 -0.00206 0.01289 -0.01292 0.01467 102 7D+1 -0.01486 -0.01452 -0.00762 0.06762 0.11186 103 7D-1 -0.02098 -0.01045 -0.00491 0.13443 0.09616 104 7D+2 0.00394 -0.00767 -0.00037 -0.06077 0.04076 105 7D-2 -0.01658 -0.00752 -0.02034 0.06624 0.09270 106 8D 0 -0.00094 -0.00146 0.00467 -0.00375 0.00530 107 8D+1 -0.00286 -0.00399 -0.00026 0.02445 0.03878 108 8D-1 -0.00600 -0.00247 0.00038 0.04449 0.03254 109 8D+2 0.00276 -0.00283 0.00035 -0.01803 0.01417 110 8D-2 -0.00303 -0.00110 -0.00516 0.02161 0.03052 111 6 Cu 1S -0.00040 0.00173 0.00027 -0.00007 0.00032 112 2S -0.00512 0.00727 0.01819 0.01680 -0.03792 113 3S 0.00126 0.00765 -0.01177 0.00023 0.00362 114 4PX 0.00248 0.00140 -0.00042 -0.00785 -0.00164 115 4PY 0.00077 -0.00306 0.00178 0.00203 -0.01135 116 4PZ 0.00030 -0.00161 0.00292 -0.00306 0.01492 117 5PX -0.00699 -0.00307 0.00074 0.02145 0.00469 118 5PY -0.00163 0.00315 -0.00202 0.00006 0.01243 119 5PZ -0.00063 0.00500 -0.00891 0.00056 -0.01160 120 6PX 0.00328 -0.00469 0.00257 -0.00715 0.03158 121 6PY -0.00156 0.01166 -0.00103 0.02197 -0.08846 122 6PZ 0.00019 0.01042 -0.00825 0.01522 -0.05606 123 7D 0 -0.00003 -0.00405 0.00463 -0.02129 0.08933 124 7D+1 0.00009 0.00212 -0.00097 -0.00556 -0.03578 125 7D-1 -0.00046 -0.00113 -0.00535 -0.00359 0.03335 126 7D+2 0.00317 0.00138 -0.00123 -0.01708 0.03496 127 7D-2 -0.00790 -0.00070 -0.00121 0.03745 0.01188 128 8D 0 0.00017 -0.00183 0.00169 -0.00755 0.03116 129 8D+1 0.00032 0.00077 -0.00028 -0.00229 -0.01179 130 8D-1 0.00000 -0.00059 -0.00208 -0.00152 0.01162 131 8D+2 0.00127 -0.00051 -0.00042 -0.00594 0.01484 132 8D-2 -0.00279 -0.00059 -0.00039 0.01182 0.00495 133 7 Cu 1S 0.00385 -0.00081 -0.00042 0.00140 -0.00072 134 2S 0.05268 -0.01884 -0.01356 -0.13217 0.01739 135 3S 0.03595 0.00504 -0.01276 0.01147 -0.03014 136 4PX 0.00069 0.00256 0.00056 0.00703 -0.00882 137 4PY -0.00259 0.00119 0.00071 0.01399 -0.01155 138 4PZ 0.00138 -0.00059 0.00180 -0.00824 0.00010 139 5PX 0.00551 -0.00349 -0.00268 0.01800 -0.00056 140 5PY -0.00238 -0.00225 -0.00317 -0.01379 0.00534 141 5PZ -0.00617 0.00047 -0.00786 0.00587 0.00191 142 6PX -0.00491 0.00069 0.00227 0.01009 -0.00894 143 6PY 0.01051 0.00239 -0.00686 0.01784 0.00296 144 6PZ 0.00226 -0.00061 0.00779 0.00356 0.00211 145 7D 0 -0.01562 0.00210 0.00996 0.09546 -0.02335 146 7D+1 -0.01585 0.00544 -0.00958 0.09940 -0.05447 147 7D-1 0.00785 -0.00091 0.00573 -0.05921 0.00277 148 7D+2 0.02353 -0.00924 -0.00743 -0.10540 0.11517 149 7D-2 -0.02134 -0.00581 0.00794 0.14889 -0.00014 150 8D 0 -0.00308 0.00018 0.00292 0.03233 -0.00825 151 8D+1 -0.00395 0.00184 -0.00485 0.03472 -0.01906 152 8D-1 0.00243 -0.00005 0.00257 -0.01948 0.00120 153 8D+2 0.00386 -0.00338 -0.00142 -0.03740 0.03848 154 8D-2 -0.00548 -0.00290 0.00198 0.04709 0.00012 155 8 Cu 1S 0.00014 -0.00130 -0.00019 -0.00190 0.00749 156 2S -0.00118 0.01501 -0.00963 -0.00653 -0.00954 157 3S 0.00772 -0.02661 -0.02614 -0.01091 0.04431 158 4PX 0.00096 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0.08900 114 4PX 0.00184 0.02255 0.00369 0.00146 0.00052 115 4PY -0.00848 0.00242 -0.00257 0.00101 -0.00280 116 4PZ -0.00712 0.00331 0.00169 0.01415 -0.00161 117 5PX -0.00481 -0.00412 -0.00011 0.00327 0.00006 118 5PY 0.01272 0.00529 -0.00387 -0.01444 -0.01573 119 5PZ 0.03157 -0.00009 0.00122 -0.00491 0.01479 120 6PX 0.00618 -0.01074 0.00802 0.00656 -0.01139 121 6PY -0.01452 0.00586 -0.02356 -0.01236 0.02224 122 6PZ -0.01473 0.00625 -0.01986 -0.02190 0.03352 123 7D 0 -0.00042 0.00589 -0.00558 -0.02797 -0.01055 124 7D+1 -0.00783 0.00119 0.00175 0.01051 0.00423 125 7D-1 0.01428 -0.01663 0.02002 -0.01924 -0.00775 126 7D+2 -0.00816 0.01702 0.02297 -0.01889 -0.00120 127 7D-2 0.00144 -0.06470 -0.00593 -0.01706 0.00157 128 8D 0 0.00003 0.00218 -0.00171 -0.00975 -0.00430 129 8D+1 -0.00269 0.00092 0.00073 0.00380 0.00171 130 8D-1 0.00469 -0.00514 0.00675 -0.00659 -0.00280 131 8D+2 -0.00277 0.00530 0.00803 -0.00670 -0.00145 132 8D-2 0.00035 -0.02143 -0.00181 -0.00570 0.00018 133 7 Cu 1S 0.00046 -0.00136 -0.00043 -0.00236 0.00038 134 2S 0.02920 0.01644 0.01482 0.00815 -0.02212 135 3S 0.01330 0.00667 0.00283 -0.01821 -0.10410 136 4PX -0.00659 0.00982 -0.00586 0.00264 0.00983 137 4PY -0.00453 -0.01955 0.00605 -0.01832 -0.00275 138 4PZ -0.01076 -0.00853 -0.00090 0.00749 -0.00836 139 5PX 0.00078 -0.00476 -0.00148 -0.00450 -0.03802 140 5PY 0.00356 -0.00016 0.00542 -0.00497 0.01430 141 5PZ 0.01558 -0.00257 0.00069 0.00086 0.04111 142 6PX -0.00515 0.00442 0.00299 0.00339 -0.01946 143 6PY 0.00646 -0.01912 -0.01029 -0.00335 0.01276 144 6PZ 0.00239 -0.00777 0.00186 -0.00565 -0.01503 145 7D 0 -0.02678 0.01998 -0.01099 0.00423 -0.01220 146 7D+1 0.04867 -0.00938 -0.01089 0.01698 -0.02252 147 7D-1 -0.06261 0.03509 0.02560 0.01843 -0.00114 148 7D+2 0.05391 0.03896 0.00309 -0.01093 0.00297 149 7D-2 -0.04531 -0.01012 -0.00544 -0.02922 -0.00029 150 8D 0 -0.00899 0.00682 -0.00390 0.00152 -0.00433 151 8D+1 0.01598 -0.00334 -0.00404 0.00604 -0.00183 152 8D-1 -0.02056 0.01186 0.00856 0.00620 -0.00205 153 8D+2 0.01818 0.01350 0.00151 -0.00312 0.00199 154 8D-2 -0.01485 -0.00327 -0.00163 -0.01001 -0.00136 155 8 Cu 1S 0.00260 -0.00045 -0.00025 -0.00299 -0.00044 156 2S 0.04740 0.00661 -0.00349 -0.04789 0.02281 157 3S 0.05216 -0.01246 -0.00907 -0.03564 0.03364 158 4PX -0.00003 0.05434 0.00919 0.00843 -0.00036 159 4PY -0.00104 0.01128 0.00280 0.01978 0.00130 160 4PZ -0.00081 0.01169 0.00306 0.00302 -0.00095 161 5PX 0.00322 0.00000 0.00074 -0.00076 0.00051 162 5PY -0.01237 0.00607 -0.00398 -0.00098 -0.00529 163 5PZ 0.00786 0.00074 -0.00034 0.00548 0.00559 164 6PX -0.00278 0.00839 0.00222 0.00439 0.00115 165 6PY 0.00730 0.00222 0.00550 0.00176 -0.01301 166 6PZ -0.00880 0.00907 -0.01639 -0.01635 0.02778 167 7D 0 0.00115 -0.00683 0.00183 0.01839 0.00363 168 7D+1 -0.00013 -0.03920 -0.00296 -0.00573 -0.00253 169 7D-1 -0.00298 -0.00982 -0.01616 -0.02160 0.00731 170 7D+2 -0.02578 -0.03795 -0.00401 0.03737 0.00114 171 7D-2 -0.01586 0.02512 0.00374 0.03959 0.00074 172 8D 0 0.00095 -0.00217 0.00068 0.00581 0.00101 173 8D+1 -0.00054 -0.01322 -0.00085 -0.00139 -0.00105 174 8D-1 -0.00068 -0.00326 -0.00552 -0.00813 0.00250 175 8D+2 -0.00891 -0.01266 -0.00088 0.01300 -0.00008 176 8D-2 -0.00588 0.00814 0.00157 0.01372 0.00001 177 9 C 1S 0.00254 -0.00495 0.02800 0.00204 0.00209 178 2S -0.02146 0.00672 -0.04810 0.00648 -0.00278 179 3S -0.01610 0.02022 -0.07306 -0.03508 0.03011 180 4PX 0.01860 0.06672 0.03615 0.02953 -0.00718 181 4PY -0.05549 0.04246 -0.07638 -0.08588 0.02138 182 4PZ 0.01625 0.02520 -0.04658 -0.00109 -0.09092 183 5PX -0.00019 0.00641 0.00254 0.00178 -0.00723 184 5PY -0.00080 0.00358 -0.00496 -0.00289 0.03001 185 5PZ 0.01377 0.00270 -0.00229 -0.00079 -0.04883 186 10 O 1S 0.00271 -0.00793 0.02027 0.02793 0.00216 187 2S -0.00382 0.01453 -0.03571 -0.05287 -0.00557 188 3S -0.01337 0.02233 -0.04914 -0.07931 -0.01818 189 4PX -0.01517 0.17129 0.01266 -0.00179 0.01098 190 4PY 0.04569 -0.00136 0.08715 0.08022 -0.03873 191 4PZ -0.01826 0.01218 0.01583 0.11531 0.07821 192 5PX -0.00523 0.06833 0.00800 0.00375 0.00929 193 5PY 0.01376 0.00452 0.02446 0.01536 -0.03407 194 5PZ -0.01825 0.00687 0.00180 0.04042 0.05544 36 37 38 39 40 36 7D+1 1.51490 37 7D-1 0.01095 1.47464 38 7D+2 0.01140 0.00951 1.48043 39 7D-2 -0.02544 -0.00483 0.01246 1.46440 40 8D 0 0.00006 -0.00201 -0.00088 -0.00026 0.14952 41 8D+1 0.47372 0.00064 0.00108 -0.00068 -0.00005 42 8D-1 0.00086 0.47197 -0.00065 -0.00056 0.00060 43 8D+2 0.00109 -0.00029 0.47514 0.00162 0.00208 44 8D-2 -0.00068 -0.00039 0.00165 0.47242 0.00143 45 3 Cu 1S -0.00191 -0.00124 0.00257 0.00072 0.00026 46 2S -0.03187 -0.01402 -0.01047 0.02314 -0.00567 47 3S -0.14223 -0.11020 -0.05660 0.12639 -0.01233 48 4PX -0.00006 -0.00643 -0.01290 0.00026 0.00040 49 4PY -0.01015 -0.01594 -0.00298 0.01413 0.00055 50 4PZ 0.00027 -0.00156 0.00853 -0.00694 0.00374 51 5PX 0.01140 0.02868 0.03629 -0.03385 0.00269 52 5PY 0.06025 0.05295 0.00922 -0.05292 -0.00075 53 5PZ -0.01430 -0.03000 -0.02990 0.02622 -0.00566 54 6PX 0.02048 0.00155 0.00115 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-0.00512 0.02257 -0.01201 75 5PZ 0.03088 -0.04703 -0.01945 -0.04486 -0.00104 76 6PX 0.01346 0.00179 0.02239 -0.01948 0.00399 77 6PY -0.00280 -0.02150 0.02015 -0.03107 0.00083 78 6PZ 0.02264 -0.00765 -0.01229 0.00126 0.00072 79 7D 0 0.01526 -0.02072 0.01472 0.03120 0.00210 80 7D+1 -0.00683 0.01077 0.03117 0.00716 -0.00121 81 7D-1 0.01301 -0.01205 0.01533 -0.01669 0.00063 82 7D+2 0.02823 0.01170 0.03087 -0.00210 0.00186 83 7D-2 0.00998 -0.02494 0.00048 -0.00425 0.00450 84 8D 0 0.00414 -0.00673 0.00403 0.00769 -0.00066 85 8D+1 -0.00182 0.00209 0.00808 0.00066 -0.00100 86 8D-1 0.00199 -0.00463 0.00377 -0.00348 0.00074 87 8D+2 0.00528 0.00144 0.00618 -0.00106 0.00051 88 8D-2 0.00320 -0.00704 0.00104 -0.00302 -0.00034 89 5 Cu 1S 0.00108 -0.00052 0.00301 -0.00141 0.00039 90 2S 0.04353 0.02796 0.00956 0.01049 -0.00210 91 3S 0.17478 0.07053 0.08607 0.06860 -0.00913 92 4PX 0.01098 0.01568 -0.00761 0.01028 0.00128 93 4PY 0.01649 0.00006 0.01416 0.00579 0.00107 94 4PZ 0.00475 0.00479 0.00621 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185 5PZ -0.00966 0.00278 0.00526 -0.00189 0.00162 186 10 O 1S 0.00039 -0.00011 -0.00045 0.00101 -0.00019 187 2S -0.00072 0.00010 0.00063 -0.00167 0.00037 188 3S -0.00343 0.00246 0.00202 -0.00921 0.00096 189 4PX -0.00265 0.00248 0.00604 -0.00361 0.00003 190 4PY -0.00211 0.00063 0.00213 -0.00570 -0.00053 191 4PZ -0.00173 0.00377 0.00033 0.00009 -0.00003 192 5PX -0.00058 0.00156 0.00250 -0.00052 0.00008 193 5PY -0.00134 0.00079 -0.00069 -0.00209 -0.00033 194 5PZ 0.00176 0.00145 -0.00081 -0.00009 -0.00032 156 157 158 159 160 156 2S 0.38059 157 3S 0.19240 0.39854 158 4PX -0.01386 0.01619 1.99081 159 4PY 0.02993 -0.07663 -0.00014 1.99071 160 4PZ 0.02921 -0.03888 -0.00048 0.00057 1.99212 161 5PX 0.01263 0.02951 0.04105 -0.00155 -0.00008 162 5PY -0.01982 -0.07386 -0.00088 0.04375 0.00484 163 5PZ -0.02674 -0.05805 0.00035 0.00488 0.03671 164 6PX -0.00143 0.00841 -0.00437 -0.00025 0.00036 165 6PY 0.00459 -0.03188 -0.00186 0.00201 0.00810 166 6PZ 0.00437 -0.02715 -0.00131 -0.00401 -0.01174 167 7D 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5PY -0.00059 -0.00259 0.00314 0.00050 0.00342 194 5PZ -0.00041 0.00290 -0.00243 0.00118 -0.00099 166 167 168 169 170 166 6PZ 0.04964 167 7D 0 0.06604 1.48357 168 7D+1 -0.04813 0.00575 1.50625 169 7D-1 0.06275 0.00171 0.00341 1.49827 170 7D+2 -0.05609 -0.01480 0.00412 0.00903 1.50046 171 7D-2 -0.02831 -0.00982 -0.00381 0.00629 -0.00511 172 8D 0 0.02213 0.49770 0.00110 0.00032 -0.00379 173 8D+1 -0.01645 0.00099 0.50286 0.00019 0.00035 174 8D-1 0.02161 0.00094 0.00060 0.50168 0.00266 175 8D+2 -0.01924 -0.00360 0.00029 0.00110 0.49776 176 8D-2 -0.00995 -0.00246 -0.00052 -0.00006 -0.00096 177 9 C 1S -0.01822 0.00311 -0.00021 -0.00148 0.00275 178 2S 0.03876 -0.00473 0.00127 0.00333 -0.00067 179 3S 0.05418 -0.03291 -0.00201 0.00162 -0.05099 180 4PX -0.01276 0.00291 0.00510 0.00180 -0.00458 181 4PY 0.05507 -0.00941 0.00250 0.00220 -0.00814 182 4PZ 0.01970 0.00477 -0.00121 0.00644 0.00151 183 5PX -0.00052 0.00155 0.00123 -0.00018 0.00740 184 5PY 0.00778 -0.01112 -0.00216 0.00393 -0.02165 185 5PZ -0.00377 -0.00002 -0.00238 -0.00275 -0.01079 186 10 O 1S -0.00539 -0.00066 0.00007 0.00030 -0.00050 187 2S 0.00781 0.00185 -0.00009 -0.00125 0.00178 188 3S 0.01494 0.00303 -0.00112 0.00082 -0.00001 189 4PX 0.00945 -0.00220 -0.00484 -0.00197 0.00437 190 4PY -0.03614 0.00682 -0.00227 -0.00099 0.00573 191 4PZ -0.01772 -0.00546 0.00122 -0.00496 -0.00181 192 5PX 0.00215 -0.00124 -0.00226 -0.00120 0.00062 193 5PY -0.01046 0.00563 -0.00111 0.00028 0.00585 194 5PZ -0.00271 -0.00338 0.00095 -0.00016 0.00041 171 172 173 174 175 171 7D-2 1.50497 172 8D 0 -0.00253 0.16710 173 8D+1 -0.00097 0.00005 0.16805 174 8D-1 0.00046 0.00027 -0.00014 0.16817 175 8D+2 -0.00064 -0.00084 -0.00024 0.00022 0.16527 176 8D-2 0.49906 -0.00058 -0.00002 -0.00059 0.00005 177 9 C 1S 0.00171 0.00089 0.00013 -0.00071 0.00111 178 2S 0.00009 -0.00165 -0.00003 0.00168 -0.00119 179 3S -0.03333 -0.01006 -0.00171 0.00163 -0.01785 180 4PX 0.00903 0.00084 0.00174 0.00043 -0.00112 181 4PY -0.00227 -0.00288 0.00050 0.00089 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0.05774 184 5PY -0.00512 -0.04781 0.09082 0.08013 0.01225 185 5PZ -0.00241 -0.01763 0.03238 0.03378 0.00523 186 10 O 1S 0.00026 0.01234 -0.01169 0.04081 -0.01680 187 2S -0.00032 -0.02018 0.01161 -0.09534 0.04148 188 3S -0.00064 0.01752 -0.09317 -0.10395 -0.00682 189 4PX -0.00260 0.02562 -0.06584 -0.00172 0.41183 190 4PY 0.00057 -0.09908 0.25495 0.00545 0.21822 191 4PZ -0.00007 -0.04193 0.10761 0.00098 0.09275 192 5PX -0.00113 0.00377 -0.00968 0.00034 0.15479 193 5PY 0.00112 -0.01398 0.03612 -0.00172 0.05228 194 5PZ 0.00026 -0.00636 0.01625 -0.00221 0.02190 181 182 183 184 185 181 4PY 0.62897 182 4PZ 0.11932 0.40414 183 5PX 0.01297 0.00470 0.01583 184 5PY 0.01349 -0.02053 -0.00321 0.02761 185 5PZ -0.02343 0.05632 -0.00190 0.00511 0.02074 186 10 O 1S 0.06517 0.02810 0.00149 -0.00556 -0.00284 187 2S -0.16096 -0.06934 -0.00040 0.00093 0.00150 188 3S 0.02663 0.01062 0.00472 -0.01979 -0.00602 189 4PX 0.21835 0.09250 0.05781 -0.00247 -0.00136 190 4PY -0.37635 -0.36500 -0.00212 0.06940 -0.00085 191 4PZ -0.36620 0.31754 -0.00148 0.00062 0.06277 192 5PX 0.05201 0.02193 0.01649 0.00182 0.00058 193 5PY -0.03304 -0.08830 0.00183 0.01107 -0.00418 194 5PZ -0.08778 0.13298 0.00074 -0.00456 0.01646 186 187 188 189 190 186 10 O 1S 2.11861 187 2S -0.25925 0.60498 188 3S -0.24790 0.52240 0.54074 189 4PX -0.00910 0.01597 0.07471 0.84471 190 4PY 0.03517 -0.06153 -0.28953 -0.00245 0.85090 191 4PZ 0.01505 -0.02617 -0.12470 0.00017 0.00758 192 5PX -0.00797 0.01916 0.02656 0.32287 0.03597 193 5PY 0.03097 -0.07426 -0.10299 0.03595 0.19115 194 5PZ 0.01312 -0.03152 -0.04437 0.01607 -0.05752 191 192 193 194 191 4PZ 0.83892 192 5PX 0.01628 0.12858 193 5PY -0.05847 0.01945 0.05733 194 5PZ 0.30247 0.00876 -0.03156 0.11771 Full Mulliken population analysis: 1 2 3 4 5 1 1 Cu 1S 2.00437 2 2S -0.00231 0.30157 3 3S 0.01157 -0.13100 1.17144 4 4PX 0.00000 0.00000 0.00000 1.99871 5 4PY 0.00000 0.00000 0.00000 0.00000 2.00334 6 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 7 5PX 0.00000 0.00000 0.00000 0.00299 0.00000 8 5PY 0.00000 0.00000 0.00000 0.00000 0.00242 9 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 6PX 0.00000 0.00000 0.00000 -0.00132 0.00000 11 6PY 0.00000 0.00000 0.00000 0.00000 -0.00011 12 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 14 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 15 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 16 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 17 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 18 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 19 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 2 Cu 1S 0.00000 -0.00030 -0.00052 0.00000 0.00000 24 2S -0.00037 0.02344 -0.09617 -0.00006 -0.00093 25 3S -0.00027 0.00558 -0.20852 -0.00006 -0.00068 26 4PX 0.00000 -0.00006 0.00006 0.00000 0.00000 27 4PY 0.00000 -0.00080 0.00060 0.00000 0.00000 28 4PZ 0.00000 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1.63784 18 8D 0 0.31018 19 8D+1 0.31314 20 8D-1 0.31585 21 8D+2 0.31978 22 8D-2 0.31785 23 2 Cu 1S 1.99772 24 2S 0.61334 25 3S -0.13941 26 4PX 1.99532 27 4PY 1.99604 28 4PZ 1.99555 29 5PX 0.33285 30 5PY 0.27579 31 5PZ 0.22328 32 6PX -0.02121 33 6PY 0.06586 34 6PZ -0.01429 35 7D 0 1.65426 36 7D+1 1.65957 37 7D-1 1.61924 38 7D+2 1.62505 39 7D-2 1.61001 40 8D 0 0.30438 41 8D+1 0.30368 42 8D-1 0.30678 43 8D+2 0.30695 44 8D-2 0.31209 45 3 Cu 1S 2.00473 46 2S 0.66981 47 3S 0.13947 48 4PX 1.99450 49 4PY 1.99469 50 4PZ 1.99469 51 5PX 0.12455 52 5PY 0.09958 53 5PZ 0.15578 54 6PX 0.06056 55 6PY 0.02086 56 6PZ 0.03537 57 7D 0 1.65218 58 7D+1 1.63784 59 7D-1 1.65527 60 7D+2 1.64468 61 7D-2 1.64124 62 8D 0 0.31857 63 8D+1 0.32193 64 8D-1 0.31866 65 8D+2 0.32157 66 8D-2 0.32007 67 4 Cu 1S 2.00472 68 2S 0.66878 69 3S 0.14107 70 4PX 1.99478 71 4PY 1.99478 72 4PZ 1.99435 73 5PX 0.12684 74 5PY 0.12759 75 5PZ 0.12520 76 6PX 0.04128 77 6PY 0.03322 78 6PZ 0.04177 79 7D 0 1.65073 80 7D+1 1.64756 81 7D-1 1.65117 82 7D+2 1.64128 83 7D-2 1.64039 84 8D 0 0.31918 85 8D+1 0.32061 86 8D-1 0.31788 87 8D+2 0.32132 88 8D-2 0.32158 89 5 Cu 1S 2.00534 90 2S 0.70726 91 3S 0.32476 92 4PX 1.99431 93 4PY 1.99457 94 4PZ 1.99476 95 5PX 0.06727 96 5PY 0.04517 97 5PZ 0.07488 98 6PX 0.01157 99 6PY -0.01298 100 6PZ 0.02903 101 7D 0 1.64347 102 7D+1 1.64989 103 7D-1 1.64940 104 7D+2 1.65739 105 7D-2 1.64355 106 8D 0 0.32488 107 8D+1 0.32469 108 8D-1 0.32306 109 8D+2 0.32225 110 8D-2 0.32357 111 6 Cu 1S 2.00500 112 2S 0.66618 113 3S 0.14414 114 4PX 1.99479 115 4PY 1.99446 116 4PZ 1.99485 117 5PX 0.08066 118 5PY 0.12824 119 5PZ 0.17433 120 6PX -0.00242 121 6PY 0.07369 122 6PZ -0.03382 123 7D 0 1.64951 124 7D+1 1.65547 125 7D-1 1.63248 126 7D+2 1.65382 127 7D-2 1.64612 128 8D 0 0.32155 129 8D+1 0.32172 130 8D-1 0.32559 131 8D+2 0.32173 132 8D-2 0.32141 133 7 Cu 1S 2.00533 134 2S 0.70685 135 3S 0.34751 136 4PX 1.99434 137 4PY 1.99443 138 4PZ 1.99489 139 5PX 0.06389 140 5PY 0.05338 141 5PZ 0.07627 142 6PX 0.02251 143 6PY -0.00004 144 6PZ 0.00234 145 7D 0 1.64476 146 7D+1 1.65141 147 7D-1 1.65552 148 7D+2 1.65080 149 7D-2 1.64110 150 8D 0 0.32416 151 8D+1 0.32422 152 8D-1 0.32234 153 8D+2 0.32251 154 8D-2 0.32531 155 8 Cu 1S 2.00504 156 2S 0.71072 157 3S 0.37213 158 4PX 1.99478 159 4PY 1.99416 160 4PZ 1.99465 161 5PX 0.03373 162 5PY 0.05606 163 5PZ 0.05321 164 6PX 0.00794 165 6PY -0.01110 166 6PZ 0.01650 167 7D 0 1.63560 168 7D+1 1.65770 169 7D-1 1.64983 170 7D+2 1.65165 171 7D-2 1.65594 172 8D 0 0.32856 173 8D+1 0.32551 174 8D-1 0.32681 175 8D+2 0.32380 176 8D-2 0.32346 177 9 C 1S 1.99855 178 2S 0.88295 179 3S 0.69496 180 4PX 0.58092 181 4PY 0.88765 182 4PZ 0.61451 183 5PX 0.08726 184 5PY 0.04383 185 5PZ 0.08964 186 10 O 1S 1.99922 187 2S 0.99114 188 3S 0.83660 189 4PX 1.10356 190 4PY 1.16449 191 4PZ 1.10416 192 5PX 0.36255 193 5PY 0.19365 194 5PZ 0.33936 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 20.569491 -0.604389 -0.204175 -0.219949 -0.306433 -0.280197 2 Cu -0.604389 19.368995 -0.062693 -0.056843 0.049683 0.111237 3 Cu -0.204175 -0.062693 19.187052 0.015166 0.062452 -0.034914 4 Cu -0.219949 -0.056843 0.015166 19.173732 0.081091 -0.024071 5 Cu -0.306433 0.049683 0.062452 0.081091 19.041192 0.052543 6 Cu -0.280197 0.111237 -0.034914 -0.024071 0.052543 19.124804 7 Cu -0.329093 0.058735 0.082339 0.068329 0.072497 0.055417 8 Cu -0.354302 0.002077 0.093803 0.100988 0.050539 0.080083 9 C 0.075123 0.119300 -0.002833 -0.002678 -0.000284 -0.015672 10 O 0.005310 0.036730 -0.009590 -0.009694 -0.005192 0.000261 7 8 9 10 1 Cu -0.329093 -0.354302 0.075123 0.005310 2 Cu 0.058735 0.002077 0.119300 0.036730 3 Cu 0.082339 0.093803 -0.002833 -0.009590 4 Cu 0.068329 0.100988 -0.002678 -0.009694 5 Cu 0.072497 0.050539 -0.000284 -0.005192 6 Cu 0.055417 0.080083 -0.015672 0.000261 7 Cu 19.048642 0.073187 -0.000613 -0.005596 8 Cu 0.073187 19.061530 -0.001242 0.000036 9 C -0.000613 -0.001242 5.149209 0.559967 10 O -0.005596 0.000036 0.559967 7.522483 Mulliken atomic charges: 1 1 Cu 0.648616 2 Cu -0.022830 3 Cu -0.126606 4 Cu -0.126070 5 Cu -0.098087 6 Cu -0.069491 7 Cu -0.123842 8 Cu -0.106698 9 C 0.119725 10 O -0.094716 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.648616 2 Cu -0.022830 3 Cu -0.126606 4 Cu -0.126070 5 Cu -0.098087 6 Cu -0.069491 7 Cu -0.123842 8 Cu -0.106698 9 C 0.119725 10 O -0.094716 Sum of Mulliken charges= 0.00000 Electronic spatial extent (au): = 4213.6387 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.0518 Y= -0.0054 Z= 0.1593 Tot= 0.1676 Quadrupole moment (field-independent basis, Debye-Ang): XX= -110.3170 YY= -115.4930 ZZ= -116.4255 XY= 0.8002 XZ= 1.0554 YZ= -1.0134 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 3.7615 YY= -1.4145 ZZ= -2.3470 XY= 0.8002 XZ= 1.0554 YZ= -1.0134 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 23.5247 YYY= 305.7936 ZZZ= -110.9011 XYY= -5.6275 XXY= 82.4923 XXZ= -29.1024 XZZ= 8.6145 YZZ= 97.8326 YYZ= -22.4698 XYZ= -5.3987 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1124.4338 YYYY= -3215.0394 ZZZZ= -1038.7161 XXXY= 180.9846 XXXZ= 37.7773 YYYX= 217.2053 YYYZ= -155.2856 ZZZX= 45.4623 ZZZY= -70.5627 XXYY= -685.2984 XXZZ= -340.5990 YYZZ= -666.9238 XXYZ= -45.8248 YYXZ= 13.9886 ZZXY= 45.0939 N-N= 2.074092480554D+03 E-N=-8.258314195808D+03 KE= 1.132160562941D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.27572 29.12431 2 O -10.35655 15.96868 3 O -4.34931 2.68677 4 O -4.30768 2.68729 5 O -4.29297 2.68656 6 O -4.29249 2.68780 7 O -4.28870 2.68770 8 O -4.28439 2.68762 9 O -4.28395 2.68764 10 O -4.27154 2.68765 11 O -2.86104 5.08120 12 O -2.85309 5.08576 13 O -2.85226 5.08851 14 O -2.81609 5.08081 15 O -2.81387 5.08370 16 O -2.81354 5.08352 17 O -2.80154 5.07394 18 O -2.80047 5.08314 19 O -2.80026 5.09025 20 O -2.79988 5.08820 21 O -2.79906 5.08514 22 O -2.79854 5.08847 23 O -2.79710 5.08982 24 O -2.79583 5.08617 25 O -2.79492 5.09008 26 O -2.79372 5.08653 27 O -2.79326 5.08662 28 O -2.79087 5.08895 29 O -2.79054 5.08941 30 O -2.79047 5.08932 31 O -2.79007 5.08919 32 O -2.78164 5.08602 33 O -2.77888 5.08933 34 O -2.77639 5.09012 35 O -1.19246 2.85986 36 O -0.59111 2.51891 37 O -0.48760 2.03381 38 O -0.48747 2.03514 39 O -0.48097 2.43942 40 O -0.35967 2.70663 41 O -0.34406 7.94716 42 O -0.33504 7.68535 43 O -0.32985 8.09610 44 O -0.32788 8.93465 45 O -0.32475 7.52973 46 O -0.31851 7.78758 47 O -0.30826 8.26578 48 O -0.30658 8.19603 49 O -0.30601 8.17333 50 O -0.30247 8.81115 51 O -0.29886 8.14265 52 O -0.28982 8.84015 53 O -0.28830 8.81926 54 O -0.28700 8.94460 55 O -0.28374 8.70361 56 O -0.28210 8.84949 57 O -0.27848 8.44380 58 O -0.27508 8.77836 59 O -0.27454 8.53476 60 O -0.27079 9.02175 61 O -0.26935 8.90308 62 O -0.26758 9.08424 63 O -0.26505 9.19459 64 O -0.26471 9.00051 65 O -0.26341 9.06340 66 O -0.26108 9.28157 67 O -0.25980 9.33104 68 O -0.25884 9.42712 69 O -0.25651 9.26196 70 O -0.25634 9.55438 71 O -0.25543 9.32459 72 O -0.25391 9.55654 73 O -0.25310 9.44029 74 O -0.25279 9.48551 75 O -0.25050 9.43359 76 O -0.24803 9.46328 77 O -0.24670 9.57208 78 O -0.24525 9.30016 79 O -0.24474 9.62603 80 O -0.24032 9.56708 81 O -0.20743 2.90606 82 O -0.20421 2.62615 83 O -0.18388 1.91174 84 V -0.09648 1.74153 85 V -0.08718 1.99181 86 V -0.07773 0.89621 87 V -0.06848 0.93739 88 V -0.06138 1.40856 89 V -0.05259 1.09982 90 V -0.03880 0.64706 91 V -0.03106 0.78011 92 V -0.00654 0.59115 93 V -0.00295 0.51478 94 V -0.00073 0.49189 95 V 0.02094 0.45830 96 V 0.02438 0.53572 97 V 0.02492 0.54688 98 V 0.02681 0.42908 99 V 0.03493 0.43417 100 V 0.03576 0.37350 101 V 0.03711 0.38379 102 V 0.03913 0.43284 103 V 0.04359 0.32726 104 V 0.04421 0.33180 105 V 0.04993 0.34324 106 V 0.05397 0.38003 107 V 0.05606 0.38036 108 V 0.06870 0.53414 109 V 0.06988 0.53618 110 V 0.07691 0.45290 111 V 0.07783 0.23863 112 V 0.08119 0.24206 113 V 0.08556 0.31776 114 V 0.08567 0.25157 115 V 0.08952 0.39251 116 V 0.09217 0.43490 117 V 0.09357 0.53846 118 V 0.09871 0.36120 119 V 0.10020 0.55154 120 V 0.10976 0.57489 121 V 0.12042 0.62338 122 V 0.12305 0.56978 123 V 0.15523 0.49327 124 V 0.17439 0.93811 125 V 0.19528 1.27602 126 V 0.20181 1.07474 127 V 0.20551 1.11147 128 V 0.22152 1.42775 129 V 0.24269 1.27975 130 V 0.25628 1.26461 131 V 0.26762 1.46963 132 V 0.27048 1.22786 133 V 0.28082 1.69807 134 V 0.28741 1.35327 135 V 0.29329 1.35806 136 V 0.31129 1.38350 137 V 0.32195 1.39468 138 V 0.34129 1.52181 139 V 0.37594 1.39386 140 V 0.40362 1.38060 141 V 0.52882 2.78410 142 V 0.62694 3.63470 143 V 0.63102 4.31478 144 V 0.64245 4.10143 145 V 0.67019 4.49058 146 V 0.67251 3.40341 147 V 0.67393 4.14528 148 V 0.71060 3.87945 149 V 0.71772 3.79714 150 V 0.73450 3.52270 151 V 0.74958 4.03218 152 V 0.76450 4.31235 153 V 0.77763 4.23757 154 V 0.79105 4.41430 155 V 0.79616 3.97360 156 V 0.81094 4.38266 157 V 0.82424 3.94582 158 V 0.85182 4.43745 159 V 0.86129 3.80626 160 V 0.86859 3.78915 161 V 0.88627 4.56488 162 V 0.90079 4.38503 163 V 0.90235 4.21759 164 V 0.94173 4.33957 165 V 0.96076 4.38967 166 V 1.00192 4.15986 167 V 1.02425 4.06274 168 V 1.03496 4.42120 169 V 1.05108 4.37947 170 V 1.05519 4.31944 171 V 1.08050 4.38207 172 V 1.10605 4.53217 173 V 1.12493 4.48872 174 V 1.13847 4.23381 175 V 1.20034 4.38541 176 V 1.24102 4.62565 177 V 1.27551 4.59779 178 V 1.27935 4.65647 179 V 1.28930 4.59310 180 V 1.30862 4.60366 181 V 1.31063 4.65738 182 V 1.32017 4.61813 183 V 1.32864 4.66678 184 V 1.34953 4.68701 185 V 1.43241 4.61628 186 V 1.58100 2.98251 187 V 1.68601 2.94477 188 V 1.71938 2.06591 189 V 1.88193 2.48852 190 V 2.06091 1.90049 191 V 2.64061 1.38911 192 V 2.75330 1.45192 193 V 4.05970 1.57715 194 V 10.64344 2.95114 Total kinetic energy from orbitals= 1.132160562941D+03 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon Apr 14 13:42:59 2008, MaxMem= 1258291200 cpu: 3.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l701.exe) Compute integral first derivatives. ... and contract with generalized density number 0. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 701 at Mon Apr 14 13:43:06 2008, MaxMem= 1258291200 cpu: 19.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l702.exe) L702 exits ... SP integral derivatives will be done elsewhere. Leave Link 702 at Mon Apr 14 13:43:07 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 Mon Apr 14 13:43:33 2008, MaxMem= 1258291200 cpu: 102.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole =-2.03623487D-02-2.12464307D-03 6.26611651D-02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000430880 -0.000016900 0.001278212 2 29 -0.000164255 0.000852437 -0.001268702 3 29 -0.000017863 0.000034455 0.000039762 4 29 0.000265698 -0.000012819 0.000090166 5 29 -0.000014237 0.000012195 -0.000350468 6 29 0.000146734 -0.000421092 -0.000350593 7 29 -0.000144696 -0.000165575 -0.000187438 8 29 0.000203910 -0.000162702 0.000011117 9 6 0.000333486 -0.000109182 0.000923055 10 8 -0.000177896 -0.000010817 -0.000185110 ------------------------------------------------------------------- Cartesian Forces: Max 0.001278212 RMS 0.000443575 Leave Link 716 at Mon Apr 14 13:43:33 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000399826 RMS 0.000141108 Search for a local minimum. Step number 1 out of a maximum of 78 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- first step. Eigenvalues --- 0.03491 0.03850 0.03867 0.04172 0.05592 Eigenvalues --- 0.06893 0.07202 0.08219 0.08632 0.08851 Eigenvalues --- 0.09438 0.09928 0.10551 0.10743 0.11579 Eigenvalues --- 0.12537 0.13392 0.14051 0.14985 0.16406 Eigenvalues --- 0.16941 0.17722 0.18573 1.22170 999.97631 Eigenvalues --- 999.98992 999.99143 999.99591 999.99682 999.99853 Eigenvalues --- 999.99892 999.99902 999.99935 999.99943 999.99954 Eigenvalues --- 999.99965 999.99968 999.99970 999.99978 999.99983 Eigenvalues --- 999.99987 999.99990 999.99992 999.99994 999.99995 Eigenvalues --- 999.99997 999.99998 999.999991000.000001000.00002 Eigenvalues --- 1000.000051000.000091000.000121000.000201000.00026 Eigenvalues --- 1000.000271000.000321000.000471000.000781000.00083 Eigenvalues --- 1000.001351000.001411000.001981000.002741000.00453 Eigenvalues --- 1000.006851000.009841000.02559 RFO step: Lambda=-9.65992597D-06. Linear search not attempted -- first point. SLEqS1 Cycle: 301 Max:0.315962E-02 RMS:0.110195E-02 Conv:0.869654E-07 SLEqS1 Cycle: 301 Max:0.315962E-02 RMS:0.110195E-02 Conv:0.869654E-07 Iteration 1 RMS(Cart)= 0.00012616 RMS(Int)= 0.00099281 Iteration 2 RMS(Cart)= 0.00000000 RMS(Int)= 0.00099281 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.72419 -0.00021 0.00000 -0.00226 0.00000 4.72419 R2 4.85519 0.00012 0.00000 0.00057 0.00005 4.85524 R3 4.87645 0.00004 0.00000 0.00049 0.00004 4.87650 R4 4.63390 -0.00006 0.00000 -0.00045 -0.00005 4.63385 R5 4.67959 0.00006 0.00000 0.00050 0.00001 4.67961 R6 4.63494 0.00022 0.00000 0.00167 0.00022 4.63515 R7 4.56918 -0.00029 0.00000 -0.00246 -0.00029 4.56889 R8 4.89615 -0.00017 0.00000 -0.00118 -0.00010 4.89605 R9 4.70768 -0.00009 0.00000 -0.00094 -0.00008 4.70760 R10 3.58500 -0.00008 0.00000 -0.00049 0.00000 3.58500 R11 4.78002 -0.00027 0.00000 -0.00274 -0.00031 4.77971 R12 4.78100 -0.00018 0.00000 -0.00219 -0.00027 4.78073 R13 4.76174 -0.00004 0.00000 -0.00080 -0.00010 4.76163 R14 8.15524 0.00002 0.00000 -0.00144 -0.00020 8.15503 R15 4.57823 0.00014 0.00000 0.00114 0.00015 4.57838 R16 7.24336 -0.00004 0.00000 -0.00172 -0.00019 7.24317 R17 2.20881 0.00004 0.00000 0.00003 -0.00001 2.20880 A1 1.06965 -0.00013 0.00000 -0.00072 -0.00009 1.06956 A2 1.05480 -0.00016 0.00000 -0.00088 -0.00010 1.05470 A3 1.95604 -0.00016 0.00000 -0.00115 -0.00014 1.95590 A4 2.97847 -0.00010 0.00000 -0.00050 -0.00005 2.97842 A5 1.00892 -0.00006 0.00000 -0.00055 -0.00008 1.00884 A6 1.05667 -0.00031 0.00000 -0.00174 -0.00021 1.05646 A7 1.89627 -0.00004 0.00000 -0.00050 -0.00009 1.89617 A8 1.97297 -0.00004 0.00000 -0.00054 -0.00004 1.97293 A9 1.89979 -0.00040 0.00000 -0.00240 -0.00028 1.89951 A10 1.91157 0.00003 0.00000 0.00029 0.00005 1.91162 A11 1.96262 -0.00026 0.00000 -0.00161 -0.00020 1.96242 A12 2.01445 -0.00004 0.00000 -0.00003 -0.00002 2.01442 A13 1.94675 -0.00009 0.00000 -0.00106 -0.00011 1.94664 A14 2.05448 0.00001 0.00000 0.00033 0.00007 2.05455 A15 3.14159 0.00015 0.00000 0.00056 0.00000 3.14159 A16 1.86374 0.00013 0.00000 0.00075 0.00003 1.86378 A17 2.08412 -0.00017 0.00000 -0.00090 -0.00003 2.08409 A18 1.87478 -0.00007 0.00000 -0.00047 -0.00001 1.87478 A19 1.87818 0.00006 0.00000 0.00051 0.00007 1.87825 A20 1.02869 0.00001 0.00000 0.00014 0.00000 1.02869 A21 1.99484 -0.00005 0.00000 -0.00062 -0.00006 1.99478 A22 1.93840 -0.00003 0.00000 0.00004 0.00001 1.93842 A23 1.49766 -0.00009 0.00000 -0.00053 0.00001 1.49767 A24 1.08648 -0.00014 0.00000 -0.00072 -0.00006 1.08642 A25 1.25762 -0.00015 0.00000 -0.00078 -0.00005 1.25757 A26 1.19315 -0.00016 0.00000 -0.00070 -0.00009 1.19306 A27 3.14003 0.00020 0.00000 0.00110 0.00014 3.14017 A28 2.55307 -0.00015 0.00000 -0.00112 -0.00016 2.55292 D1 -1.08271 -0.00006 0.00000 -0.00013 0.00047 -1.08224 D2 2.80507 0.00025 0.00000 0.00199 0.00072 2.80580 D3 -1.66110 -0.00001 0.00000 0.00041 0.00053 -1.66057 D4 -1.27381 -0.00012 0.00000 -0.00228 0.00020 -1.27361 D5 0.68909 -0.00002 0.00000 0.00036 0.00002 0.68910 D6 -0.45456 0.00035 0.00000 0.00250 0.00029 -0.45428 D7 1.81352 -0.00014 0.00000 -0.00084 -0.00012 1.81340 D8 2.95949 -0.00011 0.00000 -0.00061 -0.00007 2.95942 D9 0.10456 -0.00004 0.00000 0.00025 0.00001 0.10457 D10 2.58612 0.00002 0.00000 -0.00027 -0.00008 2.58604 D11 0.58891 0.00001 0.00000 -0.00034 -0.00005 0.58887 D12 -2.86022 0.00006 0.00000 -0.00001 -0.00050 -2.86072 D13 1.17397 -0.00006 0.00000 -0.00001 0.00002 1.17399 D14 -0.71415 0.00008 0.00000 0.00028 0.00004 -0.71411 D15 1.04619 0.00007 0.00000 0.00070 0.00009 1.04628 D16 1.78713 0.00011 0.00000 0.00081 0.00008 1.78721 D17 -0.07033 0.00015 0.00000 0.00154 0.00016 -0.07017 D18 -1.74488 -0.00002 0.00000 0.00008 -0.00002 -1.74491 D19 -2.18313 -0.00003 0.00000 -0.00023 -0.00007 -2.18319 D20 0.01531 -0.00005 0.00000 -0.00051 -0.00004 0.01527 D21 1.13856 -0.00006 0.00000 -0.00048 -0.00005 1.13851 D22 3.14045 0.00013 0.00000 0.00073 0.00010 3.14055 D23 -2.05311 0.00013 0.00000 0.00086 0.00009 -2.05302 Item Value Threshold Converged? Maximum Force 0.000400 0.000450 YES RMS Force 0.000141 0.000300 YES Maximum Displacement 0.000616 0.001800 YES RMS Displacement 0.000126 0.001200 YES Predicted change in Energy=-9.373124D-07 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 2.4999 -DE/DX = -0.0002 ! ! R2 R(1,3) 2.5693 -DE/DX = 0.0001 ! ! R3 R(1,4) 2.5805 -DE/DX = 0.0 ! ! R4 R(1,5) 2.4522 -DE/DX = -0.0001 ! ! R5 R(1,6) 2.4763 -DE/DX = 0.0001 ! ! R6 R(1,7) 2.4527 -DE/DX = 0.0002 ! ! R7 R(1,8) 2.4179 -DE/DX = -0.0003 ! ! R8 R(2,3) 2.5909 -DE/DX = -0.0002 ! ! R9 R(2,7) 2.4912 -DE/DX = -0.0001 ! ! R10 R(2,9) 1.8971 -DE/DX = -0.0001 ! ! R11 R(3,6) 2.5295 -DE/DX = -0.0003 ! ! R12 R(4,6) 2.53 -DE/DX = -0.0002 ! ! R13 R(4,7) 2.5198 -DE/DX = 0.0 ! ! R14 R(5,8) 4.3156 -DE/DX = 0.0 ! ! R15 R(6,8) 2.4227 -DE/DX = 0.0001 ! ! R16 R(7,9) 3.833 -DE/DX = 0.0 ! ! R17 R(9,10) 1.1689 -DE/DX = 0.0 ! ! A1 A(2,1,4) 61.2862 -DE/DX = -0.0001 ! ! A2 A(2,1,5) 60.4355 -DE/DX = -0.0002 ! ! A3 A(2,1,6) 112.0727 -DE/DX = -0.0002 ! ! A4 A(2,1,8) 170.6536 -DE/DX = -0.0001 ! ! A5 A(3,1,4) 57.8069 -DE/DX = -0.0001 ! ! A6 A(3,1,5) 60.5425 -DE/DX = -0.0003 ! ! A7 A(3,1,7) 108.6482 -DE/DX = 0.0 ! ! A8 A(3,1,8) 113.043 -DE/DX = 0.0 ! ! A9 A(4,1,5) 108.8499 -DE/DX = -0.0004 ! ! A10 A(4,1,8) 109.5249 -DE/DX = 0.0 ! ! A11 A(5,1,6) 112.4497 -DE/DX = -0.0003 ! ! A12 A(5,1,7) 115.4193 -DE/DX = 0.0 ! ! A13 A(6,1,7) 111.5404 -DE/DX = -0.0001 ! ! A14 A(7,1,8) 117.713 -DE/DX = 0.0 ! ! A15 A(1,2,9) 179.9999 -DE/DX = 0.0001 ! ! A16 A(3,2,7) 106.7847 -DE/DX = 0.0001 ! ! A17 A(3,2,9) 119.4113 -DE/DX = -0.0002 ! ! A18 A(2,3,6) 107.4173 -DE/DX = -0.0001 ! ! A19 A(6,4,7) 107.6115 -DE/DX = 0.0001 ! ! A20 A(3,6,4) 58.9396 -DE/DX = 0.0 ! ! A21 A(3,6,8) 114.2959 -DE/DX = 0.0 ! ! A22 A(4,6,8) 111.0623 -DE/DX = 0.0 ! ! A23 A(1,7,9) 85.8097 -DE/DX = -0.0001 ! ! A24 A(2,7,4) 62.251 -DE/DX = -0.0001 ! ! A25 A(4,7,9) 72.0565 -DE/DX = -0.0002 ! ! A26 A(5,8,6) 68.3622 -DE/DX = -0.0002 ! ! A27 A(2,9,10) 179.9105 -DE/DX = 0.0002 ! ! A28 A(7,9,10) 146.2802 -DE/DX = -0.0002 ! ! D1 D(4,1,2,9) -62.0348 -DE/DX = -0.0001 ! ! D2 D(5,1,2,9) 160.7189 -DE/DX = 0.0003 ! ! D3 D(6,1,2,9) -95.1741 -DE/DX = 0.0 ! ! D4 D(8,1,2,9) -72.984 -DE/DX = -0.0001 ! ! D5 D(3,1,7,9) 39.4817 -DE/DX = 0.0 ! ! D6 D(5,1,7,9) -26.0446 -DE/DX = 0.0004 ! ! D7 D(6,1,7,9) 103.9071 -DE/DX = -0.0001 ! ! D8 D(8,1,7,9) 169.5661 -DE/DX = -0.0001 ! ! D9 D(7,2,3,6) 5.9907 -DE/DX = 0.0 ! ! D10 D(9,2,3,6) 148.1737 -DE/DX = 0.0 ! ! D11 D(3,2,7,4) 33.7423 -DE/DX = 0.0 ! ! D12 D(1,2,9,10) -163.8783 -DE/DX = 0.0001 ! ! D13 D(3,2,9,10) 67.2635 -DE/DX = -0.0001 ! ! D14 D(2,3,6,4) -40.9178 -DE/DX = 0.0001 ! ! D15 D(2,3,6,8) 59.942 -DE/DX = 0.0001 ! ! D16 D(7,4,6,3) 102.395 -DE/DX = 0.0001 ! ! D17 D(7,4,6,8) -4.0294 -DE/DX = 0.0002 ! ! D18 D(6,4,7,2) -99.9745 -DE/DX = 0.0 ! ! D19 D(6,4,7,9) -125.0839 -DE/DX = 0.0 ! ! D20 D(3,6,8,5) 0.8771 -DE/DX = 0.0 ! ! D21 D(4,6,8,5) 65.2347 -DE/DX = -0.0001 ! ! D22 D(1,7,9,10) 179.9345 -DE/DX = 0.0001 ! ! D23 D(4,7,9,10) -117.6343 -DE/DX = 0.0001 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Largest change from initial coordinates is atom 0 0.000 Angstoms. Leave Link 103 at Mon Apr 14 13:43:34 2008, MaxMem= 1258291200 cpu: 1.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 -0.315291 -0.212072 1.241403 2 29 0 0.257738 -2.448234 0.281773 3 29 0 1.335088 -0.317752 -0.724850 4 29 0 -1.074728 -0.760862 -1.162990 5 29 0 1.925395 -1.142853 1.596416 6 29 0 -0.339270 1.563015 -0.485074 7 29 0 -2.092112 -1.860027 0.863381 8 29 0 -0.976003 2.045196 1.802178 9 6 0 0.692583 -4.145167 -0.446451 10 8 0 0.962212 -5.190519 -0.894514 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.499934 0.000000 3 Cu 2.569255 2.590931 0.000000 4 Cu 2.580508 2.590373 2.489082 0.000000 5 Cu 2.452155 2.492666 2.533284 4.094017 0.000000 6 Cu 2.476335 4.127298 2.529477 2.529995 4.096710 7 Cu 2.452703 2.491195 4.080048 2.519804 4.146329 8 Cu 2.417906 4.901496 4.160594 4.083617 4.315566 9 C 4.397032 1.897098 3.890941 3.884628 3.834973 10 O 5.565886 3.065952 4.889956 4.882936 4.849335 6 7 8 9 10 6 Cu 0.000000 7 Cu 4.075292 0.000000 8 Cu 2.422695 4.168670 0.000000 9 C 5.800823 3.833021 6.794196 0.000000 10 O 6.889972 4.848841 7.961432 1.168854 0.000000 Symmetry turned off by external request. Stoichiometry CCu8O Framework group C1[X(CCu8O)] Deg. of freedom 24 Full point group C1 Rotational constants (GHZ): 0.3928415 0.2285162 0.2107790 Leave Link 202 at Mon Apr 14 13:43:34 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27572 -10.35655 -4.34931 -4.30768 -4.29297 Alpha occ. eigenvalues -- -4.29249 -4.28870 -4.28439 -4.28395 -4.27154 Alpha occ. eigenvalues -- -2.86104 -2.85309 -2.85226 -2.81609 -2.81387 Alpha occ. eigenvalues -- -2.81354 -2.80154 -2.80047 -2.80026 -2.79988 Alpha occ. eigenvalues -- -2.79906 -2.79854 -2.79710 -2.79583 -2.79492 Alpha occ. eigenvalues -- -2.79372 -2.79326 -2.79087 -2.79054 -2.79047 Alpha occ. eigenvalues -- -2.79007 -2.78164 -2.77888 -2.77639 -1.19246 Alpha occ. eigenvalues -- -0.59111 -0.48760 -0.48747 -0.48097 -0.35967 Alpha occ. eigenvalues -- -0.34406 -0.33504 -0.32985 -0.32788 -0.32475 Alpha occ. eigenvalues -- -0.31851 -0.30826 -0.30658 -0.30601 -0.30247 Alpha occ. eigenvalues -- -0.29886 -0.28982 -0.28830 -0.28700 -0.28374 Alpha occ. eigenvalues -- -0.28210 -0.27848 -0.27508 -0.27454 -0.27079 Alpha occ. eigenvalues -- -0.26935 -0.26758 -0.26505 -0.26471 -0.26341 Alpha occ. eigenvalues -- -0.26108 -0.25980 -0.25884 -0.25651 -0.25634 Alpha occ. eigenvalues -- -0.25543 -0.25391 -0.25310 -0.25279 -0.25050 Alpha occ. eigenvalues -- -0.24803 -0.24670 -0.24525 -0.24474 -0.24032 Alpha occ. eigenvalues -- -0.20743 -0.20421 -0.18388 Alpha virt. eigenvalues -- -0.09648 -0.08718 -0.07773 -0.06848 -0.06138 Alpha virt. eigenvalues -- -0.05259 -0.03880 -0.03106 -0.00654 -0.00295 Alpha virt. eigenvalues -- -0.00073 0.02094 0.02438 0.02492 0.02681 Alpha virt. eigenvalues -- 0.03493 0.03576 0.03711 0.03913 0.04359 Alpha virt. eigenvalues -- 0.04421 0.04993 0.05397 0.05606 0.06870 Alpha virt. eigenvalues -- 0.06988 0.07691 0.07783 0.08119 0.08556 Alpha virt. eigenvalues -- 0.08567 0.08952 0.09217 0.09357 0.09871 Alpha virt. eigenvalues -- 0.10020 0.10976 0.12042 0.12305 0.15523 Alpha virt. eigenvalues -- 0.17439 0.19528 0.20181 0.20551 0.22152 Alpha virt. eigenvalues -- 0.24269 0.25628 0.26762 0.27048 0.28082 Alpha virt. eigenvalues -- 0.28741 0.29329 0.31129 0.32195 0.34129 Alpha virt. eigenvalues -- 0.37594 0.40362 0.52882 0.62694 0.63102 Alpha virt. eigenvalues -- 0.64245 0.67019 0.67251 0.67393 0.71060 Alpha virt. eigenvalues -- 0.71772 0.73450 0.74958 0.76450 0.77763 Alpha virt. eigenvalues -- 0.79105 0.79616 0.81094 0.82424 0.85182 Alpha virt. eigenvalues -- 0.86129 0.86859 0.88627 0.90079 0.90235 Alpha virt. eigenvalues -- 0.94173 0.96076 1.00192 1.02425 1.03496 Alpha virt. eigenvalues -- 1.05108 1.05519 1.08050 1.10605 1.12493 Alpha virt. eigenvalues -- 1.13847 1.20034 1.24102 1.27551 1.27935 Alpha virt. eigenvalues -- 1.28930 1.30862 1.31063 1.32017 1.32864 Alpha virt. eigenvalues -- 1.34953 1.43241 1.58100 1.68601 1.71938 Alpha virt. eigenvalues -- 1.88193 2.06091 2.64061 2.75330 4.05970 Alpha virt. eigenvalues -- 10.64344 Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.27572 -10.35655 -4.34931 -4.30768 -4.29297 1 1 Cu 1S -0.00002 0.00056 0.00089 1.00091 -0.00614 2 2S -0.00002 0.00084 -0.00140 0.00698 -0.00156 3 3S -0.00018 0.00367 -0.00384 0.02080 0.00056 4 4PX 0.00000 -0.00001 -0.00003 0.00007 -0.00006 5 4PY 0.00000 0.00002 0.00010 0.00032 0.00001 6 4PZ 0.00000 0.00000 0.00005 0.00001 0.00012 7 5PX -0.00011 0.00095 -0.00099 0.00069 -0.00118 8 5PY 0.00030 -0.00347 0.00416 -0.00131 0.00045 9 5PZ 0.00010 -0.00122 0.00106 -0.00428 0.00123 10 6PX -0.00076 0.00037 -0.00157 0.00062 -0.00189 11 6PY 0.00285 -0.00038 0.00194 -0.00364 0.00084 12 6PZ -0.00007 -0.00103 0.00385 -0.00634 -0.00064 13 7D 0 0.00000 0.00000 0.00002 -0.00034 -0.00001 14 7D+1 0.00000 0.00000 0.00001 -0.00005 0.00002 15 7D-1 -0.00001 0.00000 -0.00006 0.00021 0.00001 16 7D+2 0.00001 0.00000 0.00004 -0.00032 -0.00001 17 7D-2 0.00000 0.00000 0.00003 -0.00021 0.00000 18 8D 0 -0.00002 -0.00002 -0.00004 0.00033 -0.00010 19 8D+1 -0.00001 -0.00001 -0.00002 -0.00008 0.00013 20 8D-1 0.00003 0.00004 0.00012 0.00007 -0.00009 21 8D+2 -0.00003 -0.00005 -0.00002 0.00010 -0.00005 22 8D-2 -0.00002 -0.00001 -0.00004 0.00005 0.00000 23 2 Cu 1S 0.00036 0.00176 0.99878 -0.00322 -0.00187 24 2S 0.00044 0.00269 0.00336 -0.00142 -0.00114 25 3S 0.00118 0.00136 0.01474 -0.00015 -0.00243 26 4PX 0.00001 0.00003 0.00056 0.00003 -0.00002 27 4PY -0.00002 -0.00012 -0.00202 -0.00012 -0.00012 28 4PZ -0.00001 -0.00004 -0.00049 -0.00004 0.00003 29 5PX -0.00005 0.00199 -0.00288 0.00009 -0.00102 30 5PY 0.00019 -0.00753 0.01312 -0.00001 -0.00021 31 5PZ 0.00008 -0.00359 0.00289 -0.00070 0.00139 32 6PX -0.00039 -0.00029 0.00055 0.00074 0.00023 33 6PY 0.00121 0.00145 -0.00052 -0.00038 -0.00024 34 6PZ 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0.00013 0.00072 0.00101 -0.00069 0.00054 24 2S 0.00011 -0.00023 -0.00020 0.00023 0.00000 25 3S 0.01068 0.02221 0.00551 -0.00605 0.00250 26 4PX -0.00081 0.00018 0.00389 0.00438 -0.00387 27 4PY 0.00234 0.00620 0.00660 -0.00371 0.00204 28 4PZ -0.00132 -0.00405 -0.00298 0.00371 -0.00231 29 5PX -0.00324 0.00005 0.00331 0.00194 0.00057 30 5PY 0.01030 0.00623 -0.00457 0.00301 -0.00182 31 5PZ 0.00160 -0.00373 -0.00354 0.00352 -0.00156 32 6PX 0.00155 0.00102 -0.00099 0.00214 0.00102 33 6PY 0.00240 0.00049 0.00310 -0.00141 0.00199 34 6PZ 0.00155 -0.00161 0.00251 -0.00093 0.00119 35 7D 0 0.00001 -0.00007 -0.00008 0.00002 -0.00002 36 7D+1 -0.00002 0.00003 -0.00002 -0.00014 0.00005 37 7D-1 0.00005 -0.00017 -0.00024 0.00022 -0.00015 38 7D+2 -0.00003 -0.00004 -0.00018 0.00001 0.00001 39 7D-2 0.00000 0.00005 0.00023 0.00021 -0.00017 40 8D 0 -0.00020 0.00039 0.00043 -0.00018 0.00016 41 8D+1 0.00014 -0.00018 0.00000 0.00065 -0.00003 42 8D-1 -0.00058 0.00062 0.00125 -0.00109 0.00084 43 8D+2 0.00016 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0.00005 0.00005 -0.00017 0.00003 0.00008 104 7D+2 -0.00015 0.00001 0.00003 0.00001 0.00001 105 7D-2 0.00016 0.00002 -0.00005 0.00003 0.00005 106 8D 0 -0.00071 0.00018 -0.00077 0.00003 0.00012 107 8D+1 0.00095 0.00052 -0.00062 0.00060 0.00043 108 8D-1 -0.00041 -0.00021 0.00103 -0.00025 -0.00054 109 8D+2 0.00072 0.00004 0.00010 0.00006 -0.00004 110 8D-2 -0.00101 -0.00020 0.00031 -0.00028 -0.00036 111 6 Cu 1S 0.00263 0.00180 -0.00133 0.00051 -0.00068 112 2S 0.00166 0.00152 -0.00032 -0.00004 -0.00026 113 3S 0.00521 0.00909 -0.00427 0.00284 -0.00043 114 4PX -0.00039 -0.02184 0.05493 -0.02548 -0.05302 115 4PY 0.03003 0.08570 -0.12569 0.06337 -0.09129 116 4PZ -0.02306 0.00830 -0.01620 0.00910 -0.02282 117 5PX -0.00008 0.00098 0.00111 0.00226 0.00245 118 5PY -0.00112 -0.00085 -0.00390 0.00303 -0.00197 119 5PZ 0.00110 -0.00172 0.00129 0.00060 0.00132 120 6PX -0.00003 -0.00140 0.00591 0.00719 -0.00496 121 6PY -0.00030 0.00260 0.00737 -0.00375 0.00230 122 6PZ -0.00081 0.00877 -0.00416 0.00241 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-0.18867 13 7D 0 -0.00140 0.00105 0.00030 -0.00639 -0.08445 14 7D+1 -0.00091 -0.00056 0.00064 -0.00478 0.05204 15 7D-1 0.00348 0.00120 0.00066 0.01811 -0.09446 16 7D+2 -0.00351 0.00046 -0.00082 -0.01677 0.02579 17 7D-2 -0.00198 -0.00022 0.00152 -0.00989 0.03609 18 8D 0 0.00059 0.00064 0.00023 -0.00078 -0.02986 19 8D+1 0.00052 -0.00037 0.00050 -0.00151 0.01894 20 8D-1 -0.00210 0.00078 0.00043 0.00472 -0.03513 21 8D+2 0.00167 0.00015 -0.00056 -0.00425 0.01012 22 8D-2 0.00095 -0.00019 0.00108 -0.00258 0.01359 23 2 Cu 1S -0.01267 0.00012 -0.00009 -0.01129 0.00538 24 2S 0.08406 0.00289 0.00150 0.18397 -0.15133 25 3S -0.15228 0.00067 -0.00014 -0.18860 -0.09572 26 4PX -0.00847 0.00145 -0.00965 -0.01410 -0.01194 27 4PY 0.03293 0.00490 -0.00092 0.05412 0.05951 28 4PZ 0.01420 -0.00826 -0.00223 0.02499 0.00766 29 5PX 0.00309 -0.00119 0.00916 0.02057 0.02250 30 5PY -0.01647 -0.00202 0.00083 -0.07889 -0.11008 31 5PZ 0.00136 0.00332 0.00166 -0.03550 -0.01592 32 6PX -0.01389 -0.01078 0.11424 0.02405 0.01647 33 6PY 0.00951 -0.02071 0.01841 -0.08501 -0.01221 34 6PZ 0.06054 0.04558 0.02473 -0.07592 -0.01892 35 7D 0 -0.02484 -0.04339 -0.01240 -0.07868 0.16456 36 7D+1 -0.01283 0.01861 -0.02252 -0.03837 -0.07527 37 7D-1 0.05089 -0.04312 -0.01853 0.15593 0.18817 38 7D+2 -0.05586 -0.03272 0.02347 -0.17215 0.07932 39 7D-2 -0.03058 0.00242 -0.06044 -0.09347 -0.01092 40 8D 0 -0.01179 -0.01069 -0.00314 -0.02400 0.05842 41 8D+1 -0.00587 0.00462 -0.00571 -0.01070 -0.02471 42 8D-1 0.02371 -0.01077 -0.00468 0.04466 0.05858 43 8D+2 -0.02576 -0.00815 0.00596 -0.05015 0.03022 44 8D-2 -0.01414 0.00062 -0.01540 -0.02711 -0.00148 45 3 Cu 1S 0.00067 0.00012 -0.00009 -0.00211 0.01236 46 2S 0.00562 -0.00087 0.00090 0.01971 -0.20600 47 3S 0.03804 0.01154 -0.00758 0.00996 -0.05222 48 4PX 0.00070 0.00019 -0.00018 0.00360 -0.03535 49 4PY 0.00119 -0.00039 0.00029 0.00418 -0.00897 50 4PZ -0.00049 -0.00041 0.00004 -0.00335 0.02483 51 5PX -0.00558 0.00004 -0.00017 -0.00309 0.05594 52 5PY -0.00766 0.00118 0.00057 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112 2S 0.00028 -0.00006 0.00001 0.00507 -0.13617 113 3S 0.02330 -0.01405 -0.00153 -0.01703 0.04262 114 4PX -0.00007 0.00003 -0.00008 -0.00022 0.00284 115 4PY 0.00066 -0.00005 -0.00001 0.00167 -0.02645 116 4PZ -0.00017 -0.00009 -0.00003 -0.00046 0.00973 117 5PX -0.00023 -0.00082 0.00079 0.00097 -0.00051 118 5PY -0.00570 0.00401 0.00044 0.00163 0.01531 119 5PZ 0.00452 -0.00001 0.00006 -0.00575 -0.00844 120 6PX 0.00353 0.00148 -0.00783 -0.01875 -0.03018 121 6PY 0.00678 -0.00147 -0.00141 0.03844 0.04848 122 6PZ -0.01645 -0.00429 -0.00114 0.04798 0.06402 123 7D 0 -0.00006 -0.00010 -0.00002 -0.00067 0.03006 124 7D+1 0.00000 0.00004 -0.00002 -0.00006 0.00363 125 7D-1 -0.00009 -0.00009 -0.00003 -0.00137 0.04203 126 7D+2 -0.00022 -0.00009 -0.00001 -0.00259 0.09612 127 7D-2 -0.00007 -0.00001 -0.00005 -0.00073 0.02884 128 8D 0 -0.00009 0.00013 0.00001 -0.00010 0.00826 129 8D+1 -0.00009 -0.00007 0.00005 -0.00004 0.00198 130 8D-1 -0.00002 0.00018 0.00002 -0.00008 0.01528 131 8D+2 -0.00038 0.00009 0.00002 -0.00038 0.03349 132 8D-2 -0.00014 0.00000 -0.00005 -0.00013 0.00994 133 7 Cu 1S 0.00068 0.00021 0.00009 -0.00196 0.00866 134 2S 0.00520 0.00103 -0.00114 0.01894 -0.11151 135 3S 0.04121 -0.00836 0.01662 0.02531 -0.01666 136 4PX -0.00151 -0.00004 -0.00023 -0.00634 0.02152 137 4PY 0.00041 0.00029 -0.00054 0.00006 0.01096 138 4PZ 0.00038 0.00004 -0.00024 0.00183 -0.00923 139 5PX 0.00936 -0.00053 0.00149 0.01257 -0.01521 140 5PY 0.00018 -0.00235 -0.00189 -0.00440 -0.01555 141 5PZ 0.00299 -0.00096 -0.00073 -0.00319 -0.00256 142 6PX 0.01354 -0.00439 0.00572 -0.00799 -0.00025 143 6PY -0.00080 0.00643 -0.03735 0.02172 -0.00282 144 6PZ -0.00403 -0.01358 -0.00781 -0.00162 0.02241 145 7D 0 -0.00142 -0.00033 -0.00069 -0.00657 0.03018 146 7D+1 -0.00132 -0.00030 -0.00006 -0.00542 0.06325 147 7D-1 0.00049 -0.00022 -0.00121 0.00048 0.02734 148 7D+2 0.00197 -0.00088 0.00245 0.01003 -0.04481 149 7D-2 -0.00085 -0.00042 0.00152 0.00105 -0.06813 150 8D 0 -0.00042 0.00004 -0.00009 -0.00192 0.01047 151 8D+1 0.00020 -0.00044 0.00002 -0.00114 0.02239 152 8D-1 0.00015 0.00003 -0.00060 -0.00013 0.00758 153 8D+2 0.00009 -0.00022 0.00095 0.00293 -0.01462 154 8D-2 0.00050 -0.00022 0.00062 0.00166 -0.02302 155 8 Cu 1S -0.00053 0.00041 0.00002 0.00029 0.00184 156 2S -0.00039 0.00046 0.00002 0.00400 -0.07141 157 3S -0.03017 -0.02492 -0.00431 0.08068 -0.13302 158 4PX -0.00002 0.00003 -0.00014 -0.00037 0.00473 159 4PY 0.00008 -0.00011 -0.00004 0.00115 -0.01326 160 4PZ -0.00001 -0.00002 -0.00003 0.00046 -0.00761 161 5PX -0.00233 -0.00107 0.00212 0.00439 -0.01334 162 5PY 0.00700 0.00410 0.00109 -0.01330 0.04908 163 5PZ 0.00303 0.00136 0.00059 -0.00489 0.00852 164 6PX -0.00221 0.00133 0.00132 -0.00179 -0.00767 165 6PY -0.00265 0.00191 0.00017 -0.01461 -0.01850 166 6PZ -0.00078 -0.00399 -0.00002 0.02960 0.08681 167 7D 0 -0.00008 0.00000 0.00000 -0.00097 0.00643 168 7D+1 -0.00004 -0.00001 0.00000 -0.00048 0.01519 169 7D-1 0.00010 0.00001 0.00000 0.00132 -0.03232 170 7D+2 -0.00020 -0.00002 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0.00112 0.04913 0.00676 15 7D-1 -0.06556 -0.07692 -0.13141 -0.00135 -0.28727 16 7D+2 0.10308 -0.11580 -0.13310 0.01694 0.11495 17 7D-2 -0.21230 -0.03316 -0.03238 -0.06541 0.10129 18 8D 0 -0.01666 -0.05805 0.00035 0.00466 0.07290 19 8D+1 -0.04307 0.01682 0.00053 0.01528 0.00311 20 8D-1 -0.02226 -0.02578 -0.04403 -0.00079 -0.09679 21 8D+2 0.03533 -0.04011 -0.04584 0.00618 0.03701 22 8D-2 -0.07285 -0.01167 -0.01131 -0.02265 0.03359 23 2 Cu 1S -0.00005 -0.00157 0.00020 0.00002 -0.00188 24 2S -0.00090 0.06083 -0.06574 0.00020 0.08054 25 3S -0.00088 0.01775 -0.04101 0.00118 -0.15847 26 4PX -0.01686 0.00598 0.00285 0.00083 -0.00876 27 4PY -0.00301 -0.01893 -0.00995 0.00061 0.03064 28 4PZ -0.00329 -0.01368 -0.00551 0.00030 0.01786 29 5PX 0.00123 -0.01071 0.00140 -0.00260 0.03144 30 5PY -0.00056 0.05740 -0.03214 -0.00065 -0.14000 31 5PZ -0.00004 0.00367 0.02262 -0.00056 -0.03341 32 6PX 0.03411 0.00005 -0.01519 0.01327 0.00407 33 6PY 0.00490 0.01000 0.00713 0.00199 -0.03733 34 6PZ 0.00505 -0.01497 0.04222 0.00279 0.03769 35 7D 0 0.04594 0.03237 0.51881 0.23343 0.29654 36 7D+1 0.11182 -0.02121 -0.25559 0.75019 0.02399 37 7D-1 0.14751 0.53632 0.13883 0.09809 -0.24450 38 7D+2 -0.25206 0.44771 -0.35149 -0.07420 0.35233 39 7D-2 0.61668 0.05209 -0.17086 -0.19349 0.18478 40 8D 0 0.01556 0.01322 0.16564 0.07349 0.09708 41 8D+1 0.03805 -0.00802 -0.08241 0.23627 0.00785 42 8D-1 0.04878 0.17314 0.04922 0.03119 -0.07730 43 8D+2 -0.08333 0.14365 -0.11141 -0.02427 0.11828 44 8D-2 0.20353 0.01645 -0.05515 -0.05857 0.06102 45 3 Cu 1S -0.00039 -0.00368 -0.00274 -0.00217 -0.00023 46 2S 0.05893 0.00676 0.02400 -0.04652 0.08655 47 3S 0.13812 -0.14622 0.01429 -0.16205 0.07534 48 4PX 0.00232 -0.00514 0.01141 -0.00092 0.01261 49 4PY 0.00718 -0.00461 -0.00896 -0.00719 -0.00152 50 4PZ -0.01391 -0.00539 0.00156 0.00502 0.00227 51 5PX -0.04900 0.03354 -0.01207 0.02291 -0.02951 52 5PY -0.01912 0.01519 -0.00522 0.04222 -0.03328 53 5PZ 0.03078 -0.03061 0.00038 -0.02633 0.01862 54 6PX -0.02168 -0.00947 0.00403 0.02201 0.00612 55 6PY 0.02355 -0.01092 -0.01376 0.00123 -0.02202 56 6PZ -0.02183 -0.01504 -0.00705 -0.00567 -0.00151 57 7D 0 0.07131 0.07542 -0.04531 0.02042 -0.13976 58 7D+1 -0.03863 0.01507 -0.03867 0.00888 0.04379 59 7D-1 -0.09197 -0.00348 0.10526 0.05164 0.07342 60 7D+2 -0.04536 -0.02551 0.10104 0.08323 0.02399 61 7D-2 0.01681 -0.11677 -0.03078 -0.00130 -0.10527 62 8D 0 0.02416 0.02547 -0.01628 0.00752 -0.04861 63 8D+1 -0.01530 0.00720 -0.01328 0.00318 0.01429 64 8D-1 -0.03325 -0.00080 0.03650 0.01839 0.02415 65 8D+2 -0.01300 -0.01098 0.03434 0.02934 0.00817 66 8D-2 0.00668 -0.04143 -0.00747 0.00050 -0.03557 67 4 Cu 1S 0.00065 -0.00361 -0.00265 0.00234 -0.00034 68 2S -0.06280 0.00984 0.02551 0.04477 0.08563 69 3S -0.13923 -0.13901 0.02258 0.16218 0.06857 70 4PX 0.00057 0.00791 -0.00742 -0.00144 -0.01128 71 4PY -0.00667 -0.00196 -0.01228 0.00724 -0.00579 72 4PZ 0.01482 -0.00363 -0.00210 -0.00522 -0.00202 73 5PX -0.04077 -0.02331 0.01234 0.02614 0.03040 74 5PY 0.00229 0.00299 -0.00180 -0.03391 -0.02300 75 5PZ -0.04789 -0.03873 0.00611 0.03478 0.02900 76 6PX -0.01805 0.01696 -0.00506 0.01669 0.00634 77 6PY -0.02846 -0.00409 -0.01294 0.00387 -0.02480 78 6PZ 0.01522 -0.01101 -0.00221 0.01330 -0.00215 79 7D 0 -0.08466 0.04974 -0.01760 -0.01523 -0.14651 80 7D+1 -0.01187 -0.07741 0.04242 0.00995 0.01221 81 7D-1 0.08880 0.01236 0.13488 -0.06087 0.09836 82 7D+2 0.03809 -0.08234 0.05316 -0.07035 -0.03488 83 7D-2 0.01627 0.07005 0.04318 -0.04379 0.06888 84 8D 0 -0.03042 0.01537 -0.00658 -0.00561 -0.05034 85 8D+1 -0.00731 -0.02877 0.01525 0.00369 0.00544 86 8D-1 0.03117 0.00391 0.04570 -0.02122 0.03286 87 8D+2 0.01151 -0.03008 0.01994 -0.02546 -0.01206 88 8D-2 0.00432 0.02388 0.01227 -0.01464 0.02339 89 5 Cu 1S -0.00271 -0.00037 -0.00158 0.00168 0.00183 90 2S 0.08121 0.09087 -0.02565 0.02087 0.01337 91 3S 0.07509 0.12098 -0.10280 0.10099 0.04869 92 4PX 0.01654 0.01565 0.00126 0.00615 -0.00448 93 4PY -0.00031 0.00314 -0.00720 0.00621 0.00497 94 4PZ 0.01410 0.00874 -0.01003 -0.00283 0.00096 95 5PX -0.04757 -0.04147 0.01113 -0.02423 -0.00343 96 5PY 0.00497 0.00137 0.01633 -0.01360 -0.02480 97 5PZ -0.03006 -0.03569 0.03954 -0.00680 0.00224 98 6PX 0.02580 -0.00216 0.02223 -0.01298 -0.01858 99 6PY 0.03306 0.01519 0.01807 0.01866 0.02593 100 6PZ 0.03134 -0.01445 -0.02234 -0.01351 -0.01971 101 7D 0 0.02089 -0.03304 -0.07704 -0.09888 0.02110 102 7D+1 0.12987 0.05981 -0.06903 0.00610 -0.06569 103 7D-1 0.00406 0.03737 -0.08511 0.02627 0.04462 104 7D+2 0.08253 0.05767 0.06673 0.00667 -0.09066 105 7D-2 0.01778 0.04178 -0.03294 0.08062 0.04164 106 8D 0 0.00873 -0.01048 -0.02875 -0.03574 0.00688 107 8D+1 0.04837 0.02082 -0.02550 0.00100 -0.02607 108 8D-1 -0.00049 0.01283 -0.03067 0.00663 0.01547 109 8D+2 0.03259 0.02008 0.02423 0.00150 -0.03119 110 8D-2 0.00499 0.01347 -0.00862 0.02833 0.01586 111 6 Cu 1S 0.00003 0.00151 -0.00370 0.00003 -0.00029 112 2S -0.00041 0.06826 0.08625 -0.00191 0.09266 113 3S -0.00143 0.13926 0.08595 0.00142 0.11508 114 4PX -0.00148 0.00102 -0.00005 0.00345 -0.00361 115 4PY -0.00049 0.00672 0.01403 0.00033 0.01897 116 4PZ -0.00045 -0.01050 -0.01209 0.00076 0.00047 117 5PX -0.00767 0.00383 0.00040 -0.00941 0.00801 118 5PY -0.00275 -0.04257 -0.04340 -0.00085 -0.05618 119 5PZ -0.00222 0.02023 0.03570 -0.00082 0.01045 120 6PX -0.00536 0.00945 -0.00817 0.01183 -0.01461 121 6PY -0.00157 -0.03053 0.04138 -0.00063 0.03881 122 6PZ -0.00064 -0.01150 0.00335 0.00109 0.02526 123 7D 0 -0.00067 0.05914 0.01927 0.00088 -0.09877 124 7D+1 -0.00917 -0.01615 -0.00972 0.00049 0.00674 125 7D-1 -0.00527 -0.04578 -0.08109 0.00754 -0.00093 126 7D+2 0.00917 -0.01384 -0.08123 -0.01157 -0.12241 127 7D-2 -0.01388 0.00439 -0.01496 0.03513 -0.04944 128 8D 0 -0.00084 0.02043 0.00622 0.00068 -0.03521 129 8D+1 -0.00456 -0.00573 -0.00353 0.00097 0.00224 130 8D-1 -0.00188 -0.01595 -0.02942 0.00281 -0.00063 131 8D+2 0.00271 -0.00575 -0.03054 -0.00413 -0.04415 132 8D-2 -0.00299 0.00119 -0.00582 0.01214 -0.01775 133 7 Cu 1S 0.00293 -0.00040 -0.00168 -0.00163 0.00171 134 2S -0.08090 0.09226 -0.02583 -0.02180 0.01277 135 3S -0.07123 0.11900 -0.09681 -0.09754 0.04072 136 4PX 0.01918 -0.01798 0.00497 0.00669 0.00207 137 4PY 0.00660 -0.00295 -0.00677 -0.00367 0.00607 138 4PZ -0.00785 0.00302 -0.00916 0.00537 0.00208 139 5PX -0.04975 0.04767 -0.02980 -0.02743 0.00962 140 5PY -0.02142 0.01644 0.01009 0.00406 -0.02332 141 5PZ 0.01244 -0.01966 0.03222 -0.00351 0.00485 142 6PX 0.04280 -0.00049 -0.02126 -0.00848 0.01677 143 6PY -0.01707 0.01557 0.01626 -0.02340 0.02803 144 6PZ -0.01797 -0.01273 -0.02218 0.01184 -0.01812 145 7D 0 0.04505 -0.05583 -0.00900 0.08436 0.04178 146 7D+1 0.07995 -0.01555 0.12571 -0.06174 0.00478 147 7D-1 0.02820 0.01441 -0.02765 -0.00698 0.02811 148 7D+2 -0.10782 0.08681 -0.01609 -0.05129 -0.04938 149 7D-2 -0.05827 0.00293 0.07555 0.06064 -0.10615 150 8D 0 0.01569 -0.01865 -0.00366 0.02963 0.01604 151 8D+1 0.02938 -0.00610 0.04688 -0.02368 0.00450 152 8D-1 0.01154 0.00507 -0.01057 -0.00049 0.01034 153 8D+2 -0.04041 0.02974 -0.00390 -0.01658 -0.01702 154 8D-2 -0.02474 0.00197 0.02499 0.02134 -0.03846 155 8 Cu 1S -0.00005 -0.00153 -0.00231 0.00000 -0.00117 156 2S 0.00252 0.05845 0.04864 -0.00067 -0.01790 157 3S 0.00944 0.04604 0.06080 -0.00693 -0.07878 158 4PX 0.00160 -0.00425 -0.00343 0.00044 0.00191 159 4PY 0.00128 0.01010 0.00753 0.00008 -0.00811 160 4PZ 0.00065 0.00841 0.00744 -0.00003 0.00119 161 5PX -0.00268 0.01008 0.00729 0.00033 -0.00977 162 5PY -0.00587 -0.02797 -0.02427 0.00077 0.03454 163 5PZ -0.00327 -0.01280 -0.00675 0.00182 0.00668 164 6PX 0.03222 -0.00294 -0.00677 0.00328 0.00127 165 6PY 0.00611 0.01076 -0.00463 0.00239 -0.01358 166 6PZ 0.00551 0.00017 0.02583 -0.00066 0.02228 167 7D 0 -0.00029 0.00185 0.01066 0.00101 0.05200 168 7D+1 0.00215 -0.02683 -0.02652 0.00391 -0.00039 169 7D-1 0.00681 0.06393 0.05783 0.00283 -0.01637 170 7D+2 -0.01466 -0.03424 -0.02697 -0.00435 0.05520 171 7D-2 0.01571 -0.03306 -0.02860 0.00625 0.03566 172 8D 0 -0.00003 0.00129 0.00319 0.00017 0.01770 173 8D+1 0.00053 -0.00971 -0.00954 0.00113 -0.00016 174 8D-1 0.00253 0.02265 0.02033 0.00092 -0.00658 175 8D+2 -0.00522 -0.01180 -0.01077 -0.00149 0.01773 176 8D-2 0.00582 -0.01168 -0.01085 0.00247 0.01206 177 9 C 1S 0.00005 0.01051 0.01214 -0.00032 -0.02848 178 2S 0.00003 -0.02511 -0.02139 0.00061 0.06173 179 3S -0.00096 -0.02443 -0.07309 0.00172 0.09713 180 4PX -0.03090 0.01144 0.01101 -0.01097 -0.02161 181 4PY -0.00554 -0.01852 -0.02746 -0.00121 0.08955 182 4PZ -0.00596 -0.04176 -0.03265 -0.00104 0.02697 183 5PX -0.03379 0.00320 0.00749 -0.01016 0.00042 184 5PY -0.00588 0.00840 -0.00569 -0.00170 0.01047 185 5PZ -0.00644 -0.02435 -0.03486 -0.00119 -0.01604 186 10 O 1S -0.00001 -0.00102 -0.00198 0.00004 0.00487 187 2S 0.00000 0.00427 0.00677 -0.00015 -0.01551 188 3S 0.00024 -0.00195 0.00442 -0.00009 -0.01441 189 4PX 0.09836 -0.01373 -0.01248 0.02754 0.01569 190 4PY 0.01754 -0.01747 0.00779 0.00482 -0.07762 191 4PZ 0.01890 0.08499 0.05937 0.00337 -0.00204 192 5PX 0.05966 -0.00649 -0.00623 0.01658 0.00428 193 5PY 0.01071 -0.01712 -0.00298 0.00305 -0.02845 194 5PZ 0.01150 0.04825 0.03639 0.00206 0.00925 46 47 48 49 50 O O O O O EIGENVALUES -- -0.31851 -0.30826 -0.30658 -0.30601 -0.30247 1 1 Cu 1S -0.00302 0.00022 0.00034 -0.00030 -0.00024 2 2S 0.01339 0.03286 0.05665 -0.06794 0.01177 3 3S -0.36246 0.08234 0.08395 -0.08977 0.01976 4 4PX 0.00106 -0.00792 0.01405 0.00928 0.00858 5 4PY 0.00868 0.02549 -0.00505 0.01725 0.00068 6 4PZ -0.01326 0.00197 0.00593 -0.00215 0.00281 7 5PX -0.01970 0.03360 -0.02900 -0.03046 0.00923 8 5PY 0.05360 -0.09192 -0.01024 -0.02195 0.00366 9 5PZ 0.06852 -0.02850 -0.04523 0.03705 -0.00629 10 6PX 0.00528 0.01241 0.10557 0.06585 0.11700 11 6PY 0.01503 0.04209 -0.00424 0.05279 0.02656 12 6PZ 0.05468 -0.06233 -0.02931 0.06206 0.01663 13 7D 0 -0.29863 -0.00298 -0.02046 0.30501 -0.02026 14 7D+1 0.06105 -0.03396 0.54325 0.20195 0.04621 15 7D-1 0.12230 0.23679 -0.12274 0.34531 0.06447 16 7D+2 -0.06993 0.51111 0.16696 -0.17467 -0.22353 17 7D-2 -0.05638 0.18760 -0.02678 -0.13103 0.58357 18 8D 0 -0.10028 -0.00092 -0.00636 0.10028 -0.00660 19 8D+1 0.02077 -0.01141 0.17965 0.06675 0.01466 20 8D-1 0.03856 0.07875 -0.04034 0.11274 0.02134 21 8D+2 -0.02373 0.16949 0.05680 -0.05794 -0.07364 22 8D-2 -0.01872 0.06249 -0.01071 -0.04501 0.19255 23 2 Cu 1S -0.00197 -0.00244 -0.00080 0.00053 0.00001 24 2S 0.16282 0.00240 -0.03744 0.04366 -0.00155 25 3S 0.29571 -0.14279 -0.15195 0.14921 -0.00794 26 4PX 0.00247 -0.00017 0.00126 0.00636 0.00703 27 4PY -0.01588 -0.00640 0.01313 -0.01590 0.00178 28 4PZ 0.00202 0.00473 0.00019 0.00268 0.00022 29 5PX -0.03135 0.02122 0.03517 -0.00964 0.00911 30 5PY 0.16754 -0.07619 -0.09776 0.10801 -0.00557 31 5PZ 0.00987 -0.05384 -0.01646 0.01275 0.00202 32 6PX -0.00451 -0.00008 -0.03394 -0.02852 0.03374 33 6PY 0.00412 0.00183 -0.00647 -0.00058 0.00760 34 6PZ -0.02348 0.01330 -0.02463 0.01929 0.00502 35 7D 0 0.39167 0.22825 -0.09919 0.14529 0.01672 36 7D+1 -0.06165 -0.07974 -0.01061 -0.08360 0.11129 37 7D-1 -0.28448 0.14173 -0.08158 0.18180 0.05592 38 7D+2 0.08409 0.04180 -0.10026 0.03216 -0.14625 39 7D-2 0.07531 -0.03324 0.12548 0.14508 0.28766 40 8D 0 0.12210 0.06886 -0.02986 0.04368 0.00547 41 8D+1 -0.01821 -0.02523 -0.00338 -0.02520 0.03463 42 8D-1 -0.09230 0.04732 -0.02449 0.05735 0.01766 43 8D+2 0.02786 0.01089 -0.03257 0.00897 -0.04598 44 8D-2 0.02475 -0.01221 0.04139 0.04718 0.09003 45 3 Cu 1S -0.00059 -0.00071 -0.00231 -0.00055 0.00077 46 2S 0.01087 0.04983 -0.06012 -0.03302 -0.00062 47 3S -0.05121 0.09837 -0.22382 -0.09053 -0.02890 48 4PX -0.00720 0.00236 -0.00808 0.00265 -0.00032 49 4PY 0.01799 0.00014 -0.00103 0.00925 -0.00351 50 4PZ 0.00023 -0.01037 0.00741 0.01208 0.00133 51 5PX 0.01842 -0.02310 0.06144 0.01982 0.01561 52 5PY -0.00376 0.01169 -0.01101 0.00472 0.00490 53 5PZ -0.01403 0.02853 -0.04852 -0.02334 0.00394 54 6PX -0.01815 -0.01442 -0.01242 0.02547 -0.00581 55 6PY 0.03744 0.00636 0.00881 -0.01567 0.00170 56 6PZ -0.00076 -0.01987 -0.03464 0.01156 0.00827 57 7D 0 0.02043 0.17104 -0.01791 -0.23966 -0.09067 58 7D+1 0.08077 -0.04824 0.09051 0.06311 0.01542 59 7D-1 -0.06537 0.02001 -0.01039 -0.13800 0.06386 60 7D+2 -0.19460 0.01483 -0.07956 0.09700 -0.07141 61 7D-2 0.22684 -0.01517 0.01061 0.11977 -0.04547 62 8D 0 0.00777 0.05794 -0.00473 -0.08148 -0.02898 63 8D+1 0.02948 -0.01689 0.03317 0.02103 0.00622 64 8D-1 -0.01790 0.00783 -0.00381 -0.04799 0.02327 65 8D+2 -0.06784 0.00352 -0.02923 0.03328 -0.02427 66 8D-2 0.07672 -0.00469 0.00403 0.03773 -0.01690 67 4 Cu 1S -0.00054 -0.00137 0.00092 0.00198 -0.00151 68 2S 0.01289 0.02885 0.05400 0.05960 -0.00138 69 3S -0.04404 0.03558 0.15257 0.21897 -0.00615 70 4PX 0.00006 0.00066 0.00841 -0.00682 0.00103 71 4PY 0.01909 0.00166 -0.00757 0.00045 0.00280 72 4PZ 0.00117 -0.00621 -0.01333 -0.00899 -0.00200 73 5PX -0.00875 -0.00015 0.01757 0.03381 0.01234 74 5PY -0.00718 0.01107 0.01145 0.03202 -0.00451 75 5PZ -0.01739 0.01270 0.04944 0.06283 -0.00811 76 6PX -0.00045 0.01170 0.01550 -0.01694 0.00340 77 6PY 0.04284 0.00791 0.02206 -0.01966 -0.00067 78 6PZ 0.00374 -0.01586 0.00736 0.02393 -0.01646 79 7D 0 -0.02867 0.11141 0.22640 0.06075 0.12197 80 7D+1 -0.06216 -0.04640 -0.16530 0.09335 -0.02757 81 7D-1 -0.18075 -0.01454 0.14607 0.01306 -0.05337 82 7D+2 0.01525 0.01945 -0.09909 0.06319 0.04205 83 7D-2 -0.24412 0.00597 -0.00401 0.05425 0.00919 84 8D 0 -0.01072 0.03766 0.07704 0.02109 0.04035 85 8D+1 -0.02477 -0.01630 -0.05606 0.03496 -0.00751 86 8D-1 -0.05830 -0.00468 0.05027 0.00588 -0.01968 87 8D+2 0.00514 0.00548 -0.03196 0.02137 0.01484 88 8D-2 -0.08462 0.00062 -0.00377 0.01961 0.00196 89 5 Cu 1S -0.00199 -0.00150 0.00477 -0.00022 -0.00046 90 2S 0.05854 0.05556 0.01304 -0.04035 -0.03585 91 3S 0.04470 0.02231 0.13471 -0.06904 -0.10152 92 4PX 0.00925 0.00762 0.00411 -0.00404 -0.00759 93 4PY 0.00324 -0.00909 -0.00473 0.00911 0.00218 94 4PZ 0.00512 0.00568 -0.00578 -0.00413 -0.00218 95 5PX -0.02272 -0.01452 -0.03631 0.02443 0.02794 96 5PY 0.01822 0.01230 0.02141 -0.00523 0.00179 97 5PZ -0.00131 -0.01149 -0.00580 0.01956 0.01592 98 6PX -0.00046 0.00349 -0.00890 -0.00592 -0.01515 99 6PY -0.00007 -0.03262 -0.03138 0.00127 0.00200 100 6PZ -0.00511 0.01311 -0.04420 -0.02292 -0.00806 101 7D 0 -0.02149 -0.01938 -0.07348 0.02385 0.05610 102 7D+1 0.04414 0.08261 -0.09886 -0.04373 -0.03239 103 7D-1 0.01201 -0.09797 0.03862 0.13302 0.06711 104 7D+2 0.03390 -0.00571 0.05650 0.04902 -0.14057 105 7D-2 0.03124 -0.13955 -0.11055 0.17116 0.12897 106 8D 0 -0.00867 -0.00730 -0.02402 0.00907 0.01835 107 8D+1 0.01581 0.03053 -0.03510 -0.01877 -0.01369 108 8D-1 0.00200 -0.03397 0.01341 0.04611 0.02189 109 8D+2 0.01007 -0.00337 0.01946 0.01695 -0.04897 110 8D-2 0.01037 -0.04810 -0.03802 0.05706 0.04148 111 6 Cu 1S 0.00180 -0.00080 -0.00170 0.00188 -0.00013 112 2S -0.05000 -0.06879 0.04569 -0.07169 0.01214 113 3S 0.03808 -0.18220 0.02921 -0.08946 0.02395 114 4PX 0.00326 -0.00382 0.00958 0.00407 -0.00744 115 4PY -0.01544 -0.00531 0.00515 -0.00453 -0.00069 116 4PZ -0.00108 0.01557 -0.00661 0.01485 -0.00375 117 5PX -0.00581 -0.00147 -0.00455 0.00092 0.02491 118 5PY 0.02677 0.04797 -0.01609 0.03042 -0.00006 119 5PZ 0.00752 -0.03359 0.01382 -0.02857 0.01084 120 6PX 0.01297 -0.02272 0.01275 0.02717 -0.02495 121 6PY -0.06937 0.04253 0.02686 -0.01726 -0.00406 122 6PZ 0.00924 0.03831 0.03254 -0.03165 -0.00013 123 7D 0 0.13709 -0.22470 0.02409 -0.15418 0.06501 124 7D+1 -0.01702 0.08436 -0.12435 -0.06240 0.11362 125 7D-1 0.02244 0.12760 -0.06960 0.14553 -0.02551 126 7D+2 0.17431 0.03621 -0.01293 -0.06090 0.03333 127 7D-2 0.06607 -0.04190 0.19415 0.08714 -0.12939 128 8D 0 0.04790 -0.07557 0.00728 -0.05277 0.02304 129 8D+1 -0.00512 0.02911 -0.04438 -0.02289 0.04128 130 8D-1 0.00766 0.04366 -0.02481 0.04978 -0.00836 131 8D+2 0.06457 0.01361 -0.00323 -0.02082 0.01163 132 8D-2 0.02453 -0.01386 0.06648 0.02897 -0.04535 133 7 Cu 1S -0.00194 -0.00045 -0.00104 -0.00456 0.00062 134 2S 0.05889 0.05206 0.04326 -0.00603 0.04639 135 3S 0.05327 0.06217 0.03470 -0.12404 0.12500 136 4PX -0.01099 -0.00565 -0.00187 -0.00149 -0.00786 137 4PY -0.00031 -0.01086 -0.01085 0.00460 -0.00661 138 4PZ 0.00161 0.00101 0.00521 0.00619 -0.00082 139 5PX 0.01549 0.01819 0.01844 -0.02359 0.03740 140 5PY 0.02651 0.02520 0.01115 -0.02921 0.01387 141 5PZ 0.00535 -0.00288 -0.01216 -0.00555 -0.00642 142 6PX -0.00150 0.00954 -0.01311 -0.02935 -0.01251 143 6PY 0.00853 -0.02923 -0.00704 0.01401 -0.01303 144 6PZ 0.00217 0.00768 0.02930 0.03251 0.00027 145 7D 0 -0.03823 -0.05137 -0.04249 -0.00004 -0.05660 146 7D+1 -0.01046 -0.01281 -0.05580 -0.08857 0.05560 147 7D-1 -0.00516 -0.02409 -0.11854 -0.10213 0.00019 148 7D+2 0.05587 -0.06447 -0.15723 0.06967 0.00067 149 7D-2 -0.00244 0.13938 0.12326 -0.04965 0.23003 150 8D 0 -0.01461 -0.01866 -0.01782 -0.00134 -0.02022 151 8D+1 -0.00315 -0.00565 -0.02102 -0.03076 0.01695 152 8D-1 -0.00382 -0.00877 -0.04278 -0.03523 -0.00082 153 8D+2 0.01744 -0.02293 -0.05281 0.02406 0.00392 154 8D-2 -0.00052 0.04777 0.04188 -0.01704 0.07756 155 8 Cu 1S -0.00080 0.00415 -0.00138 0.00256 -0.00041 156 2S 0.02656 -0.06379 0.02162 -0.03965 0.00123 157 3S 0.04712 0.04963 -0.02712 0.05879 -0.01815 158 4PX -0.00223 0.00555 0.00117 0.00290 -0.00688 159 4PY 0.00738 -0.01045 0.00137 -0.00347 -0.00237 160 4PZ 0.00252 -0.01288 0.00598 -0.00854 -0.00031 161 5PX 0.00388 -0.00175 -0.00471 0.00057 0.02182 162 5PY -0.02053 -0.01049 -0.00313 0.00034 0.00932 163 5PZ -0.00630 0.01171 -0.00677 0.00416 0.00575 164 6PX 0.00079 0.01069 -0.02679 -0.01234 -0.03803 165 6PY 0.00833 -0.04217 -0.01211 -0.00238 -0.00835 166 6PZ -0.02084 -0.00789 0.03024 -0.05011 -0.00011 167 7D 0 -0.02011 -0.05463 0.06089 -0.04996 -0.00382 168 7D+1 -0.01394 0.08101 0.01339 0.06926 -0.05524 169 7D-1 0.04422 -0.17175 0.08562 -0.11072 -0.02444 170 7D+2 -0.03806 0.06394 0.01601 -0.02777 0.08971 171 7D-2 -0.03098 0.08266 0.02776 0.00938 -0.10834 172 8D 0 -0.00639 -0.02168 0.02041 -0.01573 -0.00211 173 8D+1 -0.00474 0.02897 0.00603 0.02548 -0.02007 174 8D-1 0.01787 -0.06107 0.03174 -0.04018 -0.00907 175 8D+2 -0.01024 0.02032 0.00402 -0.00814 0.03244 176 8D-2 -0.00950 0.02847 0.00826 0.00355 -0.04045 177 9 C 1S -0.00435 0.00209 -0.00421 0.00561 0.00018 178 2S 0.00246 0.00110 0.01317 -0.01584 -0.00011 179 3S 0.06979 -0.04288 -0.01308 0.00679 -0.00293 180 4PX -0.00180 0.00429 -0.01444 -0.00595 -0.03167 181 4PY 0.01627 0.00559 0.00538 -0.00954 -0.00750 182 4PZ -0.00330 -0.02332 0.01671 -0.03053 -0.00286 183 5PX -0.00709 0.01060 -0.00631 -0.01343 -0.02153 184 5PY 0.02733 -0.02590 -0.01770 0.01145 -0.00565 185 5PZ 0.01598 -0.02430 -0.00629 -0.00157 -0.00404 186 10 O 1S 0.00149 0.00000 0.00071 -0.00090 -0.00002 187 2S -0.00482 0.00195 -0.00174 0.00264 0.00014 188 3S -0.00490 -0.00842 -0.00371 0.00281 -0.00017 189 4PX 0.00178 -0.00713 0.02349 0.01739 0.05646 190 4PY -0.02799 -0.01598 0.00722 -0.00375 0.01294 191 4PZ 0.01114 0.04271 -0.02344 0.04728 0.00497 192 5PX 0.00131 -0.00505 0.01408 0.01329 0.03375 193 5PY -0.01494 -0.00680 0.00849 -0.00631 0.00765 194 5PZ 0.00320 0.02543 -0.00945 0.02301 0.00346 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29886 -0.28982 -0.28830 -0.28700 -0.28374 1 1 Cu 1S -0.00318 0.00025 -0.00008 -0.00032 0.00003 2 2S -0.03279 0.00912 0.00015 -0.01868 -0.00382 3 3S -0.32704 -0.00860 0.00366 0.02409 0.01355 4 4PX 0.00132 -0.00020 0.00371 0.00012 0.00690 5 4PY -0.00143 0.00278 0.00025 -0.00938 0.00177 6 4PZ -0.00679 -0.00040 0.00095 0.00620 0.00221 7 5PX -0.01073 -0.00123 -0.01114 -0.00036 -0.07011 8 5PY -0.00237 0.00366 -0.00322 0.04496 -0.01821 9 5PZ 0.06342 0.00606 -0.00501 -0.02765 -0.02106 10 6PX 0.05315 0.01053 0.02252 0.02990 -0.00959 11 6PY -0.15353 0.03454 0.00845 -0.14663 -0.00388 12 6PZ -0.03945 -0.02747 0.00526 0.02317 0.00450 13 7D 0 -0.20211 -0.08252 0.00077 0.31283 0.05697 14 7D+1 0.04249 0.05487 -0.01063 -0.10834 0.04095 15 7D-1 0.08390 -0.05793 0.02343 -0.05100 0.01628 16 7D+2 0.00989 0.10081 -0.07299 -0.07996 -0.00055 17 7D-2 -0.00593 0.07212 0.14352 -0.03073 0.05411 18 8D 0 -0.06706 -0.02713 0.00006 0.09906 0.01903 19 8D+1 0.01409 0.01793 -0.00411 -0.03427 0.01487 20 8D-1 0.02636 -0.01955 0.00756 -0.01653 0.00537 21 8D+2 0.00231 0.03258 -0.02330 -0.02541 -0.00009 22 8D-2 -0.00198 0.02344 0.04606 -0.00969 0.01674 23 2 Cu 1S 0.00034 -0.00080 0.00005 -0.00089 0.00011 24 2S -0.02815 -0.00440 0.00069 -0.01309 -0.00143 25 3S -0.16154 -0.12323 0.00274 -0.14781 0.00469 26 4PX -0.00032 0.00043 0.00731 -0.00139 -0.01702 27 4PY 0.00053 0.00161 0.00146 0.00529 -0.00280 28 4PZ 0.00010 0.00097 0.00093 0.00436 -0.00207 29 5PX 0.00093 0.00004 -0.03705 0.00488 0.05159 30 5PY -0.01442 -0.03449 -0.00836 -0.03313 0.01229 31 5PZ 0.01030 0.01055 -0.00753 0.00428 0.00541 32 6PX 0.00072 0.00005 -0.01109 0.00745 -0.01176 33 6PY 0.00744 -0.01860 -0.00042 -0.03409 -0.00398 34 6PZ -0.02434 -0.00429 0.00034 -0.01529 -0.00236 35 7D 0 -0.02143 -0.11457 0.00523 0.11276 0.04897 36 7D+1 -0.00744 0.04138 -0.02502 -0.03705 0.10707 37 7D-1 -0.01485 0.09192 -0.01447 0.00438 0.01041 38 7D+2 -0.10184 0.12204 -0.02349 0.02387 0.04168 39 7D-2 -0.03925 0.03655 0.03080 0.01037 -0.13967 40 8D 0 -0.00693 -0.03179 0.00212 0.03327 0.01334 41 8D+1 -0.00194 0.01162 -0.00499 -0.01071 0.02932 42 8D-1 -0.00410 0.02699 -0.00368 0.00135 0.00248 43 8D+2 -0.02944 0.03454 -0.00765 0.00814 0.01321 44 8D-2 -0.01153 0.01040 0.01022 0.00352 -0.04243 45 3 Cu 1S 0.00153 -0.00003 -0.00180 0.00037 0.00088 46 2S 0.07410 0.01737 -0.03832 0.01594 0.04094 47 3S 0.06819 0.09056 -0.12035 0.06554 0.02028 48 4PX 0.00842 0.00424 -0.00651 -0.00369 -0.00307 49 4PY -0.00473 0.00643 0.00651 0.00480 0.00251 50 4PZ 0.00481 0.00130 -0.00238 -0.00486 -0.00731 51 5PX -0.04062 -0.02480 0.04039 0.00117 -0.00012 52 5PY 0.01196 -0.01116 -0.02427 -0.02185 0.00631 53 5PZ -0.00246 0.00916 0.00972 0.01526 0.01348 54 6PX -0.02639 0.00477 -0.00193 -0.05295 -0.01771 55 6PY 0.01795 0.01271 0.01729 0.04599 0.01058 56 6PZ 0.00858 0.01826 -0.02921 -0.02454 -0.04351 57 7D 0 -0.04391 -0.02920 0.25186 0.35025 0.10689 58 7D+1 0.36355 0.18369 0.06137 0.08496 0.18350 59 7D-1 -0.11412 0.13940 -0.11573 -0.06736 -0.29652 60 7D+2 0.10772 0.37021 0.14856 0.04483 -0.06518 61 7D-2 -0.16116 0.36151 0.17960 0.04507 -0.11469 62 8D 0 -0.01357 -0.00929 0.08367 0.11632 0.03339 63 8D+1 0.12282 0.05974 0.02001 0.02921 0.05965 64 8D-1 -0.04022 0.04736 -0.03779 -0.02322 -0.09921 65 8D+2 0.03676 0.12205 0.04984 0.01445 -0.02194 66 8D-2 -0.05545 0.12069 0.05951 0.01518 -0.03699 67 4 Cu 1S 0.00145 0.00025 0.00169 0.00034 -0.00072 68 2S 0.07105 0.02443 0.03661 0.01831 -0.05217 69 3S 0.05826 0.11013 0.09016 0.06627 -0.02140 70 4PX -0.00746 -0.00715 -0.00294 0.00383 -0.00431 71 4PY -0.00727 0.00284 -0.00912 0.00671 -0.00382 72 4PZ 0.00234 -0.00040 0.00034 -0.00428 0.00715 73 5PX 0.03039 0.02856 0.02675 -0.00012 0.00470 74 5PY 0.02362 0.00488 0.03243 -0.02272 -0.00040 75 5PZ 0.00757 0.01675 -0.00308 0.01742 -0.01733 76 6PX 0.00577 -0.01812 -0.00114 0.03749 -0.02810 77 6PY 0.02484 0.00505 -0.02466 0.06517 -0.01563 78 6PZ 0.01659 0.02086 0.02106 -0.00904 0.04123 79 7D 0 -0.21876 -0.13042 -0.18121 0.25678 0.05256 80 7D+1 -0.19071 0.02227 0.05161 -0.23045 0.20962 81 7D-1 -0.13985 0.05438 0.15528 -0.14836 0.28064 82 7D+2 0.05957 0.49615 -0.34522 0.10862 0.12720 83 7D-2 0.26985 -0.03137 0.00659 0.05383 -0.17983 84 8D 0 -0.07278 -0.04261 -0.06079 0.08478 0.01829 85 8D+1 -0.06484 0.00761 0.01693 -0.07693 0.06722 86 8D-1 -0.04856 0.01885 0.05045 -0.05039 0.09309 87 8D+2 0.01943 0.16438 -0.11470 0.03607 0.04220 88 8D-2 0.09275 -0.01196 0.00239 0.01778 -0.05840 89 5 Cu 1S 0.00329 -0.00101 0.00192 0.00093 -0.00022 90 2S 0.02558 0.01882 -0.00334 0.00392 0.05069 91 3S 0.09485 0.04536 0.04901 0.02505 0.08318 92 4PX -0.00226 0.00131 -0.00206 -0.00307 0.00142 93 4PY -0.00375 -0.00285 -0.00197 -0.00104 0.00131 94 4PZ 0.00617 0.00104 0.00119 0.00411 0.00882 95 5PX -0.00838 -0.00692 -0.00668 -0.00963 -0.02057 96 5PY 0.01384 0.00907 0.00673 -0.00431 0.01060 97 5PZ -0.03333 -0.00531 -0.00798 -0.00502 -0.02173 98 6PX -0.02328 -0.01686 -0.00367 0.01151 0.00104 99 6PY 0.00593 -0.01529 -0.00984 0.01121 -0.00042 100 6PZ -0.01690 -0.00007 -0.00716 -0.01817 0.00741 101 7D 0 0.10962 -0.09370 0.11343 0.24182 0.30696 102 7D+1 -0.03772 -0.04068 0.03852 0.04222 0.04876 103 7D-1 -0.08707 -0.02932 -0.10504 -0.16679 -0.04621 104 7D+2 -0.00824 -0.03273 -0.07194 -0.11442 -0.09291 105 7D-2 -0.03289 -0.01498 0.00715 0.05230 0.05685 106 8D 0 0.03793 -0.03272 0.03677 0.08037 0.10385 107 8D+1 -0.01338 -0.01500 0.01414 0.01404 0.01649 108 8D-1 -0.02932 -0.01190 -0.03612 -0.05657 -0.01425 109 8D+2 -0.00317 -0.01193 -0.02486 -0.03680 -0.03049 110 8D-2 -0.01039 -0.00477 0.00162 0.01800 0.01787 111 6 Cu 1S 0.00124 -0.00240 0.00018 -0.00146 0.00001 112 2S 0.07523 -0.06747 0.00612 -0.03089 0.00273 113 3S -0.02107 -0.15428 0.02663 -0.08172 -0.01788 114 4PX -0.00169 0.00234 0.00856 0.00063 0.00018 115 4PY 0.00503 -0.00698 0.00297 -0.00339 -0.00188 116 4PZ 0.00424 -0.00147 0.00226 -0.00083 -0.00237 117 5PX 0.00919 -0.01211 -0.00670 -0.00184 -0.00293 118 5PY -0.01906 0.04797 -0.00978 0.02421 0.00623 119 5PZ -0.02365 0.01483 -0.00292 -0.01544 0.00075 120 6PX -0.01456 0.00182 0.02988 -0.01563 0.00057 121 6PY 0.04921 0.01719 0.00210 0.03502 -0.00547 122 6PZ 0.02418 -0.01647 0.00918 0.04899 -0.01304 123 7D 0 0.08903 0.10570 0.05446 0.18209 -0.01258 124 7D+1 -0.12111 0.01986 0.18806 -0.01799 -0.30242 125 7D-1 0.37514 -0.13813 0.12978 -0.20133 -0.03434 126 7D+2 -0.04521 -0.02809 -0.22405 -0.00600 0.08140 127 7D-2 -0.10360 0.06980 0.45479 0.02927 -0.05321 128 8D 0 0.03183 0.03528 0.01879 0.06157 -0.00537 129 8D+1 -0.04190 0.00709 0.06402 -0.00665 -0.10316 130 8D-1 0.12881 -0.04710 0.04362 -0.06559 -0.01186 131 8D+2 -0.01644 -0.00933 -0.07500 -0.00228 0.02749 132 8D-2 -0.03593 0.02355 0.15133 0.00940 -0.01738 133 7 Cu 1S 0.00343 -0.00137 -0.00172 0.00084 0.00045 134 2S 0.02459 0.02022 0.00314 0.00780 -0.06124 135 3S 0.10421 0.04496 -0.04117 0.03524 -0.10280 136 4PX 0.00125 -0.00108 -0.00224 0.00142 0.00542 137 4PY -0.00302 -0.00291 0.00159 -0.00033 0.00048 138 4PZ 0.00656 0.00032 -0.00171 0.00593 -0.00890 139 5PX 0.01366 0.00536 -0.00311 0.01309 -0.02636 140 5PY 0.01713 0.01093 -0.00981 0.00111 -0.02158 141 5PZ -0.02868 -0.00249 0.00356 -0.00267 0.01826 142 6PX 0.02326 0.01738 -0.00923 -0.00796 0.00044 143 6PY 0.01662 -0.00307 0.00883 0.00869 0.00109 144 6PZ -0.00477 0.01038 0.00514 -0.01888 -0.01124 145 7D 0 0.11813 -0.06365 -0.05138 0.20116 -0.24217 146 7D+1 -0.01029 0.09365 0.05835 -0.15323 0.18939 147 7D-1 -0.06042 0.01934 0.11891 -0.23456 0.12553 148 7D+2 -0.03791 -0.04551 0.05246 -0.04515 -0.00792 149 7D-2 0.04200 -0.00751 0.01246 -0.04518 0.05619 150 8D 0 0.04107 -0.02115 -0.01545 0.06715 -0.08177 151 8D+1 -0.00342 0.03349 0.01936 -0.05026 0.06454 152 8D-1 -0.02042 0.00524 0.04095 -0.07898 0.04093 153 8D+2 -0.01259 -0.01633 0.01902 -0.01400 -0.00317 154 8D-2 0.01325 -0.00294 0.00378 -0.01438 0.01789 155 8 Cu 1S 0.00251 0.00067 -0.00014 0.00063 -0.00003 156 2S 0.05298 -0.02303 -0.00256 -0.01212 0.00874 157 3S 0.19174 -0.00507 -0.00964 0.01222 0.01755 158 4PX -0.00288 0.00064 -0.00431 0.00013 0.00243 159 4PY 0.00006 -0.00096 -0.00095 0.00042 0.00029 160 4PZ 0.01077 -0.00327 -0.00165 -0.00202 0.00322 161 5PX 0.01515 -0.00039 0.02276 -0.00190 -0.00257 162 5PY -0.00952 -0.00114 0.00501 0.00272 -0.00341 163 5PZ -0.04697 0.00890 0.00774 0.00983 -0.00819 164 6PX 0.00286 -0.00211 -0.01917 -0.00283 0.00766 165 6PY -0.04899 -0.00366 -0.00177 -0.00475 0.00271 166 6PZ 0.03522 0.00245 -0.00475 0.01588 0.00178 167 7D 0 0.12021 -0.02737 -0.05487 0.01446 0.11233 168 7D+1 -0.05498 -0.00343 -0.08800 -0.01817 0.06434 169 7D-1 -0.00877 0.03433 -0.02585 0.04173 0.03223 170 7D+2 0.00401 0.02695 0.04046 0.00179 -0.00803 171 7D-2 -0.00090 0.00548 -0.02659 -0.01629 0.01663 172 8D 0 0.04156 -0.01082 -0.01997 0.00461 0.03881 173 8D+1 -0.01900 -0.00147 -0.03307 -0.00625 0.02359 174 8D-1 -0.00358 0.01411 -0.00952 0.01445 0.01111 175 8D+2 0.00226 0.00947 0.01472 0.00000 -0.00262 176 8D-2 0.00013 0.00152 -0.00931 -0.00615 0.00352 177 9 C 1S 0.00299 -0.00197 0.00005 -0.00558 -0.00058 178 2S -0.00765 0.00386 -0.00008 0.01070 0.00125 179 3S -0.00318 0.01263 -0.00086 0.03393 0.00236 180 4PX 0.00197 -0.00205 -0.00633 -0.00331 0.01700 181 4PY -0.01037 0.00645 -0.00172 0.01877 0.00575 182 4PZ 0.00112 -0.00064 -0.00020 -0.00207 0.00120 183 5PX 0.00142 0.00312 0.00165 0.00249 -0.00171 184 5PY -0.00686 -0.00831 0.00017 -0.00305 0.00131 185 5PZ -0.00061 -0.00732 0.00026 -0.01041 -0.00004 186 10 O 1S -0.00060 0.00044 0.00000 0.00105 0.00006 187 2S 0.00265 0.00002 -0.00001 -0.00173 -0.00034 188 3S -0.00185 -0.00779 0.00009 -0.01045 0.00046 189 4PX -0.00164 0.00219 0.01251 0.00159 -0.02788 190 4PY 0.01071 -0.00428 0.00285 -0.01502 -0.00750 191 4PZ -0.00463 0.00222 0.00081 0.00881 -0.00177 192 5PX -0.00009 0.00100 0.00651 0.00027 -0.01256 193 5PY 0.00273 -0.00181 0.00141 -0.00716 -0.00325 194 5PZ -0.00393 0.00129 0.00052 0.00658 -0.00045 56 57 58 59 60 O O O O O EIGENVALUES -- -0.28210 -0.27848 -0.27508 -0.27454 -0.27079 1 1 Cu 1S 0.00092 0.00086 0.00110 0.00472 -0.00029 2 2S -0.01335 0.03533 0.00191 -0.00218 0.00158 3 3S 0.10025 0.01058 0.05454 0.25168 -0.01579 4 4PX -0.00320 0.01000 -0.02374 0.00883 -0.01138 5 4PY 0.00456 -0.03658 -0.00825 -0.01039 -0.00070 6 4PZ 0.00240 -0.00167 -0.00529 -0.00409 -0.00158 7 5PX 0.02592 -0.03899 0.08620 -0.03302 0.05977 8 5PY -0.02992 0.14099 0.03664 0.07165 0.00295 9 5PZ -0.03742 0.00956 0.00759 -0.03817 0.01181 10 6PX -0.01845 -0.01280 -0.07051 0.02289 0.07786 11 6PY -0.00866 0.07069 -0.00901 -0.01433 0.01072 12 6PZ 0.01263 -0.00218 -0.02939 -0.06852 0.01729 13 7D 0 0.12558 0.04388 0.04902 -0.26017 0.05240 14 7D+1 -0.01537 -0.12448 0.29412 -0.00615 0.08151 15 7D-1 -0.03569 0.40836 0.08598 0.12137 -0.00980 16 7D+2 0.16504 -0.03549 -0.02657 0.00470 0.00841 17 7D-2 0.06568 -0.08037 -0.10107 -0.01784 -0.05956 18 8D 0 0.04155 0.01193 0.01546 -0.08015 0.01627 19 8D+1 -0.00564 -0.03922 0.09160 -0.00256 0.02551 20 8D-1 -0.01142 0.13064 0.02771 0.03927 -0.00289 21 8D+2 0.05266 -0.01213 -0.00942 0.00054 0.00213 22 8D-2 0.02125 -0.02615 -0.02965 -0.00665 -0.01741 23 2 Cu 1S 0.00046 -0.00037 -0.00047 -0.00178 0.00011 24 2S -0.00483 -0.03135 0.00009 0.00465 0.00047 25 3S 0.02843 0.00443 -0.01817 -0.09138 0.00483 26 4PX 0.00252 -0.00368 0.01115 -0.00722 -0.01992 27 4PY 0.00271 0.01563 0.00680 0.01906 -0.00512 28 4PZ 0.00419 0.00592 0.00112 -0.00776 -0.00327 29 5PX -0.01290 0.01118 -0.10208 0.02825 0.08704 30 5PY 0.01960 -0.04526 -0.02695 -0.02373 0.01691 31 5PZ -0.02260 0.00039 -0.01040 0.04978 0.01245 32 6PX 0.00727 0.00590 0.02291 0.00512 -0.03082 33 6PY -0.00346 -0.00414 -0.00182 -0.02319 -0.00317 34 6PZ 0.00053 -0.00829 0.00051 -0.02092 -0.00447 35 7D 0 0.06501 0.00583 0.03626 0.12497 -0.00045 36 7D+1 -0.04413 0.01889 0.03214 0.01518 0.04448 37 7D-1 0.05206 -0.02844 -0.02290 -0.21923 -0.00761 38 7D+2 0.04478 0.09466 -0.01696 0.09145 0.04531 39 7D-2 0.03382 0.04626 0.10804 0.03695 -0.16174 40 8D 0 0.01722 0.00332 0.01047 0.03444 -0.00104 41 8D+1 -0.01174 0.00645 0.01051 0.00637 0.00932 42 8D-1 0.01540 -0.01152 -0.00777 -0.06920 -0.00292 43 8D+2 0.01307 0.03119 -0.00413 0.03111 0.01420 44 8D-2 0.01016 0.01555 0.03239 0.01309 -0.04906 45 3 Cu 1S 0.00009 0.00052 -0.00081 0.00138 -0.00112 46 2S -0.04711 0.00487 0.01291 -0.08300 0.00905 47 3S -0.05229 0.05502 0.00273 -0.06113 -0.06691 48 4PX -0.00072 0.00132 -0.00301 -0.00800 0.00204 49 4PY -0.00131 -0.00410 0.00103 0.00408 0.00542 50 4PZ 0.00569 0.00252 -0.00863 0.00422 0.00038 51 5PX 0.00551 -0.01121 0.00707 0.01740 0.00237 52 5PY 0.01696 0.00111 -0.02111 -0.02019 -0.02318 53 5PZ -0.03127 0.00448 0.02299 -0.02626 -0.01516 54 6PX 0.00775 -0.00961 0.01567 0.00733 0.01571 55 6PY -0.00419 0.00738 -0.00395 0.00145 -0.02293 56 6PZ 0.02258 0.00091 0.01772 -0.00665 -0.00164 57 7D 0 -0.01225 0.01646 0.16667 0.02162 -0.03763 58 7D+1 -0.26993 -0.05778 0.19150 -0.14298 -0.08151 59 7D-1 -0.10903 0.29965 0.13268 -0.25919 -0.18773 60 7D+2 0.09778 0.00128 0.03255 0.24271 -0.07129 61 7D-2 0.11557 -0.06486 -0.17224 -0.17457 -0.06196 62 8D 0 -0.00425 0.00636 0.05308 0.00726 -0.01302 63 8D+1 -0.08871 -0.01885 0.06205 -0.04745 -0.02745 64 8D-1 -0.03810 0.09728 0.04380 -0.08505 -0.06189 65 8D+2 0.03291 -0.00021 0.01221 0.08139 -0.02333 66 8D-2 0.03702 -0.01924 -0.05651 -0.05890 -0.01937 67 4 Cu 1S 0.00053 0.00041 0.00129 0.00111 0.00094 68 2S -0.03037 0.01138 -0.04394 -0.07525 0.00346 69 3S -0.05199 0.05621 -0.02066 -0.04374 0.07239 70 4PX 0.00052 -0.00023 -0.00383 0.00593 0.00195 71 4PY 0.00027 -0.00444 -0.00040 0.00561 -0.00556 72 4PZ 0.00340 0.00090 0.00945 0.00366 0.00029 73 5PX -0.00437 0.00832 0.00947 -0.00205 -0.00589 74 5PY 0.01376 0.00328 0.01426 -0.02476 0.02778 75 5PZ -0.02684 0.00984 -0.03127 -0.01996 0.01358 76 6PX -0.00311 0.00417 0.01678 -0.00520 0.00936 77 6PY 0.00108 0.00716 0.00901 0.00085 0.02948 78 6PZ 0.00110 0.00306 -0.01470 -0.00331 0.00509 79 7D 0 0.12212 0.01422 0.05527 0.16502 -0.03640 80 7D+1 0.21331 -0.10176 0.32719 0.06778 -0.14678 81 7D-1 -0.12788 0.29426 -0.08737 -0.02695 0.16130 82 7D+2 -0.02038 -0.01792 -0.00740 0.03059 0.14770 83 7D-2 0.02890 -0.04030 -0.02119 0.32624 -0.11744 84 8D 0 0.03987 0.00537 0.01916 0.05427 -0.01203 85 8D+1 0.07142 -0.03316 0.10598 0.02323 -0.04934 86 8D-1 -0.04394 0.09478 -0.02939 -0.00765 0.05282 87 8D+2 -0.00751 -0.00506 -0.00299 0.01020 0.04830 88 8D-2 0.01111 -0.01477 -0.00673 0.10936 -0.03792 89 5 Cu 1S 0.00073 0.00228 -0.00099 0.00096 -0.00177 90 2S -0.03347 -0.03507 0.05827 -0.01121 0.03034 91 3S -0.04699 0.03465 0.06795 0.01879 -0.07421 92 4PX -0.00049 -0.00528 0.00516 -0.00052 0.00288 93 4PY 0.00125 -0.00099 -0.00487 0.00390 0.00157 94 4PZ -0.00528 -0.00248 0.00406 -0.00025 0.00122 95 5PX 0.01004 -0.01038 -0.01532 -0.00654 0.01675 96 5PY -0.00654 0.00404 -0.01711 -0.00755 -0.00234 97 5PZ 0.01146 0.00410 -0.02236 -0.01515 0.00763 98 6PX 0.00829 -0.01043 -0.01474 -0.00014 0.01267 99 6PY 0.00572 -0.01279 0.00887 -0.00376 -0.00571 100 6PZ -0.00576 -0.00023 0.01536 0.00943 0.00165 101 7D 0 -0.12285 -0.09025 0.00126 -0.03204 0.11556 102 7D+1 0.02871 -0.02707 -0.15195 0.00098 0.10234 103 7D-1 0.08508 -0.01139 -0.20332 0.12532 0.28110 104 7D+2 0.02353 -0.29138 0.03701 -0.03669 0.13310 105 7D-2 -0.05734 -0.03935 -0.20900 -0.02789 -0.07356 106 8D 0 -0.04121 -0.03108 0.00007 -0.00966 0.03943 107 8D+1 0.00930 -0.00881 -0.05166 0.00097 0.03529 108 8D-1 0.02889 -0.00497 -0.06694 0.04251 0.09486 109 8D+2 0.00719 -0.09720 0.01223 -0.01080 0.04605 110 8D-2 -0.02030 -0.01339 -0.06856 -0.00967 -0.02334 111 6 Cu 1S 0.00082 -0.00366 -0.00020 -0.00006 -0.00008 112 2S 0.01160 0.06400 -0.01708 -0.09671 0.00727 113 3S -0.04101 -0.08200 -0.03159 -0.12685 0.00569 114 4PX 0.00453 0.00216 -0.00281 -0.00107 -0.00213 115 4PY -0.00843 0.00257 -0.00135 -0.00447 -0.00040 116 4PZ -0.01056 -0.01121 0.00033 0.00731 -0.00143 117 5PX -0.00904 -0.00661 0.00461 0.01455 0.01872 118 5PY 0.02642 0.01380 0.00421 0.01150 0.00558 119 5PZ 0.01133 0.01743 -0.00995 -0.06003 0.01057 120 6PX 0.02548 -0.00392 -0.00557 -0.00506 0.00938 121 6PY -0.03043 0.01865 0.00677 0.03466 0.00231 122 6PZ -0.06541 0.00691 -0.00331 -0.01109 0.00476 123 7D 0 0.44444 0.14703 0.10840 0.05059 0.15605 124 7D+1 -0.16551 -0.06676 0.24518 -0.04029 0.41927 125 7D-1 0.23322 0.11068 -0.01379 -0.17805 0.10598 126 7D+2 -0.02869 0.09029 -0.02831 -0.24777 -0.06371 127 7D-2 -0.03374 0.03206 -0.21641 -0.03350 -0.08636 128 8D 0 0.14724 0.04821 0.03594 0.01670 0.05152 129 8D+1 -0.05449 -0.02173 0.08101 -0.01367 0.13837 130 8D-1 0.07838 0.03500 -0.00425 -0.05831 0.03508 131 8D+2 -0.01050 0.02898 -0.01044 -0.08442 -0.02104 132 8D-2 -0.01172 0.01040 -0.07062 -0.01231 -0.02794 133 7 Cu 1S 0.00061 0.00192 0.00159 0.00058 0.00174 134 2S -0.01369 -0.02240 -0.06271 0.00572 -0.02960 135 3S -0.02855 0.03586 -0.05261 0.03711 0.07109 136 4PX -0.00013 0.00478 0.00418 -0.00162 0.00369 137 4PY 0.00205 -0.00014 0.00774 0.00058 -0.00085 138 4PZ -0.00205 -0.00010 -0.00259 -0.00007 -0.00029 139 5PX -0.00426 0.00771 -0.01887 0.02139 0.01342 140 5PY -0.00639 0.00421 0.00596 -0.01045 0.01047 141 5PZ 0.00258 0.00494 0.00941 -0.01642 -0.00026 142 6PX -0.00524 0.01356 -0.00420 0.00157 0.00959 143 6PY -0.00274 -0.01254 -0.01487 -0.00451 0.00923 144 6PZ -0.01095 0.00461 -0.01303 0.01052 -0.00058 145 7D 0 -0.03436 -0.08032 -0.13901 -0.02523 -0.04242 146 7D+1 -0.05030 -0.00699 -0.14267 0.05408 0.19721 147 7D-1 0.07123 -0.03421 0.09059 0.04976 -0.26849 148 7D+2 0.00588 -0.25826 0.11985 -0.11523 -0.12501 149 7D-2 -0.00040 -0.10873 -0.20421 0.06596 -0.06757 150 8D 0 -0.01090 -0.02755 -0.04645 -0.00797 -0.01443 151 8D+1 -0.01739 -0.00170 -0.04856 0.01758 0.06690 152 8D-1 0.02499 -0.01226 0.02962 0.01720 -0.09034 153 8D+2 0.00112 -0.08615 0.03993 -0.03747 -0.04450 154 8D-2 0.00003 -0.03597 -0.06642 0.02231 -0.02260 155 8 Cu 1S 0.00125 -0.00433 -0.00006 -0.00037 0.00007 156 2S 0.03755 0.11427 -0.00143 -0.01865 0.00084 157 3S 0.07344 -0.06511 -0.00750 -0.02050 0.00671 158 4PX -0.00271 -0.00535 -0.00394 0.00048 -0.00404 159 4PY -0.00291 0.01382 -0.00003 0.00383 -0.00146 160 4PZ 0.01099 0.00859 -0.00154 -0.00479 -0.00053 161 5PX 0.01090 -0.00210 0.00602 -0.00047 0.01149 162 5PY -0.00879 0.00959 0.00476 0.01711 0.00062 163 5PZ -0.02519 0.00217 -0.00001 -0.00810 0.00278 164 6PX -0.00259 -0.00665 0.00699 -0.00709 -0.02787 165 6PY 0.01126 0.00581 0.00298 0.00945 -0.00848 166 6PZ 0.00528 0.00636 0.00497 0.01972 -0.00610 167 7D 0 0.34740 0.00679 -0.08045 -0.22289 -0.07382 168 7D+1 -0.15371 -0.07459 -0.08263 0.02941 -0.21819 169 7D-1 0.01936 0.06158 -0.03596 0.06448 -0.08949 170 7D+2 0.11889 -0.18684 0.04563 -0.15352 0.11425 171 7D-2 0.04337 -0.12353 -0.12850 -0.06487 -0.06197 172 8D 0 0.11722 0.00268 -0.02727 -0.07428 -0.02600 173 8D+1 -0.05299 -0.02487 -0.02862 0.00918 -0.07606 174 8D-1 0.00627 0.01910 -0.01236 0.02196 -0.03090 175 8D+2 0.03870 -0.06293 0.01544 -0.05134 0.03905 176 8D-2 0.01427 -0.04130 -0.04317 -0.02208 -0.02078 177 9 C 1S -0.00395 -0.00815 -0.00413 -0.01792 0.00139 178 2S 0.00776 0.01911 0.00800 0.03372 -0.00261 179 3S 0.02103 0.02261 0.02379 0.11061 -0.00877 180 4PX -0.00497 -0.00611 -0.01942 -0.00695 0.02709 181 4PY 0.01409 0.02336 0.00680 0.04207 0.00140 182 4PZ -0.00649 0.00773 0.00364 0.03184 0.00271 183 5PX -0.00214 -0.00218 0.00893 -0.00542 0.00493 184 5PY 0.00927 0.00854 0.00388 0.00963 -0.00002 185 5PZ 0.00476 -0.00346 0.00317 0.00854 0.00015 186 10 O 1S 0.00050 0.00168 0.00085 0.00363 -0.00027 187 2S -0.00225 -0.00594 -0.00232 -0.00980 0.00073 188 3S 0.00159 -0.00172 -0.00422 -0.01887 0.00143 189 4PX 0.00578 0.00472 0.02522 0.00192 -0.03929 190 4PY -0.01140 -0.01783 -0.00210 -0.02651 -0.00491 191 4PZ 0.01196 -0.00354 -0.00287 -0.03560 -0.00485 192 5PX 0.00236 0.00158 0.00938 0.00120 -0.02111 193 5PY -0.00462 -0.00628 -0.00084 -0.01024 -0.00293 194 5PZ 0.00597 0.00184 -0.00193 -0.01841 -0.00262 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26935 -0.26758 -0.26505 -0.26471 -0.26341 1 1 Cu 1S 0.00012 0.00014 -0.00040 -0.00054 -0.00197 2 2S -0.03026 -0.00164 0.02227 0.05041 -0.05224 3 3S -0.02719 0.01397 -0.05570 -0.07865 -0.09446 4 4PX -0.00398 -0.01890 -0.00956 0.00477 -0.00211 5 4PY 0.01642 -0.00427 0.00213 0.00726 -0.00294 6 4PZ 0.00265 -0.00272 -0.00607 -0.00985 0.01564 7 5PX 0.01838 0.09625 0.07747 -0.03185 0.01186 8 5PY -0.06453 0.02425 -0.02204 -0.06146 -0.00131 9 5PZ -0.02270 0.01425 0.03406 0.04301 -0.06750 10 6PX 0.03636 0.16366 0.08015 0.01810 -0.00657 11 6PY -0.11213 0.02877 -0.04985 -0.11060 0.09635 12 6PZ -0.02883 0.02437 0.02162 0.02161 -0.03238 13 7D 0 -0.06362 0.04726 0.05046 0.09781 -0.12632 14 7D+1 0.01723 0.18477 0.05278 -0.05231 0.05924 15 7D-1 -0.04510 0.05450 0.04568 0.00031 -0.06832 16 7D+2 -0.07957 -0.05948 -0.04648 0.05216 0.01261 17 7D-2 -0.01545 0.04424 0.10210 -0.05168 0.01003 18 8D 0 -0.02049 0.01441 0.01581 0.02999 -0.04110 19 8D+1 0.00524 0.05660 0.01780 -0.01712 0.01888 20 8D-1 -0.01403 0.01728 0.01417 -0.00076 -0.02113 21 8D+2 -0.02624 -0.01909 -0.01544 0.01524 0.00442 22 8D-2 -0.00546 0.01543 0.03164 -0.01613 0.00329 23 2 Cu 1S -0.00015 -0.00003 -0.00017 -0.00034 0.00134 24 2S 0.04064 -0.00075 0.01023 0.01540 -0.00751 25 3S 0.00661 0.00060 -0.05252 -0.09569 0.06457 26 4PX 0.00321 -0.01034 0.01415 -0.00757 -0.00163 27 4PY 0.00440 -0.00168 0.00542 0.00219 0.00238 28 4PZ -0.02094 -0.00130 -0.00466 -0.01201 -0.00305 29 5PX -0.01557 0.06843 -0.06158 0.04045 0.00595 30 5PY -0.01643 0.01394 -0.03571 -0.03141 -0.00826 31 5PZ 0.10271 0.01085 0.01587 0.04374 0.01884 32 6PX 0.00143 0.01637 0.00166 -0.01046 -0.01015 33 6PY -0.01316 0.00400 -0.00371 -0.00896 0.00079 34 6PZ 0.00300 0.00068 -0.00058 -0.00129 0.00614 35 7D 0 -0.04044 0.02457 -0.00419 -0.03948 0.03401 36 7D+1 0.03972 0.05368 0.03897 0.01957 -0.02511 37 7D-1 -0.16971 0.00153 -0.02142 -0.06186 0.00550 38 7D+2 -0.01045 0.00626 -0.01576 0.05784 -0.01812 39 7D-2 0.02831 -0.04470 0.09984 -0.03218 -0.02775 40 8D 0 -0.01043 0.00680 -0.00094 -0.01119 0.00930 41 8D+1 0.01159 0.01513 0.01193 0.00533 -0.00739 42 8D-1 -0.05242 0.00005 -0.00660 -0.01933 0.00108 43 8D+2 -0.00430 0.00270 -0.00560 0.01709 -0.00605 44 8D-2 0.00829 -0.01435 0.03134 -0.01072 -0.00853 45 3 Cu 1S 0.00009 -0.00032 0.00059 0.00004 -0.00026 46 2S -0.02807 0.01292 -0.00799 0.01350 0.01067 47 3S 0.04193 0.02099 -0.04732 0.01931 -0.01636 48 4PX 0.00160 0.00750 -0.00544 -0.00389 -0.00083 49 4PY -0.00064 -0.00450 -0.00091 -0.00396 -0.00620 50 4PZ 0.00390 0.00096 0.00478 -0.00367 -0.00357 51 5PX -0.02245 -0.04138 0.02895 0.00532 0.01890 52 5PY 0.00863 0.02808 -0.01134 0.00645 0.01004 53 5PZ -0.01713 -0.01944 -0.03189 0.01624 0.01770 54 6PX -0.02376 -0.04685 -0.01182 -0.00929 0.02660 55 6PY 0.01012 0.02778 -0.00228 0.00543 -0.01226 56 6PZ -0.00721 -0.03528 -0.03027 0.01139 0.00839 57 7D 0 0.20557 0.11313 0.13258 0.04403 -0.14048 58 7D+1 -0.01041 -0.02453 -0.25033 0.07450 -0.06617 59 7D-1 0.13674 0.00004 -0.12811 -0.03736 -0.10451 60 7D+2 0.02477 -0.26447 0.34224 -0.10267 0.11518 61 7D-2 -0.03296 0.16103 -0.20519 0.03798 -0.07378 62 8D 0 0.06751 0.03690 0.04203 0.01341 -0.04470 63 8D+1 -0.00227 -0.00957 -0.07997 0.02485 -0.02230 64 8D-1 0.04702 -0.00060 -0.04083 -0.01149 -0.03277 65 8D+2 0.00898 -0.08607 0.10943 -0.03333 0.03518 66 8D-2 -0.01106 0.05232 -0.06659 0.01267 -0.02237 67 4 Cu 1S 0.00012 0.00023 -0.00027 0.00062 -0.00037 68 2S -0.02774 -0.01430 0.01326 -0.00132 0.00972 69 3S 0.03585 -0.02586 0.04038 -0.02671 -0.01945 70 4PX -0.00223 0.00513 0.00476 0.00602 0.00404 71 4PY -0.00033 0.00714 -0.00220 0.00026 -0.00553 72 4PZ 0.00287 0.00108 -0.00476 0.00501 -0.00162 73 5PX 0.02005 -0.03336 -0.01154 -0.01573 -0.02420 74 5PY 0.01049 -0.04316 0.00844 -0.01621 0.00356 75 5PZ -0.00797 0.00694 0.03250 -0.02740 0.00342 76 6PX 0.01479 -0.04442 -0.01789 0.01071 -0.01804 77 6PY 0.01041 -0.04225 0.00162 0.00769 -0.01444 78 6PZ 0.00301 0.01741 0.02813 -0.01049 -0.00508 79 7D 0 0.15322 -0.09760 -0.15427 0.22637 -0.01617 80 7D+1 -0.13924 0.09775 -0.14654 0.12701 0.19709 81 7D-1 0.12634 0.09655 -0.08965 0.03549 -0.00332 82 7D+2 0.03093 0.07799 -0.03036 0.02375 -0.00068 83 7D-2 0.02513 0.29505 -0.16972 0.27689 0.17518 84 8D 0 0.04953 -0.03245 -0.04995 0.07123 -0.00463 85 8D+1 -0.04705 0.03069 -0.04748 0.04029 0.06319 86 8D-1 0.04327 0.03149 -0.02856 0.01160 -0.00073 87 8D+2 0.01130 0.02594 -0.00921 0.00740 -0.00095 88 8D-2 0.00849 0.09621 -0.05525 0.08904 0.05404 89 5 Cu 1S -0.00078 -0.00164 -0.00023 -0.00085 -0.00020 90 2S 0.00722 0.02241 0.01443 0.05556 -0.01963 91 3S -0.05701 -0.12323 0.00503 0.02231 -0.00741 92 4PX 0.00071 0.00364 0.00265 0.00460 -0.00243 93 4PY 0.00148 0.00057 0.00026 -0.00093 0.00064 94 4PZ -0.00019 -0.00120 0.00111 0.00536 -0.00204 95 5PX 0.02023 0.02270 0.00284 -0.00911 0.00259 96 5PY 0.01451 -0.00617 -0.01783 0.01315 -0.00112 97 5PZ 0.00061 0.01386 -0.02210 -0.01719 0.02138 98 6PX 0.01898 0.02365 -0.00345 0.00378 -0.01653 99 6PY 0.02159 -0.02566 0.00074 0.01325 -0.00894 100 6PZ -0.00015 -0.01983 -0.02455 -0.02092 0.02567 101 7D 0 -0.27825 -0.14481 -0.02924 -0.11535 -0.03143 102 7D+1 0.15089 0.24774 -0.26503 -0.29651 0.28895 103 7D-1 -0.16602 0.09049 0.04102 -0.10396 -0.18355 104 7D+2 0.06966 -0.24823 0.01873 0.12653 -0.19051 105 7D-2 0.30995 -0.28649 -0.16635 0.25672 0.14725 106 8D 0 -0.09255 -0.04769 -0.00825 -0.03816 -0.00974 107 8D+1 0.05086 0.08259 -0.08733 -0.09723 0.09489 108 8D-1 -0.05573 0.02922 0.01400 -0.03410 -0.05932 109 8D+2 0.02189 -0.08221 0.00544 0.04157 -0.06232 110 8D-2 0.10194 -0.09527 -0.05571 0.08449 0.04955 111 6 Cu 1S 0.00087 0.00001 0.00044 0.00076 -0.00141 112 2S -0.03702 -0.00132 0.01005 0.01467 0.03856 113 3S -0.06015 -0.00295 0.06330 0.09648 0.05566 114 4PX 0.00202 -0.00388 0.00438 -0.00351 -0.00226 115 4PY -0.00765 -0.00050 0.00371 0.00291 0.01063 116 4PZ -0.00290 -0.00031 0.00096 -0.00047 0.00011 117 5PX -0.01383 -0.00540 -0.01839 0.01896 0.00935 118 5PY 0.03906 -0.00036 -0.03294 -0.03830 -0.04443 119 5PZ 0.02813 -0.00312 0.00009 0.00851 0.00176 120 6PX -0.01542 -0.01603 -0.00469 0.00104 0.00964 121 6PY 0.04384 0.00086 -0.00856 -0.00612 -0.03707 122 6PZ 0.02470 -0.00137 0.00488 0.01476 -0.00819 123 7D 0 -0.06854 -0.04783 -0.06428 0.05745 -0.08316 124 7D+1 -0.09089 -0.11196 -0.10801 0.15541 0.15093 125 7D-1 0.15984 -0.04218 0.00346 0.10262 0.00909 126 7D+2 -0.22375 0.01297 0.28258 0.32911 0.35864 127 7D-2 -0.11547 0.00021 0.07458 0.11817 0.13263 128 8D 0 -0.02229 -0.01603 -0.02126 0.01872 -0.02570 129 8D+1 -0.02998 -0.03843 -0.03649 0.05103 0.04879 130 8D-1 0.05257 -0.01407 0.00069 0.03343 0.00259 131 8D+2 -0.07321 0.00443 0.09151 0.10622 0.11674 132 8D-2 -0.03789 0.00051 0.02469 0.03767 0.04333 133 7 Cu 1S -0.00082 0.00187 -0.00042 -0.00040 -0.00002 134 2S 0.00878 -0.02632 0.03636 0.03680 -0.02041 135 3S -0.04907 0.11814 0.02371 0.04224 0.00806 136 4PX -0.00140 0.00335 -0.00291 -0.00481 0.00195 137 4PY 0.00122 0.00119 -0.00137 -0.00206 0.00150 138 4PZ -0.00030 0.00243 0.00307 0.00179 -0.00102 139 5PX -0.02092 0.02228 0.00164 0.01802 -0.00241 140 5PY 0.00740 0.01111 0.02221 -0.00197 -0.00284 141 5PZ -0.00717 -0.00457 0.00044 -0.02506 0.01580 142 6PX -0.02379 0.00628 -0.00716 0.00603 0.01165 143 6PY 0.01707 0.02680 0.01528 0.02007 0.00196 144 6PZ -0.00361 0.02702 0.00204 -0.02218 0.02979 145 7D 0 -0.24199 0.28618 0.01157 0.17714 -0.15336 146 7D+1 0.15476 0.19466 0.22556 0.35529 -0.15703 147 7D-1 -0.22064 -0.05286 -0.16875 0.13485 -0.26322 148 7D+2 0.22488 0.25183 0.19830 -0.06086 -0.08832 149 7D-2 -0.11779 -0.05414 -0.16686 0.00045 -0.12026 150 8D 0 -0.08093 0.09491 0.00304 0.05896 -0.04973 151 8D+1 0.05061 0.06502 0.07467 0.11594 -0.05193 152 8D-1 -0.07385 -0.01669 -0.05571 0.04476 -0.08585 153 8D+2 0.07336 0.08382 0.06575 -0.02105 -0.02865 154 8D-2 -0.03891 -0.01854 -0.05518 0.00047 -0.04022 155 8 Cu 1S 0.00094 0.00020 0.00061 0.00053 0.00014 156 2S -0.02147 -0.00440 0.00932 0.02350 -0.02789 157 3S 0.08608 -0.00433 0.05307 0.07882 -0.01524 158 4PX 0.00074 -0.00138 0.00025 -0.00106 0.00109 159 4PY -0.00466 -0.00083 0.00129 0.00301 -0.00283 160 4PZ 0.00131 -0.00061 0.00021 0.00005 -0.00107 161 5PX 0.00383 -0.00940 -0.00622 0.01132 -0.00060 162 5PY -0.01088 0.00103 -0.01705 -0.02005 -0.00675 163 5PZ -0.00459 -0.00040 -0.00597 -0.00603 0.00898 164 6PX 0.00420 -0.02410 -0.00399 -0.00336 0.00095 165 6PY -0.02907 -0.00610 -0.00149 -0.00109 -0.00240 166 6PZ 0.01436 -0.00101 0.00103 0.00333 -0.01110 167 7D 0 0.10979 0.01281 0.03779 -0.07087 -0.01065 168 7D+1 0.00342 0.04879 0.15414 -0.05469 -0.01478 169 7D-1 -0.13314 -0.00754 0.02860 -0.03395 0.25227 170 7D+2 0.04267 0.05991 0.02964 -0.01404 0.18987 171 7D-2 0.05387 -0.13756 -0.09407 0.03878 0.04357 172 8D 0 0.03691 0.00490 0.01282 -0.02452 -0.00430 173 8D+1 0.00171 0.01770 0.05293 -0.01904 -0.00466 174 8D-1 -0.04666 -0.00200 0.01090 -0.01064 0.08504 175 8D+2 0.01395 0.01933 0.00903 -0.00424 0.06448 176 8D-2 0.01837 -0.04508 -0.03069 0.01201 0.01471 177 9 C 1S -0.00366 -0.00020 -0.00187 -0.00202 -0.00021 178 2S 0.00629 0.00027 0.00399 0.00440 0.00174 179 3S 0.02906 0.00179 0.00982 0.01072 -0.00797 180 4PX -0.00481 0.00775 -0.01989 0.00899 0.00267 181 4PY -0.00273 0.00219 -0.00175 0.00241 0.00099 182 4PZ 0.02952 0.00096 0.00638 0.01538 0.00178 183 5PX -0.00119 -0.00329 0.00145 0.00268 0.00007 184 5PY 0.00627 -0.00004 -0.00298 -0.00682 0.00680 185 5PZ 0.00038 0.00006 -0.00353 -0.00652 -0.00254 186 10 O 1S 0.00088 0.00004 0.00054 0.00069 -0.00023 187 2S -0.00247 -0.00014 -0.00100 -0.00093 -0.00042 188 3S -0.00454 -0.00006 -0.00501 -0.00803 0.00579 189 4PX 0.00586 -0.01339 0.02619 -0.01271 -0.00363 190 4PY 0.00848 -0.00318 0.00511 -0.00052 0.00066 191 4PZ -0.04045 -0.00172 -0.00837 -0.02068 -0.00280 192 5PX 0.00277 -0.00718 0.01272 -0.00664 -0.00228 193 5PY 0.00454 -0.00169 0.00285 0.00006 0.00040 194 5PZ -0.01974 -0.00106 -0.00343 -0.00918 0.00034 66 67 68 69 70 O O O O O EIGENVALUES -- -0.26108 -0.25980 -0.25884 -0.25651 -0.25634 1 1 Cu 1S 0.00030 0.00142 0.00049 -0.00197 0.00053 2 2S 0.00019 -0.02890 -0.01166 0.03492 -0.00506 3 3S 0.01987 0.09844 0.03538 -0.12434 0.04234 4 4PX -0.00713 0.00083 -0.00281 -0.00163 0.00276 5 4PY -0.00207 0.00032 -0.00079 0.00712 -0.00133 6 4PZ -0.00173 0.00181 0.00031 -0.00088 -0.00026 7 5PX 0.04483 0.00711 0.00530 -0.00078 -0.01296 8 5PY 0.00571 -0.03848 -0.01026 -0.00846 0.00089 9 5PZ 0.00801 -0.01531 -0.00481 0.00219 0.00077 10 6PX -0.03603 0.02822 -0.00632 -0.07138 0.02372 11 6PY -0.00572 -0.05819 -0.02337 0.23680 -0.05039 12 6PZ -0.00862 -0.01691 -0.01030 0.05063 -0.01196 13 7D 0 0.03546 0.00201 -0.03557 0.06219 0.08204 14 7D+1 0.11820 0.00668 -0.10344 0.06144 0.19540 15 7D-1 0.08109 0.09372 -0.01628 -0.05890 0.04245 16 7D+2 -0.10444 0.01398 0.05275 0.00974 0.01090 17 7D-2 0.18534 -0.00029 -0.07652 -0.01443 -0.10953 18 8D 0 0.01103 0.00054 -0.01084 0.01816 0.02528 19 8D+1 0.03613 0.00166 -0.03160 0.01949 0.05904 20 8D-1 0.02551 0.02910 -0.00493 -0.01769 0.01294 21 8D+2 -0.03296 0.00292 0.01567 0.00468 0.00296 22 8D-2 0.05875 -0.00068 -0.02393 -0.00385 -0.03331 23 2 Cu 1S -0.00025 -0.00062 -0.00022 0.00134 -0.00030 24 2S -0.00142 -0.00596 -0.00375 0.02788 -0.00701 25 3S -0.01153 -0.05838 -0.01830 0.11311 -0.02338 26 4PX 0.00783 -0.00285 -0.00182 0.00076 -0.01102 27 4PY 0.00271 0.00928 0.00329 -0.01151 0.00072 28 4PZ 0.00264 0.00205 0.00122 -0.01560 0.00179 29 5PX -0.04016 0.01009 -0.00482 0.00795 0.05471 30 5PY -0.01206 -0.02035 -0.00746 0.01559 0.00749 31 5PZ -0.01135 0.00581 -0.00122 0.03917 0.00082 32 6PX -0.00251 -0.00213 0.01476 -0.00383 0.00472 33 6PY -0.00223 -0.01438 -0.00274 0.02238 -0.00466 34 6PZ -0.00063 -0.01478 -0.00135 0.01214 -0.00173 35 7D 0 0.00419 0.04698 0.02897 0.03592 -0.06482 36 7D+1 0.00794 0.00523 0.05238 -0.10542 -0.14591 37 7D-1 -0.02733 -0.14546 -0.03214 -0.01332 -0.02514 38 7D+2 0.04551 0.04520 0.00608 -0.20649 0.07085 39 7D-2 -0.07461 0.03846 0.03154 -0.08071 0.04154 40 8D 0 0.00145 0.01317 0.00939 0.00624 -0.01750 41 8D+1 0.00295 0.00144 0.01813 -0.02974 -0.04155 42 8D-1 -0.00813 -0.04571 -0.01017 -0.00270 -0.00774 43 8D+2 0.01354 0.01420 0.00206 -0.06289 0.02159 44 8D-2 -0.02140 0.01253 0.00824 -0.02558 0.01077 45 3 Cu 1S 0.00158 -0.00009 -0.00093 -0.00122 -0.00073 46 2S -0.00576 -0.01629 0.01186 0.01259 -0.01939 47 3S 0.07765 -0.00426 -0.04366 -0.07023 -0.03490 48 4PX 0.00188 -0.00052 -0.00292 0.00578 -0.00222 49 4PY -0.00646 0.00940 -0.00467 0.00010 0.00483 50 4PZ 0.00427 0.00264 -0.00193 0.00459 -0.00024 51 5PX -0.01715 0.00989 0.01777 -0.02167 0.00662 52 5PY 0.02014 -0.05571 0.02507 0.01065 -0.00890 53 5PZ -0.01151 -0.00474 0.00227 -0.04213 0.00375 54 6PX -0.00358 0.00243 0.01839 0.02108 -0.00182 55 6PY 0.02024 -0.02750 0.02736 -0.03432 0.01449 56 6PZ 0.00562 0.00328 0.01470 0.01157 -0.00805 57 7D 0 0.00262 0.08698 -0.13859 0.21691 -0.02066 58 7D+1 -0.12673 0.00962 -0.03229 0.11278 0.02030 59 7D-1 -0.16445 0.35910 -0.24865 -0.03235 -0.05473 60 7D+2 0.00688 0.13913 0.06246 0.09133 0.18514 61 7D-2 0.10050 -0.16348 0.09451 -0.08232 -0.24087 62 8D 0 0.00093 0.02729 -0.04433 0.06941 -0.00560 63 8D+1 -0.04183 0.00257 -0.00879 0.03701 0.00601 64 8D-1 -0.05360 0.11427 -0.07869 -0.00978 -0.01529 65 8D+2 0.00207 0.04406 0.02027 0.02890 0.06036 66 8D-2 0.03387 -0.05457 0.03048 -0.02734 -0.07617 67 4 Cu 1S -0.00150 -0.00043 0.00083 -0.00071 0.00094 68 2S 0.00140 -0.00842 -0.01929 0.01255 0.01197 69 3S -0.07264 -0.01883 0.04097 -0.05684 0.05201 70 4PX 0.00068 -0.00061 -0.00581 -0.00582 0.00189 71 4PY 0.00876 0.00453 0.00736 -0.00295 -0.00399 72 4PZ -0.00352 0.00227 0.00165 0.00165 -0.00103 73 5PX -0.01106 -0.00139 0.02612 0.02509 -0.00588 74 5PY -0.03511 -0.03170 -0.04518 0.01164 0.00148 75 5PZ 0.00738 -0.00915 0.00332 -0.02552 0.00915 76 6PX 0.00516 -0.01494 0.02743 -0.00068 0.00277 77 6PY -0.02350 -0.00638 -0.02816 -0.04423 0.00395 78 6PZ -0.00390 0.00829 -0.00325 0.00537 0.00252 79 7D 0 -0.09678 0.02010 0.06924 0.03089 -0.04701 80 7D+1 -0.17053 0.01949 -0.23244 -0.16715 0.03010 81 7D-1 0.17269 0.16707 0.39551 -0.02050 -0.04304 82 7D+2 0.00390 0.07552 0.00915 0.05300 -0.01078 83 7D-2 0.04738 0.12034 0.02719 0.03749 -0.34861 84 8D 0 -0.03174 0.00589 0.02284 0.00865 -0.01593 85 8D+1 -0.05599 0.00586 -0.07304 -0.05428 0.01041 86 8D-1 0.05628 0.05379 0.12646 -0.00706 -0.01590 87 8D+2 0.00073 0.02318 0.00102 0.01574 -0.00478 88 8D-2 0.01666 0.03957 0.00927 0.01291 -0.11118 89 5 Cu 1S 0.00058 0.00011 -0.00060 0.00086 -0.00005 90 2S -0.03551 -0.03728 0.01255 0.05145 0.00603 91 3S -0.03216 -0.09040 0.02019 0.11508 -0.02599 92 4PX -0.00586 -0.00710 0.00222 0.00546 -0.00165 93 4PY 0.00056 -0.00147 0.00254 -0.00684 -0.00008 94 4PZ -0.00487 -0.00537 0.00408 0.00314 -0.00043 95 5PX 0.02077 0.03587 -0.00834 -0.01968 0.01214 96 5PY -0.01811 0.00773 -0.01744 0.04094 0.00895 97 5PZ 0.01096 0.02592 -0.01911 -0.02419 0.00905 98 6PX 0.01810 0.01426 -0.01316 -0.02261 0.00989 99 6PY 0.00398 0.01232 -0.00248 -0.01049 0.00476 100 6PZ 0.01352 0.01565 -0.00396 0.00641 -0.00526 101 7D 0 -0.06983 0.25532 -0.09425 -0.14502 -0.20473 102 7D+1 0.14476 0.23077 -0.18761 0.07660 0.27620 103 7D-1 -0.26483 0.19690 -0.12099 0.45031 -0.15548 104 7D+2 0.35804 0.39714 -0.11784 -0.21809 -0.15012 105 7D-2 0.04241 0.01128 -0.05940 0.16775 0.17369 106 8D 0 -0.02380 0.08364 -0.03000 -0.04767 -0.06695 107 8D+1 0.04914 0.07634 -0.06179 0.02596 0.09000 108 8D-1 -0.08603 0.06404 -0.03917 0.14858 -0.05080 109 8D+2 0.11948 0.12939 -0.03856 -0.07078 -0.04837 110 8D-2 0.01442 0.00353 -0.01927 0.05675 0.05700 111 6 Cu 1S 0.00000 0.00090 0.00023 0.00074 -0.00019 112 2S -0.00275 -0.01755 -0.00441 0.01766 -0.00440 113 3S -0.00347 0.10354 0.03699 -0.00095 0.00867 114 4PX 0.00125 -0.00016 -0.00008 0.00161 0.00451 115 4PY -0.00026 0.00236 0.00104 0.00218 0.00079 116 4PZ 0.00010 -0.00249 -0.00104 0.00098 0.00134 117 5PX -0.01777 0.00737 -0.01007 -0.00994 -0.01964 118 5PY -0.00372 -0.03547 -0.01404 -0.00547 -0.00527 119 5PZ -0.00474 0.02304 0.00707 0.00003 -0.00563 120 6PX -0.02203 0.01220 -0.02079 0.02562 -0.01029 121 6PY -0.00253 -0.00831 -0.00562 -0.07887 0.01668 122 6PZ -0.00619 -0.00758 -0.00385 -0.06554 0.01591 123 7D 0 -0.01899 0.05364 0.05854 -0.00932 0.05870 124 7D+1 -0.06358 -0.01503 0.13297 0.06931 0.09555 125 7D-1 -0.06007 0.02854 0.00549 0.00352 -0.00335 126 7D+2 0.06272 0.18798 0.11556 0.11388 -0.01668 127 7D-2 -0.14865 0.13919 -0.13996 -0.01253 -0.06973 128 8D 0 -0.00660 0.01797 0.01877 -0.00318 0.01923 129 8D+1 -0.02148 -0.00408 0.04173 0.02234 0.03107 130 8D-1 -0.02010 0.00688 0.00108 0.00188 -0.00070 131 8D+2 0.02082 0.06086 0.03722 0.03732 -0.00646 132 8D-2 -0.04901 0.04523 -0.04419 -0.00369 -0.02021 133 7 Cu 1S -0.00046 -0.00004 0.00057 0.00106 -0.00048 134 2S 0.02968 -0.02703 -0.03842 0.03293 -0.02573 135 3S 0.01885 -0.05531 -0.07436 0.08933 -0.02227 136 4PX -0.00571 0.00516 0.00924 -0.00236 0.00036 137 4PY -0.00176 0.00208 0.00032 -0.00623 0.00273 138 4PZ 0.00266 -0.00069 -0.00432 0.00043 -0.00035 139 5PX 0.01234 -0.02340 -0.04285 0.01092 0.00868 140 5PY 0.01702 -0.01352 0.00324 0.03192 -0.02145 141 5PZ -0.00460 0.00097 0.02093 -0.01530 0.00063 142 6PX 0.02013 -0.01209 -0.02655 0.02345 -0.00323 143 6PY 0.00024 0.00835 0.00234 -0.00739 0.00020 144 6PZ -0.00518 0.00931 0.00621 0.01334 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5PY 0.00045 0.00473 0.00179 -0.00250 0.00051 185 5PZ 0.00109 0.00656 0.00192 0.00409 -0.00148 186 10 O 1S 0.00038 0.00248 0.00091 -0.00333 0.00075 187 2S -0.00092 -0.00686 -0.00252 0.00833 -0.00189 188 3S -0.00238 -0.01217 -0.00447 0.02005 -0.00448 189 4PX 0.00230 0.00445 0.00387 -0.01243 -0.01506 190 4PY -0.00313 -0.01969 -0.00723 0.03302 -0.01071 191 4PZ -0.00039 -0.01450 -0.00393 -0.00321 -0.00244 192 5PX 0.00046 0.00179 0.00168 -0.00540 -0.00712 193 5PY -0.00131 -0.00728 -0.00276 0.01467 -0.00492 194 5PZ -0.00028 -0.00745 -0.00196 -0.00407 -0.00050 71 72 73 74 75 O O O O O EIGENVALUES -- -0.25543 -0.25391 -0.25310 -0.25279 -0.25050 1 1 Cu 1S -0.00029 0.00139 0.00126 -0.00177 0.00038 2 2S 0.00609 0.02387 0.00415 -0.00594 0.00217 3 3S -0.01810 0.09708 0.08518 -0.11966 0.03369 4 4PX 0.00674 0.00174 0.00630 0.00272 0.00926 5 4PY 0.00216 -0.00417 0.00075 -0.00106 0.00158 6 4PZ 0.00061 -0.00683 -0.00448 0.00873 -0.00017 7 5PX -0.00655 -0.00503 -0.02521 -0.01172 -0.06404 8 5PY -0.00210 0.01677 0.00035 -0.00007 -0.00884 9 5PZ 0.00078 0.02529 0.01989 -0.03648 -0.00574 10 6PX -0.06853 0.02038 0.02646 0.00927 -0.22673 11 6PY 0.02409 -0.02790 0.01559 -0.04792 -0.01290 12 6PZ -0.00189 -0.02452 0.00873 -0.00372 -0.04050 13 7D 0 -0.02871 0.32059 0.09229 -0.08164 0.11983 14 7D+1 -0.12946 -0.11981 0.03160 0.12909 0.25349 15 7D-1 -0.01395 0.13322 -0.12043 0.22967 0.02620 16 7D+2 -0.00438 0.17356 -0.12837 0.24554 -0.11646 17 7D-2 0.08699 0.04615 -0.08613 0.02880 0.02342 18 8D 0 -0.00958 0.10059 0.02920 -0.02626 0.03711 19 8D+1 -0.04200 -0.03733 0.00913 0.04051 0.07774 20 8D-1 -0.00457 0.04220 -0.03708 0.07032 0.00771 21 8D+2 -0.00093 0.05485 -0.04010 0.07788 -0.03564 22 8D-2 0.02754 0.01475 -0.02796 0.00884 0.00625 23 2 Cu 1S 0.00017 0.00005 -0.00029 0.00054 -0.00006 24 2S 0.00412 -0.00872 -0.00782 0.00961 -0.00187 25 3S 0.01532 0.05112 0.00883 -0.00988 0.00703 26 4PX 0.01682 0.00033 0.00048 0.00422 0.00856 27 4PY 0.00151 0.00182 0.00632 -0.00824 0.00343 28 4PZ 0.00079 -0.00115 0.00077 -0.00021 0.00160 29 5PX -0.05835 -0.00848 0.00414 -0.00543 -0.03664 30 5PY -0.00858 0.01594 0.00009 0.00309 -0.00877 31 5PZ -0.00491 0.01402 0.00190 0.00117 -0.00739 32 6PX 0.01915 -0.00022 0.00394 -0.00805 0.03403 33 6PY 0.00596 0.00025 -0.00098 -0.00008 0.00315 34 6PZ 0.00708 -0.01192 -0.01392 0.01682 0.00588 35 7D 0 0.03258 -0.00333 0.00477 -0.01015 0.02349 36 7D+1 0.07727 0.00667 0.00779 -0.01343 0.06839 37 7D-1 0.02056 -0.00048 -0.03985 0.05771 -0.00017 38 7D+2 -0.05502 -0.02670 0.05299 -0.07670 0.00042 39 7D-2 0.02050 -0.00861 0.01688 -0.04578 0.01214 40 8D 0 0.00890 -0.00047 0.00110 -0.00235 0.00689 41 8D+1 0.02219 0.00175 0.00244 -0.00441 0.02043 42 8D-1 0.00663 -0.00086 -0.01215 0.01748 0.00016 43 8D+2 -0.01755 -0.00830 0.01632 -0.02345 -0.00049 44 8D-2 0.00886 -0.00245 0.00505 -0.01376 0.00499 45 3 Cu 1S 0.00074 -0.00170 0.00127 0.00076 0.00221 46 2S -0.02849 -0.01670 -0.02013 0.01364 -0.00055 47 3S -0.00244 -0.07719 0.05570 0.02651 0.13489 48 4PX -0.00291 0.00527 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-0.01946 -0.00638 0.01761 -0.00819 69 3S -0.01461 -0.07087 -0.03202 -0.06709 -0.13677 70 4PX -0.00496 -0.00373 -0.00685 -0.00082 0.00336 71 4PY -0.00097 -0.00325 -0.00117 0.00760 -0.00004 72 4PZ 0.00295 -0.00128 0.00384 -0.00394 -0.00480 73 5PX 0.02907 0.01145 0.03607 0.00696 -0.02112 74 5PY 0.02013 0.00408 0.00061 -0.04238 0.00627 75 5PZ -0.03288 0.00036 -0.02268 -0.00429 -0.00367 76 6PX 0.01226 -0.00727 -0.00199 -0.00287 0.01025 77 6PY 0.00107 0.00531 -0.00564 -0.01899 0.00558 78 6PZ -0.01957 -0.00329 -0.00021 0.00136 -0.02624 79 7D 0 0.39250 -0.23736 0.07254 -0.06835 -0.17794 80 7D+1 -0.10453 -0.12268 -0.05511 -0.04352 -0.16107 81 7D-1 -0.01318 -0.11978 -0.02955 0.06850 -0.10592 82 7D+2 -0.04117 -0.09511 -0.26179 -0.22790 0.19691 83 7D-2 -0.11852 0.09895 0.11536 0.01744 0.11915 84 8D 0 0.12603 -0.07680 0.02323 -0.02293 -0.05875 85 8D+1 -0.03372 -0.04073 -0.01821 -0.01402 -0.05159 86 8D-1 -0.00465 -0.03825 -0.00947 0.02067 -0.03469 87 8D+2 -0.01363 -0.03064 -0.08470 -0.07243 0.06338 88 8D-2 -0.03771 0.03151 0.03713 0.00661 0.03842 89 5 Cu 1S 0.00105 0.00010 0.00046 -0.00063 0.00118 90 2S -0.04197 -0.00856 -0.02306 0.00808 -0.04012 91 3S -0.02752 -0.02883 -0.05768 0.01039 0.06367 92 4PX -0.00657 -0.00577 -0.00293 0.00386 0.00032 93 4PY 0.00420 -0.00022 0.00196 -0.00567 0.00424 94 4PZ -0.00484 0.00116 -0.00505 -0.00130 -0.00760 95 5PX 0.02420 0.03043 0.01345 -0.02050 -0.02738 96 5PY -0.02316 0.00377 -0.01074 0.02543 -0.00729 97 5PZ 0.01623 -0.01286 0.02173 0.01714 0.02677 98 6PX -0.00453 0.01045 0.01421 -0.00785 -0.00552 99 6PY -0.00008 0.00268 -0.02006 0.01960 0.01919 100 6PZ 0.01730 0.00428 0.00176 -0.00227 0.04024 101 7D 0 0.02619 -0.26684 0.06085 0.23063 0.11558 102 7D+1 0.23659 0.12008 0.18459 -0.07178 0.05757 103 7D-1 -0.08495 -0.03067 0.04159 0.00530 -0.18867 104 7D+2 0.01419 0.14188 -0.01209 -0.03733 -0.03379 105 7D-2 -0.27616 -0.00051 -0.16321 0.24830 -0.05379 106 8D 0 0.00971 -0.08690 0.01980 0.07633 0.03645 107 8D+1 0.07640 0.03906 0.06008 -0.02340 0.01839 108 8D-1 -0.02819 -0.00949 0.01323 0.00241 -0.06107 109 8D+2 0.00385 0.04695 -0.00317 -0.01409 -0.01105 110 8D-2 -0.09123 -0.00099 -0.05336 0.08150 -0.02053 111 6 Cu 1S 0.00013 -0.00065 -0.00077 0.00136 -0.00034 112 2S 0.00168 0.00294 0.00930 -0.01250 0.00075 113 3S 0.00015 0.02993 -0.02164 0.04720 -0.00986 114 4PX -0.00383 -0.00513 0.01449 0.00734 -0.00296 115 4PY -0.00048 0.00732 0.00273 0.00090 -0.00015 116 4PZ -0.00049 0.01424 0.00029 0.00611 -0.00107 117 5PX 0.02176 0.02332 -0.07275 -0.03321 0.01344 118 5PY 0.00288 -0.03676 -0.00221 -0.02322 0.00486 119 5PZ 0.00337 -0.06209 -0.00351 -0.02706 0.00487 120 6PX 0.02025 0.00227 -0.03795 -0.00936 0.01291 121 6PY -0.01002 -0.00928 0.00767 -0.01648 -0.00100 122 6PZ -0.00818 -0.00576 0.01133 -0.02057 0.00098 123 7D 0 -0.00157 0.27035 0.01300 0.16517 -0.00325 124 7D+1 -0.02805 -0.04171 0.21489 0.07593 0.03665 125 7D-1 0.01500 -0.26994 0.04821 -0.17446 0.03323 126 7D+2 -0.01857 0.03475 0.19628 -0.14804 0.03984 127 7D-2 0.11862 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147 7D-1 0.14574 -0.04274 0.00230 -0.01628 0.20191 148 7D+2 0.11466 0.11257 -0.08530 0.12625 0.02759 149 7D-2 -0.35116 0.08954 0.14068 -0.22137 -0.00464 150 8D 0 0.02538 -0.09796 -0.05723 0.04227 -0.04892 151 8D+1 0.05860 0.02476 0.04788 0.05478 0.01600 152 8D-1 0.04778 -0.01304 0.00109 -0.00550 0.06450 153 8D+2 0.03920 0.03685 -0.02764 0.04080 0.01123 154 8D-2 -0.11527 0.03003 0.04730 -0.07389 -0.00256 155 8 Cu 1S 0.00012 0.00034 -0.00096 0.00113 -0.00036 156 2S 0.00346 -0.00949 0.00800 -0.00976 0.00110 157 3S -0.00413 0.01489 -0.04843 0.06688 -0.03014 158 4PX -0.00012 0.00043 -0.00150 -0.00048 -0.00307 159 4PY 0.00047 0.00238 0.00007 -0.00045 -0.00077 160 4PZ 0.00001 -0.00395 0.00169 -0.00301 -0.00021 161 5PX 0.00205 -0.00010 0.00905 0.01346 0.02073 162 5PY -0.00133 -0.00783 0.01481 -0.01394 0.01157 163 5PZ -0.00059 0.00174 0.00027 0.00854 0.00404 164 6PX 0.00866 -0.00391 0.00809 0.01428 0.04877 165 6PY 0.00576 0.00773 0.00189 0.00320 0.01506 166 6PZ -0.00847 0.00629 0.00809 0.00189 0.00610 167 7D 0 -0.06146 -0.11871 0.16337 0.05279 -0.07819 168 7D+1 -0.11582 0.03452 0.30358 0.15255 -0.19778 169 7D-1 -0.01397 0.05007 -0.07921 0.30397 0.02967 170 7D+2 -0.00910 -0.01699 -0.27262 0.07578 -0.25172 171 7D-2 0.12554 -0.04804 0.02037 0.16900 0.46596 172 8D 0 -0.02051 -0.04176 0.05477 0.01627 -0.02578 173 8D+1 -0.03878 0.01187 0.10052 0.05045 -0.06531 174 8D-1 -0.00454 0.01727 -0.02693 0.10126 0.00956 175 8D+2 -0.00316 -0.00746 -0.08960 0.02456 -0.08272 176 8D-2 0.04229 -0.01687 0.00624 0.05485 0.15348 177 9 C 1S 0.00203 -0.00016 -0.00602 0.00903 -0.00181 178 2S -0.00427 -0.00066 0.01238 -0.01875 0.00395 179 3S -0.01109 0.00532 0.03361 -0.04953 0.00869 180 4PX -0.01790 -0.00108 -0.00494 0.00386 -0.01211 181 4PY -0.00935 -0.00163 0.01398 -0.02175 0.00223 182 4PZ -0.00417 0.00329 0.00840 -0.01298 0.00084 183 5PX -0.00218 -0.00197 -0.00236 0.00064 -0.00504 184 5PY -0.00089 0.01088 0.00267 -0.00217 -0.00053 185 5PZ -0.00005 0.00138 0.00445 -0.00711 0.00012 186 10 O 1S 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0.00187 11 6PY 0.05775 -0.00616 0.08579 -0.00020 0.00454 12 6PZ -0.06570 -0.02924 0.02061 0.01793 -0.00265 13 7D 0 0.14697 -0.01883 -0.09072 -0.01568 -0.05298 14 7D+1 -0.08786 -0.10430 -0.01202 -0.03036 -0.07128 15 7D-1 0.02077 0.06178 0.04474 -0.02735 0.26726 16 7D+2 -0.16341 -0.13162 -0.16866 0.02251 -0.12973 17 7D-2 -0.10167 0.26746 -0.10535 0.02068 -0.12646 18 8D 0 0.04439 -0.00609 -0.02922 -0.00472 -0.01686 19 8D+1 -0.02697 -0.03307 -0.00441 -0.00885 -0.02305 20 8D-1 0.00649 0.01926 0.01701 -0.00867 0.08541 21 8D+2 -0.05199 -0.04085 -0.05400 0.00704 -0.04270 22 8D-2 -0.03233 0.08296 -0.03433 0.00676 -0.04087 23 2 Cu 1S -0.00053 -0.00006 -0.00015 0.00007 -0.00035 24 2S 0.00176 0.00091 0.01849 -0.00172 0.02008 25 3S -0.05385 -0.00609 -0.00720 0.00313 -0.04980 26 4PX -0.00148 0.00539 -0.00030 -0.00010 -0.00092 27 4PY 0.00181 0.00147 -0.00206 -0.00010 -0.00138 28 4PZ 0.00388 0.00186 -0.00132 0.00012 -0.00122 29 5PX 0.01318 -0.01785 0.00601 -0.00208 0.01247 30 5PY -0.03090 -0.00993 -0.00983 0.00322 -0.03392 31 5PZ -0.02738 -0.00897 -0.00249 0.00143 -0.00997 32 6PX -0.01114 0.02372 -0.01037 -0.01344 -0.00281 33 6PY -0.01004 0.00152 0.00186 -0.00155 -0.00362 34 6PZ -0.00164 0.00782 0.01494 -0.00663 0.01880 35 7D 0 -0.00286 -0.00754 -0.00242 0.01381 0.02493 36 7D+1 0.02354 -0.01969 0.01664 0.04534 0.01284 37 7D-1 -0.01360 -0.00653 -0.03176 0.01396 -0.04078 38 7D+2 0.08132 0.01502 0.03593 -0.01499 0.05385 39 7D-2 0.03100 0.02962 0.01843 -0.00627 0.02382 40 8D 0 -0.00058 -0.00205 -0.00067 0.00385 0.00661 41 8D+1 0.00683 -0.00559 0.00510 0.01258 0.00418 42 8D-1 -0.00406 -0.00192 -0.01029 0.00439 -0.01231 43 8D+2 0.02408 0.00432 0.01081 -0.00480 0.01704 44 8D-2 0.00925 0.00901 0.00574 -0.00062 0.00748 45 3 Cu 1S -0.00087 -0.00052 0.00113 0.00021 -0.00063 46 2S 0.00614 -0.02899 0.00379 -0.01024 -0.01131 47 3S -0.04289 -0.01153 0.02662 0.02008 -0.02486 48 4PX 0.00491 0.00744 -0.00392 0.00228 -0.00073 49 4PY -0.00145 -0.00238 0.00534 0.00775 0.00359 50 4PZ 0.00474 0.00427 -0.00145 0.00102 -0.00258 51 5PX -0.00745 -0.03865 0.01458 -0.00909 0.00164 52 5PY 0.00025 0.01459 -0.01815 -0.03055 -0.01066 53 5PZ -0.02830 -0.01995 0.00915 0.00514 0.00264 54 6PX 0.01733 0.00289 0.00499 -0.01765 0.00555 55 6PY -0.01150 0.00086 -0.02582 0.01339 -0.01783 56 6PZ -0.00227 -0.00428 0.01597 -0.01612 -0.00097 57 7D 0 0.08315 0.19127 -0.07132 -0.08278 0.01152 58 7D+1 0.01023 0.19475 -0.05929 -0.08054 0.06796 59 7D-1 0.01538 -0.13259 0.07894 -0.04109 -0.03985 60 7D+2 -0.03080 -0.03550 0.01161 -0.19717 0.00339 61 7D-2 0.07571 -0.04681 -0.07793 -0.17133 -0.05758 62 8D 0 0.02638 0.06263 -0.02294 -0.02563 0.00372 63 8D+1 0.00431 0.06119 -0.01939 -0.02596 0.02189 64 8D-1 0.00373 -0.04180 0.02618 -0.01172 -0.01218 65 8D+2 -0.00915 -0.01274 0.00389 -0.06385 0.00085 66 8D-2 0.02606 -0.01536 -0.02591 -0.05551 -0.01803 67 4 Cu 1S -0.00138 0.00023 0.00113 -0.00042 -0.00047 68 2S 0.00058 0.02799 0.00145 0.01336 -0.01414 69 3S -0.03890 0.00500 0.02345 -0.01505 -0.02286 70 4PX -0.00734 0.00650 0.00204 0.00450 -0.00022 71 4PY -0.00404 0.00541 0.00474 -0.00714 0.00145 72 4PZ 0.00352 -0.00147 -0.00018 0.00073 -0.00124 73 5PX 0.02908 -0.03320 -0.00717 -0.01541 0.00446 74 5PY 0.00965 -0.03081 -0.01618 0.02782 -0.00256 75 5PZ -0.02583 0.00334 0.00321 -0.00863 -0.00073 76 6PX -0.01604 -0.00342 -0.00256 -0.01469 0.00532 77 6PY -0.00845 -0.01214 -0.02343 -0.00768 -0.01552 78 6PZ -0.00358 0.00597 0.01442 0.00817 -0.00425 79 7D 0 0.08842 -0.05841 -0.02865 0.06106 0.00210 80 7D+1 -0.09995 0.21685 0.02709 -0.02360 -0.07210 81 7D-1 -0.05679 0.19749 0.09135 -0.00719 -0.05669 82 7D+2 0.01493 -0.00024 -0.01703 0.29270 0.01383 83 7D-2 -0.04690 -0.09221 0.04035 -0.01468 0.07173 84 8D 0 0.02808 -0.02045 -0.00909 0.01929 0.00083 85 8D+1 -0.03172 0.07031 0.00883 -0.00647 -0.02338 86 8D-1 -0.01975 0.06256 0.03034 -0.00379 -0.01808 87 8D+2 0.00633 0.00136 -0.00588 0.09440 0.00453 88 8D-2 -0.01531 -0.02878 0.01328 -0.00406 0.02235 89 5 Cu 1S -0.00074 0.00145 -0.00038 -0.00026 -0.00063 90 2S -0.01582 -0.02228 0.01194 -0.00840 0.00281 91 3S 0.01932 0.08283 0.00597 -0.03922 -0.00900 92 4PX -0.00185 -0.00790 0.00198 0.00071 -0.00114 93 4PY 0.00447 0.00002 0.00378 0.00330 0.00452 94 4PZ 0.00136 0.00484 -0.00027 -0.00050 0.00539 95 5PX 0.00242 0.01521 -0.00561 -0.00020 0.01128 96 5PY -0.01812 0.00762 -0.01506 -0.01383 -0.01884 97 5PZ -0.01362 -0.03294 0.00670 0.00610 -0.01749 98 6PX -0.01500 0.00202 -0.01013 0.00764 0.00123 99 6PY -0.01687 0.01951 -0.01379 -0.01724 0.00066 100 6PZ 0.01301 0.00661 0.00421 -0.01493 -0.00727 101 7D 0 -0.08770 -0.26193 0.05243 -0.00399 -0.07414 102 7D+1 -0.04689 -0.03155 -0.00966 -0.02540 -0.08231 103 7D-1 -0.01548 0.11545 -0.07994 -0.10442 -0.00222 104 7D+2 0.03260 0.19108 -0.05294 -0.02005 0.00343 105 7D-2 -0.17288 -0.10455 -0.08239 -0.00903 -0.10586 106 8D 0 -0.02931 -0.08769 0.01738 -0.00103 -0.02389 107 8D+1 -0.01555 -0.01098 -0.00304 -0.00845 -0.02691 108 8D-1 -0.00561 0.03796 -0.02662 -0.03365 -0.00014 109 8D+2 0.01133 0.06294 -0.01750 -0.00679 0.00092 110 8D-2 -0.05668 -0.03585 -0.02689 -0.00338 -0.03437 111 6 Cu 1S -0.00234 -0.00026 -0.00118 0.00003 0.00270 112 2S -0.03068 -0.00154 0.01491 -0.00143 0.02364 113 3S -0.04687 -0.00274 -0.09360 0.00500 0.13208 114 4PX -0.00053 0.00362 -0.00030 0.00198 0.00421 115 4PY 0.00502 0.00084 -0.00152 0.00105 -0.01291 116 4PZ -0.00048 0.00083 0.00414 0.00037 -0.00693 117 5PX 0.00315 -0.01595 0.00856 -0.01201 -0.02002 118 5PY -0.03031 -0.00479 -0.00297 -0.00436 0.04923 119 5PZ 0.00455 -0.00347 -0.04164 -0.00055 0.04419 120 6PX 0.00518 0.00565 0.01652 -0.02245 -0.00032 121 6PY -0.01266 -0.00626 -0.02730 0.00006 -0.00251 122 6PZ -0.01368 -0.00675 -0.05270 0.00332 0.00520 123 7D 0 -0.10091 0.02523 0.27618 0.11517 -0.23437 124 7D+1 -0.03231 0.04883 -0.05515 0.29293 0.17666 125 7D-1 0.26013 -0.00135 -0.08916 0.14773 -0.32059 126 7D+2 -0.10853 0.00824 0.01784 -0.17933 -0.05210 127 7D-2 -0.10600 -0.07910 0.04778 0.25490 0.07863 128 8D 0 -0.03271 0.00784 0.08963 0.03538 -0.07641 129 8D+1 -0.01015 0.01479 -0.01852 0.09045 0.05726 130 8D-1 0.08345 -0.00080 -0.02737 0.04653 -0.10416 131 8D+2 -0.03310 0.00319 0.00643 -0.05684 -0.01776 132 8D-2 -0.03316 -0.02585 0.01534 0.08253 0.02535 133 7 Cu 1S -0.00043 -0.00189 -0.00005 0.00043 -0.00017 134 2S -0.01702 0.01522 0.00843 0.00728 -0.00552 135 3S 0.04623 -0.07593 0.01634 0.03379 -0.00092 136 4PX 0.00054 -0.00517 -0.00134 0.00182 -0.00103 137 4PY 0.00468 -0.00036 0.00278 -0.00397 0.00446 138 4PZ 0.00312 -0.00679 -0.00041 0.00030 0.00544 139 5PX 0.00889 0.00809 0.00557 -0.00461 0.00101 140 5PY -0.01266 -0.00999 -0.01113 0.01789 -0.01983 141 5PZ -0.02004 0.03435 0.00408 -0.00363 -0.02198 142 6PX 0.00912 0.01252 0.00835 -0.00591 0.00114 143 6PY 0.00194 -0.01644 -0.00121 0.01683 0.00143 144 6PZ 0.02231 0.00275 0.01125 0.01014 -0.01009 145 7D 0 -0.09139 0.19261 0.02319 -0.00874 -0.03724 146 7D+1 0.10783 -0.15026 -0.01489 -0.05999 0.08741 147 7D-1 0.10799 -0.20039 -0.02860 0.08576 0.08487 148 7D+2 -0.08837 -0.09743 -0.07492 0.06626 -0.08196 149 7D-2 0.16136 -0.08552 0.07802 -0.04829 0.07634 150 8D 0 -0.03069 0.06419 0.00752 -0.00325 -0.01205 151 8D+1 0.03647 -0.05039 -0.00486 -0.01921 0.02848 152 8D-1 0.03557 -0.06672 -0.00982 0.02748 0.02818 153 8D+2 -0.02904 -0.03099 -0.02473 0.02195 -0.02677 154 8D-2 0.05383 -0.02884 0.02578 -0.01589 0.02450 155 8 Cu 1S 0.00047 -0.00002 0.00049 -0.00003 -0.00041 156 2S -0.00390 0.00128 0.07462 -0.00494 -0.02575 157 3S 0.04291 -0.00146 0.19858 -0.01081 -0.05921 158 4PX 0.00083 -0.00530 -0.00566 -0.00566 0.00074 159 4PY -0.00231 -0.00091 0.01252 -0.00233 0.00603 160 4PZ -0.00159 -0.00113 0.01075 -0.00178 -0.01092 161 5PX 0.00082 0.02711 0.02979 0.02141 -0.00269 162 5PY -0.00109 0.00409 -0.06614 0.01124 -0.04128 163 5PZ -0.00440 0.00571 -0.05871 0.00791 0.05899 164 6PX -0.00293 0.03946 0.01549 -0.00069 -0.00532 165 6PY -0.00604 0.01082 -0.02388 0.00072 -0.00595 166 6PZ -0.00058 0.00342 -0.05491 0.00477 0.02353 167 7D 0 -0.22014 0.02649 -0.14434 0.22387 0.55701 168 7D+1 0.10290 0.07680 0.32238 0.51536 -0.16213 169 7D-1 0.50952 0.13893 -0.40357 0.12222 0.01150 170 7D+2 0.36944 -0.18366 0.41351 -0.15144 0.22032 171 7D-2 0.05171 0.41641 0.31403 -0.11223 0.10546 172 8D 0 -0.07252 0.00852 -0.04730 0.07332 0.18685 173 8D+1 0.03400 0.02483 0.10681 0.16896 -0.05441 174 8D-1 0.16791 0.04547 -0.13436 0.04029 0.00398 175 8D+2 0.12177 -0.06025 0.13758 -0.04999 0.07428 176 8D-2 0.01717 0.13705 0.10461 -0.03647 0.03554 177 9 C 1S -0.00445 -0.00106 -0.00040 0.00035 -0.00216 178 2S 0.01090 0.00264 0.00130 -0.00090 0.00611 179 3S 0.01252 0.00294 0.00102 -0.00095 0.00125 180 4PX -0.00224 -0.00668 0.00031 -0.00146 0.00005 181 4PY 0.01328 0.00196 0.00065 -0.00113 0.00592 182 4PZ 0.00122 -0.00058 0.00192 -0.00092 0.00261 183 5PX 0.00276 -0.00233 0.00190 -0.00126 0.00320 184 5PY -0.00696 -0.00198 -0.00763 0.00103 -0.00990 185 5PZ -0.00601 -0.00169 -0.00207 0.00028 -0.00541 186 10 O 1S 0.00123 0.00030 0.00047 -0.00012 0.00090 187 2S -0.00281 -0.00072 -0.00053 0.00024 -0.00175 188 3S -0.00874 -0.00194 -0.00592 0.00110 -0.00792 189 4PX 0.00136 0.00888 -0.00026 0.00096 -0.00041 190 4PY -0.01141 -0.00111 -0.00221 0.00095 -0.00617 191 4PZ 0.00078 0.00145 -0.00276 0.00088 -0.00329 192 5PX -0.00004 0.00533 -0.00016 0.00102 -0.00084 193 5PY -0.00381 0.00014 -0.00063 0.00038 -0.00145 194 5PZ 0.00219 0.00127 -0.00183 0.00051 -0.00074 81 82 83 84 85 O O O V V EIGENVALUES -- -0.20743 -0.20421 -0.18388 -0.09648 -0.08718 1 1 Cu 1S 0.00090 -0.00040 -0.00276 -0.00064 -0.00044 2 2S 0.01234 -0.00406 -0.17441 -0.03731 -0.01574 3 3S 0.02601 -0.01133 0.12272 0.14235 0.03073 4 4PX 0.02985 0.04293 -0.00726 -0.00464 0.02439 5 4PY -0.05735 0.03131 0.00052 0.00867 0.00548 6 4PZ 0.00200 0.00798 0.04101 0.00787 0.00475 7 5PX -0.07269 -0.09182 0.02236 0.03502 -0.06408 8 5PY 0.14309 -0.07357 -0.01221 -0.08795 -0.00991 9 5PZ 0.00322 -0.01994 -0.11273 -0.06340 -0.01424 10 6PX 0.01631 0.01035 0.00892 0.01743 0.66029 11 6PY -0.07511 0.04203 -0.01058 -0.04603 0.09219 12 6PZ -0.00457 0.00828 -0.05617 -0.10619 0.10749 13 7D 0 -0.05397 -0.00470 -0.15551 0.00133 -0.00568 14 7D+1 -0.00855 -0.07990 0.03489 -0.02127 -0.02375 15 7D-1 0.06960 -0.08108 0.01940 0.09832 0.00638 16 7D+2 0.11965 0.04931 -0.03839 0.00158 -0.01413 17 7D-2 -0.03697 -0.17976 -0.02822 -0.02510 0.04835 18 8D 0 -0.01778 -0.00184 -0.05105 -0.00147 -0.00155 19 8D+1 -0.00364 -0.02692 0.01171 -0.00652 -0.00624 20 8D-1 0.02332 -0.02678 0.00651 0.03175 0.00214 21 8D+2 0.03734 0.01665 -0.01150 -0.00066 -0.00465 22 8D-2 -0.01269 -0.05829 -0.00882 -0.00840 0.01503 23 2 Cu 1S -0.00066 0.00030 -0.00037 0.00014 0.00013 24 2S -0.14922 0.05739 -0.03076 -0.02873 0.00098 25 3S 0.01573 0.00100 0.01053 -0.10089 -0.00404 26 4PX 0.01074 0.05740 -0.00338 0.00737 -0.05383 27 4PY 0.03548 -0.00226 -0.01034 0.03212 -0.00840 28 4PZ 0.02100 0.00261 0.03968 -0.05764 -0.01175 29 5PX -0.04897 -0.17023 0.01366 -0.01546 0.24994 30 5PY -0.04627 -0.01328 0.01673 -0.18345 0.04302 31 5PZ -0.03627 -0.01741 -0.12850 0.20639 0.05508 32 6PX 0.02796 0.03852 -0.00138 0.02883 -0.37537 33 6PY -0.01597 0.01601 -0.00273 -0.01967 -0.06528 34 6PZ -0.04054 0.02573 0.03323 -0.05836 -0.07528 35 7D 0 0.02485 -0.00310 -0.02991 0.10063 0.02115 36 7D+1 0.02415 0.00589 0.00386 -0.03771 0.04553 37 7D-1 -0.02566 0.02438 0.05618 0.08428 0.05063 38 7D+2 0.08552 -0.06131 0.02560 0.07244 -0.07722 39 7D-2 0.06557 0.04202 -0.00061 0.00287 0.17372 40 8D 0 0.01162 -0.00175 -0.00578 0.01994 0.00430 41 8D+1 0.00821 0.00362 -0.00035 -0.00676 0.00970 42 8D-1 -0.01018 0.00991 0.02038 0.01521 0.01127 43 8D+2 0.02965 -0.02300 0.00823 0.01661 -0.01732 44 8D-2 0.02433 0.01787 -0.00046 0.00154 0.03856 45 3 Cu 1S 0.00229 -0.00003 0.00020 0.00165 -0.00441 46 2S -0.08420 -0.16453 0.22631 -0.01372 -0.10610 47 3S 0.05157 0.00925 0.00926 0.07377 -0.10661 48 4PX 0.01457 0.01709 0.02255 0.00348 0.00915 49 4PY -0.02986 0.00473 -0.00408 -0.04223 0.02282 50 4PZ 0.01964 0.01712 0.02868 0.00384 0.00558 51 5PX -0.05734 -0.06088 -0.03340 -0.02003 -0.04682 52 5PY 0.07396 -0.02078 0.01147 0.11973 -0.06568 53 5PZ -0.03570 -0.03457 -0.09908 0.00047 -0.01528 54 6PX -0.04400 -0.04944 0.03152 0.01117 -0.01228 55 6PY 0.05443 -0.01238 0.00210 0.06063 -0.14184 56 6PZ -0.01021 -0.00219 -0.04183 0.03879 -0.00764 57 7D 0 0.11649 0.09057 0.10482 -0.00502 0.02297 58 7D+1 0.03070 0.04401 -0.06386 -0.01493 -0.00652 59 7D-1 -0.13978 -0.01351 -0.01424 0.02214 0.03721 60 7D+2 -0.02393 -0.09256 -0.02486 -0.01417 0.00001 61 7D-2 0.11026 -0.10108 -0.00658 0.07067 0.01526 62 8D 0 0.03902 0.03102 0.03374 -0.00378 0.00793 63 8D+1 0.00934 0.01575 -0.02310 -0.00371 -0.00138 64 8D-1 -0.04569 -0.00338 -0.00718 0.00657 0.01249 65 8D+2 -0.01063 -0.03335 -0.00678 -0.00648 0.00068 66 8D-2 0.03770 -0.03408 -0.00117 0.02230 0.00438 67 4 Cu 1S 0.00163 -0.00138 0.00015 0.00163 0.00501 68 2S 0.03887 0.17177 0.23306 -0.01642 0.11365 69 3S 0.01974 -0.03753 0.00878 0.08096 0.11395 70 4PX 0.00802 0.02383 -0.02726 0.00947 0.01928 71 4PY -0.02432 0.02582 -0.01201 -0.03862 -0.01875 72 4PZ 0.00481 -0.01835 0.01889 0.00521 0.00251 73 5PX -0.02090 -0.08016 0.05586 -0.02075 -0.07365 74 5PY 0.06561 -0.06567 0.02597 0.11357 0.04708 75 5PZ -0.00880 0.02270 -0.08124 0.00045 -0.01758 76 6PX -0.01513 -0.05114 -0.01356 -0.04116 -0.06494 77 6PY 0.04443 -0.05000 -0.00966 0.04005 0.14068 78 6PZ -0.00699 -0.01323 -0.05137 0.02879 -0.01030 79 7D 0 0.04212 -0.09522 0.11937 0.00477 -0.01480 80 7D+1 0.05872 0.11123 -0.01368 0.01364 0.02115 81 7D-1 -0.12458 0.13147 -0.00219 0.00451 -0.02385 82 7D+2 0.11464 0.05140 -0.03061 0.03499 -0.01647 83 7D-2 -0.04755 0.00733 -0.01643 -0.07089 0.01777 84 8D 0 0.01430 -0.03180 0.04021 -0.00096 -0.00515 85 8D+1 0.02071 0.03897 -0.00133 0.00445 0.00758 86 8D-1 -0.04170 0.04350 -0.00243 0.00066 -0.00844 87 8D+2 0.03805 0.01930 -0.00939 0.00963 -0.00580 88 8D-2 -0.01705 0.00531 -0.00468 -0.02337 0.00511 89 5 Cu 1S 0.00161 -0.00052 -0.00300 0.00180 -0.00285 90 2S -0.24093 -0.21288 -0.14884 0.03808 -0.01236 91 3S -0.07164 -0.06487 -0.08502 -0.00039 -0.21177 92 4PX -0.01194 0.00324 -0.01200 -0.00004 0.00086 93 4PY -0.01064 0.00667 -0.00257 0.00880 0.03469 94 4PZ -0.01319 -0.01274 0.01642 -0.01314 0.00432 95 5PX 0.00166 -0.02916 0.03277 0.02010 0.02487 96 5PY 0.03001 -0.02554 0.00499 -0.03782 -0.10908 97 5PZ 0.01670 0.01632 -0.06046 0.03641 0.00501 98 6PX -0.00135 -0.01729 -0.00489 -0.01119 0.05202 99 6PY 0.01336 0.01441 0.01393 -0.04319 -0.25617 100 6PZ -0.01533 -0.01967 -0.01040 0.06509 -0.10742 101 7D 0 0.02257 0.05010 -0.09511 0.04611 0.00344 102 7D+1 0.03471 -0.01111 -0.05573 0.00597 -0.02061 103 7D-1 0.03291 -0.01006 0.03853 0.02150 -0.05356 104 7D+2 0.06913 -0.09553 0.02574 0.01390 0.00867 105 7D-2 0.09225 -0.04049 0.00010 -0.02865 -0.03311 106 8D 0 0.00710 0.01706 -0.03115 0.01520 0.00075 107 8D+1 0.00781 -0.00799 -0.01986 0.00396 -0.00654 108 8D-1 0.01177 -0.00314 0.01177 0.00651 -0.01700 109 8D+2 0.01872 -0.03418 0.00666 0.00376 0.00357 110 8D-2 0.03046 -0.01162 0.00113 -0.00722 -0.01191 111 6 Cu 1S -0.00116 0.00032 -0.00045 0.00430 0.00014 112 2S 0.25702 -0.10115 0.09879 0.19871 0.00296 113 3S -0.02172 0.00844 0.03473 -0.04191 0.00490 114 4PX 0.01281 0.01455 -0.01284 -0.00776 0.03223 115 4PY -0.00931 0.00619 0.02607 0.00181 0.00514 116 4PZ -0.01939 0.00950 0.04005 0.03005 0.00805 117 5PX -0.03668 -0.03950 0.03631 0.02681 -0.11613 118 5PY 0.05832 -0.02909 -0.06447 0.03236 -0.01625 119 5PZ 0.03100 -0.01692 -0.12048 -0.13346 -0.02842 120 6PX -0.02382 0.00171 -0.00868 -0.00411 0.02201 121 6PY 0.06579 -0.02822 0.02224 0.06191 0.01631 122 6PZ 0.03782 -0.01565 0.01446 -0.04985 0.00907 123 7D 0 -0.13747 0.05601 0.12069 0.03488 0.00168 124 7D+1 0.07294 0.02392 -0.02381 -0.01820 0.00019 125 7D-1 -0.05954 0.00322 -0.07487 -0.00243 -0.01318 126 7D+2 -0.03415 0.05504 0.03641 -0.02239 0.01702 127 7D-2 -0.04935 -0.12017 0.02307 -0.00801 -0.04912 128 8D 0 -0.04491 0.01801 0.04092 0.01126 0.00101 129 8D+1 0.02258 0.00751 -0.00855 -0.00583 0.00094 130 8D-1 -0.01995 0.00133 -0.02523 -0.00261 -0.00346 131 8D+2 -0.01552 0.01967 0.01072 -0.00819 0.00478 132 8D-2 -0.01782 -0.03847 0.00719 -0.00267 -0.01423 133 7 Cu 1S 0.00135 -0.00050 -0.00294 0.00175 0.00334 134 2S -0.04296 0.32466 -0.13313 0.04052 0.02306 135 3S -0.02079 0.10006 -0.07560 0.00048 0.20420 136 4PX 0.01434 -0.01168 0.00543 0.00055 0.01602 137 4PY -0.00868 -0.00030 0.00126 0.01193 -0.02869 138 4PZ 0.00234 0.01488 0.02093 -0.01171 -0.00063 139 5PX -0.03288 -0.01068 -0.01051 -0.01456 -0.02517 140 5PY 0.03004 -0.00800 -0.00368 -0.05225 0.09622 141 5PZ -0.00626 -0.02721 -0.07079 0.02693 -0.00888 142 6PX -0.00786 -0.01411 0.00330 0.00575 -0.08093 143 6PY -0.00433 -0.02724 0.01163 -0.05842 0.23914 144 6PZ -0.00311 0.02132 -0.01054 0.06205 0.10364 145 7D 0 -0.01696 -0.03318 -0.05212 0.03233 -0.02129 146 7D+1 0.02222 0.04305 0.09235 -0.03484 -0.02639 147 7D-1 0.00794 0.00813 0.06648 0.02321 0.03337 148 7D+2 0.16118 -0.00887 -0.00035 -0.00068 0.02771 149 7D-2 -0.00651 0.04089 -0.00511 0.02903 -0.03497 150 8D 0 -0.00633 -0.01356 -0.01648 0.00959 -0.00643 151 8D+1 0.00684 0.01156 0.03133 -0.01257 -0.00868 152 8D-1 0.00323 0.00149 0.02094 0.00571 0.00978 153 8D+2 0.05164 0.00127 -0.00114 0.00115 0.00932 154 8D-2 -0.00261 0.01861 -0.00319 0.00834 -0.01269 155 8 Cu 1S -0.00007 -0.00014 -0.00260 -0.00400 -0.00004 156 2S 0.28849 -0.09736 -0.22856 -0.17687 0.00043 157 3S 0.09965 -0.04310 -0.13004 -0.04921 0.00439 158 4PX -0.00238 0.01311 0.00169 -0.00476 0.01690 159 4PY 0.00816 0.00113 -0.01024 0.00007 0.00191 160 4PZ 0.01935 -0.00483 0.00610 0.01927 0.00403 161 5PX -0.00674 -0.03239 0.00180 0.03501 -0.06954 162 5PY 0.01558 -0.01506 0.02205 -0.03932 -0.00357 163 5PZ -0.03025 0.00716 -0.03948 -0.10476 -0.01359 164 6PX -0.00497 -0.01027 0.00287 0.01327 -0.11087 165 6PY -0.01164 0.00287 -0.01628 -0.04161 -0.02310 166 6PZ 0.02700 -0.01338 0.00378 -0.00852 -0.01094 167 7D 0 -0.07956 0.01711 -0.05362 -0.03479 -0.01272 168 7D+1 0.03452 -0.05812 0.01937 0.01274 -0.02432 169 7D-1 -0.04258 -0.02261 -0.05941 0.00095 -0.00878 170 7D+2 0.06275 0.05967 -0.04917 -0.00806 0.01262 171 7D-2 -0.00719 -0.11221 -0.01277 -0.00291 -0.02031 172 8D 0 -0.02445 0.00519 -0.02000 -0.01229 -0.00378 173 8D+1 0.00917 -0.01819 0.00868 0.00507 -0.00723 174 8D-1 -0.01175 -0.00773 -0.02046 -0.00134 -0.00272 175 8D+2 0.01732 0.01972 -0.01305 -0.00219 0.00385 176 8D-2 -0.00424 -0.03400 -0.00209 -0.00033 -0.00531 177 9 C 1S -0.02550 0.00962 0.00036 -0.00362 0.00090 178 2S 0.05740 -0.02192 0.00107 0.01148 -0.00268 179 3S 0.12073 -0.04412 -0.01506 -0.01355 -0.00345 180 4PX -0.04622 -0.08156 0.00373 -0.06012 0.51468 181 4PY 0.06006 -0.04080 0.03286 -0.18167 0.08202 182 4PZ 0.01329 -0.02215 -0.07483 0.41025 0.11218 183 5PX -0.01992 -0.03142 0.00451 -0.03214 0.28837 184 5PY 0.03300 -0.01906 0.00947 -0.10323 0.04806 185 5PZ 0.00565 -0.00851 -0.04254 0.22400 0.06414 186 10 O 1S 0.00456 -0.00175 0.00008 0.00095 -0.00014 187 2S -0.01620 0.00622 0.00006 -0.00435 0.00036 188 3S -0.00657 0.00258 -0.00160 0.00272 0.00101 189 4PX 0.04309 0.09142 -0.00391 0.04517 -0.37062 190 4PY -0.03526 0.03313 -0.03306 0.13618 -0.05943 191 4PZ -0.00231 0.01950 0.07587 -0.30786 -0.08085 192 5PX 0.02429 0.05722 -0.00305 0.03092 -0.26969 193 5PY -0.01445 0.01749 -0.02121 0.10392 -0.04364 194 5PZ 0.00367 0.00994 0.05105 -0.21939 -0.05921 86 87 88 89 90 V V V V V EIGENVALUES -- -0.07773 -0.06848 -0.06138 -0.05259 -0.03880 1 1 Cu 1S -0.00565 -0.00011 -0.00588 -0.00519 0.00300 2 2S -0.25708 -0.00633 -0.14234 -0.10245 0.01160 3 3S 0.56195 0.02394 0.02407 0.08176 0.11706 4 4PX 0.00407 0.01321 -0.00298 -0.01214 0.00571 5 4PY -0.01081 0.00095 0.01958 0.04017 0.02411 6 4PZ -0.01741 0.00109 0.00256 0.02127 -0.05588 7 5PX -0.01058 -0.09448 -0.02461 0.03727 -0.02385 8 5PY 0.04841 -0.00914 0.07169 -0.09970 -0.07151 9 5PZ 0.01145 -0.01457 0.00828 -0.09730 0.20312 10 6PX -0.03535 0.03742 -0.10544 -0.09052 0.00167 11 6PY 0.05072 -0.00464 0.33373 0.28285 0.08357 12 6PZ -0.12473 -0.00155 -0.00299 0.01092 -0.05350 13 7D 0 0.03515 0.02820 0.00879 0.04430 -0.03412 14 7D+1 -0.02343 0.08939 0.03031 -0.00356 0.01088 15 7D-1 0.00583 0.00636 -0.07795 0.01832 0.02191 16 7D+2 -0.04392 -0.00011 0.07468 0.07398 0.02033 17 7D-2 -0.01615 -0.05631 0.04766 0.02004 0.00303 18 8D 0 0.01035 0.00719 0.00434 0.01374 -0.01271 19 8D+1 -0.00576 0.02324 0.00891 -0.00052 0.00387 20 8D-1 -0.00072 0.00183 -0.02468 0.00288 0.00779 21 8D+2 -0.01032 -0.00094 0.02297 0.02333 0.00623 22 8D-2 -0.00323 -0.01304 0.01477 0.00737 0.00076 23 2 Cu 1S -0.00335 -0.00025 0.00604 0.00775 0.00052 24 2S -0.11763 -0.00833 0.17884 0.20970 -0.00158 25 3S 0.10380 0.00160 0.17749 0.13577 0.09180 26 4PX -0.00413 -0.00537 0.00560 0.00665 0.00176 27 4PY 0.02212 0.00061 -0.01666 -0.02399 0.00804 28 4PZ 0.01064 -0.00063 -0.01221 -0.01258 -0.01716 29 5PX 0.00066 0.00153 -0.03846 -0.01666 -0.00972 30 5PY -0.02936 -0.00196 0.10347 0.06405 -0.00093 31 5PZ -0.01981 0.00068 0.08460 0.02512 0.05523 32 6PX 0.02982 -0.07492 -0.01783 -0.03188 0.01031 33 6PY -0.05228 -0.01789 0.02279 0.06932 -0.05318 34 6PZ 0.00326 -0.01794 0.11270 0.13312 0.01026 35 7D 0 -0.01512 0.03117 0.02023 -0.04957 -0.09390 36 7D+1 -0.02117 0.09179 -0.03910 0.01025 0.03424 37 7D-1 0.00707 0.02380 0.14110 -0.03220 -0.03371 38 7D+2 -0.09204 -0.02891 -0.01728 -0.07583 -0.00883 39 7D-2 -0.04487 0.02393 -0.04211 -0.02049 0.00525 40 8D 0 -0.00187 0.00612 -0.00262 -0.01307 -0.01999 41 8D+1 -0.00532 0.01761 -0.00876 0.00085 0.00750 42 8D-1 0.00187 0.00455 0.03479 -0.00115 -0.00785 43 8D+2 -0.02152 -0.00567 -0.01278 -0.02090 -0.00161 44 8D-2 -0.01032 0.00494 -0.01308 -0.00727 0.00134 45 3 Cu 1S 0.00485 0.00986 0.00387 -0.00699 0.00017 46 2S 0.02053 0.24818 0.08887 -0.11883 -0.02088 47 3S 0.14462 0.17436 0.09030 -0.12634 0.09305 48 4PX -0.04909 -0.02940 -0.00172 0.01054 0.01849 49 4PY -0.00225 -0.01312 0.03828 0.01491 -0.01190 50 4PZ 0.01483 0.01260 0.02195 -0.01589 0.05746 51 5PX 0.17093 0.14246 0.00859 -0.05258 -0.07324 52 5PY 0.00338 0.05166 -0.12712 -0.01642 0.03923 53 5PZ -0.05173 -0.09059 -0.10798 0.06317 -0.19940 54 6PX 0.09523 0.09769 0.08156 -0.00081 0.06434 55 6PY 0.02307 -0.02792 -0.10024 -0.13911 -0.02870 56 6PZ -0.05546 -0.05343 -0.02004 0.09595 -0.13282 57 7D 0 -0.00452 0.01951 0.00750 0.02464 -0.00952 58 7D+1 -0.07944 0.03891 -0.01099 0.02362 -0.02348 59 7D-1 0.00012 -0.00644 0.01617 0.04852 0.01849 60 7D+2 0.01212 0.04121 0.00325 0.05207 0.01661 61 7D-2 0.01486 0.00220 -0.04973 -0.00991 -0.00137 62 8D 0 -0.00046 0.00370 0.00097 0.00546 -0.00274 63 8D+1 -0.02122 0.00780 -0.00400 0.00810 -0.00790 64 8D-1 -0.00084 -0.00215 0.00496 0.01496 0.00672 65 8D+2 0.00366 0.01211 0.00245 0.01204 0.00503 66 8D-2 0.00458 0.00105 -0.01497 -0.00630 -0.00099 67 4 Cu 1S 0.00501 -0.00917 0.00298 -0.00728 0.00038 68 2S 0.02848 -0.24174 0.07603 -0.12986 -0.01630 69 3S 0.14278 -0.15115 0.05474 -0.13615 0.10324 70 4PX 0.03896 -0.02238 -0.02084 -0.00990 -0.03124 71 4PY 0.01399 0.00317 0.03307 0.01199 -0.02008 72 4PZ 0.03135 -0.01931 0.01769 -0.02000 0.04866 73 5PX -0.13258 0.09849 0.08095 0.03333 0.11570 74 5PY -0.05149 -0.00742 -0.10783 -0.00301 0.06961 75 5PZ -0.11201 0.12537 -0.09318 0.08328 -0.16561 76 6PX -0.06675 0.05123 -0.02747 0.03177 -0.00684 77 6PY -0.01763 0.06584 -0.12070 -0.12177 -0.04705 78 6PZ -0.08696 0.06952 -0.03628 0.08816 -0.14245 79 7D 0 0.04223 0.00319 0.00911 0.00871 0.00435 80 7D+1 0.06262 0.03045 -0.00904 -0.03119 0.01994 81 7D-1 0.02237 0.01254 0.03125 0.04649 0.02772 82 7D+2 -0.00030 -0.04387 -0.02713 0.04638 0.00664 83 7D-2 -0.01399 -0.03637 0.03350 0.02725 0.00039 84 8D 0 0.01189 0.00058 0.00195 -0.00015 0.00186 85 8D+1 0.01701 0.00513 -0.00125 -0.01095 0.00624 86 8D-1 0.00534 0.00275 0.01034 0.01466 0.00983 87 8D+2 0.00067 -0.01174 -0.00731 0.00940 0.00159 88 8D-2 -0.00363 -0.00981 0.01079 0.00834 0.00009 89 5 Cu 1S 0.00969 -0.00974 -0.00597 -0.00200 0.00097 90 2S 0.19024 -0.21022 -0.08187 0.02463 -0.02333 91 3S 0.16831 -0.21685 -0.08144 -0.07031 0.05911 92 4PX -0.05728 0.00758 0.00985 0.01602 0.02553 93 4PY 0.00194 -0.00897 0.02701 0.03216 0.01808 94 4PZ -0.00939 0.03998 0.02351 0.00702 -0.04866 95 5PX 0.25440 -0.07669 -0.04731 -0.03541 -0.11123 96 5PY -0.02273 0.05273 -0.09476 -0.14397 -0.06085 97 5PZ 0.04383 -0.18994 -0.10613 -0.00986 0.17757 98 6PX 0.11641 -0.05037 -0.05701 -0.03465 -0.09730 99 6PY -0.00070 -0.01129 -0.03981 -0.03948 -0.02165 100 6PZ 0.09769 -0.07337 0.00867 0.00872 0.20469 101 7D 0 -0.03560 -0.03265 -0.01968 0.01127 0.02359 102 7D+1 0.04656 0.01218 -0.01493 -0.03370 0.02715 103 7D-1 0.01003 0.02252 -0.02226 -0.01421 -0.02317 104 7D+2 0.03587 0.00713 -0.00283 -0.01283 -0.01873 105 7D-2 -0.01734 -0.01200 -0.03737 -0.03667 -0.00639 106 8D 0 -0.00970 -0.00966 -0.00549 0.00296 0.00844 107 8D+1 0.01574 0.00217 -0.00517 -0.00979 0.00707 108 8D-1 0.00253 0.00576 -0.00779 -0.00442 -0.00785 109 8D+2 0.01243 0.00168 -0.00021 -0.00415 -0.00580 110 8D-2 -0.00462 -0.00461 -0.01209 -0.00954 -0.00206 111 6 Cu 1S 0.00241 -0.00013 -0.00271 0.01138 0.00232 112 2S 0.00537 -0.00496 -0.13456 0.21513 0.00253 113 3S 0.04010 -0.00378 0.01601 0.14613 0.18450 114 4PX 0.00479 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0.00080 134 2S 0.17185 0.22008 -0.08987 0.03856 -0.02670 135 3S 0.12167 0.22493 -0.12249 -0.05909 0.05618 136 4PX 0.05052 0.02179 -0.02665 -0.02565 -0.01211 137 4PY 0.02209 0.01405 0.01961 0.02672 0.01109 138 4PZ 0.01231 -0.03525 0.01487 -0.00213 -0.05452 139 5PX -0.22213 -0.13229 0.10835 0.07466 0.05829 140 5PY -0.10901 -0.09020 -0.06357 -0.13224 -0.02946 141 5PZ -0.05150 0.15429 -0.07078 0.01761 0.20393 142 6PX -0.11906 -0.08549 0.07064 0.03596 0.02407 143 6PY -0.06817 -0.01486 -0.02603 -0.03902 0.00041 144 6PZ 0.03567 0.05371 0.02539 0.01339 0.22573 145 7D 0 -0.05338 0.03156 -0.00294 0.02773 0.00331 146 7D+1 -0.00743 -0.00427 0.02149 0.01168 -0.03147 147 7D-1 0.00952 -0.02411 -0.00550 0.00541 -0.03230 148 7D+2 0.02492 0.00177 -0.03426 -0.04358 -0.01156 149 7D-2 0.04040 -0.00512 0.02913 0.01768 0.00576 150 8D 0 -0.01586 0.00860 -0.00008 0.00774 0.00284 151 8D+1 -0.00337 -0.00231 0.00698 0.00371 -0.00917 152 8D-1 0.00186 -0.00707 -0.00194 0.00079 -0.01014 153 8D+2 0.00921 0.00229 -0.01119 -0.01245 -0.00398 154 8D-2 0.01308 -0.00185 0.00960 0.00437 0.00173 155 8 Cu 1S 0.00248 -0.00002 0.00921 -0.00084 0.00212 156 2S 0.06660 0.00167 0.22603 -0.03694 -0.01997 157 3S -0.10170 -0.00174 0.10181 -0.07426 0.05859 158 4PX 0.00817 -0.00257 0.01773 -0.00002 0.00666 159 4PY -0.02913 0.00019 -0.04800 -0.04781 0.00591 160 4PZ -0.00374 -0.00342 -0.02792 0.04410 -0.03960 161 5PX -0.04267 0.00616 -0.09479 0.00743 -0.01879 162 5PY 0.15482 0.00348 0.25169 0.16494 -0.03456 163 5PZ 0.01609 0.01103 0.15369 -0.18416 0.13642 164 6PX -0.02159 -0.01445 -0.04393 0.00541 -0.02119 165 6PY 0.04131 -0.00778 0.17863 0.14712 -0.02767 166 6PZ 0.08107 0.00903 0.03202 -0.16646 0.13988 167 7D 0 -0.01782 0.01548 -0.00500 -0.06978 0.01864 168 7D+1 -0.00905 0.02802 -0.01042 0.01502 -0.01469 169 7D-1 0.03339 0.00474 0.01877 0.03365 0.04082 170 7D+2 -0.03009 -0.00018 -0.02433 -0.02939 0.01466 171 7D-2 -0.02237 -0.01371 -0.01753 -0.02273 -0.00215 172 8D 0 -0.00431 0.00439 0.00062 -0.02095 0.00618 173 8D+1 -0.00317 0.00729 -0.00387 0.00419 -0.00425 174 8D-1 0.01095 0.00101 0.00619 0.01017 0.01050 175 8D+2 -0.00836 0.00046 -0.00678 -0.01017 0.00424 176 8D-2 -0.00638 -0.00379 -0.00506 -0.00732 -0.00041 177 9 C 1S 0.00508 -0.00028 0.02838 0.02145 0.00223 178 2S -0.01712 0.00042 -0.07612 -0.05029 -0.00741 179 3S -0.02580 0.00184 -0.12156 -0.12828 -0.01000 180 4PX -0.01586 0.17572 -0.03683 0.04153 0.01787 181 4PY 0.01024 0.03022 -0.19943 0.06560 0.06019 182 4PZ -0.07034 0.03655 0.26777 -0.24990 -0.14806 183 5PX -0.01021 0.11542 -0.03234 0.01969 0.00997 184 5PY 0.01331 0.02002 -0.08036 0.06248 0.04824 185 5PZ -0.04523 0.02357 0.17808 -0.14212 -0.09731 186 10 O 1S 0.00130 0.00018 -0.00649 -0.00669 0.00081 187 2S -0.00339 -0.00054 0.01993 0.01912 -0.00260 188 3S -0.00779 -0.00093 0.03090 0.03859 -0.00281 189 4PX 0.01205 -0.11788 0.02355 -0.02715 -0.01050 190 4PY -0.01250 -0.02054 0.13084 -0.03485 -0.03947 191 4PZ 0.04819 -0.02451 -0.17350 0.15696 0.09106 192 5PX 0.00924 -0.09294 0.02234 -0.01913 -0.00860 193 5PY -0.01035 -0.01600 0.08708 -0.03689 -0.03102 194 5PZ 0.03649 -0.01918 -0.14227 0.11976 0.07338 91 92 93 94 95 V V V V V EIGENVALUES -- -0.03106 -0.00654 -0.00295 -0.00073 0.02094 1 1 Cu 1S -0.00009 0.00008 -0.00213 -0.00471 0.00105 2 2S 0.00044 0.00206 -0.04542 -0.10293 -0.08755 3 3S -0.00298 -0.01082 0.01097 -0.35191 -1.38252 4 4PX 0.05119 -0.05359 -0.00195 -0.00882 0.00693 5 4PY 0.01131 -0.00333 -0.04222 0.01757 -0.01657 6 4PZ 0.01109 -0.00933 0.02640 0.03918 -0.01983 7 5PX -0.14159 0.10637 -0.01721 0.02594 -0.04502 8 5PY -0.03855 -0.01050 0.14047 -0.04711 0.11187 9 5PZ -0.03401 0.01471 -0.05039 -0.08610 0.12260 10 6PX 0.65001 0.69866 -0.17310 0.04691 -0.17179 11 6PY 0.04954 -0.00709 0.60523 -0.05739 0.05559 12 6PZ 0.09783 0.09052 0.04514 -0.21312 -0.27030 13 7D 0 0.00504 0.01001 -0.03162 -0.05561 0.01281 14 7D+1 0.01516 0.02948 0.02086 0.00592 0.00021 15 7D-1 0.01781 0.01860 0.02117 0.00302 -0.00979 16 7D+2 -0.02754 -0.04101 0.05075 -0.04223 0.01574 17 7D-2 0.05041 0.06029 0.02450 -0.02409 0.00981 18 8D 0 0.00111 0.00296 -0.01089 -0.01730 0.00364 19 8D+1 0.00408 0.00849 0.00638 0.00247 0.00279 20 8D-1 0.00515 0.00584 0.00511 0.00163 -0.01025 21 8D+2 -0.00785 -0.01134 0.01185 -0.00881 0.00875 22 8D-2 0.01494 0.01801 0.00643 -0.00610 0.00666 23 2 Cu 1S 0.00003 -0.00003 -0.00069 0.00024 0.00208 24 2S -0.00117 -0.00131 -0.03140 -0.00150 0.05726 25 3S -0.01428 0.01725 -0.32916 0.33540 0.82473 26 4PX -0.01351 -0.04148 -0.00687 0.00292 -0.00737 27 4PY -0.00245 -0.00758 0.00094 -0.00082 0.00372 28 4PZ -0.00333 -0.00826 0.00935 0.01051 0.02802 29 5PX 0.03231 0.06054 -0.00031 -0.00367 0.01757 30 5PY 0.00540 0.00413 -0.00173 -0.00804 0.03108 31 5PZ 0.00814 0.00467 0.03746 -0.02214 -0.11606 32 6PX -0.27184 -0.30510 0.05554 -0.05613 -0.23863 33 6PY -0.03862 -0.01709 -0.31092 0.22114 1.51983 34 6PZ -0.06187 -0.07370 0.03579 0.04754 0.32196 35 7D 0 -0.00029 -0.00277 -0.02182 0.02436 -0.00698 36 7D+1 0.00624 -0.01475 -0.01431 0.00392 0.00125 37 7D-1 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0.02283 -0.05055 0.02388 0.02563 -0.00369 58 7D+1 -0.00541 -0.01164 -0.00130 -0.02056 -0.03090 59 7D-1 0.03408 0.01915 -0.02974 0.01705 -0.01985 60 7D+2 -0.03078 0.02100 -0.00875 -0.01968 0.01460 61 7D-2 0.02571 0.01725 0.03068 -0.00026 -0.01955 62 8D 0 0.00832 -0.01617 0.00792 0.00787 0.00242 63 8D+1 -0.00214 -0.00381 -0.00109 -0.00483 -0.00942 64 8D-1 0.00732 0.00486 -0.00958 0.00018 -0.00318 65 8D+2 -0.00948 0.00862 -0.00326 -0.00496 0.00623 66 8D-2 0.00623 0.00584 0.00819 -0.00018 -0.00914 67 4 Cu 1S -0.00553 0.00151 -0.00181 -0.00359 0.00101 68 2S -0.07323 -0.05369 0.01435 0.07002 0.00935 69 3S -0.12020 -0.21886 0.13149 0.09688 -0.38326 70 4PX -0.00739 0.00549 -0.04494 -0.02553 -0.02817 71 4PY -0.03750 -0.02136 -0.01025 -0.02849 0.02260 72 4PZ -0.02150 0.03491 0.00314 -0.02794 0.02363 73 5PX 0.06039 -0.10787 0.16583 0.08345 0.10695 74 5PY 0.16034 0.07133 -0.03016 0.11463 -0.03142 75 5PZ 0.08902 -0.15115 0.02618 0.14484 -0.07491 76 6PX -0.10234 -0.25264 0.19619 0.14193 0.50849 77 6PY 0.09342 0.10274 -0.13069 0.19785 -0.18439 78 6PZ 0.18284 -0.22350 0.08330 0.38801 0.10681 79 7D 0 -0.01596 0.03126 0.03027 0.02565 0.01684 80 7D+1 0.02111 -0.03881 -0.00834 -0.00635 0.02888 81 7D-1 -0.01580 -0.01488 -0.04312 0.01908 0.00057 82 7D+2 0.00212 -0.02393 0.00408 -0.01037 -0.01291 83 7D-2 0.04406 0.00793 -0.01595 -0.02540 0.03082 84 8D 0 -0.00674 0.00952 0.00998 0.00779 0.00770 85 8D+1 0.00595 -0.01335 -0.00321 -0.00093 0.00591 86 8D-1 -0.00277 -0.00464 -0.01353 0.00121 0.00347 87 8D+2 0.00199 -0.00855 -0.00037 -0.00290 -0.00399 88 8D-2 0.01163 0.00124 -0.00457 -0.00487 0.01169 89 5 Cu 1S 0.00339 -0.00274 0.00296 0.00361 0.00256 90 2S 0.02635 0.09087 -0.01487 0.03508 0.04070 91 3S -0.05177 0.02963 0.07835 -0.09808 -0.04973 92 4PX -0.02786 0.04890 -0.01982 -0.01657 -0.01754 93 4PY 0.03255 -0.01050 0.02917 -0.00827 -0.00094 94 4PZ 0.02054 0.03400 -0.01353 -0.01332 -0.01854 95 5PX 0.11709 -0.21870 0.08621 0.11540 0.08891 96 5PY -0.14119 0.02741 -0.14823 0.03605 0.05081 97 5PZ -0.07752 -0.14751 0.07651 0.09320 0.11230 98 6PX 0.16726 -0.44043 0.13828 0.16995 0.05983 99 6PY -0.22994 -0.03344 -0.38171 0.09547 0.15151 100 6PZ -0.19462 -0.34390 0.21135 0.25166 0.14027 101 7D 0 -0.03025 -0.01271 -0.00557 -0.00765 -0.02459 102 7D+1 0.01186 -0.00458 -0.02529 -0.04084 -0.00645 103 7D-1 0.00092 -0.00216 0.00387 0.01468 -0.02950 104 7D+2 -0.01166 0.01301 0.01927 0.00276 -0.00024 105 7D-2 -0.02153 0.01056 0.02645 -0.01108 -0.01192 106 8D 0 -0.00797 -0.00273 -0.00316 -0.00145 -0.00539 107 8D+1 0.00182 0.00161 -0.00700 -0.00949 -0.00095 108 8D-1 -0.00067 0.00090 0.00083 0.00413 -0.00747 109 8D+2 -0.00113 0.00448 0.00304 0.00036 0.00194 110 8D-2 -0.00605 0.00313 0.00410 -0.00104 -0.00530 111 6 Cu 1S 0.00017 0.00001 -0.00232 -0.00209 0.00159 112 2S 0.00697 -0.00917 0.09118 0.00520 0.00859 113 3S -0.00246 -0.00382 0.09675 -0.06590 -0.37064 114 4PX 0.04718 0.01353 0.00164 -0.01705 0.01331 115 4PY 0.01112 0.00309 0.03090 0.03927 -0.02952 116 4PZ 0.01130 0.00843 -0.03138 0.03316 -0.01647 117 5PX -0.16757 -0.09071 -0.01287 0.04900 -0.05214 118 5PY -0.03729 -0.01808 -0.12222 -0.10331 0.14716 119 5PZ -0.04323 -0.03716 0.13379 -0.08335 0.05061 120 6PX -0.10853 -0.13624 0.04671 0.04194 -0.04889 121 6PY -0.00713 0.03226 -0.45614 -0.09713 0.00100 122 6PZ -0.01329 -0.01397 0.15477 -0.02590 -0.04788 123 7D 0 0.01914 -0.00329 -0.01975 0.05382 -0.03042 124 7D+1 0.04782 -0.03415 0.01313 -0.00729 0.01562 125 7D-1 0.01092 0.00115 -0.02291 -0.01805 -0.03199 126 7D+2 -0.00856 -0.00783 0.02627 0.02237 0.01235 127 7D-2 -0.00827 0.03034 0.01825 0.01181 0.00917 128 8D 0 0.00493 -0.00004 -0.00294 0.01723 -0.00737 129 8D+1 0.01166 -0.00646 0.00182 -0.00334 0.00460 130 8D-1 0.00193 0.00033 -0.00378 -0.00421 -0.00978 131 8D+2 -0.00077 -0.00208 0.00422 0.00649 0.00272 132 8D-2 -0.00577 0.00774 0.00326 0.00329 0.00224 133 7 Cu 1S -0.00280 0.00255 0.00356 0.00294 0.00334 134 2S -0.02135 -0.08257 -0.03361 0.04569 0.04178 135 3S 0.02381 -0.06024 -0.00143 -0.08715 -0.09933 136 4PX 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0.00481 -0.00251 156 2S -0.00337 -0.01407 0.08378 -0.05081 0.07568 157 3S 0.03192 0.05031 -0.16840 -0.05062 0.39579 158 4PX 0.05472 0.01015 -0.00839 0.01835 -0.01080 159 4PY 0.01383 -0.00330 0.01053 -0.03666 0.00579 160 4PZ 0.01319 -0.00247 0.01952 -0.03799 0.02728 161 5PX -0.24173 -0.04631 0.01378 -0.08104 0.05811 162 5PY -0.06320 -0.00004 0.01623 0.15587 -0.03418 163 5PZ -0.05925 0.00441 -0.04048 0.16814 -0.13535 164 6PX -0.27373 -0.30037 0.05238 -0.17894 0.28625 165 6PY -0.07800 -0.03473 -0.09120 0.38913 -0.41174 166 6PZ -0.04870 0.00929 -0.19908 0.46477 -0.41241 167 7D 0 -0.01069 -0.00069 -0.01793 -0.00198 -0.00526 168 7D+1 -0.02269 -0.00578 0.01395 0.00550 -0.00926 169 7D-1 -0.01207 0.00705 -0.02931 -0.03263 0.02886 170 7D+2 0.01912 -0.01595 -0.00603 -0.01450 -0.00776 171 7D-2 -0.02499 0.02818 0.00901 -0.00192 -0.01289 172 8D 0 -0.00324 -0.00103 -0.00389 -0.00266 -0.00098 173 8D+1 -0.00694 -0.00215 0.00345 0.00244 -0.00297 174 8D-1 -0.00354 0.00124 -0.00862 -0.00684 0.00793 175 8D+2 0.00499 -0.00255 -0.00096 -0.00164 -0.00392 176 8D-2 -0.00604 0.00467 0.00251 0.00056 -0.00415 177 9 C 1S -0.00112 -0.00342 0.01757 -0.01663 -0.00324 178 2S 0.00311 0.01115 -0.06140 0.05633 0.02551 179 3S 0.00642 0.01567 -0.08306 0.08243 0.05318 180 4PX -0.30009 -0.10798 0.00170 0.01038 -0.03280 181 4PY -0.04564 -0.00926 -0.04230 0.06882 -0.02914 182 4PZ -0.06703 -0.01787 -0.04597 -0.01696 0.17336 183 5PX -0.18185 -0.07692 -0.00824 0.01033 -0.00792 184 5PY -0.02797 -0.01348 0.00940 0.02456 -0.09532 185 5PZ -0.04029 -0.01390 -0.02184 -0.00582 0.11112 186 10 O 1S 0.00004 -0.00087 0.00823 -0.00836 -0.02777 187 2S -0.00026 0.00224 -0.02278 0.02180 0.08156 188 3S 0.00034 0.00528 -0.04523 0.05317 0.13628 189 4PX 0.16386 0.07696 0.00393 -0.00636 0.01075 190 4PY 0.02475 0.00895 0.02131 -0.02309 0.01677 191 4PZ 0.03674 0.01378 0.00937 -0.00231 -0.05870 192 5PX 0.13865 0.05640 0.00149 -0.00547 0.01834 193 5PY 0.02131 0.00679 0.01518 -0.02304 -0.00697 194 5PZ 0.03107 0.00990 0.01617 0.00334 -0.07979 96 97 98 99 100 V V V V V EIGENVALUES -- 0.02438 0.02492 0.02681 0.03493 0.03576 1 1 Cu 1S 0.00022 0.00008 0.00011 -0.00176 -0.00135 2 2S 0.07322 0.07947 -0.00349 0.02716 0.01423 3 3S 1.04764 1.17363 -0.07952 0.80517 0.43647 4 4PX -0.00855 0.00149 -0.00536 0.00466 -0.00702 5 4PY 0.00882 0.00884 -0.00111 -0.00884 0.00103 6 4PZ 0.00604 0.00759 -0.00123 0.00440 0.01006 7 5PX 0.05082 0.00138 0.02809 -0.03357 0.04788 8 5PY -0.06487 -0.05512 -0.00610 0.05111 -0.02604 9 5PZ -0.03541 -0.04143 -0.00182 -0.02369 -0.01764 10 6PX 0.19922 -0.00414 1.59597 0.56604 -0.37618 11 6PY 0.00748 -0.10359 0.23486 -0.36599 0.34604 12 6PZ 0.16597 0.10448 0.24863 -0.11880 -0.38259 13 7D 0 -0.01100 -0.01501 0.00220 -0.01057 0.00058 14 7D+1 -0.00283 -0.00079 -0.00899 0.04267 -0.02706 15 7D-1 -0.00120 -0.00870 0.00513 -0.05398 0.02850 16 7D+2 -0.02304 -0.02368 -0.00303 0.04374 0.03040 17 7D-2 -0.01177 -0.00684 0.01492 0.02165 0.01605 18 8D 0 -0.00513 -0.00629 0.00011 -0.00296 -0.00112 19 8D+1 -0.00010 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-0.00977 -0.00699 0.01990 -0.00857 60 7D+2 -0.04189 0.02491 0.02398 0.01726 -0.01884 61 7D-2 -0.03152 -0.01369 -0.03226 -0.01737 -0.01703 62 8D 0 -0.00461 0.00128 -0.00165 0.00951 0.00225 63 8D+1 0.00007 0.00838 0.00669 0.00260 0.01299 64 8D-1 -0.00971 -0.00103 -0.00279 0.00378 -0.00203 65 8D+2 -0.01153 0.00392 0.00691 0.00549 -0.00312 66 8D-2 -0.00745 -0.00651 -0.00707 -0.00547 -0.00255 67 4 Cu 1S -0.00027 -0.00170 -0.00258 -0.00151 -0.00025 68 2S 0.00426 -0.00338 -0.05006 -0.02069 0.00830 69 3S 0.34080 0.43391 -0.38538 0.21190 0.40277 70 4PX -0.03085 -0.01876 -0.00595 -0.01132 0.01720 71 4PY 0.00886 0.01966 0.03858 0.02185 -0.01639 72 4PZ -0.00286 -0.01789 -0.01374 -0.00706 -0.00565 73 5PX 0.12664 0.08630 0.01271 0.01352 -0.09033 74 5PY -0.03030 -0.09064 -0.17999 -0.08357 0.07293 75 5PZ 0.00748 0.09708 0.05761 0.03304 0.03954 76 6PX 0.09313 -0.08374 -0.05569 -0.44270 -0.65922 77 6PY 0.02854 -0.18817 -0.42317 0.08311 0.04208 78 6PZ -0.25340 -0.04189 0.23527 -0.37652 -0.24982 79 7D 0 -0.01250 -0.01121 0.01361 0.00441 0.00163 80 7D+1 -0.01868 0.00984 0.01717 -0.04483 -0.02234 81 7D-1 -0.00779 -0.02631 -0.00394 0.01167 -0.00920 82 7D+2 0.02240 -0.05602 -0.00491 0.01826 -0.02006 83 7D-2 0.03233 0.01114 -0.03808 0.01480 0.01872 84 8D 0 -0.00365 -0.00346 0.00367 0.00208 0.00050 85 8D+1 -0.00630 0.00087 0.00218 -0.01192 -0.00552 86 8D-1 -0.00016 -0.00699 0.00066 0.00257 -0.00337 87 8D+2 0.00295 -0.01449 -0.00201 0.00339 -0.00064 88 8D-2 0.00801 0.00247 -0.00978 0.00590 0.00448 89 5 Cu 1S 0.00002 -0.00023 0.00302 -0.00032 -0.00172 90 2S -0.03294 -0.03265 0.02659 -0.10406 -0.11218 91 3S -0.15534 -0.15524 0.00088 -1.04201 -1.01858 92 4PX -0.00905 0.01761 0.00698 -0.00795 0.02874 93 4PY -0.06356 0.01532 -0.00040 0.01346 0.00539 94 4PZ -0.00850 -0.00971 -0.04213 0.02863 -0.00965 95 5PX 0.07749 -0.05056 -0.01963 0.08881 -0.08559 96 5PY 0.27941 -0.06811 -0.02189 -0.05723 0.00450 97 5PZ 0.05403 0.06471 0.19372 -0.10998 0.08531 98 6PX 0.37892 0.03512 -0.15131 1.00569 -0.15725 99 6PY 0.81669 -0.18225 -0.57131 -0.46188 0.14158 100 6PZ 0.34468 0.50795 0.18503 -0.10814 1.04924 101 7D 0 -0.00743 -0.01539 -0.00400 0.01349 -0.01448 102 7D+1 -0.01626 -0.02416 -0.00818 -0.02158 -0.00266 103 7D-1 -0.00939 -0.01322 0.02663 -0.01238 0.01337 104 7D+2 -0.03288 -0.00466 0.00662 -0.01637 0.00579 105 7D-2 -0.00291 0.02666 0.00282 0.00208 -0.02474 106 8D 0 -0.00136 -0.00183 0.00265 0.00063 -0.00076 107 8D+1 -0.00457 -0.00733 0.00025 -0.00996 -0.00413 108 8D-1 0.00148 -0.00356 0.00327 -0.00193 -0.00048 109 8D+2 -0.00751 -0.00429 0.00053 -0.00456 -0.00212 110 8D-2 0.00523 0.00380 0.00220 -0.00155 -0.00460 111 6 Cu 1S -0.00089 -0.00014 -0.00009 0.00339 -0.00454 112 2S -0.03213 -0.02907 -0.00266 0.02177 -0.04284 113 3S -0.09434 -0.07633 -0.05676 0.12716 -0.15554 114 4PX 0.03091 -0.01820 -0.03122 -0.00974 0.01889 115 4PY -0.00332 -0.01711 -0.00698 -0.01160 0.01586 116 4PZ -0.00615 -0.01511 -0.00894 0.00532 -0.03083 117 5PX -0.14991 0.08527 0.11376 0.05009 -0.07832 118 5PY 0.03224 0.10893 0.02371 0.06629 -0.09664 119 5PZ 0.02024 0.05911 0.02927 -0.08879 0.15930 120 6PX -0.45957 0.20790 0.33129 -0.06101 -0.23341 121 6PY 0.35841 0.68876 0.01987 1.06873 -0.43930 122 6PZ 0.05423 0.18755 0.09029 0.00623 0.46295 123 7D 0 0.01382 0.01520 0.01705 -0.01509 0.01325 124 7D+1 -0.00451 0.00123 0.05746 -0.00242 -0.00241 125 7D-1 0.01599 0.01568 0.01451 0.04643 -0.03001 126 7D+2 0.01963 0.04300 -0.02795 0.00553 -0.01439 127 7D-2 0.03323 -0.01108 0.03748 -0.00799 0.00187 128 8D 0 0.00437 0.00415 0.00283 -0.00640 0.00250 129 8D+1 -0.00010 -0.00057 0.01074 0.00114 -0.00070 130 8D-1 0.00338 0.00419 0.00304 0.01015 -0.00557 131 8D+2 0.00695 0.01108 -0.00666 0.00179 -0.00221 132 8D-2 0.00553 0.00038 0.01093 -0.00031 -0.00111 133 7 Cu 1S -0.00030 -0.00009 -0.00254 -0.00158 -0.00045 134 2S -0.02491 -0.02916 -0.02328 -0.11902 -0.09587 135 3S -0.05997 -0.08051 -0.05058 -1.03645 -0.96151 136 4PX -0.02236 0.03073 -0.00669 -0.01884 -0.00920 137 4PY 0.01494 -0.05262 0.00107 0.01043 0.00177 138 4PZ -0.01796 0.00059 0.03609 0.01185 0.00446 139 5PX 0.07370 -0.16974 0.02060 0.02326 -0.01105 140 5PY -0.07022 0.22159 0.02633 -0.05048 -0.00977 141 5PZ 0.08866 0.00082 -0.16090 -0.04203 -0.01040 142 6PX -0.01945 -0.77357 -0.24659 -0.63496 -0.34388 143 6PY -0.25041 0.62970 0.48302 -0.38831 -0.42272 144 6PZ 0.48685 0.20519 -0.26534 0.21094 0.20289 145 7D 0 0.00450 0.00051 0.00341 0.00686 0.01068 146 7D+1 0.02832 0.01485 -0.00082 0.02147 -0.01662 147 7D-1 -0.00712 -0.01013 -0.02811 -0.01762 0.03334 148 7D+2 0.00668 -0.03320 -0.00994 -0.01647 -0.01009 149 7D-2 -0.01846 -0.02180 0.01212 -0.00551 0.00749 150 8D 0 0.00286 0.00046 -0.00101 0.00408 0.00356 151 8D+1 0.00552 0.00370 0.00214 0.00736 -0.00005 152 8D-1 -0.00235 -0.00028 -0.00286 -0.00112 0.00472 153 8D+2 -0.00324 -0.00385 -0.00363 -0.00817 -0.00438 154 8D-2 -0.00436 -0.00950 0.00252 -0.00201 0.00031 155 8 Cu 1S -0.00162 -0.00239 0.00024 -0.00112 0.00054 156 2S -0.07534 -0.09903 0.01976 0.03152 0.01227 157 3S -0.44412 -0.56119 0.17807 0.26766 -0.25556 158 4PX 0.02170 -0.02436 0.04188 0.00054 -0.00731 159 4PY 0.00082 -0.00348 0.00736 0.03034 -0.01412 160 4PZ 0.02575 0.01514 0.01183 -0.01614 0.02651 161 5PX -0.09730 0.11000 -0.21923 -0.00308 0.02958 162 5PY -0.01488 0.00642 -0.04843 -0.13289 0.08550 163 5PZ -0.12397 -0.07904 -0.06505 0.03554 -0.10836 164 6PX -0.40241 0.22255 -1.16970 -0.17092 0.27334 165 6PY 0.19180 0.28876 -0.29054 -1.15368 0.34825 166 6PZ -0.22975 -0.00791 -0.33845 0.69515 -0.36940 167 7D 0 0.00645 0.01670 0.01523 -0.02457 0.00509 168 7D+1 -0.01647 0.00884 0.02764 0.01876 -0.01962 169 7D-1 0.01016 0.00996 0.01356 0.01450 -0.01597 170 7D+2 0.00513 0.01618 -0.02178 -0.01263 0.00048 171 7D-2 0.02506 -0.01624 0.02672 -0.00554 0.00481 172 8D 0 -0.00137 0.00144 0.00223 0.00135 -0.00097 173 8D+1 -0.00249 0.00379 0.00398 0.00038 -0.00129 174 8D-1 0.00031 0.00139 0.00253 0.00413 -0.00384 175 8D+2 0.00276 0.00359 -0.00416 -0.00035 -0.00005 176 8D-2 0.00289 0.00041 0.00321 -0.00039 0.00099 177 9 C 1S -0.00435 -0.00406 0.00023 0.01365 -0.00205 178 2S 0.00959 0.00936 0.00046 -0.02120 0.02337 179 3S 0.00092 -0.00458 -0.00039 -0.11997 -0.01872 180 4PX 0.16016 -0.16300 0.12551 0.01247 -0.00990 181 4PY -0.02459 -0.09619 0.02185 -0.01121 0.06989 182 4PZ 0.14014 0.11025 0.02986 0.01605 -0.08847 183 5PX 0.12094 -0.12036 0.09122 0.01873 0.00346 184 5PY -0.00781 -0.06015 0.00863 -0.03381 -0.00182 185 5PZ 0.08666 0.06388 0.01964 0.00857 -0.10690 186 10 O 1S 0.01244 0.01280 -0.00165 -0.01404 -0.01467 187 2S -0.03487 -0.03581 0.00493 0.04152 0.04359 188 3S -0.07003 -0.07182 0.00741 0.07522 0.07226 189 4PX -0.05797 0.06111 -0.04129 -0.00595 0.00306 190 4PY 0.00678 0.03434 -0.00767 0.02305 -0.01820 191 4PZ -0.05954 -0.04959 -0.00848 -0.01129 0.02603 192 5PX -0.06750 0.06212 -0.04525 -0.00480 0.00524 193 5PY 0.01924 0.04939 -0.00968 0.00740 -0.02864 194 5PZ -0.04967 -0.03717 -0.01162 -0.01106 0.03298 101 102 103 104 105 V V V V V EIGENVALUES -- 0.03711 0.03913 0.04359 0.04421 0.04993 1 1 Cu 1S -0.00034 -0.00173 0.00038 -0.00147 0.00096 2 2S 0.00302 0.12034 0.00708 -0.03796 0.01445 3 3S 0.02314 1.91928 0.06080 -0.56842 0.09029 4 4PX 0.00743 -0.00550 0.00102 -0.00600 -0.04141 5 4PY 0.00504 -0.00022 -0.00253 0.01174 -0.01386 6 4PZ 0.00768 0.02630 -0.00187 0.00440 -0.01267 7 5PX -0.05995 0.05472 0.02107 0.01798 0.23163 8 5PY -0.04752 -0.01023 0.01341 -0.01802 0.05401 9 5PZ -0.04073 -0.28135 0.00860 0.04493 0.05851 10 6PX 0.72264 -0.20434 0.71051 1.22052 7.06192 11 6PY 0.25742 0.24026 0.57206 -1.87419 1.34855 12 6PZ -0.06187 0.15484 0.32776 -0.19085 1.52639 13 7D 0 0.02786 0.00096 0.00933 0.01193 -0.01048 14 7D+1 0.04247 -0.00291 0.04188 -0.00374 -0.01975 15 7D-1 0.03814 0.00793 -0.00531 0.03727 -0.01295 16 7D+2 0.00170 0.01373 0.00001 0.02930 0.02019 17 7D-2 -0.03523 0.00366 -0.03045 -0.00565 -0.03948 18 8D 0 0.00640 0.00061 0.00384 0.00661 -0.00326 19 8D+1 0.01075 -0.00207 0.01693 -0.00182 -0.00705 20 8D-1 0.01023 0.00567 -0.00179 0.01484 -0.00478 21 8D+2 0.00070 0.00163 -0.00008 0.01088 0.00596 22 8D-2 -0.00670 -0.00084 -0.01214 -0.00262 -0.01207 23 2 Cu 1S -0.00072 0.00091 -0.00019 0.00125 -0.00013 24 2S -0.01523 0.01907 -0.00957 0.06573 -0.01376 25 3S 0.28028 0.95070 -0.03579 0.39449 -0.13348 26 4PX 0.00361 0.00179 0.00386 0.00626 0.02068 27 4PY 0.00771 -0.00178 0.00120 -0.00194 0.00698 28 4PZ -0.01080 -0.01402 0.00393 -0.01695 0.00679 29 5PX -0.03381 0.01953 0.01217 -0.03965 -0.01200 30 5PY -0.05667 -0.03436 -0.01408 0.11593 -0.04547 31 5PZ 0.03521 -0.04173 -0.01625 0.10197 -0.02806 32 6PX -0.66750 -0.11135 0.01883 -0.04870 -2.18606 33 6PY -0.07796 0.40423 0.00412 0.45416 -0.15518 34 6PZ 0.20864 0.48627 0.15612 -1.11890 -0.34655 35 7D 0 -0.01628 0.01435 0.01410 0.00022 -0.00143 36 7D+1 0.00085 0.00710 0.03970 0.00622 -0.00354 37 7D-1 -0.01263 -0.03228 0.00700 -0.01176 0.00168 38 7D+2 0.01192 0.02374 -0.00156 -0.01667 -0.00249 39 7D-2 0.01677 0.01342 -0.01361 -0.00469 0.00337 40 8D 0 -0.00189 -0.00027 0.00492 -0.00250 0.00017 41 8D+1 0.00226 0.00191 0.01367 0.00252 0.00055 42 8D-1 -0.00263 -0.00624 0.00258 -0.00282 0.00182 43 8D+2 0.00092 0.00301 -0.00062 -0.00701 -0.00176 44 8D-2 0.00124 0.00222 -0.00360 -0.00181 0.00422 45 3 Cu 1S -0.00214 0.00058 -0.00089 0.00132 0.00102 46 2S -0.02219 -0.08732 0.18474 -0.06127 -0.05110 47 3S -0.15012 -1.39663 2.42213 -0.82291 -1.09603 48 4PX 0.00511 0.04080 -0.00614 -0.00449 0.00830 49 4PY -0.02761 -0.01493 -0.00286 -0.00437 -0.01097 50 4PZ -0.01887 0.00496 -0.00112 -0.00357 -0.00569 51 5PX -0.04911 -0.12819 -0.09674 0.04418 0.02309 52 5PY 0.12572 0.10086 -0.01666 -0.02582 0.07207 53 5PZ 0.09436 -0.13266 0.09280 -0.01925 0.05380 54 6PX -0.36050 -0.24177 -0.90475 0.19458 -0.69733 55 6PY 0.24344 -0.03670 -0.35479 0.26198 -0.84329 56 6PZ 0.41839 -0.70132 0.73126 -0.64636 -1.49570 57 7D 0 0.00467 -0.02735 -0.00115 0.01178 -0.01384 58 7D+1 -0.02940 0.02267 0.00863 0.01817 0.00925 59 7D-1 -0.01385 0.01508 -0.01165 -0.00456 -0.03062 60 7D+2 0.00169 -0.01778 0.02232 0.02173 -0.00675 61 7D-2 -0.01178 0.01985 0.00831 0.03029 0.00444 62 8D 0 0.00041 -0.00519 -0.00139 0.00349 0.00034 63 8D+1 -0.00477 0.01145 0.00296 0.00425 0.00165 64 8D-1 -0.00283 0.00406 -0.00736 0.00186 -0.00721 65 8D+2 0.00222 -0.00404 0.01117 0.00830 -0.00354 66 8D-2 -0.00019 0.00533 0.00052 0.01030 -0.00298 67 4 Cu 1S 0.00522 0.00026 0.00051 0.00099 -0.00124 68 2S 0.05083 -0.09027 -0.16109 -0.10457 0.06900 69 3S 0.31335 -1.40328 -2.12014 -1.35026 1.28692 70 4PX 0.00082 -0.03105 -0.00773 0.00501 0.00243 71 4PY 0.00919 -0.03164 0.00193 -0.00076 0.01496 72 4PZ 0.03214 -0.01020 -0.00046 -0.00255 0.01321 73 5PX -0.03191 0.12194 -0.05238 -0.02828 0.05872 74 5PY -0.06365 0.16410 -0.00181 -0.04277 -0.04993 75 5PZ -0.18331 -0.07403 -0.10829 -0.06296 -0.04993 76 6PX -0.46109 0.47701 -0.59814 -0.48446 -1.30661 77 6PY -0.59921 0.21959 -0.06601 0.25747 0.46202 78 6PZ -1.10592 -0.49550 -0.73028 -0.64303 1.36326 79 7D 0 -0.04917 -0.03332 0.00285 0.00774 0.01658 80 7D+1 -0.02776 -0.00467 -0.00347 -0.00736 -0.00472 81 7D-1 -0.02826 0.00254 0.01588 -0.00613 0.02725 82 7D+2 -0.00539 0.00354 -0.02948 0.03335 0.00323 83 7D-2 -0.00429 -0.02513 -0.01284 -0.00691 -0.00553 84 8D 0 -0.01002 -0.01052 0.00101 0.00194 0.00109 85 8D+1 -0.00664 -0.00589 -0.00303 -0.00157 0.00235 86 8D-1 -0.00611 -0.00119 0.00605 0.00142 0.00557 87 8D+2 -0.00155 0.00364 -0.01117 0.01243 0.00315 88 8D-2 -0.00238 -0.00530 -0.00821 -0.00457 -0.00184 89 5 Cu 1S 0.00102 0.00192 0.00045 -0.00072 0.00337 90 2S -0.00412 0.04264 -0.11974 -0.01392 -0.04123 91 3S -0.17519 0.26675 -1.57560 -0.21922 -1.53408 92 4PX -0.01453 -0.00166 -0.00245 0.00910 0.01436 93 4PY 0.00214 0.01045 -0.00739 0.00628 -0.02545 94 4PZ 0.01227 -0.01501 0.01176 0.00172 -0.01243 95 5PX 0.07560 0.06114 0.07049 -0.04700 -0.02769 96 5PY -0.01384 -0.04807 0.00312 0.00141 0.12974 97 5PZ -0.06019 0.04286 0.04510 -0.02926 0.09747 98 6PX 0.44965 0.72444 0.65130 0.12477 0.75565 99 6PY -0.46717 0.13451 -0.46537 0.05527 -1.90172 100 6PZ -0.54167 -0.36013 0.51572 -0.03493 -1.80422 101 7D 0 0.03224 0.04788 -0.02589 0.00309 0.02637 102 7D+1 -0.00148 -0.03166 -0.01420 -0.00018 0.01838 103 7D-1 0.02848 -0.01192 0.01912 -0.01243 -0.00080 104 7D+2 0.00027 -0.02317 0.00265 -0.01100 0.00144 105 7D-2 -0.00711 0.01474 0.01475 -0.01402 0.04405 106 8D 0 0.00414 0.01310 -0.00800 0.00211 0.00494 107 8D+1 -0.00051 -0.00568 -0.00976 -0.00014 0.00068 108 8D-1 0.00416 -0.00441 0.00656 -0.00464 -0.00033 109 8D+2 0.00059 -0.00505 -0.00151 -0.00277 -0.00049 110 8D-2 -0.00060 0.00395 0.00463 -0.00554 0.00794 111 6 Cu 1S -0.00302 -0.00244 0.00041 -0.00134 0.00025 112 2S -0.02203 -0.02284 -0.02931 0.21592 -0.01275 113 3S -0.08431 -0.47736 -0.40550 3.07108 -0.17222 114 4PX -0.03165 -0.00573 -0.01265 0.00098 -0.01597 115 4PY 0.00330 0.04072 -0.00058 -0.01531 -0.00239 116 4PZ -0.02533 0.00041 -0.00105 -0.00029 -0.00509 117 5PX 0.12854 0.03230 -0.02463 -0.01018 0.08086 118 5PY -0.03154 -0.16058 0.00920 -0.07826 0.02856 119 5PZ 0.13723 -0.05876 -0.01600 0.08178 0.02311 120 6PX 0.60277 0.17982 -0.40652 -0.52336 -0.24118 121 6PY -0.34765 -0.67388 -0.14868 0.00549 -0.01157 122 6PZ 0.47157 -0.26053 -0.44943 1.78285 -0.22809 123 7D 0 0.00996 -0.02789 -0.00359 0.01175 -0.01774 124 7D+1 0.00011 0.01101 -0.00255 -0.01131 -0.03965 125 7D-1 -0.02886 0.00466 0.01004 0.00143 -0.00334 126 7D+2 -0.00410 0.02495 -0.01476 -0.01664 0.00396 127 7D-2 -0.00213 0.00855 0.04606 0.00191 0.01497 128 8D 0 0.00296 -0.00452 -0.00049 0.00337 -0.00363 129 8D+1 -0.00043 0.00128 -0.00044 -0.00538 -0.00828 130 8D-1 -0.00455 0.00620 0.00317 0.00028 -0.00113 131 8D+2 -0.00224 0.00775 -0.00423 -0.01243 0.00192 132 8D-2 0.00282 0.00151 0.01595 -0.00242 0.00208 133 7 Cu 1S -0.00116 0.00207 -0.00003 -0.00149 -0.00319 134 2S -0.01210 0.04617 0.11597 0.02866 0.03468 135 3S -0.02573 0.26221 1.54004 0.52520 1.37800 136 4PX -0.01283 0.00576 0.00263 -0.01105 0.00323 137 4PY -0.01326 0.01190 0.00635 0.00875 0.03102 138 4PZ -0.03929 -0.01259 -0.01048 -0.00154 0.01564 139 5PX 0.04169 -0.06494 0.06193 0.08527 0.03329 140 5PY 0.07826 -0.07599 0.01676 0.01532 -0.14089 141 5PZ 0.18915 0.01175 -0.01964 -0.03762 -0.08838 142 6PX 0.10992 -0.56784 0.64133 0.00266 -0.44681 143 6PY 0.84668 -0.17389 0.52742 0.44022 1.58249 144 6PZ 1.21411 -0.68973 -0.34308 0.07005 1.61463 145 7D 0 -0.02663 0.05910 0.01251 0.00483 -0.01983 146 7D+1 0.01310 -0.00715 -0.02119 -0.00786 0.01407 147 7D-1 0.00686 -0.01108 -0.01954 -0.01119 0.01800 148 7D+2 -0.00610 -0.01390 -0.00039 -0.02359 -0.02408 149 7D-2 0.01770 -0.02618 0.01254 0.01430 0.01849 150 8D 0 -0.00239 0.01452 0.00128 0.00161 -0.00556 151 8D+1 -0.00013 -0.00304 -0.00921 -0.00418 0.00120 152 8D-1 -0.00167 -0.00504 -0.00727 -0.00475 0.00339 153 8D+2 -0.00147 -0.00195 0.00261 -0.00621 -0.00267 154 8D-2 0.00234 -0.00548 0.00673 0.00683 0.00439 155 8 Cu 1S 0.00044 0.00290 0.00039 -0.00228 0.00001 156 2S -0.00283 0.04251 0.01080 -0.09358 -0.00387 157 3S -0.13509 0.15920 0.08010 -0.86273 0.12789 158 4PX 0.00189 0.00090 -0.00597 -0.00552 -0.03354 159 4PY -0.01422 -0.00921 0.00102 -0.00746 -0.00243 160 4PZ 0.01792 -0.01040 -0.00566 0.01966 -0.00711 161 5PX -0.02254 -0.01265 0.03409 -0.00326 0.15261 162 5PY 0.06868 0.09238 -0.00675 0.05779 -0.00751 163 5PZ -0.06600 0.04938 0.01920 -0.00185 0.02556 164 6PX -0.45432 0.00842 0.08910 -0.32626 -1.28002 165 6PY 0.37966 0.68389 0.08699 -0.25895 -0.16604 166 6PZ -0.49006 -0.27345 -0.21904 1.36258 -0.31765 167 7D 0 0.03074 0.02793 0.00747 -0.05621 0.00765 168 7D+1 0.03592 -0.00060 -0.00748 0.02066 0.00287 169 7D-1 -0.00382 -0.04072 0.00265 -0.00609 0.01134 170 7D+2 -0.00188 0.01830 0.00187 -0.01483 -0.01785 171 7D-2 -0.00657 0.01655 0.00517 0.00034 0.04505 172 8D 0 0.00195 0.00706 0.00184 -0.01620 0.00187 173 8D+1 0.00570 -0.00003 -0.00199 0.00810 0.00162 174 8D-1 -0.00214 -0.01016 0.00120 -0.00632 0.00306 175 8D+2 -0.00100 0.00399 0.00005 -0.00119 -0.00484 176 8D-2 -0.00018 0.00386 0.00112 0.00268 0.00931 177 9 C 1S -0.00510 -0.00630 -0.00070 0.00554 -0.00045 178 2S 0.01802 0.02993 0.00188 -0.01579 0.00161 179 3S 0.02491 0.00676 0.00448 -0.01551 0.00445 180 4PX -0.00754 -0.00878 -0.00302 -0.00353 -0.01812 181 4PY 0.03333 0.03509 0.00401 -0.03711 0.00063 182 4PZ -0.03792 -0.01881 -0.00615 0.05584 -0.00164 183 5PX 0.01267 0.01254 -0.00605 -0.00977 -0.01568 184 5PY 0.00564 -0.06104 -0.00447 -0.00255 -0.01907 185 5PZ -0.04508 -0.03643 -0.00697 0.05071 -0.00624 186 10 O 1S -0.00280 -0.00397 -0.00025 -0.00099 -0.00209 187 2S 0.00849 0.01452 0.00088 0.00288 0.00651 188 3S 0.01119 0.00180 -0.00020 0.00817 0.00729 189 4PX 0.00033 0.00246 -0.00617 -0.00835 -0.03764 190 4PY -0.01621 -0.02366 -0.00104 -0.00223 -0.00886 191 4PZ 0.01453 0.01863 -0.00548 0.02395 -0.01043 192 5PX 0.00082 0.00430 0.00077 -0.00038 0.00251 193 5PY -0.01534 -0.01715 -0.00157 0.00648 -0.00348 194 5PZ 0.01552 0.00572 -0.00027 -0.00699 -0.00270 106 107 108 109 110 V V V V V EIGENVALUES -- 0.05397 0.05606 0.06870 0.06988 0.07691 1 1 Cu 1S 0.00472 -0.00156 -0.00052 -0.00014 0.00299 2 2S 0.11512 0.00423 -0.00017 0.01040 0.08468 3 3S 1.08204 0.28469 -0.03218 0.09604 1.06343 4 4PX 0.01718 0.00279 0.06361 -0.03240 0.00356 5 4PY -0.02175 -0.04208 -0.02858 -0.05128 0.03596 6 4PZ -0.02486 0.04101 -0.00830 -0.02867 -0.03817 7 5PX -0.11028 -0.03311 -0.45447 0.24067 -0.03122 8 5PY 0.14381 0.25111 0.18615 0.35485 -0.28415 9 5PZ 0.11339 -0.20435 0.06152 0.20833 0.24346 10 6PX -1.66115 -0.28484 1.72791 -1.54006 -0.85020 11 6PY 1.74533 3.85265 0.31149 0.84385 4.52692 12 6PZ 2.51507 -2.57848 -0.04400 -0.39691 0.58643 13 7D 0 -0.03134 0.01125 0.00374 0.01946 0.04081 14 7D+1 0.00495 -0.00672 -0.02195 0.02246 -0.01692 15 7D-1 0.02968 0.00035 -0.01223 0.01340 -0.02067 16 7D+2 -0.00277 -0.01027 0.04863 0.00823 -0.02896 17 7D-2 -0.00301 -0.00458 -0.02981 0.04934 -0.01091 18 8D 0 -0.00626 0.00431 0.00023 0.00147 0.00484 19 8D+1 0.00052 -0.00249 -0.00042 0.00257 -0.00338 20 8D-1 0.00542 -0.00045 -0.00341 0.00025 0.00092 21 8D+2 -0.00562 -0.00589 0.00808 0.00161 -0.00759 22 8D-2 -0.00172 -0.00230 -0.00457 0.00836 -0.00259 23 2 Cu 1S -0.00330 -0.00003 0.00250 0.00250 0.00078 24 2S -0.09784 -0.02942 0.05216 0.05164 -0.00677 25 3S 0.08910 0.33204 0.36425 0.58464 0.56855 26 4PX -0.00368 -0.00301 0.03917 -0.04528 0.00315 27 4PY 0.01631 0.00628 0.02265 0.00991 -0.00859 28 4PZ 0.00557 0.01942 0.00850 -0.00529 0.00110 29 5PX 0.01709 0.02710 -0.31120 0.33429 -0.01500 30 5PY -0.15213 -0.05907 -0.11865 -0.01926 -0.02284 31 5PZ -0.06065 -0.16947 -0.07016 0.03172 -0.00271 32 6PX -0.25579 -0.26442 -1.07608 0.05004 -1.04335 33 6PY 1.95167 0.82571 -1.02051 -0.69349 -0.24762 34 6PZ -0.19203 0.45817 1.92289 2.67105 2.16507 35 7D 0 0.00491 0.03325 -0.02351 -0.03306 0.00738 36 7D+1 0.00244 -0.01442 0.00970 -0.01527 0.00150 37 7D-1 -0.01863 0.01325 0.04740 0.02834 -0.04026 38 7D+2 0.00503 -0.01036 -0.05433 -0.02066 0.01376 39 7D-2 0.00909 -0.00488 0.02359 -0.06272 0.01730 40 8D 0 -0.00184 0.00770 -0.00643 -0.00864 0.00159 41 8D+1 -0.00006 -0.00429 -0.00007 -0.00437 0.00200 42 8D-1 0.00093 0.00402 0.01232 0.00966 -0.00910 43 8D+2 0.00013 -0.00591 -0.01686 -0.01190 0.00478 44 8D-2 -0.00008 -0.00289 0.00116 -0.01530 0.00400 45 3 Cu 1S -0.00010 0.00057 -0.00370 -0.00116 -0.00210 46 2S 0.03312 -0.01887 0.00425 -0.03192 -0.01539 47 3S 0.48385 -0.25121 0.84920 -0.16395 0.02216 48 4PX -0.01055 -0.00597 -0.01303 0.00469 -0.05848 49 4PY -0.00706 0.00327 -0.00307 0.02714 0.01214 50 4PZ 0.01605 -0.03125 0.05531 -0.00689 -0.01197 51 5PX 0.02912 0.00751 -0.03936 0.03219 0.33540 52 5PY 0.07292 0.02569 -0.01269 -0.14407 -0.11028 53 5PZ -0.08598 0.12939 -0.28747 0.04991 0.09446 54 6PX 0.43013 1.20787 -1.26427 0.22906 0.00465 55 6PY -0.46308 -0.90848 -0.98817 -0.52560 -0.95021 56 6PZ 0.95187 -0.11706 -0.97744 -0.21627 0.65979 57 7D 0 0.01320 -0.00934 0.02334 -0.01751 -0.03430 58 7D+1 0.00058 0.02412 -0.01088 -0.00980 -0.00285 59 7D-1 -0.01177 -0.01359 -0.02551 -0.00739 0.01832 60 7D+2 -0.01515 -0.00458 -0.00268 0.02068 0.01793 61 7D-2 0.02665 0.01456 0.00249 0.00629 -0.01654 62 8D 0 0.00110 -0.00249 0.00620 -0.00130 -0.00686 63 8D+1 -0.00189 0.00308 -0.00637 -0.00266 -0.00020 64 8D-1 -0.00481 -0.00250 -0.00647 -0.00024 0.00157 65 8D+2 -0.00045 -0.00035 0.00134 0.00335 0.00687 66 8D-2 0.00307 0.00259 -0.00047 -0.00036 -0.00471 67 4 Cu 1S 0.00014 0.00047 -0.00067 -0.00409 -0.00200 68 2S 0.02660 -0.02379 -0.03246 -0.00469 -0.01633 69 3S 0.24279 -0.36027 -0.29751 0.74698 -0.09661 70 4PX 0.00520 0.01410 -0.01183 -0.00475 0.04728 71 4PY -0.00404 0.00762 0.01966 -0.00259 0.03632 72 4PZ 0.01323 -0.03013 -0.01585 0.05396 0.00378 73 5PX -0.04432 -0.06665 -0.00646 0.11620 -0.28767 74 5PY 0.05575 0.00974 -0.12608 0.02386 -0.24744 75 5PZ -0.06603 0.12450 0.07442 -0.25091 0.01197 76 6PX -0.13824 -0.65223 -0.19223 1.68524 1.70225 77 6PY -0.75820 -1.30297 0.26034 -0.38228 -2.20328 78 6PZ 0.48415 -0.46574 -0.30298 -0.44032 0.45609 79 7D 0 0.00557 -0.02048 -0.00930 0.02509 -0.02926 80 7D+1 -0.00052 -0.00531 0.02459 0.00645 0.02433 81 7D-1 -0.02975 -0.02318 0.00398 -0.02498 0.02088 82 7D+2 0.00869 0.01121 0.00867 -0.00405 0.01648 83 7D-2 -0.02303 -0.00492 0.01113 0.00459 0.01613 84 8D 0 0.00179 -0.00392 -0.00035 0.00895 -0.00526 85 8D+1 0.00209 0.00012 0.00284 0.00405 0.00441 86 8D-1 -0.00663 -0.00370 0.00169 -0.00481 0.00319 87 8D+2 0.00036 0.00173 0.00061 -0.00125 0.00243 88 8D-2 -0.00060 -0.00086 0.00175 0.00288 0.00744 89 5 Cu 1S -0.00052 -0.00021 -0.00212 -0.00065 0.00045 90 2S -0.01871 0.05311 0.00029 -0.03694 -0.01926 91 3S -0.15219 0.96292 0.83040 -0.48730 -0.39416 92 4PX -0.00782 -0.02571 -0.06248 0.03584 0.01939 93 4PY 0.00964 -0.00075 0.02065 0.01380 -0.03100 94 4PZ -0.00639 0.01737 -0.03314 0.02258 0.02589 95 5PX 0.01950 0.11589 0.24220 -0.18226 -0.06782 96 5PY -0.04003 0.01272 -0.14204 -0.07674 0.17786 97 5PZ 0.03020 -0.15039 0.13657 -0.08962 -0.12520 98 6PX 0.12732 -1.28774 0.06533 0.60202 0.50344 99 6PY -1.11689 -0.71883 0.73141 1.19419 -0.62501 100 6PZ -0.35634 1.33884 -1.49607 0.09126 0.27904 101 7D 0 -0.00327 -0.02737 0.01360 0.01199 0.00051 102 7D+1 0.03708 -0.01696 0.02166 -0.00297 0.01443 103 7D-1 0.01125 0.02153 -0.01412 -0.02208 0.00377 104 7D+2 -0.01832 0.03052 0.01513 0.02287 -0.01800 105 7D-2 0.03656 0.01992 -0.01713 -0.00029 0.00265 106 8D 0 0.00028 -0.00533 -0.00315 0.00081 -0.00173 107 8D+1 0.00743 -0.00020 0.01050 -0.00355 0.00187 108 8D-1 0.00061 0.00363 -0.00048 -0.00652 0.00309 109 8D+2 0.00171 0.00881 0.00744 0.00331 -0.00516 110 8D-2 0.00413 0.00333 -0.00608 0.00034 0.00268 111 6 Cu 1S -0.00021 0.00123 0.00082 0.00102 -0.00180 112 2S 0.01990 0.00605 0.02710 0.03727 0.02673 113 3S 0.39232 -0.36704 0.22237 0.32046 0.68516 114 4PX 0.00086 0.00598 -0.00284 0.01443 0.01131 115 4PY 0.00793 0.01475 -0.00549 -0.00393 -0.06315 116 4PZ -0.00447 -0.04466 -0.02348 -0.02234 0.01853 117 5PX -0.02871 -0.04253 -0.02200 -0.06843 -0.06580 118 5PY 0.02751 -0.03612 0.04281 0.04762 0.31431 119 5PZ 0.06091 0.24298 0.13617 0.15042 -0.03485 120 6PX 0.42344 0.12752 -0.26561 0.14542 -0.06209 121 6PY -0.72103 0.19543 0.81961 0.67403 -2.92191 122 6PZ -1.13518 -1.43124 0.77061 0.47633 -2.53058 123 7D 0 0.00013 -0.01059 -0.01423 -0.02427 -0.02196 124 7D+1 0.00526 -0.00380 0.01710 -0.01098 -0.00220 125 7D-1 0.01761 0.04931 0.00977 0.01290 0.01843 126 7D+2 0.01210 0.00709 -0.00293 -0.00397 -0.02464 127 7D-2 -0.00049 -0.00609 -0.01345 -0.00168 -0.00607 128 8D 0 0.00320 -0.00089 -0.00325 -0.00567 0.00105 129 8D+1 -0.00097 -0.00104 0.00493 -0.00443 -0.00315 130 8D-1 0.00675 0.01132 0.00493 0.00427 0.00172 131 8D+2 0.00212 0.00326 -0.00172 0.00022 -0.01172 132 8D-2 -0.00101 -0.00076 -0.00046 -0.00307 -0.00501 133 7 Cu 1S 0.00020 -0.00020 -0.00051 -0.00252 0.00143 134 2S -0.03875 0.05031 -0.03422 -0.00717 -0.02376 135 3S -0.77608 0.83037 -0.56293 0.78237 -0.83400 136 4PX -0.00117 0.01268 -0.04886 0.05524 -0.01737 137 4PY 0.00229 0.00526 -0.00626 0.03824 -0.04347 138 4PZ -0.00584 0.02559 0.00606 -0.01116 0.01859 139 5PX -0.01193 -0.04392 0.22955 -0.19708 0.02467 140 5PY -0.00645 -0.01355 0.03108 -0.19413 0.21740 141 5PZ 0.04378 -0.18291 -0.00249 0.05852 -0.08617 142 6PX 0.39611 0.91154 -0.97828 0.22442 -0.97527 143 6PY -1.34963 -0.33345 0.94392 0.72705 0.31299 144 6PZ -0.59454 1.69847 -0.20382 -1.57364 0.30121 145 7D 0 -0.02149 -0.01012 0.01940 0.00470 -0.01051 146 7D+1 -0.02634 0.03329 0.00720 -0.01966 -0.00691 147 7D-1 -0.02011 0.02403 -0.01273 -0.01576 -0.01310 148 7D+2 0.02922 0.03189 0.01269 0.01395 -0.01172 149 7D-2 -0.03965 -0.00642 0.01771 0.02700 -0.00912 150 8D 0 -0.00177 -0.00267 0.00485 -0.00692 -0.00239 151 8D+1 -0.00343 0.00525 0.00461 -0.00452 -0.00061 152 8D-1 -0.00363 0.00363 -0.00424 -0.00099 -0.00038 153 8D+2 0.00661 0.00851 0.00024 0.00570 -0.00150 154 8D-2 -0.00321 0.00099 0.00155 0.00986 -0.00685 155 8 Cu 1S 0.00108 0.00161 0.00005 0.00085 -0.00020 156 2S -0.07815 -0.01877 -0.05035 -0.06204 -0.04553 157 3S -1.37324 -0.99664 -1.19197 -1.67473 -1.04228 158 4PX -0.00570 -0.00975 -0.02929 -0.00333 -0.00384 159 4PY 0.03089 0.01868 0.04414 0.05394 -0.00956 160 4PZ 0.00645 0.02495 0.01840 0.02656 0.00636 161 5PX 0.00888 0.02865 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0.02061 0.01072 0.01481 -0.00150 0.02596 182 4PZ 0.06188 0.02302 -0.06511 -0.08647 0.01002 183 5PX 0.03634 0.01500 0.08896 -0.05683 0.03462 184 5PY -0.11953 -0.05841 0.04491 0.00435 -0.00638 185 5PZ 0.00388 0.01638 -0.05231 -0.09072 -0.03412 186 10 O 1S -0.01194 -0.01017 -0.00744 -0.00996 -0.00296 187 2S 0.04015 0.03110 0.02039 0.02839 0.00999 188 3S 0.02197 0.04141 0.05417 0.06327 0.00188 189 4PX 0.01058 0.00189 -0.02827 0.02515 0.01159 190 4PY -0.02992 -0.00889 0.02090 0.03030 -0.00309 191 4PZ -0.01118 -0.00576 -0.00451 0.00175 -0.03384 192 5PX 0.00764 0.00313 -0.03942 0.02532 0.00036 193 5PY -0.03679 -0.01356 0.00719 0.01557 -0.02181 194 5PZ -0.03017 -0.01862 0.01704 0.02707 -0.01268 111 112 113 114 115 V V V V V EIGENVALUES -- 0.07783 0.08119 0.08556 0.08567 0.08952 1 1 Cu 1S 0.00073 0.00015 -0.00070 0.00020 0.00166 2 2S 0.02223 -0.00653 0.04153 -0.01877 -0.03158 3 3S 0.28571 -0.12784 0.74144 -0.32010 -0.84310 4 4PX -0.00052 0.00149 0.01239 0.00330 -0.00777 5 4PY 0.00830 -0.00373 -0.01570 0.00959 0.02846 6 4PZ -0.00993 0.00175 -0.02426 0.01273 0.01217 7 5PX 0.03597 0.05952 -0.07415 0.01477 0.00547 8 5PY -0.06103 0.04276 0.17752 -0.10020 -0.05662 9 5PZ 0.06717 0.00974 0.15211 -0.07867 -0.03672 10 6PX -2.80308 -3.57652 -0.41917 -2.91048 -1.05484 11 6PY 1.45866 -0.14806 -2.79702 1.13732 0.28871 12 6PZ -0.17686 -0.36752 -1.23427 -0.05974 2.76598 13 7D 0 0.01137 -0.00443 0.03436 -0.01798 -0.02413 14 7D+1 -0.00202 -0.00239 -0.00898 -0.00273 -0.00125 15 7D-1 -0.00437 0.00013 -0.00438 -0.00254 -0.00783 16 7D+2 -0.01018 0.00140 0.02773 -0.00732 -0.04859 17 7D-2 -0.00108 -0.00131 0.00553 -0.01528 -0.01858 18 8D 0 0.00147 -0.00145 0.00859 -0.00468 -0.00345 19 8D+1 -0.00038 -0.00236 -0.00250 -0.00058 -0.00149 20 8D-1 -0.00017 -0.00137 -0.00395 0.00022 -0.00142 21 8D+2 -0.00172 0.00274 0.00479 0.00051 -0.01417 22 8D-2 -0.00283 -0.00455 -0.00118 -0.00593 -0.00521 23 2 Cu 1S 0.00021 0.00009 0.00054 -0.00017 -0.00193 24 2S -0.00117 0.00405 0.05396 -0.02451 -0.05249 25 3S 0.25597 0.12670 0.57623 -0.24987 0.79385 26 4PX 0.00193 0.00866 0.00613 0.01636 0.00120 27 4PY -0.00112 0.00213 0.00931 -0.00035 -0.01744 28 4PZ -0.00040 0.00368 -0.01268 0.00810 0.02547 29 5PX -0.00521 -0.04541 -0.04265 -0.06823 -0.02394 30 5PY -0.01763 0.00088 -0.01293 -0.02480 0.20810 31 5PZ 0.00175 -0.02220 0.13863 -0.07646 -0.18607 32 6PX 3.53599 8.77112 0.22151 -2.80603 -0.03046 33 6PY 0.86967 1.52903 0.25002 -0.51774 0.51826 34 6PZ 1.12951 2.06194 -4.78180 1.81147 0.52948 35 7D 0 0.01107 -0.00579 -0.00163 0.00487 0.02810 36 7D+1 0.02425 -0.01478 -0.00052 0.01305 0.00401 37 7D-1 -0.00818 0.00622 -0.00662 0.00685 -0.02044 38 7D+2 -0.00036 -0.00546 -0.03998 0.01177 0.04207 39 7D-2 -0.00468 0.01575 -0.00854 0.01386 0.02046 40 8D 0 0.00039 -0.00061 -0.00344 0.00268 0.00498 41 8D+1 0.00068 -0.00053 -0.00032 0.00354 0.00157 42 8D-1 -0.00219 0.00146 0.00483 -0.00089 -0.00443 43 8D+2 0.00063 -0.00121 -0.01180 0.00271 0.01139 44 8D-2 0.00008 0.00033 -0.00310 0.00623 0.00521 45 3 Cu 1S -0.00106 0.00088 -0.00080 -0.00040 0.00109 46 2S -0.01438 -0.01863 -0.01725 -0.02826 0.00906 47 3S -0.18776 -0.72174 -0.34044 -0.78120 0.45379 48 4PX -0.01029 0.00160 -0.03216 0.00730 0.01717 49 4PY 0.00875 -0.01173 -0.00016 -0.00018 0.00766 50 4PZ -0.00347 -0.00011 0.01506 -0.01296 -0.01490 51 5PX 0.07129 0.04385 0.18137 -0.05559 -0.10500 52 5PY -0.03300 0.08535 -0.00275 0.02471 -0.03102 53 5PZ 0.04851 0.00783 -0.09915 0.05467 0.09741 54 6PX -1.78942 -0.91902 1.09432 4.74374 -1.11607 55 6PY -3.72803 4.58341 2.66766 -4.66086 1.88945 56 6PZ -0.83972 0.14655 2.23760 5.48659 -1.97668 57 7D 0 -0.00810 0.00986 0.00020 0.03210 -0.01941 58 7D+1 0.00319 -0.00801 -0.00459 -0.01564 -0.00600 59 7D-1 -0.00734 -0.00378 -0.00703 -0.02236 0.00454 60 7D+2 0.02742 -0.00410 0.01073 -0.03327 -0.00694 61 7D-2 0.02286 -0.01787 -0.02204 0.01197 -0.02121 62 8D 0 -0.00069 0.00417 -0.00315 0.00339 -0.00112 63 8D+1 0.00075 -0.00021 -0.00181 -0.00087 -0.00075 64 8D-1 -0.00165 -0.00250 -0.00053 -0.00213 0.00187 65 8D+2 0.00318 -0.00284 0.00185 -0.00403 0.00103 66 8D-2 0.00045 -0.00208 -0.00282 0.00146 -0.00434 67 4 Cu 1S -0.00013 -0.00112 -0.00055 0.00096 0.00113 68 2S 0.00207 0.01325 0.01207 0.02821 0.00730 69 3S 0.08897 0.76092 0.49351 0.63221 0.33281 70 4PX 0.02074 -0.01072 0.01626 -0.01498 -0.01307 71 4PY 0.00284 0.01124 0.00437 -0.00704 0.00369 72 4PZ 0.00255 -0.00159 0.02712 -0.00995 -0.02114 73 5PX -0.09688 0.12014 -0.08855 0.06811 0.06339 74 5PY -0.03857 -0.05924 -0.04026 0.02299 -0.01975 75 5PZ -0.02739 0.02246 -0.14977 0.06946 0.12599 76 6PX -2.89777 0.90435 1.88748 4.65656 1.34391 77 6PY 1.63447 -5.12386 5.25400 2.46713 2.51973 78 6PZ 0.40626 -0.18714 -1.89141 -3.52396 -1.85632 79 7D 0 -0.00840 -0.00636 -0.02581 -0.02246 -0.01469 80 7D+1 -0.00594 0.00234 0.00976 0.00010 0.00809 81 7D-1 0.01932 -0.00670 0.02105 0.01501 0.01584 82 7D+2 -0.02190 0.01668 0.01446 0.02165 -0.01959 83 7D-2 0.00287 -0.01248 0.03210 -0.00432 0.00811 84 8D 0 -0.00216 -0.00164 -0.00408 -0.00061 -0.00065 85 8D+1 0.00112 0.00217 0.00383 -0.00190 -0.00034 86 8D-1 0.00317 0.00209 0.00309 0.00074 0.00353 87 8D+2 -0.00015 0.00349 0.00159 0.00287 -0.00179 88 8D-2 0.00091 -0.00062 0.00416 -0.00095 0.00283 89 5 Cu 1S 0.00107 0.00138 -0.00161 0.00027 0.00146 90 2S -0.01304 -0.03285 -0.01417 -0.03946 0.04238 91 3S -0.48938 -1.18904 0.05032 -1.21035 1.16363 92 4PX 0.00371 -0.00185 0.00314 -0.00884 -0.00106 93 4PY -0.01651 -0.00443 0.01866 -0.01822 -0.02524 94 4PZ 0.00325 -0.00393 -0.00045 -0.00348 0.00114 95 5PX 0.00934 0.03868 -0.02696 0.07793 -0.01921 96 5PY 0.10541 0.05526 -0.12796 0.13266 0.21835 97 5PZ 0.01670 0.04675 -0.00656 0.02285 -0.00624 98 6PX 0.09905 -1.09582 -1.00673 -2.70902 0.96514 99 6PY 2.59059 2.71949 -2.06976 -0.39330 -1.37785 100 6PZ 0.95166 0.01602 1.62775 1.58569 -1.69253 101 7D 0 -0.00794 0.01279 -0.00052 -0.01751 -0.00268 102 7D+1 -0.00346 0.01177 0.00481 0.02359 -0.00536 103 7D-1 -0.02265 -0.00538 0.00196 0.01599 0.00625 104 7D+2 -0.00382 0.02865 0.01242 0.00089 -0.00576 105 7D-2 0.00023 -0.00418 0.00820 -0.00899 0.02124 106 8D 0 -0.00063 0.00252 0.00048 0.00071 -0.00296 107 8D+1 -0.00110 0.00080 0.00247 0.00091 -0.00167 108 8D-1 -0.00114 -0.00097 -0.00103 0.00088 0.00112 109 8D+2 -0.00108 0.00238 0.00233 -0.00131 0.00056 110 8D-2 0.00219 0.00203 -0.00137 0.00109 0.00236 111 6 Cu 1S -0.00028 0.00018 -0.00065 0.00039 -0.00092 112 2S 0.00732 0.00713 -0.06131 0.03050 -0.02280 113 3S 0.14000 0.11324 -1.75357 0.84850 -0.42233 114 4PX -0.01135 0.00731 0.01024 -0.00098 -0.00012 115 4PY -0.01664 0.00363 -0.00869 0.00580 -0.01169 116 4PZ 0.00438 -0.00028 -0.02220 0.01406 0.01044 117 5PX 0.04035 -0.02449 -0.06445 0.00093 -0.00248 118 5PY 0.08240 -0.01991 0.08243 -0.04899 0.03612 119 5PZ -0.01043 0.01205 0.10354 -0.07325 -0.03142 120 6PX 4.50844 -3.43313 -0.33844 2.38260 -1.10839 121 6PY -0.17248 -0.75071 1.10968 -0.24574 1.59028 122 6PZ -0.13376 -0.88777 3.52183 -1.53613 4.78704 123 7D 0 -0.00057 0.00419 -0.01553 0.00109 0.04886 124 7D+1 0.01032 0.01327 -0.00958 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4 Cu 1S 0.00082 -0.00052 0.00050 0.00248 0.00341 68 2S -0.03680 -0.05188 0.01565 0.04007 0.04460 69 3S -0.64514 -0.31517 0.59439 0.51023 0.74850 70 4PX -0.04566 -0.00181 0.03837 0.01468 -0.00297 71 4PY 0.03664 -0.00925 -0.01287 0.00062 -0.05827 72 4PZ -0.00527 -0.01097 -0.01626 -0.01564 0.00707 73 5PX 0.30832 0.02048 -0.26508 -0.12961 0.00316 74 5PY -0.26016 0.07814 0.11102 0.01551 0.46189 75 5PZ 0.01957 0.03406 0.17772 0.10253 -0.03738 76 6PX -0.97590 -0.84036 1.97276 0.15182 -1.41353 77 6PY 1.11825 -3.41330 2.24104 0.42598 -1.47322 78 6PZ 0.51266 0.79170 0.11313 -0.51544 1.26319 79 7D 0 0.01672 0.02419 -0.01851 -0.02620 -0.01577 80 7D+1 -0.00872 -0.00083 0.00855 0.02448 -0.01503 81 7D-1 0.01690 0.01394 0.00484 -0.00963 -0.01040 82 7D+2 -0.01313 0.03104 0.00744 -0.05215 0.02238 83 7D-2 0.03342 0.00194 -0.02255 -0.01400 0.03174 84 8D 0 0.00339 0.00529 -0.00282 -0.00596 -0.00443 85 8D+1 -0.00269 0.00051 0.00146 0.00575 -0.00473 86 8D-1 0.00346 0.00484 0.00074 -0.00391 -0.00248 87 8D+2 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5PZ -0.00105 -0.11809 -0.04958 -0.06633 -0.41692 10 6PX 1.39149 -2.85214 15.66383 -0.72482 -0.56279 11 6PY 3.39607 10.62478 -0.16451 -2.69227 0.98795 12 6PZ 1.12554 2.28248 2.28583 0.99491 1.84338 13 7D 0 -0.02167 0.03925 0.00415 0.02114 -0.02587 14 7D+1 -0.09388 -0.00302 0.00410 -0.01905 0.00625 15 7D-1 0.00335 0.06344 0.00905 0.00768 0.02335 16 7D+2 0.00121 0.00073 -0.02627 -0.04631 0.00590 17 7D-2 0.03914 -0.02218 0.03618 -0.02548 -0.00204 18 8D 0 -0.00540 0.01279 0.00226 0.00531 -0.00260 19 8D+1 -0.02659 -0.00143 0.00435 -0.00633 -0.00057 20 8D-1 0.00132 0.01917 0.00206 0.00429 0.00810 21 8D+2 0.00062 0.00096 -0.00516 -0.01409 -0.00137 22 8D-2 0.01129 -0.00596 0.00610 -0.00805 -0.00228 23 2 Cu 1S -0.00066 -0.00327 -0.00167 -0.00661 -0.00908 24 2S -0.00123 -0.01843 -0.01042 0.07505 -0.08531 25 3S 0.51855 1.80223 -0.37039 5.56163 0.15925 26 4PX -0.00258 0.00562 -0.03861 -0.00024 -0.00638 27 4PY 0.00000 0.00183 -0.00598 0.01463 -0.03581 28 4PZ -0.00863 -0.03545 -0.00315 0.00610 0.06720 29 5PX 0.01146 -0.04462 0.43150 0.17534 0.16769 30 5PY -0.00332 -0.00853 -0.02458 -0.85870 0.10467 31 5PZ 0.06148 0.28242 0.01577 -0.31438 -0.96804 32 6PX -1.42493 -0.63184 -6.99428 0.30782 -0.29336 33 6PY 0.04315 0.77723 -1.02461 2.48839 -0.56338 34 6PZ 0.25029 1.71395 -1.77432 -0.78617 2.17704 35 7D 0 -0.00172 -0.01615 -0.00898 -0.06453 0.00615 36 7D+1 0.00574 0.00740 -0.01304 0.00235 0.00515 37 7D-1 -0.00505 -0.02046 0.00464 0.08778 -0.01327 38 7D+2 0.00512 0.01717 -0.00029 -0.03180 -0.00474 39 7D-2 -0.00713 0.01502 0.00350 -0.02901 -0.00072 40 8D 0 -0.00172 -0.00579 -0.00253 -0.02402 -0.00105 41 8D+1 -0.00051 0.00138 -0.00481 -0.00692 0.00021 42 8D-1 -0.00087 -0.00310 0.00300 0.04368 -0.00076 43 8D+2 -0.00034 -0.00108 -0.00339 -0.03817 -0.00720 44 8D-2 -0.00117 0.00128 0.00168 -0.02286 -0.00284 45 3 Cu 1S 0.00318 0.00006 -0.00018 -0.00455 0.00899 46 2S 0.06096 0.01529 -0.01791 -0.03430 0.05264 47 3S 1.08231 0.58661 -1.52791 -0.91975 0.48712 48 4PX -0.01772 0.00391 0.00008 -0.00440 -0.04048 49 4PY 0.03066 -0.02797 -0.00435 -0.00367 0.00623 50 4PZ 0.05876 0.01128 -0.01214 -0.01497 -0.04481 51 5PX 0.09644 -0.03735 0.04915 0.04418 0.57659 52 5PY -0.27166 0.26998 0.08090 0.08421 -0.08659 53 5PZ -0.46289 -0.06728 0.11414 0.18864 0.59010 54 6PX -0.88527 1.20860 -1.87476 -0.59533 -0.92755 55 6PY -0.72473 -3.16140 -1.28424 1.86249 -0.80327 56 6PZ 1.39847 1.70351 -2.60345 -0.34842 -0.28955 57 7D 0 -0.01049 -0.01274 0.01500 0.00909 0.06643 58 7D+1 0.05219 0.01136 -0.01807 -0.00311 0.08327 59 7D-1 -0.00478 -0.01904 0.00495 -0.04204 -0.02769 60 7D+2 -0.02045 -0.01452 0.02002 0.03552 0.03051 61 7D-2 -0.00729 -0.00847 -0.01309 -0.00216 -0.01741 62 8D 0 -0.00374 -0.00198 0.00595 0.00526 0.01658 63 8D+1 0.01339 0.00172 -0.00410 -0.00168 0.02476 64 8D-1 -0.00269 -0.00230 0.00274 -0.00407 -0.00814 65 8D+2 -0.00483 -0.00109 0.00225 0.00608 0.01098 66 8D-2 -0.00319 -0.00357 -0.00210 0.00575 -0.00471 67 4 Cu 1S -0.00293 0.00121 -0.00183 -0.00400 0.00877 68 2S -0.05121 0.04055 0.00752 -0.03308 0.05023 69 3S -0.75556 1.07620 1.11935 -1.10155 0.40547 70 4PX 0.01401 -0.00530 -0.00472 0.01404 0.05210 71 4PY -0.04069 -0.00357 0.00681 -0.00660 0.01363 72 4PZ -0.05024 0.03609 0.00395 -0.01447 -0.02756 73 5PX -0.15814 0.05432 0.10469 -0.17954 -0.72677 74 5PY 0.35433 0.06192 -0.07506 0.13972 -0.20162 75 5PZ 0.38763 -0.25430 0.01246 0.17654 0.33881 76 6PX -0.78106 -0.19797 -2.63635 0.51411 1.30886 77 6PY -1.30943 -2.53404 1.92348 1.55144 -0.68998 78 6PZ -0.81131 1.72163 1.38448 -0.44718 0.09684 79 7D 0 0.03056 -0.03653 -0.01801 0.02064 0.01278 80 7D+1 0.03411 -0.01513 0.00381 0.01907 -0.08346 81 7D-1 0.01181 -0.02896 -0.02054 -0.02448 -0.04038 82 7D+2 0.00065 -0.02167 0.00045 0.01274 0.03035 83 7D-2 -0.00378 0.00092 -0.01380 0.04028 0.05729 84 8D 0 0.00925 -0.00824 -0.00388 0.00786 0.00117 85 8D+1 0.00815 -0.00371 0.00314 0.00232 -0.02224 86 8D-1 0.00555 -0.00458 -0.00282 -0.00200 -0.01205 87 8D+2 0.00144 -0.00493 0.00124 0.00599 0.01101 88 8D-2 -0.00181 0.00238 -0.00411 0.00197 0.01810 89 5 Cu 1S -0.00067 -0.00214 0.00031 -0.01005 -0.00618 90 2S -0.01875 -0.00495 -0.03778 -0.05543 -0.03633 91 3S -0.61754 0.77425 -2.45120 -0.81564 -0.69621 92 4PX 0.05514 0.01951 0.01138 0.00545 0.02513 93 4PY -0.00465 0.00172 0.01536 -0.06986 0.04745 94 4PZ -0.05753 -0.02133 0.01560 -0.02703 -0.06136 95 5PX -0.47126 -0.21749 -0.09055 -0.11060 -0.28951 96 5PY 0.03838 0.02730 -0.13314 0.91969 -0.69700 97 5PZ 0.51203 0.19350 -0.11665 0.39151 0.93161 98 6PX 0.74883 -0.64935 1.34841 0.79168 0.83837 99 6PY -1.12771 -0.89539 -3.50153 -0.61234 0.85123 100 6PZ -1.11474 0.26900 -3.13616 -0.42459 -0.98883 101 7D 0 -0.00718 0.01322 -0.00685 -0.00573 -0.08167 102 7D+1 0.01264 -0.00466 0.00907 -0.00587 -0.02459 103 7D-1 -0.02099 -0.00504 -0.01691 -0.00869 0.04320 104 7D+2 0.00641 0.00810 0.03169 0.04810 0.01282 105 7D-2 -0.00584 -0.00813 -0.02360 -0.03181 0.03819 106 8D 0 0.00123 0.00354 -0.00192 -0.00729 -0.01537 107 8D+1 0.00205 -0.00052 -0.00237 0.00062 -0.00431 108 8D-1 -0.00466 -0.00315 -0.00391 -0.00904 0.01064 109 8D+2 0.00037 0.00277 0.00568 0.01082 0.00321 110 8D-2 -0.00175 -0.00442 -0.00633 -0.00634 0.00731 111 6 Cu 1S -0.00094 -0.00377 -0.00127 -0.00588 0.00832 112 2S -0.01564 -0.06101 -0.00141 0.00139 0.06760 113 3S -0.45506 -1.78984 0.40352 0.51338 0.93738 114 4PX 0.07285 -0.01174 0.00287 -0.00515 0.00012 115 4PY 0.01774 0.00710 0.00151 0.01259 0.00773 116 4PZ 0.00258 -0.06239 0.00559 0.00132 -0.02153 117 5PX -0.62231 0.11464 -0.07479 0.05455 -0.02058 118 5PY -0.15254 -0.04530 -0.04956 -0.14488 -0.06529 119 5PZ -0.04569 0.47206 -0.04225 0.05456 0.33111 120 6PX 1.38280 1.53423 0.06545 -0.57670 0.13496 121 6PY -0.61769 -2.39194 0.81464 0.36926 -0.75305 122 6PZ -1.38986 -5.43793 1.05862 1.74441 -0.54855 123 7D 0 -0.00104 0.00285 0.01844 0.00958 0.04175 124 7D+1 0.00530 0.01832 0.04374 -0.01712 -0.03515 125 7D-1 -0.01780 -0.05698 0.01645 0.01978 0.05666 126 7D+2 0.00464 -0.00767 -0.01345 -0.01167 -0.02825 127 7D-2 -0.01578 0.01802 -0.00284 -0.01272 -0.02855 128 8D 0 -0.00130 0.00066 0.00210 -0.00018 0.00735 129 8D+1 0.00016 0.00660 0.00634 -0.00058 -0.00839 130 8D-1 -0.00669 -0.01814 0.00129 -0.00075 0.01796 131 8D+2 0.00337 0.00032 -0.00295 0.00271 -0.00306 132 8D-2 -0.00559 0.00752 0.00253 -0.00008 -0.00677 133 7 Cu 1S -0.00075 -0.00219 -0.00339 -0.00918 -0.00612 134 2S 0.01214 -0.01134 0.02497 -0.05581 -0.03338 135 3S 0.90543 0.26318 2.13629 -0.95048 -0.71320 136 4PX 0.01977 -0.01811 0.02293 0.02178 -0.02056 137 4PY 0.01404 -0.01919 -0.02230 -0.06381 0.04239 138 4PZ 0.05565 -0.05486 -0.00655 -0.02173 -0.06611 139 5PX -0.14731 0.16559 -0.17256 -0.26061 0.21563 140 5PY -0.09009 0.20585 0.27691 0.88909 -0.65109 141 5PZ -0.48139 0.50351 0.05939 0.34438 0.96865 142 6PX 0.35049 0.64601 -1.26101 -0.20232 -0.73966 143 6PY 0.81684 -0.85046 3.47855 -1.33880 0.69225 144 6PZ 1.42602 -0.01092 2.65454 -1.05929 -1.19633 145 7D 0 0.01579 0.00660 0.00216 0.00164 -0.05329 146 7D+1 -0.00168 0.00141 -0.01134 0.01797 0.05493 147 7D-1 0.01493 -0.00689 0.00857 0.01400 0.04499 148 7D+2 0.00158 -0.00325 0.00042 0.01292 0.02840 149 7D-2 -0.00739 0.01751 -0.03994 0.06242 -0.04055 150 8D 0 0.00134 0.00279 -0.00414 -0.00535 -0.01015 151 8D+1 0.00053 -0.00034 -0.00340 0.00882 0.00930 152 8D-1 0.00309 -0.00301 -0.00016 -0.00269 0.01038 153 8D+2 0.00054 -0.00158 0.00078 0.00117 0.00671 154 8D-2 -0.00017 0.00599 -0.00707 0.01763 -0.00834 155 8 Cu 1S -0.00066 -0.00197 -0.00084 -0.01489 -0.00451 156 2S -0.00812 -0.03048 0.01177 -0.04731 -0.03992 157 3S -0.35084 -1.63291 1.18563 0.67437 -1.05798 158 4PX -0.00651 0.00558 0.10688 -0.00678 0.01001 159 4PY -0.01417 -0.05222 0.02763 -0.00040 0.00183 160 4PZ 0.01771 0.07939 0.01752 -0.01722 -0.03787 161 5PX 0.05071 -0.06079 -1.14301 0.08952 -0.15151 162 5PY 0.11408 0.45215 -0.35744 -0.13916 -0.00046 163 5PZ -0.16134 -0.67242 -0.21183 0.17291 0.59802 164 6PX -0.65158 0.23644 -1.42889 0.14337 0.08401 165 6PY 0.20294 0.89278 -0.67143 -0.43959 0.60551 166 6PZ -0.71337 -1.62411 0.36856 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186 10 O 1S -0.00041 0.00080 0.00107 0.01317 0.00861 187 2S 0.00272 0.00399 -0.00011 0.00392 -0.01123 188 3S -0.00977 -0.05379 -0.02580 -0.35325 -0.14653 189 4PX 0.00829 0.00685 0.05895 -0.00513 0.01365 190 4PY -0.00588 -0.02899 0.00818 -0.00977 0.00857 191 4PZ 0.00350 0.00572 0.01134 0.01327 -0.07866 192 5PX 0.00663 0.00287 0.02478 -0.02389 0.01112 193 5PY -0.00449 -0.02747 0.01051 0.08194 0.01200 194 5PZ 0.00304 0.00890 0.00544 0.03647 -0.06977 126 127 128 129 130 V V V V V EIGENVALUES -- 0.20181 0.20551 0.22152 0.24269 0.25628 1 1 Cu 1S -0.01342 -0.00531 0.01510 0.00112 -0.00842 2 2S -0.10695 -0.04231 0.03206 0.00521 0.04432 3 3S -2.78766 -1.01234 -0.37770 0.02849 5.29332 4 4PX -0.00532 -0.00739 -0.01413 -0.07461 0.01326 5 4PY -0.01661 -0.00857 0.05013 -0.01493 0.02651 6 4PZ 0.06840 0.02534 0.03999 -0.00582 -0.03059 7 5PX 0.03421 0.03595 0.29146 1.35059 -0.47371 8 5PY 0.38370 0.16691 -1.03286 0.23623 -0.11073 9 5PZ -0.75028 -0.28915 -0.63608 0.11146 0.92062 10 6PX 0.01386 0.42154 -0.91257 -0.66065 -2.24700 11 6PY -1.78255 -0.58862 3.73023 -0.52304 7.43344 12 6PZ 3.15909 1.36678 1.11594 -0.00471 1.28550 13 7D 0 0.06089 0.01917 0.01106 -0.00105 -0.08758 14 7D+1 -0.00595 -0.00478 0.01525 -0.01268 0.03185 15 7D-1 -0.03658 -0.01475 -0.04013 -0.01355 0.00931 16 7D+2 0.01918 0.00374 0.04008 0.01656 0.01273 17 7D-2 0.01752 0.01379 0.03165 -0.03577 0.00767 18 8D 0 0.01859 0.00542 0.00562 -0.00041 -0.03831 19 8D+1 0.00010 -0.00343 0.00396 -0.00621 0.01303 20 8D-1 -0.01315 -0.00537 -0.00752 -0.00587 0.00751 21 8D+2 0.00902 0.00207 0.01726 0.00833 -0.00290 22 8D-2 0.00594 0.00587 0.01010 -0.01574 0.00027 23 2 Cu 1S 0.03363 0.01162 -0.03963 -0.00229 0.02969 24 2S 0.20864 0.07527 -0.30063 -0.02104 0.25621 25 3S -2.79354 -0.82545 2.65335 -0.22314 4.84351 26 4PX -0.00358 0.02381 0.02728 -0.02474 -0.01696 27 4PY 0.02587 0.01238 -0.07606 -0.00644 0.00682 28 4PZ -0.05244 -0.00984 -0.06372 -0.01022 0.00455 29 5PX -0.20777 -0.47147 0.00533 0.50596 0.04042 30 5PY 0.56062 0.13578 -0.38459 0.03405 0.74394 31 5PZ 1.32176 0.35501 0.21466 0.16427 0.35173 32 6PX 0.42503 -0.08382 -0.34310 -1.77290 -0.57791 33 6PY -0.89253 -0.29140 1.50381 -0.31283 0.06668 34 6PZ -1.51807 -0.51580 0.90544 -0.40449 1.26025 35 7D 0 -0.00528 -0.03435 0.01873 -0.00306 -0.02413 36 7D+1 0.04267 -0.08209 0.00677 -0.01368 0.00629 37 7D-1 0.02021 -0.00367 -0.02180 0.00217 0.03269 38 7D+2 0.05045 0.02566 0.05293 -0.00183 0.02464 39 7D-2 0.00566 0.03126 0.02162 0.02497 0.00931 40 8D 0 0.01824 -0.00069 -0.01134 -0.00048 -0.00331 41 8D+1 0.01385 -0.01508 -0.00058 -0.00183 0.00533 42 8D-1 -0.02268 -0.01010 0.01541 0.00191 0.00231 43 8D+2 0.03927 0.01521 -0.00817 -0.00232 0.01870 44 8D-2 0.01759 0.01068 -0.00594 0.00778 0.00861 45 3 Cu 1S -0.00567 -0.00102 0.00204 -0.00412 0.00864 46 2S -0.00644 0.00343 0.05695 -0.01306 0.06883 47 3S 1.34793 0.03625 0.17340 0.22910 1.55777 48 4PX 0.00839 -0.03338 0.01614 0.05950 0.02589 49 4PY 0.04610 -0.06759 0.01648 -0.03081 -0.04379 50 4PZ 0.00603 -0.02541 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-0.02857 0.06278 -0.00334 71 4PY -0.00631 0.06369 0.00641 0.06134 -0.03870 72 4PZ -0.00082 0.00159 0.00260 -0.04668 -0.00648 73 5PX -0.14089 0.89663 0.25232 -1.30238 -0.18642 74 5PY 0.00425 -0.98471 0.28591 -1.10534 0.72618 75 5PZ 0.04271 0.04489 -0.12168 0.90461 0.32092 76 6PX 0.74554 -1.90016 -0.56583 2.02996 -0.38621 77 6PY 0.12938 2.34711 -1.30966 2.38750 -1.91246 78 6PZ 0.58519 0.63078 0.58575 -1.73637 0.53645 79 7D 0 -0.04225 -0.01327 -0.05484 0.07513 0.01654 80 7D+1 -0.01604 0.01047 -0.00432 -0.01713 -0.02557 81 7D-1 -0.01256 -0.03975 0.00150 -0.03625 -0.00853 82 7D+2 -0.05864 0.07666 -0.05385 -0.04534 -0.03869 83 7D-2 0.01744 0.00800 -0.01600 -0.02553 0.06009 84 8D 0 -0.01850 -0.00713 -0.00325 0.02888 -0.00115 85 8D+1 -0.00461 0.00195 -0.00285 -0.00974 -0.00790 86 8D-1 -0.00722 -0.01398 0.00737 -0.01286 -0.00017 87 8D+2 -0.02252 0.01829 -0.00500 -0.01446 -0.01804 88 8D-2 -0.01077 -0.00497 0.01866 -0.01079 0.01137 89 5 Cu 1S -0.00299 -0.00046 0.00559 0.00324 0.00336 90 2S 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-0.01183 110 8D-2 -0.00798 0.00366 -0.00448 0.00606 0.00074 111 6 Cu 1S -0.00229 -0.00062 -0.00338 -0.00012 0.01064 112 2S 0.00361 0.00215 -0.03301 -0.00053 0.01506 113 3S 0.72360 0.24270 -0.93096 -0.04834 -0.65179 114 4PX -0.01810 0.09125 0.01914 0.02234 0.02251 115 4PY -0.03477 0.00675 -0.06179 -0.00006 -0.04008 116 4PZ -0.03690 0.00831 -0.03050 0.00406 -0.05267 117 5PX 0.24743 -1.27639 -0.28454 -0.66630 -0.65085 118 5PY 0.53795 -0.06892 0.94050 -0.05556 1.22799 119 5PZ 0.48608 -0.13208 0.51347 -0.14447 1.49260 120 6PX -0.76387 2.83774 0.89140 1.12407 1.28870 121 6PY -1.07488 0.21933 -2.02776 0.19536 -2.14457 122 6PZ -0.20795 0.58865 -2.22682 0.26434 -3.12197 123 7D 0 0.00789 -0.00041 0.03733 0.01006 0.10903 124 7D+1 -0.01144 -0.01229 -0.00886 0.02261 -0.02444 125 7D-1 0.04498 0.03404 0.00574 0.02658 -0.02887 126 7D+2 0.02447 -0.02230 0.03537 -0.02761 0.00332 127 7D-2 -0.03553 0.07021 0.00848 0.06330 0.01057 128 8D 0 0.00464 0.00216 0.01490 0.00030 0.04435 129 8D+1 -0.00596 0.00022 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7D-2 0.03685 0.02133 -0.03851 0.01476 -0.02671 150 8D 0 -0.00446 0.00052 0.01289 -0.02560 0.01135 151 8D+1 -0.00037 0.00925 0.00316 0.01684 -0.00172 152 8D-1 0.00838 0.00114 -0.00801 0.01904 -0.00046 153 8D+2 -0.00663 -0.01112 -0.00808 0.00493 -0.00364 154 8D-2 -0.00301 0.00290 0.00676 0.00907 -0.01950 155 8 Cu 1S 0.00384 0.00164 -0.00059 -0.00145 0.00644 156 2S 0.04364 0.01876 0.00758 -0.00588 -0.05935 157 3S 0.57321 0.21775 0.27579 0.23539 -5.44715 158 4PX 0.00623 -0.03562 -0.00526 0.01206 0.01821 159 4PY 0.05487 0.01178 0.04437 0.00467 -0.04627 160 4PZ -0.03479 -0.01950 -0.01859 -0.00054 -0.03532 161 5PX -0.12814 0.43346 0.13122 -0.22160 -0.46311 162 5PY -0.70024 -0.15118 -0.93316 -0.13589 1.05238 163 5PZ 0.62086 0.32895 0.36584 -0.00548 1.13858 164 6PX 0.30826 -1.09975 -0.00372 -0.16528 -0.07641 165 6PY 0.92624 0.08567 1.28750 0.00685 1.86350 166 6PZ -0.77933 -0.53059 -1.49438 -0.05470 -1.50163 167 7D 0 -0.05104 -0.04494 -0.06885 -0.01207 -0.06740 168 7D+1 0.04090 -0.04571 0.00961 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0.89227 -0.59689 13 7D 0 0.01766 -0.02301 0.03940 -0.04915 -0.03449 14 7D+1 0.01140 -0.00192 0.01632 0.01352 -0.09518 15 7D-1 -0.01348 -0.03177 -0.07445 0.08591 -0.00080 16 7D+2 -0.01759 -0.03527 0.09743 0.06661 -0.00486 17 7D-2 0.05030 -0.02598 0.05475 0.00915 0.04758 18 8D 0 0.00857 -0.00393 0.00614 -0.02551 -0.01016 19 8D+1 0.01004 -0.00091 0.00760 0.00940 -0.02808 20 8D-1 -0.00667 -0.02332 -0.02566 0.02442 0.00205 21 8D+2 -0.00964 -0.01564 0.03807 0.02820 -0.00678 22 8D-2 0.01900 -0.00561 0.01955 0.00612 0.02748 23 2 Cu 1S 0.00210 -0.00858 0.04640 -0.01775 -0.00260 24 2S 0.02847 -0.03344 0.36986 -0.10416 -0.02442 25 3S 1.45987 2.81388 4.80082 0.76946 -0.40946 26 4PX -0.11012 0.03532 0.03437 0.00300 0.00885 27 4PY -0.03185 0.02790 -0.08494 0.00768 0.00924 28 4PZ -0.02768 -0.03531 0.02034 -0.05949 0.00105 29 5PX 2.06607 -0.79797 -0.91848 -0.05720 -0.37603 30 5PY 0.75741 -0.23834 2.42899 -0.34368 -0.33107 31 5PZ 0.54212 0.76213 -0.03583 1.56227 -0.07984 32 6PX -0.66987 0.25548 -0.11155 0.04247 0.77887 33 6PY 0.02803 0.11505 0.49217 -0.09273 0.06866 34 6PZ -0.25207 -0.45902 -0.07630 0.44569 0.19510 35 7D 0 0.00769 0.01220 -0.02138 -0.05584 -0.02196 36 7D+1 0.00292 -0.01010 0.01596 0.02625 -0.06899 37 7D-1 0.01300 0.04834 -0.03193 0.01409 -0.00589 38 7D+2 -0.01194 0.02331 0.03576 0.04699 0.00142 39 7D-2 0.03552 -0.01175 0.00706 0.01839 0.02368 40 8D 0 -0.00021 -0.00935 -0.00427 0.00674 -0.00776 41 8D+1 0.01040 -0.00396 0.01104 0.00135 -0.02610 42 8D-1 0.00826 0.02368 -0.03545 0.00979 -0.00296 43 8D+2 -0.00378 0.01600 0.04044 0.01917 0.00465 44 8D-2 0.02516 -0.00807 0.01683 0.00761 -0.00247 45 3 Cu 1S 0.00436 0.01598 -0.00887 -0.00569 -0.00223 46 2S 0.00308 0.06499 -0.07590 -0.00429 -0.16710 47 3S 0.25471 0.34388 -0.92834 -0.25945 -7.60483 48 4PX -0.00089 -0.02968 -0.02998 -0.01162 -0.06291 49 4PY -0.02844 0.04007 -0.02743 0.05093 -0.00659 50 4PZ 0.00336 -0.00618 0.00656 -0.00951 0.06625 51 5PX -0.07277 0.63913 0.67440 0.56745 1.67266 52 5PY 0.82728 -0.70264 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0.01251 -0.00661 -0.08968 73 5PX -0.20483 -0.25305 -0.84128 -0.03199 1.16265 74 5PY -0.96643 -0.29778 0.79890 -1.92647 0.10480 75 5PZ -0.25065 -0.15129 -0.20064 0.42441 2.14625 76 6PX 0.64372 -0.62897 0.01143 0.12425 0.94125 77 6PY 1.40043 0.15479 0.55611 -0.07401 -0.04643 78 6PZ -0.67076 -0.07724 -0.13523 -0.14819 0.99757 79 7D 0 -0.03418 -0.03611 0.01054 0.04370 0.00203 80 7D+1 -0.01816 -0.03234 -0.07844 -0.01054 0.02114 81 7D-1 -0.05297 -0.02766 0.07414 -0.07838 -0.03732 82 7D+2 -0.00117 -0.00387 0.02028 0.03832 0.03293 83 7D-2 -0.04702 -0.01956 0.04887 -0.04851 0.04959 84 8D 0 -0.00895 -0.00584 -0.00027 0.02019 0.00411 85 8D+1 -0.00614 -0.01423 -0.01998 -0.00459 0.00377 86 8D-1 -0.01848 -0.01603 0.00682 -0.02287 -0.00974 87 8D+2 -0.00031 -0.00259 0.00130 0.01881 0.01644 88 8D-2 -0.00289 0.02423 0.01592 -0.01748 0.01444 89 5 Cu 1S 0.01615 0.02245 0.00137 -0.00747 -0.00026 90 2S 0.03478 -0.00373 -0.03827 -0.08967 0.09829 91 3S -0.33865 -3.10311 -2.92720 -2.49001 5.56738 92 4PX 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0.00154 112 2S -0.01667 -0.01188 -0.04165 0.20724 0.01120 113 3S -1.81125 -4.44049 -2.66752 6.25619 0.07594 114 4PX 0.00796 -0.01242 -0.01568 -0.01291 -0.04283 115 4PY -0.00270 -0.03311 0.00155 0.09951 -0.00684 116 4PZ 0.03258 0.05955 0.03915 -0.01944 -0.01196 117 5PX -0.17350 0.27362 0.48272 0.34586 1.30782 118 5PY 0.12389 1.08380 -0.20004 -2.65741 0.22701 119 5PZ -0.92049 -1.65858 -1.24071 0.56816 0.34041 120 6PX 0.46634 -0.19183 -0.47106 0.11771 0.14571 121 6PY 0.41441 0.17718 1.41799 -1.02825 -0.10296 122 6PZ 0.43930 0.31719 0.71398 0.45647 -0.10718 123 7D 0 -0.02338 -0.03890 -0.07686 -0.01293 0.01960 124 7D+1 0.05851 -0.00393 0.03329 -0.00984 0.03912 125 7D-1 0.02874 0.09011 -0.04417 0.01204 -0.01140 126 7D+2 0.00294 0.06655 -0.03055 -0.05506 0.02957 127 7D-2 0.01108 0.00249 -0.00826 -0.02223 -0.09665 128 8D 0 -0.00969 -0.01176 -0.02185 -0.01208 -0.00161 129 8D+1 0.00424 -0.00446 0.00917 0.00106 -0.00313 130 8D-1 0.01826 0.04835 -0.00506 -0.01858 -0.00739 131 8D+2 -0.00389 0.01158 0.00144 -0.03262 0.01145 132 8D-2 0.01098 -0.01153 -0.00226 -0.00815 -0.02723 133 7 Cu 1S 0.00282 0.03027 0.00275 -0.00895 0.00071 134 2S -0.00329 0.01949 -0.05482 -0.08767 -0.09104 135 3S -1.35421 -3.80278 -3.17953 -2.22563 -5.39874 136 4PX -0.00358 0.04474 0.05261 0.04495 0.04300 137 4PY 0.04326 0.01851 0.00471 0.00997 0.04288 138 4PZ 0.00686 -0.00822 -0.01815 0.00187 -0.03420 139 5PX 0.11310 -1.07579 -1.50155 -1.14974 -1.21073 140 5PY -1.31479 -0.40945 0.09406 -0.26197 -1.11894 141 5PZ -0.24924 0.34132 0.39244 0.12915 1.10483 142 6PX -0.23638 -0.39611 -0.56739 -0.24444 -0.30759 143 6PY 0.06380 -1.03691 -0.03533 -0.30185 -0.89539 144 6PZ -0.52985 0.43348 -0.24428 -0.16765 -0.22084 145 7D 0 -0.01181 0.01902 0.04260 -0.01600 0.01950 146 7D+1 -0.03012 0.04461 0.03088 -0.04495 0.06408 147 7D-1 0.00233 0.01269 0.00958 0.00165 0.05109 148 7D+2 0.05762 0.00818 -0.10057 -0.06467 0.00701 149 7D-2 -0.10989 0.01815 0.00026 -0.02341 -0.05071 150 8D 0 0.00281 0.01239 0.00906 0.00286 -0.00531 151 8D+1 -0.01060 0.01190 0.00613 0.01612 0.01839 152 8D-1 0.00656 0.00870 0.00444 -0.00125 0.00836 153 8D+2 0.01570 -0.00890 -0.02311 -0.00924 -0.00699 154 8D-2 -0.03015 0.00354 -0.00297 -0.00628 -0.01808 155 8 Cu 1S 0.01195 0.01560 0.02162 -0.00594 -0.00268 156 2S 0.05292 -0.01414 0.17100 -0.03487 -0.01172 157 3S -0.25942 -3.77886 4.80045 -1.02072 -0.13598 158 4PX -0.03302 0.02397 -0.01682 0.00327 0.00107 159 4PY -0.00296 -0.04760 0.05640 -0.01145 -0.00050 160 4PZ 0.00836 -0.00073 0.05658 -0.00592 -0.00394 161 5PX 0.66199 -0.47988 0.43481 -0.00159 0.00429 162 5PY 0.32574 1.47110 -1.17066 -0.04755 -0.00143 163 5PZ -0.30414 -0.29894 -1.46858 0.18129 0.05921 164 6PX 0.23946 -0.00821 0.00528 0.00694 0.41982 165 6PY -0.15229 0.17142 -0.95495 0.14399 0.14464 166 6PZ -0.04950 -0.29443 0.28386 -0.14147 0.01960 167 7D 0 0.01761 0.06251 0.03377 -0.00309 0.00304 168 7D+1 -0.03142 0.00373 -0.02932 0.00018 0.01969 169 7D-1 -0.01961 -0.01017 0.04799 -0.03642 -0.00391 170 7D+2 0.05392 0.04752 -0.03980 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-0.00834 0.00653 15 7D-1 0.03493 0.03018 0.09205 0.00581 0.00693 16 7D+2 0.04001 -0.04894 -0.03705 -0.00796 -0.01150 17 7D-2 0.00625 0.09259 -0.01853 -0.00576 0.02162 18 8D 0 0.01740 0.00372 0.00716 -0.01030 -0.00336 19 8D+1 -0.00843 0.01738 -0.00503 0.00702 -0.00764 20 8D-1 0.01818 0.01058 0.01643 -0.01967 -0.00802 21 8D+2 0.00406 -0.01983 -0.00291 -0.00546 0.01205 22 8D-2 -0.00013 0.03693 -0.00080 0.00546 -0.02605 23 2 Cu 1S 0.01134 -0.00318 0.00141 -0.01500 -0.00181 24 2S 0.14908 -0.02046 -0.05879 -0.03710 -0.00521 25 3S 5.74332 0.21587 -6.25873 2.66029 0.26485 26 4PX 0.01266 0.07219 -0.02144 0.00913 -0.03606 27 4PY -0.06864 0.01236 0.10273 -0.01831 -0.00753 28 4PZ 0.01879 0.00933 0.03485 -0.01721 -0.00778 29 5PX -0.47545 -2.90331 0.95976 -0.43057 1.58189 30 5PY 2.58313 -0.45571 -4.32190 0.66529 0.34301 31 5PZ -0.78995 -0.39263 -1.82645 0.86011 0.34138 32 6PX -0.10314 0.01856 0.29414 -0.26103 4.96042 33 6PY 0.84401 0.04204 -0.92787 -0.49172 0.88610 34 6PZ 0.36407 0.14902 -0.86865 2.20086 1.04960 35 7D 0 0.00549 -0.00629 0.00761 -0.02614 -0.00516 36 7D+1 0.00058 -0.01749 0.00480 0.01145 -0.01307 37 7D-1 -0.07115 -0.01472 -0.04946 -0.02652 -0.00961 38 7D+2 -0.03086 0.03655 0.00043 -0.00913 0.01224 39 7D-2 0.00171 -0.09434 -0.00048 0.00219 -0.03162 40 8D 0 -0.00251 -0.00340 0.00319 -0.03301 -0.00475 41 8D+1 0.00297 -0.01111 -0.00107 0.00736 -0.00691 42 8D-1 -0.00983 -0.00399 0.00444 -0.01478 -0.00527 43 8D+2 0.00489 0.01107 0.00462 -0.03078 0.00877 44 8D-2 0.00071 -0.02666 0.00133 -0.00872 -0.02204 45 3 Cu 1S -0.01223 0.01608 -0.01520 -0.02300 0.01349 46 2S -0.20252 0.18457 -0.09757 -0.06053 0.02096 47 3S -5.93940 4.81568 -1.33441 0.68027 -0.83817 48 4PX -0.05298 0.07273 -0.01351 -0.00107 0.00398 49 4PY -0.00278 0.01766 -0.02055 -0.00551 0.00097 50 4PZ 0.07734 -0.02130 0.01936 0.01140 0.00959 51 5PX 1.00809 -2.57256 0.37228 -0.09758 0.08142 52 5PY 0.31876 -0.46503 -0.34432 0.05838 0.28347 53 5PZ -2.09064 0.06165 -0.92644 -0.26942 -0.09338 54 6PX 1.01962 -0.45293 -0.13601 0.28721 -0.13383 55 6PY -0.50608 0.06940 0.90213 -0.68348 0.71707 56 6PZ -0.67023 0.20491 -0.23597 -0.07977 0.50576 57 7D 0 -0.03673 -0.06591 -0.04110 -0.03041 -0.00360 58 7D+1 0.05201 -0.02498 0.06057 0.00524 0.00407 59 7D-1 0.02873 0.01776 -0.02493 -0.01034 0.02784 60 7D+2 0.04262 0.03561 -0.00908 0.00248 0.01992 61 7D-2 0.01649 0.02525 0.04948 0.00182 0.00372 62 8D 0 -0.00009 -0.02263 -0.02778 0.00539 0.01703 63 8D+1 0.01225 -0.01863 0.01655 -0.00285 0.00098 64 8D-1 0.01231 0.00291 -0.00561 0.00967 -0.01418 65 8D+2 0.01825 0.02858 -0.03322 -0.01078 0.00125 66 8D-2 -0.00014 0.01653 0.00363 -0.00559 -0.01113 67 4 Cu 1S -0.00895 -0.01145 -0.01985 -0.02247 -0.01426 68 2S -0.19157 -0.15203 -0.13601 -0.06617 -0.02402 69 3S -6.22803 -4.17550 -1.80738 0.15267 0.84290 70 4PX 0.02196 0.05607 0.02062 0.00066 0.00702 71 4PY 0.01122 0.01235 -0.01184 -0.00571 0.00132 72 4PZ 0.08677 0.03497 0.03229 0.01300 -0.00574 73 5PX -0.38306 -2.30437 -0.20582 0.01599 0.15005 74 5PY 0.00605 -0.53794 -0.48877 0.07169 -0.25141 75 5PZ -2.28475 -0.61996 -1.09344 -0.28738 0.09621 76 6PX -0.32776 -0.30614 -0.36798 0.30504 0.29941 77 6PY -0.83481 -0.57521 0.80515 -0.71378 -0.82997 78 6PZ -0.94966 -0.23258 -0.17109 -0.23779 -0.52825 79 7D 0 -0.05225 0.05489 -0.05386 -0.02675 0.00421 80 7D+1 -0.01248 -0.05511 -0.01477 0.01329 0.00648 81 7D-1 0.01707 -0.02773 -0.06150 -0.00600 -0.02768 82 7D+2 0.06093 -0.03439 0.02957 0.00033 -0.02000 83 7D-2 0.01756 -0.00144 -0.02579 0.00396 -0.00367 84 8D 0 -0.00662 0.01261 -0.03290 0.00429 -0.01399 85 8D+1 -0.00965 -0.03338 -0.00662 -0.01012 0.00569 86 8D-1 0.00512 -0.01092 -0.01174 0.00429 0.01184 87 8D+2 0.01733 -0.02075 -0.02384 -0.01088 0.00488 88 8D-2 0.01073 0.00229 -0.02081 -0.00460 -0.01215 89 5 Cu 1S 0.01046 0.00195 -0.00230 0.01333 0.03886 90 2S 0.07311 0.12506 -0.01449 0.04130 0.08725 91 3S 2.21524 5.70389 -1.50569 0.22044 -2.13851 92 4PX 0.00654 0.05205 -0.00976 -0.00765 -0.00511 93 4PY -0.00783 -0.00853 -0.01622 0.01205 0.00573 94 4PZ 0.02053 0.04159 0.00123 0.01133 -0.00087 95 5PX -0.16412 -1.91016 0.50158 0.03939 0.35901 96 5PY 0.52283 0.04040 -0.44280 0.02354 0.40680 97 5PZ -0.80846 -1.08956 -0.42973 -0.16273 0.34217 98 6PX -0.30614 -0.38171 0.16124 0.18601 -0.58949 99 6PY -0.06937 0.48963 0.45154 0.03693 1.38159 100 6PZ 0.05362 0.05849 0.33483 -0.13403 0.52492 101 7D 0 0.03084 -0.02811 0.03613 0.03701 -0.00241 102 7D+1 -0.01154 0.02562 0.00887 0.00426 -0.02475 103 7D-1 -0.05339 0.05764 -0.00713 0.01557 -0.02090 104 7D+2 -0.02233 -0.01034 -0.02799 0.01729 0.00112 105 7D-2 -0.00480 -0.02327 0.03567 -0.00483 -0.02467 106 8D 0 0.01103 -0.01236 0.01373 -0.01902 0.00634 107 8D+1 0.00941 0.02698 0.00640 -0.00557 -0.00252 108 8D-1 -0.01202 -0.00239 0.02578 -0.01789 -0.01854 109 8D+2 0.00544 0.02753 -0.01777 0.00555 0.01173 110 8D-2 -0.01943 0.00010 0.03556 -0.01120 -0.00239 111 6 Cu 1S -0.00818 -0.00130 0.04593 0.00011 0.00067 112 2S 0.09285 -0.00094 0.14234 -0.01443 0.00183 113 3S 7.21757 0.12759 -2.09414 -0.83457 0.02238 114 4PX 0.00226 0.00340 0.00495 0.00173 -0.00174 115 4PY 0.04975 0.00476 -0.01059 -0.00910 0.00008 116 4PZ -0.05040 0.00093 -0.00153 -0.00194 -0.00073 117 5PX -0.08186 -0.36861 0.03347 -0.13530 -0.02666 118 5PY -1.13889 -0.14342 0.09062 0.58791 0.01332 119 5PZ 1.12871 -0.02220 -0.52336 0.03099 0.01242 120 6PX 0.16622 -0.06353 -0.40130 0.26216 -0.20216 121 6PY -1.37344 -0.28973 1.24991 -0.69729 -0.11812 122 6PZ 0.41604 -0.20120 0.48937 -0.55310 -0.06784 123 7D 0 -0.02835 0.00916 0.03005 -0.00272 0.00497 124 7D+1 -0.01468 0.03817 -0.00976 -0.00548 0.01701 125 7D-1 0.03394 0.00520 0.02975 0.04120 0.00452 126 7D+2 -0.04504 -0.01259 0.01519 0.01980 0.00055 127 7D-2 -0.02609 0.01971 0.00221 0.00008 -0.00502 128 8D 0 0.01881 0.00374 -0.02276 0.01160 -0.00278 129 8D+1 -0.01260 0.00516 0.01391 -0.00323 -0.01354 130 8D-1 0.02086 0.00433 -0.01098 0.00427 -0.00037 131 8D+2 -0.00851 -0.00787 0.00618 0.00224 -0.00157 132 8D-2 -0.00733 0.01117 0.00662 -0.00052 0.00806 133 7 Cu 1S 0.01149 0.00007 -0.00471 0.01720 -0.03342 134 2S 0.06463 -0.11345 -0.03822 0.04261 -0.07237 135 3S 1.14593 -5.11725 -1.60974 -1.01711 2.18918 136 4PX -0.00278 0.05023 0.01964 0.00225 -0.00344 137 4PY -0.00994 0.02640 -0.00696 0.01640 -0.00631 138 4PZ 0.01297 -0.02457 0.00349 0.01169 0.00044 139 5PX -0.02401 -1.87085 -0.31953 -0.21624 0.57738 140 5PY 0.49808 -0.65981 -0.62952 -0.11880 -0.23008 141 5PZ -0.65186 0.50594 -0.51643 -0.15509 -0.18568 142 6PX 0.37173 -0.00240 -0.48494 -0.00496 0.14999 143 6PY -0.15467 -0.69488 0.34896 -0.21192 -1.53489 144 6PZ -0.03377 -0.06928 0.37041 -0.45085 -0.61062 145 7D 0 0.03574 0.02969 0.02974 0.03239 -0.01180 146 7D+1 0.00798 0.02833 -0.02614 -0.02139 -0.02164 147 7D-1 -0.04918 -0.04716 -0.04000 0.00846 0.00290 148 7D+2 -0.03531 0.01205 0.01554 0.01449 0.02882 149 7D-2 0.00050 0.01285 -0.03687 0.00592 -0.01737 150 8D 0 0.01111 0.02134 0.00392 -0.00576 -0.00945 151 8D+1 -0.01097 0.00660 -0.01798 0.01944 -0.00532 152 8D-1 -0.00958 0.00440 0.01043 -0.00877 0.01342 153 8D+2 -0.00490 -0.02466 0.00911 -0.00787 -0.00602 154 8D-2 0.02019 -0.01714 -0.04332 0.01378 -0.01300 155 8 Cu 1S 0.02699 0.00572 -0.05302 0.00199 0.00250 156 2S 0.02043 0.02748 -0.17834 -0.03575 0.00104 157 3S -6.83656 -0.60770 4.99286 -4.54065 -0.49471 158 4PX 0.01715 -0.01410 0.00271 0.00864 -0.01320 159 4PY -0.03276 0.00135 -0.01213 -0.02804 -0.00552 160 4PZ -0.04479 -0.00058 -0.00081 -0.01589 -0.00413 161 5PX -0.60255 0.45401 0.46497 -0.33366 0.15341 162 5PY 1.24516 0.19373 -1.30844 1.13634 0.14469 163 5PZ 1.53124 0.10812 -0.39929 0.48931 0.08631 164 6PX -0.06659 0.42336 -0.08266 0.13877 -0.08294 165 6PY 0.90735 0.16715 -0.47584 0.52903 0.02353 166 6PZ -0.25224 -0.12816 0.95561 -0.66168 -0.07928 167 7D 0 -0.02206 -0.00545 -0.05302 0.01154 -0.00140 168 7D+1 0.04174 -0.01255 0.00032 0.01606 -0.00339 169 7D-1 -0.09092 -0.01486 -0.02375 -0.03081 -0.00822 170 7D+2 0.02109 0.04982 -0.08227 0.04541 0.01693 171 7D-2 0.03152 -0.06955 -0.05415 0.02665 -0.01651 172 8D 0 -0.01469 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192 5PX 0.01944 -0.09355 -0.06601 -0.01245 0.18039 193 5PY -0.05465 -0.02976 0.22690 -0.06872 0.03125 194 5PZ -0.09338 -0.02167 0.13377 0.07999 0.03693 141 142 143 144 145 V V V V V EIGENVALUES -- 0.52882 0.62694 0.63102 0.64245 0.67019 1 1 Cu 1S 0.04450 -0.13559 0.06520 -0.02408 -0.01245 2 2S 0.06035 -0.23639 0.13425 -0.04511 -0.02044 3 3S -1.25579 4.39306 -1.05392 0.65589 0.38739 4 4PX -0.00100 -0.00106 -0.00290 -0.01726 0.00400 5 4PY 0.00214 -0.00106 -0.00048 -0.00511 0.00098 6 4PZ 0.00217 0.00808 0.00213 -0.00457 0.00028 7 5PX -0.03888 0.00816 0.12291 0.73198 0.07982 8 5PY 0.18693 0.10231 0.01643 0.20774 0.02945 9 5PZ 0.07855 -0.35745 0.06383 0.14009 -0.00786 10 6PX 0.11529 -0.60424 0.55165 2.54164 1.60531 11 6PY -1.46398 1.77339 -0.65273 0.59916 0.63531 12 6PZ 0.37751 0.77050 -0.12579 0.58268 0.33709 13 7D 0 -0.00096 0.14958 0.11036 -0.02072 0.07513 14 7D+1 0.00634 -0.05927 -0.05657 -0.03068 0.19755 15 7D-1 -0.03382 0.11904 0.04326 0.02645 0.03696 16 7D+2 -0.00305 0.04090 -0.02452 -0.06749 -0.06002 17 7D-2 0.00853 -0.02714 0.02635 0.17857 0.03558 18 8D 0 0.01901 -0.22385 -0.13824 0.02101 -0.10399 19 8D+1 -0.00291 0.08880 0.07645 0.03516 -0.27595 20 8D-1 0.01003 -0.18201 -0.07081 -0.04112 -0.05293 21 8D+2 0.02751 -0.06241 0.04687 0.10111 0.08362 22 8D-2 0.00497 0.03754 -0.03084 -0.26498 -0.04366 23 2 Cu 1S -0.07564 0.01398 -0.01200 0.00208 0.00439 24 2S -0.23851 0.02638 -0.02684 0.00829 0.00277 25 3S 2.83054 1.61558 -0.62669 0.36537 0.51280 26 4PX 0.00903 0.00336 -0.00099 -0.00653 -0.01951 27 4PY -0.03996 -0.00934 -0.00588 -0.00255 -0.00457 28 4PZ -0.00874 -0.00594 0.00640 -0.00400 -0.00308 29 5PX 0.03271 -0.08360 0.10797 0.49592 0.49451 30 5PY 0.03150 0.00224 -0.03511 0.20471 0.08488 31 5PZ -0.21783 0.27291 -0.05602 0.16967 0.05970 32 6PX 0.21241 -0.03345 -0.10361 -0.96837 -0.62831 33 6PY 0.01365 -0.15764 0.14451 -0.20653 0.08391 34 6PZ -1.07207 0.11833 -0.23443 -0.12984 0.06521 35 7D 0 0.05620 -0.09472 -0.16810 0.04015 -0.06152 36 7D+1 0.02733 0.02992 0.07810 0.00821 -0.19177 37 7D-1 -0.09629 -0.11942 -0.00294 -0.04434 -0.04302 38 7D+2 0.13819 -0.15216 0.09891 0.04741 0.06536 39 7D-2 0.06797 -0.01713 -0.01239 -0.24021 -0.01229 40 8D 0 -0.08901 0.13398 0.25224 -0.06208 0.09069 41 8D+1 -0.04147 -0.03553 -0.11945 -0.00888 0.28425 42 8D-1 0.15626 0.16361 0.01996 0.06246 0.06477 43 8D+2 -0.20580 0.24560 -0.14758 -0.06502 -0.09608 44 8D-2 -0.10402 0.03766 0.01124 0.34904 0.02184 45 3 Cu 1S 0.00351 0.00526 -0.03800 0.03294 -0.00714 46 2S 0.00753 0.05780 -0.05918 0.02164 -0.03805 47 3S -0.71857 1.49381 0.15684 -1.14416 -0.85559 48 4PX -0.00183 0.00452 0.00510 -0.00922 -0.01201 49 4PY 0.00678 -0.00183 -0.00176 -0.00171 0.00788 50 4PZ 0.00020 -0.00920 -0.00323 0.00244 0.01091 51 5PX 0.03070 -0.07420 -0.08007 0.53951 0.34947 52 5PY 0.12298 0.10061 0.13699 0.11528 -0.01324 53 5PZ -0.01513 0.25993 0.15326 0.00263 -0.16538 54 6PX -0.19803 0.30599 0.05402 0.36849 0.12763 55 6PY 0.80734 -0.08846 -0.14263 -0.42427 -0.22265 56 6PZ 0.01569 0.22771 0.21791 0.22894 0.01244 57 7D 0 -0.02532 -0.03151 -0.04422 0.01277 -0.13094 58 7D+1 0.01942 -0.19550 -0.02964 0.02212 0.08066 59 7D-1 -0.00148 -0.03051 -0.12657 0.18617 -0.05368 60 7D+2 -0.02665 0.06871 0.10194 0.01841 -0.09470 61 7D-2 -0.00743 0.11287 -0.16726 -0.00374 -0.05100 62 8D 0 0.03793 0.04288 0.06613 -0.00297 0.18603 63 8D+1 -0.02917 0.26823 0.02857 -0.02131 -0.09963 64 8D-1 0.00542 0.03116 0.18720 -0.26043 0.07755 65 8D+2 0.04661 -0.10592 -0.13988 -0.03101 0.12608 66 8D-2 0.00537 -0.16431 0.21647 -0.01607 0.06936 67 4 Cu 1S 0.00129 0.00298 -0.05053 -0.01163 0.02653 68 2S 0.00489 0.05019 -0.07083 0.01877 0.07532 69 3S -0.66269 1.56658 0.54623 1.12662 0.51146 70 4PX -0.00068 -0.00011 -0.00483 -0.00644 -0.00158 71 4PY 0.00720 -0.00326 -0.00266 -0.00010 -0.00998 72 4PZ -0.00028 -0.00977 -0.00483 -0.00332 -0.01404 73 5PX -0.05584 -0.07975 0.13008 0.47622 0.18624 74 5PY 0.10964 0.11716 0.16004 0.04229 0.12404 75 5PZ -0.01538 0.27038 0.19849 0.12662 0.22525 76 6PX -0.01908 -0.35470 0.05626 0.21954 0.01824 77 6PY 0.78578 -0.16216 0.03557 0.56462 -0.00187 78 6PZ 0.01461 0.13828 0.09524 -0.17722 -0.04340 79 7D 0 -0.03286 0.09167 -0.00073 0.02457 0.17189 80 7D+1 -0.00761 0.19603 0.10754 0.07423 0.02192 81 7D-1 -0.00972 0.03628 -0.09406 -0.12877 0.07898 82 7D+2 -0.02194 0.05464 -0.08206 -0.00212 0.09144 83 7D-2 -0.00809 -0.06409 0.21020 -0.04809 0.00842 84 8D 0 0.04961 -0.12593 0.00658 -0.04457 -0.23619 85 8D+1 0.01202 -0.27190 -0.14252 -0.08556 -0.02017 86 8D-1 0.01941 -0.05795 0.14565 0.17178 -0.10839 87 8D+2 0.03440 -0.09157 0.10812 0.01771 -0.12313 88 8D-2 0.01966 0.09304 -0.28987 0.05617 -0.00960 89 5 Cu 1S -0.00887 0.15661 -0.03551 0.09105 0.04216 90 2S -0.01085 0.31089 -0.08150 0.13575 0.06162 91 3S -0.15620 -2.32318 -0.17772 -2.44815 -1.13018 92 4PX -0.00147 -0.00046 -0.00681 -0.00571 -0.00145 93 4PY 0.00417 0.00159 0.00930 0.00765 0.00304 94 4PZ 0.00432 -0.00317 0.00540 -0.00309 0.00142 95 5PX -0.01399 0.38663 0.11782 0.61739 0.23285 96 5PY 0.09510 -0.11727 -0.17365 -0.13588 0.11282 97 5PZ -0.00635 0.34608 -0.05172 0.30126 0.12195 98 6PX 0.08635 0.42210 -0.17795 0.09140 0.06516 99 6PY 0.16135 -0.31513 0.01834 -0.65133 -0.47388 100 6PZ 0.01451 0.37362 0.01227 -0.15972 -0.18787 101 7D 0 0.00653 -0.03957 0.12406 -0.07821 0.09921 102 7D+1 -0.00022 0.03949 -0.00429 -0.10863 -0.14270 103 7D-1 0.03619 0.02171 0.10639 -0.06929 0.07563 104 7D+2 -0.02057 0.03329 -0.04987 -0.14090 0.01207 105 7D-2 0.03662 -0.06479 0.04243 0.02492 -0.07551 106 8D 0 -0.01109 0.04841 -0.15845 0.12909 -0.14250 107 8D+1 0.00182 -0.08851 0.01187 0.11275 0.18380 108 8D-1 -0.04834 -0.01947 -0.14285 0.08848 -0.13266 109 8D+2 0.03354 -0.05909 0.05666 0.17043 -0.02560 110 8D-2 -0.04651 0.09275 -0.03251 -0.02503 0.09384 111 6 Cu 1S -0.04271 0.15481 -0.07257 0.02340 -0.00301 112 2S -0.09648 0.28078 -0.15312 0.04720 -0.00279 113 3S 0.34149 -3.25556 -0.64413 0.07530 0.10037 114 4PX -0.00073 0.00212 -0.00308 -0.00008 0.00294 115 4PY -0.00514 -0.00829 -0.00782 0.00042 0.00074 116 4PZ 0.00475 -0.00083 0.01937 -0.00506 0.00117 117 5PX 0.02918 -0.07058 0.06789 0.02168 0.12121 118 5PY -0.01673 0.69681 0.09567 0.04284 0.00428 119 5PZ -0.05573 -0.30634 -0.33764 0.09508 0.01586 120 6PX -0.10040 0.24356 0.01320 0.10488 -0.02999 121 6PY -0.17217 -0.08680 0.22124 0.00684 -0.07272 122 6PZ 0.49634 -0.74509 -0.14135 0.03605 -0.12195 123 7D 0 -0.00860 -0.05505 -0.02607 0.05028 -0.06691 124 7D+1 0.00398 0.02420 -0.00629 0.12686 -0.17179 125 7D-1 0.01581 -0.08548 0.14651 -0.02151 -0.06863 126 7D+2 0.01029 -0.01596 -0.12108 0.02051 0.05688 127 7D-2 0.00023 0.02082 -0.08932 -0.06058 -0.07803 128 8D 0 0.00688 0.06953 0.01856 -0.07043 0.09713 129 8D+1 -0.00474 -0.02477 0.00870 -0.19077 0.24507 130 8D-1 -0.02062 0.13788 -0.19289 0.02518 0.09401 131 8D+2 -0.01860 0.05782 0.16151 -0.02025 -0.07197 132 8D-2 -0.00286 -0.01699 0.11789 0.07789 0.08164 133 7 Cu 1S -0.01199 0.17044 -0.06087 -0.03760 -0.03538 134 2S -0.01823 0.33633 -0.11765 -0.03258 -0.05237 135 3S -0.19211 -2.66493 0.56687 1.76410 0.69638 136 4PX -0.00179 0.00047 0.00002 -0.00235 0.00345 137 4PY 0.00521 0.00140 0.00855 -0.01164 -0.00295 138 4PZ 0.00447 -0.00208 0.00684 -0.00136 -0.00207 139 5PX -0.01309 -0.48244 0.15953 0.43970 0.18336 140 5PY 0.08285 -0.28581 -0.08738 0.36102 -0.04037 141 5PZ -0.00318 0.21062 -0.10147 -0.01882 -0.01937 142 6PX -0.14651 -0.38811 0.06021 -0.32821 -0.22335 143 6PY 0.10873 -0.46197 0.21273 0.50502 0.35123 144 6PZ -0.05409 0.26536 0.06870 0.09762 0.15699 145 7D 0 0.00171 -0.05553 0.09416 -0.03208 -0.15792 146 7D+1 -0.01347 -0.01403 -0.13050 -0.04431 -0.01152 147 7D-1 0.01729 0.03247 0.07740 0.02734 -0.11080 148 7D+2 0.01720 -0.02642 0.07315 0.12209 0.06663 149 7D-2 -0.04779 0.05856 -0.04424 0.13957 -0.02667 150 8D 0 -0.00488 0.09195 -0.13590 0.01322 0.21441 151 8D+1 0.02053 0.04326 0.16480 0.05769 -0.00049 152 8D-1 -0.02240 -0.02832 -0.11340 -0.02719 0.17049 153 8D+2 -0.01607 0.01739 -0.08314 -0.15877 -0.07023 154 8D-2 0.06682 -0.10455 0.04771 -0.16516 0.02493 155 8 Cu 1S -0.00327 0.07803 -0.05184 0.01808 0.00513 156 2S 0.00965 0.15937 -0.10082 0.03001 0.00878 157 3S 0.50130 -0.87692 1.38079 -0.43392 -0.20398 158 4PX -0.00217 0.00139 -0.00321 -0.00211 0.00517 159 4PY 0.00442 0.00551 -0.00264 -0.00248 0.00028 160 4PZ 0.00241 -0.00293 0.00403 -0.00328 0.00148 161 5PX 0.03239 -0.04091 0.09632 -0.12530 -0.11182 162 5PY -0.06652 0.07956 -0.06932 0.06161 0.02318 163 5PZ -0.05683 -0.00988 -0.29231 0.08890 -0.01798 164 6PX 0.04599 0.03355 -0.02992 -0.49533 -0.22972 165 6PY -0.01434 0.46980 -0.27028 -0.01312 0.00560 166 6PZ 0.06577 -0.71367 0.01691 -0.09681 -0.06746 167 7D 0 0.01825 -0.10796 0.08152 -0.05117 0.06303 168 7D+1 -0.00927 0.04765 -0.04420 -0.05426 0.13175 169 7D-1 0.00828 -0.02470 -0.09574 -0.01605 0.02858 170 7D+2 0.00407 -0.04870 0.00858 0.03337 -0.01056 171 7D-2 -0.00208 -0.00382 0.00432 -0.02575 -0.05290 172 8D 0 -0.01836 0.13474 -0.09287 0.06692 -0.08742 173 8D+1 0.00939 -0.05591 0.05115 0.07950 -0.18701 174 8D-1 -0.00751 0.02643 0.13726 0.02054 -0.04199 175 8D+2 -0.00439 0.07165 -0.01039 -0.04718 0.01700 176 8D-2 0.00233 0.00986 -0.00605 0.04604 0.07956 177 9 C 1S 0.03389 -0.00024 -0.00310 -0.00257 0.00839 178 2S -0.14584 -0.03273 0.17941 -0.01764 0.05646 179 3S -2.24867 -0.22497 -0.05264 0.02220 -0.04365 180 4PX -0.24338 -0.06181 0.01523 0.00127 -0.00590 181 4PY 0.97297 0.18913 -0.02594 0.00808 0.06641 182 4PZ 0.36648 0.13853 -0.04958 0.01280 0.02772 183 5PX 0.08926 0.06094 -0.02678 -0.19285 -0.14308 184 5PY -0.45745 -0.01030 -0.06595 0.00371 -0.13649 185 5PZ -0.02348 -0.21716 0.02453 -0.03454 -0.05802 186 10 O 1S -0.09408 -0.01010 0.00684 -0.00114 0.00124 187 2S 0.26686 0.01459 -0.00525 -0.00247 0.00933 188 3S 0.89290 0.12816 -0.07049 0.02464 -0.03888 189 4PX -0.02920 0.04919 -0.07070 -0.39804 -0.19638 190 4PY 0.08811 0.16267 0.12488 -0.10821 0.08340 191 4PZ 0.05163 -0.27105 -0.16728 -0.05772 0.03997 192 5PX -0.32184 -0.13526 0.13241 0.58385 0.30978 193 5PY 1.29457 0.01124 -0.28217 0.17401 -0.08736 194 5PZ 0.51237 0.49585 0.17713 0.09571 -0.04353 146 147 148 149 150 V V V V V EIGENVALUES -- 0.67251 0.67393 0.71060 0.71772 0.73450 1 1 Cu 1S -0.06543 -0.05848 -0.08657 -0.00815 -0.00072 2 2S -0.13625 -0.06911 -0.09279 -0.01004 -0.00029 3 3S 0.75781 3.00326 3.70598 0.33168 0.03864 4 4PX 0.00064 -0.00419 0.00090 -0.02102 0.02447 5 4PY 0.00099 0.02613 -0.00108 -0.00402 0.00559 6 4PZ -0.00649 -0.00213 0.00960 -0.00379 0.00506 7 5PX -0.07174 0.15911 0.10697 0.28074 -0.17100 8 5PY 0.18782 -0.89460 -0.10346 0.04303 -0.06815 9 5PZ 0.03085 -0.08227 -0.74998 0.01870 -0.04297 10 6PX -1.12964 0.07299 -0.18620 0.81551 0.49009 11 6PY 2.80129 -1.00165 0.72262 0.11032 0.00498 12 6PZ 0.22995 -0.02173 -0.75479 0.09607 0.06667 13 7D 0 0.00084 0.11638 0.04449 -0.05481 -0.02030 14 7D+1 -0.03403 -0.03916 -0.01135 -0.20255 -0.06315 15 7D-1 -0.05263 -0.08710 0.12676 0.00771 -0.04403 16 7D+2 -0.02782 -0.12180 0.14241 -0.02284 0.06686 17 7D-2 -0.00979 -0.03803 0.01555 0.17505 -0.13698 18 8D 0 0.00651 -0.19164 -0.05462 0.09697 0.03078 19 8D+1 0.04899 0.05773 0.00458 0.35337 0.09914 20 8D-1 0.05888 0.14404 -0.17402 -0.00637 0.06417 21 8D+2 0.04743 0.16675 -0.22338 0.03296 -0.09567 22 8D-2 0.01648 0.04754 -0.03035 -0.28322 0.18451 23 2 Cu 1S 0.02935 -0.01034 0.02533 0.00204 -0.00027 24 2S 0.01691 -0.05903 0.03030 0.00461 -0.00297 25 3S 3.40720 -0.85750 -0.49421 0.03569 -0.15212 26 4PX 0.00480 0.00089 -0.00294 -0.00063 -0.01496 27 4PY -0.00937 0.00990 -0.00101 -0.00033 -0.00074 28 4PZ 0.00099 -0.00942 0.01698 0.00056 -0.00247 29 5PX -0.06034 0.05270 0.14309 0.04189 0.49290 30 5PY 0.04731 -0.59723 -0.14253 0.01690 0.02357 31 5PZ -0.17387 0.13593 -0.70374 -0.00845 0.08243 32 6PX -0.26060 0.05915 0.03897 0.17935 -0.61094 33 6PY 1.17552 -0.55383 -0.13404 0.00521 -0.12845 34 6PZ 1.19806 0.45850 0.05946 0.03739 -0.11421 35 7D 0 0.06658 0.12278 -0.05672 -0.05194 -0.02901 36 7D+1 0.03792 -0.05614 0.02807 -0.15674 -0.09604 37 7D-1 -0.03769 0.09605 0.10196 -0.00847 -0.01301 38 7D+2 0.08119 -0.01432 0.06221 -0.00216 0.00701 39 7D-2 0.04258 -0.01411 -0.00623 0.08088 0.03559 40 8D 0 -0.10645 -0.19139 0.12612 0.10082 0.04456 41 8D+1 -0.05398 0.08735 -0.05161 0.30111 0.14805 42 8D-1 0.05895 -0.12217 -0.17682 0.02122 0.01196 43 8D+2 -0.11862 0.04862 -0.07345 -0.00028 0.00425 44 8D-2 -0.06368 0.02844 0.02050 -0.13720 -0.09185 45 3 Cu 1S 0.04013 0.01982 0.08579 -0.18234 -0.00938 46 2S 0.07373 0.06298 0.14885 -0.25951 0.01893 47 3S -0.78879 0.22791 -1.32306 5.39269 1.10740 48 4PX -0.00413 -0.00379 -0.00596 0.01471 0.01119 49 4PY -0.00062 0.01122 0.00397 0.00841 0.00512 50 4PZ 0.00135 -0.00425 0.00638 -0.01695 0.00429 51 5PX 0.07047 0.10548 0.22289 -0.93596 -0.36405 52 5PY 0.09410 -0.38719 0.21656 -0.34428 -0.07575 53 5PZ -0.09965 0.10375 -0.40200 0.65763 0.05706 54 6PX 0.46747 0.18305 0.18625 -0.74881 0.02606 55 6PY -0.78644 -0.27868 -0.02609 0.16809 -0.19563 56 6PZ -0.00188 0.05907 -0.39129 0.45923 0.23078 57 7D 0 0.01359 -0.12752 0.11658 0.03645 0.05617 58 7D+1 -0.04032 -0.06120 -0.11385 -0.07867 -0.05462 59 7D-1 0.02980 0.01901 0.01676 -0.04856 -0.05037 60 7D+2 0.04188 0.15943 -0.04690 -0.06625 0.04017 61 7D-2 0.01065 -0.04262 -0.12111 -0.04713 0.06559 62 8D 0 -0.01662 0.17508 -0.17803 -0.05881 -0.07606 63 8D+1 0.06081 0.10099 0.17580 0.12509 0.08561 64 8D-1 -0.04142 -0.02706 -0.01483 0.04044 0.07270 65 8D+2 -0.04682 -0.22280 0.05844 0.15049 -0.04613 66 8D-2 -0.01230 0.06869 0.15826 0.07724 -0.08775 67 4 Cu 1S 0.03771 0.01278 0.06787 0.19290 0.00637 68 2S 0.06250 0.04907 0.11869 0.28320 -0.02314 69 3S -1.08985 0.39558 -0.96899 -5.36828 -1.04712 70 4PX 0.00435 0.00110 0.00111 0.01061 0.01344 71 4PY 0.00425 0.01198 0.00739 -0.00248 -0.00087 72 4PZ 0.00685 -0.00345 0.00677 0.02159 -0.00112 73 5PX -0.13275 -0.00111 -0.09661 -0.73668 -0.31076 74 5PY 0.02074 -0.39486 0.09609 0.06708 -0.07554 75 5PZ -0.20722 0.11033 -0.40385 -0.97554 -0.16146 76 6PX -0.06239 -0.07924 0.03976 -0.43334 0.03788 77 6PY -0.90056 -0.35768 -0.01863 -0.32730 0.20592 78 6PZ -0.18059 0.05348 -0.37652 -0.74355 -0.20174 79 7D 0 -0.01870 -0.05949 0.14310 -0.04956 -0.09614 80 7D+1 0.02181 0.13550 -0.01699 -0.02191 -0.03646 81 7D-1 0.01601 0.10038 0.04576 0.03245 0.04782 82 7D+2 0.00143 0.05751 -0.14102 0.09227 -0.04788 83 7D-2 0.00235 0.10763 0.03212 0.00199 0.01743 84 8D 0 0.02534 0.07316 -0.22300 0.07194 0.13631 85 8D+1 -0.03474 -0.19655 0.01422 0.00981 0.05677 86 8D-1 -0.02304 -0.14810 -0.06054 -0.02177 -0.06715 87 8D+2 0.00856 -0.07032 0.19511 -0.17862 0.05426 88 8D-2 0.00207 -0.15107 -0.04071 -0.03850 -0.03097 89 5 Cu 1S 0.01824 0.08396 -0.02380 0.11739 0.03935 90 2S 0.03823 0.13613 -0.01925 0.20398 0.09765 91 3S -0.49734 -1.79274 0.71610 -3.31086 -0.67166 92 4PX -0.00234 -0.00384 0.00139 -0.00342 -0.00582 93 4PY -0.00447 -0.00149 -0.00080 -0.00071 0.01221 94 4PZ -0.00247 -0.00422 -0.00001 -0.00472 0.00243 95 5PX 0.07330 0.42921 -0.11799 0.50907 0.06386 96 5PY 0.12540 -0.16634 -0.12350 -0.23615 0.06341 97 5PZ 0.04435 0.22174 -0.23236 0.55710 0.10914 98 6PX 0.12100 0.29848 -0.01379 0.46647 0.13581 99 6PY -0.13987 0.42943 -0.06717 -0.25050 -0.38402 100 6PZ 0.17274 0.03347 0.12232 0.40635 0.04095 101 7D 0 -0.04485 -0.05889 -0.05515 0.16423 0.01316 102 7D+1 0.01560 -0.09462 0.12623 0.11508 0.09242 103 7D-1 -0.00585 0.01970 0.00106 0.01196 -0.03459 104 7D+2 0.01830 0.03885 -0.01998 -0.05843 0.07538 105 7D-2 0.03075 0.09388 -0.05922 -0.03877 -0.12174 106 8D 0 0.06518 0.08352 0.09101 -0.24752 -0.03141 107 8D+1 -0.02175 0.12307 -0.17785 -0.21647 -0.15243 108 8D-1 0.00984 -0.01114 -0.00112 -0.01369 0.03734 109 8D+2 -0.02558 -0.08761 0.03664 0.06084 -0.10270 110 8D-2 -0.04208 -0.11444 0.10789 0.08558 0.16787 111 6 Cu 1S 0.00757 -0.02283 0.04322 0.00735 -0.00076 112 2S 0.03351 0.00993 0.06104 0.00975 -0.00011 113 3S 0.72150 1.19950 -0.99011 -0.17988 0.00617 114 4PX 0.00024 -0.00024 0.00575 -0.00460 -0.00114 115 4PY 0.00299 0.00259 -0.01438 -0.00254 -0.00008 116 4PZ -0.00608 -0.00229 -0.00766 -0.00076 0.00016 117 5PX -0.03296 0.06096 -0.02619 -0.31922 -0.13204 118 5PY -0.12810 -0.39259 0.33492 -0.01199 -0.03063 119 5PZ 0.14188 0.12604 -0.27693 -0.09290 -0.02488 120 6PX 0.31344 0.03681 -0.05370 -0.61624 0.07373 121 6PY -0.64584 0.05815 0.22752 -0.02558 0.02535 122 6PZ -0.75909 -0.22582 0.19618 -0.05005 0.00878 123 7D 0 0.03110 -0.04484 -0.12554 0.02329 -0.01045 124 7D+1 0.02828 -0.00968 0.02334 0.11583 -0.03064 125 7D-1 -0.07363 -0.08909 0.04715 -0.00950 0.01085 126 7D+2 -0.06055 -0.22363 0.01066 0.04847 -0.03943 127 7D-2 0.00821 -0.06296 0.00568 -0.17759 0.10139 128 8D 0 -0.04293 0.06686 0.15218 -0.04067 0.01950 129 8D+1 -0.04250 0.01385 -0.02559 -0.18632 0.05507 130 8D-1 0.10460 0.11008 -0.02915 0.02059 -0.01174 131 8D+2 0.07927 0.30418 -0.00232 -0.08097 0.05144 132 8D-2 -0.00905 0.08669 -0.01002 0.29953 -0.13624 133 7 Cu 1S 0.02855 0.09373 -0.01235 -0.10539 -0.03771 134 2S 0.05254 0.15315 -0.00064 -0.18231 -0.09456 135 3S -0.89346 -2.03802 0.31645 3.13070 0.67329 136 4PX 0.00394 0.00504 -0.00015 -0.00373 -0.00047 137 4PY -0.00228 0.00122 -0.00215 0.00002 -0.01436 138 4PZ -0.00058 -0.00208 -0.00143 0.00240 -0.00341 139 5PX -0.20097 -0.44530 0.15227 0.51339 0.12786 140 5PY 0.08949 -0.34062 -0.10451 0.38672 -0.03948 141 5PZ 0.01091 0.09062 -0.13693 -0.36407 -0.07522 142 6PX -0.01718 -0.41864 -0.02261 0.40498 -0.00055 143 6PY -0.38298 0.23712 -0.14753 0.39273 0.42985 144 6PZ -0.01463 -0.09494 0.09927 -0.24477 -0.02362 145 7D 0 0.00678 0.01133 -0.10047 -0.07941 0.03485 146 7D+1 0.02987 0.11959 -0.09886 0.19744 0.06597 147 7D-1 0.02678 0.02233 -0.00994 0.03447 0.01940 148 7D+2 0.01209 0.04122 -0.01898 0.01300 -0.00296 149 7D-2 -0.00155 -0.07115 0.05117 -0.00864 -0.16433 150 8D 0 -0.00601 -0.01187 0.15506 0.10085 -0.05358 151 8D+1 -0.03847 -0.16980 0.14241 -0.32354 -0.11983 152 8D-1 -0.04193 -0.02422 0.00487 -0.05612 -0.02737 153 8D+2 -0.02234 -0.07229 0.04694 -0.00624 0.01494 154 8D-2 0.00422 0.05943 -0.08914 0.05355 0.22672 155 8 Cu 1S 0.01644 0.02994 0.04700 0.00942 -0.00090 156 2S 0.03098 0.05788 0.07795 0.01777 -0.00172 157 3S -1.57544 -0.02103 -0.95304 -0.04514 0.05109 158 4PX -0.00008 0.00064 -0.00061 0.00034 0.00089 159 4PY -0.00216 -0.00669 0.00161 0.00026 -0.00038 160 4PZ -0.00195 0.00481 0.00429 0.00173 0.00026 161 5PX -0.05525 0.01754 -0.02718 -0.01924 0.00851 162 5PY 0.17360 -0.05896 0.10247 0.00425 -0.00715 163 5PZ 0.15362 0.01326 0.03108 -0.01850 -0.00066 164 6PX 0.01819 -0.04271 -0.01512 0.00889 0.01448 165 6PY 0.40200 0.23477 0.04249 -0.03096 0.00623 166 6PZ -0.39226 0.09237 0.08534 0.02960 0.01354 167 7D 0 -0.03858 -0.02151 -0.04755 -0.02559 0.00240 168 7D+1 -0.02542 -0.01940 0.06308 -0.04239 0.00293 169 7D-1 0.03785 -0.00543 -0.14219 -0.04592 0.02790 170 7D+2 -0.01582 -0.06362 -0.06459 0.04342 -0.04950 171 7D-2 -0.01215 -0.03528 0.01906 -0.06354 0.08338 172 8D 0 0.04929 0.00832 0.06447 0.03684 -0.00611 173 8D+1 0.04063 0.03511 -0.08488 0.06482 -0.00515 174 8D-1 -0.05886 0.00647 0.19545 0.06837 -0.04287 175 8D+2 0.02622 0.08407 0.10914 -0.06546 0.07551 176 8D-2 0.01990 0.04650 -0.01947 0.10196 -0.13223 177 9 C 1S 0.05379 -0.01956 0.00581 0.00003 0.00084 178 2S 0.34201 0.02494 -0.14266 -0.01157 -0.01371 179 3S -0.24488 -0.23641 -0.03107 0.00304 0.00177 180 4PX -0.10925 0.02458 -0.01818 -0.00996 0.08368 181 4PY 0.42195 -0.06891 0.11548 0.00921 0.00995 182 4PZ 0.18289 -0.08074 0.00472 0.00244 0.01291 183 5PX 0.18694 -0.01644 -0.03396 0.04051 -0.79959 184 5PY -0.68878 0.04574 -0.32633 -0.00254 -0.14032 185 5PZ -0.21932 0.15915 0.43239 0.02985 -0.15487 186 10 O 1S 0.00767 -0.00057 -0.00410 -0.00048 -0.00020 187 2S 0.05862 -0.02603 -0.00259 -0.00045 0.00102 188 3S -0.25368 0.09421 0.04187 0.00759 -0.00154 189 4PX -0.18524 0.04709 -0.05808 0.05633 -0.62576 190 4PY 0.73104 -0.34182 -0.17672 -0.00096 -0.11191 191 4PZ 0.43782 0.21806 0.42540 0.03429 -0.11988 192 5PX 0.21749 -0.06110 0.06191 -0.09525 1.12563 193 5PY -0.86921 0.46130 0.45546 0.01615 0.20115 194 5PZ -0.56938 -0.34187 -0.67616 -0.05221 0.21650 151 152 153 154 155 V V V V V EIGENVALUES -- 0.74958 0.76450 0.77763 0.79105 0.79616 1 1 Cu 1S -0.12956 0.01801 -0.00669 -0.01023 -0.04331 2 2S -0.19863 0.01468 0.03793 -0.02273 -0.07264 3 3S 2.97335 -0.91575 1.99468 0.07515 1.35381 4 4PX -0.00525 -0.00523 -0.00689 0.00775 -0.00256 5 4PY 0.00520 -0.00722 0.01114 0.00200 0.00556 6 4PZ 0.01005 -0.00546 0.01044 -0.00030 -0.00047 7 5PX 0.14205 0.31779 0.14700 0.03302 0.04589 8 5PY 0.33364 0.06857 0.06416 -0.05927 -0.33107 9 5PZ -0.70591 0.24734 -0.37548 0.04954 0.01155 10 6PX 0.60811 0.57452 -0.55042 0.01159 0.13671 11 6PY -1.60833 0.10225 1.43960 -0.27930 -0.23155 12 6PZ -0.38576 0.04456 0.43351 -0.08600 -0.28907 13 7D 0 -0.03120 0.02749 0.04160 -0.01827 -0.02641 14 7D+1 0.00311 0.11518 0.01071 -0.03581 0.00488 15 7D-1 0.03143 0.05568 -0.10717 -0.00807 0.00665 16 7D+2 -0.12153 0.02041 -0.10527 0.02008 -0.05755 17 7D-2 -0.04493 0.02621 -0.00656 -0.06550 -0.00679 18 8D 0 0.05729 -0.05484 -0.04451 0.02784 0.02584 19 8D+1 -0.01441 -0.19570 -0.03937 0.06921 -0.01312 20 8D-1 -0.06835 -0.09278 0.18912 0.01179 0.01398 21 8D+2 0.16574 -0.01842 0.14537 -0.02591 0.07787 22 8D-2 0.06025 -0.03231 -0.00560 0.08296 0.00572 23 2 Cu 1S -0.01002 0.01118 -0.02245 0.00069 -0.00292 24 2S -0.02623 0.00636 0.04730 -0.02292 -0.09743 25 3S 2.20776 -0.53245 0.99146 -0.07342 -0.56049 26 4PX 0.01289 0.00278 -0.00595 0.00441 0.00218 27 4PY -0.05432 0.00229 0.02325 -0.00296 0.00445 28 4PZ -0.01390 -0.00082 0.02059 -0.00597 -0.01954 29 5PX -0.01461 0.26834 0.09656 0.32360 0.02110 30 5PY 0.59956 -0.00806 0.32362 -0.12365 -0.93433 31 5PZ -0.25478 0.12513 -0.22885 0.18563 0.50571 32 6PX 0.12900 -0.05760 0.04500 -0.11964 0.05703 33 6PY 0.02663 0.03427 -0.08799 -0.01890 -0.04973 34 6PZ -0.95044 0.08823 0.26456 -0.08894 -0.04031 35 7D 0 -0.11278 0.03066 -0.11452 0.05848 0.08376 36 7D+1 0.00924 -0.05863 0.05948 0.09082 -0.06238 37 7D-1 0.05702 -0.01667 0.05955 0.05725 0.15408 38 7D+2 -0.02970 -0.04670 0.10922 -0.04308 0.07637 39 7D-2 -0.00667 0.06682 0.06134 0.05704 -0.01710 40 8D 0 0.18182 -0.04664 0.18171 -0.09948 -0.18112 41 8D+1 -0.03109 0.09410 -0.09000 -0.13352 0.10715 42 8D-1 -0.05410 0.02600 -0.12286 -0.08381 -0.25059 43 8D+2 0.00580 0.07984 -0.18327 0.05968 -0.14703 44 8D-2 -0.01020 -0.09148 -0.09231 -0.09100 0.01815 45 3 Cu 1S 0.09204 0.06475 0.07534 -0.05081 -0.01804 46 2S 0.13416 0.09737 0.05041 -0.06471 -0.03680 47 3S -2.40541 -2.08174 -3.09742 1.70389 0.44643 48 4PX -0.01117 -0.00674 -0.02177 0.00590 0.00924 49 4PY -0.00012 0.00910 0.00362 0.00478 0.00397 50 4PZ 0.01407 0.00368 0.00800 -0.00331 0.00009 51 5PX 0.47808 0.58356 0.75107 -0.45270 -0.02783 52 5PY 0.18223 -0.10118 -0.29527 0.08957 -0.25232 53 5PZ -0.54624 -0.01189 -0.55000 0.08280 0.12859 54 6PX 0.08528 0.37697 0.49521 0.01799 -0.06272 55 6PY 0.77686 0.10826 -0.26553 -0.18493 0.15434 56 6PZ -0.34252 -0.00999 -0.34579 0.50438 -0.05869 57 7D 0 0.14265 -0.05100 -0.02467 -0.09456 0.08513 58 7D+1 0.05915 0.05053 -0.05222 -0.07237 0.07162 59 7D-1 -0.10886 -0.09889 0.02524 0.08728 0.09439 60 7D+2 0.06690 0.01503 -0.13739 -0.03446 -0.01252 61 7D-2 0.02026 0.07042 -0.00463 -0.09671 -0.11248 62 8D 0 -0.21553 0.09657 0.05470 0.12314 -0.13311 63 8D+1 -0.06044 -0.08743 0.10419 0.11433 -0.11983 64 8D-1 0.17934 0.15574 -0.03709 -0.13231 -0.17330 65 8D+2 -0.10794 -0.06012 0.21796 0.07405 0.00066 66 8D-2 -0.02141 -0.10451 0.03438 0.13487 0.18228 67 4 Cu 1S 0.06391 -0.11119 0.04026 0.03120 -0.04422 68 2S 0.09614 -0.14423 0.00951 0.04319 -0.07800 69 3S -1.39012 3.63139 -1.84051 -0.94699 1.12367 70 4PX 0.00340 -0.01088 0.01130 -0.00075 -0.01057 71 4PY -0.00064 -0.01393 0.00399 -0.00422 0.00223 72 4PZ 0.01381 -0.01225 0.00925 0.00197 -0.00458 73 5PX -0.09969 0.63060 -0.07686 -0.25907 0.20705 74 5PY 0.19307 0.50936 -0.33400 -0.20768 -0.14893 75 5PZ -0.54505 0.60836 -0.55001 -0.02977 0.20819 76 6PX -0.13174 0.44521 0.14213 0.13518 -0.02423 77 6PY 0.70583 -0.02845 -0.37684 0.38867 0.02033 78 6PZ -0.27251 0.41235 -0.42147 -0.37025 0.17231 79 7D 0 0.10987 0.03193 0.01537 0.06480 -0.00962 80 7D+1 -0.07215 -0.02350 -0.01504 -0.10797 -0.11670 81 7D-1 -0.06769 0.12932 0.06199 -0.10048 0.14032 82 7D+2 0.05171 -0.02838 -0.12494 0.10437 -0.08070 83 7D-2 0.07407 0.01158 -0.09568 0.03020 0.04473 84 8D 0 -0.18884 -0.05952 -0.02869 -0.07971 0.01163 85 8D+1 0.09240 0.06147 0.01414 0.15954 0.19685 86 8D-1 0.10721 -0.18752 -0.10910 0.13670 -0.23972 87 8D+2 -0.06236 0.04706 0.23112 -0.17744 0.11583 88 8D-2 -0.11043 0.01719 0.14871 -0.06902 -0.06904 89 5 Cu 1S 0.02537 -0.02636 -0.00282 0.05833 0.02667 90 2S 0.07991 -0.06383 -0.00831 0.12182 0.06270 91 3S -0.49701 0.13937 0.51510 -1.11538 -0.55097 92 4PX -0.00032 -0.00273 -0.00058 -0.00780 -0.00401 93 4PY 0.00061 -0.00094 -0.00581 -0.00062 -0.00337 94 4PZ 0.00058 -0.00257 -0.00307 0.00233 -0.00019 95 5PX 0.12718 0.07719 0.05020 0.14844 0.11508 96 5PY 0.13170 0.04821 0.01972 -0.00088 0.00022 97 5PZ -0.16699 0.02260 -0.11362 0.12989 -0.04193 98 6PX 0.22947 -0.18336 -0.04571 0.10922 0.13065 99 6PY 0.01086 -0.06784 0.11247 -0.06300 -0.08166 100 6PZ 0.10713 -0.17067 -0.01285 0.19345 0.12797 101 7D 0 0.10756 0.03353 0.04990 -0.07975 0.01591 102 7D+1 0.07309 -0.08627 0.00789 0.00371 0.05652 103 7D-1 -0.06673 0.03766 0.19150 0.02005 -0.12048 104 7D+2 0.10149 0.06908 0.05843 0.22333 0.02280 105 7D-2 -0.00511 0.01151 0.11714 0.13382 0.03396 106 8D 0 -0.14013 -0.05339 -0.08240 0.11679 -0.01329 107 8D+1 -0.11266 0.14437 -0.00174 -0.00697 -0.08399 108 8D-1 0.08471 -0.07036 -0.30972 -0.01924 0.20663 109 8D+2 -0.16964 -0.11574 -0.10518 -0.36896 -0.03798 110 8D-2 0.00956 -0.02564 -0.16945 -0.21924 -0.05121 111 6 Cu 1S 0.05974 0.01260 -0.08137 0.01598 0.04322 112 2S 0.09984 0.00865 -0.09053 0.02843 0.11073 113 3S -0.67674 -0.85575 4.00842 -0.52121 -0.56245 114 4PX -0.00518 -0.01350 -0.00353 0.01003 0.00266 115 4PY 0.00221 -0.00760 0.01478 -0.00141 -0.00758 116 4PZ 0.00925 -0.00329 -0.01062 0.00108 -0.01261 117 5PX 0.14705 0.45089 0.17433 -0.18676 0.03531 118 5PY 0.09473 0.28859 -0.78318 0.05306 -0.00078 119 5PZ -0.40055 0.07436 0.34108 -0.06739 0.01844 120 6PX -0.10901 0.01692 0.09810 -0.09288 -0.09890 121 6PY 0.21116 0.18138 -0.87276 0.14357 0.32843 122 6PZ 0.38193 -0.09941 0.23129 0.01340 0.16132 123 7D 0 0.18476 0.08141 -0.05905 0.00054 -0.14301 124 7D+1 -0.00814 0.21114 0.15333 0.04950 0.02124 125 7D-1 -0.08922 0.13931 -0.20426 -0.02912 -0.02181 126 7D+2 -0.02527 -0.08365 0.04350 0.06822 -0.10998 127 7D-2 0.03447 0.03953 0.06559 -0.26002 0.02713 128 8D 0 -0.29841 -0.13403 0.08959 -0.00771 0.20293 129 8D+1 0.01498 -0.34413 -0.26248 -0.08539 -0.01744 130 8D-1 0.15127 -0.22990 0.33796 0.04356 0.02972 131 8D+2 0.05784 0.15072 -0.11257 -0.10683 0.17764 132 8D-2 -0.05189 -0.07735 -0.12887 0.42956 -0.04326 133 7 Cu 1S 0.03037 0.01540 -0.00445 -0.04277 0.05042 134 2S 0.09303 0.03809 -0.00723 -0.08905 0.11130 135 3S -0.42549 -0.03804 0.51003 0.61830 -0.93642 136 4PX -0.00150 -0.00578 0.00016 -0.00368 0.00656 137 4PY 0.00082 0.00243 -0.00496 -0.00090 -0.00174 138 4PZ 0.00135 0.00234 -0.00154 -0.00435 0.00323 139 5PX -0.05300 0.14563 0.07175 0.08708 -0.14296 140 5PY 0.09744 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4.84152 1.52722 4.29236 -0.65524 4 4PX -0.00629 -0.00202 -0.00304 -0.00262 0.00025 5 4PY -0.00242 -0.00423 0.01110 -0.00534 0.01440 6 4PZ -0.00577 0.01316 0.00360 0.02160 -0.01600 7 5PX -0.06441 0.11966 0.16083 0.20299 -0.07322 8 5PY 0.06684 -0.37122 -0.72531 -0.14693 -0.22450 9 5PZ 0.21261 -0.60156 -0.23423 -0.96557 0.60138 10 6PX 0.94660 -0.06733 0.58906 -0.07638 -0.25563 11 6PY 0.17461 0.30981 -0.84760 0.33292 0.03880 12 6PZ 0.42233 -0.79421 -1.32706 -1.14586 0.81718 13 7D 0 0.02963 -0.11863 -0.15735 -0.04386 -0.01438 14 7D+1 0.00399 0.05145 0.07551 0.05828 -0.00547 15 7D-1 0.05330 -0.06397 0.00938 -0.07524 0.04783 16 7D+2 -0.04470 -0.00989 0.11064 0.13671 0.00666 17 7D-2 0.10243 0.03328 0.04901 0.07489 -0.00692 18 8D 0 -0.04661 0.16534 0.24166 0.09369 0.00096 19 8D+1 -0.00876 -0.08404 -0.12537 -0.10868 0.01754 20 8D-1 -0.09354 0.16062 0.00289 0.12094 -0.06342 21 8D+2 0.06957 0.02201 -0.20265 -0.25109 0.01981 22 8D-2 -0.13561 -0.06062 -0.09035 -0.13511 0.01888 23 2 Cu 1S -0.00547 0.06289 0.00191 -0.07935 -0.07388 24 2S -0.00504 0.10133 -0.07502 -0.17541 -0.04692 25 3S 0.15155 -1.30325 -1.17878 1.61845 5.07236 26 4PX 0.00415 -0.00295 0.00065 0.00299 0.00658 27 4PY -0.00285 0.02135 -0.00779 -0.01139 -0.03964 28 4PZ -0.00038 0.00041 0.00621 -0.00459 0.00262 29 5PX 0.20335 0.01591 0.25847 0.44229 0.00668 30 5PY 0.13517 0.00892 -0.82795 -1.51550 0.38876 31 5PZ 0.12634 -0.02676 -0.59177 -0.76803 -0.40300 32 6PX -0.28231 0.05385 0.01609 0.19447 -0.10933 33 6PY 0.02291 -0.29343 0.00169 0.33851 0.67221 34 6PZ -0.04540 0.40323 -0.26917 -0.81366 0.07147 35 7D 0 0.03522 0.01948 0.06671 -0.01494 0.11622 36 7D+1 0.08728 -0.00937 -0.02445 0.04234 -0.01622 37 7D-1 0.01038 0.05796 -0.01967 -0.00018 -0.15411 38 7D+2 -0.04278 -0.06434 -0.03476 0.16417 -0.05395 39 7D-2 0.05431 -0.02823 -0.00423 0.06885 0.00879 40 8D 0 -0.06420 -0.01605 -0.11023 -0.00319 -0.27300 41 8D+1 -0.16013 0.03527 0.03822 -0.09761 0.01874 42 8D-1 -0.00492 -0.19218 0.02883 0.07265 0.34930 43 8D+2 0.07253 0.15561 0.03479 -0.38667 0.01646 44 8D-2 -0.09527 0.08237 -0.00222 -0.17005 -0.05885 45 3 Cu 1S -0.00597 0.08602 -0.00045 0.03827 0.02978 46 2S -0.00164 0.11056 -0.01255 0.03067 0.04480 47 3S -0.11341 -2.13202 -0.68583 -1.33354 -1.05421 48 4PX 0.00148 -0.00455 -0.00923 -0.00923 -0.00185 49 4PY -0.00787 -0.00154 0.00512 -0.01165 -0.00995 50 4PZ 0.00069 0.01464 -0.00238 0.00015 0.00208 51 5PX 0.08452 0.38702 0.11516 0.02334 0.18474 52 5PY 0.19823 -0.25639 -0.16758 0.29339 0.31670 53 5PZ 0.16196 -0.65786 -0.14154 -0.45087 0.14592 54 6PX -0.14445 0.46771 0.10171 0.22040 0.07202 55 6PY -0.05202 -0.36955 0.19623 0.54569 -0.01023 56 6PZ -0.13655 -0.36147 -0.17747 -0.01545 -0.02507 57 7D 0 0.04975 -0.03187 -0.07778 -0.05013 -0.04739 58 7D+1 0.06767 -0.02226 0.07172 -0.01437 -0.08950 59 7D-1 -0.09055 -0.01303 -0.07197 0.08263 -0.05127 60 7D+2 0.05506 -0.06689 0.03079 0.07644 -0.14730 61 7D-2 0.03121 -0.07168 -0.06751 0.03748 -0.02140 62 8D 0 -0.05989 0.03936 0.12275 0.04609 0.12392 63 8D+1 -0.11808 0.06615 -0.12030 0.03156 0.14923 64 8D-1 0.14974 0.02797 0.13176 -0.14498 0.08793 65 8D+2 -0.10342 0.09745 -0.05036 -0.12653 0.26741 66 8D-2 -0.06495 0.13991 0.13031 -0.05704 0.03015 67 4 Cu 1S -0.03748 0.08996 0.01068 0.03580 0.01252 68 2S -0.04396 0.11619 0.00641 0.02864 0.01469 69 3S 1.44752 -2.21618 -0.80083 -1.29179 -0.78008 70 4PX -0.00320 -0.00020 0.00641 0.01246 0.00455 71 4PY 0.00701 0.00276 0.00711 -0.00624 -0.00832 72 4PZ -0.00977 0.01477 0.00175 0.00289 0.00199 73 5PX 0.22755 -0.01422 0.00750 0.05210 -0.29134 74 5PY 0.02705 -0.39331 -0.16383 0.28420 0.22193 75 5PZ 0.32720 -0.74404 -0.19641 -0.43072 0.09542 76 6PX -0.08578 -0.17535 -0.17027 -0.26138 0.02582 77 6PY 0.08600 -0.49938 0.11002 0.39658 -0.04051 78 6PZ 0.33972 -0.44818 -0.16708 -0.15072 -0.03517 79 7D 0 -0.01450 -0.02813 -0.09288 -0.03132 -0.00170 80 7D+1 0.03891 0.01981 0.01908 0.03674 0.05164 81 7D-1 0.09293 0.03320 -0.04898 0.08597 -0.02385 82 7D+2 -0.01589 -0.11212 -0.01481 0.08005 -0.16429 83 7D-2 -0.04695 -0.01481 0.10077 -0.00542 -0.08466 84 8D 0 0.01730 0.01533 0.14895 0.01755 0.03933 85 8D+1 -0.04457 -0.04247 -0.02818 -0.03913 -0.10387 86 8D-1 -0.14673 -0.06569 0.08944 -0.14814 0.04124 87 8D+2 0.03369 0.20149 0.03582 -0.13084 0.29350 88 8D-2 0.08622 0.00256 -0.18486 0.00732 0.16312 89 5 Cu 1S -0.00184 0.03070 -0.00315 -0.05795 0.00196 90 2S 0.00326 0.07842 0.01607 -0.10982 -0.05056 91 3S -0.14932 0.00728 0.26047 0.13572 -1.61979 92 4PX 0.00284 -0.00417 -0.00150 -0.01034 -0.00942 93 4PY -0.00101 0.00600 0.00056 -0.01209 -0.00160 94 4PZ -0.00471 0.00348 0.00643 0.00567 -0.00868 95 5PX -0.01635 0.17699 -0.08999 -0.03481 0.39505 96 5PY 0.03790 -0.09780 -0.06415 0.05648 0.22351 97 5PZ 0.04281 -0.26152 -0.19501 -0.26266 0.31544 98 6PX 0.01381 0.03693 -0.07651 -0.03695 0.35168 99 6PY -0.15366 0.11818 -0.07031 -0.26154 0.11724 100 6PZ -0.19290 0.11708 0.16955 0.39561 0.01709 101 7D 0 0.06434 -0.05509 0.04823 -0.16349 0.02607 102 7D+1 0.05606 0.02885 -0.05628 0.08643 -0.09543 103 7D-1 -0.13804 0.03898 0.05992 0.08757 -0.00601 104 7D+2 -0.01490 0.09320 0.14891 -0.07183 0.07825 105 7D-2 0.18921 -0.12250 -0.14692 -0.05736 0.02246 106 8D 0 -0.09193 0.10631 -0.09622 0.28712 -0.05475 107 8D+1 -0.08780 -0.04853 0.11426 -0.13692 0.15367 108 8D-1 0.23881 -0.07254 -0.11647 -0.14714 -0.00424 109 8D+2 0.01764 -0.17069 -0.25528 0.15986 -0.15071 110 8D-2 -0.31488 0.21464 0.25230 0.11710 -0.06086 111 6 Cu 1S 0.00797 -0.08158 0.07094 0.05601 -0.10556 112 2S -0.00194 -0.08438 0.15580 0.09108 -0.18022 113 3S -0.60421 2.97997 -0.27712 -2.11921 1.98610 114 4PX 0.00456 -0.00148 -0.00090 0.00246 0.00061 115 4PY -0.00103 0.01125 0.00929 -0.01469 0.00194 116 4PZ 0.00214 0.00027 -0.00290 -0.00011 -0.00519 117 5PX -0.07037 0.00410 0.15210 -0.08061 -0.00337 118 5PY 0.10681 -0.50144 -0.41907 0.61510 -0.28869 119 5PZ -0.03486 0.22385 -0.31724 -0.18647 0.32716 120 6PX 0.11269 0.00592 -0.21485 -0.05920 0.13553 121 6PY 0.06032 -0.19519 0.49872 0.13175 -0.63147 122 6PZ -0.04781 0.11018 0.31659 -0.04104 -0.02201 123 7D 0 -0.05227 0.11590 -0.17107 0.07610 -0.06587 124 7D+1 -0.08794 -0.09745 0.06004 -0.03734 0.03242 125 7D-1 0.01579 0.03533 0.00689 0.00004 0.06328 126 7D+2 0.01006 -0.09973 -0.03290 -0.05157 0.11143 127 7D-2 0.09188 -0.04072 -0.01651 -0.01788 0.04007 128 8D 0 0.09109 -0.16711 0.24889 -0.12549 0.12278 129 8D+1 0.15898 0.14213 -0.08541 0.06259 -0.06596 130 8D-1 -0.02855 -0.02744 -0.01476 0.02040 -0.11064 131 8D+2 -0.01778 0.15240 0.05038 0.11246 -0.22442 132 8D-2 -0.14296 0.05676 0.02853 0.03586 -0.08236 133 7 Cu 1S -0.01238 0.02679 -0.00630 -0.06339 0.00545 134 2S -0.04543 0.06485 0.00905 -0.11902 -0.04431 135 3S 0.04353 -0.08440 0.39554 0.14352 -1.77237 136 4PX 0.00006 0.00144 -0.00094 0.01009 0.01159 137 4PY 0.00280 0.00776 0.00100 -0.00760 0.00269 138 4PZ 0.00359 0.00546 0.00656 0.01038 -0.00461 139 5PX -0.02995 -0.07056 0.17363 0.13111 -0.54397 140 5PY -0.02362 -0.15486 -0.01584 0.07020 0.03717 141 5PZ 0.12341 -0.29488 -0.16642 -0.24864 0.16690 142 6PX 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0.01612 0.00251 0.00114 0.00044 -0.00519 6 4PZ 0.01772 0.00176 0.00180 0.02976 0.00098 7 5PX 0.29999 -0.78038 -0.38750 -0.05604 0.70959 8 5PY -0.89475 -0.04914 -0.02671 -0.07669 0.17458 9 5PZ -0.97254 -0.09548 -0.04971 -0.33876 0.03338 10 6PX 0.41251 -2.35738 -1.36786 -0.23172 1.46040 11 6PY -1.65852 -0.04037 -0.06644 -0.17237 0.00243 12 6PZ -1.02968 -0.34900 -0.19931 0.38940 0.19631 13 7D 0 0.16230 -0.02173 0.00678 -0.01910 -0.02176 14 7D+1 0.01785 -0.05759 0.01955 0.00257 -0.06160 15 7D-1 -0.22665 -0.02201 -0.00049 0.04408 -0.01669 16 7D+2 0.13153 0.03163 0.01878 -0.04233 0.01107 17 7D-2 0.09805 -0.03124 -0.05632 -0.02148 -0.01547 18 8D 0 -0.26744 0.03675 -0.00189 0.04285 0.03527 19 8D+1 -0.04041 0.09835 0.00419 0.00044 0.08530 20 8D-1 0.40088 0.04815 0.00610 -0.06056 0.02847 21 8D+2 -0.25713 -0.08469 -0.03794 0.11528 -0.00499 22 8D-2 -0.17867 0.10751 0.08113 0.05654 0.00778 23 2 Cu 1S -0.00463 -0.00230 -0.00329 -0.01813 0.00262 24 2S -0.13593 -0.00754 -0.00355 0.07780 0.01432 25 3S -3.42736 -0.00044 0.19220 2.53305 0.05752 26 4PX -0.00178 0.00454 0.03313 -0.00076 0.01300 27 4PY 0.02350 0.00179 0.00574 -0.00416 0.00455 28 4PZ -0.01059 0.00170 0.00531 -0.01140 -0.00279 29 5PX 0.43567 -0.82167 -1.29369 -0.14631 -0.12859 30 5PY -2.12414 -0.19926 -0.24580 0.83530 0.06263 31 5PZ -0.48345 -0.16254 -0.22772 0.26714 0.05347 32 6PX 0.12508 0.25666 0.00203 -0.01295 -0.35372 33 6PY -0.43128 0.03358 0.00556 0.20232 -0.05308 34 6PZ -0.07427 0.08211 0.01748 0.08891 -0.10159 35 7D 0 0.10906 0.03718 -0.06534 0.04487 -0.00150 36 7D+1 -0.00103 0.13235 -0.20677 0.00724 -0.05515 37 7D-1 -0.12869 -0.01520 -0.05546 -0.02067 -0.02477 38 7D+2 0.03408 0.05336 0.06747 -0.03960 0.01639 39 7D-2 0.03434 -0.17897 -0.05763 -0.00222 -0.04185 40 8D 0 -0.19128 -0.07775 0.12247 -0.11621 0.00557 41 8D+1 -0.00007 -0.27389 0.39668 -0.00351 0.12418 42 8D-1 0.21812 0.02085 0.10354 0.03158 0.04587 43 8D+2 -0.07233 -0.08401 -0.11931 0.08536 -0.04058 44 8D-2 -0.06546 0.29632 0.07178 0.00657 0.09667 45 3 Cu 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8D+2 0.11896 -0.24581 0.18527 0.18055 -0.05919 66 8D-2 0.08477 0.26455 -0.08830 0.24739 -0.15310 67 4 Cu 1S -0.00332 -0.00865 0.11809 0.02614 -0.02092 68 2S 0.00056 -0.02328 0.16463 0.00411 -0.02271 69 3S -0.00496 0.42751 -3.45149 -1.32491 0.43171 70 4PX -0.00783 -0.00159 -0.00005 0.00354 -0.00167 71 4PY 0.00007 -0.01391 0.00042 -0.00795 -0.00824 72 4PZ 0.00316 -0.00345 0.02276 0.00884 -0.00427 73 5PX 0.06884 -0.02316 -0.54091 -0.26476 0.21260 74 5PY -0.45389 0.06827 0.12175 -0.09152 0.19465 75 5PZ -0.05189 0.07550 -0.66107 -0.36775 0.06332 76 6PX 0.13808 -0.12250 -0.36895 -0.10304 -0.03266 77 6PY 0.36450 -0.12231 -0.36465 -0.05442 0.05357 78 6PZ -0.10401 0.36694 -0.27740 -0.21084 0.03872 79 7D 0 0.15283 -0.09599 -0.01503 -0.01142 -0.09232 80 7D+1 -0.01736 0.07486 0.10040 0.08041 0.01831 81 7D-1 -0.03672 0.01457 -0.00992 -0.03877 -0.09931 82 7D+2 -0.10185 0.01236 -0.00196 -0.15217 -0.13418 83 7D-2 -0.03105 -0.21859 0.10676 0.01357 0.11169 84 8D 0 -0.27124 0.16701 0.03300 0.02525 0.17213 85 8D+1 0.02708 -0.12690 -0.20524 -0.17623 -0.03463 86 8D-1 0.02356 -0.04321 0.04194 0.07533 0.20701 87 8D+2 0.15977 -0.01050 -0.01300 0.28999 0.26174 88 8D-2 0.03051 0.40229 -0.20629 -0.03235 -0.20901 89 5 Cu 1S -0.02574 -0.08256 0.00483 0.06531 -0.00337 90 2S -0.04558 -0.10398 0.01335 0.12241 -0.03849 91 3S 0.05348 3.01708 0.61833 -0.66740 -0.83350 92 4PX 0.00723 0.01451 0.00516 -0.00108 -0.00350 93 4PY 0.00109 0.00193 0.00142 0.00189 -0.00034 94 4PZ -0.00677 0.00676 0.00617 -0.00510 -0.00241 95 5PX -0.12078 -0.69710 -0.27224 0.19173 0.28362 96 5PY -0.29295 0.03458 -0.24572 0.23137 -0.12586 97 5PZ -0.07037 -0.42310 -0.00944 0.12945 0.05876 98 6PX 0.13714 -0.18076 0.19650 0.15532 0.08141 99 6PY 0.12232 0.46897 0.14217 0.12363 -0.22461 100 6PZ -0.03110 0.10763 0.21889 0.00806 -0.19687 101 7D 0 0.08227 0.20290 -0.03398 -0.13251 0.03901 102 7D+1 -0.03697 -0.08281 -0.07532 0.13531 -0.08485 103 7D-1 -0.10415 -0.01195 -0.27192 -0.12818 0.10595 104 7D+2 0.01545 0.10240 0.13198 -0.07997 0.04950 105 7D-2 -0.03235 -0.00353 0.04416 0.09626 -0.03648 106 8D 0 -0.13984 -0.37509 0.05310 0.26332 -0.07389 107 8D+1 0.07881 0.18782 0.12936 -0.27926 0.15658 108 8D-1 0.19800 0.01288 0.51931 0.23916 -0.21160 109 8D+2 -0.02938 -0.18067 -0.25062 0.14494 -0.10750 110 8D-2 0.07751 -0.00927 -0.09880 -0.20398 0.07397 111 6 Cu 1S 0.04799 0.00426 -0.00179 -0.03271 -0.01185 112 2S 0.12584 0.00395 -0.00572 -0.00891 -0.01160 113 3S -0.70406 -0.22236 -0.09543 1.55284 0.43331 114 4PX -0.00129 0.00871 -0.00639 -0.00504 0.00789 115 4PY -0.00506 0.00123 -0.00103 0.02039 0.00626 116 4PZ 0.01243 0.00267 -0.00033 -0.00210 0.00208 117 5PX 0.00097 0.06256 -0.16250 0.16759 -0.06819 118 5PY 0.10052 0.06715 -0.00776 -0.65159 -0.14590 119 5PZ -0.16313 0.00343 -0.03853 -0.09165 -0.03475 120 6PX -0.22853 0.14279 -0.24648 0.05614 -0.00160 121 6PY 0.59694 -0.03216 -0.07530 -0.31475 0.03093 122 6PZ 0.42967 -0.04546 -0.06391 0.07817 0.14772 123 7D 0 0.06173 -0.00713 0.01018 -0.03062 0.06323 124 7D+1 -0.03819 -0.01644 0.04383 -0.05308 0.16087 125 7D-1 -0.13170 -0.01995 0.01533 0.11410 0.06858 126 7D+2 -0.16626 0.03043 -0.00243 -0.01844 -0.07869 127 7D-2 -0.04433 -0.07196 -0.01123 -0.05997 0.08950 128 8D 0 -0.09313 0.01599 -0.01792 0.03482 -0.13229 129 8D+1 0.06387 0.03474 -0.08407 0.10342 -0.32992 130 8D-1 0.23845 0.03381 -0.02213 -0.20757 -0.12937 131 8D+2 0.30582 -0.04743 -0.00514 0.00953 0.14406 132 8D-2 0.08144 0.11700 0.05015 0.09662 -0.15660 133 7 Cu 1S -0.02254 0.07917 -0.00497 0.06057 -0.01007 134 2S -0.04340 0.10407 -0.01605 0.09813 0.00924 135 3S -0.06940 -2.72408 -0.59469 -0.92887 0.89656 136 4PX -0.00313 0.01441 0.00762 0.00381 -0.00561 137 4PY -0.00063 0.00158 0.00054 0.00300 0.00208 138 4PZ -0.00909 -0.00052 -0.00404 -0.00430 0.00124 139 5PX 0.18894 -0.64204 -0.32430 -0.36590 0.20220 140 5PY -0.24053 -0.25994 0.15655 0.03904 0.23304 141 5PZ -0.00447 0.17623 -0.09003 0.03681 -0.01211 142 6PX -0.12047 0.09587 0.28902 -0.16998 -0.07724 143 6PY 0.02405 -0.51233 -0.05646 0.01020 0.24192 144 6PZ -0.10909 -0.07537 -0.10380 -0.09493 0.12441 145 7D 0 0.09428 -0.22332 -0.07100 -0.14786 -0.12321 146 7D+1 0.00588 0.00833 -0.19148 0.02953 0.01083 147 7D-1 -0.05334 -0.01341 0.18842 -0.13804 -0.18837 148 7D+2 -0.03727 -0.06947 -0.05541 0.00820 -0.05197 149 7D-2 0.05657 -0.07134 -0.13181 -0.04438 -0.03708 150 8D 0 -0.17029 0.42504 0.13672 0.30324 0.24213 151 8D+1 -0.02275 0.00796 0.35160 -0.04996 -0.02686 152 8D-1 0.09333 0.03930 -0.36958 0.26794 0.37065 153 8D+2 0.08391 0.13039 0.11980 -0.04264 0.10547 154 8D-2 -0.11578 0.11097 0.24493 0.08758 0.08532 155 8 Cu 1S -0.04274 0.00531 0.00563 0.03293 0.00171 156 2S -0.13959 0.01257 0.01377 0.09950 0.00196 157 3S 0.36645 -0.21827 -0.11974 0.27535 -0.05389 158 4PX 0.00024 -0.00143 0.00086 0.00015 -0.00236 159 4PY 0.00342 0.00021 0.00036 0.00185 -0.00220 160 4PZ -0.00298 -0.00033 0.00078 -0.00203 -0.00203 161 5PX -0.00136 0.11354 0.04715 0.06962 -0.06498 162 5PY 0.01522 0.06641 0.02552 -0.16185 0.00989 163 5PZ 0.06501 0.02561 0.00311 -0.07426 0.02361 164 6PX -0.01320 0.40420 0.35369 0.04897 -0.27449 165 6PY -0.18090 0.11518 0.08338 0.04852 -0.07085 166 6PZ 0.46964 0.00454 0.03190 -0.12916 0.03501 167 7D 0 0.05560 -0.00563 -0.01052 -0.07507 0.09372 168 7D+1 0.00922 -0.01938 -0.03407 -0.05273 0.25422 169 7D-1 -0.00114 0.01714 0.00352 0.26817 0.07456 170 7D+2 0.16135 -0.06420 -0.01907 0.09754 0.01824 171 7D-2 0.07859 0.08772 0.00998 0.02784 -0.15886 172 8D 0 -0.07562 0.01295 0.01756 0.15085 -0.18689 173 8D+1 -0.00971 0.03648 0.06053 0.09433 -0.50156 174 8D-1 -0.02374 -0.03435 -0.00844 -0.51741 -0.14784 175 8D+2 -0.25122 0.12699 0.03873 -0.20601 -0.04045 176 8D-2 -0.11682 -0.17084 -0.02176 -0.06528 0.31951 177 9 C 1S 0.00739 0.00053 -0.00047 -0.00018 0.00072 178 2S 0.02707 0.00687 0.03311 0.04756 -0.03750 179 3S -0.79890 -0.03034 -0.06887 0.13929 0.09368 180 4PX 0.03102 0.05330 0.02383 0.01711 -0.01927 181 4PY -0.12812 -0.00572 -0.01110 -0.07881 -0.01221 182 4PZ -0.03235 0.00281 -0.00007 0.00326 0.00260 183 5PX 0.10582 0.18561 0.56881 -0.11181 0.27125 184 5PY -0.26055 0.01808 0.10221 0.28350 0.11275 185 5PZ -0.33016 0.03281 0.08792 -0.05376 -0.00368 186 10 O 1S 0.00224 0.00023 0.00014 -0.00232 -0.00013 187 2S -0.00772 0.00205 0.00340 0.03922 -0.00034 188 3S -0.03540 -0.00975 -0.00418 -0.02393 -0.00281 189 4PX 0.02028 0.01410 0.13210 -0.01092 0.07870 190 4PY -0.05578 -0.00380 0.01780 0.00886 0.02463 191 4PZ -0.06773 0.00477 0.01671 -0.06127 -0.00747 192 5PX -0.03732 -0.08374 -0.37248 0.05607 -0.20398 193 5PY 0.07283 -0.01514 -0.07299 -0.11572 -0.06376 194 5PZ 0.15016 -0.02563 -0.05950 0.09706 0.01510 166 167 168 169 170 V V V V V EIGENVALUES -- 1.00192 1.02425 1.03496 1.05108 1.05519 1 1 Cu 1S 0.03673 0.03244 0.00339 -0.00537 0.04183 2 2S 0.19529 -0.04367 -0.00436 0.01275 0.05704 3 3S 1.50730 -4.01005 -0.25004 0.29484 -1.06027 4 4PX -0.00393 0.00134 -0.00910 -0.02115 -0.00705 5 4PY 0.01442 0.00141 0.00265 -0.02315 -0.00481 6 4PZ 0.00636 -0.01879 -0.00053 -0.01324 -0.00076 7 5PX 0.75235 0.15264 -0.34621 1.05409 0.57329 8 5PY -2.15105 -0.28017 -0.26639 1.16308 -0.34813 9 5PZ -0.97760 0.64418 -0.00556 0.19283 0.17721 10 6PX 1.24441 0.90208 -0.37228 1.75703 0.38333 11 6PY -3.23113 -1.74455 0.03896 -0.21594 0.49235 12 6PZ -1.27189 0.84301 0.16394 -0.48562 1.17395 13 7D 0 0.02736 -0.05015 0.06908 -0.04492 0.10921 14 7D+1 -0.02677 -0.01756 0.17139 0.03039 -0.07553 15 7D-1 0.09156 -0.01349 0.03361 -0.01934 0.06099 16 7D+2 0.01083 -0.09219 -0.01756 -0.01078 -0.06438 17 7D-2 -0.01565 -0.03495 -0.01802 -0.16486 -0.07995 18 8D 0 -0.01262 0.09601 -0.13753 0.10890 -0.22933 19 8D+1 0.04348 0.06930 -0.31232 -0.07781 0.16546 20 8D-1 -0.13674 -0.04899 -0.06184 0.01741 -0.13538 21 8D+2 0.05796 0.28079 0.03471 0.00525 0.20446 22 8D-2 0.05006 0.11722 0.05639 0.25386 0.16470 23 2 Cu 1S 0.00717 0.00203 -0.00610 0.02138 -0.04746 24 2S -0.05200 0.17694 -0.00145 0.01006 -0.01381 25 3S -1.26032 2.95474 0.29714 -0.89493 2.87716 26 4PX 0.00730 0.00623 -0.00396 0.00692 0.00331 27 4PY -0.00645 -0.03953 -0.00282 0.00475 -0.01324 28 4PZ -0.01223 0.02363 0.00287 -0.00722 0.02017 29 5PX 0.14786 -0.35817 0.04680 0.00301 -0.12389 30 5PY -0.80483 1.60192 0.03948 -0.01856 0.59118 31 5PZ -0.46965 0.07939 0.01414 -0.01488 0.06218 32 6PX 0.00897 -0.22795 0.12834 -0.27237 -0.30067 33 6PY -0.05279 0.29028 0.03400 -0.06250 0.23923 34 6PZ -0.46134 -0.40489 0.12446 -0.52614 0.26856 35 7D 0 -0.09214 -0.10687 0.05977 -0.06488 0.30157 36 7D+1 -0.00488 0.01849 0.14712 0.05449 -0.12701 37 7D-1 0.16143 -0.06598 0.04291 -0.06023 0.06858 38 7D+2 -0.03014 -0.05835 -0.04826 0.02189 -0.02647 39 7D-2 -0.06605 -0.02861 0.05572 -0.15056 -0.09551 40 8D 0 0.20129 0.20211 -0.12446 0.15856 -0.69611 41 8D+1 0.01707 -0.03051 -0.28723 -0.12370 0.29084 42 8D-1 -0.37783 0.18031 -0.08583 0.13615 -0.11756 43 8D+2 0.07025 0.16262 0.11641 -0.10239 0.07173 44 8D-2 0.14857 0.06927 -0.13391 0.31969 0.21699 45 3 Cu 1S 0.05921 -0.06463 -0.12624 -0.02120 -0.03385 46 2S 0.02106 -0.10997 -0.21571 -0.08263 -0.09521 47 3S -2.63418 1.16769 2.55465 -0.39029 -0.40519 48 4PX -0.02157 0.01744 0.01993 -0.00048 0.00597 49 4PY -0.00335 0.00866 0.00074 0.00498 0.00445 50 4PZ 0.01422 0.00177 -0.01723 0.00348 0.01774 51 5PX 0.60203 -0.11301 -0.55065 0.13665 0.30810 52 5PY -0.23213 0.44430 -0.04057 -0.02362 -0.01345 53 5PZ -0.67968 0.35632 0.36227 -0.17419 -0.03393 54 6PX 0.07850 -0.23470 -0.39915 -0.09944 0.15929 55 6PY 0.11841 0.17004 -0.11118 0.32510 -0.30819 56 6PZ -0.15123 0.38816 0.18359 -0.06577 0.26351 57 7D 0 0.04829 -0.06131 0.09186 0.00327 0.03182 58 7D+1 -0.13083 0.02213 0.18482 0.02881 -0.01616 59 7D-1 0.09948 0.07689 0.17947 0.04001 0.04016 60 7D+2 0.01992 -0.13199 -0.11988 -0.03743 0.02814 61 7D-2 -0.05724 0.06549 0.05544 -0.06955 -0.02547 62 8D 0 -0.10886 0.14995 -0.19399 -0.01947 -0.02287 63 8D+1 0.28789 -0.04374 -0.35889 -0.05466 0.05061 64 8D-1 -0.18447 -0.14764 -0.38627 -0.07978 -0.08546 65 8D+2 -0.04856 0.26789 0.27248 0.06573 -0.04293 66 8D-2 0.14151 -0.17753 -0.12169 0.13474 0.03736 67 4 Cu 1S 0.06450 -0.07480 0.11034 0.04841 -0.02638 68 2S 0.03759 -0.12986 0.20101 0.12168 -0.05026 69 3S -2.41206 1.45900 -2.10415 0.08830 0.22648 70 4PX 0.01622 -0.01866 0.00727 0.00789 -0.01106 71 4PY 0.00336 0.00238 0.00381 0.00424 0.00004 72 4PZ 0.01771 -0.00711 0.02044 -0.00464 0.00607 73 5PX -0.18576 -0.14763 -0.39207 0.21151 -0.06969 74 5PY -0.32562 0.48970 -0.09514 0.22069 0.02271 75 5PZ -0.74785 0.40885 -0.38878 0.08988 0.07914 76 6PX -0.15139 -0.11938 -0.33890 0.09444 -0.01867 77 6PY 0.10811 0.33241 -0.20279 0.57985 -0.18154 78 6PZ -0.12439 0.44465 -0.18031 -0.23944 0.12991 79 7D 0 0.08172 -0.10291 0.04193 0.04771 0.03572 80 7D+1 0.03298 -0.05042 0.25045 0.02979 -0.02599 81 7D-1 0.12537 0.01208 -0.04425 -0.04929 0.01514 82 7D+2 -0.04023 -0.04739 -0.01999 -0.02919 0.00991 83 7D-2 -0.01339 -0.15398 0.11463 -0.04248 -0.00398 84 8D 0 -0.18747 0.22830 -0.06811 -0.10480 -0.04651 85 8D+1 -0.07358 0.07874 -0.51945 -0.03066 0.03345 86 8D-1 -0.25048 -0.00513 0.10418 0.11157 -0.03452 87 8D+2 0.10037 0.07250 0.02333 0.05345 -0.00626 88 8D-2 0.00182 0.34356 -0.25607 0.06656 0.03134 89 5 Cu 1S -0.05942 0.11326 0.07321 -0.05529 0.11983 90 2S -0.12717 0.18067 0.17250 -0.12009 0.17835 91 3S -0.55758 -2.28256 -0.82381 -0.42818 -2.35288 92 4PX -0.00283 -0.00976 -0.00069 -0.01016 -0.00323 93 4PY -0.00638 -0.00201 -0.00958 0.01836 0.00297 94 4PZ 0.00469 -0.00964 -0.01347 0.00645 -0.02056 95 5PX 0.40612 0.52273 -0.03175 0.19963 0.59579 96 5PY -0.01882 0.17663 0.08832 -0.40957 0.03331 97 5PZ -0.22078 0.50472 0.28281 -0.13567 0.47787 98 6PX 0.00772 0.29101 0.24253 -0.06546 0.30913 99 6PY 0.34900 0.04999 0.03611 -0.37124 -0.06910 100 6PZ 0.01742 -0.04481 0.12392 -0.07395 -0.02902 101 7D 0 -0.05107 0.01983 0.12064 -0.07313 0.08274 102 7D+1 -0.14347 0.10807 0.15444 -0.00326 0.14103 103 7D-1 0.00533 0.04547 0.05375 -0.00043 0.14046 104 7D+2 0.14105 0.13118 0.04467 -0.04138 -0.02636 105 7D-2 0.02821 0.02720 -0.00513 -0.18746 -0.12481 106 8D 0 0.12093 -0.04950 -0.25886 0.15487 -0.16005 107 8D+1 0.29432 -0.26315 -0.31493 0.00566 -0.33656 108 8D-1 -0.00545 -0.09253 -0.09861 -0.00889 -0.31472 109 8D+2 -0.32047 -0.29701 -0.08510 0.10908 0.01808 110 8D-2 -0.03374 -0.06843 0.02212 0.39453 0.25859 111 6 Cu 1S -0.07607 0.11642 -0.00255 0.04493 -0.03042 112 2S -0.08954 0.20342 -0.00249 0.05392 -0.02735 113 3S 2.43964 -2.22874 0.09293 -1.51813 1.16656 114 4PX 0.00151 0.00495 -0.00542 -0.00523 -0.00401 115 4PY 0.01253 -0.02137 -0.00069 -0.01255 0.01192 116 4PZ -0.02232 -0.00295 -0.00150 0.00223 -0.00568 117 5PX 0.14726 0.05408 -0.19029 0.12483 0.08380 118 5PY -0.83935 0.13971 -0.03533 0.31413 -0.36018 119 5PZ 0.16448 -0.25952 0.05334 -0.38227 0.22537 120 6PX 0.00262 0.14055 -0.03490 -0.30031 0.26876 121 6PY -0.12534 0.19618 -0.13430 0.63077 -0.68715 122 6PZ 0.03854 -0.53447 -0.16482 0.49296 -0.50745 123 7D 0 0.09021 0.07661 0.01436 -0.02258 0.02702 124 7D+1 -0.03810 -0.10017 0.04699 -0.06955 -0.03667 125 7D-1 0.07549 0.06149 0.01368 -0.03310 0.02667 126 7D+2 0.11774 -0.20390 0.00147 -0.04894 0.08331 127 7D-2 0.03379 -0.08339 -0.02272 -0.05376 0.02398 128 8D 0 -0.19908 -0.20023 -0.02090 0.00891 -0.04457 129 8D+1 0.07335 0.23414 -0.10350 0.15619 0.06709 130 8D-1 -0.13932 -0.17729 -0.02486 0.06823 -0.05988 131 8D+2 -0.26325 0.41088 -0.01447 0.11253 -0.18759 132 8D-2 -0.08235 0.18087 0.07869 0.11478 -0.05835 133 7 Cu 1S -0.06697 0.10642 -0.01758 -0.14320 0.08197 134 2S -0.14347 0.17589 -0.07463 -0.24025 0.13012 135 3S -0.21631 -1.73633 0.07141 2.97744 -1.05673 136 4PX 0.00212 0.01082 -0.00237 -0.02233 0.00067 137 4PY -0.00542 0.00044 0.00639 -0.01465 -0.00562 138 4PZ 0.00646 -0.00581 0.00712 0.00935 -0.01832 139 5PX -0.23190 -0.59710 -0.12448 0.80391 -0.37117 140 5PY -0.03028 0.10211 -0.11155 0.56767 0.18334 141 5PZ -0.30278 0.32805 -0.16740 -0.08094 0.30821 142 6PX -0.16903 -0.36696 0.14971 0.19654 -0.29812 143 6PY 0.39151 0.17727 0.06945 0.22420 0.08435 144 6PZ 0.06748 0.03907 -0.04394 0.08173 -0.06690 145 7D 0 0.04476 -0.03871 -0.01158 0.10419 0.01682 146 7D+1 0.17168 -0.08137 0.14723 0.11718 -0.20271 147 7D-1 0.05927 0.00125 -0.00121 -0.02890 0.06664 148 7D+2 0.05661 0.14446 -0.02803 -0.08010 -0.01243 149 7D-2 -0.01129 0.03127 -0.02253 -0.18556 -0.04251 150 8D 0 -0.08670 0.08514 0.03549 -0.23189 -0.01550 151 8D+1 -0.36533 0.19131 -0.30325 -0.25820 0.43456 152 8D-1 -0.12838 0.01327 -0.00247 0.06146 -0.14763 153 8D+2 -0.12110 -0.33289 0.03346 0.19119 -0.00891 154 8D-2 -0.00765 -0.07301 0.04540 0.40407 0.07469 155 8 Cu 1S -0.18492 -0.12538 0.00771 -0.04582 -0.00512 156 2S -0.34563 -0.16931 0.01954 -0.09652 0.01526 157 3S 3.48911 4.37332 0.13021 -0.01441 0.58341 158 4PX -0.00134 -0.00582 -0.00347 0.01884 0.00543 159 4PY 0.01262 0.01994 0.00232 -0.00838 0.00878 160 4PZ 0.00215 0.01126 -0.00015 0.00569 -0.00337 161 5PX 0.24839 0.30794 0.11104 -0.41617 -0.06229 162 5PY -0.98334 -0.85533 -0.07591 0.27282 -0.40135 163 5PZ -0.20667 -0.73755 0.02730 -0.23689 -0.01156 164 6PX -0.03328 0.10151 0.10833 -0.20377 -0.06528 165 6PY -0.22545 -0.41968 0.08328 -0.40134 0.25087 166 6PZ 0.39770 -0.48840 -0.09542 0.34855 -0.51819 167 7D 0 0.06583 -0.02291 0.02571 -0.15645 0.03618 168 7D+1 0.00308 0.08944 -0.01203 -0.07690 -0.05061 169 7D-1 0.03682 -0.13282 0.00579 -0.08570 0.02303 170 7D+2 0.22755 0.12631 -0.02241 0.08622 0.13230 171 7D-2 0.09562 0.06662 0.07412 -0.25332 -0.04022 172 8D 0 -0.13705 0.07362 -0.05956 0.34478 -0.08683 173 8D+1 -0.02369 -0.21835 0.01973 0.16048 0.10303 174 8D-1 -0.05531 0.32908 -0.01414 0.19307 -0.03286 175 8D+2 -0.51342 -0.29879 0.04959 -0.19094 -0.31073 176 8D-2 -0.22504 -0.16799 -0.15951 0.54934 0.07401 177 9 C 1S -0.01657 -0.00503 0.00038 -0.00265 -0.00120 178 2S 0.32146 0.13918 0.01729 -0.00504 0.22242 179 3S -0.79032 0.16184 -0.02394 0.00190 -0.22064 180 4PX -0.06063 0.00582 -0.01534 -0.00661 0.01784 181 4PY 0.24044 -0.00814 -0.00919 0.02252 -0.00670 182 4PZ 0.09835 -0.03096 -0.01332 0.03697 -0.08749 183 5PX 0.12593 -0.05934 -0.21137 0.30240 0.10693 184 5PY -0.12614 0.04073 -0.03011 -0.04040 0.18013 185 5PZ -0.18068 0.70317 -0.00154 0.03416 0.03484 186 10 O 1S -0.00147 -0.00372 -0.00061 0.00200 -0.00546 187 2S -0.03810 0.05202 0.00983 -0.02937 0.08958 188 3S 0.20601 -0.00682 -0.00690 0.02306 -0.06291 189 4PX 0.01723 0.00351 -0.05219 0.07344 0.03688 190 4PY 0.04460 -0.06283 -0.01297 0.00808 0.01331 191 4PZ -0.04756 0.13226 -0.00024 0.00823 -0.01553 192 5PX -0.09960 0.01050 0.16077 -0.22017 -0.08467 193 5PY 0.08825 0.09247 0.02470 0.01447 -0.14572 194 5PZ 0.19437 -0.41667 0.00160 -0.02698 0.02529 171 172 173 174 175 V V V V V EIGENVALUES -- 1.08050 1.10605 1.12493 1.13847 1.20034 1 1 Cu 1S 0.02107 -0.00962 0.01686 0.03154 -0.01596 2 2S 0.07500 -0.02187 0.07853 0.07018 -0.03959 3 3S 0.11463 0.43482 0.76645 -2.60489 0.10783 4 4PX 0.02071 0.01566 -0.00147 0.01038 0.03899 5 4PY -0.02846 -0.00103 0.00810 0.00427 0.00592 6 4PZ -0.01113 0.00721 0.01101 -0.03767 0.00514 7 5PX -0.94291 -0.27745 0.66967 -0.38121 0.94569 8 5PY 0.75324 0.08653 -1.73910 1.40616 0.52883 9 5PZ -0.43830 -0.04362 -0.52819 0.01637 0.19370 10 6PX -1.15455 -0.24239 0.82771 0.26986 1.82699 11 6PY -0.49897 0.37273 -1.66366 -1.21798 0.59564 12 6PZ -0.98566 -0.08051 -0.23763 -0.20960 0.34662 13 7D 0 -0.02568 -0.03683 -0.03653 -0.11457 0.01080 14 7D+1 -0.01543 -0.13004 0.02847 0.01906 0.05303 15 7D-1 0.05341 0.01493 -0.18687 0.02061 0.08015 16 7D+2 -0.20500 -0.03570 -0.13600 0.01594 -0.09001 17 7D-2 -0.02627 0.13752 0.01995 0.03199 0.22368 18 8D 0 0.10236 0.07061 0.08393 0.35029 -0.02840 19 8D+1 0.01997 0.27791 -0.05155 -0.04619 -0.15503 20 8D-1 -0.11683 -0.02547 0.41894 -0.11834 -0.22212 21 8D+2 0.37945 0.05459 0.37487 0.00783 0.24358 22 8D-2 0.08823 -0.30708 -0.03046 -0.03904 -0.64656 23 2 Cu 1S -0.01394 -0.00927 -0.00845 0.09493 -0.00250 24 2S -0.06533 -0.05930 -0.04176 0.44867 -0.00172 25 3S 0.20985 -0.51820 -0.13092 3.04866 0.00648 26 4PX -0.00505 0.00480 0.00696 0.01221 0.00649 27 4PY 0.00113 0.00828 -0.00009 -0.04593 0.00316 28 4PZ -0.00395 0.00259 -0.00928 -0.01548 0.00157 29 5PX -0.03745 0.18856 0.17955 -0.67737 1.37600 30 5PY -0.16546 -0.40925 -0.54246 3.08926 0.29872 31 5PZ -0.25353 -0.05158 -0.26607 0.46546 0.24761 32 6PX 0.44926 -0.01796 -0.06870 0.08537 -0.16295 33 6PY 0.23914 -0.04071 -0.00489 0.27320 -0.00616 34 6PZ -0.55596 0.03651 -0.03243 -0.72136 -0.08875 35 7D 0 0.00472 -0.02414 -0.06662 0.16251 -0.00555 36 7D+1 -0.02037 0.02187 -0.00921 -0.04205 -0.02084 37 7D-1 0.03603 -0.01583 0.01705 0.09856 -0.04586 38 7D+2 -0.15097 -0.01904 -0.14293 0.10287 0.09828 39 7D-2 0.04582 0.01585 -0.07948 0.03388 -0.21726 40 8D 0 -0.01180 0.06338 0.16373 -0.39538 0.03431 41 8D+1 0.01577 -0.04401 0.03199 0.12187 0.10981 42 8D-1 -0.06241 0.05594 -0.06109 -0.30754 0.14484 43 8D+2 0.25747 0.02116 0.34798 -0.22825 -0.30134 44 8D-2 -0.15613 -0.03049 0.20420 -0.06171 0.62830 45 3 Cu 1S 0.03164 -0.01517 0.02053 -0.01835 -0.04101 46 2S 0.05097 -0.00126 -0.01742 -0.16966 -0.20756 47 3S -0.13979 0.40386 -1.30931 -1.51958 -1.56349 48 4PX -0.00171 0.00033 -0.00371 -0.02635 -0.00806 49 4PY 0.00542 -0.00080 -0.01965 -0.00372 -0.00324 50 4PZ -0.00027 0.00687 -0.00265 0.01933 0.02026 51 5PX -0.25829 -0.10224 0.45226 0.35462 1.01396 52 5PY 0.11095 -0.08694 -0.14176 0.64588 0.18594 53 5PZ -0.18103 0.03587 -0.14823 -0.74445 -0.03643 54 6PX -0.18239 0.06186 0.11608 -0.12194 0.39904 55 6PY 0.62111 -0.02308 -0.14133 0.76803 0.00075 56 6PZ -0.22245 0.11498 0.00440 -0.32185 0.25904 57 7D 0 0.06381 0.02329 -0.06229 0.03017 -0.07857 58 7D+1 -0.01679 -0.06190 0.03779 -0.07791 0.00225 59 7D-1 0.01190 0.15378 -0.10905 -0.16536 -0.04915 60 7D+2 -0.09447 -0.02151 0.03305 -0.00385 0.02561 61 7D-2 -0.03810 0.09685 -0.06597 0.08080 0.01858 62 8D 0 -0.15805 -0.04355 0.14777 -0.07852 0.23635 63 8D+1 0.02036 0.12001 -0.03881 0.18402 0.01790 64 8D-1 -0.02035 -0.34167 0.23298 0.43657 0.11004 65 8D+2 0.19394 0.05298 -0.07978 0.04267 -0.08873 66 8D-2 0.09003 -0.21065 0.18576 -0.19025 -0.06337 67 4 Cu 1S 0.02461 0.01448 0.01999 -0.01223 0.06188 68 2S -0.02303 0.04515 -0.00143 -0.17476 0.25586 69 3S -1.37519 0.33527 -0.97543 -1.87602 1.61677 70 4PX -0.00228 -0.00260 0.01140 0.01913 -0.00242 71 4PY 0.00708 0.00245 -0.01352 0.00696 0.00402 72 4PZ 0.01445 -0.01541 -0.00266 0.02896 -0.02208 73 5PX -0.15710 0.05343 -0.14065 -0.39348 1.03169 74 5PY -0.03266 0.03588 -0.22163 0.51274 0.37008 75 5PZ -0.44929 0.20223 -0.20962 -0.95323 0.35799 76 6PX -0.10733 0.11679 -0.04139 -0.10270 0.44868 77 6PY 0.39137 -0.02203 -0.11098 0.74679 0.29740 78 6PZ -0.13778 -0.02065 -0.04817 -0.33411 -0.18177 79 7D 0 0.03056 -0.05219 -0.05617 0.08487 0.07718 80 7D+1 -0.03565 -0.03604 0.03479 0.11243 -0.08450 81 7D-1 0.05340 -0.08021 -0.07699 -0.17124 0.02412 82 7D+2 -0.07752 -0.05670 -0.05375 -0.01184 -0.00603 83 7D-2 -0.01189 0.13183 0.10579 0.01977 -0.04048 84 8D 0 -0.07015 0.09998 0.10798 -0.21167 -0.21558 85 8D+1 0.07169 0.08132 -0.09388 -0.26783 0.26222 86 8D-1 -0.10776 0.16474 0.14284 0.44870 -0.02694 87 8D+2 0.14964 0.10540 0.15654 0.05182 0.02123 88 8D-2 0.01399 -0.29089 -0.25596 -0.03758 0.09709 89 5 Cu 1S -0.13188 0.00712 0.04706 -0.07341 0.12221 90 2S -0.22078 -0.00729 0.06279 -0.10551 0.13180 91 3S 2.63946 0.24041 -1.65771 1.08678 -3.07288 92 4PX 0.02618 0.00550 -0.00601 0.00377 -0.02046 93 4PY -0.00262 -0.01082 0.00436 0.00211 0.00122 94 4PZ 0.01477 0.00099 -0.00647 0.00854 -0.01620 95 5PX -0.82195 -0.11793 0.57215 -0.09264 0.98815 96 5PY 0.18998 0.07145 -0.10875 0.47543 0.08453 97 5PZ -0.38277 0.03229 0.14547 -0.25864 0.60821 98 6PX -0.24333 -0.05412 0.18160 -0.10027 0.11236 99 6PY 0.09762 -0.08241 0.19971 -0.05103 -0.49573 100 6PZ 0.08652 0.04775 0.04965 -0.16733 0.10480 101 7D 0 0.02919 0.08009 -0.07520 -0.04540 -0.02274 102 7D+1 -0.14794 -0.08068 0.08370 -0.02040 0.15430 103 7D-1 0.04098 0.06102 -0.03813 0.07296 0.02915 104 7D+2 -0.22526 0.04482 -0.01212 0.04533 0.12841 105 7D-2 -0.03157 0.03921 -0.05858 0.09512 0.02951 106 8D 0 -0.05499 -0.17863 0.19178 0.11621 0.08534 107 8D+1 0.33257 0.16895 -0.20567 0.04692 -0.41745 108 8D-1 -0.09439 -0.11962 0.07924 -0.18967 -0.09547 109 8D+2 0.50382 -0.10622 -0.01118 -0.10164 -0.34147 110 8D-2 0.07226 -0.06539 0.13962 -0.25043 -0.06114 111 6 Cu 1S 0.07048 0.00541 -0.05499 0.11465 0.01197 112 2S 0.10829 0.00684 -0.01231 0.13572 0.00012 113 3S -1.92974 -0.38051 1.95977 -1.80257 -0.41356 114 4PX 0.00724 -0.02739 -0.00035 -0.00484 -0.00507 115 4PY -0.01381 -0.00706 -0.00319 -0.00921 -0.00454 116 4PZ 0.00249 -0.00491 0.00095 0.00883 0.00051 117 5PX -0.01027 0.28440 0.12627 0.27767 0.21185 118 5PY 0.19096 0.24319 -0.66616 -0.08329 0.26123 119 5PZ -0.62559 0.11401 0.08862 -0.98828 0.01797 120 6PX -0.16278 -0.10593 0.08727 -0.25723 -0.09303 121 6PY 0.45417 0.02152 -0.31118 0.61917 0.09050 122 6PZ 0.35690 -0.05427 -0.12337 0.58982 0.07313 123 7D 0 0.08301 -0.14317 -0.02970 0.16439 0.00526 124 7D+1 0.00400 -0.30068 0.06044 -0.10331 0.02797 125 7D-1 0.00292 -0.03523 -0.19178 -0.04274 0.03940 126 7D+2 -0.11223 -0.00116 0.14479 0.02134 -0.08776 127 7D-2 -0.04945 0.10294 0.10645 0.02351 0.10857 128 8D 0 -0.24002 0.33058 0.05344 -0.46996 -0.01361 129 8D+1 0.02208 0.66558 -0.13249 0.28230 -0.08128 130 8D-1 -0.01021 0.09054 0.38139 0.07514 -0.09267 131 8D+2 0.24029 0.00092 -0.37496 -0.04179 0.22907 132 8D-2 0.11294 -0.21155 -0.24800 -0.03801 -0.27802 133 7 Cu 1S -0.06568 -0.01581 0.01682 -0.06800 -0.12694 134 2S -0.14765 -0.00580 0.02165 -0.09620 -0.11729 135 3S 0.13279 0.15073 -0.75434 0.92654 3.79027 136 4PX -0.01158 -0.00233 0.00001 -0.00607 -0.02838 137 4PY 0.00735 0.01079 0.00588 0.00515 -0.01419 138 4PZ 0.00487 0.00140 -0.00190 0.00605 0.01055 139 5PX 0.14048 0.18706 -0.26734 -0.04358 1.36878 140 5PY -0.16055 -0.16507 -0.12456 0.42174 0.43549 141 5PZ -0.16014 -0.02958 -0.06025 -0.27142 -0.29031 142 6PX 0.26733 0.01303 -0.27013 0.15564 0.09774 143 6PY -0.34958 -0.00911 0.25688 -0.02897 0.39365 144 6PZ -0.00914 0.00512 0.01344 -0.10630 -0.10471 145 7D 0 -0.00376 -0.08186 -0.09111 -0.05761 0.11830 146 7D+1 -0.02215 -0.01538 -0.01029 0.04207 0.07471 147 7D-1 0.11711 -0.07471 -0.04211 0.04280 0.01517 148 7D+2 -0.22175 -0.11681 -0.07171 0.06960 -0.17245 149 7D-2 -0.01105 0.02344 0.00458 -0.06392 -0.10662 150 8D 0 0.02944 0.17248 0.21671 0.14387 -0.33468 151 8D+1 0.05549 0.03131 0.01649 -0.10137 -0.19613 152 8D-1 -0.26678 0.15983 0.08720 -0.11366 -0.01785 153 8D+2 0.48117 0.26812 0.13791 -0.18444 0.45588 154 8D-2 0.03042 -0.02621 -0.02191 0.18842 0.29304 155 8 Cu 1S -0.09148 0.01877 -0.08485 -0.09197 0.03296 156 2S -0.15904 0.02456 -0.16621 -0.09982 0.05338 157 3S 0.61034 -0.57650 2.28238 2.16512 -0.49864 158 4PX -0.00809 0.01186 -0.00572 -0.00469 -0.01564 159 4PY -0.01127 -0.00234 0.01748 0.01602 -0.00652 160 4PZ 0.00050 -0.00029 0.01361 0.00970 -0.00511 161 5PX 0.27904 -0.17720 0.20448 0.19121 0.01734 162 5PY 0.23982 0.12927 -0.88509 -0.08665 0.17695 163 5PZ -0.30566 0.07216 -0.15039 -0.82557 0.07137 164 6PX 0.25082 0.07651 -0.04357 0.14415 -0.38910 165 6PY -0.35346 0.07208 -0.01794 -0.69129 -0.07247 166 6PZ 0.24773 0.03038 -0.02403 0.14062 -0.02113 167 7D 0 -0.09360 -0.07059 0.07687 -0.15403 0.01838 168 7D+1 0.10950 -0.19404 0.03042 0.06204 0.04747 169 7D-1 0.02697 -0.00147 -0.20965 -0.14669 0.05609 170 7D+2 -0.09218 0.01893 0.09499 -0.03464 -0.08828 171 7D-2 0.12338 0.01604 0.10750 0.02796 0.10668 172 8D 0 0.22087 0.15492 -0.22351 0.42631 -0.03741 173 8D+1 -0.26220 0.43680 -0.05782 -0.17910 -0.10359 174 8D-1 -0.03508 -0.00097 0.47430 0.35881 -0.13314 175 8D+2 0.18374 -0.03490 -0.25272 0.07958 0.20921 176 8D-2 -0.29549 -0.03685 -0.25947 -0.07165 -0.23334 177 9 C 1S -0.01015 0.00019 -0.01165 -0.00073 0.00089 178 2S 0.33713 0.05866 0.28106 -0.43107 -0.01387 179 3S -0.63372 -0.22003 -0.61103 1.52777 0.03706 180 4PX -0.02704 -0.00955 -0.05152 0.01723 0.03201 181 4PY 0.09860 -0.00326 0.18217 -0.04634 -0.01294 182 4PZ 0.05074 0.00662 0.09313 -0.05967 -0.00062 183 5PX -0.14722 0.01003 0.07955 -0.15254 0.14565 184 5PY -0.22724 -0.11453 -0.12511 0.63952 0.03538 185 5PZ -0.10958 -0.02940 0.03611 0.11693 0.00589 186 10 O 1S -0.00170 0.00011 -0.00213 0.00408 0.00004 187 2S 0.01908 0.00407 -0.01504 -0.06891 0.00523 188 3S 0.04041 -0.00875 0.15489 0.03932 -0.02006 189 4PX -0.04569 0.00107 0.00788 0.00146 0.07452 190 4PY -0.01113 -0.00816 0.02023 0.02996 0.01256 191 4PZ -0.02832 0.00710 0.02732 -0.06335 0.00592 192 5PX 0.12585 0.00342 -0.06113 0.01247 -0.20654 193 5PY 0.07985 0.02692 0.09726 -0.14377 -0.05260 194 5PZ 0.08051 -0.01840 -0.02418 0.15350 -0.02412 176 177 178 179 180 V V V V V EIGENVALUES -- 1.24102 1.27551 1.27935 1.28930 1.30862 1 1 Cu 1S 0.00189 -0.09052 0.02778 0.02125 -0.10972 2 2S 0.00575 -0.24240 0.07304 0.05444 -0.31516 3 3S 0.03066 -0.24819 0.00058 0.07515 -1.29461 4 4PX -0.00115 -0.00161 -0.01367 0.00787 0.01867 5 4PY -0.00032 0.00127 -0.00143 -0.01582 -0.01160 6 4PZ 0.00070 -0.03353 0.00942 -0.01118 -0.05306 7 5PX -0.18538 -0.06722 0.35881 -0.13169 -0.52658 8 5PY -0.09071 0.47631 -0.05213 -0.28625 -0.12407 9 5PZ -0.02893 0.56535 -0.21102 0.63910 1.56438 10 6PX -0.41234 -0.28742 0.13084 0.18745 0.14881 11 6PY -0.09334 1.14800 -0.35459 -1.27794 -0.49372 12 6PZ -0.07678 -0.05775 0.07677 -0.50104 -0.91011 13 7D 0 -0.04762 0.17123 0.01920 0.07264 0.27696 14 7D+1 -0.15968 0.04373 0.27058 0.03042 -0.12430 15 7D-1 -0.02794 0.18768 -0.01776 -0.12631 -0.01410 16 7D+2 0.01691 0.11351 -0.06111 -0.06197 -0.01120 17 7D-2 0.04190 -0.02954 -0.07478 0.00798 -0.01169 18 8D 0 0.12364 -0.44851 -0.05527 -0.22296 -0.79090 19 8D+1 0.42332 -0.12268 -0.74086 -0.08021 0.35398 20 8D-1 0.07590 -0.53495 0.05271 0.38436 0.05402 21 8D+2 -0.04442 -0.32458 0.16725 0.18803 0.04125 22 8D-2 -0.11111 0.08715 0.22056 -0.01910 0.03781 23 2 Cu 1S -0.00268 -0.02163 0.01884 -0.03671 -0.00138 24 2S -0.01173 -0.03830 0.05387 -0.15145 -0.03751 25 3S -0.07170 0.66698 0.06809 -1.66383 -0.23935 26 4PX -0.01269 -0.00716 -0.01423 -0.00621 -0.00914 27 4PY -0.00096 0.01288 -0.01597 0.03644 -0.01115 28 4PZ -0.00230 -0.01157 0.00638 -0.03014 0.02816 29 5PX -0.32180 0.13313 0.51244 0.02036 0.07491 30 5PY -0.12042 -0.11024 0.32517 -0.54286 0.22151 31 5PZ -0.04976 0.45420 -0.24609 1.17059 -0.51455 32 6PX 0.09469 -0.04776 -0.10873 0.17980 0.06297 33 6PY 0.00414 0.19823 -0.06296 -0.20056 -0.16698 34 6PZ 0.03204 -0.25555 0.11362 -0.28640 0.46586 35 7D 0 0.08280 0.01948 0.01003 0.00529 -0.03855 36 7D+1 0.26217 0.00899 0.04813 0.02734 -0.01364 37 7D-1 0.03168 -0.03861 0.04892 -0.26425 0.12197 38 7D+2 -0.02401 -0.08679 0.07665 -0.04815 0.15977 39 7D-2 -0.08314 -0.07049 -0.08525 0.02154 0.04981 40 8D 0 -0.22638 -0.06142 -0.02620 -0.00447 0.11476 41 8D+1 -0.71488 -0.03419 -0.13264 -0.05468 0.04869 42 8D-1 -0.09368 0.12540 -0.13980 0.71169 -0.33573 43 8D+2 0.08221 0.22144 -0.21258 0.18758 -0.46149 44 8D-2 0.18756 0.18371 0.23818 -0.03513 -0.15254 45 3 Cu 1S -0.03424 0.03807 -0.06379 -0.02605 0.03543 46 2S -0.04466 0.07486 -0.17765 -0.03712 0.10077 47 3S 0.87954 -0.03094 -0.86661 0.21127 0.75025 48 4PX 0.00913 0.01930 -0.01769 0.01129 0.00599 49 4PY -0.01869 0.00307 -0.00091 0.01123 0.00196 50 4PZ -0.00780 0.01661 0.02649 0.02078 -0.00615 51 5PX -0.38715 -0.50122 0.50054 -0.00644 -0.29779 52 5PY 0.15590 0.21170 0.08715 -1.14893 -0.20347 53 5PZ 0.11064 -0.25811 -0.56013 0.02037 0.63076 54 6PX -0.12855 0.37148 0.07035 0.13037 0.00836 55 6PY -0.16984 0.04289 0.01704 0.33409 0.06749 56 6PZ -0.01589 0.19757 0.28274 0.11571 -0.12292 57 7D 0 -0.10140 0.08617 0.00741 0.09469 -0.12568 58 7D+1 -0.00683 0.07627 -0.33187 -0.01866 0.10388 59 7D-1 -0.08662 -0.07034 0.00241 0.08426 -0.01531 60 7D+2 -0.21797 -0.09026 -0.07310 0.06225 -0.11518 61 7D-2 0.04589 -0.04317 0.00767 -0.18178 -0.05982 62 8D 0 0.24838 -0.24247 -0.01218 -0.22710 0.37673 63 8D+1 0.01877 -0.23308 0.89984 0.02620 -0.30464 64 8D-1 0.21310 0.19751 -0.00667 -0.23405 0.05562 65 8D+2 0.56761 0.21783 0.21356 -0.16340 0.34650 66 8D-2 -0.09818 0.09866 -0.01930 0.53438 0.19081 67 4 Cu 1S 0.03502 0.08607 0.01789 -0.00040 0.04156 68 2S 0.04979 0.20697 0.06581 0.02451 0.10013 69 3S -0.85100 0.49928 0.64101 0.21813 0.31569 70 4PX -0.00173 -0.02106 0.01668 -0.01293 0.00679 71 4PY 0.02017 -0.00322 -0.00120 -0.00330 -0.01906 72 4PZ 0.00907 -0.01831 -0.03124 0.00641 -0.00146 73 5PX -0.23888 0.49355 -0.21104 0.18897 -0.31548 74 5PY -0.34958 0.34268 0.10347 -0.87936 0.26886 75 5PZ -0.19409 0.44081 0.52767 0.24693 0.53665 76 6PX -0.17880 -0.17963 0.44459 -0.01018 0.20419 77 6PY 0.08567 0.03067 0.04666 0.04643 -0.42765 78 6PZ -0.03454 -0.15284 -0.19893 -0.06604 -0.10218 79 7D 0 0.08828 -0.12370 -0.17049 0.02613 -0.13780 80 7D+1 -0.03606 -0.22130 -0.05149 -0.08305 0.03259 81 7D-1 0.12809 -0.12932 -0.04274 0.09116 -0.09205 82 7D+2 0.15139 0.02609 0.15443 0.05193 0.01401 83 7D-2 0.15234 0.07481 0.02932 0.13185 -0.06978 84 8D 0 -0.21581 0.32423 0.44291 -0.03392 0.41678 85 8D+1 0.07944 0.60427 0.12896 0.23764 -0.08573 86 8D-1 -0.31890 0.36119 0.10658 -0.26234 0.25519 87 8D+2 -0.40261 -0.10586 -0.40551 -0.12854 -0.02058 88 8D-2 -0.38692 -0.21401 -0.07085 -0.38784 0.18329 89 5 Cu 1S 0.00487 0.04722 0.01125 0.02893 0.04387 90 2S 0.03330 0.12697 0.01052 0.01732 0.07474 91 3S 0.41236 0.46003 -0.37135 -0.71447 -0.14487 92 4PX 0.00689 0.00254 0.01601 -0.01154 -0.00329 93 4PY 0.01603 -0.01079 0.01125 -0.00262 0.01077 94 4PZ 0.00430 0.01050 -0.02268 -0.00015 0.00852 95 5PX -0.20877 -0.05120 -0.10715 0.39567 -0.00154 96 5PY -0.31719 0.36917 -0.02127 0.17293 -0.29893 97 5PZ -0.15589 -0.40722 0.30849 0.05772 -0.02479 98 6PX 0.00274 -0.21425 0.08858 0.00313 -0.02001 99 6PY 0.23236 -0.33299 0.03613 -0.02731 0.28460 100 6PZ 0.05369 0.23169 -0.15228 0.13137 0.15507 101 7D 0 0.02724 -0.10067 0.14351 -0.05643 -0.02945 102 7D+1 -0.08071 -0.04474 0.03247 0.03673 -0.03162 103 7D-1 -0.07251 0.08550 -0.08540 0.06348 -0.06387 104 7D+2 0.01373 -0.00770 -0.06870 0.06274 0.03060 105 7D-2 -0.11301 0.08781 0.00974 0.03903 -0.10455 106 8D 0 -0.06579 0.27891 -0.36775 0.15538 0.06459 107 8D+1 0.20850 0.11379 -0.09073 -0.10285 0.09417 108 8D-1 0.19601 -0.24695 0.20375 -0.17162 0.17592 109 8D+2 -0.02984 0.02176 0.17540 -0.17408 -0.09990 110 8D-2 0.29539 -0.23424 -0.02959 -0.10966 0.30739 111 6 Cu 1S -0.00551 -0.00439 0.00939 -0.00734 0.05676 112 2S -0.00645 -0.07255 0.03004 0.07353 0.14121 113 3S 0.11863 -0.99278 0.03993 1.81431 0.11934 114 4PX -0.01879 -0.00364 -0.00211 -0.00961 -0.01642 115 4PY -0.00210 -0.01167 -0.00186 0.03234 0.01744 116 4PZ -0.00360 0.02612 -0.00937 -0.00818 0.02181 117 5PX 0.03339 -0.05384 0.20632 0.48177 0.47783 118 5PY -0.04362 0.66570 -0.01206 -1.39175 -0.74701 119 5PZ 0.01133 -0.15157 0.11671 -0.20414 -0.25392 120 6PX -0.00529 0.06025 -0.06671 -0.29322 -0.41042 121 6PY -0.01715 -0.12710 0.03488 0.24941 0.44792 122 6PZ -0.00053 -0.06077 -0.04444 0.42001 0.14247 123 7D 0 0.02192 0.00597 -0.01937 0.13450 0.13137 124 7D+1 0.04711 0.01142 0.00732 -0.04978 -0.03820 125 7D-1 0.03221 -0.14225 0.04250 0.13902 0.05728 126 7D+2 -0.04547 -0.08055 -0.00174 0.12481 0.05783 127 7D-2 0.09979 -0.00094 0.04111 0.07385 0.10772 128 8D 0 -0.05030 0.00193 0.05057 -0.41017 -0.36750 129 8D+1 -0.10457 -0.03235 -0.01938 0.15580 0.11497 130 8D-1 -0.07366 0.37482 -0.11381 -0.40048 -0.21202 131 8D+2 0.10091 0.23316 0.00337 -0.34433 -0.17029 132 8D-2 -0.22720 0.00714 -0.12329 -0.19900 -0.29156 133 7 Cu 1S 0.00088 0.01757 -0.04569 0.01840 0.04708 134 2S -0.02602 0.06265 -0.09180 0.00005 0.07633 135 3S -0.51680 0.50560 0.12188 -0.69144 -0.40871 136 4PX 0.01399 0.00660 0.00525 0.01202 -0.00563 137 4PY -0.01236 -0.01283 0.00400 0.00433 0.01528 138 4PZ -0.00128 0.02458 0.01247 0.00739 0.00119 139 5PX -0.37551 0.01068 0.06997 -0.35627 0.11909 140 5PY 0.19629 0.27510 -0.25662 -0.13924 -0.52193 141 5PZ 0.06852 -0.46091 0.05023 -0.13808 -0.01781 142 6PX 0.08024 0.20457 -0.13727 -0.06495 -0.18789 143 6PY -0.20496 -0.20173 0.19114 -0.03920 0.28561 144 6PZ -0.03372 0.30868 -0.10255 0.06810 0.13216 145 7D 0 -0.07233 -0.11305 -0.01514 -0.06666 0.01644 146 7D+1 -0.05183 0.10877 0.01425 0.02690 0.04647 147 7D-1 0.00682 0.11608 0.01939 0.06093 -0.02743 148 7D+2 0.09408 0.05916 -0.02580 0.05156 -0.10761 149 7D-2 -0.09410 -0.06093 0.07921 0.02603 0.14180 150 8D 0 0.18315 0.30172 0.01724 0.17781 -0.05317 151 8D+1 0.13614 -0.28638 -0.03899 -0.07655 -0.13553 152 8D-1 -0.02497 -0.30913 -0.02601 -0.15407 0.06354 153 8D+2 -0.25154 -0.15019 0.07970 -0.14423 0.29504 154 8D-2 0.24294 0.16081 -0.21802 -0.06896 -0.41749 155 8 Cu 1S -0.00061 0.09451 -0.03819 -0.05671 0.00767 156 2S -0.00167 0.17451 -0.07362 -0.09050 0.03684 157 3S 0.00381 -0.90747 0.39182 0.65805 0.84417 158 4PX -0.00177 -0.00028 0.00081 0.00000 -0.00157 159 4PY -0.00025 0.01220 -0.00290 -0.00747 0.00805 160 4PZ -0.00010 -0.00814 0.00299 0.00626 0.00047 161 5PX 0.03412 -0.07173 -0.04806 0.06397 0.09263 162 5PY 0.00103 0.04955 -0.07534 0.23038 0.10386 163 5PZ 0.00431 0.10559 -0.01087 -0.50611 -0.53564 164 6PX 0.04822 -0.01949 0.01366 0.05631 0.11804 165 6PY 0.01215 0.17604 -0.04365 -0.36275 -0.40042 166 6PZ 0.01147 -0.10429 -0.00985 0.42424 0.34665 167 7D 0 0.01301 0.05870 -0.01501 -0.15967 -0.09090 168 7D+1 0.03374 -0.03267 -0.02402 0.05052 0.03743 169 7D-1 0.00777 -0.01072 -0.01720 -0.01341 -0.01686 170 7D+2 -0.00448 0.03908 0.00659 -0.06574 -0.02413 171 7D-2 -0.00822 0.00461 -0.01114 -0.01994 -0.00601 172 8D 0 -0.03069 -0.14219 0.02571 0.46596 0.29944 173 8D+1 -0.07832 0.08692 0.05741 -0.15405 -0.11559 174 8D-1 -0.01961 0.01781 0.04429 0.04463 0.05544 175 8D+2 0.01247 -0.07109 -0.02888 0.17676 0.09428 176 8D-2 0.01627 0.00568 0.02430 0.05100 0.02393 177 9 C 1S 0.00007 -0.00158 -0.00139 0.01160 0.00258 178 2S 0.00118 0.10968 0.00822 -0.39264 -0.02201 179 3S -0.01097 -0.11304 -0.04020 0.78062 0.04179 180 4PX -0.00058 -0.00227 0.01948 0.04833 0.02159 181 4PY 0.00137 0.01888 0.02651 -0.18935 -0.02830 182 4PZ 0.00090 0.04178 -0.00904 -0.03271 -0.04830 183 5PX -0.06719 -0.00803 -0.09499 -0.08054 -0.05855 184 5PY -0.01644 0.03762 -0.05866 0.24019 -0.07878 185 5PZ -0.01609 -0.18147 0.07697 -0.06826 0.08495 186 10 O 1S -0.00020 -0.00283 0.00185 -0.00294 -0.00044 187 2S 0.00224 0.04642 -0.03302 0.06423 0.02269 188 3S -0.00189 -0.04693 0.05495 -0.19612 -0.06417 189 4PX -0.02494 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-0.03471 0.07248 14 7D+1 -0.06130 0.05216 -0.03341 -0.09202 0.06605 15 7D-1 -0.00867 0.04253 -0.16700 -0.07465 -0.21495 16 7D+2 0.06190 -0.08859 -0.16355 0.08175 0.18330 17 7D-2 -0.05452 0.16702 -0.05257 -0.17019 0.12641 18 8D 0 0.33188 -0.04857 -0.24592 0.10020 -0.21460 19 8D+1 0.16912 -0.14199 0.09856 0.25978 -0.21739 20 8D-1 0.01717 -0.12271 0.48681 0.22440 0.68442 21 8D+2 -0.18461 0.25838 0.48282 -0.25139 -0.59411 22 8D-2 0.16813 -0.49534 0.15825 0.53434 -0.41378 23 2 Cu 1S 0.00554 0.00680 0.04595 -0.00412 0.04058 24 2S 0.02904 0.02444 0.15576 -0.01860 -0.02333 25 3S 0.34344 0.10714 0.73941 -0.05149 -0.44836 26 4PX -0.01992 0.00636 0.00597 -0.07219 0.00021 27 4PY -0.00543 -0.00171 -0.01645 -0.01185 0.01838 28 4PZ -0.00888 0.00104 -0.01256 -0.01307 0.00538 29 5PX 0.00323 -0.35599 0.03987 2.11670 0.15100 30 5PY -0.02811 0.01979 0.02879 0.21797 -0.96517 31 5PZ 0.00385 -0.11307 -0.56256 0.28202 -0.44581 32 6PX 0.35143 -0.26394 -0.07767 -0.61783 -0.01094 33 6PY 0.14746 -0.03786 0.18766 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-0.56237 -0.32332 -0.01510 54 6PX 0.04918 0.70094 0.45553 0.46839 0.20536 55 6PY 0.88423 -0.40745 -0.81003 -0.65595 -0.12866 56 6PZ 0.08644 1.01847 0.29573 0.46318 -0.18054 57 7D 0 0.02533 0.26142 0.13795 0.06453 -0.02110 58 7D+1 0.01252 -0.00470 0.02049 0.05828 0.02443 59 7D-1 0.05688 -0.11501 -0.08129 -0.10532 0.00048 60 7D+2 -0.09648 -0.08717 -0.00240 -0.11387 -0.02684 61 7D-2 -0.23877 -0.03146 0.13401 0.11256 0.03564 62 8D 0 -0.08305 -0.76079 -0.38459 -0.17883 0.05478 63 8D+1 -0.02122 0.04116 -0.07533 -0.16793 -0.07580 64 8D-1 -0.14110 0.31991 0.23754 0.31746 -0.00973 65 8D+2 0.28530 0.27588 -0.01210 0.35182 0.06864 66 8D-2 0.65766 0.09639 -0.39455 -0.31430 -0.08023 67 4 Cu 1S -0.01868 0.06119 -0.02335 0.00889 0.15358 68 2S -0.07211 0.13308 -0.06657 0.00547 0.30859 69 3S -0.71567 -0.36528 -0.58828 -0.33093 -0.70562 70 4PX 0.01901 0.01860 -0.01743 0.00691 0.00538 71 4PY -0.03119 0.01757 -0.02909 0.01814 -0.01648 72 4PZ 0.00962 -0.01114 0.02063 -0.00305 0.00392 73 5PX -0.73219 -1.17818 0.32806 -0.40641 0.05395 74 5PY 0.76614 -0.50264 1.11846 -1.07751 0.00874 75 5PZ -0.41540 0.69700 -0.58111 0.05077 0.04595 76 6PX 0.32423 0.80870 -0.39644 0.32183 -0.06406 77 6PY -0.77629 0.56595 -1.06606 0.66573 -0.19801 78 6PZ 0.06727 -0.69047 0.30606 -0.30359 -0.23735 79 7D 0 0.07773 -0.19780 0.14671 -0.01728 -0.04056 80 7D+1 0.12227 0.13413 -0.06498 0.06209 -0.01111 81 7D-1 -0.10093 0.10694 -0.15134 0.16943 -0.02775 82 7D+2 0.22250 0.09167 0.07618 0.00012 -0.00054 83 7D-2 -0.09948 -0.02737 -0.06888 0.10793 -0.04636 84 8D 0 -0.22883 0.58900 -0.40957 0.04535 0.11798 85 8D+1 -0.34089 -0.38523 0.18350 -0.17894 0.04343 86 8D-1 0.26108 -0.29383 0.44162 -0.50329 0.06808 87 8D+2 -0.65373 -0.29417 -0.23514 -0.02394 0.00800 88 8D-2 0.27463 0.06330 0.19122 -0.31937 0.11530 89 5 Cu 1S -0.02188 0.04768 -0.01120 0.04452 0.06664 90 2S -0.01685 0.15530 0.00056 0.11638 0.14470 91 3S 0.81490 0.36157 0.12294 0.48675 0.15425 92 4PX -0.00059 0.00991 0.00469 0.00400 0.01116 93 4PY -0.01208 -0.00418 -0.00124 0.00046 -0.02258 94 4PZ 0.00898 0.01159 0.00178 0.00552 -0.00714 95 5PX -0.27050 0.25168 0.29839 -0.27929 -0.21407 96 5PY 0.48754 -0.10278 0.04099 1.06057 0.17840 97 5PZ -0.03289 -0.87794 -0.46280 0.00458 -0.07666 98 6PX -0.08572 -0.48164 -0.33576 -0.17085 0.04140 99 6PY -0.13293 -0.02284 0.06036 -0.33587 -0.13419 100 6PZ -0.08222 0.48188 0.37307 0.15833 0.08470 101 7D 0 -0.00451 -0.19106 -0.10747 -0.01965 0.06445 102 7D+1 0.01156 -0.06581 -0.02159 0.02861 0.00076 103 7D-1 0.07381 0.07574 0.04097 0.12737 0.05146 104 7D+2 -0.01925 0.06572 0.04402 -0.06410 -0.06796 105 7D-2 0.11376 -0.06705 -0.04028 0.17414 0.10155 106 8D 0 -0.01324 0.58370 0.33296 0.04900 -0.16943 107 8D+1 -0.03439 0.18314 0.06653 -0.09760 0.00612 108 8D-1 -0.20622 -0.21996 -0.11641 -0.40188 -0.13453 109 8D+2 0.07144 -0.20831 -0.15117 0.20052 0.18110 110 8D-2 -0.32585 0.21985 0.12337 -0.55620 -0.26626 111 6 Cu 1S -0.01968 -0.00054 -0.01706 0.01522 0.02604 112 2S -0.05912 -0.00537 -0.06187 0.03755 0.06637 113 3S -0.33047 -0.00881 0.40101 0.03448 0.86222 114 4PX -0.02261 -0.00893 0.00746 -0.00298 -0.00324 115 4PY -0.01486 -0.00366 -0.01563 0.00111 0.01445 116 4PZ -0.00878 -0.00389 -0.01695 -0.00096 0.00074 117 5PX 0.68949 -0.29631 -0.35102 -0.30844 0.09240 118 5PY 0.57484 0.07585 0.56820 -0.16535 -0.55065 119 5PZ 0.24111 0.10210 1.41306 -0.05797 0.16155 120 6PX -0.74522 0.28100 0.36276 0.35858 -0.07367 121 6PY -0.35003 0.00058 -0.69154 0.00688 0.14990 122 6PZ -0.28445 -0.04645 -1.34787 -0.01894 0.05900 123 7D 0 -0.04286 -0.04078 -0.23402 -0.00020 0.02678 124 7D+1 0.03638 -0.02284 0.03985 -0.02758 -0.04124 125 7D-1 0.01721 -0.00288 0.20865 -0.00459 0.15770 126 7D+2 -0.15219 0.01253 -0.02991 0.03722 0.04014 127 7D-2 0.25875 -0.03848 -0.03908 -0.06464 -0.02003 128 8D 0 0.12394 0.11751 0.69226 0.00979 -0.07802 129 8D+1 -0.11387 0.05886 -0.11222 0.10750 0.12076 130 8D-1 -0.03447 0.01522 -0.64564 0.02189 -0.47525 131 8D+2 0.42906 -0.04847 0.08442 -0.12919 -0.12693 132 8D-2 -0.72480 0.14855 0.11601 0.22401 0.05738 133 7 Cu 1S -0.00696 -0.04737 -0.01320 -0.01317 0.05939 134 2S -0.02249 -0.14640 -0.00655 -0.04713 0.13506 135 3S -0.50951 -0.33930 0.00905 -0.42919 0.36165 136 4PX -0.00101 0.00932 -0.00365 0.00344 -0.00039 137 4PY 0.00195 0.00879 -0.00258 -0.00258 -0.02566 138 4PZ -0.01300 -0.00681 0.00005 -0.00496 -0.00927 139 5PX -0.07056 -0.08771 -0.20429 0.16661 0.17392 140 5PY -0.28111 0.11824 -0.05491 -1.06240 0.40359 141 5PZ -0.00815 0.85039 -0.64968 -0.06080 0.05080 142 6PX -0.05035 -0.26826 0.20375 -0.20006 0.00053 143 6PY -0.06029 -0.07714 0.15387 0.26239 -0.16373 144 6PZ -0.02859 -0.58226 0.57638 -0.19074 0.04770 145 7D 0 0.01963 0.11668 -0.10232 0.04963 0.05046 146 7D+1 -0.01609 -0.12598 0.08039 0.03629 -0.06273 147 7D-1 -0.02248 -0.12935 0.09272 -0.03610 -0.00971 148 7D+2 -0.03268 0.01199 0.00611 -0.09264 0.03962 149 7D-2 0.02597 -0.03947 0.04413 0.18830 -0.15100 150 8D 0 -0.02895 -0.36673 0.31773 -0.14760 -0.14043 151 8D+1 0.02664 0.37762 -0.25776 -0.12775 0.16685 152 8D-1 0.05888 0.38757 -0.28088 0.11149 0.02545 153 8D+2 0.08863 -0.03925 -0.02708 0.29967 -0.10543 154 8D-2 -0.07824 0.14324 -0.14896 -0.60566 0.41523 155 8 Cu 1S 0.00505 -0.00895 -0.03382 0.01246 0.11505 156 2S 0.00064 -0.02651 -0.09077 0.03596 0.19153 157 3S -0.30608 -0.13657 -0.32760 0.08161 -0.81593 158 4PX 0.00127 0.00105 0.00135 0.00256 -0.00162 159 4PY 0.00095 -0.00243 -0.01999 0.00173 0.00032 160 4PZ -0.00109 0.00015 0.01402 0.00216 0.00927 161 5PX -0.03158 -0.16192 -0.03283 0.25406 -0.05417 162 5PY -0.08058 -0.01193 -0.23046 -0.02287 0.28446 163 5PZ 0.20315 0.07464 0.43685 -0.01361 -0.19736 164 6PX 0.28159 0.04616 -0.03558 0.09159 -0.07647 165 6PY 0.22223 0.06937 0.48849 0.02547 -0.05738 166 6PZ -0.12034 -0.01667 -0.28826 -0.03981 0.35131 167 7D 0 0.05136 0.00817 0.02748 -0.00616 -0.09877 168 7D+1 -0.02320 -0.00997 -0.01556 -0.00192 0.02074 169 7D-1 -0.00584 0.00663 0.02253 -0.00670 0.00190 170 7D+2 0.02445 0.00403 0.00706 0.00167 -0.05399 171 7D-2 -0.00686 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-0.00163 0.00998 -0.05213 -0.01817 16 7D+2 -0.00429 -0.01492 -0.02942 0.09242 -0.04638 17 7D-2 0.00807 -0.03270 0.07138 0.06705 -0.01275 18 8D 0 -0.34903 0.18455 0.10017 -0.24012 -0.06358 19 8D+1 0.13815 -0.08812 0.09573 -0.05652 0.05523 20 8D-1 -0.07314 0.02262 -0.02704 0.20473 0.06691 21 8D+2 0.00581 0.04836 0.10296 -0.36022 0.18173 22 8D-2 -0.02488 0.10927 -0.26159 -0.25779 0.05379 23 2 Cu 1S 0.25666 0.13077 0.02298 -0.02695 0.26341 24 2S 0.63647 0.28513 0.04705 -0.11059 0.56408 25 3S -0.37910 -1.58386 -0.45883 0.92188 1.23645 26 4PX -0.00031 -0.00269 -0.01022 0.00199 0.01010 27 4PY -0.02022 0.02388 0.00802 -0.03733 -0.05033 28 4PZ -0.00468 0.01781 0.00360 0.00979 -0.02571 29 5PX -0.02377 0.07421 0.76234 -0.10966 -0.39814 30 5PY 0.48419 -1.11600 -0.26440 1.15310 1.81569 31 5PZ 0.53610 -0.72519 -0.12922 0.16055 0.79815 32 6PX 0.21077 0.10955 -0.24966 -0.12654 0.09580 33 6PY -0.15508 -0.49386 -0.16860 0.26643 0.28631 34 6PZ -0.53625 -0.19605 -0.05742 0.49535 -0.63343 35 7D 0 0.04692 0.00548 -0.02247 -0.04467 0.03901 36 7D+1 -0.02344 0.04321 -0.05284 -0.02773 -0.00625 37 7D-1 -0.05610 -0.02106 -0.02211 0.11684 -0.03957 38 7D+2 -0.05735 0.08596 0.05110 -0.08135 0.00474 39 7D-2 -0.02107 0.04914 -0.00627 -0.05723 0.00571 40 8D 0 -0.15612 -0.03393 0.07494 0.16041 -0.13660 41 8D+1 0.07465 -0.15770 0.18605 0.09615 0.02571 42 8D-1 0.20404 0.10480 0.08551 -0.38935 0.13058 43 8D+2 0.18473 -0.32567 -0.18810 0.29638 -0.00697 44 8D-2 0.06533 -0.18708 0.01832 0.20332 -0.01513 45 3 Cu 1S 0.07315 -0.57003 0.75994 -0.68797 0.19492 46 2S 0.20442 -1.21302 1.58861 -1.32973 0.34118 47 3S 0.01983 1.83776 -1.41378 2.44690 -0.81849 48 4PX 0.00781 -0.01177 0.02693 0.01416 -0.02558 49 4PY 0.00409 -0.00264 -0.00181 0.00522 0.02447 50 4PZ -0.01076 0.00954 -0.00583 -0.00416 0.00480 51 5PX -0.07759 0.28676 -0.91480 0.00480 0.13504 52 5PY 0.00448 -0.13817 -0.10688 0.14705 -0.11116 53 5PZ 0.40795 -0.23054 0.29255 0.02127 -0.03405 54 6PX -0.15577 -0.56234 0.82780 -0.35933 -0.14797 55 6PY 0.32529 0.23596 -0.06743 -0.26992 0.56690 56 6PZ -0.00585 0.06627 0.20461 0.46329 -0.23305 57 7D 0 -0.05277 0.00133 0.04112 -0.00021 -0.04969 58 7D+1 -0.00324 0.00985 -0.01542 -0.02061 0.01119 59 7D-1 0.02692 -0.00688 0.02557 -0.00403 0.00955 60 7D+2 -0.01515 0.00433 -0.11129 -0.03151 -0.00609 61 7D-2 0.02714 -0.05700 -0.02774 -0.02053 -0.03127 62 8D 0 0.16678 -0.00191 -0.13405 0.01007 0.17021 63 8D+1 0.01680 -0.05410 0.06367 0.06414 -0.04403 64 8D-1 -0.08919 0.02356 -0.08738 0.01507 -0.02792 65 8D+2 0.04578 -0.02358 0.36650 0.09780 0.03893 66 8D-2 -0.08950 0.18952 0.08442 0.05814 0.09250 67 4 Cu 1S 0.00347 -0.09201 -0.92760 -0.69580 0.19922 68 2S 0.05264 -0.20211 -1.95457 -1.34469 0.34533 69 3S 0.07096 0.90487 1.99728 2.34140 -1.07161 70 4PX -0.00255 -0.00492 0.02099 -0.01292 0.01249 71 4PY 0.00430 -0.00539 0.00704 0.00015 0.03159 72 4PZ -0.01051 0.00268 0.02125 -0.00808 0.01450 73 5PX -0.15648 0.32505 -0.61205 0.00325 -0.08604 74 5PY -0.12656 -0.02089 -0.20036 0.10802 -0.21810 75 5PZ 0.32426 0.06121 -0.72954 -0.05249 -0.14747 76 6PX 0.14012 -0.18555 0.78284 0.22401 -0.04743 77 6PY 0.40171 0.15636 0.35295 -0.15713 0.57462 78 6PZ 0.05318 0.22030 0.20596 0.60928 -0.16354 79 7D 0 -0.04467 0.01218 -0.01842 0.01265 -0.04267 80 7D+1 0.02922 -0.04188 0.02700 -0.00363 0.01045 81 7D-1 0.03033 0.01043 -0.01698 0.00187 0.02252 82 7D+2 0.01096 -0.07798 0.06454 -0.04267 -0.02319 83 7D-2 -0.02473 0.00255 0.07315 -0.00330 0.01716 84 8D 0 0.13780 -0.03169 0.07282 -0.03462 0.14984 85 8D+1 -0.09609 0.14173 -0.07193 0.00813 -0.03081 86 8D-1 -0.10043 -0.03128 0.06464 -0.00099 -0.06428 87 8D+2 -0.03925 0.24738 -0.21685 0.13250 0.08206 88 8D-2 0.08037 -0.01363 -0.25624 0.01194 -0.04010 89 5 Cu 1S -0.63627 0.54895 -0.23393 -0.03536 -0.37756 90 2S -1.35716 1.14109 -0.52713 -0.08870 -0.69989 91 3S 0.12575 -0.00327 -0.36541 -0.36012 1.85848 92 4PX -0.02436 0.01724 -0.01217 -0.00785 0.01251 93 4PY 0.00384 -0.00963 0.00248 0.00668 0.00043 94 4PZ -0.01048 0.01106 -0.01845 0.00143 0.01363 95 5PX 0.86350 -0.89850 0.61311 0.10764 -0.08997 96 5PY -0.03766 0.08739 -0.11104 -0.04693 0.33839 97 5PZ 0.60086 -0.52587 0.46216 0.12569 -0.01514 98 6PX -0.26405 0.33502 -0.39134 -0.03301 -0.23813 99 6PY 0.02111 0.03128 -0.12820 -0.04924 -0.39607 100 6PZ 0.04245 0.00304 -0.16268 -0.02635 0.10335 101 7D 0 -0.01208 -0.01425 0.03106 -0.04837 0.02928 102 7D+1 0.09693 -0.07603 0.06416 0.01691 0.00663 103 7D-1 0.00710 0.03823 -0.01631 0.02130 0.01310 104 7D+2 0.04458 -0.04687 0.01794 0.02923 -0.00353 105 7D-2 0.00624 0.01574 -0.02120 -0.01770 0.05460 106 8D 0 0.03165 0.03059 -0.07437 0.14423 -0.09757 107 8D+1 -0.30363 0.25485 -0.20833 -0.05618 -0.03270 108 8D-1 -0.01945 -0.10653 0.03747 -0.06853 -0.05167 109 8D+2 -0.14343 0.15902 -0.06535 -0.08671 0.00754 110 8D-2 -0.01855 -0.04235 0.07619 0.05421 -0.18967 111 6 Cu 1S -0.16600 0.54531 0.14732 0.31221 1.16974 112 2S -0.33995 1.16341 0.31508 0.66092 2.33027 113 3S -0.73952 -0.62732 0.10070 -1.57091 -1.99501 114 4PX 0.00129 -0.00446 0.00173 -0.00490 0.00468 115 4PY -0.00899 0.02499 0.00818 0.02338 -0.00571 116 4PZ 0.00445 -0.00292 -0.00165 0.00614 -0.01459 117 5PX -0.09241 0.13559 -0.36086 -0.12130 -0.15570 118 5PY 0.43017 -0.65342 -0.27543 0.05287 -0.47478 119 5PZ -0.17078 0.46597 0.13897 0.32471 0.96927 120 6PX -0.13212 -0.21923 0.19520 0.02314 -0.04066 121 6PY 0.34409 0.60845 0.10995 0.36379 0.31181 122 6PZ 0.34694 0.13016 0.00574 -0.30577 -0.07455 123 7D 0 -0.02526 0.01777 0.00028 0.00526 -0.07511 124 7D+1 0.01508 0.00936 0.00139 0.01989 0.04100 125 7D-1 -0.04882 0.01991 -0.00615 -0.06593 0.01940 126 7D+2 -0.02164 0.04814 0.05351 0.00561 0.05054 127 7D-2 -0.00634 0.04950 -0.08942 0.01181 0.01801 128 8D 0 0.07938 -0.03729 0.00306 0.01522 0.27513 129 8D+1 -0.04553 -0.03815 -0.01439 -0.07998 -0.15465 130 8D-1 0.15006 -0.05158 0.02056 0.22605 -0.05146 131 8D+2 0.06536 -0.15148 -0.16789 -0.01629 -0.18590 132 8D-2 0.02039 -0.15988 0.28302 -0.04152 -0.07050 133 7 Cu 1S -0.55873 0.30046 0.57121 0.06444 -0.30923 134 2S -1.19572 0.60641 1.22800 0.12129 -0.57051 135 3S -0.26954 0.13710 0.53425 -0.62844 1.51831 136 4PX 0.02308 -0.00485 -0.02565 0.00384 -0.01410 137 4PY 0.01246 -0.00977 -0.01813 0.00768 -0.00410 138 4PZ -0.00062 -0.00256 0.01472 0.00496 0.00823 139 5PX -0.85906 0.43021 1.20932 0.00255 -0.02260 140 5PY -0.46865 0.25746 0.62680 -0.08486 0.28993 141 5PZ 0.21660 -0.02454 -0.38670 0.00113 -0.04304 142 6PX 0.19095 -0.04079 -0.53404 0.06465 0.32733 143 6PY -0.02721 0.06659 -0.03307 -0.06360 -0.35927 144 6PZ 0.02802 0.01488 0.00560 -0.01368 0.18638 145 7D 0 -0.05398 0.01193 0.02105 -0.04342 0.02281 146 7D+1 -0.03874 0.00028 0.07689 0.02169 -0.01338 147 7D-1 -0.00962 0.02303 0.05231 0.03248 -0.00840 148 7D+2 0.04599 -0.01528 -0.04008 0.00616 0.03570 149 7D-2 0.04377 -0.03693 -0.08158 0.02193 -0.03750 150 8D 0 0.15820 -0.04082 -0.09521 0.12804 -0.06988 151 8D+1 0.12386 -0.00605 -0.24248 -0.06188 0.05022 152 8D-1 0.03750 -0.07553 -0.14912 -0.09954 0.02603 153 8D+2 -0.14443 0.06088 0.13908 -0.01424 -0.12863 154 8D-2 -0.14166 0.11437 0.26481 -0.05921 0.12634 155 8 Cu 1S -0.31108 0.07761 0.06686 -0.52813 -0.50910 156 2S -0.63974 0.13793 0.12620 -1.14716 -1.00283 157 3S 0.07354 0.32701 -0.06938 -0.69400 -0.12170 158 4PX 0.00111 0.00352 -0.00025 0.00883 0.00174 159 4PY -0.01094 -0.00228 -0.00076 -0.02111 0.00022 160 4PZ -0.00037 -0.01130 -0.00406 -0.01996 -0.00981 161 5PX -0.11359 -0.01973 -0.04584 -0.47233 -0.28098 162 5PY 0.55095 -0.14988 -0.10306 1.34975 0.48644 163 5PZ 0.12871 0.24116 0.09179 0.73794 0.77391 164 6PX 0.03181 0.04357 -0.16610 0.21590 0.12208 165 6PY -0.27020 -0.14673 0.02203 -0.39526 -0.24367 166 6PZ 0.49918 -0.06839 -0.09076 -0.42800 -0.10056 167 7D 0 -0.02688 0.07649 0.02771 -0.01315 0.11421 168 7D+1 -0.00580 -0.02975 0.00261 -0.04976 -0.05220 169 7D-1 0.03742 0.01128 0.00623 0.09374 0.02594 170 7D+2 -0.04598 0.02552 0.01196 -0.12790 0.00733 171 7D-2 -0.01881 0.00647 0.00105 -0.08836 -0.00403 172 8D 0 0.07309 -0.23190 -0.08476 0.06191 -0.39813 173 8D+1 0.02439 0.08536 -0.00722 0.16839 0.18580 174 8D-1 -0.11425 -0.03020 -0.01532 -0.32416 -0.10102 175 8D+2 0.14854 -0.09002 -0.04310 0.44780 -0.02070 176 8D-2 0.06471 -0.02902 0.00121 0.30859 0.02006 177 9 C 1S -0.02396 -0.00994 -0.00143 -0.00827 0.00121 178 2S -0.06199 0.03416 0.01350 0.13039 -0.17810 179 3S -1.24680 -2.25943 -0.63342 1.05295 1.69605 180 4PX -0.05879 -0.03658 0.01128 -0.02995 0.03754 181 4PY 0.25984 0.12926 0.02497 0.17990 -0.12803 182 4PZ 0.11397 0.01988 0.00363 0.02164 -0.05114 183 5PX -0.18151 -0.04533 -0.11852 -0.02211 0.03649 184 5PY 0.49183 0.23970 0.03249 -0.37102 -0.25901 185 5PZ 0.18425 0.33568 0.06058 0.21752 -0.16471 186 10 O 1S 0.05589 0.05538 0.01388 -0.01979 -0.01730 187 2S -1.25420 -1.28960 -0.32685 0.48091 0.59010 188 3S 2.32307 2.44659 0.62447 -0.91800 -1.35955 189 4PX -0.00049 0.01066 0.00065 -0.02891 0.00236 190 4PY -0.00879 -0.06481 -0.01815 0.03842 -0.02062 191 4PZ -0.02117 0.02349 0.00503 0.08335 -0.02031 192 5PX -0.15324 -0.18881 -0.02883 0.12050 0.09341 193 5PY 0.65336 0.78165 0.20112 -0.21629 -0.31570 194 5PZ 0.32107 0.17859 0.04866 -0.31466 -0.09639 191 192 193 194 V V V V EIGENVALUES -- 2.64061 2.75330 4.05970 10.64344 1 1 Cu 1S 0.13289 -0.04557 -1.33399 -1.79376 2 2S 0.28381 -0.10822 -2.29916 -2.80939 3 3S 1.30536 -1.56114 11.36973 7.30199 4 4PX 0.02042 0.06641 0.00720 -0.01187 5 4PY 0.07284 -0.06619 -0.03833 0.03010 6 4PZ 0.02500 -0.01417 0.05501 0.06553 7 5PX -0.18156 -1.63450 -0.14241 -0.49780 8 5PY -2.01019 2.23214 0.15767 2.08045 9 5PZ -0.63465 0.50874 -0.92887 -0.39168 10 6PX 3.17931 4.42307 1.02483 -0.73711 11 6PY 3.41792 -2.00887 -2.90511 -0.25518 12 6PZ 0.69470 0.77254 -4.51675 -1.43316 13 7D 0 0.00828 -0.00533 -0.02205 -0.00568 14 7D+1 -0.01928 -0.00472 -0.00298 0.00072 15 7D-1 -0.03044 0.00177 0.03501 -0.00518 16 7D+2 -0.02343 0.07440 -0.00477 -0.00466 17 7D-2 -0.06379 -0.02889 -0.01172 -0.00196 18 8D 0 -0.03845 0.02366 0.09292 0.04340 19 8D+1 0.07182 0.01599 0.01073 0.01031 20 8D-1 0.12184 -0.00958 -0.14316 -0.02521 21 8D+2 0.08621 -0.29401 0.00820 0.06805 22 8D-2 0.24291 0.11648 0.05069 0.03904 23 2 Cu 1S 0.07192 -0.10707 1.24745 -3.14862 24 2S 0.10250 -0.16526 2.20184 -5.04244 25 3S -1.35498 1.63540 -5.18817 9.72017 26 4PX 0.05797 0.04647 0.01318 0.00931 27 4PY -0.00528 0.02370 -0.05363 -0.07134 28 4PZ 0.00427 0.01528 -0.01007 0.01766 29 5PX -0.98970 -1.69037 0.40464 -1.68242 30 5PY -1.64810 1.55298 -1.88866 7.27375 31 5PZ -0.67244 0.36058 -0.78625 1.95737 32 6PX -0.91477 -1.00062 0.04339 0.57859 33 6PY -0.00892 -0.26024 0.21953 0.28166 34 6PZ 0.12761 -0.61111 0.94633 -1.75420 35 7D 0 0.00535 0.00790 0.01379 -0.00365 36 7D+1 0.01310 0.02736 0.00961 -0.01724 37 7D-1 0.02673 0.00030 -0.03453 0.04943 38 7D+2 -0.05218 0.00734 0.02943 -0.04541 39 7D-2 0.02474 0.04897 0.01955 -0.02614 40 8D 0 -0.02756 -0.02195 -0.08186 0.08882 41 8D+1 -0.05513 -0.10236 -0.05842 0.11446 42 8D-1 -0.08340 -0.02189 0.21463 -0.36493 43 8D+2 0.18858 -0.01547 -0.18616 0.37124 44 8D-2 -0.09825 -0.17575 -0.11905 0.20632 45 3 Cu 1S 0.15205 0.73822 -0.77979 -0.85677 46 2S 0.29960 1.36094 -1.33782 -1.37647 47 3S -0.20493 -2.57158 1.19755 -1.14448 48 4PX 0.00425 -0.01258 0.03025 0.02608 49 4PY 0.00047 -0.00304 0.00003 0.01990 50 4PZ 0.00316 0.02970 -0.01354 -0.02737 51 5PX -0.11390 -0.32271 -0.04199 0.38810 52 5PY -0.43348 0.08338 -0.20563 0.81643 53 5PZ 0.01313 -0.14647 -0.00649 -0.53553 54 6PX 0.16431 0.27307 0.05597 0.08896 55 6PY -0.15177 -0.20675 -0.48834 1.05108 56 6PZ 0.00235 0.14007 0.02181 0.33966 57 7D 0 0.01655 0.03260 0.00423 0.00513 58 7D+1 -0.00682 0.02596 0.00358 -0.01218 59 7D-1 -0.00333 -0.01265 0.00353 -0.00635 60 7D+2 0.00032 -0.00672 -0.01943 -0.00328 61 7D-2 -0.02465 0.00527 0.01361 0.01463 62 8D 0 -0.06159 -0.11808 -0.00935 -0.02459 63 8D+1 0.02692 -0.11058 -0.01124 0.08571 64 8D-1 0.00542 0.04503 -0.02109 0.06110 65 8D+2 -0.00653 0.03137 0.07816 0.01492 66 8D-2 0.10189 -0.02476 -0.04408 -0.09912 67 4 Cu 1S -0.72075 -0.14207 -0.82204 -0.84645 68 2S -1.32838 -0.28770 -1.42167 -1.36410 69 3S 2.83076 -0.05513 1.07770 -1.45356 70 4PX -0.00064 0.00592 -0.02235 -0.01998 71 4PY 0.00261 0.00451 -0.00850 0.01152 72 4PZ -0.03321 0.00153 -0.02304 -0.03468 73 5PX -0.26953 -0.29392 0.04212 -0.49906 74 5PY -0.11609 0.29619 -0.23007 0.61159 75 5PZ 0.14417 -0.16166 -0.05556 -0.72910 76 6PX 0.47436 -0.06029 0.15401 -0.25278 77 6PY 0.39595 0.43422 -0.60698 0.80722 78 6PZ -0.14034 0.07032 0.11065 0.12905 79 7D 0 -0.02264 -0.01421 0.00243 0.01347 80 7D+1 0.03442 0.00851 -0.00585 0.01083 81 7D-1 0.02351 0.00339 -0.00127 -0.00551 82 7D+2 -0.00661 0.01109 -0.00477 0.00330 83 7D-2 -0.00276 -0.01528 -0.02168 -0.01203 84 8D 0 0.07580 0.05361 -0.00605 -0.08435 85 8D+1 -0.13429 -0.03339 0.01917 -0.08644 86 8D-1 -0.08861 -0.00200 -0.00701 0.05235 87 8D+2 0.02658 -0.04452 0.02599 -0.02233 88 8D-2 0.00590 0.06696 0.08297 0.07302 89 5 Cu 1S 0.42880 1.23745 -0.01305 -0.53721 90 2S 0.80222 2.30465 -0.01311 -0.80241 91 3S -1.06969 -3.10521 -2.33334 -2.57455 92 4PX -0.01023 -0.02823 -0.01473 0.01084 93 4PY -0.00823 0.01693 0.01805 0.01268 94 4PZ -0.00685 -0.01033 0.00673 0.02573 95 5PX -0.09449 -0.71171 0.13058 0.81197 96 5PY -0.28960 -0.06305 -0.42879 0.20051 97 5PZ -0.24784 -0.37426 -0.04208 0.11662 98 6PX -0.11777 0.47164 0.32892 0.39107 99 6PY -1.24050 -0.24998 0.23632 -0.05111 100 6PZ -0.33930 -0.35939 0.62448 0.97993 101 7D 0 0.00714 0.02981 0.00196 -0.00213 102 7D+1 -0.01395 -0.02222 0.00407 -0.00734 103 7D-1 -0.02334 -0.02304 0.01254 -0.01635 104 7D+2 0.02985 -0.02990 -0.03177 0.00652 105 7D-2 -0.00344 0.00731 0.02426 0.00764 106 8D 0 -0.02360 -0.12239 -0.01556 0.01255 107 8D+1 0.06504 0.10633 -0.01242 0.00203 108 8D-1 0.09680 0.08587 -0.05388 0.06934 109 8D+2 -0.10617 0.13414 0.14081 -0.05714 110 8D-2 0.02896 -0.04456 -0.09640 -0.05457 111 6 Cu 1S 0.38715 -0.29345 -0.96307 -0.25999 112 2S 0.70257 -0.52685 -1.64968 -0.43738 113 3S -1.95693 1.76251 0.41600 -2.21670 114 4PX -0.00463 0.00857 -0.00445 0.00095 115 4PY -0.00276 0.00297 0.03884 -0.00640 116 4PZ 0.03181 -0.03038 -0.00836 -0.00228 117 5PX 0.17696 -0.12588 0.06349 -0.02604 118 5PY -0.21215 0.27943 0.12436 0.57878 119 5PZ -0.31295 0.37108 -0.53558 -0.42296 120 6PX -0.23174 0.24267 -0.64008 -0.17071 121 6PY 0.61911 -0.43760 1.89811 0.21679 122 6PZ 0.51758 -0.33594 0.71871 0.19081 123 7D 0 0.04186 -0.05150 0.01656 0.00033 124 7D+1 -0.03194 0.00783 0.00174 0.00253 125 7D-1 0.01036 -0.02193 -0.01115 -0.00538 126 7D+2 0.01531 -0.00959 0.02288 0.00710 127 7D-2 -0.00343 -0.00592 0.01057 0.00399 128 8D 0 -0.14429 0.18462 -0.07526 -0.01125 129 8D+1 0.11522 -0.02803 -0.00045 -0.00875 130 8D-1 -0.05380 0.10057 0.06016 0.03063 131 8D+2 -0.06284 0.04264 -0.07422 -0.03320 132 8D-2 0.01019 0.01967 -0.03792 -0.01935 133 7 Cu 1S -1.26046 -0.46916 -0.13425 -0.54930 134 2S -2.35285 -0.88316 -0.24185 -0.83222 135 3S 3.55392 1.00122 -2.51753 -3.30138 136 4PX -0.02343 -0.01218 0.00389 -0.02148 137 4PY -0.02694 0.00501 0.02109 0.00891 138 4PZ 0.00298 0.00294 0.00939 0.01917 139 5PX -0.68580 -0.34888 -0.12276 -0.93374 140 5PY -0.02926 0.10553 -0.58800 -0.24097 141 5PZ 0.16039 0.14620 -0.07201 -0.20329 142 6PX 0.32060 -0.59012 -0.45268 -0.53202 143 6PY 0.17176 1.11323 -0.14306 -0.55143 144 6PZ 0.31687 0.25244 0.30392 0.49815 145 7D 0 -0.03476 -0.02211 -0.01034 0.00240 146 7D+1 -0.00104 -0.01793 -0.01175 0.01458 147 7D-1 0.02109 0.01538 0.00263 -0.01118 148 7D+2 0.03063 -0.01801 -0.00713 0.00276 149 7D-2 0.01138 -0.01457 -0.03207 0.00677 150 8D 0 0.14590 0.08879 0.03902 0.00824 151 8D+1 0.01472 0.07743 0.05333 -0.05619 152 8D-1 -0.07935 -0.05806 -0.01331 0.05602 153 8D+2 -0.12479 0.04987 0.03769 -0.05320 154 8D-2 -0.06636 0.06340 0.13286 -0.04024 155 8 Cu 1S 1.03930 -1.14241 -0.22155 -0.29507 156 2S 1.89919 -2.10672 -0.34288 -0.45074 157 3S -3.02203 2.71595 -0.85236 -1.60146 158 4PX 0.00487 -0.01229 -0.00105 -0.00287 159 4PY -0.03094 0.02467 -0.01281 0.00210 160 4PZ -0.01744 0.01184 0.00903 0.00580 161 5PX 0.25334 -0.17519 0.01419 -0.11703 162 5PY -0.37832 0.79056 0.48382 0.66288 163 5PZ -0.21423 0.40606 -0.20378 -0.02789 164 6PX -0.97240 -0.71680 -0.24601 0.06992 165 6PY -0.07740 -0.39164 -0.42868 0.20055 166 6PZ -0.03803 -0.20638 2.06477 0.48812 167 7D 0 0.00974 -0.01304 -0.02257 -0.00197 168 7D+1 0.00644 -0.00991 0.02209 0.00646 169 7D-1 -0.00074 0.02261 -0.00156 -0.00461 170 7D+2 0.01497 -0.05545 0.03067 0.01478 171 7D-2 0.03661 -0.00564 0.02591 0.01043 172 8D 0 -0.03132 0.04680 0.09355 0.01511 173 8D+1 -0.03681 0.04973 -0.09050 -0.02837 174 8D-1 0.02477 -0.10697 0.01077 0.01785 175 8D+2 -0.07762 0.23004 -0.11945 -0.05679 176 8D-2 -0.14582 0.04335 -0.10380 -0.04167 177 9 C 1S 0.00347 -0.00564 0.01500 -0.04884 178 2S 0.23546 -0.28057 0.36852 -0.97655 179 3S -0.61177 0.87730 -0.83939 4.56077 180 4PX -0.10589 -0.07446 0.02295 -0.01768 181 4PY 0.04396 -0.06820 -0.06923 0.13697 182 4PZ 0.00512 -0.03490 -0.06551 -0.02306 183 5PX 0.89608 0.48560 0.54666 -1.07050 184 5PY -0.55526 0.92340 -2.21306 3.70234 185 5PZ -0.13603 0.44556 -0.70665 2.20962 186 10 O 1S -0.00307 0.00253 0.00018 -0.01028 187 2S 0.17268 -0.17298 0.56634 -0.49472 188 3S -0.41902 0.42792 -1.70724 1.73168 189 4PX 0.08719 0.08161 0.02574 -0.04610 190 4PY 0.00825 0.03128 -0.10778 0.15702 191 4PZ 0.02985 0.00430 -0.01155 0.10224 192 5PX -0.34065 -0.32476 -0.00927 0.14177 193 5PY -0.05141 -0.10276 0.07306 -0.41848 194 5PZ -0.10750 -0.02760 -0.10505 -0.37886 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 2.00437 2 2S 0.00933 0.30157 3 3S 0.05719 -0.17902 1.17144 4 4PX -0.00004 -0.00109 0.02493 1.99871 5 4PY -0.00082 0.00220 -0.05049 -0.00120 2.00334 6 4PZ 0.00281 0.00933 -0.12364 0.00001 0.00060 7 5PX 0.00076 0.00149 0.01294 0.02216 0.00017 8 5PY -0.00102 -0.01220 0.00705 -0.00088 0.01793 9 5PZ -0.00734 0.00236 -0.12787 -0.00329 0.00559 10 6PX 0.00146 -0.00319 0.01830 -0.04287 -0.01575 11 6PY -0.00809 0.00931 -0.08005 -0.01474 -0.00365 12 6PZ -0.01767 0.12223 -0.23995 -0.00983 0.02438 13 7D 0 0.00082 0.03641 0.29391 -0.00041 0.00031 14 7D+1 -0.00021 -0.00456 -0.02421 -0.00394 -0.00047 15 7D-1 0.00074 -0.01085 -0.11897 0.00000 -0.00564 16 7D+2 0.00093 0.02175 0.17053 0.00283 -0.00313 17 7D-2 0.00002 0.01347 0.11795 -0.00328 -0.00128 18 8D 0 0.00116 0.01216 0.09955 -0.00025 0.00001 19 8D+1 -0.00017 -0.00237 -0.00806 -0.00187 0.00026 20 8D-1 0.00020 -0.00162 -0.03959 0.00046 -0.00201 21 8D+2 0.00074 0.00536 0.05877 0.00003 0.00091 22 8D-2 0.00027 0.00317 0.04042 -0.00002 0.00075 23 2 Cu 1S -0.00446 -0.00701 -0.00602 -0.00035 0.00143 24 2S -0.00860 0.09044 -0.24491 -0.00794 0.03418 25 3S -0.00315 0.01420 -0.32438 -0.01081 0.03383 26 4PX 0.00032 0.00840 -0.01074 0.00578 0.00254 27 4PY -0.00167 -0.02945 0.02986 0.00281 -0.00546 28 4PZ -0.00046 -0.02030 0.03731 0.00092 -0.00187 29 5PX 0.00068 -0.01407 0.06022 -0.01897 -0.01541 30 5PY -0.00318 0.03568 -0.25653 -0.01721 0.04247 31 5PZ -0.00082 0.05186 -0.07973 -0.00688 0.01850 32 6PX 0.00201 -0.00909 0.03418 0.02033 0.00295 33 6PY -0.00098 0.01075 -0.05534 0.00213 0.00392 34 6PZ -0.00261 -0.00861 -0.01423 0.00105 0.00250 35 7D 0 0.00119 -0.00098 -0.06463 0.00111 -0.00527 36 7D+1 -0.00037 -0.02068 -0.00040 -0.00437 -0.00873 37 7D-1 0.00034 0.05041 0.08502 -0.00777 0.02302 38 7D+2 0.00029 -0.05805 -0.02611 0.01094 -0.02298 39 7D-2 0.00002 -0.03098 -0.02890 -0.00514 -0.01502 40 8D 0 0.00022 -0.00329 -0.01702 -0.00003 -0.00019 41 8D+1 -0.00016 -0.00629 -0.00121 -0.00192 -0.00196 42 8D-1 0.00033 0.01718 0.02736 -0.00185 0.00397 43 8D+2 -0.00014 -0.02066 -0.00751 0.00313 -0.00362 44 8D-2 -0.00013 -0.01096 -0.00925 -0.00314 -0.00296 45 3 Cu 1S -0.00343 -0.01095 0.00732 -0.00271 -0.00017 46 2S -0.01045 0.03172 -0.18256 -0.03538 0.00442 47 3S -0.00802 -0.02368 -0.04480 -0.00467 -0.00281 48 4PX 0.00075 0.00991 0.03269 0.00206 -0.00011 49 4PY 0.00078 0.00342 -0.00040 -0.00174 0.00457 50 4PZ -0.00147 -0.02480 -0.01014 0.00157 -0.00155 51 5PX 0.00370 -0.00780 0.03035 -0.00335 0.00166 52 5PY -0.00008 0.00205 -0.00985 0.00030 -0.00960 53 5PZ -0.00419 0.04870 -0.05496 -0.00952 0.00307 54 6PX 0.00144 -0.01374 0.01873 0.00280 -0.00036 55 6PY 0.00218 -0.00504 0.01526 0.00377 0.00332 56 6PZ -0.00078 0.00278 -0.03330 0.01394 -0.00043 57 7D 0 0.00116 0.01618 0.14124 -0.01455 -0.00078 58 7D+1 -0.00119 -0.04357 -0.29594 0.01690 -0.00154 59 7D-1 0.00100 0.01879 0.06927 -0.00551 -0.00631 60 7D+2 0.00117 0.01694 0.11694 -0.00410 -0.00077 61 7D-2 -0.00098 -0.00517 -0.11870 -0.00030 0.00172 62 8D 0 0.00026 0.00576 0.04618 -0.00484 0.00017 63 8D+1 -0.00014 -0.01496 -0.10120 0.00354 -0.00055 64 8D-1 0.00033 0.00699 0.02270 -0.00209 -0.00290 65 8D+2 0.00037 0.00576 0.03986 -0.00025 0.00010 66 8D-2 -0.00036 -0.00218 -0.03770 -0.00031 0.00098 67 4 Cu 1S -0.00335 -0.01091 0.00696 0.00148 0.00055 68 2S -0.01054 0.02924 -0.17961 0.01695 0.01393 69 3S -0.00922 -0.02514 -0.04727 0.00046 -0.00163 70 4PX -0.00047 -0.00164 -0.02400 0.00314 -0.00006 71 4PY 0.00058 0.00098 -0.00818 0.00090 0.00508 72 4PZ -0.00160 -0.02659 -0.01853 -0.00079 -0.00199 73 5PX -0.00205 -0.01084 -0.00354 -0.00867 -0.00190 74 5PY -0.00131 0.00170 -0.01939 -0.00067 -0.01042 75 5PZ -0.00547 0.04668 -0.06086 0.00493 0.00522 76 6PX -0.00110 0.00500 0.00156 0.00925 0.00403 77 6PY 0.00098 0.00442 -0.00007 0.00162 0.00384 78 6PZ -0.00125 0.00777 -0.03685 -0.00940 -0.00525 79 7D 0 0.00157 0.03530 0.28066 0.01200 0.00662 80 7D+1 0.00005 0.02045 0.12202 -0.00315 0.00338 81 7D-1 0.00157 0.03106 0.18727 0.00603 -0.00247 82 7D+2 0.00017 0.00178 -0.04762 0.00156 -0.00087 83 7D-2 0.00099 0.00295 0.09224 -0.00259 -0.00111 84 8D 0 0.00020 0.01226 0.09424 0.00362 0.00239 85 8D+1 -0.00017 0.00656 0.04389 -0.00257 0.00072 86 8D-1 0.00040 0.01115 0.06217 0.00178 -0.00181 87 8D+2 0.00008 0.00039 -0.01488 0.00027 0.00005 88 8D-2 0.00037 0.00099 0.02965 -0.00143 -0.00040 89 5 Cu 1S -0.00252 -0.00549 -0.00183 -0.00396 0.00112 90 2S -0.00475 0.14474 -0.22368 -0.04450 0.02329 91 3S -0.00859 0.08078 -0.19968 -0.01574 0.00731 92 4PX -0.00010 0.01777 0.08106 0.00182 0.00099 93 4PY 0.00100 -0.00165 -0.03237 -0.00143 0.00236 94 4PZ 0.00143 0.00595 -0.01547 -0.00298 0.00151 95 5PX 0.00279 -0.04314 0.07005 -0.00004 -0.00307 96 5PY -0.00133 0.01640 -0.04040 -0.00511 -0.00484 97 5PZ -0.00002 0.01020 0.01689 0.00314 0.00006 98 6PX 0.00150 0.01024 0.03490 -0.00424 0.00235 99 6PY 0.00024 -0.00902 -0.00857 0.01069 0.00258 100 6PZ 0.00445 -0.02474 0.04068 0.00808 -0.00381 101 7D 0 -0.00178 -0.03445 -0.16095 0.02023 -0.00809 102 7D+1 -0.00103 0.00200 0.02074 -0.00762 0.00284 103 7D-1 0.00004 -0.00188 0.01486 0.00496 -0.00011 104 7D+2 0.00139 0.03585 0.11206 -0.01678 0.01684 105 7D-2 -0.00314 -0.05561 -0.30142 0.02764 0.00116 106 8D 0 -0.00100 -0.01226 -0.05416 0.00391 -0.00143 107 8D+1 -0.00013 0.00213 0.00529 -0.00130 0.00030 108 8D-1 -0.00006 -0.00042 0.00487 0.00139 0.00001 109 8D+2 0.00113 0.01306 0.03804 -0.00160 0.00516 110 8D-2 -0.00169 -0.01970 -0.10052 0.00619 0.00228 111 6 Cu 1S -0.00328 -0.00733 0.00507 -0.00002 -0.00285 112 2S -0.00716 0.08551 -0.11657 0.00425 -0.04585 113 3S -0.00444 0.00772 -0.10402 -0.00377 0.00219 114 4PX 0.00022 0.00354 -0.00539 0.00215 -0.00051 115 4PY 0.00082 0.00795 0.04614 -0.00060 0.00249 116 4PZ -0.00184 -0.02470 -0.02838 -0.00063 0.00113 117 5PX -0.00021 -0.01062 0.00530 -0.00802 0.00106 118 5PY 0.00247 -0.00573 0.02039 0.00180 -0.00568 119 5PZ -0.00188 0.05740 -0.04554 0.00096 -0.00629 120 6PX -0.00225 0.01717 -0.04757 0.00294 0.00147 121 6PY 0.00547 -0.03137 0.13399 0.00205 -0.00803 122 6PZ 0.00329 -0.03322 0.06053 -0.00007 0.00705 123 7D 0 0.00029 0.01041 -0.04017 -0.00045 -0.01268 124 7D+1 -0.00002 0.00679 0.04363 -0.01059 -0.00199 125 7D-1 -0.00140 -0.06237 -0.31975 -0.00083 0.02602 126 7D+2 -0.00128 -0.02538 -0.21303 -0.00020 0.00772 127 7D-2 -0.00018 0.00236 -0.02667 0.00833 -0.00038 128 8D 0 0.00024 0.00390 -0.01693 -0.00006 -0.00408 129 8D+1 -0.00009 0.00222 0.01550 -0.00456 -0.00068 130 8D-1 -0.00085 -0.02242 -0.10846 -0.00034 0.00527 131 8D+2 -0.00090 -0.00938 -0.07503 -0.00013 0.00019 132 8D-2 -0.00018 0.00073 -0.00993 0.00371 -0.00027 133 7 Cu 1S -0.00256 -0.00543 -0.00147 0.00335 0.00228 134 2S -0.00505 0.14143 -0.21525 0.03440 0.03720 135 3S -0.01078 0.08603 -0.21017 0.01034 0.01104 136 4PX -0.00078 -0.01719 -0.05701 0.00127 -0.00191 137 4PY 0.00081 -0.00832 -0.05217 0.00129 0.00245 138 4PZ 0.00117 -0.00092 -0.03702 0.00215 0.00198 139 5PX -0.00241 0.02930 -0.05119 -0.00316 0.00340 140 5PY -0.00265 0.03020 -0.06433 0.00422 -0.00250 141 5PZ -0.00096 0.02409 -0.00837 -0.00133 0.00037 142 6PX -0.00228 -0.00126 -0.03419 0.00120 -0.00070 143 6PY -0.00188 -0.00269 -0.04187 -0.01088 -0.00243 144 6PZ 0.00260 -0.01876 0.01162 -0.00898 -0.00859 145 7D 0 -0.00085 -0.02685 -0.13839 -0.01357 -0.01262 146 7D+1 0.00144 0.01853 0.06121 0.00727 0.01010 147 7D-1 0.00150 0.02420 0.13998 0.00892 0.00516 148 7D+2 -0.00132 -0.01033 -0.10515 -0.00976 0.00962 149 7D-2 0.00269 0.06038 0.30051 0.02634 0.01998 150 8D 0 -0.00063 -0.01034 -0.04554 -0.00223 -0.00181 151 8D+1 0.00064 0.00563 0.02159 0.00126 0.00280 152 8D-1 0.00067 0.00842 0.04685 0.00221 0.00074 153 8D+2 -0.00033 -0.00296 -0.03461 -0.00446 0.00361 154 8D-2 0.00171 0.02178 0.10019 0.00458 0.00323 155 8 Cu 1S -0.00201 -0.00302 -0.01693 0.00193 -0.00583 156 2S -0.00096 0.17112 -0.16182 0.01548 -0.05243 157 3S -0.00754 0.13638 -0.34133 0.00651 -0.02019 158 4PX -0.00001 -0.00467 -0.03371 0.00104 0.00017 159 4PY -0.00083 0.01158 0.11988 -0.00063 0.00263 160 4PZ 0.00076 0.00775 -0.00547 0.00061 -0.00257 161 5PX -0.00032 0.01175 -0.02839 -0.00689 -0.00298 162 5PY 0.00197 -0.04883 0.09193 -0.00235 -0.00046 163 5PZ 0.00052 -0.00103 0.04148 -0.00144 0.00489 164 6PX -0.00082 -0.00061 -0.01936 0.00508 0.00310 165 6PY 0.00033 0.01899 0.01276 0.00275 -0.00001 166 6PZ 0.00707 -0.04053 0.11300 0.00216 -0.00791 167 7D 0 -0.00233 -0.04882 -0.06865 -0.00615 0.02065 168 7D+1 0.00026 -0.00259 -0.04846 0.00172 0.00414 169 7D-1 -0.00020 0.02692 0.06185 0.00606 -0.01730 170 7D+2 -0.00302 -0.05760 -0.18831 -0.01798 0.02519 171 7D-2 -0.00156 -0.03647 -0.10644 0.01057 0.02175 172 8D 0 -0.00133 -0.01636 -0.02491 -0.00128 0.00437 173 8D+1 -0.00016 -0.00194 -0.01566 0.00091 0.00085 174 8D-1 0.00029 0.01010 0.01906 0.00155 -0.00370 175 8D+2 -0.00233 -0.02177 -0.06527 -0.00573 0.00415 176 8D-2 -0.00137 -0.01385 -0.03680 0.00574 0.00508 177 9 C 1S 0.00061 0.01633 -0.02764 -0.00103 0.00416 178 2S 0.00091 -0.03250 0.07476 0.00318 -0.01226 179 3S 0.00275 -0.05306 0.10887 -0.00075 -0.00211 180 4PX -0.00029 0.00684 -0.04633 -0.00945 0.00006 181 4PY 0.00077 -0.04190 0.17392 -0.00028 -0.00797 182 4PZ 0.00102 0.00997 0.08339 0.00025 -0.00308 183 5PX -0.00042 0.00383 0.00228 -0.00176 -0.00101 184 5PY 0.00116 -0.02262 -0.00119 -0.00122 0.00210 185 5PZ 0.00101 0.00371 -0.01536 -0.00039 0.00102 186 10 O 1S 0.00047 -0.00152 -0.01322 0.00029 -0.00116 187 2S -0.00130 0.00663 0.02060 -0.00092 0.00363 188 3S -0.00088 0.00015 0.05894 -0.00071 0.00351 189 4PX 0.00002 -0.00306 0.03791 0.00889 0.00026 190 4PY 0.00004 0.02416 -0.17134 0.00072 0.00594 191 4PZ -0.00048 -0.01298 -0.02737 -0.00005 0.00265 192 5PX 0.00003 -0.00114 0.00714 0.00467 0.00073 193 5PY 0.00010 0.01318 -0.04139 0.00116 0.00103 194 5PZ -0.00042 -0.01015 0.00691 0.00027 0.00047 6 7 8 9 10 6 4PZ 1.99684 7 5PX -0.00351 0.12705 8 5PY 0.00853 -0.02789 0.18754 9 5PZ 0.04026 -0.00578 0.03518 0.10442 10 6PX -0.00557 0.05759 -0.01183 0.00877 0.43796 11 6PY 0.01709 0.00129 0.01723 -0.01275 -0.08705 12 6PZ -0.01006 0.00455 0.00389 0.01686 0.03154 13 7D 0 -0.00430 0.00913 -0.04308 0.05238 0.00238 14 7D+1 0.00062 0.04761 0.00475 -0.01440 0.14105 15 7D-1 -0.00155 0.00645 0.08980 0.00552 0.04766 16 7D+2 -0.00101 -0.02416 -0.02014 -0.03185 -0.01418 17 7D-2 -0.00085 0.07130 -0.00353 0.00070 0.09840 18 8D 0 -0.00160 0.00295 -0.01447 0.01557 0.00121 19 8D+1 0.00038 0.01428 0.00151 -0.00440 0.04868 20 8D-1 -0.00180 0.00261 0.02819 0.00079 0.01563 21 8D+2 -0.00014 -0.00799 -0.00754 -0.01088 -0.00723 22 8D-2 0.00034 0.02461 -0.00099 0.00057 0.03547 23 2 Cu 1S 0.00027 -0.00229 0.00876 0.00299 -0.00450 24 2S 0.00744 0.01513 -0.06592 0.00566 -0.00169 25 3S 0.02541 -0.02138 0.06487 0.03937 -0.11041 26 4PX 0.00118 -0.01285 -0.00932 -0.00327 0.02979 27 4PY -0.00321 -0.01198 0.03199 0.01198 0.00225 28 4PZ 0.00329 -0.00289 0.00651 -0.00973 -0.00632 29 5PX -0.00904 0.02491 0.00269 -0.00580 0.08217 30 5PY 0.02982 -0.00176 0.01276 0.02533 -0.02201 31 5PZ -0.00334 -0.00152 -0.00187 0.03344 0.01469 32 6PX 0.00037 -0.00741 0.01168 0.00102 -0.05952 33 6PY 0.00387 -0.00050 -0.00560 0.00664 -0.02523 34 6PZ 0.00883 0.00614 -0.02728 -0.01198 -0.03282 35 7D 0 -0.01218 -0.00356 0.00015 0.04728 0.00588 36 7D+1 -0.00029 0.00220 0.04244 0.00225 -0.11780 37 7D-1 0.00312 0.03004 -0.10834 -0.04579 -0.01629 38 7D+2 -0.01102 -0.02712 0.10202 0.03405 0.02467 39 7D-2 -0.00661 -0.02478 0.05542 0.01905 -0.11213 40 8D 0 -0.00372 -0.00176 0.00118 0.01552 0.00286 41 8D+1 0.00041 -0.00016 0.01404 0.00075 -0.03946 42 8D-1 -0.00097 0.00977 -0.03722 -0.01565 -0.00558 43 8D+2 -0.00225 -0.00853 0.03551 0.01175 0.00908 44 8D-2 -0.00147 -0.01018 0.01874 0.00615 -0.03832 45 3 Cu 1S 0.00337 -0.00419 0.00282 0.00420 -0.00511 46 2S 0.03607 0.06786 -0.02479 -0.05055 -0.02716 47 3S 0.01736 -0.01346 0.01483 0.01616 -0.14803 48 4PX 0.00305 0.00055 0.00338 -0.01668 0.01696 49 4PY 0.00013 0.00742 -0.02138 -0.00402 -0.02054 50 4PZ 0.00263 -0.00985 -0.00183 -0.00191 0.01868 51 5PX -0.01255 0.00921 -0.00264 0.00361 0.03915 52 5PY 0.00385 -0.00598 0.01938 0.00310 -0.00349 53 5PZ 0.00178 0.00256 -0.00319 0.01832 -0.02795 54 6PX 0.00670 0.01406 -0.01129 -0.01159 -0.03761 55 6PY -0.00639 -0.00755 0.03074 0.00785 0.02114 56 6PZ 0.00098 -0.00355 -0.00032 0.01539 -0.04442 57 7D 0 0.00462 0.04220 -0.00778 -0.06716 -0.06554 58 7D+1 -0.02360 -0.08313 0.02324 0.11789 0.05935 59 7D-1 0.00136 0.04512 -0.01155 0.00262 -0.00131 60 7D+2 0.00964 0.03462 -0.02728 -0.03695 -0.01086 61 7D-2 -0.00323 -0.01627 0.04701 0.03497 0.04024 62 8D 0 -0.00012 0.01300 -0.00184 -0.02256 -0.02170 63 8D+1 -0.00628 -0.02817 0.00756 0.04023 0.02229 64 8D-1 0.00090 0.01481 -0.00404 0.00186 -0.00011 65 8D+2 0.00303 0.01266 -0.00958 -0.01271 -0.00487 66 8D-2 -0.00116 -0.00523 0.01641 0.01118 0.01256 67 4 Cu 1S 0.00407 0.00092 0.00427 0.00546 0.00461 68 2S 0.04523 -0.02781 -0.03973 -0.06654 0.04044 69 3S 0.01914 0.00268 0.00959 0.01561 0.18134 70 4PX -0.00276 -0.00790 0.00341 0.01512 0.00071 71 4PY -0.00047 0.00128 -0.02062 0.00134 0.03416 72 4PZ 0.00107 0.00876 0.00299 0.00784 0.00139 73 5PX 0.00679 0.01082 -0.00095 -0.00784 0.02415 74 5PY 0.00767 -0.00004 0.01958 0.00183 0.00728 75 5PZ 0.00825 -0.00287 -0.00453 0.01478 0.04286 76 6PX -0.00160 0.00664 0.00622 0.00471 -0.02273 77 6PY -0.00843 -0.00245 0.03143 0.00943 0.02668 78 6PZ -0.00454 0.00014 0.00066 0.01922 0.02300 79 7D 0 0.02273 -0.02120 -0.02892 -0.13718 0.09994 80 7D+1 0.01564 -0.00826 -0.01369 -0.05783 -0.08351 81 7D-1 0.01304 -0.03393 -0.05924 -0.06324 0.02267 82 7D+2 -0.00061 -0.01491 0.01436 0.01978 -0.00414 83 7D-2 0.00319 0.01491 -0.03917 -0.02864 0.09184 84 8D 0 0.00517 -0.00653 -0.00889 -0.04639 0.03474 85 8D+1 0.00432 -0.00359 -0.00508 -0.02064 -0.02689 86 8D-1 0.00437 -0.01150 -0.02044 -0.02042 0.00768 87 8D+2 -0.00011 -0.00549 0.00464 0.00620 0.00044 88 8D-2 0.00092 0.00476 -0.01399 -0.00973 0.03000 89 5 Cu 1S -0.00018 -0.00301 0.00204 0.00146 -0.01188 90 2S -0.00905 0.08814 -0.05450 0.03874 -0.02422 91 3S 0.00397 -0.04422 0.01651 0.02034 -0.18055 92 4PX 0.00118 0.00293 -0.00092 -0.00283 0.02893 93 4PY -0.00092 0.00055 -0.02278 -0.00081 -0.05033 94 4PZ 0.00145 0.01443 -0.00930 -0.00564 -0.01606 95 5PX -0.00351 0.02225 -0.00267 0.00004 0.04309 96 5PY 0.00464 -0.01159 0.00837 -0.00126 0.00191 97 5PZ -0.00556 -0.01031 0.00540 0.00816 0.01754 98 6PX -0.00664 0.01117 -0.00476 -0.00168 0.00921 99 6PY 0.00234 -0.00891 -0.00206 -0.00109 -0.04585 100 6PZ 0.00479 0.00090 0.00200 -0.00066 -0.06931 101 7D 0 0.00392 -0.10115 0.03369 0.00252 0.00151 102 7D+1 0.01281 0.01362 0.03034 -0.06309 -0.04721 103 7D-1 -0.00471 0.00665 0.03838 0.02261 0.11255 104 7D+2 -0.00635 0.05382 -0.12868 0.02341 -0.10176 105 7D-2 0.00657 -0.15007 -0.00343 -0.00204 -0.00232 106 8D 0 0.00043 -0.03355 0.01103 0.00082 0.00180 107 8D+1 0.00540 0.00666 0.00920 -0.02081 -0.01827 108 8D-1 -0.00229 0.00186 0.01291 0.00724 0.03712 109 8D+2 -0.00151 0.01891 -0.04323 0.00796 -0.03563 110 8D-2 0.00094 -0.04948 -0.00100 -0.00050 0.00021 111 6 Cu 1S 0.00392 -0.00021 -0.00187 0.00179 0.00015 112 2S 0.02664 -0.01144 0.08144 -0.03175 0.00511 113 3S 0.01931 0.01060 -0.04040 0.00669 0.01581 114 4PX -0.00083 -0.00891 0.00206 0.00280 -0.04537 115 4PY 0.00245 0.00466 -0.01061 -0.01727 -0.00726 116 4PZ 0.00353 -0.00084 -0.00221 -0.00309 -0.03253 117 5PX 0.00216 0.01286 -0.00289 -0.00458 -0.00330 118 5PY -0.01271 -0.00641 0.02635 0.01330 -0.01045 119 5PZ -0.00326 -0.00184 0.00050 0.02081 -0.00388 120 6PX 0.00039 -0.00494 -0.01021 -0.00369 -0.02842 121 6PY 0.00098 -0.00451 0.02154 -0.00399 0.04349 122 6PZ -0.00173 -0.00499 0.01742 0.00944 0.04022 123 7D 0 -0.00254 0.00415 0.08012 -0.00922 0.01446 124 7D+1 0.00095 0.06632 -0.00306 0.00233 0.00785 125 7D-1 -0.02487 -0.00029 -0.08257 0.11869 0.04490 126 7D+2 -0.01461 0.00366 -0.03488 0.06374 -0.05685 127 7D-2 0.00042 -0.03486 -0.00699 -0.00428 0.09525 128 8D 0 -0.00302 0.00183 0.02698 -0.00350 0.00472 129 8D+1 0.00056 0.02281 -0.00113 0.00104 0.00112 130 8D-1 -0.00509 -0.00017 -0.02761 0.04058 0.01409 131 8D+2 -0.00336 0.00128 -0.01261 0.02191 -0.01811 132 8D-2 0.00031 -0.01157 -0.00275 -0.00146 0.03034 133 7 Cu 1S 0.00118 0.00116 0.00338 0.00241 0.01193 134 2S 0.00526 -0.06689 -0.07784 0.01108 0.02043 135 3S 0.01209 0.02641 0.01530 0.03046 0.15758 136 4PX -0.00097 0.00099 0.01218 0.00617 0.00016 137 4PY -0.00070 0.00920 -0.01656 0.00266 0.08092 138 4PZ 0.00205 -0.00593 -0.00949 -0.00773 0.01575 139 5PX 0.00320 0.01240 0.00098 0.00161 0.03978 140 5PY 0.00791 0.01304 0.01209 0.00394 0.01704 141 5PZ -0.00515 0.00940 0.00897 0.01243 -0.00930 142 6PX 0.00363 0.00345 0.00788 0.00412 -0.04106 143 6PY 0.00154 0.01287 -0.00305 0.00344 0.05439 144 6PZ 0.00455 0.00098 -0.00030 0.00127 0.04534 145 7D 0 -0.00994 0.06676 0.02512 0.06718 0.08117 146 7D+1 -0.00778 -0.00976 -0.09409 0.03421 0.20603 147 7D-1 -0.00851 -0.07787 -0.02660 0.01443 -0.26902 148 7D+2 -0.00029 0.07671 -0.04297 0.02958 0.14017 149 7D-2 0.00582 -0.09036 -0.11142 -0.04210 0.22146 150 8D 0 -0.00366 0.02290 0.00893 0.02259 0.02447 151 8D+1 -0.00320 -0.00253 -0.03057 0.01170 0.06795 152 8D-1 -0.00358 -0.02514 -0.00840 0.00476 -0.09000 153 8D+2 -0.00075 0.02420 -0.01503 0.00956 0.04684 154 8D-2 0.00200 -0.03054 -0.03798 -0.01419 0.07594 155 8 Cu 1S -0.00161 -0.00158 0.00308 0.00384 0.00399 156 2S -0.01552 -0.04423 0.12994 0.06174 -0.00368 157 3S 0.00272 0.01376 -0.05410 0.03293 0.06772 158 4PX -0.00040 -0.01063 -0.00387 0.00156 -0.10477 159 4PY 0.00182 -0.00102 -0.00209 -0.00979 -0.05362 160 4PZ 0.00071 -0.00534 0.01537 -0.00327 -0.02919 161 5PX 0.00025 0.00353 -0.00463 -0.00129 -0.01093 162 5PY -0.00340 -0.01022 0.03645 0.00792 -0.00713 163 5PZ -0.00706 0.00277 -0.00875 -0.00060 -0.00671 164 6PX 0.00179 -0.00929 -0.00605 -0.00183 -0.08069 165 6PY -0.00693 -0.00735 0.01307 -0.00041 -0.03690 166 6PZ 0.00174 -0.00511 0.01477 0.00240 0.02268 167 7D 0 0.01249 0.03029 -0.12315 -0.04620 0.07172 168 7D+1 -0.00424 0.00086 -0.01549 0.01812 0.18817 169 7D-1 0.01215 -0.03083 0.03706 -0.07999 0.00191 170 7D+2 0.01158 0.14835 -0.16940 -0.07145 0.18475 171 7D-2 0.00740 -0.11936 -0.13610 -0.06125 -0.43008 172 8D 0 0.00345 0.00938 -0.03998 -0.01461 0.02335 173 8D+1 -0.00174 0.00016 -0.00657 0.00544 0.06259 174 8D-1 0.00627 -0.01090 0.01420 -0.02622 0.00114 175 8D+2 0.00309 0.04963 -0.05720 -0.02383 0.06074 176 8D-2 0.00208 -0.03927 -0.04646 -0.02050 -0.14303 177 9 C 1S 0.00117 0.00664 -0.02273 -0.00912 -0.01376 178 2S -0.00449 -0.01051 0.03511 0.01453 0.02766 179 3S 0.00703 -0.02259 0.07836 0.02841 0.04206 180 4PX -0.00065 0.01708 0.00089 0.00521 -0.04643 181 4PY 0.00071 0.00440 0.00761 -0.01727 0.05403 182 4PZ -0.00731 -0.00087 0.00755 0.00788 0.00128 183 5PX -0.00110 0.01470 -0.00598 -0.00257 -0.00328 184 5PY 0.00387 -0.00620 0.02936 0.01181 0.00088 185 5PZ 0.00029 -0.00407 0.01606 0.01585 -0.00938 186 10 O 1S -0.00038 -0.00279 0.00842 0.00425 -0.01319 187 2S 0.00106 0.00654 -0.02044 -0.00963 0.02401 188 3S 0.00122 0.00829 -0.02443 -0.01579 0.03118 189 4PX 0.00075 -0.02149 -0.00712 -0.00900 -0.08890 190 4PY -0.00106 -0.01180 0.01111 0.03153 -0.05678 191 4PZ 0.00650 -0.00421 0.00281 -0.00873 -0.05553 192 5PX 0.00086 -0.01589 -0.00168 -0.00243 -0.04078 193 5PY -0.00234 -0.00316 -0.00404 0.00666 -0.01728 194 5PZ 0.00281 -0.00045 -0.00391 -0.01128 -0.01698 11 12 13 14 15 11 6PY 0.50714 12 6PZ 0.06804 0.15649 13 7D 0 -0.00470 0.10385 1.51005 14 7D+1 0.02283 -0.02695 -0.00362 1.50002 15 7D-1 0.07577 0.01959 0.00112 0.00921 1.48315 16 7D+2 -0.02746 -0.10806 -0.00682 -0.00841 0.01345 17 7D-2 0.02335 -0.02685 -0.00086 0.00378 0.01172 18 8D 0 -0.00114 0.03429 0.48560 -0.00125 0.00006 19 8D+1 0.00741 -0.00912 -0.00147 0.48160 0.00134 20 8D-1 0.02823 0.00852 0.00047 0.00125 0.48028 21 8D+2 -0.00620 -0.03707 -0.00134 -0.00081 0.00185 22 8D-2 0.00840 -0.00927 0.00049 0.00192 0.00287 23 2 Cu 1S 0.00716 0.00705 0.00067 0.00010 -0.00262 24 2S 0.01331 0.08431 -0.01972 -0.01550 0.02899 25 3S 0.28563 0.16243 -0.09777 -0.05224 0.16922 26 4PX 0.00050 0.00825 -0.00233 -0.00131 0.00399 27 4PY 0.00505 -0.01609 0.00730 0.00622 -0.02171 28 4PZ 0.02785 0.00082 0.00525 -0.00049 0.00741 29 5PX -0.01210 -0.01226 0.02705 0.04099 -0.01227 30 5PY 0.09576 0.10875 -0.08582 -0.02530 0.13079 31 5PZ -0.00391 0.02974 -0.00109 -0.00470 -0.00964 32 6PX -0.02436 -0.01955 -0.01168 -0.04101 -0.00702 33 6PY 0.06550 0.01641 -0.03029 0.00025 0.00698 34 6PZ 0.06485 0.01127 0.03903 -0.01885 -0.01633 35 7D 0 -0.09711 -0.02763 0.00904 -0.00847 0.02267 36 7D+1 0.03504 -0.00551 -0.00898 -0.01268 -0.00194 37 7D-1 -0.03295 -0.05330 0.02741 -0.00652 0.00944 38 7D+2 0.04575 -0.01486 0.01564 -0.01594 0.01613 39 7D-2 0.00716 -0.01706 0.00923 0.02065 0.01626 40 8D 0 -0.03600 -0.01192 -0.00001 -0.00083 0.00019 41 8D+1 0.01211 -0.00120 -0.00227 -0.00491 0.00119 42 8D-1 -0.01016 -0.01740 0.00757 -0.00139 -0.00159 43 8D+2 0.01194 -0.00578 0.00321 -0.00359 0.00276 44 8D-2 0.00091 -0.00624 0.00204 0.00572 0.00372 45 3 Cu 1S -0.00006 -0.00621 -0.00318 -0.00054 -0.00024 46 2S -0.01274 0.04946 -0.01451 -0.04419 0.00765 47 3S -0.08200 -0.02140 0.03717 -0.26799 0.00706 48 4PX -0.01528 0.00905 0.01444 -0.01465 0.00005 49 4PY -0.00283 -0.00824 -0.00068 0.00103 0.01199 50 4PZ -0.03005 0.00690 -0.00580 0.01943 -0.00017 51 5PX 0.00723 -0.00398 -0.02639 0.09420 -0.00032 52 5PY 0.00824 0.00158 -0.01860 -0.00046 0.01149 53 5PZ -0.00992 0.02424 0.04366 -0.08906 0.00168 54 6PX 0.06091 -0.00211 0.00451 0.01091 0.00654 55 6PY -0.08071 -0.01138 -0.01840 -0.00094 0.01215 56 6PZ 0.02576 0.00534 0.00465 -0.02447 0.00830 57 7D 0 -0.10208 -0.05054 0.02473 0.01509 0.00109 58 7D+1 -0.07253 -0.04145 0.02369 -0.04024 0.00353 59 7D-1 0.03482 -0.03306 -0.00395 0.00473 0.02018 60 7D+2 -0.02726 -0.03239 -0.03592 -0.00119 -0.00062 61 7D-2 0.08066 0.07985 0.00458 0.00239 -0.04665 62 8D 0 -0.03413 -0.01746 0.00353 0.00317 0.00142 63 8D+1 -0.02575 -0.01434 0.00503 -0.00830 0.00019 64 8D-1 0.01203 -0.01153 -0.00490 0.00204 0.00363 65 8D+2 -0.01035 -0.01024 -0.00818 -0.00300 0.00114 66 8D-2 0.02679 0.02546 0.00161 0.00076 -0.01412 67 4 Cu 1S 0.00140 -0.00430 -0.00226 0.00260 -0.00074 68 2S 0.01372 0.06603 0.01225 0.04371 0.01216 69 3S -0.02049 0.03943 0.17864 0.19687 0.09632 70 4PX 0.02677 -0.00508 -0.01046 0.00541 -0.00599 71 4PY 0.01275 -0.00131 -0.00878 -0.00689 0.01047 72 4PZ -0.02296 0.00232 -0.02167 -0.01377 -0.00907 73 5PX 0.00380 0.00208 0.03966 0.02998 0.02224 74 5PY 0.00846 0.00492 0.00524 0.02774 0.02012 75 5PZ 0.00469 0.04013 0.10922 0.07020 0.03748 76 6PX -0.02572 -0.00654 0.00854 0.00702 -0.01402 77 6PY -0.09412 -0.00854 -0.01047 0.01280 0.01340 78 6PZ 0.00331 0.01129 0.01387 0.01677 0.01169 79 7D 0 -0.01415 0.02068 -0.01635 -0.03152 -0.02243 80 7D+1 0.09462 0.05569 -0.03718 0.02100 -0.01797 81 7D-1 0.05455 -0.02760 -0.02932 -0.01573 0.03291 82 7D+2 -0.00664 -0.00300 -0.00529 0.02107 -0.02119 83 7D-2 -0.09504 -0.05784 -0.01450 0.00601 0.02745 84 8D 0 -0.00370 0.00736 -0.00403 -0.00593 -0.00360 85 8D+1 0.03331 0.02000 -0.00537 0.00477 -0.00343 86 8D-1 0.01855 -0.00894 -0.00968 -0.00239 0.00763 87 8D+2 -0.00309 -0.00113 -0.00091 0.00614 -0.00541 88 8D-2 -0.03255 -0.01819 -0.00235 0.00053 0.00968 89 5 Cu 1S -0.00193 -0.00634 0.00087 0.00479 -0.00239 90 2S 0.01926 0.06246 -0.00327 0.06087 -0.02718 91 3S 0.04093 -0.02284 -0.10151 0.12364 -0.06067 92 4PX 0.00924 0.00351 -0.01277 0.00824 -0.00650 93 4PY -0.04011 -0.00585 0.00646 -0.00539 -0.00142 94 4PZ 0.01312 0.01482 -0.01078 -0.01398 0.00725 95 5PX -0.00759 -0.00626 0.05048 -0.03589 0.03158 96 5PY -0.00212 0.00547 -0.03769 0.03120 0.01874 97 5PZ 0.00632 0.01434 0.05067 0.02761 -0.01158 98 6PX -0.03052 0.00625 0.02303 -0.01939 -0.00480 99 6PY -0.05581 -0.00582 0.00509 -0.02888 -0.02374 100 6PZ 0.02721 -0.02841 -0.02233 -0.04122 0.00908 101 7D 0 -0.09263 0.06635 -0.01208 0.02335 -0.01692 102 7D+1 0.13683 0.00585 0.01925 0.03909 -0.02392 103 7D-1 0.31937 0.10552 -0.00906 -0.02433 -0.01014 104 7D+2 -0.28328 -0.03769 0.00598 -0.00528 0.00934 105 7D-2 -0.12092 0.06204 -0.00187 0.01226 0.00410 106 8D 0 -0.03057 0.02235 -0.00309 0.00679 -0.00510 107 8D+1 0.04598 0.00191 0.00118 0.00680 -0.00568 108 8D-1 0.10696 0.03591 0.00002 -0.00479 -0.00222 109 8D+2 -0.09355 -0.01254 0.00409 -0.00103 -0.00070 110 8D-2 -0.03941 0.02077 -0.00057 0.00209 -0.00239 111 6 Cu 1S -0.00599 -0.00343 -0.00397 0.00121 0.00057 112 2S -0.06449 0.04877 -0.02011 0.01648 -0.06136 113 3S -0.08037 0.03012 -0.05112 0.02668 -0.22551 114 4PX -0.01975 -0.01423 0.00057 0.01048 0.00102 115 4PY 0.01557 -0.00576 0.01491 0.00119 -0.02512 116 4PZ 0.04459 0.02849 0.00004 0.00156 0.01677 117 5PX -0.00115 -0.00828 -0.00497 -0.01229 -0.00314 118 5PY 0.01323 0.00341 -0.01580 -0.01160 0.11114 119 5PZ -0.00748 0.02693 0.00943 -0.00299 -0.06602 120 6PX 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0.02700 0.00631 140 5PY 0.00450 0.01119 -0.06369 0.01770 0.01739 141 5PZ 0.00383 0.01298 0.00848 -0.03849 -0.02882 142 6PX 0.02596 -0.00889 -0.03030 -0.01745 -0.00760 143 6PY -0.04074 0.01217 0.00228 0.01042 -0.00852 144 6PZ 0.04409 -0.00701 -0.01285 0.03967 0.02818 145 7D 0 -0.20606 0.04934 -0.01571 0.00926 0.00921 146 7D+1 -0.21224 -0.03602 0.01315 0.01642 0.03868 147 7D-1 0.21092 -0.00941 0.01376 0.03657 0.00976 148 7D+2 -0.16804 0.07238 0.00383 0.00829 -0.01176 149 7D-2 -0.10300 -0.04204 0.00396 -0.01533 -0.01351 150 8D 0 -0.06953 0.01564 -0.00358 -0.00081 0.00076 151 8D+1 -0.07166 -0.01268 0.00447 0.00108 0.00724 152 8D-1 0.07011 -0.00265 0.00488 0.00537 0.00144 153 8D+2 -0.05373 0.02471 0.00273 0.00294 -0.00500 154 8D-2 -0.03337 -0.01343 0.00078 -0.00455 -0.00336 155 8 Cu 1S -0.01108 0.00126 0.00196 0.00017 0.00199 156 2S -0.04708 0.06458 -0.00974 -0.02027 0.07825 157 3S -0.15401 0.05967 -0.06018 -0.00983 0.14805 158 4PX -0.02534 -0.01655 0.00377 -0.00340 -0.00620 159 4PY 0.08919 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-0.00625 179 3S -0.14854 -0.06140 -0.02039 -0.00569 0.03274 180 4PX 0.04052 0.00964 -0.00008 0.00530 0.00582 181 4PY -0.21045 -0.07506 0.00137 0.00478 0.00091 182 4PZ -0.05619 -0.01915 0.01270 0.00260 -0.01963 183 5PX -0.00288 -0.00136 0.00279 0.00114 -0.00197 184 5PY -0.01111 -0.00855 -0.01335 -0.00131 0.00767 185 5PZ 0.01661 0.01012 -0.00181 -0.00366 0.01178 186 10 O 1S 0.05425 0.00081 0.00027 0.00016 0.00000 187 2S -0.10022 0.00163 -0.00058 -0.00064 0.00038 188 3S -0.13854 -0.00792 -0.00062 0.00084 -0.00511 189 4PX -0.06405 -0.02809 -0.00058 -0.00487 -0.00378 190 4PY 0.18425 0.03822 0.00122 -0.00230 -0.00596 191 4PZ 0.11693 0.01021 -0.00930 -0.00191 0.01659 192 5PX -0.01695 -0.00938 -0.00096 -0.00289 -0.00136 193 5PY 0.04668 0.01042 0.00445 -0.00083 -0.00557 194 5PZ 0.02764 -0.00368 -0.00501 0.00045 0.00433 16 17 18 19 20 16 7D+2 1.47895 17 7D-2 -0.01184 1.48940 18 8D 0 -0.00072 0.00095 0.15639 19 8D+1 -0.00137 0.00208 -0.00050 0.15486 20 8D-1 0.00256 0.00333 0.00007 -0.00016 0.15580 21 8D+2 0.48276 -0.00258 0.00007 0.00019 0.00000 22 8D-2 -0.00249 0.48576 0.00055 0.00088 0.00076 23 2 Cu 1S -0.00113 0.00017 0.00005 -0.00001 -0.00051 24 2S -0.08069 -0.03724 -0.00576 -0.00516 0.00885 25 3S -0.26682 -0.12999 -0.03340 -0.01833 0.05983 26 4PX -0.00962 0.00574 -0.00013 0.00021 0.00075 27 4PY 0.02099 0.01430 0.00071 0.00169 -0.00482 28 4PZ 0.01365 0.00508 0.00092 -0.00052 0.00485 29 5PX 0.03554 0.02838 0.00902 0.01436 -0.00414 30 5PY -0.17583 -0.09196 -0.02806 -0.00895 0.04482 31 5PZ -0.07489 -0.02342 -0.00011 -0.00176 -0.00284 32 6PX -0.00591 0.03353 -0.00398 -0.01428 -0.00257 33 6PY -0.01099 0.00116 -0.01016 -0.00020 0.00309 34 6PZ -0.01152 0.00824 0.01293 -0.00638 -0.00553 35 7D 0 0.01246 0.01042 -0.00113 -0.00159 0.00301 36 7D+1 -0.01394 0.02317 -0.00216 -0.00548 -0.00028 37 7D-1 0.00549 0.01167 0.00789 -0.00204 0.00204 38 7D+2 0.00384 -0.02032 0.00336 -0.00398 0.00327 39 7D-2 -0.01891 0.02780 0.00217 0.00589 0.00360 40 8D 0 0.00339 0.00326 -0.00140 0.00011 -0.00137 41 8D+1 -0.00274 0.00408 -0.00051 -0.00208 0.00054 42 8D-1 0.00102 0.00261 0.00219 -0.00040 -0.00098 43 8D+2 -0.00006 -0.00366 0.00040 -0.00079 0.00035 44 8D-2 -0.00358 0.00357 0.00034 0.00157 0.00070 45 3 Cu 1S -0.00008 0.00300 -0.00120 0.00012 -0.00032 46 2S 0.00979 0.03068 -0.00519 -0.01457 0.00362 47 3S 0.09050 0.01770 0.01187 -0.09080 0.00201 48 4PX 0.00167 -0.00428 0.00466 -0.00293 0.00007 49 4PY -0.00499 -0.01210 -0.00033 -0.00028 0.00532 50 4PZ -0.01348 -0.00147 0.00077 0.00402 -0.00069 51 5PX -0.03410 0.02131 -0.00812 0.03183 -0.00036 52 5PY 0.00027 0.01733 -0.00622 -0.00030 0.00469 53 5PZ 0.04619 0.01805 0.01476 -0.02958 0.00079 54 6PX -0.02458 0.00019 0.00201 0.00372 0.00246 55 6PY 0.02063 0.00623 -0.00650 -0.00036 0.00400 56 6PZ -0.01853 -0.00048 0.00162 -0.00844 0.00284 57 7D 0 -0.03654 0.00250 0.00407 0.00144 0.00147 58 7D+1 -0.00149 -0.00274 0.00266 -0.00814 -0.00073 59 7D-1 -0.00821 -0.03610 -0.00408 0.00011 0.00339 60 7D+2 -0.00884 0.00348 -0.00782 -0.00163 0.00113 61 7D-2 0.00893 0.01913 0.00091 0.00184 -0.01349 62 8D 0 -0.00873 0.00181 -0.00017 -0.00012 0.00084 63 8D+1 -0.00135 -0.00107 -0.00008 -0.00099 -0.00061 64 8D-1 -0.00405 -0.00727 -0.00255 0.00018 0.00014 65 8D+2 -0.00429 -0.00091 -0.00133 -0.00143 0.00083 66 8D-2 0.00450 0.00369 0.00027 0.00060 -0.00407 67 4 Cu 1S 0.00146 -0.00279 -0.00108 0.00075 -0.00056 68 2S 0.01509 -0.02894 0.00356 0.01428 0.00486 69 3S 0.01650 -0.01034 0.05999 0.06740 0.03225 70 4PX 0.00826 -0.00072 -0.00367 0.00306 -0.00186 71 4PY -0.00610 0.00056 -0.00273 -0.00186 0.00547 72 4PZ -0.00331 -0.00517 -0.00360 -0.00357 -0.00263 73 5PX -0.02042 0.02314 0.01291 0.01074 0.00752 74 5PY 0.00581 -0.00621 0.00156 0.00930 0.00774 75 5PZ 0.01934 0.00849 0.03634 0.02330 0.01246 76 6PX 0.00477 0.01527 0.00263 0.00257 -0.00470 77 6PY 0.02447 0.00107 -0.00393 0.00466 0.00449 78 6PZ -0.00734 -0.01139 0.00468 0.00588 0.00370 79 7D 0 -0.00626 -0.01717 -0.00211 -0.00619 -0.00250 80 7D+1 0.02430 0.00965 -0.00554 0.00231 -0.00361 81 7D-1 -0.02023 0.01290 -0.00731 -0.00211 0.00813 82 7D+2 -0.00773 -0.00236 -0.00210 0.00587 -0.00590 83 7D-2 -0.00767 -0.01742 -0.00259 0.00018 0.00890 84 8D 0 -0.00062 -0.00533 -0.00020 -0.00057 0.00046 85 8D+1 0.00568 0.00385 0.00049 0.00006 -0.00034 86 8D-1 -0.00598 0.00038 -0.00239 0.00023 0.00165 87 8D+2 -0.00399 0.00026 -0.00042 0.00170 -0.00145 88 8D-2 -0.00395 -0.00656 0.00000 -0.00046 0.00315 89 5 Cu 1S 0.00105 0.00328 0.00002 0.00177 -0.00095 90 2S 0.04009 -0.00647 -0.00101 0.01981 -0.00830 91 3S 0.11829 -0.07646 -0.03416 0.04194 -0.02124 92 4PX 0.01417 -0.02545 -0.00059 0.00149 -0.00174 93 4PY -0.02301 -0.00571 0.00049 -0.00151 -0.00031 94 4PZ 0.00206 -0.00393 -0.00367 -0.00496 0.00263 95 5PX -0.06118 0.07798 0.01657 -0.01165 0.01052 96 5PY 0.04895 0.01278 -0.01258 0.01027 0.00619 97 5PZ -0.01712 0.01369 0.01671 0.00822 -0.00373 98 6PX -0.00333 -0.01164 0.00757 -0.00675 -0.00137 99 6PY -0.02282 -0.01434 0.00155 -0.00983 -0.00863 100 6PZ 0.00426 0.00675 -0.00735 -0.01416 0.00309 101 7D 0 0.00377 -0.00832 -0.00115 0.00729 -0.00587 102 7D+1 -0.00041 0.02125 0.00447 0.00504 -0.00458 103 7D-1 0.01846 0.01282 -0.00106 -0.00410 -0.00256 104 7D+2 0.01049 0.04675 0.00290 -0.00110 0.00189 105 7D-2 0.05365 0.01308 -0.00036 0.00439 -0.00077 106 8D 0 0.00236 -0.00476 -0.00006 0.00213 -0.00176 107 8D+1 0.00375 0.00513 -0.00020 -0.00035 -0.00074 108 8D-1 0.00577 0.00406 0.00067 -0.00032 -0.00044 109 8D+2 0.00068 0.00925 0.00165 -0.00014 -0.00060 110 8D-2 0.01516 0.00004 -0.00012 0.00084 -0.00147 111 6 Cu 1S 0.00015 0.00017 -0.00099 0.00032 -0.00023 112 2S -0.01899 0.00885 -0.00744 0.00523 -0.01941 113 3S -0.14588 -0.00706 -0.01841 0.00953 -0.07747 114 4PX 0.00201 -0.01603 -0.00015 0.00353 0.00017 115 4PY -0.00412 -0.00015 0.00354 0.00052 -0.00400 116 4PZ 0.01577 -0.00025 0.00323 -0.00001 0.00099 117 5PX -0.01246 0.04676 -0.00159 -0.00352 -0.00096 118 5PY 0.03289 0.00224 -0.00433 -0.00410 0.03716 119 5PZ -0.04916 0.00506 0.00297 -0.00091 -0.02188 120 6PX -0.02044 -0.03255 0.00406 0.00438 0.00399 121 6PY 0.06755 0.02279 0.00263 0.00529 -0.00583 122 6PZ 0.04610 0.01678 -0.00535 0.00592 -0.01016 123 7D 0 0.03765 0.00554 0.00722 -0.00044 -0.00435 124 7D+1 -0.00179 -0.03565 -0.00252 -0.00190 0.00282 125 7D-1 -0.00764 0.00433 0.00177 -0.00052 -0.01177 126 7D+2 -0.00842 -0.00587 0.00666 0.00167 -0.00213 127 7D-2 -0.00474 0.02622 -0.00087 -0.00859 0.00082 128 8D 0 0.00878 0.00282 0.00079 -0.00038 -0.00119 129 8D+1 -0.00107 -0.00496 -0.00121 -0.00202 0.00109 130 8D-1 -0.00263 0.00126 0.00075 -0.00048 -0.00301 131 8D+2 -0.00194 -0.00117 0.00062 0.00072 0.00033 132 8D-2 0.00010 0.00348 -0.00052 -0.00140 0.00041 133 7 Cu 1S 0.00374 -0.00057 -0.00082 -0.00059 -0.00133 134 2S 0.03651 0.04798 -0.00964 -0.00750 -0.01079 135 3S 0.06353 0.16915 -0.05181 0.00299 -0.01051 136 4PX 0.01338 -0.02225 0.00120 -0.00029 -0.00091 137 4PY -0.01761 -0.02001 0.00094 -0.00117 0.00056 138 4PZ -0.00100 -0.01085 -0.00008 0.00484 0.00470 139 5PX -0.02205 0.09211 -0.01458 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-0.01913 -0.01901 0.00041 -0.00113 0.00249 160 4PZ -0.00922 -0.00593 -0.00405 0.00166 -0.00455 161 5PX -0.03956 0.04362 -0.00371 0.00419 0.00747 162 5PY 0.02281 0.04571 0.01082 0.00463 -0.01626 163 5PZ 0.00989 0.01594 0.01610 -0.00574 0.00727 164 6PX 0.01238 -0.02671 -0.00268 -0.01077 -0.00117 165 6PY -0.03057 -0.01551 0.00826 -0.00593 -0.00332 166 6PZ 0.04024 0.01871 -0.01040 0.00629 -0.01685 167 7D 0 0.00381 0.00200 0.00075 -0.00321 0.00922 168 7D+1 -0.01797 0.01608 -0.00289 -0.00083 -0.00261 169 7D-1 0.01560 0.01674 0.00454 -0.00140 0.00509 170 7D+2 -0.00439 -0.03793 -0.00153 -0.00384 0.00618 171 7D-2 -0.03684 0.02809 -0.00026 0.00224 0.00482 172 8D 0 -0.00390 -0.00264 0.00014 -0.00087 0.00276 173 8D+1 -0.00419 0.00367 -0.00038 0.00071 -0.00024 174 8D-1 0.00534 0.00390 -0.00032 0.00063 0.00001 175 8D+2 -0.00700 -0.00986 -0.00175 -0.00075 0.00234 176 8D-2 -0.00946 0.00170 -0.00081 -0.00028 0.00120 177 9 C 1S -0.00627 -0.00288 -0.00139 -0.00099 0.00307 178 2S 0.02228 0.01035 0.00391 0.00261 -0.00765 179 3S -0.03275 -0.01798 -0.00519 -0.00109 0.00634 180 4PX -0.00699 0.00016 0.00003 0.00226 0.00225 181 4PY 0.02046 0.00829 0.00047 0.00173 -0.00033 182 4PZ 0.00513 0.00782 0.00475 0.00067 -0.00608 183 5PX 0.00374 0.00867 0.00086 0.00045 -0.00030 184 5PY -0.02100 -0.00857 -0.00429 -0.00009 0.00121 185 5PZ -0.01184 -0.00570 -0.00014 -0.00126 0.00383 186 10 O 1S 0.00119 0.00051 -0.00040 -0.00017 0.00091 187 2S -0.00356 -0.00160 0.00079 0.00021 -0.00158 188 3S -0.00111 0.00018 0.00029 0.00035 -0.00208 189 4PX 0.00331 0.00033 -0.00036 -0.00190 -0.00065 190 4PY -0.00984 -0.00284 0.00123 -0.00005 -0.00434 191 4PZ -0.00042 -0.00488 -0.00311 -0.00022 0.00422 192 5PX 0.00106 -0.00345 -0.00032 -0.00109 -0.00048 193 5PY 0.00114 0.00083 0.00160 -0.00027 -0.00183 194 5PZ 0.00328 -0.00093 -0.00195 0.00028 0.00111 21 22 23 24 25 21 8D+2 0.15786 22 8D-2 -0.00039 0.15869 23 2 Cu 1S -0.00051 -0.00007 1.99591 24 2S -0.02580 -0.01203 -0.00189 0.28169 25 3S -0.09064 -0.04482 0.03843 0.04014 0.75575 26 4PX -0.00287 0.00330 0.00046 0.00203 0.00204 27 4PY 0.00404 0.00337 -0.00281 -0.00995 0.02103 28 4PZ 0.00300 0.00087 0.00056 0.00055 -0.02910 29 5PX 0.01171 0.01032 -0.00629 -0.01642 -0.07469 30 5PY -0.05945 -0.03110 0.02802 0.07230 0.34698 31 5PZ -0.02571 -0.00803 0.00685 0.01695 0.04167 32 6PX -0.00165 0.01102 0.00097 -0.00244 -0.01229 33 6PY -0.00382 0.00013 0.00087 -0.02332 0.07947 34 6PZ -0.00353 0.00277 -0.00544 0.00083 0.01573 35 7D 0 0.00155 0.00221 -0.00085 0.04016 0.10819 36 7D+1 -0.00280 0.00483 -0.00008 0.00909 -0.02053 37 7D-1 0.00224 0.00276 0.00048 -0.06357 -0.09653 38 7D+2 -0.00184 -0.00493 -0.00114 0.05285 -0.01827 39 7D-2 -0.00511 0.00496 -0.00055 0.03130 0.01178 40 8D 0 0.00021 0.00066 0.00042 0.00844 0.03208 41 8D+1 -0.00036 0.00043 0.00047 0.00394 -0.00399 42 8D-1 0.00064 0.00058 -0.00186 -0.01984 -0.03664 43 8D+2 -0.00120 -0.00069 0.00126 0.01531 -0.00303 44 8D-2 -0.00088 -0.00030 0.00081 0.00938 0.00598 45 3 Cu 1S -0.00004 0.00103 -0.00231 -0.00732 -0.00688 46 2S 0.00302 0.01038 -0.00475 0.07349 -0.01573 47 3S 0.03132 0.00615 -0.00731 -0.01360 -0.12790 48 4PX -0.00100 -0.00086 0.00040 0.00615 0.03004 49 4PY -0.00138 -0.00526 0.00122 0.02072 0.01676 50 4PZ -0.00353 -0.00104 -0.00127 -0.01574 -0.02701 51 5PX -0.01156 0.00728 0.00229 -0.00105 0.01440 52 5PY 0.00014 0.00537 0.00459 -0.03346 0.04119 53 5PZ 0.01484 0.00632 -0.00241 0.02169 -0.02208 54 6PX -0.00810 0.00015 0.00089 0.00172 0.04140 55 6PY 0.00673 0.00181 0.00199 -0.00915 -0.01635 56 6PZ -0.00646 0.00022 0.00123 0.00380 0.02849 57 7D 0 -0.00756 0.00051 -0.00192 -0.03170 -0.16330 58 7D+1 -0.00108 0.00021 0.00112 -0.01623 -0.10974 59 7D-1 -0.00323 -0.00798 0.00058 -0.01799 -0.10608 60 7D+2 -0.00443 -0.00047 -0.00115 -0.04130 -0.25898 61 7D-2 0.00452 0.00425 -0.00084 0.02318 0.19839 62 8D 0 -0.00139 0.00049 -0.00064 -0.01087 -0.05432 63 8D+1 -0.00066 0.00003 0.00061 -0.00515 -0.03692 64 8D-1 -0.00151 -0.00108 0.00044 -0.00519 -0.03337 65 8D+2 -0.00193 -0.00082 -0.00037 -0.01306 -0.08677 66 8D-2 0.00202 0.00056 -0.00046 0.00616 0.06615 67 4 Cu 1S 0.00047 -0.00088 -0.00228 -0.00724 -0.00673 68 2S 0.00512 -0.01034 -0.00465 0.07477 -0.00973 69 3S 0.00572 -0.00317 -0.00754 -0.00733 -0.13337 70 4PX 0.00321 0.00025 -0.00030 -0.00696 -0.02296 71 4PY -0.00256 0.00099 0.00108 0.01845 0.00685 72 4PZ -0.00133 -0.00056 -0.00141 -0.01818 -0.03579 73 5PX -0.00681 0.00801 -0.00277 0.00510 -0.02170 74 5PY 0.00178 -0.00196 0.00365 -0.03200 0.03326 75 5PZ 0.00630 0.00222 -0.00330 0.02386 -0.02743 76 6PX 0.00164 0.00538 -0.00106 -0.00285 -0.02934 77 6PY 0.00764 0.00066 0.00165 -0.00649 -0.02899 78 6PZ -0.00251 -0.00432 0.00023 0.00252 0.00174 79 7D 0 -0.00151 -0.00392 -0.00233 -0.01814 -0.07771 80 7D+1 0.00570 0.00321 -0.00034 0.02708 0.16337 81 7D-1 -0.00648 0.00118 0.00043 -0.02159 -0.14888 82 7D+2 -0.00320 0.00002 -0.00113 -0.02539 -0.12047 83 7D-2 -0.00416 -0.00644 -0.00015 -0.04090 -0.29717 84 8D 0 -0.00002 -0.00118 -0.00094 -0.00638 -0.02578 85 8D+1 0.00110 0.00128 -0.00038 0.00874 0.05409 86 8D-1 -0.00189 -0.00092 0.00034 -0.00589 -0.04790 87 8D+2 -0.00152 0.00033 -0.00039 -0.00872 -0.04019 88 8D-2 -0.00186 -0.00239 0.00005 -0.01226 -0.09986 89 5 Cu 1S 0.00112 0.00060 -0.00268 -0.00657 -0.00569 90 2S 0.01289 -0.00189 -0.00356 0.13737 -0.01042 91 3S 0.04124 -0.02728 -0.00490 0.06814 -0.10013 92 4PX -0.00074 -0.00343 0.00085 0.01598 0.04969 93 4PY -0.00503 -0.00442 -0.00052 0.00462 0.01771 94 4PZ 0.00081 -0.00144 0.00068 0.01166 0.01801 95 5PX -0.02054 0.02601 0.00274 -0.02561 0.01693 96 5PY 0.01569 0.00386 0.00215 -0.01382 0.02141 97 5PZ -0.00595 0.00472 0.00121 -0.01250 0.02708 98 6PX -0.00124 -0.00420 0.00061 -0.00490 0.01071 99 6PY -0.00799 -0.00521 -0.00049 0.00887 -0.00366 100 6PZ 0.00202 0.00220 0.00139 -0.01211 0.02540 101 7D 0 0.00065 -0.00220 0.00012 -0.01314 -0.09830 102 7D+1 0.00256 0.00618 -0.00090 0.03463 0.22397 103 7D-1 0.00559 0.00334 0.00103 0.04028 0.20838 104 7D+2 0.00181 0.00890 -0.00201 -0.00476 -0.02815 105 7D-2 0.01255 0.00380 0.00179 0.04590 0.17141 106 8D 0 0.00057 -0.00138 0.00006 -0.00415 -0.03269 107 8D+1 0.00215 0.00140 0.00001 0.01243 0.07564 108 8D-1 0.00171 0.00104 0.00080 0.01327 0.07058 109 8D+2 -0.00027 0.00089 -0.00089 -0.00104 -0.00951 110 8D-2 0.00329 -0.00010 0.00093 0.01472 0.05728 111 6 Cu 1S -0.00028 0.00002 0.00118 0.00035 0.00062 112 2S -0.00810 0.00208 -0.00087 -0.07425 -0.01558 113 3S -0.05045 -0.00238 -0.00071 0.02422 0.04687 114 4PX 0.00054 -0.00579 0.00027 -0.00154 0.00146 115 4PY 0.00153 0.00025 -0.00253 0.00205 -0.02025 116 4PZ 0.00338 -0.00006 0.00054 0.00439 0.02202 117 5PX -0.00431 0.01566 -0.00010 0.00358 -0.00540 118 5PY 0.01128 0.00087 0.00070 -0.01427 0.02507 119 5PZ -0.01668 0.00160 0.00002 -0.00135 0.00435 120 6PX -0.00675 -0.01128 0.00128 0.01864 0.05526 121 6PY 0.02235 0.00786 -0.00442 -0.05873 -0.16720 122 6PZ 0.01557 0.00600 -0.00150 -0.02376 -0.09660 123 7D 0 0.00826 0.00315 0.00070 0.01623 0.04835 124 7D+1 -0.00130 -0.00525 -0.00005 -0.00834 0.00766 125 7D-1 -0.00078 0.00245 0.00161 0.01629 0.02314 126 7D+2 -0.00135 -0.00135 0.00210 0.00820 0.14802 127 7D-2 -0.00089 0.00468 0.00053 -0.00076 0.04838 128 8D 0 0.00150 0.00137 0.00007 0.00591 0.01747 129 8D+1 -0.00059 0.00055 0.00004 -0.00225 0.00321 130 8D-1 -0.00027 0.00077 0.00046 0.00572 0.00755 131 8D+2 -0.00010 -0.00018 0.00057 0.00590 0.05414 132 8D-2 0.00028 -0.00015 0.00015 0.00095 0.01799 133 7 Cu 1S 0.00139 0.00069 -0.00264 -0.00633 -0.00568 134 2S 0.01202 0.01497 -0.00346 0.13901 0.00057 135 3S 0.02102 0.05867 -0.00604 0.07951 -0.11171 136 4PX 0.00506 -0.00216 -0.00083 -0.01957 -0.05624 137 4PY -0.00559 -0.00115 -0.00065 -0.00116 -0.00476 138 4PZ -0.00023 -0.00127 0.00045 0.00552 -0.00246 139 5PX -0.00693 0.03083 -0.00360 0.03292 -0.03161 140 5PY 0.01555 0.01860 0.00089 -0.00250 0.01213 141 5PZ 0.00050 0.00830 0.00001 -0.00215 0.01675 142 6PX 0.00827 0.00063 -0.00078 0.00165 -0.01754 143 6PY -0.00781 -0.00176 -0.00095 0.01721 -0.01352 144 6PZ 0.00264 -0.00283 0.00068 -0.00464 0.01487 145 7D 0 -0.00330 0.00394 0.00036 -0.03357 -0.22278 146 7D+1 -0.00190 -0.00364 0.00010 -0.02218 -0.14707 147 7D-1 -0.00059 -0.00201 0.00028 0.01209 0.07752 148 7D+2 0.01459 0.00027 -0.00042 0.03972 0.17678 149 7D-2 -0.00507 -0.00836 -0.00280 -0.04182 -0.16732 150 8D 0 -0.00148 0.00156 -0.00009 -0.01150 -0.07502 151 8D+1 -0.00147 -0.00150 -0.00034 -0.00803 -0.05023 152 8D-1 0.00036 -0.00086 0.00027 0.00390 0.02638 153 8D+2 0.00225 0.00180 0.00009 0.01357 0.05960 154 8D-2 -0.00170 -0.00227 -0.00139 -0.01272 -0.05578 155 8 Cu 1S 0.00100 0.00028 -0.00139 -0.00077 0.00513 156 2S -0.01115 -0.01144 -0.00230 -0.06721 0.03042 157 3S 0.00083 -0.01748 -0.00496 0.05386 -0.03004 158 4PX 0.00283 -0.00455 -0.00025 -0.00006 -0.00442 159 4PY 0.00113 -0.00177 0.00099 0.00575 0.01992 160 4PZ -0.00204 -0.00120 -0.00009 -0.00550 0.01168 161 5PX -0.01301 0.01403 -0.00068 0.00473 0.00323 162 5PY 0.00803 0.01538 0.00215 -0.03400 -0.01510 163 5PZ 0.00337 0.00544 0.00025 0.00921 -0.00110 164 6PX 0.00469 -0.00962 0.00059 0.00500 0.01109 165 6PY -0.01032 -0.00554 0.00170 0.00729 0.05784 166 6PZ 0.01309 0.00643 -0.00317 -0.04467 -0.11105 167 7D 0 0.00015 -0.00042 0.00123 0.02704 -0.06570 168 7D+1 -0.00325 0.00261 -0.00017 -0.00355 0.01278 169 7D-1 0.00302 0.00321 0.00008 -0.01054 -0.04479 170 7D+2 -0.00170 -0.00801 0.00114 0.01895 -0.08653 171 7D-2 -0.00686 0.00389 0.00070 0.01154 -0.03212 172 8D 0 -0.00166 -0.00125 0.00060 0.00849 -0.02041 173 8D+1 -0.00045 0.00028 -0.00005 -0.00030 0.00452 174 8D-1 0.00103 0.00050 0.00008 -0.00429 -0.01450 175 8D+2 -0.00236 -0.00175 0.00065 0.00774 -0.02583 176 8D-2 -0.00136 -0.00120 0.00042 0.00500 -0.00924 177 9 C 1S -0.00415 -0.00221 0.00839 -0.04491 0.13121 178 2S 0.01174 0.00611 -0.01502 0.09958 -0.28294 179 3S -0.00881 -0.00431 -0.00144 0.12275 -0.23873 180 4PX -0.00260 0.00096 0.00205 -0.03268 0.04826 181 4PY 0.00613 0.00285 -0.00825 0.12075 -0.18717 182 4PZ 0.00138 0.00259 -0.00326 0.05725 -0.08586 183 5PX 0.00093 0.00313 -0.00341 -0.00398 -0.00360 184 5PY -0.00654 -0.00233 0.01191 0.00881 -0.00115 185 5PZ -0.00363 -0.00169 0.00703 0.01313 0.01893 186 10 O 1S -0.00061 -0.00041 -0.00264 0.00342 0.01310 187 2S 0.00081 0.00060 0.00594 -0.00991 -0.01453 188 3S 0.00032 0.00047 0.01552 0.00434 0.01087 189 4PX 0.00055 -0.00058 -0.00008 0.01418 -0.00297 190 4PY -0.00027 0.00049 0.00005 -0.05086 0.01482 191 4PZ 0.00073 -0.00110 0.00023 -0.02473 0.01995 192 5PX 0.00044 -0.00152 0.00052 0.00252 -0.00006 193 5PY 0.00084 0.00034 -0.00174 -0.00510 0.00612 194 5PZ 0.00105 -0.00032 -0.00125 -0.00727 0.00337 26 27 28 29 30 26 4PX 2.00094 27 4PY -0.00319 2.01109 28 4PZ -0.00080 0.00643 1.99857 29 5PX 0.01952 0.00503 0.00426 0.16300 30 5PY 0.00792 0.00618 -0.02553 -0.01930 0.23150 31 5PZ 0.00188 -0.01144 0.02201 0.00842 0.02858 32 6PX -0.02061 -0.00228 0.00119 -0.02831 -0.01533 33 6PY -0.00234 -0.00363 -0.00258 -0.01405 0.03925 34 6PZ -0.00127 0.00348 -0.01563 -0.00852 0.00540 35 7D 0 -0.00094 0.00302 0.00602 -0.00902 0.00384 36 7D+1 0.00097 0.00572 0.00039 -0.02101 -0.01485 37 7D-1 0.00514 -0.01624 0.00197 -0.01426 0.02651 38 7D+2 -0.00917 0.01442 0.01081 0.05175 -0.00262 39 7D-2 0.00748 0.01070 0.00575 -0.08776 -0.02701 40 8D 0 -0.00059 0.00134 0.00137 -0.00255 -0.00204 41 8D+1 -0.00058 0.00130 0.00000 -0.00837 -0.00412 42 8D-1 0.00127 -0.00490 0.00043 -0.00496 0.00734 43 8D+2 -0.00221 0.00397 0.00291 0.01778 -0.00255 44 8D-2 0.00165 0.00289 0.00148 -0.02925 -0.00936 45 3 Cu 1S -0.00169 -0.00253 0.00122 -0.00247 -0.00345 46 2S -0.02551 -0.03730 0.01507 0.07581 0.03833 47 3S -0.01640 -0.01211 0.02776 -0.02092 -0.06389 48 4PX 0.00249 -0.00174 0.00194 -0.00485 0.01324 49 4PY 0.00076 -0.00056 -0.00226 0.00503 0.00003 50 4PZ 0.00181 0.00263 0.00358 -0.01066 -0.01954 51 5PX -0.00468 0.00425 -0.00672 0.01854 0.00828 52 5PY 0.00636 0.00907 -0.00414 0.00125 0.01466 53 5PZ -0.00457 -0.00629 -0.00736 0.00562 -0.00483 54 6PX 0.00210 -0.00163 0.00514 0.01161 0.01678 55 6PY -0.00784 0.00012 -0.00210 0.00041 -0.00593 56 6PZ 0.00403 -0.00254 0.00922 -0.01618 0.01099 57 7D 0 0.00618 0.00784 -0.00510 -0.05259 -0.08113 58 7D+1 0.00256 0.00928 -0.00242 -0.01570 -0.02262 59 7D-1 0.01080 0.01202 0.00102 -0.02558 -0.12077 60 7D+2 0.01001 0.01178 -0.00829 -0.05176 -0.10364 61 7D-2 -0.00288 -0.01723 0.01483 0.01278 0.13135 62 8D 0 0.00203 0.00238 -0.00215 -0.01799 -0.02680 63 8D+1 0.00032 0.00264 -0.00029 -0.00589 -0.00774 64 8D-1 0.00315 0.00277 0.00200 -0.00935 -0.04017 65 8D+2 0.00339 0.00273 -0.00264 -0.01571 -0.03361 66 8D-2 0.00081 -0.00397 0.00423 0.00460 0.04264 67 4 Cu 1S 0.00193 -0.00191 0.00187 0.00263 -0.00209 68 2S 0.03062 -0.02738 0.02527 -0.06342 0.01627 69 3S 0.00888 -0.00941 0.03072 0.04607 -0.04930 70 4PX 0.00305 0.00188 -0.00101 -0.00805 -0.00733 71 4PY 0.00138 0.00014 -0.00266 -0.00520 -0.00453 72 4PZ -0.00267 0.00245 0.00219 0.01666 -0.01771 73 5PX -0.00453 -0.00599 0.00810 0.02452 -0.00429 74 5PY -0.00930 0.00432 -0.00447 0.00578 0.01245 75 5PZ 0.00644 -0.00641 -0.00273 -0.00015 -0.00697 76 6PX 0.00148 0.00404 -0.00462 0.01007 -0.01261 77 6PY 0.00814 0.00293 -0.00106 0.01231 -0.00674 78 6PZ -0.00512 -0.00312 0.00436 0.01199 0.00517 79 7D 0 -0.00193 -0.00044 -0.00415 0.05014 -0.02658 80 7D+1 0.00877 -0.01154 0.00726 -0.06062 0.07373 81 7D-1 -0.01291 0.00979 -0.00786 0.06970 -0.13355 82 7D+2 -0.00950 -0.00031 -0.00078 0.03810 -0.00910 83 7D-2 -0.00529 0.01586 -0.01863 0.05498 -0.11051 84 8D 0 -0.00075 -0.00014 -0.00232 0.01666 -0.00846 85 8D+1 0.00217 -0.00333 0.00139 -0.02131 0.02422 86 8D-1 -0.00363 0.00186 -0.00081 0.02301 -0.04383 87 8D+2 -0.00391 -0.00052 -0.00053 0.01175 -0.00345 88 8D-2 -0.00019 0.00407 -0.00555 0.01712 -0.03585 89 5 Cu 1S -0.00301 -0.00198 -0.00171 -0.00093 -0.00176 90 2S -0.03537 -0.03416 -0.03002 0.10197 0.05438 91 3S -0.03049 -0.00303 -0.02125 -0.00399 -0.03630 92 4PX 0.00143 -0.00221 -0.00104 -0.00052 0.01332 93 4PY 0.00222 0.00126 0.00123 -0.00637 -0.01235 94 4PZ -0.00097 -0.00185 0.00102 0.01079 0.00715 95 5PX -0.00127 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115 4PY 0.00077 -0.00306 0.00178 0.00203 -0.01135 116 4PZ 0.00030 -0.00161 0.00292 -0.00306 0.01492 117 5PX -0.00699 -0.00307 0.00074 0.02145 0.00469 118 5PY -0.00163 0.00315 -0.00202 0.00006 0.01243 119 5PZ -0.00063 0.00500 -0.00891 0.00056 -0.01160 120 6PX 0.00328 -0.00469 0.00257 -0.00715 0.03158 121 6PY -0.00156 0.01166 -0.00103 0.02197 -0.08846 122 6PZ 0.00019 0.01042 -0.00825 0.01522 -0.05606 123 7D 0 -0.00003 -0.00405 0.00463 -0.02129 0.08933 124 7D+1 0.00009 0.00212 -0.00097 -0.00556 -0.03578 125 7D-1 -0.00046 -0.00113 -0.00535 -0.00359 0.03335 126 7D+2 0.00317 0.00138 -0.00123 -0.01708 0.03496 127 7D-2 -0.00790 -0.00070 -0.00121 0.03745 0.01188 128 8D 0 0.00017 -0.00183 0.00169 -0.00755 0.03116 129 8D+1 0.00032 0.00077 -0.00028 -0.00229 -0.01179 130 8D-1 0.00000 -0.00059 -0.00208 -0.00152 0.01162 131 8D+2 0.00127 -0.00051 -0.00042 -0.00594 0.01484 132 8D-2 -0.00279 -0.00059 -0.00039 0.01182 0.00495 133 7 Cu 1S 0.00385 -0.00081 -0.00042 0.00140 -0.00072 134 2S 0.05268 -0.01884 -0.01356 -0.13217 0.01739 135 3S 0.03595 0.00504 -0.01276 0.01147 -0.03014 136 4PX 0.00069 0.00256 0.00056 0.00703 -0.00882 137 4PY -0.00259 0.00119 0.00071 0.01399 -0.01155 138 4PZ 0.00138 -0.00059 0.00180 -0.00824 0.00010 139 5PX 0.00551 -0.00349 -0.00268 0.01800 -0.00056 140 5PY -0.00238 -0.00225 -0.00317 -0.01379 0.00534 141 5PZ -0.00617 0.00047 -0.00786 0.00587 0.00191 142 6PX -0.00491 0.00069 0.00227 0.01009 -0.00894 143 6PY 0.01051 0.00239 -0.00686 0.01784 0.00296 144 6PZ 0.00226 -0.00061 0.00779 0.00356 0.00211 145 7D 0 -0.01562 0.00210 0.00996 0.09546 -0.02335 146 7D+1 -0.01585 0.00544 -0.00958 0.09940 -0.05447 147 7D-1 0.00785 -0.00091 0.00573 -0.05921 0.00277 148 7D+2 0.02353 -0.00924 -0.00743 -0.10540 0.11517 149 7D-2 -0.02134 -0.00581 0.00794 0.14889 -0.00014 150 8D 0 -0.00308 0.00018 0.00292 0.03233 -0.00825 151 8D+1 -0.00395 0.00184 -0.00485 0.03472 -0.01906 152 8D-1 0.00243 -0.00005 0.00257 -0.01948 0.00120 153 8D+2 0.00386 -0.00338 -0.00142 -0.03740 0.03848 154 8D-2 -0.00548 -0.00290 0.00198 0.04709 0.00012 155 8 Cu 1S 0.00014 -0.00130 -0.00019 -0.00190 0.00749 156 2S -0.00118 0.01501 -0.00963 -0.00653 -0.00954 157 3S 0.00772 -0.02661 -0.02614 -0.01091 0.04431 158 4PX 0.00096 0.00025 0.00032 -0.00205 0.00062 159 4PY 0.00067 -0.00090 -0.00133 0.00093 -0.00855 160 4PZ -0.00006 0.00061 0.00089 -0.00077 0.00291 161 5PX -0.00127 -0.00433 -0.00172 0.00734 0.00796 162 5PY -0.00426 0.01487 0.00815 0.00829 -0.02042 163 5PZ 0.00001 0.00169 -0.00209 0.00135 -0.00753 164 6PX -0.00475 -0.00187 -0.00018 -0.01293 0.00302 165 6PY -0.00092 -0.00234 0.00272 -0.01036 0.02686 166 6PZ -0.00234 0.01191 -0.00416 0.01312 -0.06381 167 7D 0 0.00039 -0.00336 -0.00516 0.01253 -0.03137 168 7D+1 -0.00276 -0.00059 0.00053 0.01900 -0.00330 169 7D-1 -0.00190 0.00286 -0.00031 0.01130 -0.02198 170 7D+2 0.00320 -0.00257 -0.00278 0.01390 -0.08463 171 7D-2 -0.00264 -0.00264 -0.00212 0.01965 -0.04689 172 8D 0 -0.00015 -0.00010 -0.00152 0.00402 -0.00990 173 8D+1 -0.00097 -0.00027 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5PY 0.00346 -0.00609 -0.00396 -0.01052 0.01356 194 5PZ 0.00194 -0.00445 0.00383 -0.00432 0.00731 31 32 33 34 35 31 5PZ 0.09030 32 6PX -0.00786 0.05591 33 6PY 0.00656 0.00135 0.02943 34 6PZ -0.00414 -0.00065 0.01708 0.04986 35 7D 0 -0.00088 0.00085 -0.00528 0.05329 1.51002 36 7D+1 -0.00018 0.04510 -0.00014 -0.01046 0.00136 37 7D-1 -0.08067 0.01539 0.02169 -0.00087 -0.02421 38 7D+2 -0.04742 -0.01128 -0.02978 -0.02225 -0.02328 39 7D-2 -0.02262 0.05887 -0.00418 0.00418 -0.01357 40 8D 0 -0.00178 0.00079 -0.00219 0.01663 0.47416 41 8D+1 -0.00002 0.01522 0.00010 -0.00377 0.00018 42 8D-1 -0.02561 0.00472 0.00728 0.00230 -0.00291 43 8D+2 -0.01547 -0.00360 -0.01015 -0.00856 -0.00109 44 8D-2 -0.00772 0.02037 -0.00135 0.00062 -0.00017 45 3 Cu 1S 0.00190 0.00142 -0.00069 0.00086 0.00019 46 2S -0.05603 -0.01907 -0.00205 0.02980 -0.01728 47 3S -0.01576 0.03838 -0.01425 0.02304 -0.04096 48 4PX -0.01017 0.00827 0.00102 0.00329 -0.00045 49 4PY -0.00505 -0.00450 0.00350 0.00525 -0.00047 50 4PZ -0.00844 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2S 0.07180 -0.03273 0.00408 -0.00461 0.00512 91 3S 0.00879 -0.00449 -0.00157 -0.01810 -0.02508 92 4PX 0.01240 -0.00354 0.00277 -0.00072 0.00382 93 4PY -0.00487 0.02021 0.01434 -0.00878 0.00284 94 4PZ -0.00354 0.00461 0.00317 0.01079 -0.01092 95 5PX -0.00192 -0.00340 -0.00168 0.00353 -0.01409 96 5PY 0.00812 -0.00482 0.00444 -0.00442 -0.00077 97 5PZ 0.01327 -0.00090 0.00129 0.00291 0.04175 98 6PX 0.00685 -0.00395 -0.00189 -0.00262 0.00992 99 6PY 0.00053 0.02053 -0.00429 0.00469 0.03685 100 6PZ 0.00104 0.01029 0.00363 -0.00134 -0.01622 101 7D 0 -0.04663 -0.01480 -0.01167 -0.01771 0.02366 102 7D+1 0.03801 0.02002 0.00953 -0.02255 0.02007 103 7D-1 0.00958 -0.02842 0.02073 -0.00308 0.00617 104 7D+2 -0.00968 -0.03151 -0.01294 -0.02626 -0.00532 105 7D-2 0.12619 -0.03076 -0.01310 0.00599 -0.01640 106 8D 0 -0.01523 -0.00509 -0.00385 -0.00612 0.00242 107 8D+1 0.01365 0.00629 0.00356 -0.00797 0.00308 108 8D-1 0.00344 -0.00976 0.00701 -0.00099 -0.00260 109 8D+2 -0.00208 -0.01093 -0.00421 -0.00867 -0.00107 110 8D-2 0.04167 -0.01048 -0.00431 0.00249 -0.00120 111 6 Cu 1S 0.00014 0.00041 0.00008 0.00142 0.00120 112 2S -0.04711 -0.00030 -0.00259 -0.00463 -0.00186 113 3S -0.00567 -0.00622 0.01305 0.01938 0.08900 114 4PX 0.00184 0.02255 0.00369 0.00146 0.00052 115 4PY -0.00848 0.00242 -0.00257 0.00101 -0.00280 116 4PZ -0.00712 0.00331 0.00169 0.01415 -0.00161 117 5PX -0.00481 -0.00412 -0.00011 0.00327 0.00006 118 5PY 0.01272 0.00529 -0.00387 -0.01444 -0.01573 119 5PZ 0.03157 -0.00009 0.00122 -0.00491 0.01479 120 6PX 0.00618 -0.01074 0.00802 0.00656 -0.01139 121 6PY -0.01452 0.00586 -0.02356 -0.01236 0.02224 122 6PZ -0.01473 0.00625 -0.01986 -0.02190 0.03352 123 7D 0 -0.00042 0.00589 -0.00558 -0.02797 -0.01055 124 7D+1 -0.00783 0.00119 0.00175 0.01051 0.00423 125 7D-1 0.01428 -0.01663 0.02002 -0.01924 -0.00775 126 7D+2 -0.00816 0.01702 0.02297 -0.01889 -0.00120 127 7D-2 0.00144 -0.06470 -0.00593 -0.01706 0.00157 128 8D 0 0.00003 0.00218 -0.00171 -0.00975 -0.00430 129 8D+1 -0.00269 0.00092 0.00073 0.00380 0.00171 130 8D-1 0.00469 -0.00514 0.00675 -0.00659 -0.00280 131 8D+2 -0.00277 0.00530 0.00803 -0.00670 -0.00145 132 8D-2 0.00035 -0.02143 -0.00181 -0.00570 0.00018 133 7 Cu 1S 0.00046 -0.00136 -0.00043 -0.00236 0.00038 134 2S 0.02920 0.01644 0.01482 0.00815 -0.02212 135 3S 0.01330 0.00667 0.00283 -0.01821 -0.10410 136 4PX -0.00659 0.00982 -0.00586 0.00264 0.00983 137 4PY -0.00453 -0.01955 0.00605 -0.01832 -0.00275 138 4PZ -0.01076 -0.00853 -0.00090 0.00749 -0.00836 139 5PX 0.00078 -0.00476 -0.00148 -0.00450 -0.03802 140 5PY 0.00356 -0.00016 0.00542 -0.00497 0.01430 141 5PZ 0.01558 -0.00257 0.00069 0.00086 0.04111 142 6PX -0.00515 0.00442 0.00299 0.00339 -0.01946 143 6PY 0.00646 -0.01912 -0.01029 -0.00335 0.01276 144 6PZ 0.00239 -0.00777 0.00186 -0.00565 -0.01503 145 7D 0 -0.02678 0.01998 -0.01099 0.00423 -0.01220 146 7D+1 0.04867 -0.00938 -0.01089 0.01698 -0.02252 147 7D-1 -0.06261 0.03509 0.02560 0.01843 -0.00114 148 7D+2 0.05391 0.03896 0.00309 -0.01093 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0.04353 0.02796 0.00956 0.01049 -0.00210 91 3S 0.17478 0.07053 0.08607 0.06860 -0.00913 92 4PX 0.01098 0.01568 -0.00761 0.01028 0.00128 93 4PY 0.01649 0.00006 0.01416 0.00579 0.00107 94 4PZ 0.00475 0.00479 0.00621 0.01427 -0.00373 95 5PX -0.04506 -0.04200 0.00151 -0.04512 -0.00396 96 5PY -0.04943 -0.00163 -0.04286 -0.01186 -0.00005 97 5PZ -0.03281 -0.03113 -0.03391 -0.03634 0.01294 98 6PX -0.02488 -0.00050 -0.01998 0.00222 0.00317 99 6PY 0.02639 0.01720 -0.00702 0.03390 0.01262 100 6PZ 0.00045 0.00121 -0.00571 0.01403 -0.00551 101 7D 0 0.02331 0.01585 -0.01292 -0.02589 0.00164 102 7D+1 -0.01036 -0.00912 0.01343 -0.02002 0.00105 103 7D-1 -0.01198 0.00435 -0.03731 -0.00506 -0.00469 104 7D+2 0.01581 -0.03606 0.04177 -0.00565 0.00009 105 7D-2 -0.02475 0.00251 -0.02054 -0.00693 -0.00060 106 8D 0 0.00571 0.00528 -0.00343 -0.00510 -0.00120 107 8D+1 -0.00310 -0.00215 0.00300 -0.00571 -0.00087 108 8D-1 -0.00535 -0.00005 -0.00872 -0.00250 -0.00306 109 8D+2 0.00284 -0.00820 0.00957 0.00059 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0.00058 160 4PZ -0.00389 0.00173 -0.00313 -0.00006 -0.00071 161 5PX 0.00321 0.00136 -0.00047 -0.00981 0.00734 162 5PY -0.00236 -0.00361 0.00356 -0.00103 -0.00838 163 5PZ 0.00145 -0.00192 0.00254 0.02645 -0.00521 164 6PX 0.00583 0.01918 -0.01174 -0.00474 0.00275 165 6PY 0.00545 -0.00998 -0.03541 -0.00409 -0.00413 166 6PZ -0.00872 0.02551 0.03388 0.01559 0.00066 167 7D 0 -0.01537 0.00192 0.00255 0.00674 0.00243 168 7D+1 -0.05744 -0.00293 -0.00760 0.00607 -0.00756 169 7D-1 -0.01488 0.00113 0.00990 -0.00555 -0.00827 170 7D+2 0.01875 -0.00062 0.00022 0.00217 0.00519 171 7D-2 0.05426 0.00665 -0.00633 0.00893 0.00330 172 8D 0 -0.00483 -0.00005 0.00085 0.00095 0.00013 173 8D+1 -0.01964 -0.00110 -0.00286 0.00376 -0.00326 174 8D-1 -0.00514 0.00022 0.00485 -0.00284 -0.00274 175 8D+2 0.00645 -0.00094 0.00120 -0.00065 0.00149 176 8D-2 0.01792 0.00218 -0.00292 0.00422 0.00057 177 9 C 1S 0.00405 -0.00492 0.00106 0.00108 -0.00749 178 2S -0.00879 0.01203 -0.00383 0.00269 0.01468 179 3S -0.00758 0.01959 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-0.00556 -0.00284 187 2S -0.16096 -0.06934 -0.00040 0.00093 0.00150 188 3S 0.02663 0.01062 0.00472 -0.01979 -0.00602 189 4PX 0.21835 0.09250 0.05781 -0.00247 -0.00136 190 4PY -0.37635 -0.36500 -0.00212 0.06940 -0.00085 191 4PZ -0.36620 0.31754 -0.00148 0.00062 0.06277 192 5PX 0.05201 0.02193 0.01649 0.00182 0.00058 193 5PY -0.03304 -0.08830 0.00183 0.01107 -0.00418 194 5PZ -0.08778 0.13298 0.00074 -0.00456 0.01646 186 187 188 189 190 186 10 O 1S 2.11861 187 2S -0.25925 0.60498 188 3S -0.24790 0.52240 0.54074 189 4PX -0.00910 0.01597 0.07471 0.84471 190 4PY 0.03517 -0.06153 -0.28953 -0.00245 0.85090 191 4PZ 0.01505 -0.02617 -0.12470 0.00017 0.00758 192 5PX -0.00797 0.01916 0.02656 0.32287 0.03597 193 5PY 0.03097 -0.07426 -0.10299 0.03595 0.19115 194 5PZ 0.01312 -0.03152 -0.04437 0.01607 -0.05752 191 192 193 194 191 4PZ 0.83892 192 5PX 0.01628 0.12858 193 5PY -0.05847 0.01945 0.05733 194 5PZ 0.30247 0.00876 -0.03156 0.11771 Full Mulliken population analysis: 1 2 3 4 5 1 1 Cu 1S 2.00437 2 2S -0.00231 0.30157 3 3S 0.01157 -0.13100 1.17144 4 4PX 0.00000 0.00000 0.00000 1.99871 5 4PY 0.00000 0.00000 0.00000 0.00000 2.00334 6 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 7 5PX 0.00000 0.00000 0.00000 0.00299 0.00000 8 5PY 0.00000 0.00000 0.00000 0.00000 0.00242 9 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 6PX 0.00000 0.00000 0.00000 -0.00132 0.00000 11 6PY 0.00000 0.00000 0.00000 0.00000 -0.00011 12 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 14 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 15 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 16 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 17 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 18 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 19 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 2 Cu 1S 0.00000 -0.00030 -0.00052 0.00000 0.00000 24 2S -0.00037 0.02344 -0.09617 -0.00006 -0.00093 25 3S -0.00027 0.00558 -0.20852 -0.00006 -0.00068 26 4PX 0.00000 -0.00006 0.00006 0.00000 0.00000 27 4PY 0.00000 -0.00080 0.00060 0.00000 0.00000 28 4PZ 0.00000 -0.00024 0.00032 0.00000 0.00000 29 5PX -0.00002 0.00146 -0.00590 -0.00035 -0.00025 30 5PY -0.00042 0.01447 -0.09804 -0.00028 -0.00178 31 5PZ -0.00005 0.00903 -0.01308 -0.00005 -0.00051 32 6PX -0.00006 0.00097 -0.00488 0.00035 0.00001 33 6PY -0.00011 0.00445 -0.03085 0.00001 0.00001 34 6PZ -0.00012 -0.00153 -0.00341 0.00000 -0.00002 35 7D 0 0.00000 0.00000 0.00006 0.00000 0.00000 36 7D+1 0.00000 0.00004 0.00000 0.00000 0.00000 37 7D-1 0.00000 0.00036 0.00016 0.00000 0.00000 38 7D+2 0.00000 0.00045 0.00005 0.00000 0.00000 39 7D-2 0.00000 0.00013 0.00003 0.00000 0.00000 40 8D 0 0.00000 0.00013 0.00022 0.00000 0.00000 41 8D+1 0.00000 0.00014 0.00001 0.00000 -0.00001 42 8D-1 0.00001 0.00144 0.00077 -0.00001 -0.00009 43 8D+2 0.00000 0.00188 0.00023 -0.00003 -0.00008 44 8D-2 0.00000 0.00055 0.00016 -0.00001 -0.00004 45 3 Cu 1S 0.00000 -0.00041 0.00060 0.00000 0.00000 46 2S -0.00039 0.00775 -0.06921 -0.00062 0.00000 47 3S -0.00066 -0.00898 -0.02809 -0.00007 0.00000 48 4PX 0.00000 -0.00017 -0.00046 0.00000 0.00000 49 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 50 4PZ 0.00000 -0.00052 -0.00017 0.00000 0.00000 51 5PX -0.00033 0.00222 -0.00827 0.00004 0.00000 52 5PY 0.00000 0.00004 -0.00017 0.00000 -0.00019 53 5PZ -0.00044 0.01647 -0.01785 -0.00036 -0.00001 54 6PX -0.00011 0.00410 -0.00756 0.00003 0.00000 55 6PY 0.00001 -0.00010 0.00039 0.00000 0.00006 56 6PZ -0.00007 0.00099 -0.01602 0.00013 0.00000 57 7D 0 0.00000 0.00007 0.00017 0.00000 0.00000 58 7D+1 0.00000 0.00041 0.00082 0.00000 0.00000 59 7D-1 0.00000 0.00001 0.00001 0.00000 0.00000 60 7D+2 0.00000 0.00007 0.00014 0.00000 0.00000 61 7D-2 0.00000 0.00000 0.00002 0.00000 0.00000 62 8D 0 0.00000 0.00030 0.00083 -0.00005 0.00000 63 8D+1 0.00000 0.00175 0.00411 -0.00006 0.00000 64 8D-1 0.00000 0.00005 0.00006 0.00000 -0.00001 65 8D+2 0.00000 0.00028 0.00068 0.00000 0.00000 66 8D-2 0.00000 0.00001 0.00008 0.00000 0.00000 67 4 Cu 1S 0.00000 -0.00040 0.00057 0.00000 0.00000 68 2S -0.00039 0.00708 -0.06769 -0.00013 -0.00008 69 3S -0.00075 -0.00948 -0.02952 0.00000 0.00001 70 4PX 0.00000 -0.00001 -0.00015 0.00000 0.00000 71 4PY 0.00000 0.00001 -0.00004 0.00000 0.00000 72 4PZ 0.00000 -0.00066 -0.00038 0.00000 0.00000 73 5PX -0.00008 -0.00140 -0.00044 -0.00012 0.00001 74 5PY -0.00004 0.00016 -0.00175 0.00000 -0.00017 75 5PZ -0.00069 0.01914 -0.02404 -0.00010 -0.00008 76 6PX -0.00004 0.00068 0.00029 0.00015 0.00000 77 6PY 0.00003 0.00044 -0.00001 0.00000 0.00006 78 6PZ -0.00014 0.00337 -0.02161 0.00005 0.00002 79 7D 0 0.00000 0.00031 0.00073 0.00000 0.00000 80 7D+1 0.00000 0.00011 0.00019 0.00000 0.00000 81 7D-1 0.00000 0.00012 0.00021 0.00000 0.00000 82 7D+2 0.00000 0.00000 -0.00001 0.00000 0.00000 83 7D-2 0.00000 0.00000 0.00003 0.00000 0.00000 84 8D 0 0.00000 0.00135 0.00361 -0.00003 -0.00002 85 8D+1 0.00000 0.00043 0.00100 0.00000 0.00000 86 8D-1 0.00000 0.00052 0.00102 -0.00001 0.00000 87 8D+2 0.00000 0.00000 -0.00003 0.00000 0.00000 88 8D-2 0.00000 0.00001 0.00015 0.00000 0.00000 89 5 Cu 1S 0.00000 -0.00026 -0.00016 0.00000 0.00000 90 2S -0.00022 0.03900 -0.08995 -0.00132 -0.00029 91 3S -0.00076 0.03248 -0.13053 -0.00033 -0.00006 92 4PX 0.00000 -0.00053 -0.00168 0.00000 0.00000 93 4PY 0.00000 -0.00002 -0.00028 0.00000 0.00000 94 4PZ 0.00000 -0.00003 0.00005 0.00000 0.00000 95 5PX -0.00039 0.01816 -0.02745 0.00000 -0.00009 96 5PY -0.00008 0.00287 -0.00658 -0.00015 -0.00006 97 5PZ 0.00000 -0.00068 -0.00105 -0.00003 0.00000 98 6PX -0.00016 -0.00432 -0.01974 -0.00001 0.00002 99 6PY 0.00001 -0.00158 -0.00201 0.00007 0.00004 100 6PZ -0.00008 0.00165 -0.00365 -0.00002 0.00000 101 7D 0 0.00000 0.00020 0.00024 0.00000 0.00000 102 7D+1 0.00000 0.00001 0.00002 0.00000 0.00000 103 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D+2 0.00000 0.00027 0.00022 0.00000 0.00000 105 7D-2 0.00000 0.00042 0.00058 0.00000 0.00000 106 8D 0 0.00002 0.00082 0.00119 -0.00007 -0.00001 107 8D+1 0.00000 0.00007 0.00006 -0.00001 0.00000 108 8D-1 0.00000 0.00001 -0.00002 -0.00001 0.00000 109 8D+2 0.00002 0.00111 0.00106 -0.00004 -0.00008 110 8D-2 0.00003 0.00168 0.00283 -0.00017 0.00001 111 6 Cu 1S 0.00000 -0.00033 0.00044 0.00000 0.00000 112 2S -0.00032 0.02259 -0.04632 0.00000 -0.00103 113 3S -0.00039 0.00307 -0.06742 0.00000 0.00004 114 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 115 4PY 0.00000 -0.00018 -0.00074 0.00000 0.00000 116 4PZ 0.00000 -0.00054 -0.00044 0.00000 0.00000 117 5PX 0.00000 -0.00005 0.00002 -0.00019 0.00000 118 5PY -0.00027 0.00188 -0.00626 0.00000 0.00011 119 5PZ -0.00020 0.01829 -0.01359 0.00000 -0.00026 120 6PX 0.00000 0.00008 -0.00029 0.00005 0.00000 121 6PY -0.00047 0.01040 -0.05967 0.00000 -0.00007 122 6PZ 0.00028 -0.01071 0.02622 0.00000 0.00007 123 7D 0 0.00000 0.00003 -0.00003 0.00000 0.00000 124 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 125 7D-1 0.00000 0.00067 0.00089 0.00000 0.00000 126 7D+2 0.00000 0.00014 0.00031 0.00000 0.00000 127 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 128 8D 0 0.00000 0.00013 -0.00018 0.00000 -0.00005 129 8D+1 0.00000 0.00000 0.00001 -0.00003 0.00000 130 8D-1 0.00002 0.00275 0.00441 0.00000 -0.00014 131 8D+2 0.00001 0.00059 0.00157 0.00000 0.00000 132 8D-2 0.00000 0.00000 0.00001 -0.00002 0.00000 133 7 Cu 1S 0.00000 -0.00025 -0.00013 0.00000 0.00000 134 2S -0.00024 0.03809 -0.08653 -0.00081 -0.00081 135 3S -0.00096 0.03459 -0.13736 -0.00017 -0.00017 136 4PX 0.00000 -0.00040 -0.00093 0.00000 0.00000 137 4PY 0.00000 -0.00018 -0.00079 0.00000 0.00000 138 4PZ 0.00000 0.00000 -0.00013 0.00000 0.00000 139 5PX -0.00027 0.00978 -0.01590 0.00006 -0.00014 140 5PY -0.00028 0.00935 -0.01853 -0.00017 0.00003 141 5PZ -0.00002 0.00171 -0.00055 0.00001 0.00000 142 6PX -0.00020 -0.00042 -0.01534 0.00001 0.00001 143 6PY -0.00015 -0.00083 -0.01742 0.00010 -0.00002 144 6PZ 0.00005 -0.00133 0.00111 0.00002 0.00002 145 7D 0 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0.00001 165 6PY -0.00004 -0.00816 -0.00734 0.00001 0.00000 166 6PZ -0.00020 0.00433 -0.01614 0.00000 0.00003 167 7D 0 0.00000 0.00027 0.00009 0.00000 0.00000 168 7D+1 0.00000 0.00000 0.00002 0.00000 0.00000 169 7D-1 0.00000 0.00013 0.00007 0.00000 0.00000 170 7D+2 0.00000 0.00052 0.00042 0.00000 0.00000 171 7D-2 0.00000 0.00021 0.00015 0.00000 0.00000 172 8D 0 0.00002 0.00098 0.00049 -0.00001 -0.00008 173 8D+1 0.00000 0.00003 0.00008 0.00000 -0.00001 174 8D-1 0.00000 0.00054 0.00033 -0.00001 -0.00007 175 8D+2 0.00006 0.00214 0.00209 -0.00008 -0.00012 176 8D-2 0.00002 0.00087 0.00076 -0.00001 -0.00011 177 9 C 1S 0.00000 0.00000 -0.00013 0.00000 0.00000 178 2S 0.00000 -0.00004 0.00232 0.00000 0.00000 179 3S 0.00000 -0.00060 0.00900 0.00000 0.00000 180 4PX 0.00000 -0.00001 0.00030 0.00000 0.00000 181 4PY 0.00000 -0.00013 0.00446 0.00000 0.00000 182 4PZ 0.00000 0.00001 0.00092 0.00000 0.00000 183 5PX 0.00000 -0.00005 -0.00008 0.00000 0.00000 184 5PY 0.00000 -0.00114 -0.00016 0.00000 0.00000 185 5PZ 0.00000 0.00008 -0.00091 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 -0.00001 0.00000 0.00000 187 2S 0.00000 0.00000 0.00008 0.00000 0.00000 188 3S 0.00000 0.00000 0.00067 0.00000 0.00000 189 4PX 0.00000 0.00000 -0.00003 0.00000 0.00000 190 4PY 0.00000 0.00000 -0.00048 0.00000 0.00000 191 4PZ 0.00000 0.00000 -0.00003 0.00000 0.00000 192 5PX 0.00000 0.00000 -0.00004 0.00000 0.00000 193 5PY 0.00000 0.00001 -0.00086 0.00000 0.00000 194 5PZ 0.00000 0.00000 0.00006 0.00000 0.00000 6 7 8 9 10 6 4PZ 1.99684 7 5PX 0.00000 0.12705 8 5PY 0.00000 0.00000 0.18754 9 5PZ 0.00544 0.00000 0.00000 0.10442 10 6PX 0.00000 0.03572 0.00000 0.00000 0.43796 11 6PY 0.00000 0.00000 0.01069 0.00000 0.00000 12 6PZ -0.00031 0.00000 0.00000 0.01046 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 -0.00008 -0.00116 -0.00017 -0.00012 24 2S -0.00009 0.00157 0.02674 -0.00099 -0.00018 25 3S -0.00022 -0.00209 -0.02479 -0.00646 -0.01577 26 4PX 0.00000 -0.00023 -0.00015 -0.00002 0.00051 27 4PY 0.00000 -0.00020 -0.00134 -0.00033 0.00001 28 4PZ 0.00000 -0.00002 -0.00018 -0.00010 -0.00001 29 5PX -0.00006 0.00858 0.00041 -0.00038 0.03205 30 5PY -0.00082 -0.00027 -0.00262 -0.00639 -0.00154 31 5PZ -0.00004 -0.00010 0.00047 0.00919 0.00044 32 6PX 0.00000 -0.00289 0.00082 0.00003 -0.04426 33 6PY -0.00003 -0.00004 -0.00075 -0.00078 -0.00212 34 6PZ 0.00014 0.00018 0.00320 -0.00428 -0.00118 35 7D 0 0.00000 0.00000 0.00000 0.00037 0.00000 36 7D+1 0.00000 0.00001 0.00014 0.00000 -0.00012 37 7D-1 0.00000 0.00010 0.00093 -0.00023 0.00000 38 7D+2 0.00000 0.00017 0.00038 0.00021 -0.00002 39 7D-2 0.00000 -0.00021 0.00028 0.00006 -0.00027 40 8D 0 -0.00003 -0.00001 -0.00002 0.00153 0.00001 41 8D+1 0.00000 -0.00001 0.00052 -0.00002 -0.00063 42 8D-1 0.00000 0.00036 0.00315 -0.00122 -0.00002 43 8D+2 -0.00003 0.00065 0.00061 0.00080 -0.00013 44 8D-2 -0.00001 -0.00120 0.00095 0.00023 -0.00143 45 3 Cu 1S 0.00000 -0.00037 -0.00002 -0.00044 -0.00039 46 2S -0.00075 0.01927 0.00045 0.01710 -0.00811 47 3S -0.00029 -0.00367 -0.00026 -0.00525 -0.05977 48 4PX 0.00000 -0.00001 0.00001 -0.00063 0.00016 49 4PY 0.00000 0.00002 -0.00043 0.00001 -0.00001 50 4PZ 0.00000 -0.00037 0.00000 0.00005 0.00018 51 5PX -0.00047 0.00055 -0.00005 0.00131 0.00990 52 5PY -0.00001 -0.00012 0.00701 -0.00007 -0.00003 53 5PZ -0.00004 0.00093 0.00007 -0.00125 -0.00484 54 6PX 0.00006 0.00356 -0.00011 -0.00201 -0.02173 55 6PY 0.00000 -0.00007 0.01223 -0.00009 0.00024 56 6PZ 0.00001 -0.00061 0.00000 0.00295 -0.00931 57 7D 0 0.00000 0.00042 0.00000 -0.00018 -0.00010 58 7D+1 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0.00000 179 3S -0.00114 0.00000 0.00000 0.00000 0.00000 180 4PX -0.00002 0.00000 0.00000 0.00000 0.00000 181 4PY -0.00036 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00001 0.00000 0.00000 0.00000 0.00000 183 5PX -0.00001 0.00000 0.00000 0.00000 0.00000 184 5PY -0.00029 0.00000 0.00000 0.00000 0.00000 185 5PZ -0.00002 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S -0.00001 0.00000 0.00000 0.00000 0.00000 188 3S -0.00006 0.00000 0.00000 0.00000 0.00000 189 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 190 4PY 0.00003 0.00000 0.00000 0.00000 0.00000 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 5PY 0.00007 0.00000 0.00000 0.00000 0.00000 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 7D-2 1.50497 172 8D 0 0.00000 0.16710 173 8D+1 0.00000 0.00000 0.16805 174 8D-1 0.00000 0.00000 0.00000 0.16817 175 8D+2 0.00000 0.00000 0.00000 0.00000 0.16527 176 8D-2 0.14863 0.00000 0.00000 0.00000 0.00000 177 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00000 0.00000 0.00000 0.00000 180 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 184 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 185 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3S 0.00000 0.00000 0.00000 0.00000 0.00000 189 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 190 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 8D-2 0.16563 177 9 C 1S 0.00000 2.09449 178 2S 0.00000 -0.04952 0.50653 179 3S 0.00000 -0.03756 0.32221 0.46663 180 4PX 0.00000 0.00000 0.00000 0.00000 0.37654 181 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00000 0.00000 0.00000 0.00000 0.03111 184 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 185 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 -0.00034 0.00233 -0.00028 187 2S 0.00000 -0.00029 0.00239 -0.02978 0.00354 188 3S 0.00000 0.00131 -0.03734 -0.05957 -0.00068 189 4PX 0.00000 -0.00029 0.00421 0.00007 0.05651 190 4PY 0.00000 -0.00437 0.06318 0.00087 0.02121 191 4PZ 0.00000 -0.00079 0.01143 0.00007 0.00386 192 5PX 0.00000 -0.00014 0.00137 -0.00004 0.05508 193 5PY 0.00000 -0.00204 0.01977 -0.00083 0.00582 194 5PZ 0.00000 -0.00040 0.00381 -0.00046 0.00104 181 182 183 184 185 181 4PY 0.62897 182 4PZ 0.00000 0.40414 183 5PX 0.00000 0.00000 0.01583 184 5PY 0.00727 0.00000 0.00000 0.02761 185 5PZ 0.00000 0.03034 0.00000 0.00000 0.02074 186 10 O 1S -0.00414 -0.00077 0.00003 0.00041 0.00009 187 2S 0.05331 0.00984 -0.00004 -0.00034 -0.00023 188 3S -0.01033 -0.00177 0.00067 0.01090 0.00142 189 4PX 0.02122 0.00385 0.00998 -0.00009 -0.00002 190 4PY 0.08073 0.05895 -0.00008 0.00272 0.00005 191 4PZ 0.05914 0.02955 -0.00002 -0.00004 0.00978 192 5PX 0.00579 0.00105 0.00977 0.00017 0.00002 193 5PY 0.00155 0.01633 0.00017 0.00285 0.00064 194 5PZ 0.01623 0.04060 0.00003 0.00070 0.00907 186 187 188 189 190 186 10 O 1S 2.11861 187 2S -0.07077 0.60498 188 3S -0.04542 0.41305 0.54074 189 4PX 0.00000 0.00000 0.00000 0.84471 190 4PY 0.00000 0.00000 0.00000 0.00000 0.85090 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.16337 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.09672 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 191 4PZ 0.83892 192 5PX 0.00000 0.12858 193 5PY 0.00000 0.00000 0.05733 194 5PZ 0.15305 0.00000 0.00000 0.11771 Gross orbital populations: 1 1 1 Cu 1S 2.00200 2 2S 0.63603 3 3S -0.75603 4 4PX 1.99494 5 4PY 1.99516 6 4PZ 1.99469 7 5PX 0.25517 8 5PY 0.33224 9 5PZ 0.20323 10 6PX -0.02102 11 6PY -0.03773 12 6PZ -0.02520 13 7D 0 1.65742 14 7D+1 1.64728 15 7D-1 1.63091 16 7D+2 1.62763 17 7D-2 1.63784 18 8D 0 0.31018 19 8D+1 0.31314 20 8D-1 0.31585 21 8D+2 0.31978 22 8D-2 0.31785 23 2 Cu 1S 1.99772 24 2S 0.61334 25 3S -0.13941 26 4PX 1.99532 27 4PY 1.99604 28 4PZ 1.99555 29 5PX 0.33285 30 5PY 0.27579 31 5PZ 0.22328 32 6PX -0.02121 33 6PY 0.06586 34 6PZ -0.01429 35 7D 0 1.65426 36 7D+1 1.65957 37 7D-1 1.61924 38 7D+2 1.62505 39 7D-2 1.61001 40 8D 0 0.30438 41 8D+1 0.30368 42 8D-1 0.30678 43 8D+2 0.30695 44 8D-2 0.31209 45 3 Cu 1S 2.00473 46 2S 0.66981 47 3S 0.13947 48 4PX 1.99450 49 4PY 1.99469 50 4PZ 1.99469 51 5PX 0.12455 52 5PY 0.09958 53 5PZ 0.15578 54 6PX 0.06056 55 6PY 0.02086 56 6PZ 0.03537 57 7D 0 1.65218 58 7D+1 1.63784 59 7D-1 1.65527 60 7D+2 1.64468 61 7D-2 1.64124 62 8D 0 0.31857 63 8D+1 0.32193 64 8D-1 0.31866 65 8D+2 0.32157 66 8D-2 0.32007 67 4 Cu 1S 2.00472 68 2S 0.66878 69 3S 0.14107 70 4PX 1.99478 71 4PY 1.99478 72 4PZ 1.99435 73 5PX 0.12684 74 5PY 0.12759 75 5PZ 0.12520 76 6PX 0.04128 77 6PY 0.03322 78 6PZ 0.04177 79 7D 0 1.65073 80 7D+1 1.64756 81 7D-1 1.65117 82 7D+2 1.64128 83 7D-2 1.64039 84 8D 0 0.31918 85 8D+1 0.32061 86 8D-1 0.31788 87 8D+2 0.32132 88 8D-2 0.32158 89 5 Cu 1S 2.00534 90 2S 0.70726 91 3S 0.32476 92 4PX 1.99431 93 4PY 1.99457 94 4PZ 1.99476 95 5PX 0.06727 96 5PY 0.04517 97 5PZ 0.07488 98 6PX 0.01157 99 6PY -0.01298 100 6PZ 0.02903 101 7D 0 1.64347 102 7D+1 1.64989 103 7D-1 1.64940 104 7D+2 1.65739 105 7D-2 1.64355 106 8D 0 0.32488 107 8D+1 0.32469 108 8D-1 0.32306 109 8D+2 0.32225 110 8D-2 0.32357 111 6 Cu 1S 2.00500 112 2S 0.66618 113 3S 0.14414 114 4PX 1.99479 115 4PY 1.99446 116 4PZ 1.99485 117 5PX 0.08066 118 5PY 0.12824 119 5PZ 0.17433 120 6PX -0.00242 121 6PY 0.07369 122 6PZ -0.03382 123 7D 0 1.64951 124 7D+1 1.65547 125 7D-1 1.63248 126 7D+2 1.65382 127 7D-2 1.64612 128 8D 0 0.32155 129 8D+1 0.32172 130 8D-1 0.32559 131 8D+2 0.32173 132 8D-2 0.32141 133 7 Cu 1S 2.00533 134 2S 0.70685 135 3S 0.34751 136 4PX 1.99434 137 4PY 1.99443 138 4PZ 1.99489 139 5PX 0.06389 140 5PY 0.05338 141 5PZ 0.07627 142 6PX 0.02251 143 6PY -0.00004 144 6PZ 0.00234 145 7D 0 1.64476 146 7D+1 1.65141 147 7D-1 1.65552 148 7D+2 1.65080 149 7D-2 1.64110 150 8D 0 0.32416 151 8D+1 0.32422 152 8D-1 0.32234 153 8D+2 0.32251 154 8D-2 0.32531 155 8 Cu 1S 2.00504 156 2S 0.71072 157 3S 0.37213 158 4PX 1.99478 159 4PY 1.99416 160 4PZ 1.99465 161 5PX 0.03373 162 5PY 0.05606 163 5PZ 0.05321 164 6PX 0.00794 165 6PY -0.01110 166 6PZ 0.01650 167 7D 0 1.63560 168 7D+1 1.65770 169 7D-1 1.64983 170 7D+2 1.65165 171 7D-2 1.65594 172 8D 0 0.32856 173 8D+1 0.32551 174 8D-1 0.32681 175 8D+2 0.32380 176 8D-2 0.32346 177 9 C 1S 1.99855 178 2S 0.88295 179 3S 0.69496 180 4PX 0.58092 181 4PY 0.88765 182 4PZ 0.61451 183 5PX 0.08726 184 5PY 0.04383 185 5PZ 0.08964 186 10 O 1S 1.99922 187 2S 0.99114 188 3S 0.83660 189 4PX 1.10356 190 4PY 1.16449 191 4PZ 1.10416 192 5PX 0.36255 193 5PY 0.19365 194 5PZ 0.33936 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 20.569491 -0.604389 -0.204175 -0.219949 -0.306433 -0.280197 2 Cu -0.604389 19.368995 -0.062693 -0.056843 0.049683 0.111237 3 Cu -0.204175 -0.062693 19.187052 0.015166 0.062452 -0.034914 4 Cu -0.219949 -0.056843 0.015166 19.173732 0.081091 -0.024071 5 Cu -0.306433 0.049683 0.062452 0.081091 19.041192 0.052543 6 Cu -0.280197 0.111237 -0.034914 -0.024071 0.052543 19.124804 7 Cu -0.329093 0.058735 0.082339 0.068329 0.072497 0.055417 8 Cu -0.354302 0.002077 0.093803 0.100988 0.050539 0.080083 9 C 0.075123 0.119300 -0.002833 -0.002678 -0.000284 -0.015672 10 O 0.005310 0.036730 -0.009590 -0.009694 -0.005192 0.000261 7 8 9 10 1 Cu -0.329093 -0.354302 0.075123 0.005310 2 Cu 0.058735 0.002077 0.119300 0.036730 3 Cu 0.082339 0.093803 -0.002833 -0.009590 4 Cu 0.068329 0.100988 -0.002678 -0.009694 5 Cu 0.072497 0.050539 -0.000284 -0.005192 6 Cu 0.055417 0.080083 -0.015672 0.000261 7 Cu 19.048642 0.073187 -0.000613 -0.005596 8 Cu 0.073187 19.061530 -0.001242 0.000036 9 C -0.000613 -0.001242 5.149209 0.559967 10 O -0.005596 0.000036 0.559967 7.522483 Mulliken atomic charges: 1 1 Cu 0.648616 2 Cu -0.022830 3 Cu -0.126606 4 Cu -0.126070 5 Cu -0.098087 6 Cu -0.069491 7 Cu -0.123842 8 Cu -0.106698 9 C 0.119725 10 O -0.094716 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.648616 2 Cu -0.022830 3 Cu -0.126606 4 Cu -0.126070 5 Cu -0.098087 6 Cu -0.069491 7 Cu -0.123842 8 Cu -0.106698 9 C 0.119725 10 O -0.094716 Sum of Mulliken charges= 0.00000 Electronic spatial extent (au): = 4213.6387 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.0518 Y= -0.0054 Z= 0.1593 Tot= 0.1676 Quadrupole moment (field-independent basis, Debye-Ang): XX= -110.3170 YY= -115.4930 ZZ= -116.4255 XY= 0.8002 XZ= 1.0554 YZ= -1.0134 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 3.7615 YY= -1.4145 ZZ= -2.3470 XY= 0.8002 XZ= 1.0554 YZ= -1.0134 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 23.5247 YYY= 305.7936 ZZZ= -110.9011 XYY= -5.6275 XXY= 82.4923 XXZ= -29.1024 XZZ= 8.6145 YZZ= 97.8326 YYZ= -22.4698 XYZ= -5.3987 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1124.4338 YYYY= -3215.0394 ZZZZ= -1038.7161 XXXY= 180.9846 XXXZ= 37.7773 YYYX= 217.2053 YYYZ= -155.2856 ZZZX= 45.4623 ZZZY= -70.5627 XXYY= -685.2984 XXZZ= -340.5990 YYZZ= -666.9238 XXYZ= -45.8248 YYXZ= 13.9886 ZZXY= 45.0939 N-N= 2.074092480554D+03 E-N=-8.258314195808D+03 KE= 1.132160562941D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.27572 29.12431 2 O -10.35655 15.96868 3 O -4.34931 2.68677 4 O -4.30768 2.68729 5 O -4.29297 2.68656 6 O -4.29249 2.68780 7 O -4.28870 2.68770 8 O -4.28439 2.68762 9 O -4.28395 2.68764 10 O -4.27154 2.68765 11 O -2.86104 5.08120 12 O -2.85309 5.08576 13 O -2.85226 5.08851 14 O -2.81609 5.08081 15 O -2.81387 5.08370 16 O -2.81354 5.08352 17 O -2.80154 5.07394 18 O -2.80047 5.08314 19 O -2.80026 5.09025 20 O -2.79988 5.08820 21 O -2.79906 5.08514 22 O -2.79854 5.08847 23 O -2.79710 5.08982 24 O -2.79583 5.08617 25 O -2.79492 5.09008 26 O -2.79372 5.08653 27 O -2.79326 5.08662 28 O -2.79087 5.08895 29 O -2.79054 5.08941 30 O -2.79047 5.08932 31 O -2.79007 5.08919 32 O -2.78164 5.08602 33 O -2.77888 5.08933 34 O -2.77639 5.09012 35 O -1.19246 2.85986 36 O -0.59111 2.51891 37 O -0.48760 2.03381 38 O -0.48747 2.03514 39 O -0.48097 2.43942 40 O -0.35967 2.70663 41 O -0.34406 7.94716 42 O -0.33504 7.68535 43 O -0.32985 8.09610 44 O -0.32788 8.93465 45 O -0.32475 7.52973 46 O -0.31851 7.78758 47 O -0.30826 8.26578 48 O -0.30658 8.19603 49 O -0.30601 8.17333 50 O -0.30247 8.81115 51 O -0.29886 8.14265 52 O -0.28982 8.84015 53 O -0.28830 8.81926 54 O -0.28700 8.94460 55 O -0.28374 8.70361 56 O -0.28210 8.84949 57 O -0.27848 8.44380 58 O -0.27508 8.77836 59 O -0.27454 8.53476 60 O -0.27079 9.02175 61 O -0.26935 8.90308 62 O -0.26758 9.08424 63 O -0.26505 9.19459 64 O -0.26471 9.00051 65 O -0.26341 9.06340 66 O -0.26108 9.28157 67 O -0.25980 9.33104 68 O -0.25884 9.42712 69 O -0.25651 9.26196 70 O -0.25634 9.55438 71 O -0.25543 9.32459 72 O -0.25391 9.55654 73 O -0.25310 9.44029 74 O -0.25279 9.48551 75 O -0.25050 9.43359 76 O -0.24803 9.46328 77 O -0.24670 9.57208 78 O -0.24525 9.30016 79 O -0.24474 9.62603 80 O -0.24032 9.56708 81 O -0.20743 2.90606 82 O -0.20421 2.62615 83 O -0.18388 1.91174 84 V -0.09648 1.74153 85 V -0.08718 1.99181 86 V -0.07773 0.89621 87 V -0.06848 0.93739 88 V -0.06138 1.40856 89 V -0.05259 1.09982 90 V -0.03880 0.64706 91 V -0.03106 0.78011 92 V -0.00654 0.59115 93 V -0.00295 0.51478 94 V -0.00073 0.49189 95 V 0.02094 0.45830 96 V 0.02438 0.53572 97 V 0.02492 0.54688 98 V 0.02681 0.42908 99 V 0.03493 0.43417 100 V 0.03576 0.37350 101 V 0.03711 0.38379 102 V 0.03913 0.43284 103 V 0.04359 0.32726 104 V 0.04421 0.33180 105 V 0.04993 0.34324 106 V 0.05397 0.38003 107 V 0.05606 0.38036 108 V 0.06870 0.53414 109 V 0.06988 0.53618 110 V 0.07691 0.45290 111 V 0.07783 0.23863 112 V 0.08119 0.24206 113 V 0.08556 0.31776 114 V 0.08567 0.25157 115 V 0.08952 0.39251 116 V 0.09217 0.43490 117 V 0.09357 0.53846 118 V 0.09871 0.36120 119 V 0.10020 0.55154 120 V 0.10976 0.57489 121 V 0.12042 0.62338 122 V 0.12305 0.56978 123 V 0.15523 0.49327 124 V 0.17439 0.93811 125 V 0.19528 1.27602 126 V 0.20181 1.07474 127 V 0.20551 1.11147 128 V 0.22152 1.42775 129 V 0.24269 1.27975 130 V 0.25628 1.26461 131 V 0.26762 1.46963 132 V 0.27048 1.22786 133 V 0.28082 1.69807 134 V 0.28741 1.35327 135 V 0.29329 1.35806 136 V 0.31129 1.38350 137 V 0.32195 1.39468 138 V 0.34129 1.52181 139 V 0.37594 1.39386 140 V 0.40362 1.38060 141 V 0.52882 2.78410 142 V 0.62694 3.63470 143 V 0.63102 4.31478 144 V 0.64245 4.10143 145 V 0.67019 4.49058 146 V 0.67251 3.40341 147 V 0.67393 4.14528 148 V 0.71060 3.87945 149 V 0.71772 3.79714 150 V 0.73450 3.52270 151 V 0.74958 4.03218 152 V 0.76450 4.31235 153 V 0.77763 4.23757 154 V 0.79105 4.41430 155 V 0.79616 3.97360 156 V 0.81094 4.38266 157 V 0.82424 3.94582 158 V 0.85182 4.43745 159 V 0.86129 3.80626 160 V 0.86859 3.78915 161 V 0.88627 4.56488 162 V 0.90079 4.38503 163 V 0.90235 4.21759 164 V 0.94173 4.33957 165 V 0.96076 4.38967 166 V 1.00192 4.15986 167 V 1.02425 4.06274 168 V 1.03496 4.42120 169 V 1.05108 4.37947 170 V 1.05519 4.31944 171 V 1.08050 4.38207 172 V 1.10605 4.53217 173 V 1.12493 4.48872 174 V 1.13847 4.23381 175 V 1.20034 4.38541 176 V 1.24102 4.62565 177 V 1.27551 4.59779 178 V 1.27935 4.65647 179 V 1.28930 4.59310 180 V 1.30862 4.60366 181 V 1.31063 4.65738 182 V 1.32017 4.61813 183 V 1.32864 4.66678 184 V 1.34953 4.68701 185 V 1.43241 4.61628 186 V 1.58100 2.98251 187 V 1.68601 2.94477 188 V 1.71938 2.06591 189 V 1.88193 2.48852 190 V 2.06091 1.90049 191 V 2.64061 1.38911 192 V 2.75330 1.45192 193 V 4.05970 1.57715 194 V 10.64344 2.95114 Total kinetic energy from orbitals= 1.132160562941D+03 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon Apr 14 13:43:36 2008, MaxMem= 1258291200 cpu: 2.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l9999.exe) 1\1\GINC-CO-COMPUTE2\FOpt\RB3LYP\LANL2DZ\C1Cu8O1\ZNAMESKI\14-Apr-2008\ 0\\#P B3LYP/LANL2DZ Opt nosymm Pop=Full Freq(Raman) Geom=AllCheck\\Cu8 CO02_001\\0,1\Cu,-0.3152913458,-0.2120722431,1.2414032883\Cu,0.2577382 341,-2.4482339007,0.2817731673\Cu,1.3350881923,-0.3177524943,-0.724849 87\Cu,-1.0747284449,-0.760862165,-1.1629895809\Cu,1.9253950138,-1.1428 530781,1.5964162582\Cu,-0.3392696948,1.5630152258,-0.4850736642\Cu,-2. 0921124785,-1.860027273,0.8633806219\Cu,-0.9760030022,2.0451960989,1.8 021782092\C,0.6925826569,-4.145166622,-0.4464513276\O,0.9622118691,-5. 1905185486,-0.8945141021\\Version=IA64L-G03RevE.01\HF=-1682.7446173\RM SD=5.827e-09\RMSF=4.436e-04\Thermal=0.\Dipole=-0.0203623,-0.0021246,0. 0626612\PG=C01 [X(C1Cu8O1)]\\@ THERE IS MORE TO LIFE THAN INCREASING ITS SPEED. -- GANDHI Leave Link 9999 at Mon Apr 14 13:43:36 2008, MaxMem= 1258291200 cpu: 0.1 Job cpu time: 0 days 0 hours 1 minutes 41.9 seconds. File lengths (MBytes): RWF= 29 Int= 0 D2E= 0 Chk= 16 Scr= 1 Normal termination of Gaussian 03 at Mon Apr 14 13:43:36 2008. (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1.exe) Link1: Proceeding to internal job step number 2. ----------------------------------------------------------------- #P Geom=AllCheck Guess=Read SCRF=Check GenChk RB3LYP/LANL2DZ Freq ----------------------------------------------------------------- 1/10=4,29=7,30=1,38=1121,40=1,46=1/1,3,6; 2/15=1,40=1/2; 3/5=6,6=3,11=2,16=1,25=1,30=1,70=2,71=2,74=-5/1,2,3; 4/5=1,7=1,69=2/1; 5/5=2,38=6/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10; 10/6=1,31=1/2; 6/7=3,28=1/1; 7/10=1,25=1,30=1/1,2,3,16; 1/38=1120,46=1/6(3); 7/8=1,25=1,30=1,44=-1/16; 1/10=4,30=1,38=1120,46=1/3; 99//99; 3/5=6,6=3,11=2,14=-3,16=1,25=1,30=1,70=5,71=2,74=-5/1,2,3; 4/5=5,7=1,16=3,69=2/1; 5/5=2,38=5/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10; 10/6=101,13=10,31=1/2; 6/7=2,8=2,9=2,10=2,28=1/1; 7/7=1,10=1,30=1/16; 1/38=1120,46=1/6(-8); 7/8=1,25=1,30=1,44=-1/16; 1/10=4,30=1,38=1120,46=1/3; 99//99; Leave Link 1 at Mon Apr 14 13:43:36 2008, MaxMem= 1258291200 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l101.exe) ----------- Cu8CO02_001 ----------- Redundant internal coordinates taken from checkpoint file: Cu8CO02_001.chk Charge = 0 Multiplicity = 1 Cu,0,-0.3152913458,-0.2120722431,1.2414032883 Cu,0,0.2577382341,-2.4482339007,0.2817731673 Cu,0,1.3350881923,-0.3177524943,-0.72484987 Cu,0,-1.0747284449,-0.760862165,-1.1629895809 Cu,0,1.9253950138,-1.1428530781,1.5964162582 Cu,0,-0.3392696948,1.5630152258,-0.4850736642 Cu,0,-2.0921124785,-1.860027273,0.8633806219 Cu,0,-0.9760030022,2.0451960989,1.8021782092 C,0,0.6925826569,-4.145166622,-0.4464513276 O,0,0.9622118691,-5.1905185486,-0.8945141021 Recover connectivity data from disk. Isotopes and Nuclear Properties: (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) in nuclear magnetons) Atom 1 2 3 4 5 6 7 8 9 10 IAtWgt= 63 63 63 63 63 63 63 63 12 16 AtmWgt= 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 62.9295992 12.0000000 15.9949146 NucSpn= 3 3 3 3 3 3 3 3 0 0 AtZEff= -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -17.6900000 -3.6000000 -5.6000000 NQMom= -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 -22.0000000 0.0000000 0.0000000 NMagM= 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 2.2233000 0.0000000 0.0000000 Leave Link 101 at Mon Apr 14 13:43:37 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) 2.4999 calculate D2E/DX2 analytically ! ! R2 R(1,3) 2.5693 calculate D2E/DX2 analytically ! ! R3 R(1,4) 2.5805 calculate D2E/DX2 analytically ! ! R4 R(1,5) 2.4522 calculate D2E/DX2 analytically ! ! R5 R(1,6) 2.4763 calculate D2E/DX2 analytically ! ! R6 R(1,7) 2.4527 calculate D2E/DX2 analytically ! ! R7 R(1,8) 2.4179 calculate D2E/DX2 analytically ! ! R8 R(2,3) 2.5909 calculate D2E/DX2 analytically ! ! R9 R(2,7) 2.4912 calculate D2E/DX2 analytically ! ! R10 R(2,9) 1.8971 calculate D2E/DX2 analytically ! ! R11 R(3,6) 2.5295 calculate D2E/DX2 analytically ! ! R12 R(4,6) 2.53 calculate D2E/DX2 analytically ! ! R13 R(4,7) 2.5198 calculate D2E/DX2 analytically ! ! R14 R(5,8) 4.3156 calculate D2E/DX2 analytically ! ! R15 R(6,8) 2.4227 calculate D2E/DX2 analytically ! ! R16 R(7,9) 3.833 calculate D2E/DX2 analytically ! ! R17 R(9,10) 1.1689 calculate D2E/DX2 analytically ! ! A1 A(2,1,4) 61.2862 calculate D2E/DX2 analytically ! ! A2 A(2,1,5) 60.4355 calculate D2E/DX2 analytically ! ! A3 A(2,1,6) 112.0727 calculate D2E/DX2 analytically ! ! A4 A(2,1,8) 170.6536 calculate D2E/DX2 analytically ! ! A5 A(3,1,4) 57.8069 calculate D2E/DX2 analytically ! ! A6 A(3,1,5) 60.5425 calculate D2E/DX2 analytically ! ! A7 A(3,1,7) 108.6482 calculate D2E/DX2 analytically ! ! A8 A(3,1,8) 113.043 calculate D2E/DX2 analytically ! ! A9 A(4,1,5) 108.8499 calculate D2E/DX2 analytically ! ! A10 A(4,1,8) 109.5249 calculate D2E/DX2 analytically ! ! A11 A(5,1,6) 112.4497 calculate D2E/DX2 analytically ! ! A12 A(5,1,7) 115.4193 calculate D2E/DX2 analytically ! ! A13 A(6,1,7) 111.5404 calculate D2E/DX2 analytically ! ! A14 A(7,1,8) 117.713 calculate D2E/DX2 analytically ! ! A15 A(1,2,9) 179.9999 calculate D2E/DX2 analytically ! ! A16 A(3,2,7) 106.7847 calculate D2E/DX2 analytically ! ! A17 A(3,2,9) 119.4113 calculate D2E/DX2 analytically ! ! A18 A(2,3,6) 107.4173 calculate D2E/DX2 analytically ! ! A19 A(6,4,7) 107.6115 calculate D2E/DX2 analytically ! ! A20 A(3,6,4) 58.9396 calculate D2E/DX2 analytically ! ! A21 A(3,6,8) 114.2959 calculate D2E/DX2 analytically ! ! A22 A(4,6,8) 111.0623 calculate D2E/DX2 analytically ! ! A23 A(1,7,9) 85.8097 calculate D2E/DX2 analytically ! ! A24 A(2,7,4) 62.251 calculate D2E/DX2 analytically ! ! A25 A(4,7,9) 72.0565 calculate D2E/DX2 analytically ! ! A26 A(5,8,6) 68.3622 calculate D2E/DX2 analytically ! ! A27 A(2,9,10) 179.9105 calculate D2E/DX2 analytically ! ! A28 A(7,9,10) 146.2802 calculate D2E/DX2 analytically ! ! D1 D(4,1,2,9) -62.0348 calculate D2E/DX2 analytically ! ! D2 D(5,1,2,9) 160.7189 calculate D2E/DX2 analytically ! ! D3 D(6,1,2,9) -95.1741 calculate D2E/DX2 analytically ! ! D4 D(8,1,2,9) -72.984 calculate D2E/DX2 analytically ! ! D5 D(3,1,7,9) 39.4817 calculate D2E/DX2 analytically ! ! D6 D(5,1,7,9) -26.0446 calculate D2E/DX2 analytically ! ! D7 D(6,1,7,9) 103.9071 calculate D2E/DX2 analytically ! ! D8 D(8,1,7,9) 169.5661 calculate D2E/DX2 analytically ! ! D9 D(7,2,3,6) 5.9907 calculate D2E/DX2 analytically ! ! D10 D(9,2,3,6) 148.1737 calculate D2E/DX2 analytically ! ! D11 D(3,2,7,4) 33.7423 calculate D2E/DX2 analytically ! ! D12 D(1,2,9,10) -163.8783 calculate D2E/DX2 analytically ! ! D13 D(3,2,9,10) 67.2635 calculate D2E/DX2 analytically ! ! D14 D(2,3,6,4) -40.9178 calculate D2E/DX2 analytically ! ! D15 D(2,3,6,8) 59.942 calculate D2E/DX2 analytically ! ! D16 D(7,4,6,3) 102.395 calculate D2E/DX2 analytically ! ! D17 D(7,4,6,8) -4.0294 calculate D2E/DX2 analytically ! ! D18 D(6,4,7,2) -99.9745 calculate D2E/DX2 analytically ! ! D19 D(6,4,7,9) -125.0839 calculate D2E/DX2 analytically ! ! D20 D(3,6,8,5) 0.8771 calculate D2E/DX2 analytically ! ! D21 D(4,6,8,5) 65.2347 calculate D2E/DX2 analytically ! ! D22 D(1,7,9,10) 179.9345 calculate D2E/DX2 analytically ! ! D23 D(4,7,9,10) -117.6343 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 Mon Apr 14 13:43:37 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 Mon Apr 14 13:43:37 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 -0.315291 -0.212072 1.241403 2 29 0 0.257738 -2.448234 0.281773 3 29 0 1.335088 -0.317752 -0.724850 4 29 0 -1.074728 -0.760862 -1.162990 5 29 0 1.925395 -1.142853 1.596416 6 29 0 -0.339270 1.563015 -0.485074 7 29 0 -2.092112 -1.860027 0.863381 8 29 0 -0.976003 2.045196 1.802178 9 6 0 0.692583 -4.145167 -0.446451 10 8 0 0.962212 -5.190519 -0.894514 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.499934 0.000000 3 Cu 2.569255 2.590931 0.000000 4 Cu 2.580508 2.590373 2.489082 0.000000 5 Cu 2.452155 2.492666 2.533284 4.094017 0.000000 6 Cu 2.476335 4.127298 2.529477 2.529995 4.096710 7 Cu 2.452703 2.491195 4.080048 2.519804 4.146329 8 Cu 2.417906 4.901496 4.160594 4.083617 4.315566 9 C 4.397032 1.897098 3.890941 3.884628 3.834973 10 O 5.565886 3.065952 4.889956 4.882936 4.849335 6 7 8 9 10 6 Cu 0.000000 7 Cu 4.075292 0.000000 8 Cu 2.422695 4.168670 0.000000 9 C 5.800823 3.833021 6.794196 0.000000 10 O 6.889972 4.848841 7.961432 1.168854 0.000000 Symmetry turned off by external request. Stoichiometry CCu8O Framework group C1[X(CCu8O)] Deg. of freedom 24 Full point group C1 Rotational constants (GHZ): 0.3928415 0.2285162 0.2107790 Leave Link 202 at Mon Apr 14 13:43:38 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. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2074.0924805540 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 10 NActive= 10 NUniq= 10 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Mon Apr 14 13:43:38 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= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 194 RedAO= T NBF= 194 NBsUse= 194 1.00D-06 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 615 NPtTot= 106536 NUsed= 110882 NTot= 110914 NSgBfM= 210 210 210 210. Leave Link 302 at Mon Apr 14 13:43:41 2008, MaxMem= 1258291200 cpu: 9.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Mon Apr 14 13:43:41 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the checkpoint file: Cu8CO02_001.chk Guess basis will be translated and rotated to current coordinates. Leave Link 401 at Mon Apr 14 13:43:41 2008, MaxMem= 1258291200 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 110881 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234528. IEnd= 284564 IEndB= 284564 NGot=1258291200 MDV=1012634483 LenX=1012634483 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= -1682.74461726870 DIIS: error= 1.03D-08 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.74461726870 IErMin= 1 ErrMin= 1.03D-08 ErrMax= 1.03D-08 EMaxC= 1.00D-01 BMatC= 1.84D-14 BMatP= 1.84D-14 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.100D+01 Coeff: 0.100D+01 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=6.09D-09 MaxDP=9.12D-08 OVMax= 3.23D-07 SCF Done: E(RB+HF-LYP) = -1682.74461727 A.U. after 1 cycles Convg = 0.6094D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132160570811D+03 PE=-8.258314203678D+03 EE= 3.369316535045D+03 Leave Link 502 at Mon Apr 14 13:43:58 2008, MaxMem= 1258291200 cpu: 50.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.15663832D+02 **** Warning!!: The smallest alpha delta epsilon is 0.87402725D-01 Leave Link 801 at Mon Apr 14 13:43:59 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Mon Apr 14 13:44:05 2008, MaxMem= 1258291200 cpu: 20.7 (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 Mon Apr 14 13:44:06 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291118. G2DrvN: will do 11 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Mon Apr 14 13:45:12 2008, MaxMem= 1258291200 cpu: 261.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: Closed-shell wavefunction. DoAtom=TTTTTTTTTT Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F. MDV= 1258291108 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 246256574. 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 33 degrees of freedom in the 1st order CPHF. 30 vectors were produced by pass 0. AX will form 30 AO Fock derivatives at one time. 30 vectors were produced by pass 1. 30 vectors were produced by pass 2. 30 vectors were produced by pass 3. 30 vectors were produced by pass 4. 30 vectors were produced by pass 5. 30 vectors were produced by pass 6. 18 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. Inv2: IOpt= 1 Iter= 1 AM= 2.55D-15 Conv= 1.00D-12. Inverted reduced A of dimension 234 with in-core refinement. FullF1: Do perturbations 1 to 33. Isotropic polarizability for W= 0.000000 303.11 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Mon Apr 14 13:48:14 2008, MaxMem= 1258291200 cpu: 630.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27572 -10.35655 -4.34931 -4.30768 -4.29297 Alpha occ. eigenvalues -- -4.29249 -4.28870 -4.28439 -4.28395 -4.27154 Alpha occ. eigenvalues -- -2.86104 -2.85309 -2.85226 -2.81609 -2.81387 Alpha occ. eigenvalues -- -2.81354 -2.80154 -2.80047 -2.80026 -2.79988 Alpha occ. eigenvalues -- -2.79906 -2.79854 -2.79710 -2.79583 -2.79492 Alpha occ. eigenvalues -- -2.79372 -2.79326 -2.79087 -2.79054 -2.79047 Alpha occ. eigenvalues -- -2.79007 -2.78164 -2.77888 -2.77639 -1.19246 Alpha occ. eigenvalues -- -0.59111 -0.48760 -0.48747 -0.48097 -0.35967 Alpha occ. eigenvalues -- -0.34406 -0.33504 -0.32985 -0.32788 -0.32475 Alpha occ. eigenvalues -- -0.31851 -0.30826 -0.30658 -0.30601 -0.30247 Alpha occ. eigenvalues -- -0.29886 -0.28982 -0.28830 -0.28700 -0.28374 Alpha occ. eigenvalues -- -0.28210 -0.27848 -0.27508 -0.27454 -0.27079 Alpha occ. eigenvalues -- -0.26935 -0.26758 -0.26505 -0.26471 -0.26341 Alpha occ. eigenvalues -- -0.26108 -0.25980 -0.25884 -0.25651 -0.25634 Alpha occ. eigenvalues -- -0.25543 -0.25391 -0.25310 -0.25279 -0.25050 Alpha occ. eigenvalues -- -0.24804 -0.24670 -0.24525 -0.24474 -0.24032 Alpha occ. eigenvalues -- -0.20743 -0.20421 -0.18388 Alpha virt. eigenvalues -- -0.09648 -0.08718 -0.07773 -0.06848 -0.06138 Alpha virt. eigenvalues -- -0.05259 -0.03880 -0.03106 -0.00654 -0.00295 Alpha virt. eigenvalues -- -0.00073 0.02094 0.02438 0.02492 0.02681 Alpha virt. eigenvalues -- 0.03493 0.03576 0.03711 0.03913 0.04359 Alpha virt. eigenvalues -- 0.04421 0.04993 0.05397 0.05606 0.06870 Alpha virt. eigenvalues -- 0.06988 0.07691 0.07783 0.08119 0.08556 Alpha virt. eigenvalues -- 0.08567 0.08952 0.09217 0.09357 0.09871 Alpha virt. eigenvalues -- 0.10020 0.10976 0.12042 0.12305 0.15523 Alpha virt. eigenvalues -- 0.17439 0.19528 0.20181 0.20551 0.22152 Alpha virt. eigenvalues -- 0.24269 0.25628 0.26762 0.27048 0.28082 Alpha virt. eigenvalues -- 0.28741 0.29329 0.31129 0.32195 0.34129 Alpha virt. eigenvalues -- 0.37594 0.40362 0.52882 0.62694 0.63102 Alpha virt. eigenvalues -- 0.64245 0.67019 0.67251 0.67393 0.71060 Alpha virt. eigenvalues -- 0.71772 0.73450 0.74958 0.76450 0.77763 Alpha virt. eigenvalues -- 0.79105 0.79616 0.81094 0.82424 0.85182 Alpha virt. eigenvalues -- 0.86129 0.86859 0.88627 0.90079 0.90235 Alpha virt. eigenvalues -- 0.94173 0.96076 1.00192 1.02425 1.03496 Alpha virt. eigenvalues -- 1.05108 1.05519 1.08050 1.10605 1.12493 Alpha virt. eigenvalues -- 1.13847 1.20034 1.24102 1.27551 1.27935 Alpha virt. eigenvalues -- 1.28930 1.30862 1.31063 1.32017 1.32864 Alpha virt. eigenvalues -- 1.34953 1.43241 1.58100 1.68601 1.71938 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-0.10135 0.03261 -0.06413 -0.02036 194 5PZ 0.04160 0.20842 0.05822 -0.03203 0.01576 41 42 43 44 45 O O O O O EIGENVALUES -- -0.34406 -0.33504 -0.32985 -0.32788 -0.32475 1 1 Cu 1S 0.00007 -0.00280 0.00024 0.00005 -0.00280 2 2S 0.00101 0.12556 0.10476 -0.00290 -0.02961 3 3S -0.01081 -0.13547 0.07101 0.00009 -0.03343 4 4PX -0.02015 -0.00060 -0.00042 -0.00033 0.00161 5 4PY -0.00375 0.00481 -0.00471 -0.00019 -0.01543 6 4PZ -0.00401 0.00240 0.00972 -0.00036 0.00560 7 5PX 0.00052 0.00491 0.01349 0.00180 -0.00927 8 5PY -0.00349 -0.01494 -0.05352 0.00182 0.01696 9 5PZ 0.00002 -0.01855 -0.02297 0.00113 0.02473 10 6PX -0.15496 0.00311 0.04699 -0.04744 -0.00877 11 6PY -0.03416 -0.02073 -0.12802 -0.00040 -0.02774 12 6PZ -0.02991 0.02128 -0.00381 -0.00782 -0.00066 13 7D 0 -0.04931 -0.17465 0.00373 0.01517 0.22660 14 7D+1 -0.12806 0.05136 0.00112 0.04913 0.00676 15 7D-1 -0.06556 -0.07692 -0.13141 -0.00135 -0.28727 16 7D+2 0.10308 -0.11580 -0.13310 0.01694 0.11495 17 7D-2 -0.21230 -0.03316 -0.03238 -0.06541 0.10129 18 8D 0 -0.01666 -0.05805 0.00035 0.00466 0.07290 19 8D+1 -0.04307 0.01682 0.00053 0.01528 0.00311 20 8D-1 -0.02226 -0.02578 -0.04403 -0.00079 -0.09679 21 8D+2 0.03533 -0.04011 -0.04584 0.00618 0.03701 22 8D-2 -0.07285 -0.01167 -0.01131 -0.02265 0.03359 23 2 Cu 1S -0.00005 -0.00157 0.00020 0.00002 -0.00188 24 2S -0.00090 0.06083 -0.06574 0.00020 0.08054 25 3S -0.00088 0.01775 -0.04101 0.00118 -0.15847 26 4PX -0.01686 0.00598 0.00285 0.00083 -0.00876 27 4PY -0.00301 -0.01893 -0.00995 0.00061 0.03064 28 4PZ -0.00329 -0.01368 -0.00551 0.00030 0.01786 29 5PX 0.00123 -0.01071 0.00140 -0.00260 0.03144 30 5PY -0.00056 0.05740 -0.03214 -0.00065 -0.14000 31 5PZ -0.00004 0.00367 0.02262 -0.00056 -0.03341 32 6PX 0.03411 0.00005 -0.01519 0.01327 0.00407 33 6PY 0.00490 0.01000 0.00713 0.00199 -0.03733 34 6PZ 0.00505 -0.01497 0.04222 0.00279 0.03769 35 7D 0 0.04594 0.03237 0.51881 0.23343 0.29654 36 7D+1 0.11182 -0.02121 -0.25559 0.75019 0.02399 37 7D-1 0.14751 0.53632 0.13883 0.09809 -0.24450 38 7D+2 -0.25206 0.44771 -0.35149 -0.07420 0.35233 39 7D-2 0.61668 0.05209 -0.17086 -0.19349 0.18478 40 8D 0 0.01556 0.01322 0.16564 0.07349 0.09708 41 8D+1 0.03805 -0.00802 -0.08241 0.23627 0.00785 42 8D-1 0.04878 0.17314 0.04922 0.03119 -0.07730 43 8D+2 -0.08333 0.14365 -0.11141 -0.02427 0.11828 44 8D-2 0.20353 0.01645 -0.05515 -0.05857 0.06102 45 3 Cu 1S -0.00039 -0.00368 -0.00274 -0.00217 -0.00023 46 2S 0.05893 0.00676 0.02400 -0.04652 0.08655 47 3S 0.13812 -0.14622 0.01429 -0.16205 0.07534 48 4PX 0.00232 -0.00514 0.01141 -0.00092 0.01261 49 4PY 0.00718 -0.00461 -0.00896 -0.00719 -0.00152 50 4PZ -0.01391 -0.00539 0.00156 0.00502 0.00227 51 5PX -0.04900 0.03354 -0.01207 0.02291 -0.02951 52 5PY -0.01912 0.01519 -0.00522 0.04222 -0.03328 53 5PZ 0.03078 -0.03061 0.00038 -0.02633 0.01862 54 6PX -0.02168 -0.00947 0.00403 0.02201 0.00612 55 6PY 0.02355 -0.01092 -0.01375 0.00123 -0.02202 56 6PZ -0.02183 -0.01504 -0.00705 -0.00567 -0.00151 57 7D 0 0.07131 0.07542 -0.04531 0.02042 -0.13976 58 7D+1 -0.03863 0.01507 -0.03867 0.00888 0.04379 59 7D-1 -0.09197 -0.00348 0.10526 0.05164 0.07342 60 7D+2 -0.04536 -0.02551 0.10104 0.08323 0.02399 61 7D-2 0.01681 -0.11677 -0.03078 -0.00130 -0.10527 62 8D 0 0.02416 0.02547 -0.01628 0.00752 -0.04861 63 8D+1 -0.01530 0.00720 -0.01328 0.00318 0.01429 64 8D-1 -0.03325 -0.00080 0.03650 0.01839 0.02415 65 8D+2 -0.01300 -0.01098 0.03434 0.02934 0.00817 66 8D-2 0.00668 -0.04143 -0.00747 0.00050 -0.03557 67 4 Cu 1S 0.00065 -0.00361 -0.00265 0.00234 -0.00034 68 2S -0.06280 0.00984 0.02551 0.04477 0.08563 69 3S -0.13923 -0.13901 0.02258 0.16218 0.06857 70 4PX 0.00057 0.00791 -0.00742 -0.00144 -0.01128 71 4PY -0.00667 -0.00196 -0.01228 0.00724 -0.00579 72 4PZ 0.01482 -0.00363 -0.00210 -0.00522 -0.00202 73 5PX -0.04077 -0.02331 0.01234 0.02614 0.03040 74 5PY 0.00229 0.00299 -0.00180 -0.03391 -0.02300 75 5PZ -0.04789 -0.03873 0.00611 0.03478 0.02900 76 6PX -0.01805 0.01696 -0.00506 0.01669 0.00634 77 6PY -0.02846 -0.00409 -0.01294 0.00387 -0.02480 78 6PZ 0.01522 -0.01101 -0.00221 0.01330 -0.00215 79 7D 0 -0.08466 0.04974 -0.01760 -0.01523 -0.14650 80 7D+1 -0.01187 -0.07741 0.04242 0.00995 0.01221 81 7D-1 0.08880 0.01236 0.13488 -0.06087 0.09836 82 7D+2 0.03809 -0.08234 0.05316 -0.07035 -0.03488 83 7D-2 0.01627 0.07005 0.04318 -0.04379 0.06888 84 8D 0 -0.03042 0.01537 -0.00658 -0.00561 -0.05034 85 8D+1 -0.00731 -0.02877 0.01525 0.00369 0.00544 86 8D-1 0.03117 0.00391 0.04570 -0.02122 0.03286 87 8D+2 0.01151 -0.03008 0.01994 -0.02546 -0.01206 88 8D-2 0.00432 0.02388 0.01227 -0.01464 0.02339 89 5 Cu 1S -0.00271 -0.00037 -0.00158 0.00168 0.00183 90 2S 0.08121 0.09087 -0.02565 0.02087 0.01337 91 3S 0.07509 0.12098 -0.10280 0.10099 0.04869 92 4PX 0.01654 0.01565 0.00126 0.00615 -0.00448 93 4PY -0.00031 0.00314 -0.00720 0.00621 0.00497 94 4PZ 0.01410 0.00874 -0.01003 -0.00283 0.00096 95 5PX -0.04757 -0.04147 0.01113 -0.02423 -0.00343 96 5PY 0.00497 0.00137 0.01633 -0.01360 -0.02480 97 5PZ -0.03006 -0.03569 0.03954 -0.00680 0.00224 98 6PX 0.02580 -0.00216 0.02223 -0.01298 -0.01858 99 6PY 0.03306 0.01519 0.01807 0.01866 0.02593 100 6PZ 0.03134 -0.01445 -0.02234 -0.01351 -0.01971 101 7D 0 0.02089 -0.03304 -0.07704 -0.09888 0.02110 102 7D+1 0.12987 0.05981 -0.06903 0.00610 -0.06569 103 7D-1 0.00406 0.03737 -0.08511 0.02627 0.04462 104 7D+2 0.08253 0.05767 0.06673 0.00667 -0.09066 105 7D-2 0.01778 0.04178 -0.03294 0.08062 0.04164 106 8D 0 0.00873 -0.01048 -0.02875 -0.03574 0.00688 107 8D+1 0.04837 0.02082 -0.02550 0.00100 -0.02607 108 8D-1 -0.00049 0.01283 -0.03067 0.00663 0.01546 109 8D+2 0.03259 0.02008 0.02423 0.00150 -0.03119 110 8D-2 0.00499 0.01347 -0.00862 0.02833 0.01586 111 6 Cu 1S 0.00003 0.00151 -0.00370 0.00003 -0.00029 112 2S -0.00041 0.06826 0.08625 -0.00191 0.09266 113 3S -0.00143 0.13926 0.08595 0.00142 0.11508 114 4PX -0.00148 0.00102 -0.00005 0.00345 -0.00361 115 4PY -0.00049 0.00672 0.01403 0.00033 0.01897 116 4PZ -0.00045 -0.01050 -0.01209 0.00076 0.00047 117 5PX -0.00767 0.00383 0.00040 -0.00941 0.00801 118 5PY -0.00275 -0.04257 -0.04340 -0.00085 -0.05618 119 5PZ -0.00222 0.02023 0.03570 -0.00082 0.01045 120 6PX -0.00536 0.00945 -0.00817 0.01183 -0.01461 121 6PY -0.00157 -0.03053 0.04138 -0.00063 0.03881 122 6PZ -0.00064 -0.01150 0.00335 0.00109 0.02526 123 7D 0 -0.00067 0.05914 0.01927 0.00088 -0.09877 124 7D+1 -0.00917 -0.01615 -0.00972 0.00049 0.00674 125 7D-1 -0.00527 -0.04578 -0.08109 0.00754 -0.00093 126 7D+2 0.00916 -0.01384 -0.08123 -0.01157 -0.12241 127 7D-2 -0.01389 0.00439 -0.01496 0.03513 -0.04944 128 8D 0 -0.00084 0.02043 0.00622 0.00068 -0.03521 129 8D+1 -0.00456 -0.00573 -0.00353 0.00097 0.00224 130 8D-1 -0.00188 -0.01595 -0.02942 0.00281 -0.00063 131 8D+2 0.00271 -0.00575 -0.03054 -0.00413 -0.04415 132 8D-2 -0.00299 0.00119 -0.00582 0.01214 -0.01775 133 7 Cu 1S 0.00293 -0.00040 -0.00168 -0.00163 0.00171 134 2S -0.08090 0.09226 -0.02583 -0.02180 0.01277 135 3S -0.07123 0.11900 -0.09681 -0.09754 0.04072 136 4PX 0.01918 -0.01798 0.00497 0.00669 0.00207 137 4PY 0.00660 -0.00295 -0.00677 -0.00367 0.00607 138 4PZ -0.00785 0.00302 -0.00916 0.00537 0.00208 139 5PX -0.04975 0.04767 -0.02980 -0.02743 0.00962 140 5PY -0.02142 0.01644 0.01009 0.00406 -0.02332 141 5PZ 0.01244 -0.01966 0.03222 -0.00351 0.00485 142 6PX 0.04280 -0.00049 -0.02126 -0.00848 0.01677 143 6PY -0.01707 0.01557 0.01626 -0.02340 0.02803 144 6PZ -0.01797 -0.01273 -0.02218 0.01184 -0.01812 145 7D 0 0.04505 -0.05583 -0.00900 0.08436 0.04178 146 7D+1 0.07995 -0.01555 0.12571 -0.06174 0.00478 147 7D-1 0.02820 0.01441 -0.02765 -0.00698 0.02811 148 7D+2 -0.10782 0.08681 -0.01609 -0.05129 -0.04938 149 7D-2 -0.05827 0.00293 0.07555 0.06064 -0.10615 150 8D 0 0.01569 -0.01865 -0.00366 0.02963 0.01604 151 8D+1 0.02938 -0.00610 0.04688 -0.02368 0.00450 152 8D-1 0.01154 0.00507 -0.01057 -0.00049 0.01034 153 8D+2 -0.04041 0.02974 -0.00390 -0.01658 -0.01702 154 8D-2 -0.02474 0.00197 0.02499 0.02134 -0.03846 155 8 Cu 1S -0.00005 -0.00153 -0.00231 0.00000 -0.00117 156 2S 0.00252 0.05845 0.04864 -0.00067 -0.01790 157 3S 0.00944 0.04604 0.06080 -0.00693 -0.07878 158 4PX 0.00160 -0.00425 -0.00343 0.00044 0.00191 159 4PY 0.00128 0.01010 0.00753 0.00008 -0.00811 160 4PZ 0.00065 0.00841 0.00744 -0.00003 0.00119 161 5PX -0.00268 0.01008 0.00729 0.00033 -0.00977 162 5PY -0.00587 -0.02797 -0.02427 0.00077 0.03454 163 5PZ -0.00327 -0.01280 -0.00675 0.00182 0.00668 164 6PX 0.03222 -0.00294 -0.00677 0.00328 0.00127 165 6PY 0.00611 0.01076 -0.00463 0.00239 -0.01358 166 6PZ 0.00551 0.00017 0.02582 -0.00066 0.02228 167 7D 0 -0.00029 0.00185 0.01066 0.00101 0.05200 168 7D+1 0.00215 -0.02683 -0.02652 0.00391 -0.00039 169 7D-1 0.00681 0.06393 0.05783 0.00283 -0.01637 170 7D+2 -0.01466 -0.03424 -0.02697 -0.00435 0.05520 171 7D-2 0.01571 -0.03306 -0.02860 0.00625 0.03566 172 8D 0 -0.00003 0.00129 0.00319 0.00017 0.01770 173 8D+1 0.00053 -0.00971 -0.00954 0.00113 -0.00016 174 8D-1 0.00253 0.02265 0.02033 0.00092 -0.00658 175 8D+2 -0.00522 -0.01180 -0.01077 -0.00149 0.01773 176 8D-2 0.00582 -0.01168 -0.01085 0.00247 0.01206 177 9 C 1S 0.00005 0.01051 0.01214 -0.00032 -0.02848 178 2S 0.00003 -0.02511 -0.02139 0.00061 0.06173 179 3S -0.00096 -0.02443 -0.07309 0.00172 0.09713 180 4PX -0.03090 0.01144 0.01101 -0.01097 -0.02161 181 4PY -0.00554 -0.01852 -0.02746 -0.00121 0.08955 182 4PZ -0.00596 -0.04176 -0.03265 -0.00104 0.02697 183 5PX -0.03379 0.00320 0.00749 -0.01016 0.00042 184 5PY -0.00588 0.00840 -0.00569 -0.00170 0.01047 185 5PZ -0.00644 -0.02435 -0.03486 -0.00119 -0.01604 186 10 O 1S -0.00001 -0.00102 -0.00198 0.00004 0.00487 187 2S 0.00000 0.00427 0.00677 -0.00015 -0.01551 188 3S 0.00024 -0.00195 0.00442 -0.00009 -0.01441 189 4PX 0.09836 -0.01373 -0.01248 0.02754 0.01569 190 4PY 0.01754 -0.01747 0.00779 0.00482 -0.07762 191 4PZ 0.01890 0.08499 0.05937 0.00337 -0.00204 192 5PX 0.05966 -0.00649 -0.00623 0.01658 0.00428 193 5PY 0.01071 -0.01712 -0.00298 0.00305 -0.02845 194 5PZ 0.01150 0.04825 0.03639 0.00206 0.00925 46 47 48 49 50 O O O O O EIGENVALUES -- -0.31851 -0.30826 -0.30658 -0.30601 -0.30247 1 1 Cu 1S -0.00302 0.00022 0.00034 -0.00030 -0.00024 2 2S 0.01339 0.03286 0.05665 -0.06794 0.01177 3 3S -0.36246 0.08234 0.08395 -0.08977 0.01976 4 4PX 0.00106 -0.00792 0.01405 0.00928 0.00858 5 4PY 0.00868 0.02549 -0.00505 0.01725 0.00068 6 4PZ -0.01326 0.00197 0.00593 -0.00215 0.00281 7 5PX -0.01970 0.03360 -0.02900 -0.03046 0.00923 8 5PY 0.05360 -0.09192 -0.01024 -0.02195 0.00366 9 5PZ 0.06852 -0.02850 -0.04523 0.03705 -0.00629 10 6PX 0.00528 0.01241 0.10557 0.06585 0.11700 11 6PY 0.01503 0.04209 -0.00424 0.05279 0.02656 12 6PZ 0.05468 -0.06233 -0.02931 0.06206 0.01663 13 7D 0 -0.29863 -0.00298 -0.02046 0.30501 -0.02026 14 7D+1 0.06105 -0.03395 0.54326 0.20195 0.04621 15 7D-1 0.12230 0.23679 -0.12275 0.34531 0.06447 16 7D+2 -0.06993 0.51111 0.16696 -0.17467 -0.22353 17 7D-2 -0.05638 0.18760 -0.02678 -0.13103 0.58357 18 8D 0 -0.10028 -0.00092 -0.00636 0.10028 -0.00660 19 8D+1 0.02077 -0.01141 0.17966 0.06675 0.01466 20 8D-1 0.03856 0.07875 -0.04034 0.11274 0.02133 21 8D+2 -0.02373 0.16949 0.05680 -0.05794 -0.07364 22 8D-2 -0.01872 0.06249 -0.01071 -0.04501 0.19255 23 2 Cu 1S -0.00197 -0.00244 -0.00080 0.00053 0.00001 24 2S 0.16282 0.00240 -0.03744 0.04366 -0.00155 25 3S 0.29571 -0.14279 -0.15194 0.14921 -0.00794 26 4PX 0.00247 -0.00017 0.00126 0.00636 0.00703 27 4PY -0.01588 -0.00640 0.01313 -0.01590 0.00178 28 4PZ 0.00202 0.00473 0.00019 0.00268 0.00022 29 5PX -0.03135 0.02122 0.03517 -0.00964 0.00911 30 5PY 0.16754 -0.07619 -0.09776 0.10801 -0.00557 31 5PZ 0.00987 -0.05384 -0.01645 0.01275 0.00202 32 6PX -0.00451 -0.00008 -0.03394 -0.02852 0.03374 33 6PY 0.00412 0.00183 -0.00647 -0.00058 0.00760 34 6PZ -0.02348 0.01330 -0.02463 0.01929 0.00502 35 7D 0 0.39167 0.22825 -0.09920 0.14529 0.01672 36 7D+1 -0.06165 -0.07974 -0.01061 -0.08360 0.11129 37 7D-1 -0.28448 0.14173 -0.08158 0.18180 0.05592 38 7D+2 0.08409 0.04180 -0.10026 0.03216 -0.14625 39 7D-2 0.07531 -0.03324 0.12548 0.14508 0.28766 40 8D 0 0.12210 0.06886 -0.02986 0.04368 0.00547 41 8D+1 -0.01821 -0.02523 -0.00338 -0.02520 0.03463 42 8D-1 -0.09230 0.04732 -0.02449 0.05735 0.01766 43 8D+2 0.02786 0.01089 -0.03257 0.00897 -0.04598 44 8D-2 0.02475 -0.01221 0.04139 0.04718 0.09003 45 3 Cu 1S -0.00059 -0.00071 -0.00231 -0.00055 0.00077 46 2S 0.01087 0.04983 -0.06012 -0.03302 -0.00062 47 3S -0.05121 0.09837 -0.22382 -0.09053 -0.02890 48 4PX -0.00720 0.00236 -0.00808 0.00265 -0.00032 49 4PY 0.01799 0.00014 -0.00103 0.00925 -0.00351 50 4PZ 0.00023 -0.01037 0.00741 0.01208 0.00133 51 5PX 0.01842 -0.02310 0.06144 0.01982 0.01561 52 5PY -0.00376 0.01169 -0.01101 0.00472 0.00490 53 5PZ -0.01403 0.02853 -0.04852 -0.02334 0.00394 54 6PX -0.01815 -0.01442 -0.01242 0.02547 -0.00581 55 6PY 0.03744 0.00636 0.00881 -0.01567 0.00170 56 6PZ -0.00076 -0.01987 -0.03464 0.01156 0.00827 57 7D 0 0.02043 0.17104 -0.01792 -0.23966 -0.09067 58 7D+1 0.08077 -0.04824 0.09051 0.06311 0.01542 59 7D-1 -0.06537 0.02001 -0.01039 -0.13800 0.06386 60 7D+2 -0.19460 0.01483 -0.07956 0.09700 -0.07141 61 7D-2 0.22684 -0.01517 0.01061 0.11977 -0.04547 62 8D 0 0.00777 0.05794 -0.00473 -0.08148 -0.02898 63 8D+1 0.02948 -0.01689 0.03317 0.02103 0.00622 64 8D-1 -0.01790 0.00783 -0.00381 -0.04799 0.02327 65 8D+2 -0.06784 0.00352 -0.02923 0.03328 -0.02427 66 8D-2 0.07672 -0.00469 0.00403 0.03773 -0.01690 67 4 Cu 1S -0.00054 -0.00137 0.00092 0.00198 -0.00151 68 2S 0.01289 0.02885 0.05400 0.05960 -0.00138 69 3S -0.04404 0.03558 0.15257 0.21897 -0.00615 70 4PX 0.00006 0.00066 0.00841 -0.00682 0.00103 71 4PY 0.01909 0.00166 -0.00757 0.00045 0.00280 72 4PZ 0.00117 -0.00621 -0.01333 -0.00899 -0.00200 73 5PX -0.00875 -0.00015 0.01757 0.03381 0.01234 74 5PY -0.00718 0.01107 0.01145 0.03202 -0.00451 75 5PZ -0.01739 0.01270 0.04944 0.06283 -0.00811 76 6PX -0.00045 0.01170 0.01550 -0.01694 0.00340 77 6PY 0.04284 0.00791 0.02206 -0.01966 -0.00067 78 6PZ 0.00374 -0.01586 0.00736 0.02393 -0.01646 79 7D 0 -0.02867 0.11141 0.22640 0.06075 0.12197 80 7D+1 -0.06216 -0.04640 -0.16530 0.09335 -0.02757 81 7D-1 -0.18075 -0.01454 0.14607 0.01306 -0.05336 82 7D+2 0.01525 0.01945 -0.09909 0.06319 0.04205 83 7D-2 -0.24412 0.00597 -0.00401 0.05425 0.00919 84 8D 0 -0.01072 0.03766 0.07704 0.02109 0.04035 85 8D+1 -0.02477 -0.01630 -0.05606 0.03496 -0.00751 86 8D-1 -0.05830 -0.00468 0.05027 0.00588 -0.01968 87 8D+2 0.00514 0.00548 -0.03196 0.02137 0.01484 88 8D-2 -0.08462 0.00062 -0.00377 0.01961 0.00196 89 5 Cu 1S -0.00199 -0.00150 0.00477 -0.00022 -0.00046 90 2S 0.05854 0.05556 0.01304 -0.04035 -0.03585 91 3S 0.04470 0.02231 0.13471 -0.06904 -0.10152 92 4PX 0.00925 0.00762 0.00411 -0.00404 -0.00759 93 4PY 0.00324 -0.00909 -0.00473 0.00911 0.00218 94 4PZ 0.00512 0.00568 -0.00578 -0.00413 -0.00218 95 5PX -0.02272 -0.01452 -0.03631 0.02443 0.02794 96 5PY 0.01822 0.01230 0.02141 -0.00523 0.00179 97 5PZ -0.00131 -0.01149 -0.00580 0.01956 0.01592 98 6PX -0.00046 0.00349 -0.00890 -0.00592 -0.01515 99 6PY -0.00007 -0.03262 -0.03138 0.00127 0.00200 100 6PZ -0.00511 0.01311 -0.04420 -0.02292 -0.00806 101 7D 0 -0.02148 -0.01938 -0.07348 0.02385 0.05610 102 7D+1 0.04414 0.08261 -0.09886 -0.04373 -0.03239 103 7D-1 0.01201 -0.09797 0.03862 0.13302 0.06711 104 7D+2 0.03390 -0.00571 0.05650 0.04902 -0.14057 105 7D-2 0.03124 -0.13955 -0.11055 0.17116 0.12897 106 8D 0 -0.00867 -0.00730 -0.02402 0.00907 0.01835 107 8D+1 0.01581 0.03053 -0.03510 -0.01877 -0.01369 108 8D-1 0.00200 -0.03397 0.01341 0.04611 0.02189 109 8D+2 0.01007 -0.00337 0.01946 0.01695 -0.04897 110 8D-2 0.01037 -0.04810 -0.03802 0.05707 0.04148 111 6 Cu 1S 0.00180 -0.00080 -0.00170 0.00188 -0.00013 112 2S -0.05000 -0.06879 0.04569 -0.07169 0.01214 113 3S 0.03808 -0.18220 0.02921 -0.08946 0.02395 114 4PX 0.00326 -0.00382 0.00958 0.00407 -0.00744 115 4PY -0.01544 -0.00531 0.00515 -0.00453 -0.00069 116 4PZ -0.00108 0.01557 -0.00661 0.01485 -0.00375 117 5PX -0.00581 -0.00147 -0.00455 0.00092 0.02491 118 5PY 0.02677 0.04797 -0.01609 0.03042 -0.00006 119 5PZ 0.00752 -0.03359 0.01382 -0.02857 0.01084 120 6PX 0.01297 -0.02272 0.01275 0.02717 -0.02495 121 6PY -0.06937 0.04253 0.02686 -0.01726 -0.00406 122 6PZ 0.00924 0.03831 0.03254 -0.03165 -0.00013 123 7D 0 0.13709 -0.22470 0.02409 -0.15418 0.06501 124 7D+1 -0.01702 0.08435 -0.12435 -0.06240 0.11362 125 7D-1 0.02244 0.12760 -0.06960 0.14553 -0.02551 126 7D+2 0.17431 0.03621 -0.01293 -0.06090 0.03333 127 7D-2 0.06607 -0.04190 0.19415 0.08714 -0.12939 128 8D 0 0.04790 -0.07557 0.00728 -0.05277 0.02304 129 8D+1 -0.00512 0.02911 -0.04438 -0.02289 0.04128 130 8D-1 0.00766 0.04366 -0.02481 0.04978 -0.00836 131 8D+2 0.06457 0.01361 -0.00323 -0.02082 0.01163 132 8D-2 0.02453 -0.01386 0.06648 0.02897 -0.04535 133 7 Cu 1S -0.00194 -0.00045 -0.00104 -0.00456 0.00062 134 2S 0.05889 0.05206 0.04326 -0.00603 0.04639 135 3S 0.05327 0.06217 0.03470 -0.12404 0.12500 136 4PX -0.01099 -0.00565 -0.00187 -0.00149 -0.00786 137 4PY -0.00031 -0.01086 -0.01085 0.00460 -0.00661 138 4PZ 0.00161 0.00101 0.00521 0.00619 -0.00082 139 5PX 0.01549 0.01819 0.01844 -0.02359 0.03740 140 5PY 0.02651 0.02520 0.01115 -0.02921 0.01387 141 5PZ 0.00535 -0.00288 -0.01216 -0.00555 -0.00642 142 6PX -0.00150 0.00954 -0.01311 -0.02935 -0.01251 143 6PY 0.00853 -0.02923 -0.00704 0.01401 -0.01303 144 6PZ 0.00217 0.00768 0.02930 0.03251 0.00027 145 7D 0 -0.03823 -0.05137 -0.04249 -0.00004 -0.05660 146 7D+1 -0.01046 -0.01281 -0.05580 -0.08857 0.05560 147 7D-1 -0.00516 -0.02409 -0.11854 -0.10213 0.00019 148 7D+2 0.05587 -0.06447 -0.15723 0.06967 0.00067 149 7D-2 -0.00244 0.13938 0.12326 -0.04965 0.23003 150 8D 0 -0.01461 -0.01866 -0.01782 -0.00134 -0.02022 151 8D+1 -0.00315 -0.00565 -0.02102 -0.03076 0.01695 152 8D-1 -0.00382 -0.00877 -0.04278 -0.03523 -0.00082 153 8D+2 0.01744 -0.02293 -0.05280 0.02406 0.00392 154 8D-2 -0.00052 0.04777 0.04188 -0.01704 0.07756 155 8 Cu 1S -0.00080 0.00415 -0.00138 0.00256 -0.00041 156 2S 0.02656 -0.06379 0.02162 -0.03965 0.00123 157 3S 0.04712 0.04963 -0.02712 0.05879 -0.01815 158 4PX -0.00223 0.00555 0.00117 0.00290 -0.00688 159 4PY 0.00738 -0.01045 0.00137 -0.00347 -0.00237 160 4PZ 0.00252 -0.01288 0.00598 -0.00854 -0.00031 161 5PX 0.00388 -0.00175 -0.00471 0.00057 0.02182 162 5PY -0.02053 -0.01049 -0.00313 0.00034 0.00932 163 5PZ -0.00630 0.01171 -0.00677 0.00416 0.00575 164 6PX 0.00079 0.01069 -0.02679 -0.01234 -0.03803 165 6PY 0.00833 -0.04217 -0.01211 -0.00238 -0.00835 166 6PZ -0.02084 -0.00789 0.03024 -0.05011 -0.00011 167 7D 0 -0.02011 -0.05463 0.06090 -0.04996 -0.00382 168 7D+1 -0.01394 0.08101 0.01339 0.06926 -0.05524 169 7D-1 0.04422 -0.17174 0.08562 -0.11072 -0.02444 170 7D+2 -0.03806 0.06394 0.01601 -0.02777 0.08971 171 7D-2 -0.03098 0.08266 0.02776 0.00938 -0.10834 172 8D 0 -0.00639 -0.02168 0.02041 -0.01573 -0.00211 173 8D+1 -0.00474 0.02897 0.00603 0.02548 -0.02007 174 8D-1 0.01787 -0.06107 0.03174 -0.04018 -0.00907 175 8D+2 -0.01024 0.02032 0.00402 -0.00814 0.03244 176 8D-2 -0.00950 0.02847 0.00826 0.00355 -0.04045 177 9 C 1S -0.00435 0.00209 -0.00421 0.00561 0.00018 178 2S 0.00246 0.00110 0.01317 -0.01584 -0.00011 179 3S 0.06979 -0.04288 -0.01308 0.00679 -0.00293 180 4PX -0.00180 0.00429 -0.01444 -0.00595 -0.03167 181 4PY 0.01627 0.00559 0.00538 -0.00954 -0.00750 182 4PZ -0.00330 -0.02332 0.01671 -0.03053 -0.00286 183 5PX -0.00709 0.01060 -0.00631 -0.01343 -0.02153 184 5PY 0.02733 -0.02590 -0.01770 0.01145 -0.00565 185 5PZ 0.01598 -0.02430 -0.00629 -0.00157 -0.00404 186 10 O 1S 0.00149 0.00000 0.00071 -0.00090 -0.00002 187 2S -0.00482 0.00195 -0.00174 0.00264 0.00014 188 3S -0.00490 -0.00842 -0.00371 0.00281 -0.00017 189 4PX 0.00178 -0.00713 0.02349 0.01739 0.05646 190 4PY -0.02799 -0.01598 0.00722 -0.00375 0.01294 191 4PZ 0.01114 0.04271 -0.02344 0.04728 0.00497 192 5PX 0.00131 -0.00504 0.01408 0.01329 0.03375 193 5PY -0.01494 -0.00680 0.00849 -0.00631 0.00765 194 5PZ 0.00320 0.02543 -0.00945 0.02301 0.00346 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29886 -0.28982 -0.28830 -0.28700 -0.28374 1 1 Cu 1S -0.00318 0.00025 -0.00008 -0.00032 0.00003 2 2S -0.03279 0.00912 0.00015 -0.01868 -0.00382 3 3S -0.32704 -0.00860 0.00366 0.02409 0.01355 4 4PX 0.00132 -0.00020 0.00371 0.00012 0.00690 5 4PY -0.00143 0.00278 0.00025 -0.00938 0.00177 6 4PZ -0.00679 -0.00040 0.00095 0.00620 0.00221 7 5PX -0.01073 -0.00123 -0.01114 -0.00036 -0.07011 8 5PY -0.00237 0.00366 -0.00322 0.04496 -0.01821 9 5PZ 0.06342 0.00606 -0.00501 -0.02765 -0.02106 10 6PX 0.05315 0.01053 0.02252 0.02990 -0.00959 11 6PY -0.15353 0.03454 0.00845 -0.14663 -0.00389 12 6PZ -0.03945 -0.02747 0.00526 0.02317 0.00451 13 7D 0 -0.20211 -0.08252 0.00076 0.31283 0.05698 14 7D+1 0.04249 0.05487 -0.01062 -0.10834 0.04095 15 7D-1 0.08390 -0.05793 0.02343 -0.05100 0.01628 16 7D+2 0.00989 0.10081 -0.07299 -0.07996 -0.00055 17 7D-2 -0.00593 0.07212 0.14352 -0.03073 0.05411 18 8D 0 -0.06706 -0.02713 0.00006 0.09906 0.01903 19 8D+1 0.01409 0.01794 -0.00411 -0.03427 0.01487 20 8D-1 0.02636 -0.01955 0.00756 -0.01653 0.00537 21 8D+2 0.00231 0.03258 -0.02329 -0.02541 -0.00009 22 8D-2 -0.00198 0.02344 0.04606 -0.00969 0.01674 23 2 Cu 1S 0.00034 -0.00080 0.00005 -0.00089 0.00011 24 2S -0.02815 -0.00440 0.00069 -0.01309 -0.00143 25 3S -0.16154 -0.12323 0.00274 -0.14781 0.00469 26 4PX -0.00032 0.00043 0.00731 -0.00139 -0.01702 27 4PY 0.00053 0.00161 0.00146 0.00529 -0.00280 28 4PZ 0.00010 0.00097 0.00093 0.00436 -0.00207 29 5PX 0.00093 0.00004 -0.03705 0.00488 0.05159 30 5PY -0.01442 -0.03449 -0.00836 -0.03313 0.01229 31 5PZ 0.01030 0.01056 -0.00754 0.00428 0.00541 32 6PX 0.00072 0.00005 -0.01109 0.00745 -0.01176 33 6PY 0.00744 -0.01860 -0.00041 -0.03409 -0.00398 34 6PZ -0.02434 -0.00429 0.00034 -0.01529 -0.00236 35 7D 0 -0.02143 -0.11457 0.00522 0.11276 0.04897 36 7D+1 -0.00744 0.04138 -0.02502 -0.03705 0.10707 37 7D-1 -0.01485 0.09192 -0.01447 0.00438 0.01041 38 7D+2 -0.10184 0.12204 -0.02349 0.02387 0.04168 39 7D-2 -0.03925 0.03654 0.03080 0.01037 -0.13967 40 8D 0 -0.00693 -0.03179 0.00212 0.03327 0.01334 41 8D+1 -0.00194 0.01162 -0.00499 -0.01071 0.02932 42 8D-1 -0.00410 0.02699 -0.00368 0.00135 0.00248 43 8D+2 -0.02943 0.03454 -0.00764 0.00814 0.01321 44 8D-2 -0.01153 0.01040 0.01022 0.00352 -0.04243 45 3 Cu 1S 0.00153 -0.00003 -0.00180 0.00037 0.00088 46 2S 0.07410 0.01737 -0.03832 0.01594 0.04094 47 3S 0.06819 0.09056 -0.12035 0.06554 0.02028 48 4PX 0.00842 0.00424 -0.00651 -0.00369 -0.00307 49 4PY -0.00473 0.00643 0.00651 0.00480 0.00251 50 4PZ 0.00481 0.00130 -0.00238 -0.00486 -0.00731 51 5PX -0.04062 -0.02480 0.04039 0.00117 -0.00012 52 5PY 0.01196 -0.01115 -0.02427 -0.02185 0.00631 53 5PZ -0.00246 0.00916 0.00972 0.01526 0.01348 54 6PX -0.02639 0.00477 -0.00193 -0.05295 -0.01771 55 6PY 0.01795 0.01271 0.01729 0.04599 0.01058 56 6PZ 0.00858 0.01826 -0.02921 -0.02454 -0.04351 57 7D 0 -0.04391 -0.02920 0.25185 0.35025 0.10689 58 7D+1 0.36354 0.18369 0.06137 0.08496 0.18350 59 7D-1 -0.11412 0.13940 -0.11573 -0.06736 -0.29652 60 7D+2 0.10772 0.37020 0.14857 0.04483 -0.06518 61 7D-2 -0.16116 0.36151 0.17960 0.04507 -0.11469 62 8D 0 -0.01357 -0.00929 0.08367 0.11632 0.03339 63 8D+1 0.12282 0.05974 0.02001 0.02921 0.05965 64 8D-1 -0.04022 0.04736 -0.03779 -0.02322 -0.09921 65 8D+2 0.03676 0.12205 0.04984 0.01445 -0.02194 66 8D-2 -0.05545 0.12069 0.05951 0.01518 -0.03699 67 4 Cu 1S 0.00145 0.00025 0.00169 0.00034 -0.00072 68 2S 0.07105 0.02443 0.03661 0.01831 -0.05217 69 3S 0.05826 0.11013 0.09016 0.06628 -0.02140 70 4PX -0.00746 -0.00715 -0.00294 0.00383 -0.00431 71 4PY -0.00727 0.00284 -0.00912 0.00671 -0.00382 72 4PZ 0.00234 -0.00040 0.00034 -0.00428 0.00715 73 5PX 0.03039 0.02856 0.02676 -0.00012 0.00470 74 5PY 0.02362 0.00488 0.03243 -0.02272 -0.00040 75 5PZ 0.00757 0.01675 -0.00308 0.01742 -0.01733 76 6PX 0.00577 -0.01812 -0.00114 0.03749 -0.02810 77 6PY 0.02484 0.00505 -0.02466 0.06517 -0.01563 78 6PZ 0.01659 0.02086 0.02106 -0.00904 0.04123 79 7D 0 -0.21876 -0.13042 -0.18122 0.25678 0.05256 80 7D+1 -0.19071 0.02227 0.05161 -0.23046 0.20962 81 7D-1 -0.13985 0.05438 0.15528 -0.14836 0.28064 82 7D+2 0.05957 0.49616 -0.34522 0.10861 0.12720 83 7D-2 0.26985 -0.03137 0.00659 0.05383 -0.17983 84 8D 0 -0.07278 -0.04261 -0.06079 0.08478 0.01829 85 8D+1 -0.06484 0.00761 0.01693 -0.07693 0.06722 86 8D-1 -0.04856 0.01885 0.05045 -0.05039 0.09309 87 8D+2 0.01943 0.16438 -0.11470 0.03607 0.04220 88 8D-2 0.09275 -0.01196 0.00239 0.01778 -0.05840 89 5 Cu 1S 0.00329 -0.00101 0.00192 0.00093 -0.00022 90 2S 0.02558 0.01882 -0.00334 0.00392 0.05069 91 3S 0.09485 0.04536 0.04901 0.02505 0.08318 92 4PX -0.00226 0.00131 -0.00206 -0.00307 0.00142 93 4PY -0.00375 -0.00285 -0.00197 -0.00104 0.00131 94 4PZ 0.00617 0.00104 0.00119 0.00411 0.00882 95 5PX -0.00838 -0.00692 -0.00668 -0.00963 -0.02057 96 5PY 0.01384 0.00907 0.00673 -0.00431 0.01060 97 5PZ -0.03333 -0.00531 -0.00798 -0.00502 -0.02173 98 6PX -0.02328 -0.01686 -0.00367 0.01151 0.00104 99 6PY 0.00593 -0.01529 -0.00984 0.01121 -0.00042 100 6PZ -0.01690 -0.00007 -0.00716 -0.01817 0.00741 101 7D 0 0.10962 -0.09371 0.11343 0.24182 0.30696 102 7D+1 -0.03772 -0.04068 0.03852 0.04222 0.04876 103 7D-1 -0.08707 -0.02932 -0.10504 -0.16679 -0.04621 104 7D+2 -0.00824 -0.03272 -0.07194 -0.11442 -0.09291 105 7D-2 -0.03289 -0.01498 0.00715 0.05230 0.05685 106 8D 0 0.03793 -0.03272 0.03676 0.08037 0.10385 107 8D+1 -0.01338 -0.01500 0.01414 0.01404 0.01649 108 8D-1 -0.02932 -0.01190 -0.03612 -0.05657 -0.01425 109 8D+2 -0.00317 -0.01193 -0.02485 -0.03680 -0.03049 110 8D-2 -0.01039 -0.00477 0.00162 0.01800 0.01787 111 6 Cu 1S 0.00124 -0.00240 0.00018 -0.00146 0.00001 112 2S 0.07523 -0.06747 0.00612 -0.03089 0.00273 113 3S -0.02106 -0.15428 0.02663 -0.08172 -0.01788 114 4PX -0.00169 0.00234 0.00856 0.00063 0.00018 115 4PY 0.00503 -0.00698 0.00297 -0.00339 -0.00188 116 4PZ 0.00424 -0.00147 0.00226 -0.00083 -0.00237 117 5PX 0.00919 -0.01211 -0.00670 -0.00184 -0.00293 118 5PY -0.01906 0.04797 -0.00978 0.02421 0.00623 119 5PZ -0.02365 0.01483 -0.00292 -0.01544 0.00075 120 6PX -0.01456 0.00182 0.02988 -0.01563 0.00057 121 6PY 0.04921 0.01719 0.00210 0.03502 -0.00547 122 6PZ 0.02418 -0.01647 0.00918 0.04900 -0.01304 123 7D 0 0.08903 0.10570 0.05446 0.18209 -0.01257 124 7D+1 -0.12111 0.01986 0.18806 -0.01799 -0.30242 125 7D-1 0.37514 -0.13813 0.12978 -0.20133 -0.03434 126 7D+2 -0.04521 -0.02809 -0.22405 -0.00600 0.08140 127 7D-2 -0.10360 0.06980 0.45479 0.02928 -0.05321 128 8D 0 0.03183 0.03528 0.01879 0.06157 -0.00537 129 8D+1 -0.04190 0.00709 0.06402 -0.00664 -0.10316 130 8D-1 0.12881 -0.04710 0.04362 -0.06559 -0.01186 131 8D+2 -0.01644 -0.00933 -0.07500 -0.00228 0.02749 132 8D-2 -0.03593 0.02355 0.15133 0.00941 -0.01738 133 7 Cu 1S 0.00343 -0.00137 -0.00172 0.00084 0.00045 134 2S 0.02459 0.02022 0.00314 0.00780 -0.06124 135 3S 0.10421 0.04496 -0.04117 0.03524 -0.10280 136 4PX 0.00125 -0.00108 -0.00224 0.00142 0.00542 137 4PY -0.00302 -0.00291 0.00159 -0.00033 0.00048 138 4PZ 0.00656 0.00032 -0.00171 0.00593 -0.00890 139 5PX 0.01366 0.00536 -0.00311 0.01309 -0.02636 140 5PY 0.01713 0.01093 -0.00981 0.00111 -0.02158 141 5PZ -0.02868 -0.00249 0.00356 -0.00267 0.01826 142 6PX 0.02326 0.01738 -0.00923 -0.00796 0.00044 143 6PY 0.01662 -0.00307 0.00883 0.00869 0.00109 144 6PZ -0.00477 0.01038 0.00514 -0.01888 -0.01124 145 7D 0 0.11813 -0.06365 -0.05139 0.20116 -0.24217 146 7D+1 -0.01029 0.09365 0.05835 -0.15323 0.18939 147 7D-1 -0.06043 0.01934 0.11891 -0.23456 0.12552 148 7D+2 -0.03791 -0.04551 0.05246 -0.04515 -0.00792 149 7D-2 0.04200 -0.00751 0.01246 -0.04518 0.05619 150 8D 0 0.04107 -0.02115 -0.01545 0.06715 -0.08177 151 8D+1 -0.00342 0.03349 0.01936 -0.05026 0.06454 152 8D-1 -0.02042 0.00524 0.04095 -0.07897 0.04093 153 8D+2 -0.01259 -0.01633 0.01902 -0.01400 -0.00317 154 8D-2 0.01325 -0.00294 0.00378 -0.01438 0.01789 155 8 Cu 1S 0.00251 0.00067 -0.00014 0.00063 -0.00003 156 2S 0.05298 -0.02303 -0.00256 -0.01212 0.00874 157 3S 0.19174 -0.00507 -0.00964 0.01222 0.01755 158 4PX -0.00288 0.00064 -0.00431 0.00013 0.00243 159 4PY 0.00006 -0.00096 -0.00095 0.00042 0.00029 160 4PZ 0.01077 -0.00327 -0.00165 -0.00202 0.00322 161 5PX 0.01515 -0.00039 0.02276 -0.00190 -0.00257 162 5PY -0.00952 -0.00114 0.00501 0.00272 -0.00341 163 5PZ -0.04697 0.00890 0.00774 0.00983 -0.00819 164 6PX 0.00286 -0.00211 -0.01917 -0.00283 0.00766 165 6PY -0.04899 -0.00366 -0.00177 -0.00475 0.00271 166 6PZ 0.03522 0.00245 -0.00475 0.01588 0.00178 167 7D 0 0.12021 -0.02736 -0.05487 0.01446 0.11233 168 7D+1 -0.05498 -0.00343 -0.08800 -0.01817 0.06434 169 7D-1 -0.00877 0.03433 -0.02585 0.04173 0.03223 170 7D+2 0.00401 0.02695 0.04046 0.00179 -0.00803 171 7D-2 -0.00090 0.00548 -0.02659 -0.01629 0.01663 172 8D 0 0.04156 -0.01082 -0.01997 0.00461 0.03881 173 8D+1 -0.01900 -0.00147 -0.03307 -0.00625 0.02359 174 8D-1 -0.00358 0.01411 -0.00952 0.01445 0.01111 175 8D+2 0.00226 0.00947 0.01472 0.00000 -0.00262 176 8D-2 0.00013 0.00152 -0.00931 -0.00615 0.00352 177 9 C 1S 0.00299 -0.00197 0.00005 -0.00558 -0.00058 178 2S -0.00765 0.00386 -0.00008 0.01070 0.00125 179 3S -0.00318 0.01263 -0.00086 0.03393 0.00236 180 4PX 0.00197 -0.00205 -0.00633 -0.00331 0.01700 181 4PY -0.01037 0.00645 -0.00172 0.01877 0.00575 182 4PZ 0.00112 -0.00064 -0.00020 -0.00207 0.00120 183 5PX 0.00142 0.00312 0.00165 0.00249 -0.00171 184 5PY -0.00686 -0.00831 0.00017 -0.00305 0.00131 185 5PZ -0.00061 -0.00732 0.00026 -0.01041 -0.00004 186 10 O 1S -0.00060 0.00044 0.00000 0.00105 0.00006 187 2S 0.00265 0.00002 -0.00001 -0.00173 -0.00034 188 3S -0.00185 -0.00779 0.00009 -0.01045 0.00046 189 4PX -0.00164 0.00219 0.01251 0.00159 -0.02788 190 4PY 0.01071 -0.00428 0.00285 -0.01502 -0.00750 191 4PZ -0.00463 0.00222 0.00081 0.00881 -0.00177 192 5PX -0.00009 0.00100 0.00651 0.00027 -0.01256 193 5PY 0.00273 -0.00181 0.00141 -0.00716 -0.00325 194 5PZ -0.00393 0.00129 0.00052 0.00658 -0.00045 56 57 58 59 60 O O O O O EIGENVALUES -- -0.28210 -0.27848 -0.27508 -0.27454 -0.27079 1 1 Cu 1S 0.00092 0.00086 0.00110 0.00472 -0.00029 2 2S -0.01335 0.03533 0.00191 -0.00218 0.00158 3 3S 0.10025 0.01058 0.05454 0.25168 -0.01579 4 4PX -0.00320 0.01000 -0.02374 0.00883 -0.01138 5 4PY 0.00456 -0.03658 -0.00825 -0.01039 -0.00070 6 4PZ 0.00240 -0.00167 -0.00529 -0.00409 -0.00158 7 5PX 0.02592 -0.03899 0.08620 -0.03302 0.05977 8 5PY -0.02992 0.14099 0.03664 0.07165 0.00295 9 5PZ -0.03742 0.00956 0.00759 -0.03817 0.01181 10 6PX -0.01845 -0.01280 -0.07051 0.02289 0.07786 11 6PY -0.00866 0.07069 -0.00901 -0.01433 0.01072 12 6PZ 0.01263 -0.00218 -0.02939 -0.06852 0.01729 13 7D 0 0.12558 0.04388 0.04902 -0.26017 0.05240 14 7D+1 -0.01537 -0.12448 0.29412 -0.00615 0.08151 15 7D-1 -0.03569 0.40836 0.08598 0.12137 -0.00980 16 7D+2 0.16504 -0.03549 -0.02657 0.00470 0.00841 17 7D-2 0.06568 -0.08037 -0.10107 -0.01784 -0.05956 18 8D 0 0.04155 0.01193 0.01546 -0.08015 0.01627 19 8D+1 -0.00564 -0.03922 0.09160 -0.00256 0.02551 20 8D-1 -0.01142 0.13064 0.02771 0.03927 -0.00289 21 8D+2 0.05266 -0.01213 -0.00942 0.00054 0.00213 22 8D-2 0.02125 -0.02615 -0.02965 -0.00665 -0.01741 23 2 Cu 1S 0.00046 -0.00037 -0.00047 -0.00178 0.00011 24 2S -0.00483 -0.03135 0.00009 0.00465 0.00047 25 3S 0.02843 0.00443 -0.01817 -0.09138 0.00483 26 4PX 0.00252 -0.00368 0.01115 -0.00722 -0.01992 27 4PY 0.00271 0.01563 0.00680 0.01906 -0.00512 28 4PZ 0.00419 0.00592 0.00112 -0.00776 -0.00327 29 5PX -0.01290 0.01118 -0.10208 0.02825 0.08704 30 5PY 0.01960 -0.04526 -0.02695 -0.02373 0.01691 31 5PZ -0.02260 0.00039 -0.01040 0.04978 0.01246 32 6PX 0.00727 0.00590 0.02291 0.00512 -0.03082 33 6PY -0.00346 -0.00414 -0.00182 -0.02319 -0.00317 34 6PZ 0.00053 -0.00829 0.00051 -0.02092 -0.00447 35 7D 0 0.06501 0.00583 0.03625 0.12497 -0.00045 36 7D+1 -0.04413 0.01889 0.03214 0.01518 0.04448 37 7D-1 0.05206 -0.02844 -0.02290 -0.21922 -0.00761 38 7D+2 0.04478 0.09466 -0.01696 0.09145 0.04531 39 7D-2 0.03382 0.04626 0.10804 0.03695 -0.16174 40 8D 0 0.01722 0.00332 0.01047 0.03444 -0.00104 41 8D+1 -0.01174 0.00645 0.01051 0.00637 0.00932 42 8D-1 0.01540 -0.01152 -0.00777 -0.06920 -0.00292 43 8D+2 0.01307 0.03119 -0.00413 0.03111 0.01420 44 8D-2 0.01016 0.01555 0.03239 0.01309 -0.04906 45 3 Cu 1S 0.00009 0.00052 -0.00081 0.00138 -0.00112 46 2S -0.04711 0.00487 0.01291 -0.08300 0.00905 47 3S -0.05229 0.05502 0.00273 -0.06113 -0.06691 48 4PX -0.00072 0.00132 -0.00301 -0.00800 0.00204 49 4PY -0.00131 -0.00410 0.00103 0.00408 0.00542 50 4PZ 0.00569 0.00252 -0.00863 0.00422 0.00038 51 5PX 0.00551 -0.01121 0.00706 0.01740 0.00237 52 5PY 0.01696 0.00111 -0.02111 -0.02019 -0.02318 53 5PZ -0.03127 0.00448 0.02299 -0.02626 -0.01516 54 6PX 0.00775 -0.00961 0.01567 0.00733 0.01571 55 6PY -0.00419 0.00738 -0.00395 0.00145 -0.02293 56 6PZ 0.02258 0.00091 0.01772 -0.00665 -0.00164 57 7D 0 -0.01225 0.01646 0.16667 0.02162 -0.03763 58 7D+1 -0.26993 -0.05778 0.19150 -0.14298 -0.08151 59 7D-1 -0.10902 0.29965 0.13268 -0.25919 -0.18773 60 7D+2 0.09778 0.00128 0.03255 0.24271 -0.07129 61 7D-2 0.11557 -0.06486 -0.17224 -0.17457 -0.06196 62 8D 0 -0.00425 0.00636 0.05308 0.00726 -0.01302 63 8D+1 -0.08871 -0.01885 0.06205 -0.04745 -0.02745 64 8D-1 -0.03810 0.09728 0.04380 -0.08505 -0.06189 65 8D+2 0.03291 -0.00020 0.01221 0.08139 -0.02333 66 8D-2 0.03702 -0.01924 -0.05651 -0.05890 -0.01937 67 4 Cu 1S 0.00053 0.00041 0.00129 0.00111 0.00094 68 2S -0.03037 0.01138 -0.04394 -0.07525 0.00346 69 3S -0.05199 0.05621 -0.02066 -0.04374 0.07239 70 4PX 0.00052 -0.00023 -0.00383 0.00593 0.00195 71 4PY 0.00027 -0.00444 -0.00040 0.00561 -0.00556 72 4PZ 0.00340 0.00090 0.00945 0.00366 0.00029 73 5PX -0.00437 0.00832 0.00947 -0.00205 -0.00589 74 5PY 0.01376 0.00328 0.01426 -0.02477 0.02778 75 5PZ -0.02684 0.00984 -0.03127 -0.01996 0.01358 76 6PX -0.00311 0.00417 0.01678 -0.00520 0.00936 77 6PY 0.00108 0.00716 0.00901 0.00085 0.02948 78 6PZ 0.00110 0.00306 -0.01470 -0.00331 0.00509 79 7D 0 0.12212 0.01422 0.05527 0.16503 -0.03640 80 7D+1 0.21331 -0.10176 0.32719 0.06778 -0.14678 81 7D-1 -0.12788 0.29426 -0.08737 -0.02695 0.16130 82 7D+2 -0.02039 -0.01792 -0.00740 0.03059 0.14770 83 7D-2 0.02890 -0.04030 -0.02119 0.32624 -0.11744 84 8D 0 0.03987 0.00537 0.01916 0.05427 -0.01203 85 8D+1 0.07142 -0.03316 0.10598 0.02323 -0.04934 86 8D-1 -0.04394 0.09478 -0.02939 -0.00765 0.05282 87 8D+2 -0.00751 -0.00506 -0.00299 0.01020 0.04830 88 8D-2 0.01111 -0.01477 -0.00673 0.10936 -0.03792 89 5 Cu 1S 0.00073 0.00228 -0.00099 0.00096 -0.00177 90 2S -0.03347 -0.03507 0.05827 -0.01121 0.03034 91 3S -0.04700 0.03465 0.06795 0.01879 -0.07421 92 4PX -0.00049 -0.00528 0.00516 -0.00052 0.00288 93 4PY 0.00125 -0.00099 -0.00487 0.00390 0.00157 94 4PZ -0.00528 -0.00248 0.00406 -0.00025 0.00122 95 5PX 0.01004 -0.01038 -0.01532 -0.00654 0.01675 96 5PY -0.00654 0.00404 -0.01711 -0.00755 -0.00234 97 5PZ 0.01146 0.00410 -0.02236 -0.01515 0.00763 98 6PX 0.00829 -0.01043 -0.01474 -0.00014 0.01267 99 6PY 0.00572 -0.01279 0.00887 -0.00376 -0.00571 100 6PZ -0.00576 -0.00023 0.01536 0.00943 0.00165 101 7D 0 -0.12285 -0.09025 0.00126 -0.03204 0.11556 102 7D+1 0.02870 -0.02707 -0.15195 0.00098 0.10234 103 7D-1 0.08508 -0.01139 -0.20332 0.12531 0.28110 104 7D+2 0.02353 -0.29138 0.03701 -0.03668 0.13310 105 7D-2 -0.05734 -0.03935 -0.20900 -0.02789 -0.07356 106 8D 0 -0.04121 -0.03108 0.00007 -0.00966 0.03943 107 8D+1 0.00930 -0.00881 -0.05166 0.00097 0.03529 108 8D-1 0.02889 -0.00497 -0.06694 0.04251 0.09486 109 8D+2 0.00719 -0.09720 0.01223 -0.01080 0.04605 110 8D-2 -0.02030 -0.01339 -0.06856 -0.00967 -0.02333 111 6 Cu 1S 0.00082 -0.00366 -0.00020 -0.00006 -0.00008 112 2S 0.01160 0.06400 -0.01708 -0.09672 0.00727 113 3S -0.04101 -0.08200 -0.03159 -0.12685 0.00569 114 4PX 0.00453 0.00216 -0.00281 -0.00107 -0.00213 115 4PY -0.00843 0.00257 -0.00135 -0.00447 -0.00040 116 4PZ -0.01056 -0.01121 0.00033 0.00731 -0.00143 117 5PX -0.00904 -0.00661 0.00461 0.01455 0.01872 118 5PY 0.02642 0.01380 0.00421 0.01150 0.00558 119 5PZ 0.01133 0.01743 -0.00995 -0.06003 0.01057 120 6PX 0.02548 -0.00392 -0.00557 -0.00506 0.00938 121 6PY -0.03043 0.01865 0.00677 0.03466 0.00232 122 6PZ -0.06541 0.00691 -0.00331 -0.01109 0.00476 123 7D 0 0.44444 0.14703 0.10840 0.05059 0.15605 124 7D+1 -0.16551 -0.06676 0.24517 -0.04029 0.41927 125 7D-1 0.23322 0.11068 -0.01379 -0.17805 0.10598 126 7D+2 -0.02869 0.09029 -0.02831 -0.24777 -0.06371 127 7D-2 -0.03374 0.03206 -0.21641 -0.03351 -0.08636 128 8D 0 0.14724 0.04821 0.03594 0.01670 0.05152 129 8D+1 -0.05449 -0.02173 0.08101 -0.01367 0.13837 130 8D-1 0.07838 0.03500 -0.00425 -0.05831 0.03508 131 8D+2 -0.01050 0.02898 -0.01044 -0.08443 -0.02104 132 8D-2 -0.01172 0.01040 -0.07062 -0.01231 -0.02794 133 7 Cu 1S 0.00061 0.00192 0.00159 0.00058 0.00174 134 2S -0.01369 -0.02240 -0.06271 0.00572 -0.02960 135 3S -0.02855 0.03586 -0.05261 0.03711 0.07109 136 4PX -0.00013 0.00478 0.00418 -0.00162 0.00369 137 4PY 0.00205 -0.00014 0.00774 0.00058 -0.00085 138 4PZ -0.00205 -0.00010 -0.00259 -0.00007 -0.00029 139 5PX -0.00426 0.00771 -0.01887 0.02139 0.01342 140 5PY -0.00639 0.00421 0.00596 -0.01045 0.01047 141 5PZ 0.00258 0.00494 0.00941 -0.01642 -0.00026 142 6PX -0.00524 0.01356 -0.00420 0.00157 0.00958 143 6PY -0.00274 -0.01254 -0.01487 -0.00451 0.00923 144 6PZ -0.01095 0.00461 -0.01303 0.01052 -0.00058 145 7D 0 -0.03436 -0.08032 -0.13901 -0.02523 -0.04242 146 7D+1 -0.05030 -0.00699 -0.14267 0.05408 0.19721 147 7D-1 0.07123 -0.03421 0.09059 0.04976 -0.26849 148 7D+2 0.00588 -0.25826 0.11985 -0.11523 -0.12501 149 7D-2 -0.00040 -0.10873 -0.20421 0.06596 -0.06757 150 8D 0 -0.01090 -0.02755 -0.04645 -0.00797 -0.01443 151 8D+1 -0.01739 -0.00170 -0.04856 0.01758 0.06690 152 8D-1 0.02499 -0.01226 0.02962 0.01720 -0.09034 153 8D+2 0.00112 -0.08615 0.03993 -0.03747 -0.04450 154 8D-2 0.00003 -0.03597 -0.06642 0.02231 -0.02260 155 8 Cu 1S 0.00125 -0.00433 -0.00006 -0.00037 0.00007 156 2S 0.03755 0.11427 -0.00143 -0.01865 0.00084 157 3S 0.07344 -0.06511 -0.00750 -0.02050 0.00672 158 4PX -0.00271 -0.00535 -0.00394 0.00048 -0.00404 159 4PY -0.00291 0.01382 -0.00003 0.00383 -0.00146 160 4PZ 0.01099 0.00859 -0.00154 -0.00479 -0.00053 161 5PX 0.01090 -0.00210 0.00602 -0.00047 0.01149 162 5PY -0.00879 0.00959 0.00476 0.01711 0.00062 163 5PZ -0.02519 0.00217 -0.00001 -0.00810 0.00278 164 6PX -0.00259 -0.00665 0.00699 -0.00709 -0.02787 165 6PY 0.01126 0.00581 0.00298 0.00945 -0.00848 166 6PZ 0.00528 0.00636 0.00497 0.01972 -0.00610 167 7D 0 0.34740 0.00679 -0.08045 -0.22289 -0.07382 168 7D+1 -0.15371 -0.07459 -0.08263 0.02941 -0.21819 169 7D-1 0.01936 0.06158 -0.03596 0.06448 -0.08949 170 7D+2 0.11889 -0.18684 0.04563 -0.15352 0.11425 171 7D-2 0.04337 -0.12353 -0.12850 -0.06487 -0.06197 172 8D 0 0.11722 0.00267 -0.02727 -0.07428 -0.02600 173 8D+1 -0.05299 -0.02487 -0.02862 0.00918 -0.07606 174 8D-1 0.00627 0.01910 -0.01236 0.02196 -0.03090 175 8D+2 0.03870 -0.06293 0.01544 -0.05134 0.03905 176 8D-2 0.01427 -0.04130 -0.04317 -0.02208 -0.02077 177 9 C 1S -0.00395 -0.00815 -0.00413 -0.01792 0.00139 178 2S 0.00776 0.01911 0.00800 0.03372 -0.00261 179 3S 0.02103 0.02261 0.02379 0.11061 -0.00877 180 4PX -0.00497 -0.00611 -0.01942 -0.00695 0.02709 181 4PY 0.01409 0.02336 0.00680 0.04207 0.00140 182 4PZ -0.00649 0.00773 0.00364 0.03184 0.00271 183 5PX -0.00214 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-0.04732 0.01931 -0.01636 48 4PX 0.00160 0.00750 -0.00544 -0.00389 -0.00083 49 4PY -0.00064 -0.00450 -0.00091 -0.00396 -0.00620 50 4PZ 0.00390 0.00096 0.00478 -0.00367 -0.00357 51 5PX -0.02245 -0.04138 0.02895 0.00531 0.01890 52 5PY 0.00863 0.02808 -0.01134 0.00645 0.01004 53 5PZ -0.01713 -0.01944 -0.03189 0.01624 0.01770 54 6PX -0.02376 -0.04685 -0.01182 -0.00929 0.02660 55 6PY 0.01012 0.02778 -0.00228 0.00543 -0.01226 56 6PZ -0.00721 -0.03528 -0.03027 0.01139 0.00839 57 7D 0 0.20557 0.11313 0.13258 0.04403 -0.14048 58 7D+1 -0.01041 -0.02453 -0.25033 0.07451 -0.06617 59 7D-1 0.13675 0.00004 -0.12811 -0.03735 -0.10451 60 7D+2 0.02477 -0.26446 0.34224 -0.10268 0.11518 61 7D-2 -0.03296 0.16102 -0.20519 0.03799 -0.07378 62 8D 0 0.06751 0.03690 0.04203 0.01341 -0.04470 63 8D+1 -0.00227 -0.00957 -0.07997 0.02485 -0.02230 64 8D-1 0.04702 -0.00060 -0.04083 -0.01149 -0.03277 65 8D+2 0.00899 -0.08607 0.10943 -0.03333 0.03517 66 8D-2 -0.01106 0.05232 -0.06659 0.01268 -0.02237 67 4 Cu 1S 0.00012 0.00023 -0.00027 0.00062 -0.00037 68 2S -0.02774 -0.01430 0.01326 -0.00132 0.00972 69 3S 0.03585 -0.02586 0.04038 -0.02671 -0.01945 70 4PX -0.00223 0.00513 0.00476 0.00601 0.00404 71 4PY -0.00033 0.00714 -0.00220 0.00026 -0.00553 72 4PZ 0.00287 0.00108 -0.00476 0.00501 -0.00162 73 5PX 0.02005 -0.03336 -0.01154 -0.01573 -0.02421 74 5PY 0.01049 -0.04316 0.00844 -0.01621 0.00356 75 5PZ -0.00797 0.00694 0.03250 -0.02740 0.00342 76 6PX 0.01479 -0.04442 -0.01789 0.01071 -0.01804 77 6PY 0.01041 -0.04225 0.00162 0.00769 -0.01444 78 6PZ 0.00301 0.01741 0.02812 -0.01049 -0.00508 79 7D 0 0.15322 -0.09760 -0.15426 0.22637 -0.01616 80 7D+1 -0.13924 0.09775 -0.14653 0.12701 0.19709 81 7D-1 0.12634 0.09655 -0.08965 0.03549 -0.00332 82 7D+2 0.03093 0.07799 -0.03036 0.02375 -0.00068 83 7D-2 0.02513 0.29505 -0.16972 0.27689 0.17518 84 8D 0 0.04953 -0.03245 -0.04995 0.07123 -0.00463 85 8D+1 -0.04705 0.03069 -0.04748 0.04029 0.06319 86 8D-1 0.04327 0.03149 -0.02856 0.01160 -0.00073 87 8D+2 0.01130 0.02594 -0.00921 0.00740 -0.00095 88 8D-2 0.00849 0.09621 -0.05525 0.08904 0.05405 89 5 Cu 1S -0.00078 -0.00164 -0.00023 -0.00085 -0.00020 90 2S 0.00722 0.02241 0.01443 0.05556 -0.01963 91 3S -0.05701 -0.12323 0.00503 0.02231 -0.00741 92 4PX 0.00071 0.00364 0.00265 0.00460 -0.00243 93 4PY 0.00148 0.00057 0.00026 -0.00093 0.00064 94 4PZ -0.00019 -0.00120 0.00111 0.00536 -0.00204 95 5PX 0.02023 0.02270 0.00284 -0.00911 0.00259 96 5PY 0.01451 -0.00617 -0.01783 0.01315 -0.00112 97 5PZ 0.00061 0.01386 -0.02210 -0.01719 0.02137 98 6PX 0.01898 0.02365 -0.00345 0.00378 -0.01653 99 6PY 0.02159 -0.02566 0.00074 0.01325 -0.00894 100 6PZ -0.00015 -0.01983 -0.02455 -0.02092 0.02567 101 7D 0 -0.27825 -0.14481 -0.02924 -0.11535 -0.03143 102 7D+1 0.15089 0.24773 -0.26505 -0.29651 0.28894 103 7D-1 -0.16602 0.09049 0.04101 -0.10396 -0.18355 104 7D+2 0.06965 -0.24823 0.01874 0.12654 -0.19051 105 7D-2 0.30995 -0.28649 -0.16634 0.25672 0.14725 106 8D 0 -0.09255 -0.04769 -0.00825 -0.03816 -0.00974 107 8D+1 0.05086 0.08259 -0.08734 -0.09723 0.09488 108 8D-1 -0.05573 0.02922 0.01400 -0.03410 -0.05932 109 8D+2 0.02189 -0.08221 0.00544 0.04157 -0.06232 110 8D-2 0.10194 -0.09527 -0.05571 0.08449 0.04955 111 6 Cu 1S 0.00087 0.00001 0.00044 0.00076 -0.00141 112 2S -0.03702 -0.00132 0.01005 0.01467 0.03856 113 3S -0.06015 -0.00295 0.06330 0.09648 0.05566 114 4PX 0.00202 -0.00388 0.00438 -0.00351 -0.00226 115 4PY -0.00765 -0.00050 0.00371 0.00291 0.01063 116 4PZ -0.00290 -0.00031 0.00096 -0.00047 0.00011 117 5PX -0.01383 -0.00540 -0.01839 0.01896 0.00935 118 5PY 0.03906 -0.00036 -0.03294 -0.03830 -0.04443 119 5PZ 0.02813 -0.00312 0.00009 0.00851 0.00176 120 6PX -0.01542 -0.01603 -0.00469 0.00104 0.00964 121 6PY 0.04384 0.00086 -0.00856 -0.00612 -0.03707 122 6PZ 0.02470 -0.00137 0.00488 0.01476 -0.00819 123 7D 0 -0.06854 -0.04783 -0.06428 0.05745 -0.08316 124 7D+1 -0.09090 -0.11196 -0.10801 0.15541 0.15093 125 7D-1 0.15984 -0.04218 0.00346 0.10262 0.00909 126 7D+2 -0.22375 0.01297 0.28258 0.32910 0.35865 127 7D-2 -0.11547 0.00021 0.07458 0.11816 0.13263 128 8D 0 -0.02229 -0.01603 -0.02125 0.01872 -0.02570 129 8D+1 -0.02998 -0.03843 -0.03649 0.05103 0.04879 130 8D-1 0.05257 -0.01407 0.00069 0.03343 0.00259 131 8D+2 -0.07320 0.00443 0.09152 0.10621 0.11674 132 8D-2 -0.03789 0.00051 0.02470 0.03767 0.04333 133 7 Cu 1S -0.00082 0.00187 -0.00042 -0.00040 -0.00002 134 2S 0.00878 -0.02632 0.03636 0.03679 -0.02040 135 3S -0.04907 0.11814 0.02371 0.04224 0.00807 136 4PX -0.00140 0.00335 -0.00291 -0.00481 0.00195 137 4PY 0.00122 0.00119 -0.00137 -0.00206 0.00150 138 4PZ -0.00030 0.00243 0.00307 0.00179 -0.00102 139 5PX -0.02092 0.02228 0.00164 0.01802 -0.00241 140 5PY 0.00740 0.01111 0.02221 -0.00197 -0.00284 141 5PZ -0.00717 -0.00457 0.00044 -0.02506 0.01580 142 6PX -0.02379 0.00628 -0.00716 0.00603 0.01165 143 6PY 0.01707 0.02680 0.01528 0.02007 0.00196 144 6PZ -0.00361 0.02702 0.00204 -0.02218 0.02979 145 7D 0 -0.24199 0.28619 0.01158 0.17714 -0.15335 146 7D+1 0.15476 0.19466 0.22557 0.35528 -0.15702 147 7D-1 -0.22064 -0.05286 -0.16875 0.13486 -0.26322 148 7D+2 0.22488 0.25183 0.19830 -0.06087 -0.08832 149 7D-2 -0.11779 -0.05415 -0.16686 0.00046 -0.12026 150 8D 0 -0.08093 0.09491 0.00304 0.05897 -0.04973 151 8D+1 0.05061 0.06502 0.07467 0.11594 -0.05193 152 8D-1 -0.07385 -0.01669 -0.05571 0.04477 -0.08585 153 8D+2 0.07336 0.08382 0.06575 -0.02105 -0.02865 154 8D-2 -0.03891 -0.01854 -0.05518 0.00047 -0.04022 155 8 Cu 1S 0.00094 0.00020 0.00061 0.00053 0.00014 156 2S -0.02147 -0.00440 0.00932 0.02350 -0.02789 157 3S 0.08608 -0.00433 0.05307 0.07882 -0.01524 158 4PX 0.00074 -0.00138 0.00025 -0.00106 0.00109 159 4PY -0.00466 -0.00083 0.00129 0.00301 -0.00283 160 4PZ 0.00131 -0.00061 0.00021 0.00005 -0.00107 161 5PX 0.00383 -0.00940 -0.00622 0.01132 -0.00060 162 5PY -0.01088 0.00102 -0.01705 -0.02005 -0.00675 163 5PZ -0.00459 -0.00040 -0.00597 -0.00603 0.00898 164 6PX 0.00420 -0.02410 -0.00399 -0.00336 0.00095 165 6PY -0.02907 -0.00610 -0.00149 -0.00109 -0.00240 166 6PZ 0.01436 -0.00101 0.00103 0.00333 -0.01110 167 7D 0 0.10979 0.01281 0.03778 -0.07087 -0.01065 168 7D+1 0.00342 0.04879 0.15414 -0.05469 -0.01478 169 7D-1 -0.13314 -0.00754 0.02860 -0.03396 0.25227 170 7D+2 0.04267 0.05991 0.02963 -0.01404 0.18987 171 7D-2 0.05387 -0.13756 -0.09407 0.03878 0.04357 172 8D 0 0.03692 0.00490 0.01281 -0.02452 -0.00431 173 8D+1 0.00171 0.01771 0.05293 -0.01904 -0.00466 174 8D-1 -0.04666 -0.00200 0.01090 -0.01065 0.08504 175 8D+2 0.01395 0.01933 0.00903 -0.00424 0.06448 176 8D-2 0.01837 -0.04508 -0.03069 0.01202 0.01471 177 9 C 1S -0.00366 -0.00020 -0.00187 -0.00202 -0.00021 178 2S 0.00629 0.00027 0.00399 0.00440 0.00174 179 3S 0.02906 0.00179 0.00982 0.01072 -0.00797 180 4PX -0.00481 0.00775 -0.01989 0.00899 0.00267 181 4PY -0.00273 0.00219 -0.00175 0.00241 0.00099 182 4PZ 0.02952 0.00096 0.00638 0.01538 0.00178 183 5PX -0.00119 -0.00329 0.00145 0.00268 0.00007 184 5PY 0.00627 -0.00004 -0.00298 -0.00682 0.00680 185 5PZ 0.00038 0.00006 -0.00353 -0.00652 -0.00254 186 10 O 1S 0.00088 0.00004 0.00054 0.00069 -0.00023 187 2S -0.00247 -0.00014 -0.00100 -0.00093 -0.00042 188 3S -0.00454 -0.00006 -0.00501 -0.00803 0.00579 189 4PX 0.00586 -0.01339 0.02619 -0.01271 -0.00363 190 4PY 0.00848 -0.00318 0.00511 -0.00052 0.00066 191 4PZ -0.04045 -0.00172 -0.00837 -0.02068 -0.00280 192 5PX 0.00277 -0.00718 0.01272 -0.00664 -0.00228 193 5PY 0.00454 -0.00169 0.00285 0.00006 0.00040 194 5PZ -0.01974 -0.00106 -0.00343 -0.00918 0.00034 66 67 68 69 70 O O O O O EIGENVALUES -- -0.26108 -0.25980 -0.25884 -0.25651 -0.25634 1 1 Cu 1S 0.00030 0.00142 0.00049 -0.00197 0.00053 2 2S 0.00019 -0.02890 -0.01166 0.03492 -0.00506 3 3S 0.01987 0.09844 0.03537 -0.12435 0.04234 4 4PX -0.00713 0.00083 -0.00281 -0.00163 0.00276 5 4PY -0.00207 0.00032 -0.00079 0.00712 -0.00133 6 4PZ -0.00173 0.00181 0.00031 -0.00088 -0.00026 7 5PX 0.04483 0.00711 0.00530 -0.00078 -0.01295 8 5PY 0.00570 -0.03848 -0.01026 -0.00846 0.00089 9 5PZ 0.00801 -0.01531 -0.00481 0.00219 0.00077 10 6PX -0.03603 0.02822 -0.00632 -0.07138 0.02371 11 6PY -0.00572 -0.05820 -0.02336 0.23680 -0.05037 12 6PZ -0.00862 -0.01691 -0.01030 0.05063 -0.01195 13 7D 0 0.03546 0.00201 -0.03557 0.06218 0.08204 14 7D+1 0.11820 0.00668 -0.10344 0.06143 0.19541 15 7D-1 0.08109 0.09372 -0.01628 -0.05890 0.04244 16 7D+2 -0.10444 0.01398 0.05275 0.00974 0.01090 17 7D-2 0.18535 -0.00029 -0.07652 -0.01442 -0.10953 18 8D 0 0.01103 0.00054 -0.01084 0.01816 0.02528 19 8D+1 0.03613 0.00166 -0.03160 0.01949 0.05904 20 8D-1 0.02551 0.02910 -0.00493 -0.01769 0.01294 21 8D+2 -0.03296 0.00292 0.01567 0.00468 0.00296 22 8D-2 0.05875 -0.00069 -0.02393 -0.00385 -0.03331 23 2 Cu 1S -0.00025 -0.00062 -0.00022 0.00134 -0.00030 24 2S -0.00142 -0.00596 -0.00375 0.02788 -0.00701 25 3S -0.01153 -0.05838 -0.01830 0.11311 -0.02337 26 4PX 0.00783 -0.00285 -0.00182 0.00077 -0.01102 27 4PY 0.00271 0.00928 0.00329 -0.01151 0.00072 28 4PZ 0.00264 0.00205 0.00122 -0.01560 0.00179 29 5PX -0.04016 0.01009 -0.00482 0.00795 0.05471 30 5PY -0.01206 -0.02035 -0.00746 0.01559 0.00749 31 5PZ -0.01135 0.00581 -0.00122 0.03917 0.00082 32 6PX -0.00251 -0.00213 0.01476 -0.00383 0.00472 33 6PY -0.00223 -0.01438 -0.00274 0.02238 -0.00466 34 6PZ -0.00063 -0.01478 -0.00135 0.01214 -0.00173 35 7D 0 0.00419 0.04699 0.02897 0.03592 -0.06482 36 7D+1 0.00794 0.00523 0.05238 -0.10541 -0.14592 37 7D-1 -0.02733 -0.14546 -0.03214 -0.01332 -0.02515 38 7D+2 0.04551 0.04520 0.00607 -0.20650 0.07084 39 7D-2 -0.07461 0.03846 0.03154 -0.08071 0.04153 40 8D 0 0.00145 0.01317 0.00939 0.00624 -0.01750 41 8D+1 0.00294 0.00144 0.01813 -0.02974 -0.04155 42 8D-1 -0.00813 -0.04571 -0.01017 -0.00270 -0.00774 43 8D+2 0.01354 0.01420 0.00206 -0.06289 0.02158 44 8D-2 -0.02140 0.01253 0.00824 -0.02558 0.01077 45 3 Cu 1S 0.00158 -0.00009 -0.00093 -0.00122 -0.00073 46 2S -0.00576 -0.01629 0.01187 0.01259 -0.01939 47 3S 0.07765 -0.00426 -0.04366 -0.07023 -0.03491 48 4PX 0.00188 -0.00052 -0.00292 0.00578 -0.00221 49 4PY -0.00646 0.00940 -0.00467 0.00010 0.00483 50 4PZ 0.00427 0.00264 -0.00193 0.00459 -0.00024 51 5PX -0.01715 0.00989 0.01777 -0.02167 0.00661 52 5PY 0.02014 -0.05571 0.02507 0.01065 -0.00890 53 5PZ -0.01151 -0.00474 0.00227 -0.04213 0.00375 54 6PX -0.00358 0.00243 0.01839 0.02108 -0.00182 55 6PY 0.02024 -0.02750 0.02737 -0.03433 0.01449 56 6PZ 0.00562 0.00328 0.01470 0.01157 -0.00805 57 7D 0 0.00262 0.08697 -0.13860 0.21691 -0.02064 58 7D+1 -0.12673 0.00962 -0.03229 0.11278 0.02030 59 7D-1 -0.16445 0.35910 -0.24867 -0.03235 -0.05473 60 7D+2 0.00688 0.13913 0.06246 0.09132 0.18515 61 7D-2 0.10050 -0.16348 0.09452 -0.08231 -0.24087 62 8D 0 0.00093 0.02729 -0.04433 0.06941 -0.00559 63 8D+1 -0.04183 0.00257 -0.00879 0.03701 0.00601 64 8D-1 -0.05360 0.11427 -0.07869 -0.00977 -0.01529 65 8D+2 0.00207 0.04407 0.02027 0.02890 0.06036 66 8D-2 0.03387 -0.05457 0.03049 -0.02734 -0.07617 67 4 Cu 1S -0.00150 -0.00043 0.00083 -0.00071 0.00094 68 2S 0.00140 -0.00842 -0.01929 0.01255 0.01197 69 3S -0.07264 -0.01883 0.04097 -0.05684 0.05200 70 4PX 0.00068 -0.00061 -0.00581 -0.00582 0.00189 71 4PY 0.00876 0.00453 0.00736 -0.00295 -0.00399 72 4PZ -0.00352 0.00227 0.00165 0.00165 -0.00103 73 5PX -0.01106 -0.00139 0.02612 0.02509 -0.00587 74 5PY -0.03511 -0.03170 -0.04518 0.01164 0.00148 75 5PZ 0.00738 -0.00915 0.00332 -0.02552 0.00915 76 6PX 0.00516 -0.01494 0.02743 -0.00068 0.00277 77 6PY -0.02350 -0.00638 -0.02816 -0.04423 0.00394 78 6PZ -0.00390 0.00829 -0.00325 0.00537 0.00252 79 7D 0 -0.09678 0.02010 0.06923 0.03090 -0.04701 80 7D+1 -0.17053 0.01948 -0.23244 -0.16716 0.03009 81 7D-1 0.17269 0.16709 0.39550 -0.02050 -0.04305 82 7D+2 0.00390 0.07552 0.00915 0.05300 -0.01078 83 7D-2 0.04738 0.12034 0.02719 0.03751 -0.34861 84 8D 0 -0.03174 0.00589 0.02284 0.00865 -0.01593 85 8D+1 -0.05599 0.00585 -0.07304 -0.05428 0.01041 86 8D-1 0.05628 0.05380 0.12646 -0.00706 -0.01590 87 8D+2 0.00073 0.02318 0.00102 0.01574 -0.00478 88 8D-2 0.01666 0.03957 0.00927 0.01292 -0.11118 89 5 Cu 1S 0.00058 0.00011 -0.00060 0.00086 -0.00005 90 2S -0.03551 -0.03728 0.01255 0.05145 0.00603 91 3S -0.03216 -0.09040 0.02019 0.11508 -0.02598 92 4PX -0.00586 -0.00710 0.00222 0.00546 -0.00165 93 4PY 0.00056 -0.00147 0.00254 -0.00684 -0.00008 94 4PZ -0.00487 -0.00537 0.00408 0.00314 -0.00043 95 5PX 0.02077 0.03587 -0.00834 -0.01968 0.01213 96 5PY -0.01811 0.00773 -0.01744 0.04094 0.00896 97 5PZ 0.01096 0.02592 -0.01911 -0.02419 0.00905 98 6PX 0.01810 0.01426 -0.01316 -0.02261 0.00989 99 6PY 0.00398 0.01232 -0.00248 -0.01049 0.00475 100 6PZ 0.01352 0.01565 -0.00396 0.00641 -0.00526 101 7D 0 -0.06983 0.25531 -0.09426 -0.14500 -0.20473 102 7D+1 0.14477 0.23077 -0.18762 0.07658 0.27620 103 7D-1 -0.26482 0.19689 -0.12100 0.45032 -0.15545 104 7D+2 0.35804 0.39714 -0.11785 -0.21808 -0.15014 105 7D-2 0.04241 0.01128 -0.05940 0.16773 0.17371 106 8D 0 -0.02380 0.08363 -0.03000 -0.04766 -0.06696 107 8D+1 0.04914 0.07634 -0.06180 0.02595 0.09000 108 8D-1 -0.08603 0.06403 -0.03917 0.14859 -0.05079 109 8D+2 0.11948 0.12939 -0.03856 -0.07078 -0.04837 110 8D-2 0.01442 0.00353 -0.01927 0.05675 0.05701 111 6 Cu 1S 0.00000 0.00090 0.00023 0.00074 -0.00019 112 2S -0.00275 -0.01755 -0.00440 0.01766 -0.00440 113 3S -0.00347 0.10355 0.03699 -0.00095 0.00867 114 4PX 0.00125 -0.00016 -0.00008 0.00161 0.00451 115 4PY -0.00026 0.00236 0.00104 0.00218 0.00079 116 4PZ 0.00010 -0.00249 -0.00104 0.00098 0.00134 117 5PX -0.01777 0.00737 -0.01007 -0.00994 -0.01964 118 5PY -0.00372 -0.03547 -0.01404 -0.00547 -0.00527 119 5PZ -0.00474 0.02304 0.00707 0.00003 -0.00563 120 6PX -0.02203 0.01220 -0.02079 0.02562 -0.01029 121 6PY -0.00253 -0.00831 -0.00562 -0.07887 0.01667 122 6PZ -0.00619 -0.00758 -0.00385 -0.06554 0.01591 123 7D 0 -0.01899 0.05364 0.05854 -0.00932 0.05869 124 7D+1 -0.06358 -0.01502 0.13297 0.06930 0.09556 125 7D-1 -0.06007 0.02854 0.00549 0.00352 -0.00335 126 7D+2 0.06272 0.18799 0.11556 0.11388 -0.01668 127 7D-2 -0.14865 0.13918 -0.13997 -0.01252 -0.06973 128 8D 0 -0.00661 0.01797 0.01877 -0.00319 0.01923 129 8D+1 -0.02148 -0.00408 0.04173 0.02234 0.03108 130 8D-1 -0.02010 0.00688 0.00108 0.00188 -0.00070 131 8D+2 0.02082 0.06087 0.03722 0.03732 -0.00645 132 8D-2 -0.04901 0.04523 -0.04420 -0.00368 -0.02022 133 7 Cu 1S -0.00046 -0.00004 0.00057 0.00106 -0.00048 134 2S 0.02968 -0.02703 -0.03842 0.03293 -0.02573 135 3S 0.01885 -0.05531 -0.07436 0.08933 -0.02227 136 4PX -0.00571 0.00516 0.00924 -0.00236 0.00036 137 4PY -0.00176 0.00208 0.00032 -0.00623 0.00273 138 4PZ 0.00266 -0.00069 -0.00432 0.00043 -0.00035 139 5PX 0.01234 -0.02340 -0.04285 0.01092 0.00868 140 5PY 0.01702 -0.01352 0.00324 0.03192 -0.02145 141 5PZ -0.00460 0.00098 0.02093 -0.01530 0.00063 142 6PX 0.02013 -0.01210 -0.02655 0.02345 -0.00323 143 6PY 0.00024 0.00835 0.00234 -0.00739 0.00020 144 6PZ -0.00518 0.00931 0.00621 0.01334 0.00250 145 7D 0 0.10373 0.07919 0.02978 -0.08378 0.36753 146 7D+1 -0.13669 -0.08200 -0.29355 -0.16964 0.13621 147 7D-1 0.25884 0.07455 0.07617 0.38037 0.14050 148 7D+2 -0.26155 0.23498 0.41202 -0.00717 -0.00789 149 7D-2 -0.21771 0.18541 0.18452 -0.22038 0.28907 150 8D 0 0.03560 0.02590 0.00876 -0.02779 0.12024 151 8D+1 -0.04453 -0.02757 -0.09618 -0.05612 0.04430 152 8D-1 0.08423 0.02426 0.02422 0.12467 0.04559 153 8D+2 -0.08815 0.07685 0.13451 -0.00129 -0.00383 154 8D-2 -0.07222 0.06067 0.06082 -0.07329 0.09504 155 8 Cu 1S -0.00011 0.00004 -0.00006 0.00029 -0.00020 156 2S 0.00115 -0.01200 -0.00491 0.01192 -0.00271 157 3S 0.00311 0.00047 -0.00674 -0.03544 -0.00237 158 4PX 0.00022 0.00024 0.00012 -0.00034 -0.00035 159 4PY 0.00023 -0.00023 -0.00027 0.00140 -0.00028 160 4PZ 0.00013 -0.00117 -0.00033 0.00039 -0.00041 161 5PX -0.00106 -0.00074 0.00023 0.00417 0.00631 162 5PY -0.00316 -0.00735 -0.00013 -0.00871 0.00550 163 5PZ -0.00229 0.01086 0.00505 -0.00168 0.00425 164 6PX 0.00229 -0.00823 0.00351 0.00882 -0.00401 165 6PY -0.00019 0.01235 0.00513 0.01943 -0.00349 166 6PZ 0.00078 0.01526 0.00741 -0.05763 0.01451 167 7D 0 0.02545 0.04925 -0.02054 -0.01738 -0.00584 168 7D+1 0.07213 -0.01304 -0.09705 0.07585 -0.02475 169 7D-1 -0.05305 0.11711 0.02172 -0.02950 0.01167 170 7D+2 0.12020 0.03375 0.00744 0.11159 -0.04108 171 7D-2 -0.26159 -0.01128 0.03230 0.07655 0.00220 172 8D 0 0.00856 0.01582 -0.00752 -0.00572 -0.00238 173 8D+1 0.02454 -0.00379 -0.03343 0.02532 -0.00877 174 8D-1 -0.01771 0.03940 0.00694 -0.00985 0.00353 175 8D+2 0.04049 0.01088 0.00269 0.03791 -0.01331 176 8D-2 -0.08892 -0.00411 0.01080 0.02562 -0.00009 177 9 C 1S -0.00165 -0.01189 -0.00442 0.01591 -0.00362 178 2S 0.00342 0.02372 0.00889 -0.03349 0.00752 179 3S 0.00854 0.06686 0.02478 -0.08759 0.02038 180 4PX 0.00130 -0.00685 -0.00544 0.01467 0.01043 181 4PY 0.00484 0.02811 0.01027 -0.04453 0.01254 182 4PZ 0.00184 0.01781 0.00534 -0.00664 0.00405 183 5PX 0.00549 -0.00194 -0.00127 -0.00052 -0.00261 184 5PY 0.00045 0.00473 0.00179 -0.00250 0.00051 185 5PZ 0.00109 0.00656 0.00192 0.00409 -0.00148 186 10 O 1S 0.00038 0.00248 0.00091 -0.00333 0.00075 187 2S -0.00092 -0.00686 -0.00252 0.00833 -0.00189 188 3S -0.00238 -0.01217 -0.00447 0.02005 -0.00448 189 4PX 0.00230 0.00445 0.00387 -0.01242 -0.01506 190 4PY -0.00313 -0.01969 -0.00723 0.03302 -0.01071 191 4PZ -0.00039 -0.01450 -0.00393 -0.00321 -0.00244 192 5PX 0.00046 0.00179 0.00168 -0.00540 -0.00712 193 5PY -0.00131 -0.00728 -0.00276 0.01467 -0.00492 194 5PZ -0.00028 -0.00745 -0.00195 -0.00407 -0.00050 71 72 73 74 75 O O O O O EIGENVALUES -- -0.25543 -0.25391 -0.25310 -0.25279 -0.25050 1 1 Cu 1S -0.00029 0.00139 0.00126 -0.00177 0.00038 2 2S 0.00609 0.02387 0.00415 -0.00594 0.00217 3 3S -0.01810 0.09708 0.08518 -0.11965 0.03369 4 4PX 0.00674 0.00174 0.00630 0.00272 0.00926 5 4PY 0.00216 -0.00417 0.00075 -0.00106 0.00158 6 4PZ 0.00061 -0.00683 -0.00448 0.00873 -0.00017 7 5PX -0.00655 -0.00503 -0.02521 -0.01173 -0.06404 8 5PY -0.00210 0.01677 0.00035 -0.00007 -0.00884 9 5PZ 0.00078 0.02529 0.01989 -0.03648 -0.00574 10 6PX -0.06853 0.02038 0.02646 0.00927 -0.22673 11 6PY 0.02409 -0.02790 0.01560 -0.04792 -0.01290 12 6PZ -0.00190 -0.02452 0.00873 -0.00372 -0.04050 13 7D 0 -0.02872 0.32059 0.09229 -0.08164 0.11983 14 7D+1 -0.12945 -0.11981 0.03159 0.12910 0.25349 15 7D-1 -0.01395 0.13322 -0.12045 0.22966 0.02620 16 7D+2 -0.00438 0.17356 -0.12839 0.24553 -0.11646 17 7D-2 0.08699 0.04615 -0.08614 0.02879 0.02342 18 8D 0 -0.00958 0.10059 0.02920 -0.02625 0.03711 19 8D+1 -0.04200 -0.03733 0.00913 0.04051 0.07774 20 8D-1 -0.00457 0.04220 -0.03708 0.07032 0.00771 21 8D+2 -0.00093 0.05485 -0.04010 0.07788 -0.03564 22 8D-2 0.02754 0.01475 -0.02796 0.00884 0.00625 23 2 Cu 1S 0.00017 0.00005 -0.00029 0.00054 -0.00006 24 2S 0.00412 -0.00872 -0.00782 0.00961 -0.00187 25 3S 0.01532 0.05112 0.00883 -0.00988 0.00703 26 4PX 0.01682 0.00033 0.00048 0.00422 0.00856 27 4PY 0.00151 0.00182 0.00633 -0.00824 0.00343 28 4PZ 0.00080 -0.00115 0.00077 -0.00021 0.00160 29 5PX -0.05835 -0.00848 0.00414 -0.00543 -0.03664 30 5PY -0.00858 0.01594 0.00009 0.00309 -0.00877 31 5PZ -0.00491 0.01402 0.00190 0.00117 -0.00739 32 6PX 0.01915 -0.00022 0.00394 -0.00805 0.03403 33 6PY 0.00596 0.00025 -0.00098 -0.00008 0.00315 34 6PZ 0.00708 -0.01192 -0.01392 0.01682 0.00588 35 7D 0 0.03258 -0.00333 0.00477 -0.01015 0.02349 36 7D+1 0.07727 0.00667 0.00779 -0.01343 0.06839 37 7D-1 0.02056 -0.00048 -0.03986 0.05771 -0.00017 38 7D+2 -0.05502 -0.02670 0.05299 -0.07669 0.00042 39 7D-2 0.02050 -0.00861 0.01688 -0.04577 0.01214 40 8D 0 0.00890 -0.00047 0.00110 -0.00235 0.00689 41 8D+1 0.02219 0.00175 0.00244 -0.00441 0.02043 42 8D-1 0.00663 -0.00086 -0.01215 0.01748 0.00016 43 8D+2 -0.01755 -0.00830 0.01632 -0.02345 -0.00049 44 8D-2 0.00886 -0.00245 0.00505 -0.01376 0.00499 45 3 Cu 1S 0.00074 -0.00170 0.00127 0.00076 0.00221 46 2S -0.02849 -0.01670 -0.02013 0.01364 -0.00055 47 3S -0.00244 -0.07719 0.05570 0.02652 0.13489 48 4PX -0.00291 0.00527 -0.00254 -0.00439 0.00227 49 4PY -0.00044 -0.00144 -0.00724 0.00211 -0.00073 50 4PZ -0.00371 0.00028 -0.00064 -0.00543 0.00776 51 5PX 0.01847 -0.01197 0.00528 0.02188 -0.02353 52 5PY -0.01016 -0.00342 0.04224 -0.01112 -0.00437 53 5PZ 0.03252 -0.00648 0.02436 0.02593 -0.01167 54 6PX 0.00996 0.00417 -0.01289 -0.00174 0.00695 55 6PY -0.01168 0.00666 0.02880 -0.00667 -0.00664 56 6PZ 0.02612 -0.00497 -0.00802 0.00329 0.02789 57 7D 0 -0.33044 -0.12484 -0.00807 -0.08920 0.04927 58 7D+1 0.19415 0.23500 0.09792 -0.05043 -0.29410 59 7D-1 -0.00344 -0.09196 0.00916 0.09082 0.00957 60 7D+2 0.10720 -0.12235 0.20736 0.00031 -0.10731 61 7D-2 -0.07494 -0.13171 0.26552 0.11915 -0.03467 62 8D 0 -0.10644 -0.04006 -0.00220 -0.02858 0.01692 63 8D+1 0.06253 0.07682 0.03030 -0.01604 -0.09564 64 8D-1 -0.00060 -0.02912 0.00401 0.02872 0.00394 65 8D+2 0.03445 -0.04005 0.06616 0.00079 -0.03484 66 8D-2 -0.02399 -0.04265 0.08527 0.03866 -0.01145 67 4 Cu 1S -0.00090 -0.00165 -0.00094 -0.00155 -0.00226 68 2S 0.03126 -0.01946 -0.00638 0.01761 -0.00819 69 3S -0.01461 -0.07088 -0.03201 -0.06709 -0.13677 70 4PX -0.00496 -0.00373 -0.00685 -0.00082 0.00336 71 4PY -0.00097 -0.00325 -0.00117 0.00760 -0.00004 72 4PZ 0.00295 -0.00128 0.00384 -0.00394 -0.00480 73 5PX 0.02907 0.01145 0.03607 0.00696 -0.02112 74 5PY 0.02013 0.00408 0.00062 -0.04238 0.00627 75 5PZ -0.03288 0.00036 -0.02268 -0.00429 -0.00367 76 6PX 0.01226 -0.00727 -0.00199 -0.00287 0.01025 77 6PY 0.00107 0.00531 -0.00563 -0.01899 0.00558 78 6PZ -0.01957 -0.00329 -0.00021 0.00136 -0.02624 79 7D 0 0.39250 -0.23735 0.07255 -0.06835 -0.17794 80 7D+1 -0.10452 -0.12268 -0.05511 -0.04352 -0.16107 81 7D-1 -0.01318 -0.11978 -0.02955 0.06849 -0.10592 82 7D+2 -0.04117 -0.09511 -0.26177 -0.22791 0.19691 83 7D-2 -0.11853 0.09895 0.11536 0.01745 0.11915 84 8D 0 0.12603 -0.07680 0.02323 -0.02293 -0.05875 85 8D+1 -0.03372 -0.04074 -0.01821 -0.01402 -0.05159 86 8D-1 -0.00465 -0.03825 -0.00947 0.02067 -0.03469 87 8D+2 -0.01363 -0.03064 -0.08470 -0.07243 0.06338 88 8D-2 -0.03772 0.03151 0.03713 0.00662 0.03842 89 5 Cu 1S 0.00105 0.00010 0.00046 -0.00063 0.00118 90 2S -0.04197 -0.00856 -0.02307 0.00807 -0.04012 91 3S -0.02752 -0.02883 -0.05768 0.01038 0.06367 92 4PX -0.00657 -0.00577 -0.00293 0.00386 0.00032 93 4PY 0.00420 -0.00022 0.00196 -0.00567 0.00424 94 4PZ -0.00484 0.00116 -0.00505 -0.00130 -0.00760 95 5PX 0.02420 0.03043 0.01345 -0.02050 -0.02738 96 5PY -0.02316 0.00376 -0.01074 0.02543 -0.00729 97 5PZ 0.01623 -0.01286 0.02173 0.01714 0.02677 98 6PX -0.00453 0.01045 0.01421 -0.00785 -0.00552 99 6PY -0.00007 0.00268 -0.02007 0.01960 0.01919 100 6PZ 0.01730 0.00428 0.00176 -0.00227 0.04024 101 7D 0 0.02619 -0.26684 0.06084 0.23064 0.11558 102 7D+1 0.23659 0.12008 0.18459 -0.07177 0.05757 103 7D-1 -0.08496 -0.03067 0.04159 0.00531 -0.18867 104 7D+2 0.01419 0.14188 -0.01209 -0.03733 -0.03379 105 7D-2 -0.27615 -0.00051 -0.16323 0.24829 -0.05379 106 8D 0 0.00972 -0.08690 0.01980 0.07633 0.03645 107 8D+1 0.07640 0.03906 0.06009 -0.02340 0.01839 108 8D-1 -0.02819 -0.00949 0.01323 0.00241 -0.06107 109 8D+2 0.00385 0.04695 -0.00317 -0.01409 -0.01105 110 8D-2 -0.09123 -0.00099 -0.05337 0.08150 -0.02053 111 6 Cu 1S 0.00013 -0.00065 -0.00077 0.00136 -0.00034 112 2S 0.00168 0.00294 0.00930 -0.01250 0.00075 113 3S 0.00015 0.02993 -0.02164 0.04720 -0.00986 114 4PX -0.00383 -0.00513 0.01449 0.00734 -0.00296 115 4PY -0.00048 0.00732 0.00273 0.00090 -0.00015 116 4PZ -0.00049 0.01424 0.00029 0.00611 -0.00107 117 5PX 0.02176 0.02332 -0.07274 -0.03322 0.01344 118 5PY 0.00288 -0.03676 -0.00221 -0.02322 0.00486 119 5PZ 0.00337 -0.06209 -0.00350 -0.02706 0.00487 120 6PX 0.02025 0.00227 -0.03795 -0.00936 0.01291 121 6PY -0.01002 -0.00928 0.00767 -0.01648 -0.00100 122 6PZ -0.00818 -0.00576 0.01133 -0.02057 0.00098 123 7D 0 -0.00157 0.27035 0.01299 0.16517 -0.00325 124 7D+1 -0.02805 -0.04171 0.21489 0.07594 0.03665 125 7D-1 0.01501 -0.26994 0.04823 -0.17446 0.03323 126 7D+2 -0.01858 0.03476 0.19629 -0.14803 0.03984 127 7D-2 0.11862 0.09162 -0.28077 -0.25491 0.00789 128 8D 0 -0.00044 0.08872 0.00305 0.05311 -0.00069 129 8D+1 -0.00910 -0.01394 0.06658 0.02401 0.01255 130 8D-1 0.00534 -0.08753 0.01682 -0.05986 0.01175 131 8D+2 -0.00671 0.01126 0.06354 -0.04651 0.01215 132 8D-2 0.04020 0.02955 -0.09203 -0.08149 0.00306 133 7 Cu 1S -0.00095 0.00018 0.00051 -0.00091 -0.00126 134 2S 0.05535 -0.00787 -0.00436 0.02976 0.03208 135 3S 0.05698 -0.02618 0.01240 0.03943 -0.06162 136 4PX -0.00703 0.00507 -0.00023 -0.00313 0.00029 137 4PY -0.00857 0.00142 0.00495 -0.00643 -0.00198 138 4PZ 0.00285 0.00249 0.00258 0.00409 0.00716 139 5PX 0.02294 -0.02588 0.00301 0.00844 -0.01852 140 5PY 0.04227 -0.00352 -0.02023 0.02834 -0.00892 141 5PZ -0.01296 -0.01909 -0.02169 -0.01257 -0.03811 142 6PX 0.00740 -0.01415 -0.00243 0.00390 0.01309 143 6PY 0.00031 0.00109 -0.00963 0.03380 -0.02378 144 6PZ -0.01391 0.00345 -0.00011 -0.00549 -0.03188 145 7D 0 0.08238 -0.30054 -0.17295 0.12841 -0.15196 146 7D+1 0.17893 0.07610 0.14424 0.17077 0.04880 147 7D-1 0.14573 -0.04274 0.00231 -0.01628 0.20191 148 7D+2 0.11466 0.11257 -0.08531 0.12624 0.02759 149 7D-2 -0.35115 0.08954 0.14069 -0.22136 -0.00464 150 8D 0 0.02538 -0.09796 -0.05723 0.04226 -0.04892 151 8D+1 0.05860 0.02476 0.04788 0.05478 0.01600 152 8D-1 0.04778 -0.01304 0.00109 -0.00550 0.06450 153 8D+2 0.03920 0.03684 -0.02764 0.04079 0.01123 154 8D-2 -0.11527 0.03003 0.04730 -0.07388 -0.00256 155 8 Cu 1S 0.00012 0.00034 -0.00096 0.00113 -0.00036 156 2S 0.00346 -0.00949 0.00800 -0.00976 0.00110 157 3S -0.00413 0.01489 -0.04844 0.06687 -0.03014 158 4PX -0.00012 0.00043 -0.00150 -0.00048 -0.00307 159 4PY 0.00047 0.00238 0.00007 -0.00045 -0.00077 160 4PZ 0.00001 -0.00395 0.00169 -0.00301 -0.00021 161 5PX 0.00205 -0.00010 0.00905 0.01346 0.02073 162 5PY -0.00133 -0.00783 0.01481 -0.01394 0.01157 163 5PZ -0.00059 0.00174 0.00027 0.00854 0.00404 164 6PX 0.00866 -0.00391 0.00809 0.01428 0.04877 165 6PY 0.00575 0.00773 0.00189 0.00320 0.01506 166 6PZ -0.00847 0.00629 0.00809 0.00189 0.00610 167 7D 0 -0.06146 -0.11871 0.16336 0.05280 -0.07819 168 7D+1 -0.11583 0.03453 0.30357 0.15257 -0.19778 169 7D-1 -0.01397 0.05007 -0.07923 0.30396 0.02968 170 7D+2 -0.00910 -0.01700 -0.27263 0.07576 -0.25172 171 7D-2 0.12554 -0.04804 0.02037 0.16900 0.46596 172 8D 0 -0.02051 -0.04176 0.05477 0.01627 -0.02578 173 8D+1 -0.03878 0.01187 0.10052 0.05046 -0.06531 174 8D-1 -0.00454 0.01727 -0.02694 0.10126 0.00956 175 8D+2 -0.00316 -0.00746 -0.08960 0.02456 -0.08272 176 8D-2 0.04229 -0.01687 0.00623 0.05485 0.15348 177 9 C 1S 0.00203 -0.00016 -0.00602 0.00903 -0.00181 178 2S -0.00427 -0.00066 0.01238 -0.01875 0.00395 179 3S -0.01109 0.00532 0.03361 -0.04953 0.00869 180 4PX -0.01790 -0.00108 -0.00494 0.00386 -0.01211 181 4PY -0.00935 -0.00163 0.01399 -0.02175 0.00223 182 4PZ -0.00417 0.00329 0.00840 -0.01298 0.00084 183 5PX -0.00218 -0.00197 -0.00236 0.00064 -0.00504 184 5PY -0.00089 0.01088 0.00267 -0.00217 -0.00053 185 5PZ -0.00005 0.00138 0.00445 -0.00711 0.00012 186 10 O 1S -0.00042 -0.00018 0.00127 -0.00196 0.00040 187 2S 0.00109 -0.00024 -0.00359 0.00537 -0.00113 188 3S 0.00240 0.00448 -0.00578 0.00974 -0.00181 189 4PX 0.02493 0.00101 0.00535 -0.00092 0.01582 190 4PY 0.00911 0.00263 -0.00880 0.01480 -0.00006 191 4PZ 0.00408 -0.00339 -0.00761 0.01262 0.00001 192 5PX 0.01333 0.00041 0.00276 0.00020 0.00972 193 5PY 0.00444 0.00041 -0.00296 0.00521 0.00095 194 5PZ 0.00187 -0.00061 -0.00421 0.00734 0.00033 76 77 78 79 80 O O O O O EIGENVALUES -- -0.24804 -0.24670 -0.24525 -0.24474 -0.24032 1 1 Cu 1S 0.00063 0.00008 -0.00116 0.00008 -0.00047 2 2S -0.01254 -0.00241 0.01198 0.00000 -0.03077 3 3S 0.06147 0.00974 -0.12642 0.00024 0.02846 4 4PX -0.00072 -0.00034 -0.00061 0.00212 -0.00412 5 4PY 0.00677 0.00037 0.00402 -0.00024 0.00940 6 4PZ 0.00033 0.00040 0.00054 0.00007 0.00879 7 5PX 0.01391 -0.01058 0.00993 -0.00393 0.02277 8 5PY -0.04784 -0.00779 -0.03798 0.00537 -0.06384 9 5PZ -0.02053 -0.00721 -0.00992 0.00387 -0.04696 10 6PX 0.03498 -0.13809 -0.00499 0.08280 0.00187 11 6PY 0.05775 -0.00616 0.08579 -0.00020 0.00454 12 6PZ -0.06570 -0.02924 0.02061 0.01793 -0.00265 13 7D 0 0.14697 -0.01883 -0.09072 -0.01568 -0.05298 14 7D+1 -0.08786 -0.10430 -0.01202 -0.03036 -0.07128 15 7D-1 0.02077 0.06178 0.04474 -0.02735 0.26726 16 7D+2 -0.16340 -0.13162 -0.16866 0.02251 -0.12973 17 7D-2 -0.10167 0.26745 -0.10535 0.02068 -0.12646 18 8D 0 0.04439 -0.00609 -0.02922 -0.00472 -0.01686 19 8D+1 -0.02697 -0.03307 -0.00441 -0.00885 -0.02305 20 8D-1 0.00649 0.01926 0.01701 -0.00867 0.08540 21 8D+2 -0.05199 -0.04085 -0.05400 0.00704 -0.04270 22 8D-2 -0.03233 0.08296 -0.03433 0.00676 -0.04087 23 2 Cu 1S -0.00053 -0.00006 -0.00015 0.00007 -0.00035 24 2S 0.00176 0.00092 0.01849 -0.00172 0.02008 25 3S -0.05385 -0.00609 -0.00720 0.00313 -0.04980 26 4PX -0.00148 0.00539 -0.00030 -0.00010 -0.00092 27 4PY 0.00181 0.00147 -0.00206 -0.00010 -0.00138 28 4PZ 0.00388 0.00186 -0.00132 0.00012 -0.00122 29 5PX 0.01318 -0.01785 0.00601 -0.00208 0.01247 30 5PY -0.03090 -0.00993 -0.00983 0.00322 -0.03392 31 5PZ -0.02738 -0.00897 -0.00249 0.00143 -0.00997 32 6PX -0.01114 0.02372 -0.01037 -0.01345 -0.00281 33 6PY -0.01004 0.00152 0.00186 -0.00155 -0.00362 34 6PZ -0.00164 0.00782 0.01494 -0.00663 0.01880 35 7D 0 -0.00286 -0.00754 -0.00242 0.01381 0.02493 36 7D+1 0.02354 -0.01969 0.01664 0.04534 0.01284 37 7D-1 -0.01360 -0.00653 -0.03176 0.01396 -0.04078 38 7D+2 0.08132 0.01502 0.03593 -0.01499 0.05385 39 7D-2 0.03100 0.02962 0.01843 -0.00627 0.02382 40 8D 0 -0.00058 -0.00205 -0.00067 0.00385 0.00661 41 8D+1 0.00683 -0.00559 0.00510 0.01258 0.00418 42 8D-1 -0.00406 -0.00192 -0.01029 0.00439 -0.01231 43 8D+2 0.02408 0.00432 0.01081 -0.00480 0.01704 44 8D-2 0.00925 0.00901 0.00574 -0.00062 0.00748 45 3 Cu 1S -0.00087 -0.00052 0.00113 0.00021 -0.00063 46 2S 0.00614 -0.02899 0.00379 -0.01024 -0.01131 47 3S -0.04289 -0.01153 0.02662 0.02008 -0.02486 48 4PX 0.00491 0.00744 -0.00392 0.00228 -0.00073 49 4PY -0.00145 -0.00238 0.00534 0.00775 0.00359 50 4PZ 0.00474 0.00427 -0.00145 0.00102 -0.00258 51 5PX -0.00745 -0.03865 0.01458 -0.00909 0.00164 52 5PY 0.00025 0.01459 -0.01815 -0.03055 -0.01066 53 5PZ -0.02830 -0.01995 0.00915 0.00514 0.00264 54 6PX 0.01733 0.00289 0.00499 -0.01765 0.00555 55 6PY -0.01150 0.00086 -0.02582 0.01339 -0.01783 56 6PZ -0.00227 -0.00428 0.01597 -0.01612 -0.00097 57 7D 0 0.08315 0.19127 -0.07132 -0.08278 0.01152 58 7D+1 0.01023 0.19475 -0.05929 -0.08054 0.06796 59 7D-1 0.01538 -0.13259 0.07894 -0.04109 -0.03985 60 7D+2 -0.03080 -0.03550 0.01162 -0.19717 0.00339 61 7D-2 0.07571 -0.04681 -0.07793 -0.17133 -0.05758 62 8D 0 0.02638 0.06263 -0.02294 -0.02563 0.00372 63 8D+1 0.00431 0.06119 -0.01939 -0.02596 0.02189 64 8D-1 0.00373 -0.04180 0.02618 -0.01172 -0.01218 65 8D+2 -0.00915 -0.01274 0.00389 -0.06385 0.00085 66 8D-2 0.02606 -0.01536 -0.02591 -0.05551 -0.01803 67 4 Cu 1S -0.00138 0.00023 0.00113 -0.00042 -0.00047 68 2S 0.00058 0.02799 0.00145 0.01336 -0.01414 69 3S -0.03890 0.00500 0.02345 -0.01505 -0.02286 70 4PX -0.00734 0.00650 0.00204 0.00450 -0.00022 71 4PY -0.00404 0.00541 0.00474 -0.00714 0.00145 72 4PZ 0.00352 -0.00147 -0.00018 0.00073 -0.00124 73 5PX 0.02908 -0.03320 -0.00717 -0.01541 0.00446 74 5PY 0.00965 -0.03081 -0.01618 0.02782 -0.00256 75 5PZ -0.02583 0.00334 0.00321 -0.00863 -0.00073 76 6PX -0.01604 -0.00342 -0.00256 -0.01469 0.00532 77 6PY -0.00845 -0.01214 -0.02343 -0.00768 -0.01552 78 6PZ -0.00358 0.00597 0.01442 0.00817 -0.00425 79 7D 0 0.08842 -0.05841 -0.02865 0.06106 0.00210 80 7D+1 -0.09995 0.21685 0.02709 -0.02360 -0.07210 81 7D-1 -0.05679 0.19749 0.09135 -0.00719 -0.05669 82 7D+2 0.01493 -0.00024 -0.01703 0.29270 0.01383 83 7D-2 -0.04690 -0.09221 0.04035 -0.01468 0.07173 84 8D 0 0.02808 -0.02045 -0.00909 0.01929 0.00083 85 8D+1 -0.03172 0.07031 0.00883 -0.00647 -0.02338 86 8D-1 -0.01975 0.06256 0.03034 -0.00379 -0.01808 87 8D+2 0.00633 0.00136 -0.00588 0.09440 0.00453 88 8D-2 -0.01531 -0.02878 0.01328 -0.00406 0.02235 89 5 Cu 1S -0.00074 0.00145 -0.00038 -0.00026 -0.00063 90 2S -0.01582 -0.02228 0.01194 -0.00840 0.00281 91 3S 0.01932 0.08283 0.00597 -0.03922 -0.00900 92 4PX -0.00185 -0.00790 0.00198 0.00071 -0.00114 93 4PY 0.00447 0.00002 0.00378 0.00330 0.00452 94 4PZ 0.00136 0.00484 -0.00027 -0.00050 0.00539 95 5PX 0.00242 0.01521 -0.00561 -0.00020 0.01128 96 5PY -0.01812 0.00762 -0.01506 -0.01383 -0.01884 97 5PZ -0.01362 -0.03294 0.00670 0.00610 -0.01749 98 6PX -0.01500 0.00202 -0.01013 0.00764 0.00123 99 6PY -0.01687 0.01951 -0.01379 -0.01724 0.00066 100 6PZ 0.01301 0.00661 0.00421 -0.01493 -0.00727 101 7D 0 -0.08769 -0.26194 0.05244 -0.00399 -0.07414 102 7D+1 -0.04689 -0.03155 -0.00965 -0.02540 -0.08231 103 7D-1 -0.01548 0.11545 -0.07994 -0.10442 -0.00222 104 7D+2 0.03260 0.19108 -0.05294 -0.02005 0.00343 105 7D-2 -0.17288 -0.10455 -0.08239 -0.00903 -0.10586 106 8D 0 -0.02931 -0.08769 0.01738 -0.00103 -0.02389 107 8D+1 -0.01556 -0.01098 -0.00304 -0.00845 -0.02691 108 8D-1 -0.00561 0.03796 -0.02662 -0.03365 -0.00014 109 8D+2 0.01133 0.06294 -0.01750 -0.00679 0.00092 110 8D-2 -0.05668 -0.03585 -0.02689 -0.00338 -0.03437 111 6 Cu 1S -0.00234 -0.00026 -0.00118 0.00003 0.00270 112 2S -0.03068 -0.00154 0.01491 -0.00143 0.02364 113 3S -0.04687 -0.00274 -0.09360 0.00500 0.13208 114 4PX -0.00053 0.00362 -0.00030 0.00198 0.00421 115 4PY 0.00502 0.00084 -0.00152 0.00105 -0.01291 116 4PZ -0.00048 0.00083 0.00414 0.00037 -0.00693 117 5PX 0.00315 -0.01595 0.00856 -0.01201 -0.02002 118 5PY -0.03031 -0.00479 -0.00297 -0.00436 0.04923 119 5PZ 0.00455 -0.00347 -0.04164 -0.00055 0.04419 120 6PX 0.00518 0.00565 0.01653 -0.02245 -0.00032 121 6PY -0.01266 -0.00626 -0.02730 0.00006 -0.00251 122 6PZ -0.01368 -0.00675 -0.05270 0.00332 0.00520 123 7D 0 -0.10091 0.02523 0.27618 0.11517 -0.23437 124 7D+1 -0.03231 0.04883 -0.05516 0.29293 0.17666 125 7D-1 0.26013 -0.00135 -0.08916 0.14773 -0.32059 126 7D+2 -0.10853 0.00824 0.01784 -0.17933 -0.05210 127 7D-2 -0.10600 -0.07910 0.04778 0.25490 0.07863 128 8D 0 -0.03271 0.00784 0.08963 0.03538 -0.07641 129 8D+1 -0.01015 0.01479 -0.01852 0.09045 0.05726 130 8D-1 0.08345 -0.00080 -0.02737 0.04653 -0.10416 131 8D+2 -0.03310 0.00319 0.00643 -0.05684 -0.01776 132 8D-2 -0.03316 -0.02585 0.01534 0.08253 0.02535 133 7 Cu 1S 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0.02818 153 8D+2 -0.02904 -0.03099 -0.02473 0.02195 -0.02677 154 8D-2 0.05383 -0.02884 0.02578 -0.01589 0.02450 155 8 Cu 1S 0.00047 -0.00002 0.00049 -0.00003 -0.00041 156 2S -0.00390 0.00128 0.07462 -0.00494 -0.02575 157 3S 0.04291 -0.00146 0.19858 -0.01080 -0.05921 158 4PX 0.00083 -0.00530 -0.00566 -0.00566 0.00074 159 4PY -0.00231 -0.00091 0.01252 -0.00233 0.00603 160 4PZ -0.00159 -0.00113 0.01075 -0.00178 -0.01092 161 5PX 0.00082 0.02711 0.02979 0.02141 -0.00269 162 5PY -0.00109 0.00409 -0.06614 0.01124 -0.04128 163 5PZ -0.00440 0.00571 -0.05871 0.00791 0.05899 164 6PX -0.00293 0.03946 0.01549 -0.00069 -0.00532 165 6PY -0.00604 0.01082 -0.02388 0.00072 -0.00595 166 6PZ -0.00058 0.00342 -0.05491 0.00477 0.02353 167 7D 0 -0.22014 0.02649 -0.14434 0.22387 0.55701 168 7D+1 0.10290 0.07680 0.32238 0.51536 -0.16213 169 7D-1 0.50952 0.13893 -0.40357 0.12221 0.01150 170 7D+2 0.36945 -0.18366 0.41352 -0.15144 0.22032 171 7D-2 0.05171 0.41642 0.31403 -0.11223 0.10546 172 8D 0 -0.07252 0.00852 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0.00158 -0.01413 17 7D-2 -0.03697 -0.17976 -0.02822 -0.02510 0.04835 18 8D 0 -0.01778 -0.00184 -0.05105 -0.00147 -0.00155 19 8D+1 -0.00364 -0.02692 0.01171 -0.00652 -0.00624 20 8D-1 0.02332 -0.02678 0.00651 0.03175 0.00214 21 8D+2 0.03734 0.01665 -0.01150 -0.00066 -0.00465 22 8D-2 -0.01269 -0.05829 -0.00882 -0.00840 0.01503 23 2 Cu 1S -0.00066 0.00030 -0.00037 0.00014 0.00013 24 2S -0.14922 0.05739 -0.03076 -0.02873 0.00098 25 3S 0.01573 0.00100 0.01053 -0.10089 -0.00404 26 4PX 0.01074 0.05740 -0.00338 0.00737 -0.05383 27 4PY 0.03548 -0.00226 -0.01034 0.03212 -0.00840 28 4PZ 0.02100 0.00261 0.03968 -0.05764 -0.01175 29 5PX -0.04897 -0.17023 0.01366 -0.01546 0.24994 30 5PY -0.04627 -0.01328 0.01673 -0.18345 0.04302 31 5PZ -0.03627 -0.01741 -0.12850 0.20639 0.05508 32 6PX 0.02796 0.03852 -0.00138 0.02883 -0.37537 33 6PY -0.01597 0.01601 -0.00273 -0.01967 -0.06528 34 6PZ -0.04054 0.02573 0.03323 -0.05836 -0.07528 35 7D 0 0.02485 -0.00310 -0.02991 0.10063 0.02115 36 7D+1 0.02415 0.00589 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0.00367 0.00994 0.05105 -0.21939 -0.05921 86 87 88 89 90 V V V V V EIGENVALUES -- -0.07773 -0.06848 -0.06138 -0.05259 -0.03880 1 1 Cu 1S -0.00565 -0.00011 -0.00588 -0.00519 0.00300 2 2S -0.25708 -0.00633 -0.14234 -0.10245 0.01160 3 3S 0.56195 0.02394 0.02407 0.08176 0.11706 4 4PX 0.00407 0.01321 -0.00298 -0.01214 0.00571 5 4PY -0.01081 0.00095 0.01958 0.04017 0.02411 6 4PZ -0.01741 0.00109 0.00256 0.02127 -0.05588 7 5PX -0.01058 -0.09448 -0.02461 0.03727 -0.02385 8 5PY 0.04841 -0.00915 0.07169 -0.09970 -0.07151 9 5PZ 0.01145 -0.01457 0.00828 -0.09730 0.20312 10 6PX -0.03535 0.03742 -0.10544 -0.09052 0.00167 11 6PY 0.05072 -0.00464 0.33373 0.28285 0.08357 12 6PZ -0.12473 -0.00155 -0.00299 0.01092 -0.05350 13 7D 0 0.03515 0.02820 0.00879 0.04430 -0.03412 14 7D+1 -0.02343 0.08939 0.03031 -0.00356 0.01088 15 7D-1 0.00583 0.00636 -0.07795 0.01832 0.02191 16 7D+2 -0.04392 -0.00011 0.07468 0.07398 0.02033 17 7D-2 -0.01615 -0.05631 0.04766 0.02004 0.00303 18 8D 0 0.01035 0.00719 0.00434 0.01374 -0.01271 19 8D+1 -0.00576 0.02324 0.00891 -0.00052 0.00387 20 8D-1 -0.00072 0.00183 -0.02468 0.00288 0.00779 21 8D+2 -0.01032 -0.00094 0.02297 0.02333 0.00623 22 8D-2 -0.00323 -0.01304 0.01477 0.00737 0.00076 23 2 Cu 1S -0.00335 -0.00025 0.00604 0.00775 0.00052 24 2S -0.11763 -0.00833 0.17884 0.20970 -0.00158 25 3S 0.10380 0.00160 0.17749 0.13577 0.09180 26 4PX -0.00413 -0.00537 0.00560 0.00665 0.00176 27 4PY 0.02212 0.00061 -0.01666 -0.02399 0.00804 28 4PZ 0.01064 -0.00063 -0.01221 -0.01258 -0.01716 29 5PX 0.00066 0.00153 -0.03846 -0.01666 -0.00972 30 5PY -0.02936 -0.00196 0.10347 0.06405 -0.00093 31 5PZ -0.01981 0.00068 0.08460 0.02512 0.05523 32 6PX 0.02982 -0.07492 -0.01783 -0.03188 0.01031 33 6PY -0.05228 -0.01789 0.02279 0.06932 -0.05318 34 6PZ 0.00326 -0.01794 0.11270 0.13312 0.01026 35 7D 0 -0.01512 0.03117 0.02023 -0.04957 -0.09390 36 7D+1 -0.02117 0.09179 -0.03910 0.01025 0.03424 37 7D-1 0.00707 0.02380 0.14110 -0.03220 -0.03371 38 7D+2 -0.09204 -0.02891 -0.01728 -0.07583 -0.00883 39 7D-2 -0.04487 0.02393 -0.04211 -0.02049 0.00525 40 8D 0 -0.00187 0.00612 -0.00262 -0.01307 -0.01999 41 8D+1 -0.00532 0.01761 -0.00876 0.00085 0.00750 42 8D-1 0.00187 0.00455 0.03479 -0.00115 -0.00785 43 8D+2 -0.02152 -0.00567 -0.01278 -0.02090 -0.00161 44 8D-2 -0.01032 0.00494 -0.01308 -0.00727 0.00134 45 3 Cu 1S 0.00485 0.00986 0.00387 -0.00699 0.00017 46 2S 0.02054 0.24818 0.08887 -0.11883 -0.02088 47 3S 0.14462 0.17436 0.09030 -0.12634 0.09305 48 4PX -0.04909 -0.02940 -0.00172 0.01054 0.01849 49 4PY -0.00225 -0.01312 0.03828 0.01491 -0.01190 50 4PZ 0.01483 0.01260 0.02195 -0.01589 0.05746 51 5PX 0.17093 0.14246 0.00859 -0.05258 -0.07324 52 5PY 0.00338 0.05166 -0.12712 -0.01642 0.03923 53 5PZ -0.05173 -0.09059 -0.10798 0.06317 -0.19940 54 6PX 0.09523 0.09769 0.08156 -0.00081 0.06434 55 6PY 0.02307 -0.02792 -0.10024 -0.13911 -0.02870 56 6PZ -0.05546 -0.05343 -0.02004 0.09595 -0.13282 57 7D 0 -0.00452 0.01951 0.00750 0.02464 -0.00952 58 7D+1 -0.07944 0.03891 -0.01099 0.02362 -0.02348 59 7D-1 0.00012 -0.00644 0.01617 0.04852 0.01849 60 7D+2 0.01212 0.04121 0.00325 0.05207 0.01661 61 7D-2 0.01486 0.00220 -0.04973 -0.00991 -0.00137 62 8D 0 -0.00046 0.00370 0.00097 0.00546 -0.00274 63 8D+1 -0.02122 0.00780 -0.00400 0.00810 -0.00790 64 8D-1 -0.00084 -0.00215 0.00496 0.01496 0.00672 65 8D+2 0.00366 0.01211 0.00245 0.01204 0.00503 66 8D-2 0.00458 0.00105 -0.01497 -0.00630 -0.00099 67 4 Cu 1S 0.00501 -0.00917 0.00298 -0.00728 0.00038 68 2S 0.02848 -0.24174 0.07603 -0.12986 -0.01630 69 3S 0.14278 -0.15115 0.05474 -0.13615 0.10324 70 4PX 0.03896 -0.02238 -0.02084 -0.00990 -0.03124 71 4PY 0.01399 0.00317 0.03307 0.01199 -0.02008 72 4PZ 0.03135 -0.01931 0.01769 -0.02000 0.04866 73 5PX -0.13258 0.09849 0.08095 0.03333 0.11570 74 5PY -0.05149 -0.00742 -0.10783 -0.00301 0.06961 75 5PZ -0.11201 0.12537 -0.09318 0.08328 -0.16561 76 6PX -0.06675 0.05123 -0.02747 0.03177 -0.00684 77 6PY -0.01763 0.06584 -0.12070 -0.12177 -0.04705 78 6PZ -0.08696 0.06952 -0.03628 0.08816 -0.14245 79 7D 0 0.04223 0.00319 0.00911 0.00871 0.00435 80 7D+1 0.06262 0.03045 -0.00904 -0.03119 0.01994 81 7D-1 0.02237 0.01254 0.03125 0.04649 0.02772 82 7D+2 -0.00030 -0.04387 -0.02713 0.04638 0.00664 83 7D-2 -0.01399 -0.03637 0.03350 0.02725 0.00039 84 8D 0 0.01189 0.00058 0.00195 -0.00015 0.00186 85 8D+1 0.01701 0.00513 -0.00125 -0.01095 0.00624 86 8D-1 0.00534 0.00275 0.01034 0.01466 0.00983 87 8D+2 0.00067 -0.01174 -0.00731 0.00940 0.00159 88 8D-2 -0.00363 -0.00981 0.01079 0.00834 0.00009 89 5 Cu 1S 0.00969 -0.00974 -0.00597 -0.00200 0.00097 90 2S 0.19024 -0.21022 -0.08187 0.02463 -0.02333 91 3S 0.16831 -0.21685 -0.08144 -0.07031 0.05911 92 4PX -0.05728 0.00758 0.00985 0.01602 0.02553 93 4PY 0.00194 -0.00897 0.02701 0.03216 0.01808 94 4PZ -0.00939 0.03998 0.02351 0.00702 -0.04866 95 5PX 0.25440 -0.07669 -0.04731 -0.03541 -0.11123 96 5PY -0.02273 0.05273 -0.09476 -0.14397 -0.06085 97 5PZ 0.04383 -0.18994 -0.10613 -0.00986 0.17757 98 6PX 0.11641 -0.05037 -0.05701 -0.03465 -0.09730 99 6PY -0.00070 -0.01129 -0.03981 -0.03948 -0.02165 100 6PZ 0.09769 -0.07337 0.00867 0.00872 0.20469 101 7D 0 -0.03560 -0.03265 -0.01968 0.01127 0.02359 102 7D+1 0.04656 0.01218 -0.01493 -0.03370 0.02715 103 7D-1 0.01003 0.02252 -0.02226 -0.01421 -0.02317 104 7D+2 0.03587 0.00713 -0.00283 -0.01283 -0.01873 105 7D-2 -0.01734 -0.01200 -0.03737 -0.03667 -0.00639 106 8D 0 -0.00970 -0.00966 -0.00549 0.00296 0.00844 107 8D+1 0.01574 0.00217 -0.00517 -0.00979 0.00707 108 8D-1 0.00253 0.00576 -0.00779 -0.00442 -0.00785 109 8D+2 0.01243 0.00168 -0.00021 -0.00415 -0.00580 110 8D-2 -0.00462 -0.00461 -0.01209 -0.00954 -0.00206 111 6 Cu 1S 0.00241 -0.00013 -0.00271 0.01138 0.00232 112 2S 0.00537 -0.00496 -0.13456 0.21513 0.00253 113 3S 0.04010 -0.00378 0.01601 0.14613 0.18450 114 4PX 0.00479 -0.03581 0.00520 0.00900 -0.01055 115 4PY -0.03449 -0.00641 -0.01799 -0.05996 -0.00249 116 4PZ 0.01452 -0.00563 -0.00126 0.00706 0.05477 117 5PX -0.01279 0.15698 -0.02762 -0.03474 0.03470 118 5PY 0.11370 0.02813 0.05344 0.28521 0.00092 119 5PZ -0.06964 0.02435 0.04919 -0.06965 -0.17588 120 6PX -0.03202 0.05697 0.02913 0.05016 0.00936 121 6PY 0.11078 0.02147 -0.08505 0.03798 0.07138 122 6PZ 0.03889 0.02040 -0.06805 -0.23271 -0.14213 123 7D 0 -0.00251 0.01273 -0.00544 0.02417 -0.02436 124 7D+1 0.00181 0.03970 0.02462 -0.00158 0.01299 125 7D-1 -0.05046 0.01615 -0.06871 -0.00838 -0.03843 126 7D+2 -0.04823 -0.02814 0.02188 0.01541 -0.00364 127 7D-2 -0.00810 0.04553 0.02568 0.01045 0.00474 128 8D 0 -0.00190 0.00316 -0.00143 0.00939 -0.00572 129 8D+1 0.00066 0.01085 0.00670 -0.00125 0.00360 130 8D-1 -0.01293 0.00420 -0.01705 -0.00365 -0.01261 131 8D+2 -0.01349 -0.00687 0.00815 0.00437 -0.00200 132 8D-2 -0.00237 0.01054 0.00751 0.00312 0.00135 133 7 Cu 1S 0.00840 0.01030 -0.00669 -0.00125 0.00080 134 2S 0.17185 0.22008 -0.08987 0.03856 -0.02670 135 3S 0.12167 0.22493 -0.12249 -0.05909 0.05618 136 4PX 0.05052 0.02179 -0.02665 -0.02565 -0.01211 137 4PY 0.02209 0.01405 0.01961 0.02672 0.01109 138 4PZ 0.01231 -0.03525 0.01487 -0.00213 -0.05452 139 5PX -0.22213 -0.13229 0.10835 0.07466 0.05829 140 5PY -0.10901 -0.09020 -0.06357 -0.13224 -0.02946 141 5PZ -0.05150 0.15429 -0.07078 0.01761 0.20393 142 6PX -0.11906 -0.08549 0.07064 0.03596 0.02407 143 6PY -0.06817 -0.01486 -0.02603 -0.03902 0.00041 144 6PZ 0.03567 0.05371 0.02539 0.01339 0.22573 145 7D 0 -0.05338 0.03156 -0.00294 0.02773 0.00331 146 7D+1 -0.00743 -0.00427 0.02149 0.01168 -0.03147 147 7D-1 0.00952 -0.02411 -0.00550 0.00541 -0.03230 148 7D+2 0.02492 0.00177 -0.03426 -0.04358 -0.01156 149 7D-2 0.04040 -0.00512 0.02913 0.01768 0.00576 150 8D 0 -0.01586 0.00860 -0.00008 0.00774 0.00284 151 8D+1 -0.00337 -0.00231 0.00698 0.00371 -0.00917 152 8D-1 0.00186 -0.00707 -0.00194 0.00079 -0.01014 153 8D+2 0.00921 0.00229 -0.01119 -0.01245 -0.00398 154 8D-2 0.01308 -0.00185 0.00960 0.00437 0.00173 155 8 Cu 1S 0.00248 -0.00002 0.00921 -0.00084 0.00212 156 2S 0.06660 0.00167 0.22603 -0.03694 -0.01997 157 3S -0.10170 -0.00174 0.10181 -0.07426 0.05859 158 4PX 0.00817 -0.00257 0.01773 -0.00002 0.00666 159 4PY -0.02913 0.00019 -0.04800 -0.04781 0.00591 160 4PZ -0.00374 -0.00342 -0.02792 0.04410 -0.03960 161 5PX -0.04267 0.00616 -0.09479 0.00743 -0.01879 162 5PY 0.15482 0.00348 0.25169 0.16494 -0.03456 163 5PZ 0.01609 0.01103 0.15369 -0.18416 0.13642 164 6PX -0.02159 -0.01445 -0.04393 0.00541 -0.02119 165 6PY 0.04131 -0.00778 0.17863 0.14712 -0.02767 166 6PZ 0.08107 0.00903 0.03202 -0.16646 0.13988 167 7D 0 -0.01782 0.01548 -0.00500 -0.06978 0.01864 168 7D+1 -0.00905 0.02802 -0.01042 0.01502 -0.01469 169 7D-1 0.03339 0.00474 0.01877 0.03365 0.04082 170 7D+2 -0.03009 -0.00018 -0.02433 -0.02939 0.01466 171 7D-2 -0.02237 -0.01371 -0.01753 -0.02273 -0.00215 172 8D 0 -0.00431 0.00439 0.00062 -0.02095 0.00618 173 8D+1 -0.00317 0.00729 -0.00387 0.00419 -0.00425 174 8D-1 0.01095 0.00101 0.00619 0.01017 0.01050 175 8D+2 -0.00836 0.00046 -0.00678 -0.01017 0.00424 176 8D-2 -0.00638 -0.00379 -0.00506 -0.00732 -0.00041 177 9 C 1S 0.00508 -0.00028 0.02838 0.02145 0.00223 178 2S -0.01712 0.00042 -0.07612 -0.05029 -0.00741 179 3S -0.02580 0.00184 -0.12156 -0.12828 -0.01000 180 4PX -0.01586 0.17572 -0.03683 0.04153 0.01787 181 4PY 0.01024 0.03022 -0.19943 0.06560 0.06019 182 4PZ -0.07034 0.03655 0.26777 -0.24990 -0.14806 183 5PX -0.01021 0.11542 -0.03234 0.01969 0.00997 184 5PY 0.01331 0.02002 -0.08036 0.06248 0.04824 185 5PZ -0.04523 0.02357 0.17808 -0.14212 -0.09731 186 10 O 1S 0.00130 0.00018 -0.00649 -0.00669 0.00081 187 2S -0.00339 -0.00054 0.01993 0.01912 -0.00260 188 3S -0.00779 -0.00093 0.03090 0.03859 -0.00281 189 4PX 0.01205 -0.11788 0.02355 -0.02715 -0.01050 190 4PY -0.01250 -0.02054 0.13084 -0.03485 -0.03947 191 4PZ 0.04819 -0.02451 -0.17350 0.15696 0.09106 192 5PX 0.00924 -0.09294 0.02234 -0.01913 -0.00860 193 5PY -0.01035 -0.01600 0.08708 -0.03689 -0.03102 194 5PZ 0.03649 -0.01918 -0.14227 0.11976 0.07338 91 92 93 94 95 V V V V V EIGENVALUES -- -0.03106 -0.00654 -0.00295 -0.00073 0.02094 1 1 Cu 1S -0.00009 0.00008 -0.00213 -0.00471 0.00105 2 2S 0.00044 0.00206 -0.04542 -0.10293 -0.08755 3 3S -0.00298 -0.01082 0.01097 -0.35191 -1.38252 4 4PX 0.05119 -0.05359 -0.00195 -0.00882 0.00693 5 4PY 0.01131 -0.00333 -0.04222 0.01757 -0.01657 6 4PZ 0.01109 -0.00933 0.02640 0.03918 -0.01983 7 5PX -0.14159 0.10637 -0.01721 0.02594 -0.04502 8 5PY -0.03855 -0.01050 0.14047 -0.04711 0.11187 9 5PZ -0.03401 0.01471 -0.05039 -0.08610 0.12260 10 6PX 0.65001 0.69866 -0.17310 0.04691 -0.17179 11 6PY 0.04954 -0.00709 0.60523 -0.05739 0.05559 12 6PZ 0.09783 0.09052 0.04514 -0.21312 -0.27030 13 7D 0 0.00504 0.01001 -0.03162 -0.05561 0.01281 14 7D+1 0.01516 0.02948 0.02086 0.00592 0.00021 15 7D-1 0.01781 0.01860 0.02117 0.00302 -0.00979 16 7D+2 -0.02754 -0.04101 0.05075 -0.04223 0.01574 17 7D-2 0.05041 0.06029 0.02450 -0.02409 0.00981 18 8D 0 0.00111 0.00296 -0.01089 -0.01730 0.00364 19 8D+1 0.00408 0.00849 0.00638 0.00247 0.00279 20 8D-1 0.00515 0.00584 0.00511 0.00163 -0.01025 21 8D+2 -0.00785 -0.01134 0.01185 -0.00881 0.00875 22 8D-2 0.01494 0.01801 0.00643 -0.00610 0.00666 23 2 Cu 1S 0.00003 -0.00003 -0.00069 0.00024 0.00208 24 2S -0.00117 -0.00131 -0.03140 -0.00150 0.05726 25 3S -0.01428 0.01725 -0.32916 0.33540 0.82474 26 4PX -0.01351 -0.04148 -0.00687 0.00292 -0.00737 27 4PY -0.00245 -0.00758 0.00094 -0.00082 0.00372 28 4PZ -0.00333 -0.00826 0.00935 0.01051 0.02802 29 5PX 0.03231 0.06054 -0.00031 -0.00367 0.01757 30 5PY 0.00540 0.00413 -0.00173 -0.00804 0.03108 31 5PZ 0.00814 0.00467 0.03746 -0.02214 -0.11606 32 6PX -0.27184 -0.30510 0.05554 -0.05613 -0.23863 33 6PY -0.03862 -0.01709 -0.31092 0.22114 1.51983 34 6PZ -0.06187 -0.07370 0.03579 0.04754 0.32196 35 7D 0 -0.00029 -0.00277 -0.02182 0.02436 -0.00698 36 7D+1 0.00624 -0.01475 -0.01431 0.00392 0.00125 37 7D-1 -0.01567 -0.02989 0.06993 -0.00819 0.03596 38 7D+2 0.02346 0.04415 -0.02488 0.04559 0.01017 39 7D-2 -0.05664 -0.08266 -0.03368 0.02814 -0.00701 40 8D 0 0.00055 -0.00106 -0.00337 0.00345 -0.00740 41 8D+1 0.00270 -0.00423 -0.00283 0.00068 -0.00047 42 8D-1 -0.00221 -0.00756 0.01586 0.00329 0.01393 43 8D+2 0.00345 0.01138 0.00024 0.01047 -0.00378 44 8D-2 -0.00729 -0.02256 -0.00593 0.00565 -0.00507 45 3 Cu 1S 0.00491 -0.00151 -0.00200 -0.00337 0.00075 46 2S 0.06589 0.05748 0.02914 0.06053 0.01006 47 3S 0.08202 0.19059 0.20866 0.04822 -0.36235 48 4PX -0.02199 0.00632 0.04325 0.04211 0.00693 49 4PY 0.02641 0.01805 0.01033 -0.02316 0.03662 50 4PZ 0.01393 -0.03756 0.01175 -0.01160 0.02871 51 5PX 0.12440 -0.10887 -0.17290 -0.15140 -0.05153 52 5PY -0.10524 -0.07885 -0.10666 0.10121 -0.09652 53 5PZ -0.04490 0.12814 -0.00601 0.08470 -0.09822 54 6PX -0.02880 -0.28337 -0.18649 -0.30008 -0.35696 55 6PY -0.08171 -0.11037 -0.21768 0.13488 -0.37084 56 6PZ -0.19424 0.14003 0.08993 0.27050 0.00266 57 7D 0 0.02283 -0.05055 0.02388 0.02563 -0.00369 58 7D+1 -0.00541 -0.01164 -0.00130 -0.02056 -0.03090 59 7D-1 0.03408 0.01915 -0.02974 0.01705 -0.01985 60 7D+2 -0.03078 0.02100 -0.00875 -0.01968 0.01460 61 7D-2 0.02571 0.01725 0.03068 -0.00026 -0.01955 62 8D 0 0.00832 -0.01617 0.00792 0.00787 0.00242 63 8D+1 -0.00214 -0.00381 -0.00109 -0.00483 -0.00942 64 8D-1 0.00732 0.00486 -0.00958 0.00018 -0.00318 65 8D+2 -0.00948 0.00862 -0.00326 -0.00496 0.00623 66 8D-2 0.00623 0.00584 0.00819 -0.00018 -0.00914 67 4 Cu 1S -0.00553 0.00151 -0.00181 -0.00359 0.00101 68 2S -0.07323 -0.05369 0.01435 0.07002 0.00935 69 3S -0.12020 -0.21886 0.13149 0.09688 -0.38326 70 4PX -0.00739 0.00549 -0.04494 -0.02553 -0.02817 71 4PY -0.03750 -0.02136 -0.01025 -0.02849 0.02260 72 4PZ -0.02150 0.03491 0.00314 -0.02794 0.02363 73 5PX 0.06039 -0.10787 0.16583 0.08345 0.10695 74 5PY 0.16034 0.07133 -0.03016 0.11463 -0.03142 75 5PZ 0.08902 -0.15115 0.02618 0.14484 -0.07491 76 6PX -0.10234 -0.25264 0.19619 0.14193 0.50849 77 6PY 0.09342 0.10274 -0.13069 0.19785 -0.18439 78 6PZ 0.18284 -0.22350 0.08330 0.38801 0.10681 79 7D 0 -0.01596 0.03126 0.03027 0.02565 0.01684 80 7D+1 0.02111 -0.03881 -0.00834 -0.00635 0.02888 81 7D-1 -0.01580 -0.01488 -0.04312 0.01908 0.00057 82 7D+2 0.00212 -0.02393 0.00408 -0.01036 -0.01291 83 7D-2 0.04406 0.00793 -0.01595 -0.02540 0.03082 84 8D 0 -0.00674 0.00952 0.00998 0.00779 0.00770 85 8D+1 0.00595 -0.01336 -0.00321 -0.00093 0.00591 86 8D-1 -0.00277 -0.00464 -0.01353 0.00121 0.00347 87 8D+2 0.00199 -0.00855 -0.00037 -0.00290 -0.00399 88 8D-2 0.01163 0.00124 -0.00457 -0.00487 0.01169 89 5 Cu 1S 0.00339 -0.00274 0.00296 0.00361 0.00256 90 2S 0.02635 0.09087 -0.01487 0.03508 0.04070 91 3S -0.05177 0.02963 0.07835 -0.09808 -0.04973 92 4PX -0.02786 0.04890 -0.01982 -0.01657 -0.01754 93 4PY 0.03255 -0.01050 0.02917 -0.00827 -0.00094 94 4PZ 0.02054 0.03400 -0.01353 -0.01332 -0.01854 95 5PX 0.11709 -0.21870 0.08621 0.11540 0.08891 96 5PY -0.14119 0.02741 -0.14823 0.03605 0.05081 97 5PZ -0.07752 -0.14751 0.07651 0.09320 0.11230 98 6PX 0.16726 -0.44043 0.13828 0.16995 0.05983 99 6PY -0.22994 -0.03344 -0.38171 0.09547 0.15151 100 6PZ -0.19462 -0.34390 0.21135 0.25166 0.14027 101 7D 0 -0.03025 -0.01271 -0.00557 -0.00765 -0.02459 102 7D+1 0.01186 -0.00458 -0.02529 -0.04084 -0.00645 103 7D-1 0.00092 -0.00216 0.00387 0.01468 -0.02950 104 7D+2 -0.01166 0.01301 0.01927 0.00276 -0.00024 105 7D-2 -0.02153 0.01056 0.02645 -0.01108 -0.01192 106 8D 0 -0.00797 -0.00273 -0.00316 -0.00145 -0.00539 107 8D+1 0.00182 0.00161 -0.00700 -0.00949 -0.00095 108 8D-1 -0.00067 0.00090 0.00083 0.00413 -0.00747 109 8D+2 -0.00113 0.00448 0.00304 0.00036 0.00194 110 8D-2 -0.00605 0.00313 0.00410 -0.00104 -0.00530 111 6 Cu 1S 0.00017 0.00001 -0.00232 -0.00209 0.00159 112 2S 0.00697 -0.00917 0.09118 0.00520 0.00859 113 3S -0.00246 -0.00382 0.09675 -0.06590 -0.37064 114 4PX 0.04718 0.01353 0.00164 -0.01705 0.01331 115 4PY 0.01112 0.00309 0.03090 0.03927 -0.02952 116 4PZ 0.01130 0.00843 -0.03138 0.03316 -0.01647 117 5PX -0.16757 -0.09071 -0.01287 0.04900 -0.05214 118 5PY -0.03729 -0.01808 -0.12222 -0.10331 0.14716 119 5PZ -0.04323 -0.03716 0.13379 -0.08335 0.05061 120 6PX 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-0.10726 -0.14101 140 5PY 0.16608 -0.06479 -0.19536 -0.00599 -0.00693 141 5PZ 0.11692 0.06200 0.06728 0.02680 0.09502 142 6PX 0.00226 -0.51508 -0.16680 -0.19401 -0.11936 143 6PY 0.25210 -0.05274 -0.48042 0.05091 -0.04495 144 6PZ 0.22079 0.15140 0.17202 0.14692 0.07336 145 7D 0 0.03804 0.00573 0.01407 0.01133 -0.01139 146 7D+1 -0.00171 -0.01924 0.02597 0.03154 0.02375 147 7D-1 -0.00222 0.00338 0.00742 0.02810 -0.01443 148 7D+2 0.02037 -0.01816 0.02026 -0.01393 -0.01368 149 7D-2 -0.00902 0.00152 -0.01365 0.00001 0.01245 150 8D 0 0.00927 0.00275 0.00267 0.00246 -0.00219 151 8D+1 -0.00223 -0.00305 0.00758 0.00717 0.00517 152 8D-1 -0.00069 0.00027 0.00227 0.00722 -0.00369 153 8D+2 0.00462 -0.00613 0.00171 -0.00247 -0.00330 154 8D-2 -0.00459 -0.00076 -0.00356 -0.00112 0.00625 155 8 Cu 1S 0.00000 0.00023 0.00011 0.00481 -0.00251 156 2S -0.00337 -0.01407 0.08378 -0.05081 0.07568 157 3S 0.03192 0.05031 -0.16840 -0.05062 0.39579 158 4PX 0.05472 0.01015 -0.00839 0.01835 -0.01080 159 4PY 0.01383 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-0.06140 0.05633 0.02551 179 3S 0.00642 0.01567 -0.08306 0.08243 0.05318 180 4PX -0.30009 -0.10798 0.00170 0.01038 -0.03280 181 4PY -0.04564 -0.00926 -0.04231 0.06882 -0.02914 182 4PZ -0.06703 -0.01787 -0.04597 -0.01696 0.17336 183 5PX -0.18185 -0.07692 -0.00824 0.01033 -0.00792 184 5PY -0.02797 -0.01348 0.00940 0.02456 -0.09532 185 5PZ -0.04029 -0.01390 -0.02184 -0.00582 0.11112 186 10 O 1S 0.00004 -0.00087 0.00823 -0.00836 -0.02777 187 2S -0.00026 0.00224 -0.02278 0.02180 0.08156 188 3S 0.00034 0.00528 -0.04523 0.05317 0.13628 189 4PX 0.16386 0.07696 0.00393 -0.00636 0.01075 190 4PY 0.02475 0.00895 0.02131 -0.02309 0.01677 191 4PZ 0.03673 0.01378 0.00937 -0.00231 -0.05870 192 5PX 0.13865 0.05640 0.00149 -0.00547 0.01834 193 5PY 0.02131 0.00679 0.01518 -0.02304 -0.00697 194 5PZ 0.03107 0.00990 0.01617 0.00334 -0.07979 96 97 98 99 100 V V V V V EIGENVALUES -- 0.02438 0.02492 0.02681 0.03493 0.03576 1 1 Cu 1S 0.00022 0.00008 0.00011 -0.00176 -0.00135 2 2S 0.07322 0.07947 -0.00349 0.02716 0.01423 3 3S 1.04763 1.17363 -0.07952 0.80518 0.43647 4 4PX -0.00855 0.00149 -0.00536 0.00466 -0.00702 5 4PY 0.00882 0.00884 -0.00111 -0.00884 0.00103 6 4PZ 0.00604 0.00759 -0.00123 0.00440 0.01006 7 5PX 0.05082 0.00138 0.02809 -0.03357 0.04788 8 5PY -0.06487 -0.05512 -0.00610 0.05111 -0.02604 9 5PZ -0.03540 -0.04143 -0.00182 -0.02369 -0.01764 10 6PX 0.19922 -0.00414 1.59597 0.56604 -0.37618 11 6PY 0.00749 -0.10359 0.23486 -0.36599 0.34605 12 6PZ 0.16597 0.10448 0.24863 -0.11880 -0.38259 13 7D 0 -0.01100 -0.01501 0.00220 -0.01057 0.00058 14 7D+1 -0.00283 -0.00079 -0.00899 0.04267 -0.02706 15 7D-1 -0.00120 -0.00870 0.00513 -0.05398 0.02850 16 7D+2 -0.02304 -0.02368 -0.00303 0.04374 0.03040 17 7D-2 -0.01177 -0.00684 0.01492 0.02165 0.01605 18 8D 0 -0.00513 -0.00629 0.00011 -0.00296 -0.00112 19 8D+1 -0.00010 0.00053 -0.00319 0.01120 -0.00559 20 8D-1 -0.00002 -0.00186 -0.00048 -0.01624 0.00611 21 8D+2 -0.00458 -0.00650 0.00221 0.01148 0.01021 22 8D-2 -0.00465 -0.00068 -0.00089 0.00632 0.00440 23 2 Cu 1S -0.00346 -0.00360 0.00031 0.00591 0.00196 24 2S -0.03945 -0.03646 0.00487 0.15967 0.06856 25 3S 0.07000 0.11214 0.03694 1.58558 1.66460 26 4PX 0.02839 -0.02532 0.02022 0.00349 -0.00178 27 4PY -0.01221 -0.02502 0.00420 -0.01417 0.00551 28 4PZ 0.02336 0.01971 0.00379 0.01182 -0.01721 29 5PX -0.11955 0.11618 -0.06381 -0.02757 0.02398 30 5PY 0.02051 0.07598 -0.01531 0.08035 -0.03678 31 5PZ -0.08087 -0.06211 -0.01539 -0.05403 0.07705 32 6PX -0.09071 0.35769 -0.76411 -0.39793 0.09539 33 6PY -0.67692 -0.62708 -0.01237 0.63322 0.50123 34 6PZ -0.33707 -0.33359 -0.09813 0.02053 0.79579 35 7D 0 0.02090 0.00006 -0.01283 0.00871 -0.02167 36 7D+1 0.04579 -0.03282 -0.02995 -0.01173 0.01714 37 7D-1 0.02234 0.01018 0.00207 0.02488 -0.01180 38 7D+2 0.03282 0.05779 -0.00570 -0.01098 0.02147 39 7D-2 0.02423 0.00579 0.03407 -0.00408 0.00370 40 8D 0 0.00439 0.00080 -0.00237 -0.00482 -0.00775 41 8D+1 0.00818 -0.00473 -0.00471 -0.00147 0.00165 42 8D-1 0.00245 0.00212 0.00072 0.01219 0.00210 43 8D+2 0.01042 0.01271 -0.00158 -0.00484 -0.00062 44 8D-2 0.00340 0.00479 0.00686 -0.00391 -0.00088 45 3 Cu 1S -0.00110 -0.00051 0.00315 -0.00399 0.00320 46 2S -0.00109 0.00510 0.04371 -0.04829 0.04503 47 3S 0.37145 0.38554 0.22329 -0.00481 0.61995 48 4PX 0.01181 0.02623 0.00484 0.01099 -0.01646 49 4PY 0.02091 0.02584 -0.03605 0.01227 -0.00294 50 4PZ -0.01044 0.00592 0.01884 -0.02018 0.01132 51 5PX -0.05219 -0.10807 -0.03421 -0.04488 0.11806 52 5PY -0.10672 -0.10023 0.17182 -0.02874 0.01329 53 5PZ 0.06071 -0.02434 -0.08757 0.11077 -0.04652 54 6PX 0.17409 -0.01879 -0.17362 0.04359 1.23388 55 6PY -0.21031 -0.06677 0.33485 0.45857 -0.05397 56 6PZ -0.03635 -0.30142 -0.35082 0.11382 -0.54750 57 7D 0 -0.02067 0.00422 -0.00483 0.03683 0.00181 58 7D+1 -0.00659 0.03337 0.02643 0.00353 0.05497 59 7D-1 -0.03898 -0.00977 -0.00699 0.01990 -0.00857 60 7D+2 -0.04189 0.02491 0.02398 0.01726 -0.01884 61 7D-2 -0.03152 -0.01369 -0.03226 -0.01737 -0.01703 62 8D 0 -0.00461 0.00128 -0.00165 0.00951 0.00225 63 8D+1 0.00007 0.00838 0.00669 0.00260 0.01299 64 8D-1 -0.00971 -0.00103 -0.00279 0.00378 -0.00203 65 8D+2 -0.01153 0.00392 0.00691 0.00549 -0.00312 66 8D-2 -0.00745 -0.00651 -0.00707 -0.00547 -0.00255 67 4 Cu 1S -0.00027 -0.00170 -0.00258 -0.00151 -0.00025 68 2S 0.00426 -0.00338 -0.05006 -0.02069 0.00830 69 3S 0.34079 0.43392 -0.38538 0.21190 0.40277 70 4PX -0.03085 -0.01876 -0.00595 -0.01132 0.01720 71 4PY 0.00886 0.01966 0.03858 0.02185 -0.01639 72 4PZ -0.00286 -0.01789 -0.01374 -0.00706 -0.00565 73 5PX 0.12664 0.08630 0.01271 0.01351 -0.09033 74 5PY -0.03029 -0.09064 -0.17999 -0.08357 0.07293 75 5PZ 0.00748 0.09708 0.05761 0.03304 0.03954 76 6PX 0.09313 -0.08374 -0.05569 -0.44270 -0.65922 77 6PY 0.02854 -0.18817 -0.42316 0.08311 0.04208 78 6PZ -0.25340 -0.04189 0.23527 -0.37652 -0.24982 79 7D 0 -0.01250 -0.01121 0.01361 0.00441 0.00163 80 7D+1 -0.01868 0.00984 0.01717 -0.04483 -0.02234 81 7D-1 -0.00779 -0.02631 -0.00394 0.01167 -0.00920 82 7D+2 0.02240 -0.05602 -0.00491 0.01826 -0.02006 83 7D-2 0.03233 0.01115 -0.03808 0.01480 0.01872 84 8D 0 -0.00365 -0.00346 0.00367 0.00208 0.00050 85 8D+1 -0.00630 0.00087 0.00218 -0.01192 -0.00552 86 8D-1 -0.00016 -0.00698 0.00066 0.00257 -0.00337 87 8D+2 0.00295 -0.01449 -0.00201 0.00339 -0.00064 88 8D-2 0.00801 0.00247 -0.00978 0.00590 0.00448 89 5 Cu 1S 0.00002 -0.00023 0.00302 -0.00032 -0.00172 90 2S -0.03294 -0.03265 0.02659 -0.10406 -0.11218 91 3S -0.15534 -0.15524 0.00088 -1.04202 -1.01857 92 4PX -0.00905 0.01761 0.00698 -0.00795 0.02874 93 4PY -0.06356 0.01532 -0.00040 0.01346 0.00539 94 4PZ -0.00850 -0.00971 -0.04213 0.02863 -0.00965 95 5PX 0.07750 -0.05056 -0.01964 0.08881 -0.08559 96 5PY 0.27942 -0.06811 -0.02189 -0.05723 0.00450 97 5PZ 0.05403 0.06471 0.19372 -0.10998 0.08531 98 6PX 0.37892 0.03512 -0.15131 1.00569 -0.15726 99 6PY 0.81669 -0.18225 -0.57131 -0.46187 0.14158 100 6PZ 0.34467 0.50796 0.18503 -0.10813 1.04924 101 7D 0 -0.00743 -0.01539 -0.00400 0.01349 -0.01448 102 7D+1 -0.01626 -0.02416 -0.00818 -0.02158 -0.00266 103 7D-1 -0.00939 -0.01322 0.02663 -0.01238 0.01337 104 7D+2 -0.03288 -0.00466 0.00662 -0.01637 0.00579 105 7D-2 -0.00291 0.02666 0.00282 0.00208 -0.02474 106 8D 0 -0.00136 -0.00183 0.00265 0.00063 -0.00076 107 8D+1 -0.00457 -0.00733 0.00025 -0.00996 -0.00413 108 8D-1 0.00148 -0.00356 0.00327 -0.00193 -0.00048 109 8D+2 -0.00751 -0.00429 0.00053 -0.00456 -0.00212 110 8D-2 0.00523 0.00380 0.00220 -0.00155 -0.00460 111 6 Cu 1S -0.00089 -0.00014 -0.00009 0.00339 -0.00454 112 2S -0.03213 -0.02907 -0.00266 0.02177 -0.04284 113 3S -0.09434 -0.07633 -0.05676 0.12716 -0.15554 114 4PX 0.03091 -0.01820 -0.03122 -0.00974 0.01889 115 4PY -0.00332 -0.01711 -0.00698 -0.01160 0.01586 116 4PZ -0.00615 -0.01511 -0.00894 0.00532 -0.03083 117 5PX -0.14991 0.08527 0.11376 0.05009 -0.07832 118 5PY 0.03224 0.10893 0.02371 0.06629 -0.09664 119 5PZ 0.02024 0.05911 0.02927 -0.08879 0.15930 120 6PX -0.45957 0.20789 0.33129 -0.06101 -0.23341 121 6PY 0.35841 0.68876 0.01987 1.06873 -0.43930 122 6PZ 0.05423 0.18755 0.09029 0.00623 0.46295 123 7D 0 0.01382 0.01520 0.01705 -0.01509 0.01325 124 7D+1 -0.00451 0.00123 0.05746 -0.00242 -0.00241 125 7D-1 0.01599 0.01568 0.01451 0.04643 -0.03001 126 7D+2 0.01963 0.04300 -0.02795 0.00553 -0.01439 127 7D-2 0.03323 -0.01108 0.03748 -0.00799 0.00187 128 8D 0 0.00437 0.00415 0.00283 -0.00640 0.00250 129 8D+1 -0.00010 -0.00057 0.01074 0.00114 -0.00070 130 8D-1 0.00338 0.00419 0.00304 0.01015 -0.00557 131 8D+2 0.00695 0.01108 -0.00666 0.00179 -0.00221 132 8D-2 0.00553 0.00038 0.01093 -0.00031 -0.00111 133 7 Cu 1S -0.00030 -0.00009 -0.00254 -0.00158 -0.00045 134 2S -0.02491 -0.02916 -0.02328 -0.11902 -0.09587 135 3S -0.05997 -0.08051 -0.05058 -1.03645 -0.96150 136 4PX -0.02236 0.03073 -0.00669 -0.01884 -0.00920 137 4PY 0.01494 -0.05262 0.00107 0.01043 0.00177 138 4PZ -0.01796 0.00059 0.03609 0.01185 0.00446 139 5PX 0.07370 -0.16974 0.02060 0.02326 -0.01105 140 5PY -0.07022 0.22159 0.02633 -0.05048 -0.00977 141 5PZ 0.08866 0.00082 -0.16090 -0.04203 -0.01040 142 6PX -0.01944 -0.77357 -0.24659 -0.63496 -0.34387 143 6PY -0.25042 0.62970 0.48302 -0.38832 -0.42271 144 6PZ 0.48685 0.20520 -0.26534 0.21094 0.20289 145 7D 0 0.00450 0.00051 0.00341 0.00686 0.01068 146 7D+1 0.02832 0.01485 -0.00082 0.02147 -0.01662 147 7D-1 -0.00712 -0.01013 -0.02811 -0.01762 0.03334 148 7D+2 0.00668 -0.03320 -0.00994 -0.01647 -0.01009 149 7D-2 -0.01846 -0.02180 0.01212 -0.00551 0.00749 150 8D 0 0.00286 0.00046 -0.00101 0.00408 0.00356 151 8D+1 0.00552 0.00370 0.00214 0.00736 -0.00005 152 8D-1 -0.00235 -0.00028 -0.00286 -0.00112 0.00472 153 8D+2 -0.00324 -0.00385 -0.00363 -0.00817 -0.00438 154 8D-2 -0.00436 -0.00950 0.00252 -0.00201 0.00031 155 8 Cu 1S -0.00162 -0.00239 0.00024 -0.00112 0.00054 156 2S -0.07534 -0.09903 0.01976 0.03152 0.01227 157 3S -0.44411 -0.56119 0.17807 0.26766 -0.25556 158 4PX 0.02170 -0.02436 0.04188 0.00054 -0.00731 159 4PY 0.00082 -0.00348 0.00736 0.03034 -0.01412 160 4PZ 0.02575 0.01514 0.01183 -0.01614 0.02651 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25 3S 0.28027 0.95070 -0.03579 0.39449 -0.13348 26 4PX 0.00361 0.00179 0.00386 0.00626 0.02068 27 4PY 0.00771 -0.00178 0.00120 -0.00194 0.00698 28 4PZ -0.01080 -0.01402 0.00393 -0.01695 0.00679 29 5PX -0.03381 0.01953 0.01217 -0.03965 -0.01200 30 5PY -0.05667 -0.03436 -0.01408 0.11593 -0.04547 31 5PZ 0.03521 -0.04172 -0.01625 0.10197 -0.02806 32 6PX -0.66751 -0.11135 0.01883 -0.04870 -2.18606 33 6PY -0.07796 0.40423 0.00412 0.45416 -0.15519 34 6PZ 0.20864 0.48627 0.15612 -1.11891 -0.34655 35 7D 0 -0.01628 0.01435 0.01410 0.00022 -0.00143 36 7D+1 0.00085 0.00710 0.03970 0.00622 -0.00354 37 7D-1 -0.01263 -0.03228 0.00700 -0.01176 0.00168 38 7D+2 0.01192 0.02374 -0.00156 -0.01667 -0.00249 39 7D-2 0.01677 0.01342 -0.01361 -0.00469 0.00337 40 8D 0 -0.00189 -0.00027 0.00492 -0.00250 0.00017 41 8D+1 0.00226 0.00191 0.01367 0.00252 0.00055 42 8D-1 -0.00263 -0.00624 0.00258 -0.00282 0.00182 43 8D+2 0.00092 0.00301 -0.00062 -0.00701 -0.00176 44 8D-2 0.00124 0.00222 -0.00360 -0.00181 0.00422 45 3 Cu 1S -0.00214 0.00058 -0.00089 0.00132 0.00102 46 2S -0.02219 -0.08732 0.18474 -0.06127 -0.05110 47 3S -0.15012 -1.39663 2.42213 -0.82291 -1.09603 48 4PX 0.00511 0.04080 -0.00614 -0.00449 0.00830 49 4PY -0.02761 -0.01493 -0.00286 -0.00437 -0.01097 50 4PZ -0.01887 0.00496 -0.00112 -0.00357 -0.00569 51 5PX -0.04911 -0.12819 -0.09674 0.04418 0.02309 52 5PY 0.12572 0.10086 -0.01666 -0.02582 0.07207 53 5PZ 0.09436 -0.13266 0.09280 -0.01925 0.05380 54 6PX -0.36050 -0.24177 -0.90474 0.19458 -0.69734 55 6PY 0.24344 -0.03670 -0.35479 0.26198 -0.84328 56 6PZ 0.41839 -0.70131 0.73125 -0.64636 -1.49570 57 7D 0 0.00467 -0.02735 -0.00115 0.01178 -0.01384 58 7D+1 -0.02940 0.02267 0.00863 0.01817 0.00925 59 7D-1 -0.01385 0.01508 -0.01165 -0.00456 -0.03062 60 7D+2 0.00169 -0.01778 0.02232 0.02173 -0.00675 61 7D-2 -0.01178 0.01985 0.00831 0.03029 0.00444 62 8D 0 0.00041 -0.00519 -0.00139 0.00349 0.00034 63 8D+1 -0.00477 0.01145 0.00296 0.00425 0.00165 64 8D-1 -0.00283 0.00406 -0.00736 0.00186 -0.00721 65 8D+2 0.00222 -0.00404 0.01117 0.00830 -0.00354 66 8D-2 -0.00019 0.00533 0.00052 0.01030 -0.00298 67 4 Cu 1S 0.00522 0.00026 0.00051 0.00099 -0.00124 68 2S 0.05083 -0.09027 -0.16109 -0.10457 0.06900 69 3S 0.31335 -1.40328 -2.12014 -1.35025 1.28692 70 4PX 0.00082 -0.03105 -0.00773 0.00501 0.00243 71 4PY 0.00919 -0.03164 0.00193 -0.00076 0.01496 72 4PZ 0.03214 -0.01020 -0.00046 -0.00255 0.01321 73 5PX -0.03191 0.12194 -0.05238 -0.02828 0.05872 74 5PY -0.06365 0.16410 -0.00181 -0.04277 -0.04993 75 5PZ -0.18331 -0.07403 -0.10829 -0.06296 -0.04993 76 6PX -0.46109 0.47701 -0.59815 -0.48446 -1.30661 77 6PY -0.59921 0.21959 -0.06601 0.25747 0.46202 78 6PZ -1.10591 -0.49551 -0.73028 -0.64303 1.36326 79 7D 0 -0.04917 -0.03332 0.00285 0.00774 0.01658 80 7D+1 -0.02776 -0.00467 -0.00347 -0.00736 -0.00472 81 7D-1 -0.02826 0.00254 0.01588 -0.00613 0.02725 82 7D+2 -0.00539 0.00354 -0.02948 0.03335 0.00323 83 7D-2 -0.00429 -0.02513 -0.01284 -0.00691 -0.00553 84 8D 0 -0.01002 -0.01052 0.00101 0.00194 0.00109 85 8D+1 -0.00664 -0.00589 -0.00303 -0.00157 0.00235 86 8D-1 -0.00611 -0.00119 0.00605 0.00142 0.00557 87 8D+2 -0.00155 0.00364 -0.01117 0.01243 0.00315 88 8D-2 -0.00238 -0.00530 -0.00821 -0.00457 -0.00184 89 5 Cu 1S 0.00102 0.00192 0.00045 -0.00072 0.00337 90 2S -0.00412 0.04264 -0.11974 -0.01392 -0.04123 91 3S -0.17519 0.26674 -1.57560 -0.21922 -1.53408 92 4PX -0.01453 -0.00166 -0.00245 0.00910 0.01436 93 4PY 0.00214 0.01045 -0.00739 0.00628 -0.02545 94 4PZ 0.01227 -0.01501 0.01176 0.00172 -0.01243 95 5PX 0.07560 0.06114 0.07049 -0.04700 -0.02769 96 5PY -0.01384 -0.04807 0.00312 0.00141 0.12974 97 5PZ -0.06019 0.04286 0.04510 -0.02926 0.09747 98 6PX 0.44965 0.72445 0.65130 0.12476 0.75565 99 6PY -0.46717 0.13451 -0.46537 0.05527 -1.90172 100 6PZ -0.54167 -0.36013 0.51572 -0.03493 -1.80422 101 7D 0 0.03224 0.04788 -0.02589 0.00309 0.02637 102 7D+1 -0.00148 -0.03166 -0.01420 -0.00018 0.01838 103 7D-1 0.02848 -0.01192 0.01912 -0.01243 -0.00080 104 7D+2 0.00027 -0.02317 0.00265 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7D+1 0.00011 0.01101 -0.00255 -0.01131 -0.03965 125 7D-1 -0.02886 0.00466 0.01004 0.00143 -0.00334 126 7D+2 -0.00410 0.02495 -0.01476 -0.01664 0.00396 127 7D-2 -0.00213 0.00855 0.04606 0.00191 0.01497 128 8D 0 0.00296 -0.00452 -0.00049 0.00337 -0.00363 129 8D+1 -0.00043 0.00128 -0.00044 -0.00538 -0.00828 130 8D-1 -0.00455 0.00620 0.00317 0.00028 -0.00113 131 8D+2 -0.00224 0.00775 -0.00423 -0.01243 0.00192 132 8D-2 0.00282 0.00151 0.01595 -0.00242 0.00208 133 7 Cu 1S -0.00116 0.00207 -0.00003 -0.00149 -0.00319 134 2S -0.01210 0.04617 0.11597 0.02866 0.03468 135 3S -0.02573 0.26221 1.54004 0.52520 1.37800 136 4PX -0.01283 0.00576 0.00263 -0.01105 0.00323 137 4PY -0.01326 0.01190 0.00635 0.00875 0.03102 138 4PZ -0.03929 -0.01259 -0.01048 -0.00154 0.01564 139 5PX 0.04169 -0.06494 0.06194 0.08527 0.03329 140 5PY 0.07826 -0.07599 0.01676 0.01532 -0.14089 141 5PZ 0.18915 0.01175 -0.01964 -0.03762 -0.08838 142 6PX 0.10992 -0.56784 0.64134 0.00266 -0.44681 143 6PY 0.84668 -0.17389 0.52742 0.44022 1.58249 144 6PZ 1.21411 -0.68972 -0.34308 0.07005 1.61463 145 7D 0 -0.02663 0.05910 0.01251 0.00483 -0.01983 146 7D+1 0.01310 -0.00715 -0.02119 -0.00786 0.01407 147 7D-1 0.00686 -0.01108 -0.01954 -0.01119 0.01800 148 7D+2 -0.00610 -0.01390 -0.00039 -0.02359 -0.02408 149 7D-2 0.01770 -0.02618 0.01254 0.01430 0.01849 150 8D 0 -0.00239 0.01452 0.00128 0.00161 -0.00556 151 8D+1 -0.00013 -0.00304 -0.00921 -0.00418 0.00120 152 8D-1 -0.00167 -0.00504 -0.00727 -0.00475 0.00339 153 8D+2 -0.00147 -0.00195 0.00261 -0.00621 -0.00267 154 8D-2 0.00234 -0.00548 0.00673 0.00683 0.00439 155 8 Cu 1S 0.00044 0.00290 0.00039 -0.00228 0.00001 156 2S -0.00283 0.04251 0.01080 -0.09358 -0.00387 157 3S -0.13509 0.15920 0.08009 -0.86273 0.12789 158 4PX 0.00189 0.00090 -0.00597 -0.00552 -0.03354 159 4PY -0.01422 -0.00921 0.00102 -0.00746 -0.00243 160 4PZ 0.01792 -0.01040 -0.00566 0.01966 -0.00711 161 5PX -0.02254 -0.01265 0.03409 -0.00326 0.15261 162 5PY 0.06868 0.09238 -0.00675 0.05779 -0.00751 163 5PZ 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-0.00164 183 5PX 0.01267 0.01254 -0.00605 -0.00977 -0.01568 184 5PY 0.00564 -0.06104 -0.00447 -0.00255 -0.01907 185 5PZ -0.04508 -0.03643 -0.00697 0.05071 -0.00624 186 10 O 1S -0.00280 -0.00397 -0.00025 -0.00099 -0.00209 187 2S 0.00849 0.01452 0.00088 0.00288 0.00651 188 3S 0.01119 0.00180 -0.00020 0.00817 0.00729 189 4PX 0.00033 0.00246 -0.00617 -0.00835 -0.03764 190 4PY -0.01621 -0.02366 -0.00104 -0.00223 -0.00886 191 4PZ 0.01453 0.01863 -0.00548 0.02395 -0.01043 192 5PX 0.00082 0.00430 0.00077 -0.00038 0.00251 193 5PY -0.01533 -0.01715 -0.00157 0.00648 -0.00348 194 5PZ 0.01552 0.00572 -0.00027 -0.00699 -0.00270 106 107 108 109 110 V V V V V EIGENVALUES -- 0.05397 0.05606 0.06870 0.06988 0.07691 1 1 Cu 1S 0.00472 -0.00156 -0.00052 -0.00014 0.00299 2 2S 0.11512 0.00423 -0.00017 0.01040 0.08468 3 3S 1.08204 0.28469 -0.03218 0.09604 1.06343 4 4PX 0.01718 0.00279 0.06361 -0.03240 0.00356 5 4PY -0.02175 -0.04208 -0.02858 -0.05128 0.03596 6 4PZ -0.02486 0.04101 -0.00830 -0.02867 -0.03817 7 5PX -0.11028 -0.03311 -0.45447 0.24067 -0.03122 8 5PY 0.14381 0.25111 0.18615 0.35485 -0.28415 9 5PZ 0.11339 -0.20435 0.06152 0.20833 0.24346 10 6PX -1.66114 -0.28484 1.72791 -1.54006 -0.85020 11 6PY 1.74534 3.85265 0.31150 0.84385 4.52692 12 6PZ 2.51507 -2.57848 -0.04400 -0.39691 0.58643 13 7D 0 -0.03134 0.01125 0.00374 0.01946 0.04081 14 7D+1 0.00495 -0.00672 -0.02195 0.02246 -0.01692 15 7D-1 0.02968 0.00035 -0.01223 0.01340 -0.02067 16 7D+2 -0.00277 -0.01027 0.04863 0.00823 -0.02896 17 7D-2 -0.00301 -0.00458 -0.02981 0.04934 -0.01091 18 8D 0 -0.00626 0.00431 0.00023 0.00147 0.00484 19 8D+1 0.00052 -0.00249 -0.00042 0.00257 -0.00338 20 8D-1 0.00542 -0.00045 -0.00341 0.00025 0.00092 21 8D+2 -0.00562 -0.00589 0.00808 0.00161 -0.00759 22 8D-2 -0.00172 -0.00230 -0.00457 0.00836 -0.00259 23 2 Cu 1S -0.00330 -0.00003 0.00250 0.00250 0.00078 24 2S -0.09784 -0.02942 0.05216 0.05164 -0.00677 25 3S 0.08910 0.33204 0.36425 0.58464 0.56855 26 4PX -0.00368 -0.00301 0.03917 -0.04528 0.00315 27 4PY 0.01631 0.00628 0.02265 0.00991 -0.00859 28 4PZ 0.00557 0.01942 0.00850 -0.00529 0.00110 29 5PX 0.01709 0.02710 -0.31120 0.33429 -0.01499 30 5PY -0.15213 -0.05907 -0.11865 -0.01926 -0.02284 31 5PZ -0.06065 -0.16947 -0.07016 0.03172 -0.00271 32 6PX -0.25579 -0.26442 -1.07608 0.05004 -1.04335 33 6PY 1.95167 0.82571 -1.02051 -0.69349 -0.24762 34 6PZ -0.19203 0.45817 1.92290 2.67105 2.16507 35 7D 0 0.00491 0.03325 -0.02351 -0.03306 0.00738 36 7D+1 0.00244 -0.01442 0.00970 -0.01527 0.00150 37 7D-1 -0.01863 0.01325 0.04740 0.02834 -0.04026 38 7D+2 0.00503 -0.01036 -0.05433 -0.02066 0.01376 39 7D-2 0.00909 -0.00488 0.02359 -0.06272 0.01730 40 8D 0 -0.00184 0.00770 -0.00643 -0.00864 0.00159 41 8D+1 -0.00006 -0.00429 -0.00007 -0.00437 0.00200 42 8D-1 0.00093 0.00402 0.01232 0.00966 -0.00910 43 8D+2 0.00013 -0.00591 -0.01686 -0.01190 0.00478 44 8D-2 -0.00008 -0.00289 0.00116 -0.01530 0.00400 45 3 Cu 1S -0.00010 0.00057 -0.00370 -0.00116 -0.00210 46 2S 0.03312 -0.01887 0.00425 -0.03192 -0.01539 47 3S 0.48385 -0.25121 0.84920 -0.16395 0.02216 48 4PX -0.01055 -0.00597 -0.01303 0.00469 -0.05848 49 4PY -0.00706 0.00327 -0.00307 0.02714 0.01214 50 4PZ 0.01605 -0.03125 0.05531 -0.00689 -0.01197 51 5PX 0.02911 0.00751 -0.03936 0.03219 0.33540 52 5PY 0.07292 0.02569 -0.01269 -0.14407 -0.11028 53 5PZ -0.08598 0.12939 -0.28747 0.04991 0.09446 54 6PX 0.43013 1.20787 -1.26427 0.22907 0.00465 55 6PY -0.46308 -0.90848 -0.98817 -0.52560 -0.95022 56 6PZ 0.95186 -0.11706 -0.97744 -0.21626 0.65979 57 7D 0 0.01320 -0.00934 0.02334 -0.01751 -0.03430 58 7D+1 0.00058 0.02412 -0.01088 -0.00980 -0.00285 59 7D-1 -0.01177 -0.01359 -0.02551 -0.00739 0.01832 60 7D+2 -0.01515 -0.00458 -0.00268 0.02068 0.01793 61 7D-2 0.02665 0.01456 0.00249 0.00629 -0.01654 62 8D 0 0.00110 -0.00249 0.00620 -0.00130 -0.00686 63 8D+1 -0.00189 0.00308 -0.00637 -0.00266 -0.00020 64 8D-1 -0.00481 -0.00250 -0.00647 -0.00024 0.00157 65 8D+2 -0.00045 -0.00035 0.00134 0.00335 0.00687 66 8D-2 0.00307 0.00259 -0.00047 -0.00036 -0.00471 67 4 Cu 1S 0.00014 0.00047 -0.00067 -0.00409 -0.00200 68 2S 0.02660 -0.02379 -0.03246 -0.00469 -0.01633 69 3S 0.24280 -0.36027 -0.29751 0.74698 -0.09661 70 4PX 0.00520 0.01410 -0.01183 -0.00475 0.04728 71 4PY -0.00404 0.00762 0.01966 -0.00259 0.03632 72 4PZ 0.01323 -0.03013 -0.01585 0.05396 0.00378 73 5PX -0.04432 -0.06665 -0.00646 0.11620 -0.28767 74 5PY 0.05574 0.00974 -0.12608 0.02386 -0.24744 75 5PZ -0.06603 0.12450 0.07442 -0.25091 0.01197 76 6PX -0.13824 -0.65223 -0.19222 1.68524 1.70224 77 6PY -0.75820 -1.30297 0.26034 -0.38227 -2.20327 78 6PZ 0.48416 -0.46574 -0.30298 -0.44032 0.45609 79 7D 0 0.00557 -0.02048 -0.00930 0.02509 -0.02926 80 7D+1 -0.00052 -0.00531 0.02459 0.00645 0.02433 81 7D-1 -0.02975 -0.02318 0.00398 -0.02498 0.02088 82 7D+2 0.00869 0.01121 0.00867 -0.00405 0.01648 83 7D-2 -0.02303 -0.00492 0.01113 0.00459 0.01613 84 8D 0 0.00179 -0.00392 -0.00035 0.00895 -0.00526 85 8D+1 0.00209 0.00012 0.00284 0.00405 0.00441 86 8D-1 -0.00663 -0.00370 0.00169 -0.00481 0.00319 87 8D+2 0.00036 0.00173 0.00061 -0.00125 0.00243 88 8D-2 -0.00060 -0.00086 0.00175 0.00288 0.00744 89 5 Cu 1S -0.00052 -0.00021 -0.00212 -0.00065 0.00045 90 2S -0.01871 0.05311 0.00029 -0.03694 -0.01926 91 3S -0.15219 0.96292 0.83040 -0.48730 -0.39416 92 4PX -0.00782 -0.02571 -0.06248 0.03584 0.01939 93 4PY 0.00964 -0.00075 0.02065 0.01380 -0.03100 94 4PZ -0.00639 0.01737 -0.03314 0.02258 0.02589 95 5PX 0.01950 0.11589 0.24220 -0.18226 -0.06782 96 5PY -0.04003 0.01272 -0.14204 -0.07674 0.17786 97 5PZ 0.03020 -0.15039 0.13657 -0.08962 -0.12520 98 6PX 0.12732 -1.28774 0.06533 0.60202 0.50343 99 6PY -1.11690 -0.71883 0.73141 1.19419 -0.62501 100 6PZ -0.35634 1.33884 -1.49607 0.09126 0.27904 101 7D 0 -0.00327 -0.02737 0.01360 0.01199 0.00051 102 7D+1 0.03708 -0.01696 0.02166 -0.00297 0.01443 103 7D-1 0.01125 0.02153 -0.01412 -0.02209 0.00377 104 7D+2 -0.01832 0.03052 0.01513 0.02287 -0.01800 105 7D-2 0.03656 0.01992 -0.01713 -0.00029 0.00265 106 8D 0 0.00028 -0.00533 -0.00315 0.00081 -0.00173 107 8D+1 0.00743 -0.00020 0.01050 -0.00355 0.00187 108 8D-1 0.00061 0.00363 -0.00048 -0.00652 0.00309 109 8D+2 0.00171 0.00881 0.00744 0.00331 -0.00516 110 8D-2 0.00413 0.00333 -0.00608 0.00034 0.00268 111 6 Cu 1S -0.00021 0.00123 0.00082 0.00102 -0.00180 112 2S 0.01990 0.00605 0.02710 0.03727 0.02673 113 3S 0.39231 -0.36704 0.22237 0.32046 0.68516 114 4PX 0.00086 0.00598 -0.00284 0.01443 0.01131 115 4PY 0.00793 0.01475 -0.00549 -0.00393 -0.06315 116 4PZ -0.00447 -0.04466 -0.02348 -0.02234 0.01853 117 5PX -0.02871 -0.04253 -0.02200 -0.06843 -0.06580 118 5PY 0.02751 -0.03612 0.04281 0.04762 0.31431 119 5PZ 0.06091 0.24298 0.13617 0.15042 -0.03485 120 6PX 0.42344 0.12752 -0.26561 0.14542 -0.06208 121 6PY -0.72103 0.19543 0.81960 0.67403 -2.92191 122 6PZ -1.13518 -1.43124 0.77061 0.47633 -2.53058 123 7D 0 0.00013 -0.01059 -0.01423 -0.02427 -0.02196 124 7D+1 0.00526 -0.00380 0.01710 -0.01098 -0.00220 125 7D-1 0.01761 0.04931 0.00977 0.01290 0.01843 126 7D+2 0.01210 0.00709 -0.00293 -0.00397 -0.02464 127 7D-2 -0.00049 -0.00609 -0.01345 -0.00168 -0.00607 128 8D 0 0.00320 -0.00089 -0.00325 -0.00567 0.00105 129 8D+1 -0.00097 -0.00104 0.00493 -0.00443 -0.00315 130 8D-1 0.00675 0.01132 0.00493 0.00427 0.00172 131 8D+2 0.00212 0.00326 -0.00172 0.00022 -0.01172 132 8D-2 -0.00101 -0.00076 -0.00046 -0.00307 -0.00501 133 7 Cu 1S 0.00020 -0.00020 -0.00051 -0.00252 0.00143 134 2S -0.03874 0.05031 -0.03422 -0.00717 -0.02376 135 3S -0.77608 0.83037 -0.56293 0.78237 -0.83400 136 4PX -0.00117 0.01268 -0.04886 0.05524 -0.01737 137 4PY 0.00229 0.00526 -0.00626 0.03824 -0.04347 138 4PZ -0.00584 0.02559 0.00606 -0.01116 0.01859 139 5PX -0.01193 -0.04392 0.22955 -0.19708 0.02467 140 5PY -0.00645 -0.01355 0.03108 -0.19413 0.21740 141 5PZ 0.04378 -0.18291 -0.00249 0.05852 -0.08617 142 6PX 0.39611 0.91154 -0.97828 0.22442 -0.97527 143 6PY -1.34963 -0.33345 0.94392 0.72705 0.31299 144 6PZ -0.59453 1.69847 -0.20382 -1.57364 0.30121 145 7D 0 -0.02149 -0.01012 0.01940 0.00470 -0.01051 146 7D+1 -0.02634 0.03329 0.00720 -0.01966 -0.00691 147 7D-1 -0.02011 0.02403 -0.01273 -0.01576 -0.01310 148 7D+2 0.02922 0.03189 0.01269 0.01395 -0.01172 149 7D-2 -0.03965 -0.00642 0.01771 0.02700 -0.00912 150 8D 0 -0.00177 -0.00267 0.00485 -0.00692 -0.00239 151 8D+1 -0.00343 0.00525 0.00461 -0.00452 -0.00061 152 8D-1 -0.00363 0.00363 -0.00424 -0.00099 -0.00038 153 8D+2 0.00661 0.00851 0.00024 0.00570 -0.00150 154 8D-2 -0.00321 0.00099 0.00155 0.00986 -0.00685 155 8 Cu 1S 0.00108 0.00161 0.00005 0.00085 -0.00020 156 2S -0.07815 -0.01877 -0.05035 -0.06204 -0.04553 157 3S -1.37324 -0.99664 -1.19197 -1.67473 -1.04229 158 4PX -0.00570 -0.00975 -0.02929 -0.00333 -0.00384 159 4PY 0.03089 0.01868 0.04414 0.05394 -0.00956 160 4PZ 0.00645 0.02495 0.01840 0.02656 0.00636 161 5PX 0.00888 0.02865 0.14321 -0.01253 0.00692 162 5PY -0.10654 -0.02553 -0.19745 -0.23696 0.07236 163 5PZ 0.01866 -0.11014 -0.05675 -0.09102 0.00683 164 6PX -0.10553 -0.17318 -0.20721 -0.34138 0.30745 165 6PY 1.62636 -0.00643 -0.09752 0.07540 1.71214 166 6PZ -0.82577 0.83648 0.67682 0.53297 -0.84435 167 7D 0 0.01254 -0.01946 -0.00373 -0.00296 -0.00241 168 7D+1 0.00620 0.01765 -0.00156 0.00864 -0.00932 169 7D-1 0.00205 -0.03891 -0.00477 0.00697 0.01819 170 7D+2 0.05359 -0.00008 0.01077 -0.00979 0.01242 171 7D-2 0.02061 0.00898 -0.01712 0.01945 -0.00419 172 8D 0 0.00152 -0.00364 -0.00046 -0.00095 -0.00732 173 8D+1 0.00321 0.00539 0.00256 0.00476 0.00092 174 8D-1 -0.00415 -0.01102 -0.00490 -0.00357 0.00494 175 8D+2 0.01246 0.00351 0.00919 0.00573 0.00037 176 8D-2 0.00591 0.00440 0.00136 0.00886 -0.00179 177 9 C 1S -0.01043 -0.00143 0.01724 0.01858 -0.00855 178 2S 0.02829 0.00484 -0.04162 -0.04511 0.01919 179 3S 0.12680 0.03102 -0.16595 -0.17171 0.10529 180 4PX -0.00184 0.00109 0.06847 -0.03540 0.01610 181 4PY 0.02061 0.01072 0.01481 -0.00150 0.02596 182 4PZ 0.06188 0.02302 -0.06511 -0.08647 0.01002 183 5PX 0.03634 0.01500 0.08896 -0.05683 0.03462 184 5PY -0.11953 -0.05841 0.04491 0.00435 -0.00638 185 5PZ 0.00388 0.01638 -0.05231 -0.09072 -0.03412 186 10 O 1S -0.01194 -0.01017 -0.00744 -0.00996 -0.00296 187 2S 0.04015 0.03110 0.02039 0.02839 0.00999 188 3S 0.02197 0.04141 0.05417 0.06327 0.00188 189 4PX 0.01058 0.00189 -0.02827 0.02515 0.01159 190 4PY -0.02992 -0.00889 0.02090 0.03030 -0.00309 191 4PZ -0.01118 -0.00576 -0.00451 0.00176 -0.03384 192 5PX 0.00764 0.00313 -0.03942 0.02532 0.00036 193 5PY -0.03679 -0.01356 0.00719 0.01557 -0.02181 194 5PZ -0.03017 -0.01862 0.01704 0.02707 -0.01268 111 112 113 114 115 V V V V V EIGENVALUES -- 0.07783 0.08119 0.08556 0.08567 0.08952 1 1 Cu 1S 0.00073 0.00015 -0.00070 0.00020 0.00166 2 2S 0.02223 -0.00653 0.04153 -0.01877 -0.03158 3 3S 0.28571 -0.12784 0.74145 -0.32009 -0.84310 4 4PX -0.00052 0.00149 0.01239 0.00330 -0.00777 5 4PY 0.00830 -0.00373 -0.01570 0.00959 0.02846 6 4PZ -0.00993 0.00175 -0.02426 0.01273 0.01217 7 5PX 0.03597 0.05952 -0.07415 0.01477 0.00547 8 5PY -0.06103 0.04276 0.17753 -0.10019 -0.05662 9 5PZ 0.06717 0.00974 0.15211 -0.07867 -0.03672 10 6PX -2.80309 -3.57652 -0.41914 -2.91049 -1.05484 11 6PY 1.45865 -0.14806 -2.79702 1.13728 0.28871 12 6PZ -0.17686 -0.36752 -1.23428 -0.05975 2.76598 13 7D 0 0.01137 -0.00443 0.03436 -0.01798 -0.02413 14 7D+1 -0.00202 -0.00239 -0.00898 -0.00273 -0.00125 15 7D-1 -0.00437 0.00013 -0.00438 -0.00254 -0.00783 16 7D+2 -0.01018 0.00140 0.02773 -0.00732 -0.04859 17 7D-2 -0.00108 -0.00131 0.00553 -0.01528 -0.01858 18 8D 0 0.00147 -0.00145 0.00859 -0.00468 -0.00345 19 8D+1 -0.00038 -0.00236 -0.00250 -0.00058 -0.00149 20 8D-1 -0.00017 -0.00137 -0.00395 0.00022 -0.00142 21 8D+2 -0.00172 0.00274 0.00479 0.00051 -0.01417 22 8D-2 -0.00283 -0.00455 -0.00118 -0.00593 -0.00521 23 2 Cu 1S 0.00021 0.00009 0.00054 -0.00017 -0.00193 24 2S -0.00117 0.00405 0.05396 -0.02451 -0.05249 25 3S 0.25597 0.12670 0.57623 -0.24986 0.79385 26 4PX 0.00193 0.00866 0.00612 0.01636 0.00120 27 4PY -0.00112 0.00213 0.00931 -0.00035 -0.01744 28 4PZ -0.00040 0.00368 -0.01268 0.00810 0.02547 29 5PX -0.00521 -0.04541 -0.04265 -0.06823 -0.02394 30 5PY -0.01763 0.00088 -0.01293 -0.02480 0.20810 31 5PZ 0.00175 -0.02220 0.13863 -0.07645 -0.18607 32 6PX 3.53601 8.77111 0.22154 -2.80603 -0.03046 33 6PY 0.86968 1.52903 0.25002 -0.51774 0.51826 34 6PZ 1.12951 2.06194 -4.78182 1.81141 0.52947 35 7D 0 0.01107 -0.00579 -0.00163 0.00487 0.02810 36 7D+1 0.02425 -0.01478 -0.00052 0.01305 0.00401 37 7D-1 -0.00818 0.00622 -0.00662 0.00685 -0.02044 38 7D+2 -0.00036 -0.00546 -0.03998 0.01177 0.04207 39 7D-2 -0.00468 0.01575 -0.00854 0.01386 0.02046 40 8D 0 0.00039 -0.00061 -0.00344 0.00268 0.00498 41 8D+1 0.00068 -0.00053 -0.00032 0.00354 0.00157 42 8D-1 -0.00219 0.00146 0.00483 -0.00089 -0.00443 43 8D+2 0.00063 -0.00121 -0.01180 0.00271 0.01139 44 8D-2 0.00008 0.00033 -0.00310 0.00623 0.00521 45 3 Cu 1S -0.00106 0.00088 -0.00080 -0.00040 0.00109 46 2S -0.01438 -0.01863 -0.01725 -0.02826 0.00906 47 3S -0.18776 -0.72174 -0.34043 -0.78121 0.45379 48 4PX -0.01029 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0.00207 0.01325 0.01207 0.02821 0.00730 69 3S 0.08897 0.76092 0.49351 0.63221 0.33281 70 4PX 0.02074 -0.01072 0.01626 -0.01498 -0.01307 71 4PY 0.00284 0.01124 0.00437 -0.00704 0.00369 72 4PZ 0.00255 -0.00159 0.02712 -0.00995 -0.02114 73 5PX -0.09688 0.12014 -0.08855 0.06811 0.06339 74 5PY -0.03857 -0.05924 -0.04026 0.02299 -0.01975 75 5PZ -0.02739 0.02246 -0.14978 0.06946 0.12599 76 6PX -2.89777 0.90436 1.88742 4.65659 1.34390 77 6PY 1.63446 -5.12386 5.25397 2.46719 2.51974 78 6PZ 0.40626 -0.18715 -1.89137 -3.52398 -1.85632 79 7D 0 -0.00840 -0.00636 -0.02581 -0.02246 -0.01469 80 7D+1 -0.00594 0.00234 0.00976 0.00010 0.00809 81 7D-1 0.01932 -0.00670 0.02105 0.01501 0.01584 82 7D+2 -0.02190 0.01668 0.01446 0.02165 -0.01959 83 7D-2 0.00287 -0.01248 0.03210 -0.00432 0.00811 84 8D 0 -0.00216 -0.00164 -0.00408 -0.00061 -0.00065 85 8D+1 0.00112 0.00217 0.00383 -0.00190 -0.00034 86 8D-1 0.00317 0.00209 0.00309 0.00074 0.00353 87 8D+2 -0.00015 0.00349 0.00159 0.00287 -0.00179 88 8D-2 0.00091 -0.00062 0.00416 -0.00095 0.00283 89 5 Cu 1S 0.00107 0.00138 -0.00161 0.00027 0.00146 90 2S -0.01304 -0.03285 -0.01417 -0.03946 0.04238 91 3S -0.48938 -1.18904 0.05034 -1.21035 1.16364 92 4PX 0.00371 -0.00185 0.00314 -0.00884 -0.00106 93 4PY -0.01651 -0.00443 0.01866 -0.01822 -0.02524 94 4PZ 0.00325 -0.00393 -0.00045 -0.00348 0.00114 95 5PX 0.00934 0.03868 -0.02696 0.07793 -0.01921 96 5PY 0.10541 0.05526 -0.12796 0.13266 0.21835 97 5PZ 0.01670 0.04675 -0.00656 0.02285 -0.00624 98 6PX 0.09905 -1.09582 -1.00670 -2.70903 0.96514 99 6PY 2.59060 2.71949 -2.06976 -0.39332 -1.37785 100 6PZ 0.95166 0.01601 1.62774 1.58571 -1.69253 101 7D 0 -0.00794 0.01279 -0.00052 -0.01751 -0.00268 102 7D+1 -0.00346 0.01177 0.00481 0.02359 -0.00536 103 7D-1 -0.02265 -0.00538 0.00196 0.01599 0.00625 104 7D+2 -0.00382 0.02865 0.01242 0.00089 -0.00576 105 7D-2 0.00023 -0.00418 0.00820 -0.00899 0.02124 106 8D 0 -0.00063 0.00252 0.00048 0.00071 -0.00296 107 8D+1 -0.00110 0.00080 0.00247 0.00091 -0.00167 108 8D-1 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-0.03810 -0.03161 -0.04116 91 3S 0.39986 1.16872 -0.36779 -1.21411 -1.12247 92 4PX -0.01542 -0.00682 -0.00606 0.01103 -0.04019 93 4PY -0.00711 0.03033 0.02622 0.06463 -0.02296 94 4PZ -0.01151 0.01874 0.03974 -0.00601 0.04546 95 5PX 0.08461 -0.02926 -0.00938 -0.06238 0.34510 96 5PY 0.05439 -0.17946 -0.17383 -0.50330 0.17695 97 5PZ 0.05965 -0.16111 -0.29421 0.04508 -0.35460 98 6PX -0.42741 -1.14448 1.48632 0.08201 0.11456 99 6PY -0.36448 -1.21758 1.07453 0.87849 -1.36404 100 6PZ -0.63782 0.96556 -1.81865 -0.24250 -0.63135 101 7D 0 -0.02484 0.00709 -0.00527 0.00078 -0.01259 102 7D+1 -0.00239 -0.01195 0.01319 -0.00354 0.00071 103 7D-1 -0.02404 -0.03939 0.00660 -0.02045 -0.01660 104 7D+2 -0.01219 0.03659 0.00830 0.00225 0.00195 105 7D-2 0.01082 -0.00476 -0.02108 -0.01634 -0.01109 106 8D 0 -0.00511 0.00120 -0.00521 0.00023 -0.00599 107 8D+1 -0.00273 -0.00293 -0.00068 -0.00131 -0.00217 108 8D-1 -0.00427 -0.00760 0.00315 -0.00429 0.00010 109 8D+2 -0.00224 0.00602 0.00429 -0.00223 0.00079 110 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0.99491 1.84338 13 7D 0 -0.02167 0.03925 0.00415 0.02114 -0.02587 14 7D+1 -0.09388 -0.00302 0.00410 -0.01905 0.00625 15 7D-1 0.00335 0.06344 0.00905 0.00768 0.02335 16 7D+2 0.00121 0.00073 -0.02627 -0.04631 0.00590 17 7D-2 0.03914 -0.02218 0.03618 -0.02548 -0.00204 18 8D 0 -0.00540 0.01279 0.00226 0.00531 -0.00260 19 8D+1 -0.02659 -0.00143 0.00435 -0.00633 -0.00057 20 8D-1 0.00132 0.01917 0.00206 0.00429 0.00810 21 8D+2 0.00062 0.00096 -0.00516 -0.01409 -0.00137 22 8D-2 0.01129 -0.00596 0.00610 -0.00805 -0.00228 23 2 Cu 1S -0.00066 -0.00327 -0.00167 -0.00661 -0.00908 24 2S -0.00123 -0.01843 -0.01042 0.07505 -0.08531 25 3S 0.51855 1.80223 -0.37039 5.56163 0.15925 26 4PX -0.00258 0.00562 -0.03861 -0.00024 -0.00638 27 4PY 0.00000 0.00183 -0.00598 0.01463 -0.03581 28 4PZ -0.00863 -0.03545 -0.00315 0.00610 0.06720 29 5PX 0.01146 -0.04462 0.43150 0.17534 0.16769 30 5PY -0.00332 -0.00853 -0.02458 -0.85870 0.10466 31 5PZ 0.06148 0.28242 0.01577 -0.31437 -0.96804 32 6PX -1.42493 -0.63184 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0.00337 0.00032 -0.00295 0.00271 -0.00306 132 8D-2 -0.00559 0.00752 0.00253 -0.00008 -0.00677 133 7 Cu 1S -0.00075 -0.00219 -0.00339 -0.00918 -0.00612 134 2S 0.01214 -0.01134 0.02497 -0.05581 -0.03338 135 3S 0.90543 0.26318 2.13629 -0.95048 -0.71320 136 4PX 0.01977 -0.01811 0.02293 0.02178 -0.02056 137 4PY 0.01404 -0.01919 -0.02230 -0.06381 0.04239 138 4PZ 0.05565 -0.05486 -0.00655 -0.02173 -0.06611 139 5PX -0.14731 0.16559 -0.17256 -0.26061 0.21563 140 5PY -0.09009 0.20585 0.27691 0.88909 -0.65109 141 5PZ -0.48139 0.50351 0.05939 0.34438 0.96865 142 6PX 0.35049 0.64601 -1.26101 -0.20232 -0.73966 143 6PY 0.81684 -0.85046 3.47855 -1.33880 0.69225 144 6PZ 1.42602 -0.01092 2.65454 -1.05929 -1.19633 145 7D 0 0.01579 0.00660 0.00216 0.00164 -0.05329 146 7D+1 -0.00168 0.00141 -0.01134 0.01797 0.05493 147 7D-1 0.01493 -0.00689 0.00857 0.01400 0.04499 148 7D+2 0.00158 -0.00325 0.00042 0.01292 0.02840 149 7D-2 -0.00739 0.01751 -0.03994 0.06242 -0.04055 150 8D 0 0.00134 0.00279 -0.00414 -0.00535 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-0.00513 0.01365 190 4PY -0.00588 -0.02899 0.00818 -0.00977 0.00857 191 4PZ 0.00350 0.00572 0.01134 0.01327 -0.07866 192 5PX 0.00663 0.00287 0.02478 -0.02389 0.01112 193 5PY -0.00449 -0.02747 0.01051 0.08194 0.01200 194 5PZ 0.00304 0.00890 0.00544 0.03647 -0.06977 126 127 128 129 130 V V V V V EIGENVALUES -- 0.20181 0.20551 0.22152 0.24269 0.25628 1 1 Cu 1S -0.01342 -0.00531 0.01510 0.00112 -0.00842 2 2S -0.10695 -0.04231 0.03206 0.00521 0.04432 3 3S -2.78766 -1.01232 -0.37770 0.02849 5.29333 4 4PX -0.00532 -0.00739 -0.01413 -0.07461 0.01326 5 4PY -0.01661 -0.00857 0.05013 -0.01493 0.02651 6 4PZ 0.06840 0.02534 0.03999 -0.00582 -0.03059 7 5PX 0.03421 0.03595 0.29146 1.35059 -0.47371 8 5PY 0.38370 0.16691 -1.03286 0.23623 -0.11073 9 5PZ -0.75028 -0.28915 -0.63608 0.11146 0.92062 10 6PX 0.01386 0.42154 -0.91257 -0.66064 -2.24700 11 6PY -1.78255 -0.58861 3.73023 -0.52304 7.43344 12 6PZ 3.15909 1.36677 1.11594 -0.00471 1.28550 13 7D 0 0.06089 0.01917 0.01106 -0.00105 -0.08758 14 7D+1 -0.00595 -0.00478 0.01525 -0.01268 0.03185 15 7D-1 -0.03658 -0.01475 -0.04013 -0.01355 0.00931 16 7D+2 0.01918 0.00374 0.04008 0.01656 0.01273 17 7D-2 0.01752 0.01379 0.03165 -0.03577 0.00767 18 8D 0 0.01859 0.00542 0.00562 -0.00041 -0.03831 19 8D+1 0.00010 -0.00343 0.00396 -0.00621 0.01303 20 8D-1 -0.01315 -0.00537 -0.00752 -0.00587 0.00751 21 8D+2 0.00902 0.00207 0.01726 0.00833 -0.00290 22 8D-2 0.00594 0.00587 0.01010 -0.01574 0.00027 23 2 Cu 1S 0.03363 0.01162 -0.03963 -0.00229 0.02969 24 2S 0.20864 0.07527 -0.30063 -0.02104 0.25621 25 3S -2.79355 -0.82544 2.65335 -0.22314 4.84352 26 4PX -0.00358 0.02381 0.02728 -0.02474 -0.01696 27 4PY 0.02587 0.01238 -0.07606 -0.00644 0.00682 28 4PZ -0.05244 -0.00984 -0.06372 -0.01022 0.00455 29 5PX -0.20777 -0.47147 0.00533 0.50596 0.04041 30 5PY 0.56063 0.13578 -0.38459 0.03405 0.74394 31 5PZ 1.32176 0.35500 0.21466 0.16427 0.35174 32 6PX 0.42503 -0.08382 -0.34310 -1.77290 -0.57791 33 6PY -0.89253 -0.29140 1.50381 -0.31283 0.06668 34 6PZ -1.51807 -0.51579 0.90544 -0.40449 1.26025 35 7D 0 -0.00528 -0.03435 0.01873 -0.00306 -0.02413 36 7D+1 0.04267 -0.08209 0.00677 -0.01368 0.00629 37 7D-1 0.02021 -0.00367 -0.02180 0.00217 0.03269 38 7D+2 0.05045 0.02566 0.05293 -0.00183 0.02464 39 7D-2 0.00566 0.03126 0.02162 0.02497 0.00931 40 8D 0 0.01824 -0.00069 -0.01134 -0.00048 -0.00331 41 8D+1 0.01385 -0.01508 -0.00058 -0.00183 0.00533 42 8D-1 -0.02268 -0.01010 0.01541 0.00191 0.00231 43 8D+2 0.03927 0.01521 -0.00817 -0.00232 0.01870 44 8D-2 0.01759 0.01068 -0.00594 0.00778 0.00861 45 3 Cu 1S -0.00567 -0.00102 0.00204 -0.00412 0.00864 46 2S -0.00644 0.00343 0.05695 -0.01306 0.06883 47 3S 1.34793 0.03624 0.17340 0.22910 1.55777 48 4PX 0.00839 -0.03338 0.01614 0.05950 0.02589 49 4PY 0.04610 -0.06759 0.01648 -0.03081 -0.04379 50 4PZ 0.00603 -0.02541 0.00488 0.06714 0.00135 51 5PX -0.16325 0.51111 -0.15937 -1.19162 -0.44930 52 5PY -0.77233 0.98167 0.17746 0.52763 0.97315 53 5PZ -0.03276 0.33637 -0.09775 -1.33950 0.27076 54 6PX -0.48444 -1.30188 0.53724 1.86090 1.13663 55 6PY 1.65166 -2.24021 -1.05589 -1.46379 -2.24342 56 6PZ 0.71133 -0.84184 0.68143 2.49363 1.13881 57 7D 0 -0.02725 -0.00614 -0.04523 -0.07691 0.02546 58 7D+1 0.03720 -0.00568 0.01237 0.04395 0.00816 59 7D-1 -0.03045 0.00723 0.00208 0.02889 -0.01775 60 7D+2 -0.00433 -0.06466 -0.06104 0.04242 0.01504 61 7D-2 -0.00391 -0.07616 -0.02892 0.00047 -0.07792 62 8D 0 -0.01334 -0.00315 0.00074 -0.02868 0.00042 63 8D+1 0.01169 -0.00171 0.00316 0.01319 -0.00004 64 8D-1 -0.00791 0.00222 -0.00046 0.00928 0.00148 65 8D+2 -0.01785 -0.02136 0.00621 0.01771 -0.00292 66 8D-2 0.00752 -0.01870 -0.01986 -0.00199 -0.02417 67 4 Cu 1S -0.00517 -0.00180 0.00139 0.00332 0.00998 68 2S -0.00569 -0.00171 0.05190 0.01885 0.06827 69 3S 1.09580 0.88830 0.18836 -0.07873 1.08106 70 4PX 0.01334 -0.05824 -0.02857 0.06278 -0.00334 71 4PY -0.00631 0.06369 0.00641 0.06134 -0.03870 72 4PZ -0.00082 0.00159 0.00260 -0.04668 -0.00648 73 5PX -0.14089 0.89663 0.25232 -1.30238 -0.18642 74 5PY 0.00425 -0.98471 0.28591 -1.10534 0.72618 75 5PZ 0.04271 0.04489 -0.12168 0.90461 0.32092 76 6PX 0.74553 -1.90017 -0.56583 2.02996 -0.38621 77 6PY 0.12939 2.34711 -1.30966 2.38750 -1.91246 78 6PZ 0.58519 0.63078 0.58575 -1.73637 0.53645 79 7D 0 -0.04225 -0.01327 -0.05484 0.07513 0.01654 80 7D+1 -0.01604 0.01047 -0.00432 -0.01713 -0.02557 81 7D-1 -0.01256 -0.03975 0.00150 -0.03625 -0.00853 82 7D+2 -0.05864 0.07666 -0.05385 -0.04534 -0.03869 83 7D-2 0.01744 0.00800 -0.01600 -0.02553 0.06009 84 8D 0 -0.01850 -0.00713 -0.00325 0.02888 -0.00115 85 8D+1 -0.00461 0.00195 -0.00285 -0.00974 -0.00790 86 8D-1 -0.00722 -0.01398 0.00737 -0.01286 -0.00017 87 8D+2 -0.02252 0.01829 -0.00500 -0.01446 -0.01804 88 8D-2 -0.01077 -0.00497 0.01866 -0.01079 0.01137 89 5 Cu 1S -0.00299 -0.00046 0.00559 0.00324 0.00336 90 2S -0.01483 0.00774 0.05013 0.02456 -0.08420 91 3S 0.51722 0.57622 -1.10992 -0.61378 -2.95568 92 4PX 0.00946 0.02343 -0.00566 -0.01986 -0.06360 93 4PY -0.04264 0.02467 0.01513 -0.00113 -0.00481 94 4PZ -0.03306 0.00299 0.01022 0.03219 -0.02584 95 5PX -0.15572 -0.37342 0.36009 0.64122 1.30386 96 5PY 0.58899 -0.36762 -0.05189 0.04422 0.09183 97 5PZ 0.51637 -0.07292 0.01267 -0.73726 0.49831 98 6PX 0.06855 0.46760 -0.15769 -1.04565 -0.14975 99 6PY -0.61681 0.72732 -0.31423 -0.70012 -0.42817 100 6PZ -0.96057 -0.31203 0.38591 0.88349 1.02165 101 7D 0 -0.01096 0.01368 0.01659 0.09457 0.03681 102 7D+1 -0.05819 0.00773 -0.01703 -0.01514 -0.03100 103 7D-1 -0.00948 0.05382 0.03837 -0.05123 -0.02085 104 7D+2 0.01039 0.02391 -0.04385 -0.00702 -0.02656 105 7D-2 -0.06533 -0.00985 -0.00340 0.04115 -0.02164 106 8D 0 -0.00828 -0.00115 0.00756 0.02927 0.00555 107 8D+1 -0.00759 0.00530 -0.00820 -0.00040 -0.01007 108 8D-1 0.00302 0.00880 -0.01215 -0.01267 -0.00052 109 8D+2 -0.00598 0.00011 0.00044 -0.01414 -0.01183 110 8D-2 -0.00798 0.00366 -0.00448 0.00606 0.00074 111 6 Cu 1S -0.00229 -0.00062 -0.00338 -0.00012 0.01064 112 2S 0.00361 0.00215 -0.03301 -0.00053 0.01506 113 3S 0.72361 0.24270 -0.93096 -0.04834 -0.65180 114 4PX -0.01810 0.09125 0.01914 0.02234 0.02251 115 4PY -0.03477 0.00675 -0.06179 -0.00006 -0.04008 116 4PZ -0.03690 0.00831 -0.03050 0.00406 -0.05267 117 5PX 0.24743 -1.27640 -0.28454 -0.66630 -0.65085 118 5PY 0.53795 -0.06892 0.94050 -0.05556 1.22799 119 5PZ 0.48608 -0.13209 0.51347 -0.14447 1.49259 120 6PX -0.76386 2.83774 0.89140 1.12407 1.28870 121 6PY -1.07487 0.21934 -2.02776 0.19536 -2.14457 122 6PZ -0.20794 0.58865 -2.22682 0.26434 -3.12197 123 7D 0 0.00789 -0.00042 0.03733 0.01006 0.10903 124 7D+1 -0.01144 -0.01229 -0.00886 0.02261 -0.02444 125 7D-1 0.04498 0.03404 0.00574 0.02658 -0.02887 126 7D+2 0.02447 -0.02230 0.03537 -0.02761 0.00332 127 7D-2 -0.03553 0.07021 0.00848 0.06330 0.01057 128 8D 0 0.00464 0.00216 0.01490 0.00030 0.04435 129 8D+1 -0.00596 0.00022 -0.00382 0.00120 -0.01431 130 8D-1 0.01627 0.01151 -0.00617 0.00660 0.00168 131 8D+2 0.01056 -0.00444 0.00354 -0.00936 0.01159 132 8D-2 -0.00815 0.01720 0.00134 0.02517 0.00637 133 7 Cu 1S -0.00319 -0.00195 0.00362 -0.00314 0.00217 134 2S -0.00929 -0.01931 0.03965 -0.01998 -0.08749 135 3S 0.97472 -0.23912 -1.06460 0.45383 -3.54884 136 4PX -0.00379 0.03601 -0.00152 -0.00899 0.06614 137 4PY -0.01959 -0.03771 0.01866 -0.00145 0.02532 138 4PZ -0.02242 -0.02089 0.01656 -0.03855 -0.00228 139 5PX 0.10365 -0.55804 -0.32480 0.33147 -1.35747 140 5PY 0.29507 0.52234 -0.17752 0.10056 -0.69413 141 5PZ 0.33361 0.35810 -0.21207 0.97952 -0.01674 142 6PX 0.02481 0.69964 0.19720 -0.91347 -0.12568 143 6PY 0.08953 -0.79528 -0.27866 0.33111 -0.17292 144 6PZ -0.68334 -0.27503 0.58331 -1.37614 0.86083 145 7D 0 0.02804 0.00840 0.02375 -0.09220 0.03633 146 7D+1 0.01270 0.05257 -0.02201 0.02379 -0.01232 147 7D-1 0.04942 -0.01560 0.02202 0.07243 -0.00749 148 7D+2 -0.02303 -0.04808 -0.02734 -0.01527 -0.03261 149 7D-2 0.03685 0.02133 -0.03851 0.01476 -0.02671 150 8D 0 -0.00446 0.00052 0.01289 -0.02560 0.01135 151 8D+1 -0.00037 0.00925 0.00316 0.01684 -0.00172 152 8D-1 0.00838 0.00114 -0.00801 0.01904 -0.00046 153 8D+2 -0.00663 -0.01112 -0.00808 0.00493 -0.00364 154 8D-2 -0.00301 0.00290 0.00676 0.00907 -0.01950 155 8 Cu 1S 0.00384 0.00164 -0.00059 -0.00145 0.00644 156 2S 0.04364 0.01876 0.00758 -0.00588 -0.05935 157 3S 0.57321 0.21775 0.27579 0.23539 -5.44716 158 4PX 0.00623 -0.03562 -0.00526 0.01206 0.01821 159 4PY 0.05487 0.01178 0.04437 0.00467 -0.04627 160 4PZ -0.03479 -0.01950 -0.01859 -0.00054 -0.03532 161 5PX -0.12814 0.43346 0.13122 -0.22160 -0.46311 162 5PY -0.70024 -0.15118 -0.93316 -0.13589 1.05238 163 5PZ 0.62086 0.32895 0.36584 -0.00548 1.13858 164 6PX 0.30825 -1.09975 -0.00372 -0.16528 -0.07641 165 6PY 0.92624 0.08567 1.28750 0.00685 1.86350 166 6PZ -0.77933 -0.53059 -1.49438 -0.05470 -1.50163 167 7D 0 -0.05104 -0.04494 -0.06885 -0.01207 -0.06740 168 7D+1 0.04090 -0.04571 0.00961 -0.01745 0.02703 169 7D-1 -0.01959 -0.02181 0.02715 0.00685 0.02783 170 7D+2 -0.03818 0.00388 -0.04950 -0.02929 0.04751 171 7D-2 -0.01372 -0.00853 -0.03317 0.05568 0.01092 172 8D 0 -0.01588 -0.00848 -0.02309 -0.00151 -0.01588 173 8D+1 0.00865 -0.00242 0.00261 0.00220 0.01383 174 8D-1 -0.00180 -0.00296 0.00738 0.00182 -0.01940 175 8D+2 -0.00398 0.00081 -0.01905 -0.00297 0.00654 176 8D-2 0.00100 -0.00100 -0.01184 -0.00042 0.00576 177 9 C 1S -0.01116 -0.00230 -0.04354 -0.00385 0.03152 178 2S 0.01527 0.00142 0.09678 0.01089 -0.09799 179 3S 0.32867 0.09034 0.65120 0.05500 -0.40274 180 4PX -0.02416 0.05848 0.02329 -0.07328 -0.02225 181 4PY 0.06671 0.03029 0.00567 -0.01179 0.01939 182 4PZ -0.03970 0.00766 -0.08932 -0.01608 -0.05845 183 5PX -0.27178 -0.04221 0.34645 -0.05085 -0.14452 184 5PY 1.14986 0.39455 -1.34173 -0.04497 0.31592 185 5PZ 0.26166 0.09960 -0.58342 -0.04706 0.26101 186 10 O 1S -0.03154 -0.01129 0.06684 0.00292 -0.02112 187 2S 0.03067 0.01203 -0.10848 -0.00540 0.03450 188 3S 0.59913 0.20792 -1.03998 -0.04085 0.31858 189 4PX -0.01200 -0.03160 0.03233 0.04031 -0.00124 190 4PY 0.04573 0.01209 -0.16136 -0.00051 0.04707 191 4PZ 0.06596 0.01505 -0.04214 0.00710 0.01921 192 5PX -0.00633 -0.02434 0.04806 0.02508 -0.01088 193 5PY 0.00505 0.00258 -0.19868 -0.01000 0.10807 194 5PZ 0.06896 0.01840 -0.07007 0.00315 0.02866 131 132 133 134 135 V V V V V EIGENVALUES -- 0.26762 0.27048 0.28082 0.28741 0.29329 1 1 Cu 1S 0.00366 0.01489 -0.00180 0.00604 -0.00163 2 2S 0.05782 0.26121 -0.00787 0.01061 -0.01158 3 3S 2.33623 11.22501 -0.42076 -0.63529 -0.05895 4 4PX 0.09215 -0.01653 -0.02143 0.00100 0.01613 5 4PY -0.00224 -0.07157 0.02937 0.03308 0.00467 6 4PZ 0.03689 0.05368 0.00082 -0.02268 0.00052 7 5PX -1.74039 0.19303 0.44835 0.09555 -0.52449 8 5PY 0.23453 1.78644 -0.50993 -1.64251 -0.20700 9 5PZ -0.87797 -1.34087 -0.30980 1.08279 -0.04098 10 6PX -2.12658 -0.53297 1.58697 -0.50215 -3.21638 11 6PY 0.06097 2.56989 -3.37924 0.33761 -0.28272 12 6PZ -0.21972 0.28875 0.00938 0.89227 -0.59689 13 7D 0 0.01766 -0.02301 0.03940 -0.04915 -0.03449 14 7D+1 0.01140 -0.00192 0.01632 0.01352 -0.09518 15 7D-1 -0.01348 -0.03177 -0.07445 0.08591 -0.00080 16 7D+2 -0.01759 -0.03527 0.09743 0.06661 -0.00486 17 7D-2 0.05030 -0.02598 0.05475 0.00915 0.04758 18 8D 0 0.00857 -0.00393 0.00614 -0.02551 -0.01016 19 8D+1 0.01004 -0.00091 0.00760 0.00940 -0.02808 20 8D-1 -0.00667 -0.02332 -0.02566 0.02442 0.00205 21 8D+2 -0.00964 -0.01564 0.03807 0.02820 -0.00678 22 8D-2 0.01900 -0.00561 0.01955 0.00612 0.02748 23 2 Cu 1S 0.00210 -0.00858 0.04640 -0.01775 -0.00260 24 2S 0.02847 -0.03344 0.36986 -0.10416 -0.02442 25 3S 1.45986 2.81388 4.80082 0.76945 -0.40947 26 4PX -0.11012 0.03532 0.03437 0.00300 0.00885 27 4PY -0.03185 0.02790 -0.08494 0.00768 0.00924 28 4PZ -0.02768 -0.03531 0.02034 -0.05949 0.00105 29 5PX 2.06607 -0.79797 -0.91848 -0.05720 -0.37603 30 5PY 0.75740 -0.23834 2.42899 -0.34369 -0.33107 31 5PZ 0.54212 0.76213 -0.03583 1.56227 -0.07984 32 6PX -0.66987 0.25548 -0.11155 0.04247 0.77887 33 6PY 0.02803 0.11505 0.49217 -0.09274 0.06866 34 6PZ -0.25207 -0.45902 -0.07630 0.44569 0.19510 35 7D 0 0.00769 0.01220 -0.02138 -0.05584 -0.02196 36 7D+1 0.00292 -0.01010 0.01596 0.02625 -0.06899 37 7D-1 0.01300 0.04834 -0.03193 0.01409 -0.00589 38 7D+2 -0.01194 0.02331 0.03576 0.04699 0.00142 39 7D-2 0.03552 -0.01175 0.00706 0.01839 0.02368 40 8D 0 -0.00021 -0.00935 -0.00427 0.00674 -0.00776 41 8D+1 0.01040 -0.00396 0.01104 0.00135 -0.02610 42 8D-1 0.00826 0.02368 -0.03545 0.00979 -0.00296 43 8D+2 -0.00378 0.01600 0.04044 0.01917 0.00465 44 8D-2 0.02516 -0.00807 0.01683 0.00761 -0.00247 45 3 Cu 1S 0.00436 0.01598 -0.00887 -0.00569 -0.00223 46 2S 0.00308 0.06499 -0.07590 -0.00429 -0.16710 47 3S 0.25471 0.34388 -0.92835 -0.25945 -7.60482 48 4PX -0.00089 -0.02968 -0.02998 -0.01162 -0.06291 49 4PY -0.02844 0.04007 -0.02743 0.05093 -0.00659 50 4PZ 0.00336 -0.00618 0.00656 -0.00951 0.06625 51 5PX -0.07277 0.63913 0.67440 0.56745 1.67266 52 5PY 0.82728 -0.70264 0.73831 -1.73436 0.28627 53 5PZ -0.06725 -0.04585 -0.19332 0.59500 -1.47808 54 6PX 0.90654 0.16075 -0.40064 0.07723 1.19660 55 6PY -0.54139 0.81930 0.73347 -0.10448 0.26779 56 6PZ 0.62625 -0.33948 -0.51965 -0.02008 -0.50157 57 7D 0 0.01556 -0.01103 0.03758 0.05503 0.00172 58 7D+1 -0.00194 0.05443 0.04653 0.00897 -0.02128 59 7D-1 0.05241 -0.03014 0.07398 -0.04740 0.03731 60 7D+2 0.03400 -0.05461 0.02731 -0.01309 -0.05732 61 7D-2 -0.03202 0.03752 -0.03906 0.07631 0.00743 62 8D 0 0.00656 0.00265 0.00596 0.02430 -0.00407 63 8D+1 0.00317 0.02127 0.01722 0.00156 -0.00638 64 8D-1 0.00506 -0.01932 0.00389 -0.01217 0.01003 65 8D+2 0.01485 -0.00214 0.00209 -0.00067 -0.02291 66 8D-2 -0.01648 -0.00992 -0.01032 0.02869 -0.00184 67 4 Cu 1S 0.00086 0.01539 -0.01220 -0.00602 0.00301 68 2S -0.00565 0.06574 -0.07820 -0.00683 0.18041 69 3S -0.36125 0.81180 0.22994 -0.41190 7.99348 70 4PX 0.01182 0.01063 0.03636 -0.00583 -0.04071 71 4PY 0.04430 0.02254 -0.02767 0.05526 -0.01021 72 4PZ 0.00369 0.00207 0.01251 -0.00661 -0.08968 73 5PX -0.20483 -0.25305 -0.84128 -0.03198 1.16265 74 5PY -0.96644 -0.29778 0.79889 -1.92647 0.10480 75 5PZ -0.25065 -0.15129 -0.20064 0.42441 2.14625 76 6PX 0.64372 -0.62897 0.01144 0.12425 0.94125 77 6PY 1.40043 0.15479 0.55611 -0.07401 -0.04643 78 6PZ -0.67076 -0.07724 -0.13523 -0.14819 0.99757 79 7D 0 -0.03418 -0.03611 0.01054 0.04370 0.00203 80 7D+1 -0.01816 -0.03234 -0.07844 -0.01054 0.02114 81 7D-1 -0.05297 -0.02766 0.07414 -0.07838 -0.03732 82 7D+2 -0.00117 -0.00387 0.02028 0.03832 0.03293 83 7D-2 -0.04702 -0.01956 0.04887 -0.04851 0.04959 84 8D 0 -0.00895 -0.00584 -0.00027 0.02019 0.00411 85 8D+1 -0.00614 -0.01423 -0.01998 -0.00459 0.00377 86 8D-1 -0.01848 -0.01603 0.00682 -0.02287 -0.00974 87 8D+2 -0.00031 -0.00259 0.00130 0.01881 0.01644 88 8D-2 -0.00289 0.02423 0.01592 -0.01748 0.01444 89 5 Cu 1S 0.01615 0.02245 0.00137 -0.00747 -0.00026 90 2S 0.03478 -0.00373 -0.03827 -0.08967 0.09829 91 3S -0.33865 -3.10311 -2.92721 -2.49001 5.56738 92 4PX -0.00125 -0.04384 -0.03582 -0.04574 0.04515 93 4PY -0.03794 0.02629 -0.00517 -0.00873 -0.02720 94 4PZ -0.01957 -0.01547 -0.02213 -0.01905 0.05139 95 5PX -0.02307 0.88226 1.06062 1.14300 -1.16510 96 5PY 1.23114 -0.67271 0.22590 0.22025 0.63332 97 5PZ 0.58247 0.42723 0.49110 0.66166 -1.53599 98 6PX 0.05723 0.64554 0.52319 0.36065 -0.70795 99 6PY -0.58500 -0.55534 0.18763 -0.13262 0.73573 100 6PZ 0.48260 0.40940 -0.40568 0.07887 0.14591 101 7D 0 -0.02310 -0.00589 0.01163 0.00261 0.02242 102 7D+1 -0.05632 -0.01316 -0.05470 0.01052 0.08786 103 7D-1 -0.05827 0.02342 -0.00677 0.00826 -0.03802 104 7D+2 0.04315 0.01749 -0.07734 -0.07152 0.00395 105 7D-2 -0.10624 0.05139 -0.02534 -0.03949 -0.03372 106 8D 0 -0.00519 0.00122 0.00886 -0.00733 0.01520 107 8D+1 -0.01368 -0.01215 -0.01111 -0.01887 0.01744 108 8D-1 -0.01752 0.01174 0.00303 -0.00747 -0.00439 109 8D+2 0.00929 -0.00099 -0.01370 -0.00602 0.00985 110 8D-2 -0.03353 0.00085 -0.00130 0.00128 -0.00565 111 6 Cu 1S 0.00476 0.01821 0.00515 0.01235 0.00154 112 2S -0.01667 -0.01188 -0.04165 0.20724 0.01120 113 3S -1.81125 -4.44049 -2.66751 6.25619 0.07594 114 4PX 0.00796 -0.01242 -0.01568 -0.01291 -0.04283 115 4PY -0.00270 -0.03311 0.00155 0.09951 -0.00684 116 4PZ 0.03258 0.05955 0.03915 -0.01944 -0.01196 117 5PX -0.17350 0.27362 0.48272 0.34586 1.30782 118 5PY 0.12389 1.08380 -0.20005 -2.65741 0.22701 119 5PZ -0.92049 -1.65859 -1.24071 0.56816 0.34041 120 6PX 0.46634 -0.19183 -0.47106 0.11771 0.14571 121 6PY 0.41441 0.17718 1.41799 -1.02825 -0.10296 122 6PZ 0.43930 0.31720 0.71399 0.45647 -0.10718 123 7D 0 -0.02338 -0.03890 -0.07686 -0.01293 0.01960 124 7D+1 0.05851 -0.00393 0.03329 -0.00984 0.03912 125 7D-1 0.02874 0.09011 -0.04416 0.01204 -0.01140 126 7D+2 0.00294 0.06655 -0.03055 -0.05506 0.02957 127 7D-2 0.01108 0.00249 -0.00826 -0.02223 -0.09665 128 8D 0 -0.00969 -0.01176 -0.02185 -0.01208 -0.00161 129 8D+1 0.00424 -0.00446 0.00917 0.00106 -0.00313 130 8D-1 0.01826 0.04835 -0.00506 -0.01858 -0.00739 131 8D+2 -0.00389 0.01158 0.00144 -0.03262 0.01145 132 8D-2 0.01098 -0.01153 -0.00226 -0.00815 -0.02723 133 7 Cu 1S 0.00282 0.03027 0.00275 -0.00895 0.00071 134 2S -0.00329 0.01949 -0.05482 -0.08767 -0.09104 135 3S -1.35421 -3.80277 -3.17954 -2.22563 -5.39874 136 4PX -0.00358 0.04474 0.05261 0.04495 0.04300 137 4PY 0.04326 0.01851 0.00471 0.00997 0.04288 138 4PZ 0.00686 -0.00822 -0.01815 0.00187 -0.03420 139 5PX 0.11310 -1.07578 -1.50155 -1.14974 -1.21073 140 5PY -1.31479 -0.40945 0.09406 -0.26197 -1.11894 141 5PZ -0.24923 0.34132 0.39244 0.12915 1.10483 142 6PX -0.23638 -0.39611 -0.56739 -0.24444 -0.30759 143 6PY 0.06380 -1.03691 -0.03533 -0.30185 -0.89539 144 6PZ -0.52985 0.43348 -0.24428 -0.16765 -0.22084 145 7D 0 -0.01181 0.01902 0.04260 -0.01600 0.01950 146 7D+1 -0.03012 0.04461 0.03088 -0.04495 0.06408 147 7D-1 0.00233 0.01269 0.00958 0.00165 0.05109 148 7D+2 0.05762 0.00818 -0.10057 -0.06467 0.00701 149 7D-2 -0.10989 0.01815 0.00026 -0.02341 -0.05071 150 8D 0 0.00281 0.01239 0.00906 0.00286 -0.00531 151 8D+1 -0.01060 0.01190 0.00613 0.01612 0.01839 152 8D-1 0.00656 0.00870 0.00444 -0.00125 0.00836 153 8D+2 0.01570 -0.00890 -0.02311 -0.00924 -0.00699 154 8D-2 -0.03015 0.00354 -0.00297 -0.00628 -0.01808 155 8 Cu 1S 0.01195 0.01560 0.02162 -0.00594 -0.00268 156 2S 0.05292 -0.01414 0.17100 -0.03487 -0.01172 157 3S -0.25942 -3.77885 4.80045 -1.02072 -0.13598 158 4PX -0.03302 0.02397 -0.01682 0.00327 0.00107 159 4PY -0.00296 -0.04760 0.05640 -0.01145 -0.00050 160 4PZ 0.00836 -0.00073 0.05658 -0.00592 -0.00394 161 5PX 0.66199 -0.47988 0.43481 -0.00159 0.00429 162 5PY 0.32574 1.47110 -1.17066 -0.04755 -0.00143 163 5PZ -0.30414 -0.29894 -1.46858 0.18129 0.05921 164 6PX 0.23946 -0.00821 0.00528 0.00694 0.41982 165 6PY -0.15229 0.17142 -0.95495 0.14399 0.14464 166 6PZ -0.04950 -0.29443 0.28386 -0.14147 0.01960 167 7D 0 0.01761 0.06251 0.03377 -0.00309 0.00304 168 7D+1 -0.03142 0.00373 -0.02932 0.00018 0.01969 169 7D-1 -0.01961 -0.01017 0.04799 -0.03642 -0.00391 170 7D+2 0.05392 0.04752 -0.03980 -0.01476 -0.00112 171 7D-2 -0.06817 0.05551 -0.01305 0.00250 -0.01316 172 8D 0 0.01791 0.03818 0.02143 -0.00888 0.00262 173 8D+1 -0.00862 -0.00630 -0.01249 -0.00073 0.00544 174 8D-1 -0.00508 -0.01532 0.01258 0.00646 0.00309 175 8D+2 0.00947 0.02176 -0.00877 -0.01010 0.00002 176 8D-2 -0.00022 0.01086 -0.00854 -0.00843 -0.00310 177 9 C 1S -0.00281 -0.00219 0.00068 -0.02046 0.00103 178 2S -0.00596 0.00824 -0.06984 0.06155 0.00333 179 3S 0.15916 0.10417 0.48800 0.32023 -0.06745 180 4PX -0.22420 0.08844 0.04086 -0.01924 0.02448 181 4PY -0.03283 0.08941 -0.06165 0.00029 0.00582 182 4PZ -0.09028 -0.20602 0.12285 0.03596 0.00263 183 5PX -0.34053 0.13493 -0.05331 0.00145 0.07451 184 5PY -0.12563 -0.14951 0.38774 0.25649 -0.01589 185 5PZ -0.01934 0.03507 0.28385 -0.40130 -0.02113 186 10 O 1S 0.00608 0.01005 0.00124 0.00482 -0.00038 187 2S -0.01202 -0.01465 -0.02089 -0.01103 0.00185 188 3S -0.08306 -0.15176 0.07181 -0.04915 -0.00014 189 4PX 0.05105 -0.01363 -0.00761 0.00577 -0.00899 190 4PY 0.00321 -0.00720 0.00780 -0.03065 -0.00064 191 4PZ 0.00326 0.01374 -0.02538 0.00520 -0.00008 192 5PX 0.13008 -0.02795 -0.00930 0.01052 -0.02070 193 5PY -0.00696 -0.06032 -0.02252 -0.08469 0.00091 194 5PZ 0.00465 -0.00339 -0.06067 0.07264 0.00357 136 137 138 139 140 V V V V V EIGENVALUES -- 0.31129 0.32195 0.34129 0.37594 0.40362 1 1 Cu 1S 0.02352 -0.00199 0.01573 0.01789 0.00127 2 2S 0.16325 -0.02950 0.28101 0.09810 0.00501 3 3S 2.42374 -1.02121 10.51358 2.72174 0.14796 4 4PX 0.00052 0.05738 -0.03121 0.01002 0.01734 5 4PY -0.01834 0.00430 0.10465 -0.04261 -0.00068 6 4PZ 0.03427 0.00169 0.09350 0.01658 0.00309 7 5PX -0.27162 -2.83521 1.19267 -0.50118 -0.00620 8 5PY 1.27422 -0.29191 -4.23010 1.60470 0.13749 9 5PZ -0.86504 -0.21629 -3.06434 -0.16353 0.01858 10 6PX -1.70049 -3.62676 2.20326 -2.22281 -2.58314 11 6PY 3.49451 0.50932 -6.00754 4.71165 0.10328 12 6PZ 0.85508 -0.26305 -3.48097 1.11483 -0.33016 13 7D 0 0.08466 0.01850 -0.00232 0.02056 0.00338 14 7D+1 -0.02802 0.06991 -0.01457 -0.00834 0.00653 15 7D-1 0.03493 0.03018 0.09205 0.00581 0.00693 16 7D+2 0.04001 -0.04894 -0.03705 -0.00796 -0.01150 17 7D-2 0.00625 0.09259 -0.01853 -0.00576 0.02162 18 8D 0 0.01740 0.00372 0.00716 -0.01030 -0.00336 19 8D+1 -0.00843 0.01738 -0.00503 0.00702 -0.00764 20 8D-1 0.01818 0.01058 0.01643 -0.01967 -0.00802 21 8D+2 0.00406 -0.01983 -0.00291 -0.00546 0.01205 22 8D-2 -0.00013 0.03693 -0.00080 0.00546 -0.02605 23 2 Cu 1S 0.01134 -0.00318 0.00141 -0.01500 -0.00181 24 2S 0.14908 -0.02046 -0.05879 -0.03710 -0.00521 25 3S 5.74332 0.21586 -6.25873 2.66029 0.26485 26 4PX 0.01266 0.07219 -0.02144 0.00913 -0.03606 27 4PY -0.06864 0.01236 0.10273 -0.01831 -0.00753 28 4PZ 0.01879 0.00933 0.03485 -0.01721 -0.00778 29 5PX -0.47546 -2.90331 0.95976 -0.43057 1.58189 30 5PY 2.58313 -0.45571 -4.32190 0.66529 0.34301 31 5PZ -0.78995 -0.39263 -1.82645 0.86011 0.34138 32 6PX -0.10314 0.01856 0.29414 -0.26103 4.96042 33 6PY 0.84401 0.04204 -0.92787 -0.49172 0.88610 34 6PZ 0.36407 0.14902 -0.86865 2.20086 1.04960 35 7D 0 0.00549 -0.00629 0.00761 -0.02614 -0.00516 36 7D+1 0.00058 -0.01749 0.00480 0.01145 -0.01307 37 7D-1 -0.07115 -0.01472 -0.04946 -0.02652 -0.00961 38 7D+2 -0.03086 0.03655 0.00043 -0.00913 0.01224 39 7D-2 0.00171 -0.09434 -0.00048 0.00219 -0.03162 40 8D 0 -0.00251 -0.00340 0.00319 -0.03301 -0.00475 41 8D+1 0.00297 -0.01111 -0.00107 0.00736 -0.00691 42 8D-1 -0.00983 -0.00399 0.00444 -0.01478 -0.00527 43 8D+2 0.00489 0.01107 0.00462 -0.03078 0.00877 44 8D-2 0.00071 -0.02666 0.00133 -0.00872 -0.02204 45 3 Cu 1S -0.01223 0.01608 -0.01520 -0.02300 0.01349 46 2S -0.20252 0.18457 -0.09757 -0.06053 0.02096 47 3S -5.93941 4.81569 -1.33441 0.68027 -0.83817 48 4PX -0.05298 0.07273 -0.01351 -0.00107 0.00398 49 4PY -0.00278 0.01766 -0.02055 -0.00551 0.00097 50 4PZ 0.07734 -0.02130 0.01936 0.01140 0.00959 51 5PX 1.00809 -2.57256 0.37228 -0.09758 0.08142 52 5PY 0.31876 -0.46503 -0.34432 0.05838 0.28347 53 5PZ -2.09064 0.06165 -0.92644 -0.26942 -0.09338 54 6PX 1.01962 -0.45293 -0.13601 0.28721 -0.13383 55 6PY -0.50608 0.06940 0.90213 -0.68348 0.71707 56 6PZ -0.67023 0.20491 -0.23597 -0.07977 0.50576 57 7D 0 -0.03673 -0.06591 -0.04110 -0.03041 -0.00360 58 7D+1 0.05201 -0.02498 0.06057 0.00524 0.00407 59 7D-1 0.02873 0.01776 -0.02493 -0.01034 0.02784 60 7D+2 0.04262 0.03561 -0.00908 0.00248 0.01992 61 7D-2 0.01649 0.02525 0.04948 0.00182 0.00372 62 8D 0 -0.00009 -0.02263 -0.02778 0.00539 0.01703 63 8D+1 0.01225 -0.01863 0.01655 -0.00285 0.00098 64 8D-1 0.01231 0.00291 -0.00561 0.00967 -0.01418 65 8D+2 0.01825 0.02858 -0.03322 -0.01078 0.00125 66 8D-2 -0.00014 0.01653 0.00363 -0.00559 -0.01113 67 4 Cu 1S -0.00895 -0.01145 -0.01985 -0.02247 -0.01426 68 2S -0.19157 -0.15203 -0.13601 -0.06617 -0.02402 69 3S -6.22803 -4.17550 -1.80738 0.15267 0.84290 70 4PX 0.02196 0.05607 0.02062 0.00066 0.00702 71 4PY 0.01122 0.01235 -0.01184 -0.00571 0.00132 72 4PZ 0.08677 0.03497 0.03229 0.01300 -0.00574 73 5PX -0.38306 -2.30437 -0.20582 0.01599 0.15005 74 5PY 0.00605 -0.53794 -0.48877 0.07169 -0.25141 75 5PZ -2.28475 -0.61996 -1.09344 -0.28738 0.09621 76 6PX -0.32776 -0.30614 -0.36798 0.30504 0.29941 77 6PY -0.83481 -0.57521 0.80515 -0.71378 -0.82997 78 6PZ -0.94966 -0.23258 -0.17110 -0.23779 -0.52825 79 7D 0 -0.05225 0.05489 -0.05386 -0.02675 0.00421 80 7D+1 -0.01248 -0.05511 -0.01477 0.01329 0.00648 81 7D-1 0.01707 -0.02773 -0.06150 -0.00600 -0.02768 82 7D+2 0.06093 -0.03439 0.02957 0.00033 -0.02000 83 7D-2 0.01756 -0.00144 -0.02579 0.00396 -0.00367 84 8D 0 -0.00662 0.01261 -0.03290 0.00429 -0.01399 85 8D+1 -0.00965 -0.03338 -0.00662 -0.01012 0.00569 86 8D-1 0.00512 -0.01092 -0.01174 0.00429 0.01184 87 8D+2 0.01733 -0.02075 -0.02384 -0.01088 0.00488 88 8D-2 0.01073 0.00229 -0.02081 -0.00460 -0.01215 89 5 Cu 1S 0.01046 0.00195 -0.00230 0.01333 0.03886 90 2S 0.07311 0.12506 -0.01449 0.04130 0.08725 91 3S 2.21525 5.70389 -1.50569 0.22044 -2.13851 92 4PX 0.00654 0.05205 -0.00976 -0.00765 -0.00511 93 4PY -0.00783 -0.00853 -0.01622 0.01205 0.00573 94 4PZ 0.02053 0.04159 0.00123 0.01133 -0.00087 95 5PX -0.16412 -1.91016 0.50158 0.03939 0.35901 96 5PY 0.52283 0.04040 -0.44280 0.02354 0.40680 97 5PZ -0.80846 -1.08956 -0.42973 -0.16273 0.34217 98 6PX -0.30614 -0.38171 0.16124 0.18601 -0.58949 99 6PY -0.06937 0.48963 0.45154 0.03693 1.38159 100 6PZ 0.05362 0.05849 0.33483 -0.13403 0.52492 101 7D 0 0.03084 -0.02811 0.03613 0.03701 -0.00241 102 7D+1 -0.01154 0.02562 0.00887 0.00426 -0.02475 103 7D-1 -0.05339 0.05764 -0.00713 0.01557 -0.02090 104 7D+2 -0.02233 -0.01034 -0.02799 0.01729 0.00112 105 7D-2 -0.00480 -0.02327 0.03567 -0.00483 -0.02467 106 8D 0 0.01103 -0.01236 0.01373 -0.01902 0.00634 107 8D+1 0.00941 0.02698 0.00640 -0.00557 -0.00252 108 8D-1 -0.01202 -0.00239 0.02578 -0.01789 -0.01854 109 8D+2 0.00544 0.02753 -0.01777 0.00555 0.01173 110 8D-2 -0.01943 0.00010 0.03556 -0.01120 -0.00239 111 6 Cu 1S -0.00818 -0.00130 0.04593 0.00011 0.00067 112 2S 0.09285 -0.00094 0.14234 -0.01443 0.00183 113 3S 7.21757 0.12759 -2.09415 -0.83457 0.02238 114 4PX 0.00226 0.00340 0.00495 0.00173 -0.00174 115 4PY 0.04975 0.00476 -0.01059 -0.00910 0.00008 116 4PZ -0.05040 0.00093 -0.00153 -0.00194 -0.00073 117 5PX -0.08186 -0.36861 0.03347 -0.13530 -0.02666 118 5PY -1.13889 -0.14342 0.09062 0.58791 0.01332 119 5PZ 1.12871 -0.02220 -0.52336 0.03099 0.01242 120 6PX 0.16623 -0.06353 -0.40130 0.26216 -0.20216 121 6PY -1.37344 -0.28973 1.24991 -0.69729 -0.11812 122 6PZ 0.41604 -0.20120 0.48937 -0.55310 -0.06784 123 7D 0 -0.02835 0.00916 0.03005 -0.00272 0.00497 124 7D+1 -0.01468 0.03817 -0.00976 -0.00548 0.01701 125 7D-1 0.03394 0.00520 0.02975 0.04120 0.00452 126 7D+2 -0.04504 -0.01259 0.01519 0.01980 0.00055 127 7D-2 -0.02609 0.01971 0.00221 0.00008 -0.00502 128 8D 0 0.01881 0.00374 -0.02276 0.01160 -0.00278 129 8D+1 -0.01260 0.00516 0.01391 -0.00323 -0.01354 130 8D-1 0.02086 0.00433 -0.01098 0.00427 -0.00037 131 8D+2 -0.00851 -0.00787 0.00618 0.00224 -0.00157 132 8D-2 -0.00733 0.01117 0.00662 -0.00052 0.00806 133 7 Cu 1S 0.01149 0.00007 -0.00471 0.01720 -0.03342 134 2S 0.06463 -0.11345 -0.03822 0.04261 -0.07237 135 3S 1.14592 -5.11725 -1.60974 -1.01711 2.18918 136 4PX -0.00278 0.05023 0.01964 0.00225 -0.00344 137 4PY -0.00994 0.02640 -0.00696 0.01640 -0.00631 138 4PZ 0.01297 -0.02457 0.00349 0.01169 0.00044 139 5PX -0.02401 -1.87084 -0.31953 -0.21624 0.57738 140 5PY 0.49808 -0.65981 -0.62952 -0.11880 -0.23008 141 5PZ -0.65186 0.50594 -0.51643 -0.15509 -0.18568 142 6PX 0.37173 -0.00240 -0.48494 -0.00496 0.14999 143 6PY -0.15468 -0.69488 0.34896 -0.21192 -1.53489 144 6PZ -0.03377 -0.06928 0.37041 -0.45085 -0.61062 145 7D 0 0.03574 0.02969 0.02974 0.03239 -0.01180 146 7D+1 0.00798 0.02833 -0.02614 -0.02139 -0.02164 147 7D-1 -0.04918 -0.04716 -0.04000 0.00846 0.00290 148 7D+2 -0.03531 0.01205 0.01554 0.01449 0.02882 149 7D-2 0.00050 0.01285 -0.03687 0.00592 -0.01737 150 8D 0 0.01111 0.02134 0.00392 -0.00576 -0.00945 151 8D+1 -0.01097 0.00660 -0.01798 0.01944 -0.00532 152 8D-1 -0.00958 0.00440 0.01043 -0.00877 0.01342 153 8D+2 -0.00490 -0.02466 0.00911 -0.00787 -0.00602 154 8D-2 0.02019 -0.01714 -0.04332 0.01378 -0.01300 155 8 Cu 1S 0.02699 0.00572 -0.05302 0.00199 0.00250 156 2S 0.02043 0.02747 -0.17834 -0.03575 0.00104 157 3S -6.83656 -0.60769 4.99286 -4.54065 -0.49471 158 4PX 0.01715 -0.01410 0.00271 0.00864 -0.01320 159 4PY -0.03276 0.00135 -0.01213 -0.02804 -0.00552 160 4PZ -0.04479 -0.00058 -0.00081 -0.01589 -0.00413 161 5PX -0.60255 0.45401 0.46497 -0.33366 0.15341 162 5PY 1.24516 0.19373 -1.30844 1.13634 0.14469 163 5PZ 1.53124 0.10812 -0.39929 0.48931 0.08631 164 6PX -0.06659 0.42336 -0.08266 0.13877 -0.08294 165 6PY 0.90735 0.16715 -0.47584 0.52903 0.02353 166 6PZ -0.25224 -0.12816 0.95561 -0.66168 -0.07928 167 7D 0 -0.02206 -0.00545 -0.05302 0.01154 -0.00140 168 7D+1 0.04174 -0.01255 0.00032 0.01606 -0.00339 169 7D-1 -0.09092 -0.01486 -0.02375 -0.03081 -0.00822 170 7D+2 0.02109 0.04982 -0.08227 0.04541 0.01693 171 7D-2 0.03152 -0.06955 -0.05415 0.02665 -0.01651 172 8D 0 -0.01469 0.00108 -0.00906 0.00462 0.00155 173 8D+1 0.01318 -0.00476 -0.01693 -0.00100 0.00250 174 8D-1 -0.02160 -0.00601 0.03857 -0.00211 0.00328 175 8D+2 0.02021 0.00448 -0.03702 0.00637 -0.00903 176 8D-2 0.01431 0.00333 -0.02655 0.00350 0.01375 177 9 C 1S -0.01266 -0.00304 0.06053 -0.01780 -0.00114 178 2S -0.02948 0.00240 -0.04017 0.05634 0.00235 179 3S 0.69107 0.08986 -2.13558 0.37987 0.02599 180 4PX 0.01659 0.10900 -0.00390 -0.11206 0.81847 181 4PY 0.03327 0.02920 -0.04012 -0.31033 0.13733 182 4PZ -0.11171 -0.00544 0.11744 0.72737 0.17827 183 5PX -0.05759 0.42152 0.13330 0.23325 -1.97571 184 5PY -0.04519 0.04741 -0.28794 0.67155 -0.33109 185 5PZ 0.52442 0.08864 -0.40286 -1.42469 -0.42092 186 10 O 1S 0.00977 0.00172 -0.02450 0.00475 0.00020 187 2S -0.02396 -0.00273 0.06199 -0.00917 -0.00028 188 3S -0.12233 -0.03055 0.30653 -0.07788 -0.00502 189 4PX 0.01206 -0.04659 -0.03303 -0.00689 0.10769 190 4PY -0.00648 -0.01535 0.10329 -0.08324 0.01389 191 4PZ -0.06369 -0.01305 0.04894 0.09161 0.02232 192 5PX 0.01944 -0.09355 -0.06601 -0.01245 0.18039 193 5PY -0.05465 -0.02976 0.22690 -0.06872 0.03125 194 5PZ -0.09338 -0.02167 0.13377 0.07999 0.03693 141 142 143 144 145 V V V V V EIGENVALUES -- 0.52882 0.62694 0.63102 0.64245 0.67019 1 1 Cu 1S 0.04450 -0.13559 0.06520 -0.02408 -0.01245 2 2S 0.06035 -0.23639 0.13425 -0.04511 -0.02044 3 3S -1.25579 4.39305 -1.05393 0.65589 0.38739 4 4PX -0.00100 -0.00106 -0.00290 -0.01726 0.00400 5 4PY 0.00214 -0.00106 -0.00048 -0.00511 0.00098 6 4PZ 0.00217 0.00808 0.00213 -0.00457 0.00028 7 5PX -0.03888 0.00816 0.12291 0.73198 0.07982 8 5PY 0.18693 0.10231 0.01643 0.20774 0.02945 9 5PZ 0.07855 -0.35745 0.06383 0.14009 -0.00786 10 6PX 0.11529 -0.60424 0.55165 2.54164 1.60531 11 6PY -1.46398 1.77339 -0.65273 0.59916 0.63531 12 6PZ 0.37751 0.77050 -0.12579 0.58268 0.33709 13 7D 0 -0.00096 0.14958 0.11036 -0.02072 0.07513 14 7D+1 0.00634 -0.05927 -0.05657 -0.03068 0.19755 15 7D-1 -0.03382 0.11904 0.04326 0.02645 0.03696 16 7D+2 -0.00305 0.04090 -0.02452 -0.06749 -0.06002 17 7D-2 0.00853 -0.02714 0.02635 0.17857 0.03558 18 8D 0 0.01901 -0.22385 -0.13824 0.02101 -0.10399 19 8D+1 -0.00291 0.08880 0.07645 0.03516 -0.27595 20 8D-1 0.01003 -0.18201 -0.07081 -0.04112 -0.05293 21 8D+2 0.02751 -0.06241 0.04687 0.10111 0.08362 22 8D-2 0.00497 0.03754 -0.03084 -0.26498 -0.04366 23 2 Cu 1S -0.07564 0.01398 -0.01200 0.00208 0.00439 24 2S -0.23851 0.02638 -0.02684 0.00829 0.00277 25 3S 2.83054 1.61558 -0.62669 0.36537 0.51281 26 4PX 0.00903 0.00336 -0.00099 -0.00653 -0.01951 27 4PY -0.03996 -0.00934 -0.00588 -0.00255 -0.00457 28 4PZ -0.00874 -0.00594 0.00640 -0.00400 -0.00308 29 5PX 0.03271 -0.08360 0.10797 0.49592 0.49451 30 5PY 0.03150 0.00224 -0.03511 0.20471 0.08488 31 5PZ -0.21783 0.27291 -0.05602 0.16967 0.05970 32 6PX 0.21241 -0.03345 -0.10361 -0.96837 -0.62831 33 6PY 0.01365 -0.15764 0.14451 -0.20653 0.08391 34 6PZ -1.07207 0.11833 -0.23443 -0.12984 0.06521 35 7D 0 0.05620 -0.09472 -0.16810 0.04015 -0.06152 36 7D+1 0.02733 0.02992 0.07810 0.00821 -0.19177 37 7D-1 -0.09629 -0.11942 -0.00294 -0.04434 -0.04302 38 7D+2 0.13819 -0.15216 0.09891 0.04741 0.06536 39 7D-2 0.06797 -0.01713 -0.01239 -0.24021 -0.01229 40 8D 0 -0.08901 0.13398 0.25224 -0.06208 0.09069 41 8D+1 -0.04147 -0.03553 -0.11945 -0.00888 0.28425 42 8D-1 0.15626 0.16361 0.01996 0.06246 0.06477 43 8D+2 -0.20580 0.24560 -0.14758 -0.06502 -0.09608 44 8D-2 -0.10402 0.03766 0.01124 0.34904 0.02184 45 3 Cu 1S 0.00351 0.00526 -0.03800 0.03294 -0.00714 46 2S 0.00753 0.05780 -0.05918 0.02164 -0.03805 47 3S -0.71857 1.49381 0.15683 -1.14416 -0.85559 48 4PX -0.00183 0.00452 0.00510 -0.00922 -0.01201 49 4PY 0.00678 -0.00183 -0.00176 -0.00171 0.00788 50 4PZ 0.00020 -0.00920 -0.00323 0.00244 0.01091 51 5PX 0.03070 -0.07420 -0.08007 0.53951 0.34947 52 5PY 0.12298 0.10061 0.13699 0.11528 -0.01324 53 5PZ -0.01513 0.25993 0.15326 0.00263 -0.16538 54 6PX -0.19803 0.30599 0.05402 0.36849 0.12763 55 6PY 0.80734 -0.08846 -0.14263 -0.42427 -0.22265 56 6PZ 0.01569 0.22772 0.21791 0.22894 0.01244 57 7D 0 -0.02532 -0.03151 -0.04422 0.01277 -0.13094 58 7D+1 0.01942 -0.19550 -0.02964 0.02212 0.08066 59 7D-1 -0.00148 -0.03051 -0.12657 0.18617 -0.05368 60 7D+2 -0.02665 0.06871 0.10194 0.01841 -0.09470 61 7D-2 -0.00743 0.11287 -0.16726 -0.00374 -0.05100 62 8D 0 0.03793 0.04288 0.06613 -0.00297 0.18603 63 8D+1 -0.02917 0.26823 0.02857 -0.02131 -0.09963 64 8D-1 0.00542 0.03116 0.18720 -0.26043 0.07755 65 8D+2 0.04661 -0.10592 -0.13988 -0.03101 0.12608 66 8D-2 0.00537 -0.16431 0.21647 -0.01607 0.06936 67 4 Cu 1S 0.00129 0.00298 -0.05053 -0.01163 0.02653 68 2S 0.00489 0.05019 -0.07083 0.01877 0.07532 69 3S -0.66269 1.56658 0.54623 1.12662 0.51146 70 4PX -0.00068 -0.00011 -0.00483 -0.00644 -0.00158 71 4PY 0.00720 -0.00326 -0.00266 -0.00010 -0.00998 72 4PZ -0.00028 -0.00977 -0.00483 -0.00332 -0.01404 73 5PX -0.05584 -0.07975 0.13008 0.47622 0.18624 74 5PY 0.10964 0.11716 0.16004 0.04229 0.12404 75 5PZ -0.01538 0.27038 0.19849 0.12662 0.22525 76 6PX -0.01908 -0.35470 0.05626 0.21954 0.01824 77 6PY 0.78578 -0.16216 0.03557 0.56462 -0.00187 78 6PZ 0.01461 0.13828 0.09524 -0.17722 -0.04340 79 7D 0 -0.03286 0.09167 -0.00073 0.02457 0.17189 80 7D+1 -0.00761 0.19603 0.10754 0.07423 0.02192 81 7D-1 -0.00972 0.03628 -0.09406 -0.12877 0.07898 82 7D+2 -0.02194 0.05464 -0.08206 -0.00212 0.09144 83 7D-2 -0.00809 -0.06409 0.21020 -0.04809 0.00842 84 8D 0 0.04961 -0.12593 0.00658 -0.04457 -0.23619 85 8D+1 0.01202 -0.27190 -0.14252 -0.08556 -0.02017 86 8D-1 0.01941 -0.05795 0.14565 0.17178 -0.10839 87 8D+2 0.03440 -0.09157 0.10812 0.01771 -0.12313 88 8D-2 0.01966 0.09304 -0.28987 0.05617 -0.00960 89 5 Cu 1S -0.00887 0.15661 -0.03551 0.09105 0.04216 90 2S -0.01085 0.31089 -0.08150 0.13575 0.06162 91 3S -0.15620 -2.32318 -0.17771 -2.44815 -1.13018 92 4PX -0.00147 -0.00046 -0.00681 -0.00571 -0.00145 93 4PY 0.00417 0.00159 0.00930 0.00765 0.00304 94 4PZ 0.00432 -0.00317 0.00540 -0.00309 0.00142 95 5PX -0.01399 0.38663 0.11782 0.61739 0.23285 96 5PY 0.09510 -0.11727 -0.17365 -0.13588 0.11282 97 5PZ -0.00635 0.34608 -0.05172 0.30126 0.12195 98 6PX 0.08635 0.42210 -0.17795 0.09140 0.06516 99 6PY 0.16135 -0.31513 0.01834 -0.65133 -0.47388 100 6PZ 0.01451 0.37362 0.01227 -0.15972 -0.18787 101 7D 0 0.00653 -0.03957 0.12406 -0.07821 0.09921 102 7D+1 -0.00022 0.03949 -0.00429 -0.10863 -0.14270 103 7D-1 0.03619 0.02171 0.10639 -0.06929 0.07563 104 7D+2 -0.02057 0.03329 -0.04987 -0.14090 0.01207 105 7D-2 0.03662 -0.06479 0.04243 0.02492 -0.07551 106 8D 0 -0.01109 0.04841 -0.15845 0.12909 -0.14250 107 8D+1 0.00182 -0.08851 0.01187 0.11275 0.18380 108 8D-1 -0.04834 -0.01947 -0.14285 0.08848 -0.13266 109 8D+2 0.03354 -0.05909 0.05666 0.17043 -0.02560 110 8D-2 -0.04651 0.09275 -0.03251 -0.02503 0.09384 111 6 Cu 1S -0.04271 0.15481 -0.07257 0.02340 -0.00301 112 2S -0.09648 0.28078 -0.15312 0.04720 -0.00279 113 3S 0.34149 -3.25557 -0.64413 0.07530 0.10037 114 4PX -0.00073 0.00212 -0.00308 -0.00008 0.00294 115 4PY -0.00514 -0.00829 -0.00782 0.00042 0.00074 116 4PZ 0.00475 -0.00083 0.01937 -0.00506 0.00117 117 5PX 0.02918 -0.07058 0.06789 0.02168 0.12121 118 5PY -0.01673 0.69681 0.09567 0.04284 0.00428 119 5PZ -0.05573 -0.30634 -0.33763 0.09508 0.01586 120 6PX -0.10040 0.24356 0.01320 0.10488 -0.02999 121 6PY -0.17217 -0.08680 0.22124 0.00684 -0.07272 122 6PZ 0.49634 -0.74509 -0.14135 0.03605 -0.12195 123 7D 0 -0.00860 -0.05505 -0.02607 0.05028 -0.06691 124 7D+1 0.00398 0.02420 -0.00629 0.12686 -0.17179 125 7D-1 0.01581 -0.08548 0.14651 -0.02151 -0.06863 126 7D+2 0.01029 -0.01596 -0.12108 0.02051 0.05688 127 7D-2 0.00023 0.02082 -0.08932 -0.06058 -0.07803 128 8D 0 0.00688 0.06953 0.01856 -0.07043 0.09713 129 8D+1 -0.00474 -0.02477 0.00870 -0.19077 0.24507 130 8D-1 -0.02062 0.13788 -0.19289 0.02518 0.09401 131 8D+2 -0.01860 0.05782 0.16151 -0.02025 -0.07197 132 8D-2 -0.00286 -0.01699 0.11789 0.07789 0.08164 133 7 Cu 1S -0.01199 0.17044 -0.06087 -0.03760 -0.03538 134 2S -0.01823 0.33633 -0.11765 -0.03258 -0.05237 135 3S -0.19211 -2.66493 0.56688 1.76410 0.69637 136 4PX -0.00179 0.00047 0.00002 -0.00235 0.00345 137 4PY 0.00521 0.00140 0.00855 -0.01164 -0.00295 138 4PZ 0.00447 -0.00208 0.00684 -0.00136 -0.00207 139 5PX -0.01309 -0.48244 0.15953 0.43970 0.18336 140 5PY 0.08285 -0.28581 -0.08738 0.36102 -0.04037 141 5PZ -0.00318 0.21062 -0.10147 -0.01882 -0.01937 142 6PX -0.14651 -0.38811 0.06021 -0.32821 -0.22335 143 6PY 0.10873 -0.46197 0.21273 0.50502 0.35123 144 6PZ -0.05409 0.26536 0.06870 0.09762 0.15699 145 7D 0 0.00171 -0.05553 0.09416 -0.03208 -0.15792 146 7D+1 -0.01347 -0.01403 -0.13050 -0.04431 -0.01152 147 7D-1 0.01729 0.03247 0.07740 0.02734 -0.11080 148 7D+2 0.01720 -0.02642 0.07315 0.12209 0.06663 149 7D-2 -0.04779 0.05856 -0.04424 0.13957 -0.02667 150 8D 0 -0.00488 0.09195 -0.13590 0.01322 0.21441 151 8D+1 0.02053 0.04326 0.16480 0.05769 -0.00049 152 8D-1 -0.02240 -0.02832 -0.11340 -0.02719 0.17049 153 8D+2 -0.01607 0.01739 -0.08314 -0.15877 -0.07023 154 8D-2 0.06682 -0.10455 0.04771 -0.16516 0.02493 155 8 Cu 1S -0.00327 0.07803 -0.05184 0.01808 0.00513 156 2S 0.00965 0.15937 -0.10082 0.03001 0.00878 157 3S 0.50130 -0.87692 1.38079 -0.43392 -0.20398 158 4PX -0.00217 0.00139 -0.00321 -0.00211 0.00517 159 4PY 0.00442 0.00551 -0.00264 -0.00248 0.00028 160 4PZ 0.00241 -0.00293 0.00403 -0.00328 0.00148 161 5PX 0.03239 -0.04091 0.09632 -0.12530 -0.11182 162 5PY -0.06652 0.07956 -0.06932 0.06161 0.02318 163 5PZ -0.05683 -0.00988 -0.29231 0.08890 -0.01798 164 6PX 0.04599 0.03355 -0.02992 -0.49533 -0.22972 165 6PY -0.01434 0.46980 -0.27028 -0.01312 0.00560 166 6PZ 0.06577 -0.71367 0.01691 -0.09681 -0.06746 167 7D 0 0.01825 -0.10796 0.08152 -0.05117 0.06303 168 7D+1 -0.00927 0.04765 -0.04420 -0.05426 0.13175 169 7D-1 0.00828 -0.02470 -0.09574 -0.01605 0.02858 170 7D+2 0.00407 -0.04870 0.00858 0.03337 -0.01056 171 7D-2 -0.00208 -0.00382 0.00432 -0.02575 -0.05290 172 8D 0 -0.01836 0.13474 -0.09287 0.06692 -0.08742 173 8D+1 0.00939 -0.05591 0.05115 0.07950 -0.18701 174 8D-1 -0.00751 0.02643 0.13726 0.02054 -0.04199 175 8D+2 -0.00439 0.07165 -0.01039 -0.04718 0.01700 176 8D-2 0.00233 0.00986 -0.00605 0.04604 0.07956 177 9 C 1S 0.03389 -0.00024 -0.00310 -0.00257 0.00839 178 2S -0.14584 -0.03273 0.17941 -0.01764 0.05646 179 3S -2.24867 -0.22497 -0.05264 0.02220 -0.04365 180 4PX -0.24338 -0.06181 0.01523 0.00127 -0.00590 181 4PY 0.97297 0.18913 -0.02594 0.00808 0.06641 182 4PZ 0.36648 0.13853 -0.04958 0.01280 0.02772 183 5PX 0.08926 0.06094 -0.02678 -0.19285 -0.14308 184 5PY -0.45745 -0.01030 -0.06595 0.00371 -0.13650 185 5PZ -0.02348 -0.21716 0.02453 -0.03454 -0.05802 186 10 O 1S -0.09408 -0.01010 0.00684 -0.00114 0.00124 187 2S 0.26686 0.01459 -0.00525 -0.00247 0.00933 188 3S 0.89290 0.12816 -0.07049 0.02464 -0.03888 189 4PX -0.02920 0.04919 -0.07070 -0.39804 -0.19638 190 4PY 0.08811 0.16267 0.12488 -0.10821 0.08340 191 4PZ 0.05163 -0.27105 -0.16728 -0.05772 0.03997 192 5PX -0.32184 -0.13526 0.13241 0.58385 0.30978 193 5PY 1.29457 0.01123 -0.28217 0.17401 -0.08736 194 5PZ 0.51237 0.49585 0.17713 0.09571 -0.04353 146 147 148 149 150 V V V V V EIGENVALUES -- 0.67251 0.67393 0.71060 0.71772 0.73450 1 1 Cu 1S -0.06543 -0.05848 -0.08657 -0.00815 -0.00072 2 2S -0.13625 -0.06911 -0.09279 -0.01004 -0.00029 3 3S 0.75780 3.00326 3.70597 0.33168 0.03864 4 4PX 0.00064 -0.00419 0.00090 -0.02102 0.02447 5 4PY 0.00099 0.02613 -0.00108 -0.00402 0.00559 6 4PZ -0.00649 -0.00213 0.00960 -0.00379 0.00506 7 5PX -0.07174 0.15911 0.10697 0.28074 -0.17100 8 5PY 0.18782 -0.89460 -0.10346 0.04303 -0.06815 9 5PZ 0.03085 -0.08227 -0.74998 0.01870 -0.04297 10 6PX -1.12964 0.07298 -0.18621 0.81551 0.49009 11 6PY 2.80129 -1.00165 0.72262 0.11032 0.00498 12 6PZ 0.22995 -0.02173 -0.75479 0.09607 0.06668 13 7D 0 0.00084 0.11638 0.04449 -0.05481 -0.02030 14 7D+1 -0.03403 -0.03916 -0.01135 -0.20255 -0.06315 15 7D-1 -0.05263 -0.08710 0.12676 0.00771 -0.04403 16 7D+2 -0.02782 -0.12180 0.14241 -0.02283 0.06686 17 7D-2 -0.00979 -0.03803 0.01555 0.17505 -0.13698 18 8D 0 0.00651 -0.19164 -0.05462 0.09697 0.03078 19 8D+1 0.04899 0.05773 0.00458 0.35337 0.09914 20 8D-1 0.05888 0.14404 -0.17402 -0.00637 0.06417 21 8D+2 0.04743 0.16676 -0.22338 0.03296 -0.09567 22 8D-2 0.01648 0.04754 -0.03035 -0.28322 0.18451 23 2 Cu 1S 0.02935 -0.01034 0.02533 0.00204 -0.00027 24 2S 0.01691 -0.05903 0.03030 0.00461 -0.00297 25 3S 3.40720 -0.85749 -0.49421 0.03568 -0.15212 26 4PX 0.00480 0.00089 -0.00294 -0.00063 -0.01496 27 4PY -0.00937 0.00990 -0.00101 -0.00033 -0.00074 28 4PZ 0.00099 -0.00942 0.01698 0.00056 -0.00247 29 5PX -0.06034 0.05270 0.14309 0.04189 0.49290 30 5PY 0.04731 -0.59723 -0.14253 0.01690 0.02357 31 5PZ -0.17387 0.13593 -0.70374 -0.00845 0.08243 32 6PX -0.26060 0.05915 0.03897 0.17935 -0.61094 33 6PY 1.17552 -0.55383 -0.13404 0.00521 -0.12845 34 6PZ 1.19806 0.45850 0.05946 0.03739 -0.11421 35 7D 0 0.06658 0.12278 -0.05672 -0.05194 -0.02901 36 7D+1 0.03792 -0.05614 0.02807 -0.15674 -0.09604 37 7D-1 -0.03769 0.09605 0.10196 -0.00847 -0.01301 38 7D+2 0.08119 -0.01432 0.06221 -0.00216 0.00701 39 7D-2 0.04258 -0.01411 -0.00623 0.08088 0.03559 40 8D 0 -0.10645 -0.19140 0.12612 0.10083 0.04456 41 8D+1 -0.05398 0.08735 -0.05161 0.30111 0.14805 42 8D-1 0.05895 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0.17508 -0.17803 -0.05881 -0.07606 63 8D+1 0.06081 0.10099 0.17580 0.12509 0.08561 64 8D-1 -0.04142 -0.02706 -0.01483 0.04044 0.07270 65 8D+2 -0.04682 -0.22280 0.05844 0.15049 -0.04613 66 8D-2 -0.01230 0.06869 0.15826 0.07724 -0.08775 67 4 Cu 1S 0.03771 0.01278 0.06787 0.19290 0.00637 68 2S 0.06250 0.04907 0.11869 0.28320 -0.02314 69 3S -1.08986 0.39558 -0.96898 -5.36828 -1.04712 70 4PX 0.00435 0.00110 0.00111 0.01061 0.01344 71 4PY 0.00425 0.01198 0.00739 -0.00248 -0.00087 72 4PZ 0.00685 -0.00345 0.00677 0.02159 -0.00112 73 5PX -0.13275 -0.00111 -0.09661 -0.73668 -0.31076 74 5PY 0.02074 -0.39486 0.09609 0.06708 -0.07554 75 5PZ -0.20722 0.11033 -0.40384 -0.97554 -0.16145 76 6PX -0.06239 -0.07924 0.03976 -0.43334 0.03788 77 6PY -0.90056 -0.35768 -0.01863 -0.32730 0.20592 78 6PZ -0.18059 0.05348 -0.37652 -0.74355 -0.20174 79 7D 0 -0.01870 -0.05949 0.14310 -0.04956 -0.09614 80 7D+1 0.02181 0.13550 -0.01699 -0.02191 -0.03646 81 7D-1 0.01601 0.10038 0.04576 0.03245 0.04782 82 7D+2 0.00143 0.05751 -0.14102 0.09227 -0.04788 83 7D-2 0.00235 0.10763 0.03212 0.00199 0.01743 84 8D 0 0.02534 0.07316 -0.22300 0.07194 0.13631 85 8D+1 -0.03474 -0.19655 0.01422 0.00981 0.05677 86 8D-1 -0.02304 -0.14810 -0.06054 -0.02177 -0.06715 87 8D+2 0.00856 -0.07032 0.19511 -0.17862 0.05426 88 8D-2 0.00207 -0.15107 -0.04071 -0.03850 -0.03097 89 5 Cu 1S 0.01824 0.08396 -0.02380 0.11739 0.03935 90 2S 0.03823 0.13613 -0.01925 0.20398 0.09765 91 3S -0.49733 -1.79274 0.71611 -3.31086 -0.67166 92 4PX -0.00234 -0.00384 0.00139 -0.00342 -0.00582 93 4PY -0.00447 -0.00149 -0.00080 -0.00071 0.01221 94 4PZ -0.00247 -0.00422 -0.00001 -0.00472 0.00243 95 5PX 0.07329 0.42921 -0.11799 0.50907 0.06386 96 5PY 0.12540 -0.16634 -0.12350 -0.23615 0.06341 97 5PZ 0.04435 0.22175 -0.23236 0.55710 0.10914 98 6PX 0.12100 0.29848 -0.01379 0.46647 0.13581 99 6PY -0.13987 0.42943 -0.06717 -0.25050 -0.38402 100 6PZ 0.17274 0.03347 0.12232 0.40635 0.04095 101 7D 0 -0.04485 -0.05889 -0.05515 0.16423 0.01316 102 7D+1 0.01560 -0.09462 0.12623 0.11508 0.09242 103 7D-1 -0.00585 0.01970 0.00106 0.01196 -0.03459 104 7D+2 0.01830 0.03885 -0.01998 -0.05843 0.07538 105 7D-2 0.03075 0.09388 -0.05922 -0.03877 -0.12174 106 8D 0 0.06518 0.08352 0.09101 -0.24752 -0.03141 107 8D+1 -0.02175 0.12307 -0.17785 -0.21647 -0.15243 108 8D-1 0.00984 -0.01114 -0.00112 -0.01369 0.03734 109 8D+2 -0.02558 -0.08761 0.03664 0.06084 -0.10270 110 8D-2 -0.04208 -0.11444 0.10789 0.08558 0.16787 111 6 Cu 1S 0.00758 -0.02283 0.04322 0.00735 -0.00076 112 2S 0.03351 0.00993 0.06104 0.00975 -0.00011 113 3S 0.72150 1.19950 -0.99011 -0.17988 0.00617 114 4PX 0.00024 -0.00024 0.00575 -0.00460 -0.00114 115 4PY 0.00299 0.00259 -0.01438 -0.00254 -0.00008 116 4PZ -0.00608 -0.00229 -0.00766 -0.00076 0.00016 117 5PX -0.03296 0.06096 -0.02619 -0.31922 -0.13204 118 5PY -0.12810 -0.39259 0.33492 -0.01199 -0.03063 119 5PZ 0.14188 0.12604 -0.27693 -0.09290 -0.02488 120 6PX 0.31344 0.03681 -0.05370 -0.61624 0.07373 121 6PY -0.64584 0.05815 0.22752 -0.02558 0.02535 122 6PZ -0.75909 -0.22583 0.19618 -0.05005 0.00878 123 7D 0 0.03110 -0.04484 -0.12554 0.02329 -0.01045 124 7D+1 0.02828 -0.00968 0.02334 0.11583 -0.03064 125 7D-1 -0.07363 -0.08909 0.04715 -0.00950 0.01085 126 7D+2 -0.06055 -0.22363 0.01066 0.04847 -0.03943 127 7D-2 0.00821 -0.06296 0.00568 -0.17759 0.10139 128 8D 0 -0.04293 0.06686 0.15218 -0.04067 0.01950 129 8D+1 -0.04250 0.01385 -0.02559 -0.18632 0.05507 130 8D-1 0.10460 0.11008 -0.02915 0.02059 -0.01174 131 8D+2 0.07927 0.30418 -0.00232 -0.08097 0.05144 132 8D-2 -0.00905 0.08669 -0.01002 0.29953 -0.13624 133 7 Cu 1S 0.02855 0.09373 -0.01235 -0.10539 -0.03771 134 2S 0.05254 0.15315 -0.00064 -0.18231 -0.09456 135 3S -0.89345 -2.03802 0.31644 3.13070 0.67329 136 4PX 0.00394 0.00504 -0.00015 -0.00373 -0.00047 137 4PY -0.00228 0.00122 -0.00215 0.00002 -0.01436 138 4PZ -0.00058 -0.00208 -0.00143 0.00240 -0.00341 139 5PX -0.20097 -0.44530 0.15227 0.51339 0.12786 140 5PY 0.08949 -0.34062 -0.10451 0.38672 -0.03948 141 5PZ 0.01091 0.09062 -0.13693 -0.36407 -0.07522 142 6PX -0.01718 -0.41864 -0.02261 0.40498 -0.00055 143 6PY -0.38298 0.23712 -0.14753 0.39273 0.42985 144 6PZ -0.01463 -0.09494 0.09927 -0.24477 -0.02362 145 7D 0 0.00678 0.01133 -0.10047 -0.07941 0.03485 146 7D+1 0.02987 0.11959 -0.09886 0.19744 0.06597 147 7D-1 0.02679 0.02233 -0.00994 0.03447 0.01940 148 7D+2 0.01209 0.04122 -0.01898 0.01300 -0.00296 149 7D-2 -0.00155 -0.07115 0.05117 -0.00864 -0.16433 150 8D 0 -0.00601 -0.01187 0.15506 0.10085 -0.05358 151 8D+1 -0.03847 -0.16980 0.14241 -0.32354 -0.11982 152 8D-1 -0.04193 -0.02422 0.00487 -0.05612 -0.02737 153 8D+2 -0.02234 -0.07229 0.04694 -0.00624 0.01494 154 8D-2 0.00422 0.05943 -0.08914 0.05355 0.22672 155 8 Cu 1S 0.01644 0.02994 0.04700 0.00942 -0.00090 156 2S 0.03098 0.05788 0.07795 0.01777 -0.00172 157 3S -1.57544 -0.02103 -0.95303 -0.04514 0.05109 158 4PX -0.00008 0.00064 -0.00061 0.00034 0.00089 159 4PY -0.00216 -0.00669 0.00161 0.00026 -0.00038 160 4PZ -0.00195 0.00481 0.00429 0.00173 0.00026 161 5PX -0.05525 0.01754 -0.02718 -0.01924 0.00851 162 5PY 0.17360 -0.05896 0.10247 0.00425 -0.00715 163 5PZ 0.15362 0.01326 0.03108 -0.01850 -0.00066 164 6PX 0.01819 -0.04271 -0.01512 0.00889 0.01448 165 6PY 0.40200 0.23477 0.04249 -0.03096 0.00623 166 6PZ -0.39226 0.09237 0.08534 0.02960 0.01354 167 7D 0 -0.03858 -0.02151 -0.04755 -0.02559 0.00240 168 7D+1 -0.02542 -0.01940 0.06308 -0.04239 0.00293 169 7D-1 0.03785 -0.00543 -0.14219 -0.04592 0.02790 170 7D+2 -0.01582 -0.06362 -0.06459 0.04342 -0.04950 171 7D-2 -0.01215 -0.03528 0.01907 -0.06354 0.08338 172 8D 0 0.04929 0.00832 0.06447 0.03684 -0.00611 173 8D+1 0.04063 0.03511 -0.08488 0.06482 -0.00515 174 8D-1 -0.05886 0.00647 0.19545 0.06837 -0.04287 175 8D+2 0.02622 0.08407 0.10914 -0.06546 0.07551 176 8D-2 0.01990 0.04650 -0.01947 0.10196 -0.13223 177 9 C 1S 0.05379 -0.01956 0.00581 0.00003 0.00084 178 2S 0.34201 0.02494 -0.14266 -0.01157 -0.01371 179 3S -0.24488 -0.23641 -0.03107 0.00304 0.00177 180 4PX -0.10925 0.02458 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0.00775 -0.00256 5 4PY 0.00520 -0.00722 0.01114 0.00200 0.00556 6 4PZ 0.01005 -0.00546 0.01044 -0.00030 -0.00047 7 5PX 0.14205 0.31779 0.14700 0.03302 0.04589 8 5PY 0.33364 0.06857 0.06416 -0.05926 -0.33107 9 5PZ -0.70591 0.24734 -0.37548 0.04954 0.01155 10 6PX 0.60811 0.57452 -0.55042 0.01159 0.13671 11 6PY -1.60833 0.10225 1.43960 -0.27929 -0.23155 12 6PZ -0.38576 0.04456 0.43351 -0.08600 -0.28907 13 7D 0 -0.03120 0.02749 0.04160 -0.01827 -0.02641 14 7D+1 0.00311 0.11518 0.01071 -0.03581 0.00488 15 7D-1 0.03143 0.05568 -0.10717 -0.00807 0.00665 16 7D+2 -0.12153 0.02041 -0.10527 0.02008 -0.05755 17 7D-2 -0.04493 0.02621 -0.00656 -0.06550 -0.00679 18 8D 0 0.05729 -0.05484 -0.04451 0.02784 0.02584 19 8D+1 -0.01441 -0.19570 -0.03937 0.06921 -0.01312 20 8D-1 -0.06835 -0.09278 0.18912 0.01179 0.01398 21 8D+2 0.16574 -0.01842 0.14537 -0.02591 0.07787 22 8D-2 0.06025 -0.03231 -0.00560 0.08296 0.00572 23 2 Cu 1S -0.01002 0.01118 -0.02245 0.00069 -0.00292 24 2S -0.02623 0.00636 0.04730 -0.02292 -0.09743 25 3S 2.20776 -0.53245 0.99146 -0.07342 -0.56049 26 4PX 0.01289 0.00278 -0.00595 0.00441 0.00218 27 4PY -0.05432 0.00229 0.02325 -0.00296 0.00445 28 4PZ -0.01390 -0.00082 0.02059 -0.00597 -0.01954 29 5PX -0.01461 0.26834 0.09655 0.32360 0.02110 30 5PY 0.59956 -0.00806 0.32362 -0.12365 -0.93433 31 5PZ -0.25478 0.12513 -0.22885 0.18563 0.50571 32 6PX 0.12900 -0.05760 0.04500 -0.11964 0.05703 33 6PY 0.02663 0.03427 -0.08799 -0.01890 -0.04973 34 6PZ -0.95044 0.08823 0.26456 -0.08894 -0.04031 35 7D 0 -0.11278 0.03066 -0.11452 0.05848 0.08376 36 7D+1 0.00924 -0.05863 0.05948 0.09082 -0.06238 37 7D-1 0.05702 -0.01667 0.05955 0.05725 0.15408 38 7D+2 -0.02970 -0.04670 0.10922 -0.04308 0.07637 39 7D-2 -0.00667 0.06682 0.06134 0.05704 -0.01710 40 8D 0 0.18182 -0.04664 0.18171 -0.09948 -0.18112 41 8D+1 -0.03109 0.09410 -0.09000 -0.13352 0.10715 42 8D-1 -0.05410 0.02600 -0.12286 -0.08381 -0.25059 43 8D+2 0.00580 0.07984 -0.18327 0.05968 -0.14703 44 8D-2 -0.01020 -0.09148 -0.09231 -0.09100 0.01815 45 3 Cu 1S 0.09204 0.06475 0.07534 -0.05081 -0.01804 46 2S 0.13416 0.09737 0.05041 -0.06471 -0.03680 47 3S -2.40541 -2.08174 -3.09742 1.70389 0.44643 48 4PX -0.01117 -0.00674 -0.02177 0.00590 0.00924 49 4PY -0.00012 0.00910 0.00362 0.00478 0.00397 50 4PZ 0.01407 0.00368 0.00800 -0.00331 0.00009 51 5PX 0.47808 0.58356 0.75107 -0.45270 -0.02783 52 5PY 0.18223 -0.10118 -0.29527 0.08957 -0.25232 53 5PZ -0.54624 -0.01189 -0.55000 0.08280 0.12859 54 6PX 0.08528 0.37697 0.49521 0.01799 -0.06272 55 6PY 0.77686 0.10826 -0.26553 -0.18493 0.15434 56 6PZ -0.34252 -0.00999 -0.34579 0.50438 -0.05869 57 7D 0 0.14265 -0.05100 -0.02467 -0.09456 0.08513 58 7D+1 0.05915 0.05053 -0.05222 -0.07237 0.07162 59 7D-1 -0.10886 -0.09889 0.02524 0.08728 0.09439 60 7D+2 0.06690 0.01503 -0.13739 -0.03446 -0.01252 61 7D-2 0.02026 0.07042 -0.00463 -0.09671 -0.11248 62 8D 0 -0.21553 0.09657 0.05470 0.12314 -0.13311 63 8D+1 -0.06044 -0.08744 0.10419 0.11433 -0.11983 64 8D-1 0.17934 0.15574 -0.03709 -0.13231 -0.17330 65 8D+2 -0.10794 -0.06012 0.21796 0.07405 0.00066 66 8D-2 -0.02141 -0.10451 0.03438 0.13487 0.18228 67 4 Cu 1S 0.06391 -0.11119 0.04026 0.03120 -0.04422 68 2S 0.09614 -0.14423 0.00951 0.04319 -0.07800 69 3S -1.39013 3.63139 -1.84051 -0.94699 1.12367 70 4PX 0.00340 -0.01088 0.01130 -0.00075 -0.01057 71 4PY -0.00064 -0.01393 0.00399 -0.00422 0.00223 72 4PZ 0.01381 -0.01225 0.00925 0.00197 -0.00458 73 5PX -0.09970 0.63060 -0.07686 -0.25907 0.20705 74 5PY 0.19306 0.50936 -0.33400 -0.20768 -0.14894 75 5PZ -0.54505 0.60836 -0.55001 -0.02977 0.20819 76 6PX -0.13174 0.44521 0.14213 0.13518 -0.02423 77 6PY 0.70583 -0.02845 -0.37684 0.38867 0.02033 78 6PZ -0.27251 0.41235 -0.42147 -0.37025 0.17231 79 7D 0 0.10987 0.03193 0.01537 0.06480 -0.00962 80 7D+1 -0.07215 -0.02350 -0.01504 -0.10797 -0.11670 81 7D-1 -0.06769 0.12932 0.06199 -0.10048 0.14032 82 7D+2 0.05171 -0.02838 -0.12494 0.10437 -0.08070 83 7D-2 0.07407 0.01158 -0.09568 0.03020 0.04473 84 8D 0 -0.18884 -0.05952 -0.02869 -0.07971 0.01163 85 8D+1 0.09240 0.06147 0.01414 0.15954 0.19685 86 8D-1 0.10721 -0.18752 -0.10910 0.13670 -0.23972 87 8D+2 -0.06236 0.04706 0.23112 -0.17744 0.11583 88 8D-2 -0.11043 0.01719 0.14871 -0.06902 -0.06904 89 5 Cu 1S 0.02537 -0.02636 -0.00282 0.05833 0.02667 90 2S 0.07991 -0.06383 -0.00831 0.12182 0.06270 91 3S -0.49701 0.13937 0.51511 -1.11538 -0.55097 92 4PX -0.00032 -0.00273 -0.00058 -0.00780 -0.00401 93 4PY 0.00061 -0.00094 -0.00581 -0.00062 -0.00337 94 4PZ 0.00058 -0.00257 -0.00307 0.00233 -0.00019 95 5PX 0.12718 0.07719 0.05020 0.14844 0.11508 96 5PY 0.13170 0.04821 0.01972 -0.00088 0.00022 97 5PZ -0.16699 0.02260 -0.11362 0.12989 -0.04193 98 6PX 0.22947 -0.18336 -0.04571 0.10922 0.13065 99 6PY 0.01086 -0.06784 0.11247 -0.06300 -0.08166 100 6PZ 0.10713 -0.17067 -0.01285 0.19345 0.12797 101 7D 0 0.10756 0.03353 0.04990 -0.07975 0.01591 102 7D+1 0.07309 -0.08627 0.00789 0.00371 0.05652 103 7D-1 -0.06673 0.03766 0.19150 0.02005 -0.12048 104 7D+2 0.10149 0.06908 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7D+1 -0.00814 0.21114 0.15333 0.04950 0.02124 125 7D-1 -0.08922 0.13931 -0.20426 -0.02912 -0.02181 126 7D+2 -0.02527 -0.08365 0.04350 0.06822 -0.10998 127 7D-2 0.03447 0.03953 0.06559 -0.26002 0.02713 128 8D 0 -0.29841 -0.13403 0.08959 -0.00771 0.20293 129 8D+1 0.01498 -0.34413 -0.26248 -0.08539 -0.01744 130 8D-1 0.15127 -0.22990 0.33796 0.04356 0.02972 131 8D+2 0.05784 0.15072 -0.11257 -0.10683 0.17764 132 8D-2 -0.05189 -0.07735 -0.12887 0.42956 -0.04326 133 7 Cu 1S 0.03037 0.01540 -0.00445 -0.04277 0.05042 134 2S 0.09303 0.03809 -0.00723 -0.08905 0.11130 135 3S -0.42549 -0.03804 0.51003 0.61830 -0.93642 136 4PX -0.00150 -0.00578 0.00016 -0.00368 0.00656 137 4PY 0.00082 0.00243 -0.00496 -0.00090 -0.00174 138 4PZ 0.00135 0.00234 -0.00154 -0.00435 0.00323 139 5PX -0.05300 0.14563 0.07175 0.08708 -0.14296 140 5PY 0.09744 -0.02363 0.01200 0.03661 -0.05798 141 5PZ -0.19001 0.10196 -0.10905 -0.06804 -0.04353 142 6PX -0.31448 -0.10913 -0.01442 0.04766 -0.17562 143 6PY -0.04625 -0.05442 0.03460 0.03239 -0.17285 144 6PZ 0.08470 0.10325 -0.09105 -0.11299 0.14675 145 7D 0 0.03038 -0.11468 -0.02239 0.04501 -0.02536 146 7D+1 -0.06003 -0.00960 -0.08968 -0.09999 0.04011 147 7D-1 -0.08497 -0.10874 0.11718 -0.09835 -0.10343 148 7D+2 0.06833 -0.12604 0.04816 -0.22233 0.11492 149 7D-2 0.10168 0.02083 -0.08398 -0.00075 0.04543 150 8D 0 -0.02447 0.18334 0.03088 -0.05645 0.04083 151 8D+1 0.08241 0.02723 0.14464 0.15432 -0.07696 152 8D-1 0.11466 0.19338 -0.19523 0.14937 0.17747 153 8D+2 -0.11142 0.20560 -0.06675 0.36489 -0.18196 154 8D-2 -0.15878 -0.02811 0.11991 0.00829 -0.08229 155 8 Cu 1S -0.01019 -0.01462 0.10105 -0.00636 0.00773 156 2S 0.01509 -0.02987 0.17706 -0.01045 -0.00030 157 3S 0.53314 0.58530 -3.15138 0.32434 -0.08035 158 4PX 0.00119 -0.00324 0.00216 0.00146 -0.00028 159 4PY -0.00033 0.00218 -0.00749 -0.00044 -0.00781 160 4PZ -0.00676 0.00113 -0.00155 0.00227 0.00812 161 5PX 0.03945 0.01255 -0.20285 0.01946 -0.00377 162 5PY -0.04488 -0.07207 0.35567 -0.04203 0.02866 163 5PZ -0.16003 -0.09749 0.52416 -0.06116 0.00172 164 6PX -0.10628 -0.19816 -0.15794 0.03805 -0.01103 165 6PY 0.04149 -0.19553 0.60145 -0.06935 -0.08775 166 6PZ 0.24363 -0.07115 -0.05691 0.03078 0.08387 167 7D 0 -0.04803 -0.09621 -0.13392 0.01352 -0.11756 168 7D+1 -0.09722 -0.27727 -0.04466 0.05273 0.05702 169 7D-1 0.14941 -0.14535 0.09869 -0.04100 -0.14965 170 7D+2 -0.07474 0.11941 0.03138 -0.02199 -0.08547 171 7D-2 -0.11863 -0.01809 -0.06570 -0.03930 -0.01647 172 8D 0 0.09878 0.16550 0.17087 -0.02527 0.16597 173 8D+1 0.13652 0.44935 0.10367 -0.09156 -0.08431 174 8D-1 -0.21992 0.24032 -0.19587 0.07432 0.24969 175 8D+2 0.10110 -0.19292 -0.05017 0.03066 0.13575 176 8D-2 0.17569 0.03323 0.11970 0.06745 0.02328 177 9 C 1S -0.05221 0.00712 0.00994 -0.00484 -0.01073 178 2S 0.75396 -0.11026 -0.19247 0.09665 0.23123 179 3S -1.11510 0.17629 0.35474 -0.18807 -0.54781 180 4PX -0.01759 -0.02431 0.05020 0.00212 -0.02496 181 4PY 0.07315 0.05195 -0.22633 0.03664 0.07473 182 4PZ 0.01514 0.01405 -0.05804 0.01797 0.05762 183 5PX -0.02832 -0.09599 -0.14401 -0.32502 0.18744 184 5PY -0.16364 -0.08123 0.32891 -0.07662 0.12022 185 5PZ 0.20091 -0.02870 0.02985 -0.22571 -0.82799 186 10 O 1S 0.00563 -0.00078 -0.00177 0.00076 0.00178 187 2S -0.05193 0.00002 0.03390 -0.00814 -0.01966 188 3S 0.20070 -0.01907 -0.06551 0.02248 0.05148 189 4PX 0.02032 -0.09226 -0.02217 -0.17657 0.06718 190 4PY -0.22966 0.03318 -0.04717 -0.00396 0.16930 191 4PZ 0.01636 0.02662 -0.09880 -0.10317 -0.37786 192 5PX -0.00933 0.16058 0.09414 0.36097 -0.15499 193 5PY 0.33397 0.01190 -0.08589 0.02754 -0.29709 194 5PZ -0.09407 -0.01316 0.10160 0.22231 0.80994 156 157 158 159 160 V V V V V EIGENVALUES -- 0.81094 0.82424 0.85182 0.86129 0.86859 1 1 Cu 1S 0.03564 -0.14848 -0.05623 -0.03998 0.01314 2 2S 0.04036 -0.17929 -0.08835 -0.00508 -0.01670 3 3S -1.33825 4.84152 1.52722 4.29236 -0.65525 4 4PX -0.00629 -0.00202 -0.00304 -0.00262 0.00025 5 4PY -0.00242 -0.00423 0.01110 -0.00534 0.01440 6 4PZ -0.00577 0.01316 0.00360 0.02160 -0.01600 7 5PX -0.06441 0.11966 0.16083 0.20299 -0.07322 8 5PY 0.06684 -0.37122 -0.72531 -0.14693 -0.22450 9 5PZ 0.21261 -0.60156 -0.23423 -0.96557 0.60138 10 6PX 0.94660 -0.06733 0.58906 -0.07638 -0.25563 11 6PY 0.17461 0.30981 -0.84760 0.33292 0.03880 12 6PZ 0.42232 -0.79421 -1.32706 -1.14586 0.81718 13 7D 0 0.02963 -0.11863 -0.15735 -0.04386 -0.01438 14 7D+1 0.00399 0.05145 0.07551 0.05828 -0.00547 15 7D-1 0.05330 -0.06397 0.00938 -0.07524 0.04783 16 7D+2 -0.04470 -0.00989 0.11064 0.13671 0.00666 17 7D-2 0.10243 0.03328 0.04901 0.07489 -0.00692 18 8D 0 -0.04660 0.16534 0.24166 0.09369 0.00096 19 8D+1 -0.00876 -0.08404 -0.12537 -0.10868 0.01754 20 8D-1 -0.09354 0.16062 0.00289 0.12094 -0.06342 21 8D+2 0.06957 0.02201 -0.20265 -0.25109 0.01981 22 8D-2 -0.13561 -0.06062 -0.09035 -0.13511 0.01888 23 2 Cu 1S -0.00547 0.06289 0.00191 -0.07935 -0.07388 24 2S -0.00504 0.10133 -0.07502 -0.17541 -0.04691 25 3S 0.15155 -1.30325 -1.17877 1.61845 5.07236 26 4PX 0.00415 -0.00295 0.00065 0.00299 0.00658 27 4PY -0.00285 0.02135 -0.00779 -0.01139 -0.03964 28 4PZ -0.00038 0.00041 0.00621 -0.00459 0.00262 29 5PX 0.20335 0.01591 0.25847 0.44229 0.00668 30 5PY 0.13516 0.00892 -0.82795 -1.51550 0.38876 31 5PZ 0.12634 -0.02676 -0.59177 -0.76803 -0.40300 32 6PX -0.28231 0.05385 0.01609 0.19447 -0.10933 33 6PY 0.02291 -0.29343 0.00169 0.33851 0.67221 34 6PZ -0.04540 0.40323 -0.26917 -0.81366 0.07147 35 7D 0 0.03522 0.01948 0.06672 -0.01494 0.11622 36 7D+1 0.08728 -0.00937 -0.02445 0.04234 -0.01622 37 7D-1 0.01038 0.05796 -0.01967 -0.00018 -0.15411 38 7D+2 -0.04278 -0.06434 -0.03476 0.16417 -0.05395 39 7D-2 0.05431 -0.02823 -0.00423 0.06885 0.00879 40 8D 0 -0.06420 -0.01605 -0.11023 -0.00319 -0.27300 41 8D+1 -0.16013 0.03527 0.03822 -0.09761 0.01874 42 8D-1 -0.00492 -0.19218 0.02883 0.07265 0.34930 43 8D+2 0.07253 0.15561 0.03479 -0.38668 0.01646 44 8D-2 -0.09527 0.08237 -0.00222 -0.17005 -0.05885 45 3 Cu 1S -0.00597 0.08602 -0.00045 0.03827 0.02978 46 2S -0.00164 0.11056 -0.01255 0.03067 0.04480 47 3S -0.11341 -2.13202 -0.68583 -1.33354 -1.05421 48 4PX 0.00148 -0.00455 -0.00923 -0.00923 -0.00185 49 4PY -0.00787 -0.00154 0.00512 -0.01165 -0.00995 50 4PZ 0.00069 0.01464 -0.00238 0.00015 0.00208 51 5PX 0.08452 0.38702 0.11516 0.02334 0.18474 52 5PY 0.19823 -0.25639 -0.16758 0.29339 0.31670 53 5PZ 0.16196 -0.65786 -0.14154 -0.45087 0.14592 54 6PX -0.14445 0.46771 0.10171 0.22040 0.07202 55 6PY -0.05202 -0.36955 0.19623 0.54569 -0.01023 56 6PZ -0.13655 -0.36147 -0.17747 -0.01545 -0.02507 57 7D 0 0.04975 -0.03187 -0.07778 -0.05013 -0.04739 58 7D+1 0.06767 -0.02226 0.07172 -0.01437 -0.08950 59 7D-1 -0.09055 -0.01303 -0.07197 0.08263 -0.05127 60 7D+2 0.05506 -0.06689 0.03079 0.07644 -0.14730 61 7D-2 0.03121 -0.07168 -0.06751 0.03748 -0.02140 62 8D 0 -0.05989 0.03936 0.12275 0.04609 0.12392 63 8D+1 -0.11808 0.06615 -0.12030 0.03156 0.14923 64 8D-1 0.14974 0.02797 0.13176 -0.14498 0.08793 65 8D+2 -0.10342 0.09745 -0.05036 -0.12653 0.26741 66 8D-2 -0.06494 0.13991 0.13031 -0.05704 0.03015 67 4 Cu 1S -0.03748 0.08996 0.01068 0.03580 0.01252 68 2S -0.04396 0.11619 0.00641 0.02864 0.01469 69 3S 1.44752 -2.21619 -0.80083 -1.29179 -0.78008 70 4PX -0.00320 -0.00020 0.00641 0.01246 0.00455 71 4PY 0.00701 0.00276 0.00711 -0.00624 -0.00832 72 4PZ -0.00977 0.01477 0.00175 0.00289 0.00199 73 5PX 0.22755 -0.01422 0.00750 0.05210 -0.29133 74 5PY 0.02705 -0.39331 -0.16383 0.28420 0.22193 75 5PZ 0.32720 -0.74404 -0.19641 -0.43072 0.09542 76 6PX -0.08578 -0.17535 -0.17027 -0.26138 0.02582 77 6PY 0.08600 -0.49938 0.11003 0.39658 -0.04051 78 6PZ 0.33972 -0.44818 -0.16708 -0.15072 -0.03517 79 7D 0 -0.01450 -0.02813 -0.09288 -0.03132 -0.00170 80 7D+1 0.03891 0.01981 0.01908 0.03674 0.05164 81 7D-1 0.09293 0.03320 -0.04898 0.08597 -0.02385 82 7D+2 -0.01589 -0.11212 -0.01481 0.08005 -0.16429 83 7D-2 -0.04695 -0.01481 0.10077 -0.00542 -0.08466 84 8D 0 0.01730 0.01533 0.14895 0.01755 0.03933 85 8D+1 -0.04457 -0.04247 -0.02818 -0.03913 -0.10387 86 8D-1 -0.14673 -0.06569 0.08944 -0.14814 0.04124 87 8D+2 0.03369 0.20149 0.03582 -0.13084 0.29350 88 8D-2 0.08622 0.00256 -0.18486 0.00732 0.16312 89 5 Cu 1S -0.00184 0.03070 -0.00315 -0.05795 0.00196 90 2S 0.00326 0.07842 0.01607 -0.10982 -0.05056 91 3S -0.14932 0.00728 0.26047 0.13572 -1.61979 92 4PX 0.00284 -0.00417 -0.00150 -0.01034 -0.00942 93 4PY -0.00101 0.00600 0.00056 -0.01209 -0.00160 94 4PZ -0.00471 0.00348 0.00643 0.00567 -0.00868 95 5PX -0.01635 0.17699 -0.08999 -0.03481 0.39505 96 5PY 0.03790 -0.09780 -0.06415 0.05648 0.22351 97 5PZ 0.04281 -0.26152 -0.19501 -0.26266 0.31544 98 6PX 0.01381 0.03693 -0.07651 -0.03695 0.35168 99 6PY -0.15366 0.11818 -0.07031 -0.26154 0.11724 100 6PZ -0.19290 0.11708 0.16955 0.39561 0.01709 101 7D 0 0.06434 -0.05509 0.04823 -0.16349 0.02607 102 7D+1 0.05606 0.02885 -0.05628 0.08643 -0.09543 103 7D-1 -0.13804 0.03898 0.05992 0.08757 -0.00601 104 7D+2 -0.01490 0.09320 0.14891 -0.07183 0.07825 105 7D-2 0.18921 -0.12250 -0.14692 -0.05736 0.02246 106 8D 0 -0.09193 0.10631 -0.09622 0.28712 -0.05475 107 8D+1 -0.08780 -0.04853 0.11426 -0.13692 0.15367 108 8D-1 0.23881 -0.07254 -0.11647 -0.14714 -0.00424 109 8D+2 0.01764 -0.17069 -0.25528 0.15986 -0.15071 110 8D-2 -0.31488 0.21464 0.25230 0.11710 -0.06086 111 6 Cu 1S 0.00797 -0.08158 0.07094 0.05601 -0.10556 112 2S -0.00194 -0.08438 0.15580 0.09107 -0.18022 113 3S -0.60421 2.97997 -0.27712 -2.11921 1.98610 114 4PX 0.00456 -0.00148 -0.00090 0.00246 0.00061 115 4PY -0.00103 0.01125 0.00929 -0.01469 0.00194 116 4PZ 0.00214 0.00027 -0.00290 -0.00011 -0.00519 117 5PX -0.07037 0.00410 0.15210 -0.08061 -0.00337 118 5PY 0.10681 -0.50144 -0.41907 0.61510 -0.28869 119 5PZ -0.03486 0.22385 -0.31724 -0.18647 0.32716 120 6PX 0.11269 0.00592 -0.21485 -0.05920 0.13553 121 6PY 0.06032 -0.19519 0.49872 0.13175 -0.63147 122 6PZ -0.04781 0.11018 0.31659 -0.04104 -0.02201 123 7D 0 -0.05227 0.11590 -0.17107 0.07610 -0.06587 124 7D+1 -0.08794 -0.09745 0.06004 -0.03734 0.03242 125 7D-1 0.01579 0.03533 0.00689 0.00004 0.06328 126 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9 5PZ -0.97254 -0.09548 -0.04971 -0.33876 0.03338 10 6PX 0.41251 -2.35738 -1.36785 -0.23172 1.46040 11 6PY -1.65852 -0.04037 -0.06644 -0.17237 0.00244 12 6PZ -1.02968 -0.34900 -0.19931 0.38940 0.19631 13 7D 0 0.16230 -0.02173 0.00678 -0.01910 -0.02176 14 7D+1 0.01785 -0.05759 0.01955 0.00257 -0.06160 15 7D-1 -0.22665 -0.02201 -0.00049 0.04408 -0.01669 16 7D+2 0.13153 0.03163 0.01878 -0.04233 0.01107 17 7D-2 0.09805 -0.03124 -0.05632 -0.02148 -0.01547 18 8D 0 -0.26744 0.03675 -0.00189 0.04285 0.03527 19 8D+1 -0.04041 0.09835 0.00419 0.00044 0.08530 20 8D-1 0.40088 0.04815 0.00610 -0.06056 0.02847 21 8D+2 -0.25713 -0.08469 -0.03794 0.11528 -0.00499 22 8D-2 -0.17867 0.10751 0.08113 0.05654 0.00778 23 2 Cu 1S -0.00463 -0.00230 -0.00329 -0.01813 0.00262 24 2S -0.13593 -0.00754 -0.00355 0.07780 0.01432 25 3S -3.42736 -0.00044 0.19220 2.53305 0.05752 26 4PX -0.00178 0.00454 0.03313 -0.00076 0.01300 27 4PY 0.02350 0.00179 0.00574 -0.00416 0.00455 28 4PZ -0.01059 0.00170 0.00531 -0.01140 -0.00279 29 5PX 0.43567 -0.82167 -1.29369 -0.14631 -0.12859 30 5PY -2.12414 -0.19926 -0.24580 0.83530 0.06262 31 5PZ -0.48344 -0.16255 -0.22772 0.26714 0.05347 32 6PX 0.12508 0.25666 0.00203 -0.01295 -0.35372 33 6PY -0.43128 0.03358 0.00556 0.20232 -0.05309 34 6PZ -0.07427 0.08211 0.01748 0.08891 -0.10159 35 7D 0 0.10906 0.03718 -0.06534 0.04487 -0.00150 36 7D+1 -0.00103 0.13235 -0.20678 0.00724 -0.05515 37 7D-1 -0.12869 -0.01520 -0.05546 -0.02067 -0.02477 38 7D+2 0.03408 0.05336 0.06747 -0.03960 0.01639 39 7D-2 0.03434 -0.17897 -0.05763 -0.00222 -0.04185 40 8D 0 -0.19128 -0.07775 0.12247 -0.11621 0.00557 41 8D+1 -0.00007 -0.27389 0.39668 -0.00351 0.12418 42 8D-1 0.21812 0.02085 0.10354 0.03158 0.04587 43 8D+2 -0.07233 -0.08401 -0.11931 0.08536 -0.04058 44 8D-2 -0.06546 0.29632 0.07178 0.00657 0.09667 45 3 Cu 1S -0.01219 0.00024 -0.11925 0.00671 0.03916 46 2S -0.00982 0.01630 -0.16338 -0.02759 0.03889 47 3S 0.19985 -0.11472 3.54247 -1.15553 -1.12931 48 4PX 0.00623 -0.00598 0.00848 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0.16463 0.00411 -0.02271 69 3S -0.00496 0.42749 -3.45149 -1.32491 0.43171 70 4PX -0.00783 -0.00159 -0.00005 0.00354 -0.00167 71 4PY 0.00007 -0.01391 0.00042 -0.00795 -0.00824 72 4PZ 0.00316 -0.00345 0.02276 0.00884 -0.00427 73 5PX 0.06884 -0.02316 -0.54091 -0.26476 0.21260 74 5PY -0.45389 0.06827 0.12175 -0.09152 0.19465 75 5PZ -0.05189 0.07550 -0.66107 -0.36775 0.06332 76 6PX 0.13808 -0.12250 -0.36895 -0.10304 -0.03266 77 6PY 0.36450 -0.12231 -0.36465 -0.05442 0.05357 78 6PZ -0.10401 0.36694 -0.27741 -0.21084 0.03872 79 7D 0 0.15283 -0.09599 -0.01503 -0.01142 -0.09232 80 7D+1 -0.01736 0.07486 0.10040 0.08041 0.01831 81 7D-1 -0.03672 0.01457 -0.00992 -0.03877 -0.09931 82 7D+2 -0.10185 0.01236 -0.00196 -0.15217 -0.13418 83 7D-2 -0.03105 -0.21859 0.10676 0.01357 0.11169 84 8D 0 -0.27124 0.16701 0.03300 0.02525 0.17213 85 8D+1 0.02708 -0.12690 -0.20524 -0.17623 -0.03463 86 8D-1 0.02356 -0.04321 0.04194 0.07533 0.20701 87 8D+2 0.15977 -0.01050 -0.01300 0.28999 0.26174 88 8D-2 0.03051 0.40229 -0.20629 -0.03235 -0.20901 89 5 Cu 1S -0.02574 -0.08256 0.00483 0.06531 -0.00337 90 2S -0.04558 -0.10398 0.01335 0.12241 -0.03849 91 3S 0.05348 3.01708 0.61831 -0.66740 -0.83350 92 4PX 0.00723 0.01451 0.00516 -0.00108 -0.00350 93 4PY 0.00109 0.00193 0.00142 0.00189 -0.00034 94 4PZ -0.00677 0.00677 0.00617 -0.00510 -0.00241 95 5PX -0.12078 -0.69710 -0.27224 0.19173 0.28362 96 5PY -0.29295 0.03458 -0.24572 0.23137 -0.12586 97 5PZ -0.07037 -0.42310 -0.00944 0.12945 0.05876 98 6PX 0.13714 -0.18076 0.19650 0.15533 0.08141 99 6PY 0.12232 0.46897 0.14217 0.12363 -0.22461 100 6PZ -0.03110 0.10764 0.21889 0.00806 -0.19687 101 7D 0 0.08227 0.20290 -0.03398 -0.13251 0.03901 102 7D+1 -0.03697 -0.08281 -0.07532 0.13531 -0.08485 103 7D-1 -0.10415 -0.01196 -0.27192 -0.12818 0.10595 104 7D+2 0.01545 0.10240 0.13198 -0.07997 0.04950 105 7D-2 -0.03235 -0.00353 0.04416 0.09626 -0.03648 106 8D 0 -0.13984 -0.37509 0.05310 0.26332 -0.07389 107 8D+1 0.07881 0.18782 0.12936 -0.27926 0.15658 108 8D-1 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-0.05997 0.08950 128 8D 0 -0.09313 0.01599 -0.01792 0.03482 -0.13229 129 8D+1 0.06387 0.03474 -0.08407 0.10342 -0.32992 130 8D-1 0.23845 0.03381 -0.02213 -0.20757 -0.12937 131 8D+2 0.30582 -0.04743 -0.00514 0.00953 0.14406 132 8D-2 0.08144 0.11700 0.05015 0.09662 -0.15660 133 7 Cu 1S -0.02254 0.07917 -0.00497 0.06057 -0.01007 134 2S -0.04340 0.10407 -0.01605 0.09813 0.00924 135 3S -0.06940 -2.72409 -0.59468 -0.92887 0.89657 136 4PX -0.00313 0.01441 0.00762 0.00381 -0.00561 137 4PY -0.00063 0.00158 0.00054 0.00300 0.00208 138 4PZ -0.00909 -0.00052 -0.00404 -0.00430 0.00124 139 5PX 0.18894 -0.64204 -0.32429 -0.36590 0.20220 140 5PY -0.24053 -0.25994 0.15655 0.03904 0.23304 141 5PZ -0.00447 0.17623 -0.09004 0.03681 -0.01211 142 6PX -0.12047 0.09587 0.28902 -0.16998 -0.07724 143 6PY 0.02405 -0.51233 -0.05646 0.01020 0.24192 144 6PZ -0.10909 -0.07537 -0.10380 -0.09493 0.12441 145 7D 0 0.09428 -0.22332 -0.07100 -0.14786 -0.12321 146 7D+1 0.00588 0.00833 -0.19148 0.02953 0.01083 147 7D-1 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0.38334 11 6PY -3.23113 -1.74455 0.03896 -0.21594 0.49234 12 6PZ -1.27189 0.84301 0.16394 -0.48563 1.17395 13 7D 0 0.02736 -0.05015 0.06908 -0.04492 0.10921 14 7D+1 -0.02677 -0.01756 0.17139 0.03039 -0.07553 15 7D-1 0.09156 -0.01349 0.03361 -0.01934 0.06099 16 7D+2 0.01083 -0.09219 -0.01756 -0.01078 -0.06438 17 7D-2 -0.01565 -0.03495 -0.01802 -0.16486 -0.07995 18 8D 0 -0.01262 0.09601 -0.13753 0.10890 -0.22933 19 8D+1 0.04348 0.06930 -0.31232 -0.07781 0.16546 20 8D-1 -0.13674 -0.04899 -0.06184 0.01741 -0.13538 21 8D+2 0.05796 0.28079 0.03471 0.00525 0.20446 22 8D-2 0.05006 0.11722 0.05639 0.25386 0.16470 23 2 Cu 1S 0.00717 0.00203 -0.00610 0.02138 -0.04746 24 2S -0.05200 0.17694 -0.00145 0.01006 -0.01381 25 3S -1.26032 2.95474 0.29715 -0.89493 2.87716 26 4PX 0.00730 0.00623 -0.00396 0.00692 0.00331 27 4PY -0.00645 -0.03953 -0.00282 0.00475 -0.01324 28 4PZ -0.01223 0.02363 0.00287 -0.00722 0.02017 29 5PX 0.14786 -0.35817 0.04680 0.00301 -0.12388 30 5PY -0.80483 1.60191 0.03948 -0.01856 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0.00789 -0.01106 71 4PY 0.00336 0.00238 0.00381 0.00424 0.00004 72 4PZ 0.01771 -0.00711 0.02044 -0.00464 0.00607 73 5PX -0.18576 -0.14763 -0.39207 0.21151 -0.06969 74 5PY -0.32562 0.48970 -0.09514 0.22069 0.02271 75 5PZ -0.74785 0.40885 -0.38878 0.08988 0.07914 76 6PX -0.15139 -0.11938 -0.33890 0.09444 -0.01867 77 6PY 0.10811 0.33241 -0.20279 0.57986 -0.18154 78 6PZ -0.12439 0.44465 -0.18031 -0.23944 0.12990 79 7D 0 0.08172 -0.10291 0.04193 0.04771 0.03572 80 7D+1 0.03298 -0.05042 0.25045 0.02979 -0.02599 81 7D-1 0.12537 0.01208 -0.04425 -0.04929 0.01514 82 7D+2 -0.04023 -0.04739 -0.01999 -0.02919 0.00991 83 7D-2 -0.01339 -0.15398 0.11463 -0.04248 -0.00398 84 8D 0 -0.18747 0.22830 -0.06811 -0.10480 -0.04651 85 8D+1 -0.07358 0.07874 -0.51945 -0.03066 0.03345 86 8D-1 -0.25048 -0.00513 0.10418 0.11157 -0.03452 87 8D+2 0.10037 0.07250 0.02333 0.05345 -0.00626 88 8D-2 0.00182 0.34356 -0.25607 0.06656 0.03134 89 5 Cu 1S -0.05942 0.11326 0.07321 -0.05529 0.11983 90 2S -0.12717 0.18067 0.17250 -0.12009 0.17835 91 3S -0.55758 -2.28256 -0.82382 -0.42817 -2.35288 92 4PX -0.00283 -0.00976 -0.00069 -0.01016 -0.00323 93 4PY -0.00638 -0.00201 -0.00958 0.01836 0.00297 94 4PZ 0.00469 -0.00964 -0.01347 0.00645 -0.02056 95 5PX 0.40612 0.52273 -0.03175 0.19963 0.59579 96 5PY -0.01882 0.17663 0.08832 -0.40957 0.03331 97 5PZ -0.22078 0.50472 0.28281 -0.13567 0.47787 98 6PX 0.00772 0.29101 0.24253 -0.06546 0.30913 99 6PY 0.34900 0.04999 0.03611 -0.37124 -0.06910 100 6PZ 0.01742 -0.04481 0.12392 -0.07395 -0.02902 101 7D 0 -0.05107 0.01983 0.12064 -0.07313 0.08274 102 7D+1 -0.14347 0.10807 0.15444 -0.00326 0.14103 103 7D-1 0.00533 0.04547 0.05375 -0.00043 0.14046 104 7D+2 0.14105 0.13118 0.04467 -0.04138 -0.02636 105 7D-2 0.02821 0.02720 -0.00513 -0.18746 -0.12481 106 8D 0 0.12093 -0.04950 -0.25886 0.15487 -0.16005 107 8D+1 0.29432 -0.26315 -0.31493 0.00566 -0.33656 108 8D-1 -0.00545 -0.09253 -0.09861 -0.00889 -0.31472 109 8D+2 -0.32047 -0.29701 -0.08510 0.10908 0.01808 110 8D-2 -0.03374 -0.06843 0.02212 0.39453 0.25860 111 6 Cu 1S -0.07607 0.11642 -0.00255 0.04493 -0.03042 112 2S -0.08954 0.20342 -0.00249 0.05392 -0.02735 113 3S 2.43964 -2.22874 0.09293 -1.51814 1.16656 114 4PX 0.00151 0.00495 -0.00542 -0.00523 -0.00401 115 4PY 0.01253 -0.02137 -0.00069 -0.01255 0.01192 116 4PZ -0.02232 -0.00295 -0.00150 0.00223 -0.00568 117 5PX 0.14726 0.05408 -0.19029 0.12483 0.08380 118 5PY -0.83935 0.13971 -0.03533 0.31413 -0.36018 119 5PZ 0.16448 -0.25952 0.05334 -0.38227 0.22537 120 6PX 0.00262 0.14055 -0.03490 -0.30031 0.26876 121 6PY -0.12534 0.19618 -0.13430 0.63077 -0.68715 122 6PZ 0.03854 -0.53447 -0.16482 0.49296 -0.50745 123 7D 0 0.09021 0.07661 0.01436 -0.02258 0.02702 124 7D+1 -0.03810 -0.10017 0.04699 -0.06955 -0.03667 125 7D-1 0.07549 0.06149 0.01368 -0.03310 0.02667 126 7D+2 0.11774 -0.20390 0.00147 -0.04894 0.08331 127 7D-2 0.03379 -0.08339 -0.02272 -0.05376 0.02398 128 8D 0 -0.19908 -0.20023 -0.02090 0.00891 -0.04457 129 8D+1 0.07335 0.23414 -0.10350 0.15619 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-0.05061 169 7D-1 0.03682 -0.13282 0.00579 -0.08570 0.02303 170 7D+2 0.22755 0.12631 -0.02241 0.08622 0.13230 171 7D-2 0.09562 0.06662 0.07412 -0.25332 -0.04022 172 8D 0 -0.13705 0.07362 -0.05956 0.34478 -0.08683 173 8D+1 -0.02369 -0.21835 0.01973 0.16048 0.10303 174 8D-1 -0.05531 0.32908 -0.01414 0.19307 -0.03286 175 8D+2 -0.51342 -0.29879 0.04959 -0.19094 -0.31073 176 8D-2 -0.22504 -0.16799 -0.15951 0.54934 0.07401 177 9 C 1S -0.01657 -0.00503 0.00038 -0.00265 -0.00120 178 2S 0.32146 0.13918 0.01729 -0.00504 0.22242 179 3S -0.79032 0.16184 -0.02394 0.00190 -0.22064 180 4PX -0.06063 0.00582 -0.01534 -0.00661 0.01784 181 4PY 0.24044 -0.00814 -0.00919 0.02252 -0.00670 182 4PZ 0.09835 -0.03096 -0.01332 0.03697 -0.08749 183 5PX 0.12593 -0.05934 -0.21137 0.30240 0.10693 184 5PY -0.12614 0.04073 -0.03011 -0.04040 0.18013 185 5PZ -0.18068 0.70317 -0.00154 0.03416 0.03484 186 10 O 1S -0.00147 -0.00372 -0.00061 0.00200 -0.00546 187 2S -0.03810 0.05202 0.00983 -0.02937 0.08958 188 3S 0.20601 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0.34662 13 7D 0 -0.02568 -0.03683 -0.03653 -0.11457 0.01080 14 7D+1 -0.01543 -0.13004 0.02847 0.01906 0.05303 15 7D-1 0.05341 0.01493 -0.18687 0.02061 0.08015 16 7D+2 -0.20500 -0.03570 -0.13600 0.01594 -0.09001 17 7D-2 -0.02627 0.13752 0.01995 0.03199 0.22368 18 8D 0 0.10236 0.07061 0.08393 0.35029 -0.02840 19 8D+1 0.01997 0.27791 -0.05155 -0.04619 -0.15503 20 8D-1 -0.11683 -0.02547 0.41894 -0.11834 -0.22212 21 8D+2 0.37945 0.05459 0.37487 0.00783 0.24358 22 8D-2 0.08823 -0.30708 -0.03046 -0.03904 -0.64656 23 2 Cu 1S -0.01394 -0.00927 -0.00845 0.09493 -0.00250 24 2S -0.06533 -0.05930 -0.04176 0.44867 -0.00172 25 3S 0.20985 -0.51820 -0.13092 3.04866 0.00648 26 4PX -0.00505 0.00480 0.00696 0.01221 0.00649 27 4PY 0.00113 0.00828 -0.00009 -0.04593 0.00316 28 4PZ -0.00395 0.00259 -0.00928 -0.01548 0.00157 29 5PX -0.03745 0.18856 0.17955 -0.67737 1.37600 30 5PY -0.16546 -0.40925 -0.54246 3.08926 0.29872 31 5PZ -0.25353 -0.05158 -0.26607 0.46546 0.24761 32 6PX 0.44926 -0.01796 -0.06870 0.08537 -0.16295 33 6PY 0.23914 -0.04071 -0.00489 0.27320 -0.00616 34 6PZ -0.55596 0.03651 -0.03243 -0.72136 -0.08875 35 7D 0 0.00472 -0.02414 -0.06662 0.16251 -0.00555 36 7D+1 -0.02037 0.02187 -0.00921 -0.04205 -0.02084 37 7D-1 0.03603 -0.01583 0.01705 0.09856 -0.04586 38 7D+2 -0.15097 -0.01904 -0.14293 0.10287 0.09828 39 7D-2 0.04582 0.01585 -0.07948 0.03388 -0.21726 40 8D 0 -0.01180 0.06338 0.16373 -0.39538 0.03431 41 8D+1 0.01577 -0.04401 0.03199 0.12187 0.10981 42 8D-1 -0.06241 0.05594 -0.06109 -0.30754 0.14484 43 8D+2 0.25747 0.02116 0.34798 -0.22825 -0.30134 44 8D-2 -0.15613 -0.03049 0.20420 -0.06171 0.62830 45 3 Cu 1S 0.03164 -0.01517 0.02053 -0.01835 -0.04101 46 2S 0.05097 -0.00126 -0.01742 -0.16966 -0.20756 47 3S -0.13979 0.40386 -1.30931 -1.51958 -1.56349 48 4PX -0.00171 0.00033 -0.00371 -0.02635 -0.00806 49 4PY 0.00542 -0.00080 -0.01965 -0.00372 -0.00324 50 4PZ -0.00027 0.00687 -0.00265 0.01933 0.02026 51 5PX -0.25829 -0.10224 0.45226 0.35463 1.01396 52 5PY 0.11095 -0.08694 -0.14176 0.64588 0.18594 53 5PZ -0.18103 0.03587 -0.14823 -0.74445 -0.03643 54 6PX -0.18239 0.06186 0.11608 -0.12194 0.39904 55 6PY 0.62111 -0.02308 -0.14133 0.76803 0.00075 56 6PZ -0.22245 0.11498 0.00440 -0.32185 0.25904 57 7D 0 0.06381 0.02329 -0.06229 0.03017 -0.07857 58 7D+1 -0.01679 -0.06190 0.03779 -0.07791 0.00225 59 7D-1 0.01190 0.15378 -0.10905 -0.16536 -0.04915 60 7D+2 -0.09447 -0.02151 0.03305 -0.00385 0.02561 61 7D-2 -0.03810 0.09685 -0.06597 0.08080 0.01858 62 8D 0 -0.15805 -0.04355 0.14777 -0.07852 0.23635 63 8D+1 0.02036 0.12001 -0.03881 0.18402 0.01790 64 8D-1 -0.02035 -0.34167 0.23298 0.43657 0.11004 65 8D+2 0.19394 0.05298 -0.07978 0.04267 -0.08873 66 8D-2 0.09003 -0.21065 0.18576 -0.19025 -0.06337 67 4 Cu 1S 0.02461 0.01448 0.01999 -0.01223 0.06188 68 2S -0.02303 0.04515 -0.00143 -0.17476 0.25586 69 3S -1.37519 0.33527 -0.97543 -1.87602 1.61677 70 4PX -0.00228 -0.00260 0.01140 0.01913 -0.00242 71 4PY 0.00708 0.00245 -0.01352 0.00696 0.00402 72 4PZ 0.01445 -0.01541 -0.00266 0.02896 -0.02208 73 5PX -0.15710 0.05343 -0.14065 -0.39348 1.03169 74 5PY -0.03266 0.03588 -0.22163 0.51274 0.37008 75 5PZ -0.44929 0.20223 -0.20962 -0.95323 0.35799 76 6PX -0.10733 0.11679 -0.04139 -0.10270 0.44869 77 6PY 0.39137 -0.02204 -0.11098 0.74679 0.29740 78 6PZ -0.13778 -0.02065 -0.04817 -0.33411 -0.18177 79 7D 0 0.03056 -0.05219 -0.05617 0.08487 0.07717 80 7D+1 -0.03565 -0.03604 0.03479 0.11243 -0.08450 81 7D-1 0.05340 -0.08021 -0.07699 -0.17124 0.02412 82 7D+2 -0.07752 -0.05670 -0.05375 -0.01184 -0.00603 83 7D-2 -0.01189 0.13183 0.10579 0.01977 -0.04048 84 8D 0 -0.07015 0.09998 0.10798 -0.21167 -0.21558 85 8D+1 0.07169 0.08132 -0.09388 -0.26783 0.26222 86 8D-1 -0.10776 0.16474 0.14284 0.44870 -0.02694 87 8D+2 0.14964 0.10540 0.15654 0.05182 0.02123 88 8D-2 0.01399 -0.29089 -0.25596 -0.03758 0.09709 89 5 Cu 1S -0.13188 0.00712 0.04706 -0.07341 0.12221 90 2S -0.22078 -0.00729 0.06279 -0.10551 0.13180 91 3S 2.63946 0.24040 -1.65771 1.08678 -3.07288 92 4PX 0.02618 0.00550 -0.00601 0.00377 -0.02046 93 4PY -0.00262 -0.01082 0.00436 0.00211 0.00122 94 4PZ 0.01477 0.00099 -0.00647 0.00854 -0.01620 95 5PX -0.82195 -0.11792 0.57215 -0.09264 0.98815 96 5PY 0.18998 0.07145 -0.10875 0.47543 0.08453 97 5PZ -0.38277 0.03229 0.14547 -0.25864 0.60821 98 6PX -0.24333 -0.05412 0.18160 -0.10027 0.11236 99 6PY 0.09762 -0.08241 0.19971 -0.05103 -0.49573 100 6PZ 0.08652 0.04775 0.04965 -0.16733 0.10480 101 7D 0 0.02919 0.08009 -0.07520 -0.04540 -0.02274 102 7D+1 -0.14794 -0.08068 0.08370 -0.02040 0.15430 103 7D-1 0.04098 0.06102 -0.03813 0.07296 0.02915 104 7D+2 -0.22526 0.04482 -0.01212 0.04533 0.12841 105 7D-2 -0.03157 0.03921 -0.05858 0.09512 0.02951 106 8D 0 -0.05499 -0.17863 0.19178 0.11621 0.08534 107 8D+1 0.33257 0.16894 -0.20567 0.04692 -0.41745 108 8D-1 -0.09439 -0.11962 0.07924 -0.18967 -0.09547 109 8D+2 0.50382 -0.10622 -0.01118 -0.10164 -0.34147 110 8D-2 0.07226 -0.06539 0.13962 -0.25043 -0.06114 111 6 Cu 1S 0.07048 0.00541 -0.05499 0.11465 0.01197 112 2S 0.10829 0.00684 -0.01231 0.13572 0.00012 113 3S -1.92974 -0.38051 1.95978 -1.80256 -0.41356 114 4PX 0.00724 -0.02739 -0.00035 -0.00484 -0.00507 115 4PY -0.01381 -0.00706 -0.00319 -0.00921 -0.00454 116 4PZ 0.00249 -0.00491 0.00095 0.00883 0.00051 117 5PX -0.01027 0.28440 0.12627 0.27767 0.21185 118 5PY 0.19096 0.24319 -0.66616 -0.08329 0.26123 119 5PZ -0.62559 0.11401 0.08863 -0.98828 0.01797 120 6PX -0.16278 -0.10593 0.08727 -0.25723 -0.09303 121 6PY 0.45417 0.02152 -0.31118 0.61917 0.09050 122 6PZ 0.35691 -0.05427 -0.12337 0.58982 0.07313 123 7D 0 0.08301 -0.14317 -0.02970 0.16439 0.00526 124 7D+1 0.00400 -0.30068 0.06044 -0.10331 0.02797 125 7D-1 0.00292 -0.03523 -0.19178 -0.04274 0.03940 126 7D+2 -0.11223 -0.00116 0.14479 0.02134 -0.08776 127 7D-2 -0.04945 0.10294 0.10645 0.02351 0.10857 128 8D 0 -0.24002 0.33058 0.05344 -0.46996 -0.01361 129 8D+1 0.02208 0.66558 -0.13249 0.28230 -0.08128 130 8D-1 -0.01021 0.09054 0.38139 0.07514 -0.09267 131 8D+2 0.24029 0.00092 -0.37496 -0.04179 0.22907 132 8D-2 0.11294 -0.21155 -0.24800 -0.03801 -0.27802 133 7 Cu 1S -0.06568 -0.01581 0.01682 -0.06800 -0.12694 134 2S -0.14765 -0.00580 0.02165 -0.09620 -0.11729 135 3S 0.13279 0.15072 -0.75434 0.92654 3.79027 136 4PX -0.01158 -0.00233 0.00001 -0.00607 -0.02838 137 4PY 0.00735 0.01079 0.00588 0.00515 -0.01419 138 4PZ 0.00487 0.00140 -0.00190 0.00605 0.01055 139 5PX 0.14048 0.18706 -0.26734 -0.04358 1.36878 140 5PY -0.16055 -0.16507 -0.12456 0.42174 0.43549 141 5PZ -0.16014 -0.02958 -0.06025 -0.27142 -0.29031 142 6PX 0.26733 0.01303 -0.27013 0.15564 0.09774 143 6PY -0.34958 -0.00911 0.25688 -0.02897 0.39365 144 6PZ -0.00914 0.00512 0.01344 -0.10630 -0.10471 145 7D 0 -0.00376 -0.08186 -0.09111 -0.05761 0.11830 146 7D+1 -0.02215 -0.01538 -0.01029 0.04207 0.07471 147 7D-1 0.11711 -0.07471 -0.04211 0.04280 0.01517 148 7D+2 -0.22175 -0.11681 -0.07171 0.06960 -0.17245 149 7D-2 -0.01105 0.02344 0.00458 -0.06392 -0.10662 150 8D 0 0.02944 0.17248 0.21671 0.14387 -0.33468 151 8D+1 0.05549 0.03131 0.01649 -0.10137 -0.19613 152 8D-1 -0.26678 0.15983 0.08720 -0.11366 -0.01785 153 8D+2 0.48117 0.26812 0.13791 -0.18444 0.45588 154 8D-2 0.03042 -0.02621 -0.02191 0.18842 0.29304 155 8 Cu 1S -0.09148 0.01877 -0.08485 -0.09197 0.03296 156 2S -0.15904 0.02456 -0.16621 -0.09982 0.05338 157 3S 0.61034 -0.57650 2.28238 2.16513 -0.49864 158 4PX -0.00809 0.01186 -0.00572 -0.00469 -0.01564 159 4PY -0.01127 -0.00234 0.01748 0.01602 -0.00652 160 4PZ 0.00050 -0.00029 0.01361 0.00970 -0.00511 161 5PX 0.27904 -0.17720 0.20448 0.19121 0.01734 162 5PY 0.23982 0.12927 -0.88509 -0.08665 0.17695 163 5PZ -0.30566 0.07216 -0.15038 -0.82557 0.07137 164 6PX 0.25082 0.07651 -0.04357 0.14415 -0.38910 165 6PY -0.35346 0.07208 -0.01794 -0.69129 -0.07247 166 6PZ 0.24773 0.03038 -0.02403 0.14062 -0.02113 167 7D 0 -0.09360 -0.07059 0.07687 -0.15403 0.01838 168 7D+1 0.10950 -0.19404 0.03042 0.06204 0.04747 169 7D-1 0.02697 -0.00147 -0.20965 -0.14669 0.05609 170 7D+2 -0.09218 0.01893 0.09499 -0.03464 -0.08828 171 7D-2 0.12338 0.01604 0.10750 0.02796 0.10668 172 8D 0 0.22087 0.15492 -0.22351 0.42631 -0.03741 173 8D+1 -0.26220 0.43680 -0.05782 -0.17910 -0.10359 174 8D-1 -0.03508 -0.00097 0.47430 0.35881 -0.13314 175 8D+2 0.18374 -0.03490 -0.25272 0.07958 0.20921 176 8D-2 -0.29549 -0.03685 -0.25947 -0.07165 -0.23334 177 9 C 1S -0.01015 0.00019 -0.01165 -0.00073 0.00089 178 2S 0.33713 0.05866 0.28106 -0.43107 -0.01387 179 3S -0.63372 -0.22003 -0.61103 1.52777 0.03707 180 4PX -0.02704 -0.00955 -0.05152 0.01723 0.03201 181 4PY 0.09860 -0.00326 0.18217 -0.04634 -0.01294 182 4PZ 0.05074 0.00662 0.09313 -0.05967 -0.00062 183 5PX -0.14722 0.01003 0.07955 -0.15254 0.14565 184 5PY -0.22724 -0.11453 -0.12511 0.63952 0.03538 185 5PZ -0.10958 -0.02940 0.03611 0.11693 0.00589 186 10 O 1S -0.00170 0.00011 -0.00213 0.00408 0.00004 187 2S 0.01908 0.00407 -0.01504 -0.06891 0.00523 188 3S 0.04041 -0.00875 0.15489 0.03932 -0.02006 189 4PX -0.04569 0.00107 0.00788 0.00146 0.07452 190 4PY -0.01113 -0.00816 0.02023 0.02996 0.01256 191 4PZ -0.02832 0.00710 0.02732 -0.06335 0.00592 192 5PX 0.12585 0.00341 -0.06113 0.01247 -0.20654 193 5PY 0.07985 0.02692 0.09726 -0.14377 -0.05260 194 5PZ 0.08051 -0.01840 -0.02418 0.15350 -0.02412 176 177 178 179 180 V V V V V EIGENVALUES -- 1.24102 1.27551 1.27935 1.28930 1.30862 1 1 Cu 1S 0.00189 -0.09052 0.02778 0.02125 -0.10972 2 2S 0.00575 -0.24240 0.07304 0.05444 -0.31516 3 3S 0.03066 -0.24819 0.00058 0.07515 -1.29461 4 4PX -0.00115 -0.00161 -0.01367 0.00787 0.01867 5 4PY -0.00032 0.00127 -0.00143 -0.01582 -0.01160 6 4PZ 0.00070 -0.03353 0.00942 -0.01118 -0.05306 7 5PX -0.18538 -0.06722 0.35881 -0.13169 -0.52658 8 5PY -0.09071 0.47631 -0.05213 -0.28625 -0.12407 9 5PZ -0.02893 0.56535 -0.21102 0.63910 1.56439 10 6PX -0.41234 -0.28742 0.13084 0.18745 0.14882 11 6PY -0.09334 1.14800 -0.35459 -1.27794 -0.49372 12 6PZ -0.07678 -0.05775 0.07677 -0.50104 -0.91011 13 7D 0 -0.04762 0.17123 0.01920 0.07264 0.27696 14 7D+1 -0.15968 0.04373 0.27058 0.03042 -0.12430 15 7D-1 -0.02794 0.18768 -0.01776 -0.12631 -0.01410 16 7D+2 0.01691 0.11351 -0.06111 -0.06197 -0.01120 17 7D-2 0.04190 -0.02954 -0.07478 0.00798 -0.01169 18 8D 0 0.12364 -0.44851 -0.05527 -0.22296 -0.79090 19 8D+1 0.42332 -0.12268 -0.74086 -0.08021 0.35398 20 8D-1 0.07590 -0.53495 0.05271 0.38436 0.05402 21 8D+2 -0.04442 -0.32458 0.16725 0.18803 0.04125 22 8D-2 -0.11111 0.08715 0.22056 -0.01910 0.03781 23 2 Cu 1S -0.00268 -0.02163 0.01884 -0.03671 -0.00138 24 2S -0.01173 -0.03830 0.05387 -0.15145 -0.03751 25 3S -0.07170 0.66698 0.06809 -1.66383 -0.23935 26 4PX -0.01269 -0.00716 -0.01423 -0.00621 -0.00914 27 4PY -0.00096 0.01288 -0.01597 0.03644 -0.01115 28 4PZ -0.00230 -0.01157 0.00638 -0.03014 0.02816 29 5PX -0.32180 0.13313 0.51244 0.02036 0.07491 30 5PY -0.12042 -0.11024 0.32517 -0.54286 0.22151 31 5PZ -0.04976 0.45420 -0.24609 1.17059 -0.51455 32 6PX 0.09469 -0.04776 -0.10873 0.17980 0.06297 33 6PY 0.00414 0.19823 -0.06296 -0.20056 -0.16698 34 6PZ 0.03204 -0.25555 0.11362 -0.28640 0.46586 35 7D 0 0.08280 0.01948 0.01003 0.00529 -0.03855 36 7D+1 0.26217 0.00899 0.04813 0.02734 -0.01364 37 7D-1 0.03168 -0.03861 0.04892 -0.26425 0.12197 38 7D+2 -0.02401 -0.08679 0.07665 -0.04815 0.15978 39 7D-2 -0.08314 -0.07049 -0.08525 0.02154 0.04981 40 8D 0 -0.22638 -0.06142 -0.02620 -0.00447 0.11476 41 8D+1 -0.71488 -0.03419 -0.13264 -0.05468 0.04868 42 8D-1 -0.09367 0.12540 -0.13980 0.71169 -0.33573 43 8D+2 0.08221 0.22144 -0.21258 0.18758 -0.46150 44 8D-2 0.18756 0.18371 0.23818 -0.03513 -0.15254 45 3 Cu 1S -0.03424 0.03807 -0.06379 -0.02605 0.03543 46 2S -0.04466 0.07486 -0.17765 -0.03712 0.10077 47 3S 0.87953 -0.03094 -0.86661 0.21127 0.75025 48 4PX 0.00913 0.01930 -0.01769 0.01129 0.00599 49 4PY -0.01869 0.00307 -0.00091 0.01123 0.00196 50 4PZ -0.00780 0.01661 0.02649 0.02078 -0.00615 51 5PX -0.38715 -0.50122 0.50054 -0.00644 -0.29779 52 5PY 0.15590 0.21170 0.08715 -1.14893 -0.20346 53 5PZ 0.11064 -0.25811 -0.56013 0.02037 0.63076 54 6PX -0.12855 0.37148 0.07035 0.13037 0.00836 55 6PY -0.16984 0.04289 0.01704 0.33409 0.06749 56 6PZ -0.01590 0.19757 0.28274 0.11571 -0.12292 57 7D 0 -0.10140 0.08617 0.00741 0.09469 -0.12568 58 7D+1 -0.00683 0.07627 -0.33187 -0.01866 0.10388 59 7D-1 -0.08662 -0.07034 0.00241 0.08426 -0.01531 60 7D+2 -0.21797 -0.09026 -0.07310 0.06225 -0.11518 61 7D-2 0.04589 -0.04317 0.00767 -0.18178 -0.05981 62 8D 0 0.24838 -0.24247 -0.01218 -0.22710 0.37673 63 8D+1 0.01877 -0.23308 0.89984 0.02620 -0.30464 64 8D-1 0.21310 0.19751 -0.00667 -0.23405 0.05562 65 8D+2 0.56761 0.21783 0.21356 -0.16340 0.34650 66 8D-2 -0.09818 0.09866 -0.01930 0.53438 0.19081 67 4 Cu 1S 0.03502 0.08607 0.01789 -0.00040 0.04156 68 2S 0.04979 0.20697 0.06581 0.02451 0.10013 69 3S -0.85100 0.49928 0.64101 0.21813 0.31570 70 4PX -0.00173 -0.02106 0.01668 -0.01293 0.00679 71 4PY 0.02017 -0.00322 -0.00120 -0.00330 -0.01906 72 4PZ 0.00907 -0.01831 -0.03124 0.00641 -0.00146 73 5PX -0.23888 0.49355 -0.21104 0.18897 -0.31548 74 5PY -0.34958 0.34268 0.10347 -0.87936 0.26886 75 5PZ -0.19409 0.44081 0.52766 0.24693 0.53665 76 6PX -0.17880 -0.17963 0.44459 -0.01018 0.20419 77 6PY 0.08567 0.03067 0.04666 0.04643 -0.42765 78 6PZ -0.03454 -0.15284 -0.19893 -0.06604 -0.10218 79 7D 0 0.08828 -0.12370 -0.17049 0.02613 -0.13780 80 7D+1 -0.03606 -0.22130 -0.05149 -0.08305 0.03259 81 7D-1 0.12809 -0.12932 -0.04274 0.09116 -0.09205 82 7D+2 0.15139 0.02609 0.15443 0.05193 0.01401 83 7D-2 0.15234 0.07481 0.02932 0.13185 -0.06978 84 8D 0 -0.21581 0.32423 0.44291 -0.03392 0.41678 85 8D+1 0.07944 0.60427 0.12896 0.23764 -0.08573 86 8D-1 -0.31890 0.36119 0.10658 -0.26234 0.25519 87 8D+2 -0.40261 -0.10586 -0.40551 -0.12854 -0.02058 88 8D-2 -0.38692 -0.21401 -0.07085 -0.38784 0.18329 89 5 Cu 1S 0.00487 0.04722 0.01125 0.02892 0.04387 90 2S 0.03330 0.12697 0.01052 0.01732 0.07474 91 3S 0.41236 0.46003 -0.37135 -0.71447 -0.14488 92 4PX 0.00689 0.00254 0.01601 -0.01154 -0.00329 93 4PY 0.01603 -0.01079 0.01125 -0.00262 0.01077 94 4PZ 0.00430 0.01050 -0.02268 -0.00015 0.00852 95 5PX -0.20877 -0.05120 -0.10715 0.39567 -0.00154 96 5PY -0.31719 0.36917 -0.02127 0.17293 -0.29894 97 5PZ -0.15589 -0.40722 0.30849 0.05772 -0.02479 98 6PX 0.00274 -0.21424 0.08858 0.00313 -0.02001 99 6PY 0.23236 -0.33299 0.03613 -0.02731 0.28460 100 6PZ 0.05369 0.23169 -0.15228 0.13137 0.15507 101 7D 0 0.02724 -0.10067 0.14351 -0.05643 -0.02945 102 7D+1 -0.08071 -0.04474 0.03247 0.03673 -0.03162 103 7D-1 -0.07251 0.08550 -0.08540 0.06348 -0.06387 104 7D+2 0.01373 -0.00770 -0.06870 0.06274 0.03060 105 7D-2 -0.11301 0.08781 0.00974 0.03903 -0.10455 106 8D 0 -0.06579 0.27891 -0.36775 0.15538 0.06459 107 8D+1 0.20850 0.11379 -0.09073 -0.10285 0.09417 108 8D-1 0.19601 -0.24695 0.20375 -0.17162 0.17592 109 8D+2 -0.02984 0.02176 0.17540 -0.17408 -0.09990 110 8D-2 0.29539 -0.23424 -0.02959 -0.10966 0.30739 111 6 Cu 1S -0.00551 -0.00439 0.00939 -0.00734 0.05676 112 2S -0.00645 -0.07255 0.03004 0.07353 0.14121 113 3S 0.11863 -0.99278 0.03994 1.81431 0.11934 114 4PX 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-0.04569 0.01840 0.04708 134 2S -0.02602 0.06265 -0.09180 0.00005 0.07633 135 3S -0.51680 0.50560 0.12188 -0.69144 -0.40871 136 4PX 0.01399 0.00660 0.00525 0.01202 -0.00563 137 4PY -0.01236 -0.01283 0.00400 0.00433 0.01528 138 4PZ -0.00128 0.02458 0.01247 0.00739 0.00119 139 5PX -0.37551 0.01068 0.06997 -0.35627 0.11909 140 5PY 0.19629 0.27510 -0.25662 -0.13924 -0.52193 141 5PZ 0.06852 -0.46091 0.05023 -0.13808 -0.01781 142 6PX 0.08024 0.20457 -0.13727 -0.06495 -0.18789 143 6PY -0.20496 -0.20173 0.19114 -0.03920 0.28561 144 6PZ -0.03372 0.30868 -0.10255 0.06810 0.13216 145 7D 0 -0.07233 -0.11305 -0.01514 -0.06666 0.01644 146 7D+1 -0.05183 0.10877 0.01425 0.02690 0.04647 147 7D-1 0.00682 0.11608 0.01939 0.06093 -0.02743 148 7D+2 0.09408 0.05916 -0.02580 0.05156 -0.10761 149 7D-2 -0.09410 -0.06093 0.07921 0.02603 0.14180 150 8D 0 0.18315 0.30172 0.01724 0.17781 -0.05317 151 8D+1 0.13614 -0.28638 -0.03899 -0.07655 -0.13553 152 8D-1 -0.02497 -0.30913 -0.02601 -0.15407 0.06354 153 8D+2 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0.08175 0.18330 17 7D-2 -0.05452 0.16702 -0.05257 -0.17019 0.12641 18 8D 0 0.33187 -0.04857 -0.24592 0.10020 -0.21460 19 8D+1 0.16913 -0.14199 0.09856 0.25978 -0.21739 20 8D-1 0.01717 -0.12271 0.48681 0.22440 0.68442 21 8D+2 -0.18461 0.25838 0.48282 -0.25139 -0.59411 22 8D-2 0.16813 -0.49534 0.15825 0.53434 -0.41378 23 2 Cu 1S 0.00554 0.00680 0.04595 -0.00412 0.04058 24 2S 0.02904 0.02444 0.15576 -0.01860 -0.02333 25 3S 0.34344 0.10714 0.73941 -0.05149 -0.44836 26 4PX -0.01992 0.00636 0.00597 -0.07219 0.00021 27 4PY -0.00543 -0.00171 -0.01645 -0.01185 0.01838 28 4PZ -0.00888 0.00104 -0.01256 -0.01307 0.00538 29 5PX 0.00323 -0.35599 0.03987 2.11670 0.15100 30 5PY -0.02811 0.01979 0.02879 0.21797 -0.96517 31 5PZ 0.00385 -0.11307 -0.56256 0.28202 -0.44581 32 6PX 0.35144 -0.26394 -0.07767 -0.61783 -0.01094 33 6PY 0.14746 -0.03786 0.18766 -0.11226 0.03259 34 6PZ -0.01465 -0.01269 0.41025 -0.05191 0.14567 35 7D 0 -0.02583 0.00690 -0.00599 -0.02973 -0.04362 36 7D+1 -0.10977 0.01692 0.00485 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0.46318 -0.18054 57 7D 0 0.02533 0.26142 0.13795 0.06453 -0.02110 58 7D+1 0.01252 -0.00470 0.02049 0.05828 0.02443 59 7D-1 0.05688 -0.11501 -0.08129 -0.10532 0.00048 60 7D+2 -0.09648 -0.08717 -0.00240 -0.11387 -0.02684 61 7D-2 -0.23877 -0.03146 0.13401 0.11256 0.03564 62 8D 0 -0.08304 -0.76079 -0.38459 -0.17883 0.05478 63 8D+1 -0.02122 0.04117 -0.07533 -0.16793 -0.07580 64 8D-1 -0.14110 0.31990 0.23754 0.31746 -0.00973 65 8D+2 0.28530 0.27588 -0.01210 0.35182 0.06864 66 8D-2 0.65767 0.09639 -0.39455 -0.31430 -0.08023 67 4 Cu 1S -0.01868 0.06119 -0.02335 0.00889 0.15358 68 2S -0.07211 0.13308 -0.06657 0.00547 0.30859 69 3S -0.71567 -0.36528 -0.58828 -0.33093 -0.70562 70 4PX 0.01901 0.01860 -0.01743 0.00691 0.00538 71 4PY -0.03119 0.01757 -0.02909 0.01814 -0.01648 72 4PZ 0.00962 -0.01114 0.02063 -0.00305 0.00392 73 5PX -0.73219 -1.17818 0.32805 -0.40641 0.05395 74 5PY 0.76614 -0.50264 1.11846 -1.07751 0.00874 75 5PZ -0.41539 0.69700 -0.58111 0.05077 0.04595 76 6PX 0.32423 0.80870 -0.39643 0.32183 -0.06406 77 6PY -0.77630 0.56595 -1.06606 0.66573 -0.19801 78 6PZ 0.06726 -0.69047 0.30606 -0.30359 -0.23735 79 7D 0 0.07773 -0.19780 0.14670 -0.01728 -0.04056 80 7D+1 0.12227 0.13413 -0.06498 0.06209 -0.01111 81 7D-1 -0.10093 0.10694 -0.15134 0.16943 -0.02775 82 7D+2 0.22250 0.09167 0.07618 0.00012 -0.00054 83 7D-2 -0.09948 -0.02737 -0.06888 0.10793 -0.04636 84 8D 0 -0.22883 0.58900 -0.40957 0.04535 0.11798 85 8D+1 -0.34089 -0.38523 0.18350 -0.17894 0.04343 86 8D-1 0.26108 -0.29383 0.44162 -0.50329 0.06808 87 8D+2 -0.65373 -0.29417 -0.23514 -0.02394 0.00800 88 8D-2 0.27463 0.06330 0.19122 -0.31937 0.11530 89 5 Cu 1S -0.02188 0.04768 -0.01120 0.04452 0.06664 90 2S -0.01685 0.15530 0.00056 0.11638 0.14470 91 3S 0.81489 0.36157 0.12295 0.48675 0.15425 92 4PX -0.00059 0.00991 0.00469 0.00400 0.01116 93 4PY -0.01208 -0.00418 -0.00124 0.00046 -0.02258 94 4PZ 0.00898 0.01159 0.00178 0.00552 -0.00714 95 5PX -0.27050 0.25168 0.29839 -0.27929 -0.21407 96 5PY 0.48754 -0.10278 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116 4PZ -0.00878 -0.00389 -0.01695 -0.00096 0.00074 117 5PX 0.68950 -0.29631 -0.35102 -0.30844 0.09240 118 5PY 0.57484 0.07584 0.56821 -0.16535 -0.55065 119 5PZ 0.24111 0.10210 1.41306 -0.05797 0.16155 120 6PX -0.74522 0.28100 0.36276 0.35858 -0.07367 121 6PY -0.35002 0.00058 -0.69154 0.00688 0.14990 122 6PZ -0.28445 -0.04645 -1.34787 -0.01894 0.05900 123 7D 0 -0.04286 -0.04078 -0.23402 -0.00020 0.02678 124 7D+1 0.03638 -0.02284 0.03985 -0.02758 -0.04124 125 7D-1 0.01721 -0.00288 0.20865 -0.00459 0.15770 126 7D+2 -0.15219 0.01253 -0.02991 0.03722 0.04014 127 7D-2 0.25875 -0.03848 -0.03908 -0.06464 -0.02003 128 8D 0 0.12393 0.11751 0.69226 0.00979 -0.07802 129 8D+1 -0.11387 0.05886 -0.11222 0.10750 0.12076 130 8D-1 -0.03447 0.01522 -0.64564 0.02189 -0.47525 131 8D+2 0.42906 -0.04847 0.08442 -0.12919 -0.12693 132 8D-2 -0.72480 0.14855 0.11601 0.22401 0.05738 133 7 Cu 1S -0.00696 -0.04737 -0.01320 -0.01317 0.05939 134 2S -0.02249 -0.14640 -0.00655 -0.04713 0.13506 135 3S -0.50951 -0.33930 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155 8 Cu 1S 0.00505 -0.00895 -0.03382 0.01246 0.11505 156 2S 0.00064 -0.02651 -0.09077 0.03596 0.19153 157 3S -0.30608 -0.13657 -0.32761 0.08161 -0.81593 158 4PX 0.00127 0.00105 0.00135 0.00256 -0.00162 159 4PY 0.00095 -0.00243 -0.01999 0.00173 0.00032 160 4PZ -0.00109 0.00015 0.01402 0.00216 0.00927 161 5PX -0.03158 -0.16192 -0.03283 0.25406 -0.05417 162 5PY -0.08058 -0.01193 -0.23046 -0.02287 0.28446 163 5PZ 0.20315 0.07464 0.43685 -0.01361 -0.19736 164 6PX 0.28159 0.04616 -0.03558 0.09159 -0.07647 165 6PY 0.22222 0.06937 0.48850 0.02547 -0.05738 166 6PZ -0.12033 -0.01667 -0.28826 -0.03981 0.35131 167 7D 0 0.05136 0.00817 0.02749 -0.00616 -0.09877 168 7D+1 -0.02320 -0.00997 -0.01556 -0.00192 0.02074 169 7D-1 -0.00584 0.00663 0.02253 -0.00670 0.00190 170 7D+2 0.02445 0.00403 0.00706 0.00167 -0.05399 171 7D-2 -0.00686 -0.01436 0.00517 0.01251 -0.04267 172 8D 0 -0.15664 -0.02984 -0.16081 0.01491 0.33233 173 8D+1 0.07732 0.03066 0.06957 -0.00556 -0.05665 174 8D-1 0.00804 -0.01788 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0.03771 0.00982 0.04917 0.02034 0.10812 186 187 188 189 190 V V V V V EIGENVALUES -- 1.58100 1.68601 1.71938 1.88193 2.06091 1 1 Cu 1S 0.16066 -0.17983 -0.09073 0.71366 -0.60667 2 2S 0.44976 -0.50112 -0.23447 1.54369 -1.28724 3 3S 2.01388 -1.15041 -0.42413 -2.19654 -0.99526 4 4PX 0.00317 0.00517 -0.01394 0.00274 0.00938 5 4PY -0.00703 -0.00647 -0.00256 -0.02143 -0.00914 6 4PZ 0.01513 -0.01290 -0.00814 0.01134 -0.03458 7 5PX -0.21219 -0.12657 0.81342 -0.37673 -0.47941 8 5PY 0.38416 -0.29358 -0.00205 1.49275 1.04572 9 5PZ 0.03367 0.23982 0.25363 0.31304 1.13937 10 6PX 0.03873 0.35243 0.45282 -0.55036 -0.24382 11 6PY -0.93171 -0.82321 0.00128 1.06427 0.89585 12 6PZ -1.20820 0.42527 0.28982 0.64054 -0.71010 13 7D 0 0.10373 -0.05258 -0.02653 0.05878 0.02432 14 7D+1 -0.04116 0.02265 -0.02372 0.01579 -0.01651 15 7D-1 0.02189 -0.00163 0.00998 -0.05213 -0.01817 16 7D+2 -0.00429 -0.01492 -0.02942 0.09242 -0.04638 17 7D-2 0.00807 -0.03270 0.07138 0.06705 -0.01275 18 8D 0 -0.34903 0.18455 0.10017 -0.24012 -0.06358 19 8D+1 0.13815 -0.08812 0.09573 -0.05652 0.05523 20 8D-1 -0.07314 0.02262 -0.02704 0.20473 0.06691 21 8D+2 0.00581 0.04836 0.10296 -0.36022 0.18173 22 8D-2 -0.02488 0.10927 -0.26159 -0.25779 0.05379 23 2 Cu 1S 0.25666 0.13077 0.02298 -0.02695 0.26341 24 2S 0.63647 0.28513 0.04705 -0.11059 0.56408 25 3S -0.37910 -1.58386 -0.45883 0.92188 1.23645 26 4PX -0.00031 -0.00269 -0.01022 0.00199 0.01010 27 4PY -0.02022 0.02388 0.00802 -0.03733 -0.05033 28 4PZ -0.00468 0.01781 0.00360 0.00979 -0.02571 29 5PX -0.02377 0.07422 0.76234 -0.10966 -0.39814 30 5PY 0.48419 -1.11600 -0.26439 1.15310 1.81569 31 5PZ 0.53610 -0.72519 -0.12922 0.16055 0.79815 32 6PX 0.21077 0.10955 -0.24966 -0.12654 0.09580 33 6PY -0.15508 -0.49386 -0.16860 0.26643 0.28631 34 6PZ -0.53625 -0.19605 -0.05742 0.49535 -0.63343 35 7D 0 0.04692 0.00548 -0.02247 -0.04467 0.03901 36 7D+1 -0.02344 0.04321 -0.05284 -0.02773 -0.00625 37 7D-1 -0.05610 -0.02106 -0.02211 0.11684 -0.03957 38 7D+2 -0.05735 0.08596 0.05110 -0.08135 0.00474 39 7D-2 -0.02107 0.04914 -0.00627 -0.05723 0.00571 40 8D 0 -0.15612 -0.03393 0.07494 0.16041 -0.13660 41 8D+1 0.07465 -0.15770 0.18605 0.09615 0.02571 42 8D-1 0.20404 0.10480 0.08551 -0.38935 0.13058 43 8D+2 0.18473 -0.32567 -0.18810 0.29638 -0.00697 44 8D-2 0.06533 -0.18708 0.01832 0.20332 -0.01513 45 3 Cu 1S 0.07315 -0.57003 0.75994 -0.68797 0.19492 46 2S 0.20442 -1.21302 1.58862 -1.32973 0.34118 47 3S 0.01983 1.83776 -1.41378 2.44690 -0.81849 48 4PX 0.00781 -0.01177 0.02693 0.01416 -0.02558 49 4PY 0.00409 -0.00264 -0.00181 0.00522 0.02447 50 4PZ -0.01076 0.00954 -0.00583 -0.00416 0.00480 51 5PX -0.07759 0.28676 -0.91480 0.00480 0.13504 52 5PY 0.00448 -0.13817 -0.10688 0.14705 -0.11116 53 5PZ 0.40795 -0.23054 0.29255 0.02127 -0.03405 54 6PX -0.15577 -0.56234 0.82780 -0.35933 -0.14797 55 6PY 0.32529 0.23596 -0.06743 -0.26992 0.56690 56 6PZ -0.00585 0.06627 0.20461 0.46329 -0.23305 57 7D 0 -0.05277 0.00133 0.04112 -0.00021 -0.04969 58 7D+1 -0.00324 0.00985 -0.01542 -0.02061 0.01119 59 7D-1 0.02692 -0.00688 0.02557 -0.00403 0.00955 60 7D+2 -0.01515 0.00433 -0.11129 -0.03151 -0.00609 61 7D-2 0.02714 -0.05700 -0.02774 -0.02053 -0.03127 62 8D 0 0.16678 -0.00191 -0.13405 0.01007 0.17021 63 8D+1 0.01680 -0.05410 0.06367 0.06414 -0.04403 64 8D-1 -0.08919 0.02356 -0.08738 0.01507 -0.02792 65 8D+2 0.04578 -0.02358 0.36650 0.09780 0.03893 66 8D-2 -0.08950 0.18952 0.08442 0.05814 0.09250 67 4 Cu 1S 0.00347 -0.09201 -0.92760 -0.69580 0.19922 68 2S 0.05264 -0.20211 -1.95457 -1.34469 0.34533 69 3S 0.07096 0.90488 1.99728 2.34140 -1.07161 70 4PX -0.00255 -0.00492 0.02099 -0.01292 0.01249 71 4PY 0.00430 -0.00539 0.00704 0.00015 0.03159 72 4PZ -0.01051 0.00268 0.02125 -0.00808 0.01450 73 5PX -0.15648 0.32505 -0.61205 0.00325 -0.08604 74 5PY -0.12656 -0.02089 -0.20036 0.10802 -0.21810 75 5PZ 0.32426 0.06121 -0.72954 -0.05249 -0.14747 76 6PX 0.14012 -0.18555 0.78284 0.22401 -0.04743 77 6PY 0.40171 0.15636 0.35295 -0.15713 0.57462 78 6PZ 0.05318 0.22030 0.20596 0.60928 -0.16354 79 7D 0 -0.04467 0.01218 -0.01842 0.01265 -0.04267 80 7D+1 0.02922 -0.04188 0.02700 -0.00363 0.01045 81 7D-1 0.03033 0.01043 -0.01698 0.00187 0.02252 82 7D+2 0.01096 -0.07798 0.06454 -0.04267 -0.02319 83 7D-2 -0.02473 0.00255 0.07315 -0.00330 0.01716 84 8D 0 0.13780 -0.03169 0.07282 -0.03462 0.14984 85 8D+1 -0.09609 0.14173 -0.07193 0.00813 -0.03081 86 8D-1 -0.10043 -0.03128 0.06464 -0.00099 -0.06428 87 8D+2 -0.03925 0.24738 -0.21685 0.13250 0.08206 88 8D-2 0.08037 -0.01363 -0.25624 0.01194 -0.04010 89 5 Cu 1S -0.63627 0.54895 -0.23393 -0.03536 -0.37756 90 2S -1.35716 1.14109 -0.52713 -0.08870 -0.69989 91 3S 0.12575 -0.00327 -0.36541 -0.36012 1.85848 92 4PX -0.02436 0.01724 -0.01217 -0.00785 0.01251 93 4PY 0.00384 -0.00963 0.00248 0.00668 0.00043 94 4PZ -0.01048 0.01106 -0.01845 0.00143 0.01363 95 5PX 0.86350 -0.89850 0.61311 0.10764 -0.08997 96 5PY -0.03766 0.08739 -0.11104 -0.04693 0.33839 97 5PZ 0.60086 -0.52587 0.46216 0.12569 -0.01514 98 6PX -0.26405 0.33502 -0.39134 -0.03301 -0.23813 99 6PY 0.02111 0.03128 -0.12820 -0.04924 -0.39607 100 6PZ 0.04245 0.00304 -0.16268 -0.02635 0.10335 101 7D 0 -0.01208 -0.01425 0.03106 -0.04837 0.02928 102 7D+1 0.09693 -0.07603 0.06416 0.01691 0.00663 103 7D-1 0.00710 0.03823 -0.01631 0.02130 0.01310 104 7D+2 0.04458 -0.04687 0.01794 0.02923 -0.00353 105 7D-2 0.00624 0.01574 -0.02120 -0.01770 0.05460 106 8D 0 0.03165 0.03059 -0.07437 0.14423 -0.09757 107 8D+1 -0.30363 0.25485 -0.20833 -0.05618 -0.03270 108 8D-1 -0.01945 -0.10653 0.03747 -0.06853 -0.05167 109 8D+2 -0.14343 0.15902 -0.06535 -0.08671 0.00754 110 8D-2 -0.01855 -0.04235 0.07619 0.05421 -0.18967 111 6 Cu 1S -0.16600 0.54531 0.14732 0.31221 1.16974 112 2S -0.33995 1.16341 0.31507 0.66092 2.33027 113 3S -0.73952 -0.62732 0.10070 -1.57091 -1.99501 114 4PX 0.00129 -0.00446 0.00173 -0.00490 0.00468 115 4PY -0.00899 0.02499 0.00818 0.02338 -0.00571 116 4PZ 0.00445 -0.00292 -0.00165 0.00614 -0.01459 117 5PX -0.09241 0.13559 -0.36086 -0.12130 -0.15570 118 5PY 0.43017 -0.65342 -0.27543 0.05287 -0.47478 119 5PZ -0.17078 0.46597 0.13897 0.32471 0.96927 120 6PX -0.13212 -0.21923 0.19520 0.02314 -0.04066 121 6PY 0.34409 0.60845 0.10994 0.36380 0.31181 122 6PZ 0.34694 0.13016 0.00574 -0.30577 -0.07455 123 7D 0 -0.02526 0.01777 0.00028 0.00526 -0.07511 124 7D+1 0.01508 0.00936 0.00139 0.01989 0.04100 125 7D-1 -0.04882 0.01991 -0.00615 -0.06593 0.01940 126 7D+2 -0.02164 0.04814 0.05351 0.00561 0.05054 127 7D-2 -0.00634 0.04950 -0.08942 0.01181 0.01801 128 8D 0 0.07938 -0.03729 0.00306 0.01522 0.27513 129 8D+1 -0.04553 -0.03815 -0.01439 -0.07998 -0.15465 130 8D-1 0.15006 -0.05158 0.02056 0.22605 -0.05146 131 8D+2 0.06536 -0.15148 -0.16789 -0.01629 -0.18590 132 8D-2 0.02039 -0.15988 0.28302 -0.04152 -0.07050 133 7 Cu 1S -0.55873 0.30046 0.57121 0.06444 -0.30923 134 2S -1.19572 0.60641 1.22800 0.12129 -0.57051 135 3S -0.26954 0.13710 0.53425 -0.62844 1.51831 136 4PX 0.02308 -0.00485 -0.02565 0.00384 -0.01410 137 4PY 0.01246 -0.00977 -0.01813 0.00768 -0.00410 138 4PZ -0.00062 -0.00256 0.01472 0.00496 0.00823 139 5PX -0.85906 0.43021 1.20932 0.00255 -0.02260 140 5PY -0.46865 0.25746 0.62680 -0.08486 0.28993 141 5PZ 0.21660 -0.02454 -0.38670 0.00113 -0.04304 142 6PX 0.19095 -0.04079 -0.53404 0.06465 0.32733 143 6PY -0.02721 0.06659 -0.03307 -0.06360 -0.35927 144 6PZ 0.02802 0.01488 0.00560 -0.01368 0.18638 145 7D 0 -0.05398 0.01193 0.02105 -0.04342 0.02281 146 7D+1 -0.03874 0.00028 0.07689 0.02169 -0.01338 147 7D-1 -0.00962 0.02303 0.05231 0.03248 -0.00840 148 7D+2 0.04599 -0.01528 -0.04008 0.00616 0.03570 149 7D-2 0.04377 -0.03693 -0.08158 0.02193 -0.03750 150 8D 0 0.15820 -0.04082 -0.09521 0.12804 -0.06988 151 8D+1 0.12386 -0.00605 -0.24248 -0.06188 0.05022 152 8D-1 0.03750 -0.07553 -0.14912 -0.09954 0.02603 153 8D+2 -0.14443 0.06088 0.13908 -0.01424 -0.12863 154 8D-2 -0.14166 0.11437 0.26481 -0.05921 0.12634 155 8 Cu 1S -0.31108 0.07761 0.06686 -0.52813 -0.50910 156 2S -0.63974 0.13793 0.12620 -1.14716 -1.00283 157 3S 0.07354 0.32701 -0.06938 -0.69400 -0.12170 158 4PX 0.00111 0.00352 -0.00025 0.00883 0.00174 159 4PY -0.01094 -0.00228 -0.00076 -0.02111 0.00022 160 4PZ -0.00037 -0.01130 -0.00406 -0.01996 -0.00981 161 5PX -0.11359 -0.01973 -0.04584 -0.47233 -0.28098 162 5PY 0.55095 -0.14988 -0.10306 1.34975 0.48644 163 5PZ 0.12871 0.24116 0.09179 0.73794 0.77391 164 6PX 0.03181 0.04357 -0.16610 0.21590 0.12208 165 6PY -0.27020 -0.14673 0.02203 -0.39526 -0.24367 166 6PZ 0.49918 -0.06839 -0.09076 -0.42800 -0.10056 167 7D 0 -0.02688 0.07649 0.02771 -0.01315 0.11421 168 7D+1 -0.00580 -0.02975 0.00261 -0.04976 -0.05220 169 7D-1 0.03742 0.01128 0.00623 0.09374 0.02594 170 7D+2 -0.04598 0.02552 0.01196 -0.12790 0.00733 171 7D-2 -0.01881 0.00647 0.00105 -0.08836 -0.00403 172 8D 0 0.07309 -0.23190 -0.08476 0.06191 -0.39813 173 8D+1 0.02439 0.08536 -0.00722 0.16839 0.18580 174 8D-1 -0.11425 -0.03020 -0.01532 -0.32416 -0.10102 175 8D+2 0.14854 -0.09002 -0.04310 0.44780 -0.02070 176 8D-2 0.06471 -0.02902 0.00121 0.30859 0.02006 177 9 C 1S -0.02396 -0.00994 -0.00143 -0.00827 0.00121 178 2S -0.06199 0.03416 0.01350 0.13039 -0.17810 179 3S -1.24680 -2.25943 -0.63342 1.05295 1.69605 180 4PX -0.05879 -0.03658 0.01128 -0.02995 0.03754 181 4PY 0.25984 0.12926 0.02497 0.17990 -0.12803 182 4PZ 0.11397 0.01988 0.00363 0.02164 -0.05114 183 5PX -0.18151 -0.04533 -0.11852 -0.02211 0.03649 184 5PY 0.49183 0.23970 0.03249 -0.37102 -0.25901 185 5PZ 0.18425 0.33568 0.06058 0.21752 -0.16471 186 10 O 1S 0.05589 0.05538 0.01388 -0.01979 -0.01730 187 2S -1.25420 -1.28960 -0.32685 0.48091 0.59010 188 3S 2.32307 2.44659 0.62447 -0.91800 -1.35955 189 4PX -0.00049 0.01066 0.00065 -0.02891 0.00236 190 4PY -0.00879 -0.06481 -0.01815 0.03842 -0.02062 191 4PZ -0.02117 0.02349 0.00503 0.08335 -0.02031 192 5PX -0.15324 -0.18881 -0.02883 0.12050 0.09341 193 5PY 0.65336 0.78165 0.20112 -0.21629 -0.31570 194 5PZ 0.32107 0.17859 0.04866 -0.31466 -0.09639 191 192 193 194 V V V V EIGENVALUES -- 2.64061 2.75330 4.05970 10.64344 1 1 Cu 1S 0.13289 -0.04557 -1.33399 -1.79376 2 2S 0.28381 -0.10822 -2.29916 -2.80939 3 3S 1.30536 -1.56114 11.36973 7.30199 4 4PX 0.02042 0.06641 0.00720 -0.01187 5 4PY 0.07284 -0.06619 -0.03833 0.03010 6 4PZ 0.02500 -0.01417 0.05501 0.06553 7 5PX -0.18156 -1.63450 -0.14241 -0.49780 8 5PY -2.01019 2.23214 0.15767 2.08045 9 5PZ -0.63465 0.50874 -0.92887 -0.39168 10 6PX 3.17931 4.42307 1.02483 -0.73711 11 6PY 3.41792 -2.00887 -2.90511 -0.25518 12 6PZ 0.69470 0.77254 -4.51675 -1.43316 13 7D 0 0.00828 -0.00533 -0.02205 -0.00568 14 7D+1 -0.01928 -0.00472 -0.00298 0.00072 15 7D-1 -0.03044 0.00177 0.03501 -0.00518 16 7D+2 -0.02343 0.07440 -0.00477 -0.00466 17 7D-2 -0.06379 -0.02889 -0.01172 -0.00196 18 8D 0 -0.03845 0.02366 0.09292 0.04340 19 8D+1 0.07182 0.01599 0.01073 0.01031 20 8D-1 0.12184 -0.00958 -0.14316 -0.02521 21 8D+2 0.08621 -0.29401 0.00820 0.06805 22 8D-2 0.24291 0.11648 0.05069 0.03904 23 2 Cu 1S 0.07192 -0.10707 1.24745 -3.14862 24 2S 0.10250 -0.16526 2.20184 -5.04244 25 3S -1.35498 1.63540 -5.18817 9.72017 26 4PX 0.05797 0.04647 0.01318 0.00931 27 4PY -0.00528 0.02370 -0.05363 -0.07134 28 4PZ 0.00427 0.01528 -0.01007 0.01766 29 5PX -0.98970 -1.69037 0.40464 -1.68242 30 5PY -1.64810 1.55298 -1.88866 7.27375 31 5PZ -0.67244 0.36058 -0.78625 1.95737 32 6PX -0.91477 -1.00062 0.04339 0.57859 33 6PY -0.00892 -0.26024 0.21953 0.28166 34 6PZ 0.12761 -0.61111 0.94633 -1.75420 35 7D 0 0.00535 0.00790 0.01379 -0.00365 36 7D+1 0.01310 0.02736 0.00961 -0.01724 37 7D-1 0.02673 0.00030 -0.03453 0.04943 38 7D+2 -0.05218 0.00734 0.02943 -0.04541 39 7D-2 0.02474 0.04897 0.01955 -0.02614 40 8D 0 -0.02756 -0.02195 -0.08186 0.08882 41 8D+1 -0.05513 -0.10236 -0.05842 0.11446 42 8D-1 -0.08340 -0.02189 0.21463 -0.36493 43 8D+2 0.18858 -0.01547 -0.18616 0.37124 44 8D-2 -0.09825 -0.17575 -0.11905 0.20632 45 3 Cu 1S 0.15205 0.73822 -0.77979 -0.85677 46 2S 0.29960 1.36094 -1.33782 -1.37647 47 3S -0.20493 -2.57158 1.19755 -1.14448 48 4PX 0.00425 -0.01258 0.03025 0.02608 49 4PY 0.00047 -0.00304 0.00003 0.01990 50 4PZ 0.00316 0.02970 -0.01354 -0.02737 51 5PX -0.11390 -0.32271 -0.04199 0.38810 52 5PY -0.43348 0.08338 -0.20563 0.81643 53 5PZ 0.01313 -0.14647 -0.00649 -0.53553 54 6PX 0.16431 0.27307 0.05597 0.08896 55 6PY -0.15177 -0.20675 -0.48834 1.05108 56 6PZ 0.00235 0.14007 0.02181 0.33966 57 7D 0 0.01655 0.03260 0.00423 0.00513 58 7D+1 -0.00682 0.02596 0.00358 -0.01218 59 7D-1 -0.00333 -0.01265 0.00353 -0.00635 60 7D+2 0.00032 -0.00672 -0.01943 -0.00328 61 7D-2 -0.02465 0.00527 0.01361 0.01463 62 8D 0 -0.06159 -0.11808 -0.00935 -0.02459 63 8D+1 0.02692 -0.11058 -0.01124 0.08571 64 8D-1 0.00542 0.04503 -0.02109 0.06110 65 8D+2 -0.00653 0.03137 0.07816 0.01492 66 8D-2 0.10189 -0.02476 -0.04408 -0.09912 67 4 Cu 1S -0.72075 -0.14207 -0.82204 -0.84645 68 2S -1.32838 -0.28770 -1.42167 -1.36410 69 3S 2.83076 -0.05513 1.07770 -1.45356 70 4PX -0.00064 0.00592 -0.02235 -0.01998 71 4PY 0.00261 0.00451 -0.00850 0.01152 72 4PZ -0.03321 0.00153 -0.02304 -0.03468 73 5PX -0.26953 -0.29392 0.04212 -0.49906 74 5PY -0.11609 0.29619 -0.23007 0.61159 75 5PZ 0.14417 -0.16166 -0.05556 -0.72910 76 6PX 0.47436 -0.06029 0.15401 -0.25278 77 6PY 0.39595 0.43422 -0.60698 0.80722 78 6PZ -0.14034 0.07032 0.11065 0.12905 79 7D 0 -0.02264 -0.01421 0.00243 0.01347 80 7D+1 0.03442 0.00851 -0.00585 0.01083 81 7D-1 0.02351 0.00339 -0.00127 -0.00551 82 7D+2 -0.00661 0.01109 -0.00477 0.00330 83 7D-2 -0.00276 -0.01528 -0.02168 -0.01203 84 8D 0 0.07580 0.05361 -0.00605 -0.08435 85 8D+1 -0.13429 -0.03339 0.01917 -0.08644 86 8D-1 -0.08861 -0.00200 -0.00701 0.05235 87 8D+2 0.02658 -0.04452 0.02599 -0.02233 88 8D-2 0.00590 0.06696 0.08297 0.07302 89 5 Cu 1S 0.42880 1.23745 -0.01305 -0.53721 90 2S 0.80222 2.30465 -0.01311 -0.80241 91 3S -1.06969 -3.10521 -2.33334 -2.57455 92 4PX -0.01023 -0.02823 -0.01473 0.01084 93 4PY -0.00823 0.01693 0.01805 0.01268 94 4PZ -0.00685 -0.01033 0.00673 0.02573 95 5PX -0.09449 -0.71171 0.13058 0.81197 96 5PY -0.28960 -0.06305 -0.42879 0.20051 97 5PZ -0.24784 -0.37426 -0.04208 0.11662 98 6PX -0.11777 0.47164 0.32892 0.39107 99 6PY -1.24050 -0.24998 0.23632 -0.05111 100 6PZ -0.33930 -0.35939 0.62448 0.97993 101 7D 0 0.00714 0.02981 0.00196 -0.00213 102 7D+1 -0.01395 -0.02222 0.00407 -0.00734 103 7D-1 -0.02334 -0.02304 0.01254 -0.01635 104 7D+2 0.02985 -0.02990 -0.03177 0.00652 105 7D-2 -0.00344 0.00731 0.02426 0.00764 106 8D 0 -0.02360 -0.12239 -0.01556 0.01255 107 8D+1 0.06504 0.10633 -0.01242 0.00203 108 8D-1 0.09680 0.08587 -0.05388 0.06934 109 8D+2 -0.10617 0.13414 0.14081 -0.05714 110 8D-2 0.02896 -0.04456 -0.09640 -0.05457 111 6 Cu 1S 0.38715 -0.29345 -0.96307 -0.25999 112 2S 0.70257 -0.52685 -1.64968 -0.43738 113 3S -1.95693 1.76251 0.41600 -2.21670 114 4PX -0.00463 0.00857 -0.00445 0.00095 115 4PY -0.00276 0.00297 0.03884 -0.00640 116 4PZ 0.03181 -0.03038 -0.00836 -0.00228 117 5PX 0.17696 -0.12588 0.06349 -0.02604 118 5PY -0.21215 0.27943 0.12436 0.57878 119 5PZ -0.31295 0.37108 -0.53558 -0.42296 120 6PX -0.23174 0.24267 -0.64008 -0.17071 121 6PY 0.61911 -0.43760 1.89811 0.21679 122 6PZ 0.51758 -0.33594 0.71871 0.19081 123 7D 0 0.04186 -0.05150 0.01656 0.00033 124 7D+1 -0.03194 0.00783 0.00174 0.00253 125 7D-1 0.01036 -0.02193 -0.01115 -0.00538 126 7D+2 0.01531 -0.00959 0.02288 0.00710 127 7D-2 -0.00343 -0.00592 0.01057 0.00399 128 8D 0 -0.14429 0.18462 -0.07526 -0.01125 129 8D+1 0.11522 -0.02803 -0.00045 -0.00875 130 8D-1 -0.05380 0.10057 0.06016 0.03063 131 8D+2 -0.06284 0.04264 -0.07422 -0.03320 132 8D-2 0.01019 0.01967 -0.03792 -0.01935 133 7 Cu 1S -1.26046 -0.46916 -0.13425 -0.54930 134 2S -2.35285 -0.88316 -0.24185 -0.83222 135 3S 3.55392 1.00122 -2.51753 -3.30138 136 4PX -0.02343 -0.01218 0.00389 -0.02148 137 4PY -0.02694 0.00501 0.02109 0.00891 138 4PZ 0.00298 0.00294 0.00939 0.01917 139 5PX -0.68580 -0.34888 -0.12276 -0.93374 140 5PY -0.02926 0.10553 -0.58800 -0.24097 141 5PZ 0.16039 0.14620 -0.07201 -0.20329 142 6PX 0.32060 -0.59012 -0.45268 -0.53202 143 6PY 0.17176 1.11323 -0.14306 -0.55143 144 6PZ 0.31687 0.25244 0.30392 0.49815 145 7D 0 -0.03476 -0.02211 -0.01034 0.00240 146 7D+1 -0.00104 -0.01793 -0.01175 0.01458 147 7D-1 0.02109 0.01538 0.00263 -0.01118 148 7D+2 0.03063 -0.01801 -0.00713 0.00276 149 7D-2 0.01138 -0.01457 -0.03207 0.00677 150 8D 0 0.14590 0.08879 0.03902 0.00824 151 8D+1 0.01472 0.07743 0.05333 -0.05619 152 8D-1 -0.07935 -0.05806 -0.01331 0.05602 153 8D+2 -0.12479 0.04987 0.03769 -0.05320 154 8D-2 -0.06636 0.06340 0.13286 -0.04024 155 8 Cu 1S 1.03930 -1.14241 -0.22155 -0.29507 156 2S 1.89919 -2.10672 -0.34288 -0.45074 157 3S -3.02203 2.71595 -0.85236 -1.60146 158 4PX 0.00487 -0.01229 -0.00105 -0.00287 159 4PY -0.03094 0.02467 -0.01281 0.00210 160 4PZ -0.01744 0.01184 0.00903 0.00580 161 5PX 0.25334 -0.17519 0.01419 -0.11703 162 5PY -0.37832 0.79056 0.48382 0.66288 163 5PZ -0.21423 0.40606 -0.20378 -0.02789 164 6PX -0.97240 -0.71680 -0.24601 0.06992 165 6PY -0.07740 -0.39164 -0.42868 0.20055 166 6PZ -0.03803 -0.20638 2.06477 0.48812 167 7D 0 0.00974 -0.01304 -0.02257 -0.00197 168 7D+1 0.00644 -0.00991 0.02209 0.00646 169 7D-1 -0.00074 0.02261 -0.00156 -0.00461 170 7D+2 0.01497 -0.05545 0.03067 0.01478 171 7D-2 0.03661 -0.00564 0.02591 0.01043 172 8D 0 -0.03132 0.04680 0.09355 0.01511 173 8D+1 -0.03681 0.04973 -0.09050 -0.02837 174 8D-1 0.02477 -0.10697 0.01077 0.01785 175 8D+2 -0.07762 0.23004 -0.11945 -0.05679 176 8D-2 -0.14582 0.04335 -0.10380 -0.04167 177 9 C 1S 0.00347 -0.00564 0.01500 -0.04884 178 2S 0.23546 -0.28057 0.36852 -0.97655 179 3S -0.61177 0.87730 -0.83939 4.56077 180 4PX -0.10589 -0.07446 0.02295 -0.01768 181 4PY 0.04396 -0.06820 -0.06923 0.13697 182 4PZ 0.00512 -0.03490 -0.06551 -0.02306 183 5PX 0.89608 0.48560 0.54666 -1.07050 184 5PY -0.55526 0.92340 -2.21306 3.70234 185 5PZ -0.13603 0.44556 -0.70665 2.20962 186 10 O 1S -0.00307 0.00253 0.00018 -0.01028 187 2S 0.17268 -0.17298 0.56634 -0.49472 188 3S -0.41902 0.42792 -1.70724 1.73168 189 4PX 0.08719 0.08161 0.02574 -0.04610 190 4PY 0.00825 0.03128 -0.10778 0.15702 191 4PZ 0.02985 0.00430 -0.01155 0.10224 192 5PX -0.34065 -0.32476 -0.00927 0.14177 193 5PY -0.05141 -0.10276 0.07306 -0.41848 194 5PZ -0.10750 -0.02760 -0.10505 -0.37886 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 2.00437 2 2S 0.00933 0.30157 3 3S 0.05719 -0.17902 1.17144 4 4PX -0.00004 -0.00109 0.02493 1.99871 5 4PY -0.00082 0.00220 -0.05049 -0.00120 2.00334 6 4PZ 0.00281 0.00933 -0.12364 0.00001 0.00060 7 5PX 0.00076 0.00149 0.01294 0.02216 0.00017 8 5PY -0.00102 -0.01220 0.00705 -0.00088 0.01793 9 5PZ -0.00734 0.00236 -0.12787 -0.00329 0.00559 10 6PX 0.00146 -0.00319 0.01830 -0.04287 -0.01575 11 6PY -0.00809 0.00931 -0.08005 -0.01474 -0.00365 12 6PZ -0.01767 0.12223 -0.23995 -0.00983 0.02438 13 7D 0 0.00082 0.03641 0.29391 -0.00041 0.00031 14 7D+1 -0.00021 -0.00456 -0.02421 -0.00394 -0.00047 15 7D-1 0.00074 -0.01085 -0.11897 0.00000 -0.00564 16 7D+2 0.00093 0.02175 0.17053 0.00283 -0.00313 17 7D-2 0.00002 0.01347 0.11795 -0.00328 -0.00128 18 8D 0 0.00116 0.01216 0.09955 -0.00025 0.00001 19 8D+1 -0.00017 -0.00237 -0.00806 -0.00187 0.00026 20 8D-1 0.00020 -0.00162 -0.03959 0.00046 -0.00201 21 8D+2 0.00074 0.00536 0.05877 0.00003 0.00091 22 8D-2 0.00027 0.00317 0.04042 -0.00002 0.00075 23 2 Cu 1S -0.00446 -0.00701 -0.00602 -0.00035 0.00143 24 2S -0.00860 0.09044 -0.24491 -0.00794 0.03418 25 3S -0.00315 0.01420 -0.32438 -0.01081 0.03383 26 4PX 0.00032 0.00840 -0.01074 0.00578 0.00254 27 4PY -0.00167 -0.02945 0.02986 0.00281 -0.00546 28 4PZ -0.00046 -0.02030 0.03731 0.00092 -0.00187 29 5PX 0.00068 -0.01407 0.06022 -0.01897 -0.01541 30 5PY -0.00318 0.03568 -0.25653 -0.01721 0.04247 31 5PZ -0.00082 0.05186 -0.07973 -0.00688 0.01850 32 6PX 0.00201 -0.00909 0.03418 0.02033 0.00295 33 6PY -0.00098 0.01075 -0.05534 0.00213 0.00392 34 6PZ -0.00261 -0.00861 -0.01423 0.00105 0.00250 35 7D 0 0.00119 -0.00098 -0.06463 0.00111 -0.00527 36 7D+1 -0.00037 -0.02068 -0.00040 -0.00437 -0.00873 37 7D-1 0.00034 0.05041 0.08502 -0.00777 0.02302 38 7D+2 0.00029 -0.05805 -0.02611 0.01094 -0.02298 39 7D-2 0.00002 -0.03098 -0.02890 -0.00514 -0.01502 40 8D 0 0.00022 -0.00329 -0.01702 -0.00003 -0.00019 41 8D+1 -0.00016 -0.00629 -0.00121 -0.00192 -0.00196 42 8D-1 0.00033 0.01718 0.02736 -0.00185 0.00397 43 8D+2 -0.00014 -0.02066 -0.00751 0.00313 -0.00362 44 8D-2 -0.00013 -0.01096 -0.00925 -0.00314 -0.00296 45 3 Cu 1S -0.00343 -0.01095 0.00732 -0.00271 -0.00017 46 2S -0.01045 0.03172 -0.18256 -0.03538 0.00442 47 3S -0.00802 -0.02368 -0.04480 -0.00467 -0.00281 48 4PX 0.00075 0.00991 0.03269 0.00206 -0.00011 49 4PY 0.00078 0.00342 -0.00040 -0.00174 0.00457 50 4PZ -0.00147 -0.02480 -0.01014 0.00157 -0.00155 51 5PX 0.00370 -0.00780 0.03035 -0.00335 0.00166 52 5PY -0.00008 0.00205 -0.00985 0.00030 -0.00960 53 5PZ -0.00419 0.04870 -0.05496 -0.00952 0.00307 54 6PX 0.00144 -0.01374 0.01873 0.00280 -0.00036 55 6PY 0.00218 -0.00504 0.01526 0.00377 0.00332 56 6PZ -0.00078 0.00278 -0.03330 0.01394 -0.00043 57 7D 0 0.00116 0.01618 0.14124 -0.01455 -0.00078 58 7D+1 -0.00119 -0.04357 -0.29594 0.01690 -0.00154 59 7D-1 0.00100 0.01879 0.06927 -0.00551 -0.00631 60 7D+2 0.00117 0.01694 0.11694 -0.00410 -0.00077 61 7D-2 -0.00098 -0.00517 -0.11870 -0.00030 0.00172 62 8D 0 0.00026 0.00576 0.04618 -0.00484 0.00017 63 8D+1 -0.00014 -0.01496 -0.10120 0.00354 -0.00055 64 8D-1 0.00033 0.00699 0.02270 -0.00209 -0.00290 65 8D+2 0.00037 0.00576 0.03986 -0.00025 0.00010 66 8D-2 -0.00036 -0.00218 -0.03770 -0.00031 0.00098 67 4 Cu 1S -0.00335 -0.01091 0.00696 0.00148 0.00055 68 2S -0.01054 0.02924 -0.17961 0.01695 0.01393 69 3S -0.00922 -0.02514 -0.04727 0.00046 -0.00163 70 4PX -0.00047 -0.00164 -0.02400 0.00314 -0.00006 71 4PY 0.00058 0.00098 -0.00818 0.00090 0.00508 72 4PZ -0.00160 -0.02659 -0.01853 -0.00079 -0.00199 73 5PX -0.00205 -0.01084 -0.00354 -0.00867 -0.00190 74 5PY -0.00131 0.00170 -0.01939 -0.00067 -0.01042 75 5PZ -0.00547 0.04668 -0.06086 0.00493 0.00522 76 6PX -0.00110 0.00500 0.00156 0.00925 0.00403 77 6PY 0.00098 0.00442 -0.00007 0.00162 0.00384 78 6PZ -0.00125 0.00777 -0.03685 -0.00940 -0.00525 79 7D 0 0.00157 0.03530 0.28066 0.01200 0.00662 80 7D+1 0.00005 0.02045 0.12202 -0.00315 0.00338 81 7D-1 0.00157 0.03106 0.18727 0.00603 -0.00247 82 7D+2 0.00017 0.00178 -0.04762 0.00156 -0.00087 83 7D-2 0.00099 0.00295 0.09224 -0.00259 -0.00111 84 8D 0 0.00020 0.01226 0.09424 0.00362 0.00239 85 8D+1 -0.00017 0.00656 0.04389 -0.00257 0.00072 86 8D-1 0.00040 0.01115 0.06217 0.00178 -0.00181 87 8D+2 0.00008 0.00039 -0.01488 0.00027 0.00005 88 8D-2 0.00037 0.00099 0.02965 -0.00143 -0.00040 89 5 Cu 1S -0.00252 -0.00549 -0.00183 -0.00396 0.00112 90 2S -0.00475 0.14474 -0.22368 -0.04450 0.02329 91 3S -0.00859 0.08078 -0.19968 -0.01574 0.00731 92 4PX -0.00010 0.01777 0.08106 0.00182 0.00099 93 4PY 0.00100 -0.00165 -0.03237 -0.00143 0.00236 94 4PZ 0.00143 0.00595 -0.01547 -0.00298 0.00151 95 5PX 0.00279 -0.04314 0.07005 -0.00004 -0.00307 96 5PY -0.00133 0.01640 -0.04040 -0.00511 -0.00484 97 5PZ -0.00002 0.01020 0.01689 0.00314 0.00006 98 6PX 0.00150 0.01024 0.03490 -0.00424 0.00235 99 6PY 0.00024 -0.00902 -0.00857 0.01069 0.00258 100 6PZ 0.00445 -0.02474 0.04068 0.00808 -0.00381 101 7D 0 -0.00178 -0.03445 -0.16095 0.02023 -0.00809 102 7D+1 -0.00103 0.00200 0.02074 -0.00762 0.00284 103 7D-1 0.00004 -0.00188 0.01486 0.00496 -0.00011 104 7D+2 0.00139 0.03585 0.11206 -0.01678 0.01684 105 7D-2 -0.00314 -0.05561 -0.30142 0.02764 0.00116 106 8D 0 -0.00100 -0.01226 -0.05416 0.00391 -0.00143 107 8D+1 -0.00013 0.00213 0.00529 -0.00130 0.00030 108 8D-1 -0.00006 -0.00042 0.00487 0.00139 0.00001 109 8D+2 0.00113 0.01306 0.03804 -0.00160 0.00516 110 8D-2 -0.00169 -0.01970 -0.10052 0.00619 0.00228 111 6 Cu 1S -0.00328 -0.00733 0.00507 -0.00002 -0.00285 112 2S -0.00716 0.08551 -0.11657 0.00425 -0.04585 113 3S -0.00444 0.00772 -0.10402 -0.00377 0.00219 114 4PX 0.00022 0.00354 -0.00539 0.00215 -0.00051 115 4PY 0.00082 0.00795 0.04614 -0.00060 0.00249 116 4PZ -0.00184 -0.02470 -0.02838 -0.00063 0.00113 117 5PX -0.00021 -0.01062 0.00530 -0.00802 0.00106 118 5PY 0.00247 -0.00573 0.02039 0.00180 -0.00568 119 5PZ -0.00188 0.05740 -0.04554 0.00096 -0.00629 120 6PX -0.00225 0.01717 -0.04757 0.00294 0.00147 121 6PY 0.00547 -0.03137 0.13399 0.00205 -0.00803 122 6PZ 0.00329 -0.03322 0.06053 -0.00007 0.00705 123 7D 0 0.00029 0.01041 -0.04017 -0.00045 -0.01268 124 7D+1 -0.00002 0.00679 0.04363 -0.01059 -0.00199 125 7D-1 -0.00140 -0.06237 -0.31975 -0.00083 0.02602 126 7D+2 -0.00128 -0.02538 -0.21303 -0.00020 0.00772 127 7D-2 -0.00018 0.00236 -0.02667 0.00833 -0.00038 128 8D 0 0.00024 0.00390 -0.01693 -0.00006 -0.00408 129 8D+1 -0.00009 0.00222 0.01550 -0.00456 -0.00068 130 8D-1 -0.00085 -0.02242 -0.10846 -0.00034 0.00527 131 8D+2 -0.00090 -0.00938 -0.07503 -0.00013 0.00019 132 8D-2 -0.00018 0.00073 -0.00993 0.00371 -0.00027 133 7 Cu 1S -0.00256 -0.00543 -0.00147 0.00335 0.00228 134 2S -0.00505 0.14143 -0.21525 0.03440 0.03720 135 3S -0.01078 0.08603 -0.21017 0.01034 0.01104 136 4PX -0.00078 -0.01719 -0.05701 0.00127 -0.00191 137 4PY 0.00081 -0.00832 -0.05217 0.00129 0.00245 138 4PZ 0.00117 -0.00092 -0.03702 0.00215 0.00198 139 5PX -0.00241 0.02930 -0.05119 -0.00316 0.00340 140 5PY -0.00265 0.03020 -0.06433 0.00422 -0.00250 141 5PZ -0.00096 0.02409 -0.00837 -0.00133 0.00037 142 6PX -0.00228 -0.00126 -0.03419 0.00120 -0.00070 143 6PY -0.00188 -0.00269 -0.04187 -0.01088 -0.00243 144 6PZ 0.00260 -0.01876 0.01162 -0.00898 -0.00859 145 7D 0 -0.00085 -0.02685 -0.13839 -0.01357 -0.01262 146 7D+1 0.00144 0.01853 0.06121 0.00727 0.01010 147 7D-1 0.00150 0.02420 0.13998 0.00892 0.00516 148 7D+2 -0.00132 -0.01033 -0.10515 -0.00976 0.00962 149 7D-2 0.00269 0.06038 0.30051 0.02634 0.01998 150 8D 0 -0.00063 -0.01034 -0.04554 -0.00223 -0.00181 151 8D+1 0.00064 0.00563 0.02159 0.00126 0.00280 152 8D-1 0.00067 0.00842 0.04685 0.00221 0.00074 153 8D+2 -0.00033 -0.00296 -0.03461 -0.00446 0.00361 154 8D-2 0.00171 0.02178 0.10019 0.00458 0.00323 155 8 Cu 1S -0.00201 -0.00302 -0.01693 0.00193 -0.00583 156 2S -0.00096 0.17112 -0.16182 0.01548 -0.05243 157 3S -0.00754 0.13638 -0.34133 0.00651 -0.02019 158 4PX -0.00001 -0.00467 -0.03371 0.00104 0.00017 159 4PY -0.00083 0.01158 0.11988 -0.00063 0.00263 160 4PZ 0.00076 0.00775 -0.00547 0.00061 -0.00257 161 5PX -0.00032 0.01175 -0.02839 -0.00689 -0.00298 162 5PY 0.00197 -0.04883 0.09193 -0.00235 -0.00046 163 5PZ 0.00052 -0.00103 0.04148 -0.00144 0.00489 164 6PX -0.00082 -0.00061 -0.01936 0.00508 0.00310 165 6PY 0.00033 0.01899 0.01276 0.00275 -0.00001 166 6PZ 0.00707 -0.04053 0.11300 0.00216 -0.00791 167 7D 0 -0.00233 -0.04882 -0.06865 -0.00615 0.02065 168 7D+1 0.00026 -0.00259 -0.04846 0.00172 0.00414 169 7D-1 -0.00020 0.02692 0.06185 0.00606 -0.01730 170 7D+2 -0.00302 -0.05760 -0.18831 -0.01798 0.02519 171 7D-2 -0.00156 -0.03647 -0.10644 0.01057 0.02175 172 8D 0 -0.00133 -0.01636 -0.02491 -0.00128 0.00437 173 8D+1 -0.00016 -0.00194 -0.01566 0.00091 0.00085 174 8D-1 0.00029 0.01010 0.01906 0.00155 -0.00370 175 8D+2 -0.00233 -0.02177 -0.06527 -0.00573 0.00415 176 8D-2 -0.00137 -0.01385 -0.03680 0.00574 0.00508 177 9 C 1S 0.00061 0.01633 -0.02764 -0.00103 0.00416 178 2S 0.00091 -0.03250 0.07476 0.00318 -0.01226 179 3S 0.00275 -0.05306 0.10887 -0.00075 -0.00211 180 4PX -0.00029 0.00684 -0.04633 -0.00945 0.00006 181 4PY 0.00077 -0.04190 0.17392 -0.00028 -0.00797 182 4PZ 0.00102 0.00997 0.08339 0.00025 -0.00308 183 5PX -0.00042 0.00383 0.00228 -0.00176 -0.00101 184 5PY 0.00116 -0.02262 -0.00119 -0.00122 0.00210 185 5PZ 0.00101 0.00371 -0.01536 -0.00039 0.00102 186 10 O 1S 0.00047 -0.00152 -0.01322 0.00029 -0.00116 187 2S -0.00130 0.00663 0.02060 -0.00092 0.00363 188 3S -0.00088 0.00015 0.05894 -0.00071 0.00351 189 4PX 0.00002 -0.00306 0.03791 0.00889 0.00026 190 4PY 0.00004 0.02416 -0.17134 0.00072 0.00594 191 4PZ -0.00048 -0.01298 -0.02737 -0.00005 0.00265 192 5PX 0.00003 -0.00114 0.00714 0.00467 0.00073 193 5PY 0.00010 0.01318 -0.04139 0.00116 0.00103 194 5PZ -0.00042 -0.01015 0.00691 0.00027 0.00047 6 7 8 9 10 6 4PZ 1.99684 7 5PX -0.00351 0.12705 8 5PY 0.00853 -0.02789 0.18754 9 5PZ 0.04026 -0.00578 0.03518 0.10442 10 6PX -0.00557 0.05759 -0.01183 0.00877 0.43796 11 6PY 0.01709 0.00129 0.01723 -0.01275 -0.08705 12 6PZ -0.01006 0.00455 0.00389 0.01686 0.03154 13 7D 0 -0.00430 0.00913 -0.04308 0.05238 0.00238 14 7D+1 0.00062 0.04761 0.00475 -0.01440 0.14105 15 7D-1 -0.00155 0.00645 0.08980 0.00552 0.04766 16 7D+2 -0.00101 -0.02416 -0.02014 -0.03185 -0.01418 17 7D-2 -0.00085 0.07130 -0.00353 0.00070 0.09840 18 8D 0 -0.00160 0.00295 -0.01447 0.01557 0.00121 19 8D+1 0.00038 0.01428 0.00151 -0.00440 0.04868 20 8D-1 -0.00180 0.00261 0.02819 0.00079 0.01563 21 8D+2 -0.00014 -0.00799 -0.00754 -0.01088 -0.00723 22 8D-2 0.00034 0.02461 -0.00099 0.00057 0.03547 23 2 Cu 1S 0.00027 -0.00229 0.00876 0.00299 -0.00450 24 2S 0.00744 0.01513 -0.06592 0.00566 -0.00169 25 3S 0.02541 -0.02138 0.06487 0.03937 -0.11041 26 4PX 0.00118 -0.01285 -0.00932 -0.00327 0.02979 27 4PY -0.00321 -0.01198 0.03199 0.01198 0.00225 28 4PZ 0.00329 -0.00289 0.00651 -0.00973 -0.00632 29 5PX -0.00904 0.02491 0.00269 -0.00580 0.08217 30 5PY 0.02982 -0.00176 0.01276 0.02533 -0.02201 31 5PZ -0.00334 -0.00152 -0.00187 0.03344 0.01469 32 6PX 0.00037 -0.00741 0.01168 0.00102 -0.05952 33 6PY 0.00387 -0.00050 -0.00560 0.00664 -0.02523 34 6PZ 0.00883 0.00614 -0.02728 -0.01198 -0.03282 35 7D 0 -0.01218 -0.00356 0.00015 0.04728 0.00588 36 7D+1 -0.00029 0.00220 0.04244 0.00225 -0.11780 37 7D-1 0.00312 0.03004 -0.10834 -0.04579 -0.01629 38 7D+2 -0.01102 -0.02712 0.10202 0.03405 0.02467 39 7D-2 -0.00661 -0.02478 0.05542 0.01905 -0.11213 40 8D 0 -0.00372 -0.00176 0.00118 0.01552 0.00286 41 8D+1 0.00041 -0.00016 0.01404 0.00075 -0.03946 42 8D-1 -0.00097 0.00977 -0.03722 -0.01565 -0.00558 43 8D+2 -0.00225 -0.00853 0.03551 0.01175 0.00908 44 8D-2 -0.00147 -0.01018 0.01874 0.00615 -0.03832 45 3 Cu 1S 0.00337 -0.00419 0.00282 0.00420 -0.00511 46 2S 0.03607 0.06786 -0.02479 -0.05055 -0.02716 47 3S 0.01736 -0.01346 0.01483 0.01616 -0.14803 48 4PX 0.00305 0.00055 0.00338 -0.01668 0.01696 49 4PY 0.00013 0.00742 -0.02138 -0.00402 -0.02054 50 4PZ 0.00263 -0.00985 -0.00183 -0.00191 0.01868 51 5PX -0.01255 0.00921 -0.00264 0.00361 0.03915 52 5PY 0.00385 -0.00598 0.01938 0.00310 -0.00349 53 5PZ 0.00178 0.00256 -0.00319 0.01832 -0.02795 54 6PX 0.00670 0.01406 -0.01129 -0.01159 -0.03761 55 6PY -0.00639 -0.00755 0.03074 0.00785 0.02114 56 6PZ 0.00098 -0.00355 -0.00032 0.01539 -0.04442 57 7D 0 0.00462 0.04220 -0.00778 -0.06716 -0.06554 58 7D+1 -0.02360 -0.08313 0.02324 0.11789 0.05935 59 7D-1 0.00136 0.04512 -0.01155 0.00262 -0.00131 60 7D+2 0.00964 0.03462 -0.02728 -0.03695 -0.01086 61 7D-2 -0.00323 -0.01627 0.04701 0.03497 0.04024 62 8D 0 -0.00012 0.01300 -0.00184 -0.02256 -0.02170 63 8D+1 -0.00628 -0.02817 0.00756 0.04023 0.02229 64 8D-1 0.00090 0.01481 -0.00404 0.00186 -0.00011 65 8D+2 0.00303 0.01266 -0.00958 -0.01271 -0.00487 66 8D-2 -0.00116 -0.00523 0.01641 0.01118 0.01256 67 4 Cu 1S 0.00407 0.00092 0.00427 0.00546 0.00461 68 2S 0.04523 -0.02781 -0.03973 -0.06654 0.04044 69 3S 0.01914 0.00268 0.00959 0.01561 0.18134 70 4PX -0.00276 -0.00790 0.00341 0.01512 0.00071 71 4PY -0.00047 0.00128 -0.02062 0.00134 0.03416 72 4PZ 0.00107 0.00876 0.00299 0.00784 0.00139 73 5PX 0.00679 0.01082 -0.00095 -0.00784 0.02415 74 5PY 0.00767 -0.00004 0.01958 0.00183 0.00728 75 5PZ 0.00825 -0.00287 -0.00453 0.01478 0.04286 76 6PX -0.00160 0.00664 0.00622 0.00471 -0.02273 77 6PY -0.00843 -0.00245 0.03143 0.00943 0.02668 78 6PZ -0.00454 0.00014 0.00066 0.01922 0.02300 79 7D 0 0.02273 -0.02120 -0.02892 -0.13718 0.09994 80 7D+1 0.01564 -0.00826 -0.01369 -0.05783 -0.08351 81 7D-1 0.01304 -0.03393 -0.05924 -0.06324 0.02267 82 7D+2 -0.00061 -0.01491 0.01436 0.01978 -0.00414 83 7D-2 0.00319 0.01491 -0.03917 -0.02864 0.09184 84 8D 0 0.00517 -0.00653 -0.00889 -0.04639 0.03474 85 8D+1 0.00432 -0.00359 -0.00508 -0.02064 -0.02689 86 8D-1 0.00437 -0.01150 -0.02044 -0.02042 0.00768 87 8D+2 -0.00011 -0.00549 0.00464 0.00620 0.00044 88 8D-2 0.00092 0.00476 -0.01399 -0.00973 0.03000 89 5 Cu 1S -0.00018 -0.00301 0.00204 0.00146 -0.01188 90 2S -0.00905 0.08814 -0.05450 0.03874 -0.02422 91 3S 0.00397 -0.04422 0.01651 0.02034 -0.18055 92 4PX 0.00118 0.00293 -0.00092 -0.00283 0.02893 93 4PY -0.00092 0.00055 -0.02278 -0.00081 -0.05033 94 4PZ 0.00145 0.01443 -0.00930 -0.00564 -0.01606 95 5PX -0.00351 0.02225 -0.00267 0.00004 0.04309 96 5PY 0.00464 -0.01159 0.00837 -0.00126 0.00191 97 5PZ -0.00556 -0.01031 0.00540 0.00816 0.01754 98 6PX -0.00664 0.01117 -0.00476 -0.00168 0.00921 99 6PY 0.00234 -0.00891 -0.00206 -0.00109 -0.04585 100 6PZ 0.00479 0.00090 0.00200 -0.00066 -0.06931 101 7D 0 0.00392 -0.10115 0.03369 0.00252 0.00151 102 7D+1 0.01281 0.01362 0.03034 -0.06309 -0.04721 103 7D-1 -0.00471 0.00665 0.03838 0.02261 0.11255 104 7D+2 -0.00635 0.05382 -0.12868 0.02341 -0.10176 105 7D-2 0.00657 -0.15007 -0.00343 -0.00204 -0.00232 106 8D 0 0.00043 -0.03355 0.01103 0.00082 0.00180 107 8D+1 0.00540 0.00666 0.00920 -0.02081 -0.01827 108 8D-1 -0.00229 0.00186 0.01291 0.00724 0.03712 109 8D+2 -0.00151 0.01891 -0.04323 0.00796 -0.03563 110 8D-2 0.00094 -0.04948 -0.00100 -0.00050 0.00021 111 6 Cu 1S 0.00392 -0.00021 -0.00187 0.00179 0.00015 112 2S 0.02664 -0.01144 0.08144 -0.03175 0.00511 113 3S 0.01931 0.01060 -0.04040 0.00669 0.01581 114 4PX -0.00083 -0.00891 0.00206 0.00280 -0.04537 115 4PY 0.00245 0.00466 -0.01061 -0.01727 -0.00726 116 4PZ 0.00353 -0.00084 -0.00221 -0.00309 -0.03253 117 5PX 0.00216 0.01286 -0.00289 -0.00458 -0.00330 118 5PY -0.01271 -0.00641 0.02635 0.01330 -0.01045 119 5PZ -0.00326 -0.00184 0.00050 0.02081 -0.00388 120 6PX 0.00039 -0.00494 -0.01021 -0.00369 -0.02842 121 6PY 0.00098 -0.00451 0.02154 -0.00399 0.04349 122 6PZ -0.00173 -0.00499 0.01742 0.00944 0.04022 123 7D 0 -0.00254 0.00415 0.08012 -0.00922 0.01445 124 7D+1 0.00095 0.06632 -0.00306 0.00233 0.00785 125 7D-1 -0.02487 -0.00029 -0.08257 0.11869 0.04490 126 7D+2 -0.01461 0.00366 -0.03488 0.06374 -0.05685 127 7D-2 0.00042 -0.03486 -0.00699 -0.00428 0.09525 128 8D 0 -0.00302 0.00183 0.02698 -0.00350 0.00472 129 8D+1 0.00056 0.02281 -0.00113 0.00104 0.00112 130 8D-1 -0.00509 -0.00017 -0.02761 0.04058 0.01409 131 8D+2 -0.00336 0.00128 -0.01261 0.02191 -0.01811 132 8D-2 0.00031 -0.01157 -0.00275 -0.00146 0.03034 133 7 Cu 1S 0.00118 0.00116 0.00338 0.00241 0.01193 134 2S 0.00526 -0.06689 -0.07784 0.01108 0.02043 135 3S 0.01209 0.02641 0.01530 0.03046 0.15758 136 4PX -0.00097 0.00099 0.01218 0.00617 0.00016 137 4PY -0.00070 0.00920 -0.01656 0.00266 0.08092 138 4PZ 0.00205 -0.00593 -0.00949 -0.00773 0.01575 139 5PX 0.00320 0.01240 0.00098 0.00161 0.03978 140 5PY 0.00791 0.01304 0.01209 0.00394 0.01704 141 5PZ -0.00515 0.00940 0.00897 0.01243 -0.00930 142 6PX 0.00363 0.00345 0.00788 0.00412 -0.04106 143 6PY 0.00154 0.01287 -0.00305 0.00344 0.05439 144 6PZ 0.00455 0.00098 -0.00030 0.00127 0.04534 145 7D 0 -0.00994 0.06676 0.02512 0.06718 0.08117 146 7D+1 -0.00778 -0.00976 -0.09409 0.03421 0.20603 147 7D-1 -0.00851 -0.07787 -0.02660 0.01443 -0.26902 148 7D+2 -0.00029 0.07671 -0.04297 0.02958 0.14017 149 7D-2 0.00582 -0.09036 -0.11142 -0.04210 0.22146 150 8D 0 -0.00366 0.02290 0.00893 0.02259 0.02447 151 8D+1 -0.00320 -0.00253 -0.03057 0.01170 0.06795 152 8D-1 -0.00358 -0.02514 -0.00840 0.00476 -0.08999 153 8D+2 -0.00075 0.02420 -0.01503 0.00956 0.04684 154 8D-2 0.00200 -0.03054 -0.03798 -0.01419 0.07594 155 8 Cu 1S -0.00161 -0.00158 0.00308 0.00384 0.00399 156 2S -0.01552 -0.04423 0.12994 0.06174 -0.00368 157 3S 0.00272 0.01376 -0.05410 0.03293 0.06772 158 4PX -0.00040 -0.01063 -0.00387 0.00156 -0.10477 159 4PY 0.00182 -0.00102 -0.00209 -0.00979 -0.05362 160 4PZ 0.00071 -0.00534 0.01537 -0.00327 -0.02919 161 5PX 0.00025 0.00353 -0.00463 -0.00129 -0.01093 162 5PY -0.00340 -0.01022 0.03645 0.00792 -0.00713 163 5PZ -0.00706 0.00277 -0.00875 -0.00060 -0.00671 164 6PX 0.00179 -0.00929 -0.00605 -0.00183 -0.08069 165 6PY -0.00693 -0.00735 0.01307 -0.00041 -0.03690 166 6PZ 0.00174 -0.00511 0.01477 0.00240 0.02268 167 7D 0 0.01249 0.03029 -0.12315 -0.04620 0.07172 168 7D+1 -0.00424 0.00086 -0.01549 0.01812 0.18817 169 7D-1 0.01215 -0.03083 0.03706 -0.07999 0.00191 170 7D+2 0.01158 0.14835 -0.16940 -0.07145 0.18475 171 7D-2 0.00740 -0.11936 -0.13610 -0.06125 -0.43008 172 8D 0 0.00345 0.00938 -0.03998 -0.01461 0.02335 173 8D+1 -0.00174 0.00016 -0.00657 0.00544 0.06259 174 8D-1 0.00627 -0.01090 0.01420 -0.02622 0.00114 175 8D+2 0.00309 0.04963 -0.05720 -0.02383 0.06074 176 8D-2 0.00208 -0.03927 -0.04646 -0.02050 -0.14303 177 9 C 1S 0.00117 0.00664 -0.02273 -0.00912 -0.01376 178 2S -0.00449 -0.01051 0.03511 0.01453 0.02766 179 3S 0.00703 -0.02259 0.07836 0.02841 0.04206 180 4PX -0.00065 0.01708 0.00089 0.00521 -0.04643 181 4PY 0.00071 0.00440 0.00761 -0.01727 0.05403 182 4PZ -0.00731 -0.00087 0.00755 0.00788 0.00128 183 5PX -0.00110 0.01470 -0.00598 -0.00257 -0.00328 184 5PY 0.00387 -0.00620 0.02936 0.01181 0.00088 185 5PZ 0.00029 -0.00407 0.01606 0.01585 -0.00938 186 10 O 1S -0.00038 -0.00279 0.00842 0.00425 -0.01319 187 2S 0.00106 0.00654 -0.02044 -0.00963 0.02401 188 3S 0.00122 0.00829 -0.02443 -0.01579 0.03118 189 4PX 0.00075 -0.02149 -0.00712 -0.00900 -0.08890 190 4PY -0.00106 -0.01180 0.01111 0.03153 -0.05678 191 4PZ 0.00650 -0.00421 0.00281 -0.00873 -0.05553 192 5PX 0.00086 -0.01589 -0.00168 -0.00243 -0.04078 193 5PY -0.00234 -0.00316 -0.00404 0.00666 -0.01728 194 5PZ 0.00281 -0.00045 -0.00391 -0.01128 -0.01698 11 12 13 14 15 11 6PY 0.50714 12 6PZ 0.06804 0.15649 13 7D 0 -0.00470 0.10385 1.51005 14 7D+1 0.02283 -0.02695 -0.00362 1.50002 15 7D-1 0.07577 0.01959 0.00112 0.00921 1.48315 16 7D+2 -0.02746 -0.10806 -0.00682 -0.00841 0.01345 17 7D-2 0.02335 -0.02685 -0.00086 0.00378 0.01172 18 8D 0 -0.00114 0.03429 0.48560 -0.00125 0.00006 19 8D+1 0.00741 -0.00912 -0.00147 0.48160 0.00134 20 8D-1 0.02823 0.00852 0.00047 0.00125 0.48028 21 8D+2 -0.00620 -0.03707 -0.00134 -0.00081 0.00185 22 8D-2 0.00840 -0.00927 0.00049 0.00192 0.00287 23 2 Cu 1S 0.00716 0.00705 0.00067 0.00010 -0.00262 24 2S 0.01331 0.08431 -0.01972 -0.01550 0.02899 25 3S 0.28563 0.16243 -0.09777 -0.05224 0.16922 26 4PX 0.00050 0.00825 -0.00233 -0.00131 0.00399 27 4PY 0.00505 -0.01609 0.00730 0.00622 -0.02171 28 4PZ 0.02785 0.00082 0.00525 -0.00049 0.00741 29 5PX -0.01210 -0.01226 0.02705 0.04099 -0.01227 30 5PY 0.09576 0.10875 -0.08582 -0.02530 0.13079 31 5PZ -0.00391 0.02974 -0.00109 -0.00470 -0.00964 32 6PX -0.02436 -0.01955 -0.01168 -0.04101 -0.00702 33 6PY 0.06550 0.01641 -0.03029 0.00025 0.00698 34 6PZ 0.06485 0.01127 0.03903 -0.01885 -0.01633 35 7D 0 -0.09711 -0.02763 0.00904 -0.00847 0.02267 36 7D+1 0.03504 -0.00551 -0.00898 -0.01268 -0.00194 37 7D-1 -0.03295 -0.05330 0.02741 -0.00652 0.00944 38 7D+2 0.04575 -0.01486 0.01564 -0.01594 0.01613 39 7D-2 0.00716 -0.01706 0.00923 0.02065 0.01626 40 8D 0 -0.03600 -0.01192 -0.00001 -0.00083 0.00019 41 8D+1 0.01211 -0.00120 -0.00227 -0.00491 0.00119 42 8D-1 -0.01016 -0.01740 0.00757 -0.00139 -0.00159 43 8D+2 0.01194 -0.00578 0.00321 -0.00359 0.00276 44 8D-2 0.00091 -0.00624 0.00204 0.00572 0.00372 45 3 Cu 1S -0.00006 -0.00621 -0.00318 -0.00054 -0.00024 46 2S -0.01274 0.04946 -0.01451 -0.04419 0.00765 47 3S -0.08200 -0.02140 0.03717 -0.26799 0.00706 48 4PX -0.01528 0.00905 0.01444 -0.01465 0.00005 49 4PY -0.00283 -0.00824 -0.00068 0.00103 0.01199 50 4PZ -0.03005 0.00690 -0.00580 0.01943 -0.00017 51 5PX 0.00723 -0.00398 -0.02639 0.09420 -0.00032 52 5PY 0.00824 0.00158 -0.01860 -0.00046 0.01149 53 5PZ -0.00992 0.02424 0.04366 -0.08906 0.00168 54 6PX 0.06091 -0.00211 0.00451 0.01091 0.00654 55 6PY -0.08071 -0.01138 -0.01840 -0.00094 0.01215 56 6PZ 0.02576 0.00534 0.00465 -0.02447 0.00830 57 7D 0 -0.10208 -0.05054 0.02473 0.01509 0.00109 58 7D+1 -0.07253 -0.04145 0.02369 -0.04024 0.00353 59 7D-1 0.03482 -0.03306 -0.00395 0.00473 0.02018 60 7D+2 -0.02726 -0.03239 -0.03592 -0.00119 -0.00062 61 7D-2 0.08066 0.07985 0.00458 0.00239 -0.04665 62 8D 0 -0.03413 -0.01746 0.00353 0.00317 0.00142 63 8D+1 -0.02575 -0.01434 0.00503 -0.00830 0.00019 64 8D-1 0.01203 -0.01153 -0.00490 0.00204 0.00363 65 8D+2 -0.01035 -0.01024 -0.00818 -0.00300 0.00114 66 8D-2 0.02679 0.02546 0.00161 0.00076 -0.01412 67 4 Cu 1S 0.00140 -0.00430 -0.00226 0.00260 -0.00074 68 2S 0.01372 0.06603 0.01225 0.04371 0.01216 69 3S -0.02049 0.03943 0.17864 0.19687 0.09632 70 4PX 0.02677 -0.00508 -0.01046 0.00541 -0.00599 71 4PY 0.01275 -0.00131 -0.00878 -0.00689 0.01047 72 4PZ -0.02296 0.00232 -0.02167 -0.01377 -0.00907 73 5PX 0.00380 0.00208 0.03966 0.02998 0.02224 74 5PY 0.00846 0.00492 0.00524 0.02774 0.02012 75 5PZ 0.00469 0.04013 0.10922 0.07020 0.03748 76 6PX -0.02572 -0.00654 0.00854 0.00702 -0.01402 77 6PY -0.09412 -0.00854 -0.01047 0.01280 0.01340 78 6PZ 0.00331 0.01129 0.01387 0.01677 0.01169 79 7D 0 -0.01415 0.02068 -0.01635 -0.03152 -0.02243 80 7D+1 0.09462 0.05569 -0.03718 0.02100 -0.01797 81 7D-1 0.05455 -0.02760 -0.02932 -0.01573 0.03291 82 7D+2 -0.00664 -0.00300 -0.00529 0.02107 -0.02119 83 7D-2 -0.09504 -0.05784 -0.01450 0.00601 0.02745 84 8D 0 -0.00370 0.00736 -0.00403 -0.00593 -0.00360 85 8D+1 0.03331 0.02000 -0.00537 0.00477 -0.00343 86 8D-1 0.01855 -0.00894 -0.00968 -0.00239 0.00763 87 8D+2 -0.00309 -0.00113 -0.00091 0.00614 -0.00541 88 8D-2 -0.03255 -0.01819 -0.00235 0.00053 0.00968 89 5 Cu 1S -0.00193 -0.00634 0.00087 0.00479 -0.00239 90 2S 0.01926 0.06246 -0.00327 0.06087 -0.02718 91 3S 0.04093 -0.02284 -0.10151 0.12364 -0.06067 92 4PX 0.00924 0.00351 -0.01277 0.00824 -0.00650 93 4PY -0.04011 -0.00585 0.00646 -0.00539 -0.00142 94 4PZ 0.01312 0.01482 -0.01078 -0.01398 0.00725 95 5PX -0.00759 -0.00626 0.05048 -0.03589 0.03158 96 5PY -0.00212 0.00547 -0.03769 0.03120 0.01874 97 5PZ 0.00632 0.01434 0.05067 0.02761 -0.01158 98 6PX -0.03052 0.00625 0.02303 -0.01939 -0.00480 99 6PY -0.05581 -0.00582 0.00509 -0.02888 -0.02374 100 6PZ 0.02721 -0.02841 -0.02233 -0.04122 0.00908 101 7D 0 -0.09263 0.06635 -0.01208 0.02335 -0.01692 102 7D+1 0.13683 0.00585 0.01925 0.03909 -0.02392 103 7D-1 0.31937 0.10552 -0.00906 -0.02433 -0.01014 104 7D+2 -0.28328 -0.03769 0.00598 -0.00528 0.00934 105 7D-2 -0.12092 0.06204 -0.00187 0.01226 0.00410 106 8D 0 -0.03057 0.02235 -0.00309 0.00679 -0.00510 107 8D+1 0.04598 0.00191 0.00118 0.00680 -0.00568 108 8D-1 0.10696 0.03591 0.00002 -0.00479 -0.00222 109 8D+2 -0.09355 -0.01254 0.00409 -0.00103 -0.00070 110 8D-2 -0.03941 0.02077 -0.00057 0.00209 -0.00239 111 6 Cu 1S -0.00599 -0.00343 -0.00397 0.00121 0.00057 112 2S -0.06449 0.04877 -0.02011 0.01648 -0.06136 113 3S -0.08037 0.03012 -0.05112 0.02668 -0.22551 114 4PX -0.01975 -0.01423 0.00057 0.01048 0.00102 115 4PY 0.01557 -0.00576 0.01491 0.00119 -0.02512 116 4PZ 0.04459 0.02849 0.00004 0.00156 0.01677 117 5PX -0.00115 -0.00828 -0.00497 -0.01229 -0.00314 118 5PY 0.01323 0.00341 -0.01580 -0.01160 0.11114 119 5PZ -0.00748 0.02693 0.00943 -0.00299 -0.06602 120 6PX 0.05018 0.02310 0.01214 0.01308 0.01106 121 6PY -0.12692 -0.05922 0.00652 0.01565 -0.01511 122 6PZ -0.11309 -0.04399 -0.01432 0.01651 -0.02817 123 7D 0 -0.09538 0.01937 0.03436 0.00068 -0.00662 124 7D+1 0.07625 0.00724 -0.00361 0.01034 0.00548 125 7D-1 -0.00364 -0.02101 0.01157 -0.00296 -0.04367 126 7D+2 0.11271 0.03210 0.03851 0.00305 -0.01014 127 7D-2 0.06930 0.04477 -0.00187 -0.04363 0.00119 128 8D 0 -0.03255 0.00678 0.00654 -0.00047 -0.00149 129 8D+1 0.02624 0.00191 -0.00233 -0.00079 0.00234 130 8D-1 -0.00147 -0.00728 0.00433 -0.00184 -0.01184 131 8D+2 0.04025 0.01074 0.00798 0.00138 -0.00014 132 8D-2 0.02406 0.01456 -0.00123 -0.00990 0.00090 133 7 Cu 1S 0.00031 -0.00244 -0.00164 -0.00237 -0.00440 134 2S 0.04852 0.07477 -0.02949 -0.02187 -0.03406 135 3S 0.07160 0.03072 -0.15379 0.00948 -0.03056 136 4PX -0.00043 -0.00571 0.01083 -0.00495 -0.00642 137 4PY -0.02981 0.01401 0.01018 -0.00820 -0.00452 138 4PZ 0.01368 0.01701 0.00268 0.01210 0.01110 139 5PX 0.01959 0.01304 -0.04451 0.02700 0.00631 140 5PY 0.00450 0.01119 -0.06369 0.01770 0.01739 141 5PZ 0.00383 0.01298 0.00848 -0.03849 -0.02882 142 6PX 0.02596 -0.00889 -0.03030 -0.01745 -0.00760 143 6PY -0.04074 0.01217 0.00228 0.01042 -0.00852 144 6PZ 0.04409 -0.00701 -0.01285 0.03967 0.02818 145 7D 0 -0.20606 0.04934 -0.01571 0.00926 0.00921 146 7D+1 -0.21224 -0.03602 0.01315 0.01642 0.03868 147 7D-1 0.21092 -0.00941 0.01376 0.03657 0.00976 148 7D+2 -0.16804 0.07238 0.00383 0.00829 -0.01176 149 7D-2 -0.10300 -0.04204 0.00396 -0.01533 -0.01351 150 8D 0 -0.06953 0.01564 -0.00358 -0.00081 0.00076 151 8D+1 -0.07166 -0.01268 0.00447 0.00108 0.00724 152 8D-1 0.07011 -0.00265 0.00488 0.00537 0.00144 153 8D+2 -0.05373 0.02471 0.00273 0.00294 -0.00500 154 8D-2 -0.03337 -0.01343 0.00078 -0.00455 -0.00336 155 8 Cu 1S -0.01108 0.00126 0.00196 0.00017 0.00199 156 2S -0.04708 0.06458 -0.00974 -0.02027 0.07825 157 3S -0.15401 0.05967 -0.06018 -0.00983 0.14805 158 4PX -0.02534 -0.01655 0.00377 -0.00340 -0.00620 159 4PY 0.08919 -0.01064 -0.01094 -0.00672 0.01602 160 4PZ 0.00333 0.00566 -0.01380 0.00465 -0.01268 161 5PX -0.00631 0.00399 -0.01100 0.01395 0.02231 162 5PY 0.00138 -0.02779 0.03271 0.01380 -0.04809 163 5PZ 0.01628 0.00067 0.04923 -0.01770 0.02425 164 6PX 0.00089 -0.00872 -0.00791 -0.03144 -0.00367 165 6PY 0.03309 0.01961 0.02507 -0.01750 -0.01017 166 6PZ -0.10666 -0.06098 -0.03107 0.01805 -0.04611 167 7D 0 -0.11300 0.06550 -0.00262 -0.01354 0.03588 168 7D+1 0.11110 0.02757 -0.01139 -0.01139 -0.01702 169 7D-1 -0.03192 -0.09340 0.02544 -0.01354 0.03625 170 7D+2 0.17475 -0.01140 0.00089 -0.01432 0.01510 171 7D-2 0.05044 -0.07829 0.00116 0.01086 0.01468 172 8D 0 -0.03769 0.02259 -0.00127 -0.00390 0.01101 173 8D+1 0.03809 0.00889 -0.00202 -0.00085 -0.00377 174 8D-1 -0.01193 -0.03094 0.00288 -0.00120 0.00702 175 8D+2 0.06035 -0.00371 -0.00352 -0.00308 0.00583 176 8D-2 0.01853 -0.02602 -0.00185 0.00042 0.00354 177 9 C 1S 0.03839 0.02227 -0.00150 -0.00108 0.00126 178 2S -0.06745 -0.05375 0.00646 0.00372 -0.00625 179 3S -0.14854 -0.06140 -0.02039 -0.00569 0.03274 180 4PX 0.04052 0.00964 -0.00008 0.00530 0.00582 181 4PY -0.21045 -0.07506 0.00137 0.00478 0.00091 182 4PZ -0.05619 -0.01915 0.01270 0.00260 -0.01963 183 5PX -0.00288 -0.00136 0.00279 0.00114 -0.00197 184 5PY -0.01111 -0.00855 -0.01335 -0.00131 0.00767 185 5PZ 0.01661 0.01012 -0.00181 -0.00366 0.01178 186 10 O 1S 0.05425 0.00081 0.00027 0.00016 0.00000 187 2S -0.10022 0.00163 -0.00058 -0.00064 0.00038 188 3S -0.13854 -0.00792 -0.00062 0.00084 -0.00511 189 4PX -0.06405 -0.02809 -0.00058 -0.00487 -0.00378 190 4PY 0.18425 0.03822 0.00122 -0.00230 -0.00596 191 4PZ 0.11693 0.01021 -0.00930 -0.00191 0.01659 192 5PX -0.01695 -0.00938 -0.00096 -0.00289 -0.00136 193 5PY 0.04668 0.01042 0.00445 -0.00083 -0.00557 194 5PZ 0.02764 -0.00368 -0.00501 0.00045 0.00433 16 17 18 19 20 16 7D+2 1.47895 17 7D-2 -0.01184 1.48940 18 8D 0 -0.00072 0.00095 0.15639 19 8D+1 -0.00137 0.00208 -0.00050 0.15486 20 8D-1 0.00256 0.00333 0.00007 -0.00016 0.15580 21 8D+2 0.48276 -0.00258 0.00007 0.00019 0.00000 22 8D-2 -0.00249 0.48576 0.00055 0.00088 0.00076 23 2 Cu 1S -0.00113 0.00017 0.00005 -0.00001 -0.00051 24 2S -0.08069 -0.03724 -0.00576 -0.00516 0.00885 25 3S -0.26682 -0.12999 -0.03340 -0.01833 0.05983 26 4PX -0.00962 0.00574 -0.00013 0.00021 0.00075 27 4PY 0.02099 0.01430 0.00071 0.00169 -0.00482 28 4PZ 0.01365 0.00508 0.00092 -0.00052 0.00485 29 5PX 0.03554 0.02838 0.00902 0.01436 -0.00414 30 5PY -0.17583 -0.09196 -0.02806 -0.00895 0.04482 31 5PZ -0.07489 -0.02342 -0.00011 -0.00176 -0.00284 32 6PX -0.00591 0.03353 -0.00398 -0.01428 -0.00257 33 6PY -0.01099 0.00116 -0.01016 -0.00020 0.00309 34 6PZ -0.01152 0.00824 0.01293 -0.00638 -0.00553 35 7D 0 0.01246 0.01042 -0.00113 -0.00159 0.00301 36 7D+1 -0.01394 0.02317 -0.00216 -0.00548 -0.00028 37 7D-1 0.00549 0.01167 0.00789 -0.00204 0.00204 38 7D+2 0.00384 -0.02032 0.00336 -0.00398 0.00327 39 7D-2 -0.01891 0.02780 0.00217 0.00589 0.00360 40 8D 0 0.00339 0.00326 -0.00140 0.00011 -0.00137 41 8D+1 -0.00274 0.00408 -0.00051 -0.00208 0.00054 42 8D-1 0.00102 0.00261 0.00219 -0.00040 -0.00098 43 8D+2 -0.00006 -0.00366 0.00040 -0.00079 0.00035 44 8D-2 -0.00358 0.00357 0.00034 0.00157 0.00070 45 3 Cu 1S -0.00008 0.00300 -0.00120 0.00012 -0.00032 46 2S 0.00979 0.03068 -0.00519 -0.01457 0.00362 47 3S 0.09050 0.01770 0.01187 -0.09080 0.00201 48 4PX 0.00167 -0.00428 0.00466 -0.00293 0.00007 49 4PY -0.00499 -0.01210 -0.00033 -0.00028 0.00532 50 4PZ -0.01348 -0.00147 0.00077 0.00402 -0.00069 51 5PX -0.03410 0.02131 -0.00812 0.03183 -0.00036 52 5PY 0.00027 0.01733 -0.00622 -0.00030 0.00469 53 5PZ 0.04619 0.01805 0.01476 -0.02958 0.00079 54 6PX -0.02458 0.00019 0.00201 0.00372 0.00246 55 6PY 0.02063 0.00623 -0.00650 -0.00036 0.00400 56 6PZ -0.01853 -0.00048 0.00162 -0.00844 0.00284 57 7D 0 -0.03654 0.00250 0.00407 0.00144 0.00147 58 7D+1 -0.00149 -0.00274 0.00266 -0.00814 -0.00073 59 7D-1 -0.00821 -0.03610 -0.00408 0.00011 0.00339 60 7D+2 -0.00884 0.00348 -0.00782 -0.00163 0.00113 61 7D-2 0.00893 0.01913 0.00091 0.00184 -0.01349 62 8D 0 -0.00873 0.00181 -0.00017 -0.00012 0.00084 63 8D+1 -0.00135 -0.00107 -0.00008 -0.00099 -0.00061 64 8D-1 -0.00405 -0.00727 -0.00255 0.00018 0.00014 65 8D+2 -0.00429 -0.00091 -0.00133 -0.00143 0.00083 66 8D-2 0.00450 0.00369 0.00027 0.00060 -0.00407 67 4 Cu 1S 0.00146 -0.00279 -0.00108 0.00075 -0.00056 68 2S 0.01509 -0.02894 0.00356 0.01428 0.00486 69 3S 0.01650 -0.01034 0.05999 0.06740 0.03225 70 4PX 0.00826 -0.00072 -0.00367 0.00306 -0.00186 71 4PY -0.00610 0.00056 -0.00273 -0.00186 0.00547 72 4PZ -0.00331 -0.00517 -0.00360 -0.00357 -0.00263 73 5PX -0.02042 0.02314 0.01291 0.01074 0.00752 74 5PY 0.00581 -0.00621 0.00156 0.00930 0.00774 75 5PZ 0.01934 0.00849 0.03634 0.02330 0.01246 76 6PX 0.00477 0.01527 0.00263 0.00257 -0.00470 77 6PY 0.02447 0.00107 -0.00393 0.00466 0.00449 78 6PZ -0.00734 -0.01139 0.00468 0.00588 0.00370 79 7D 0 -0.00626 -0.01717 -0.00211 -0.00619 -0.00250 80 7D+1 0.02430 0.00965 -0.00554 0.00231 -0.00361 81 7D-1 -0.02023 0.01290 -0.00731 -0.00211 0.00813 82 7D+2 -0.00773 -0.00236 -0.00210 0.00587 -0.00590 83 7D-2 -0.00767 -0.01742 -0.00259 0.00018 0.00890 84 8D 0 -0.00062 -0.00533 -0.00020 -0.00057 0.00046 85 8D+1 0.00568 0.00385 0.00049 0.00006 -0.00034 86 8D-1 -0.00598 0.00038 -0.00239 0.00023 0.00165 87 8D+2 -0.00399 0.00026 -0.00042 0.00170 -0.00145 88 8D-2 -0.00395 -0.00656 0.00000 -0.00046 0.00315 89 5 Cu 1S 0.00105 0.00328 0.00002 0.00177 -0.00095 90 2S 0.04009 -0.00647 -0.00101 0.01981 -0.00830 91 3S 0.11829 -0.07646 -0.03416 0.04194 -0.02124 92 4PX 0.01417 -0.02545 -0.00059 0.00149 -0.00174 93 4PY -0.02301 -0.00571 0.00049 -0.00151 -0.00031 94 4PZ 0.00206 -0.00393 -0.00367 -0.00496 0.00263 95 5PX -0.06118 0.07798 0.01657 -0.01165 0.01052 96 5PY 0.04895 0.01278 -0.01258 0.01027 0.00619 97 5PZ -0.01712 0.01369 0.01671 0.00822 -0.00373 98 6PX -0.00333 -0.01164 0.00757 -0.00675 -0.00137 99 6PY -0.02282 -0.01434 0.00155 -0.00983 -0.00863 100 6PZ 0.00426 0.00675 -0.00735 -0.01416 0.00309 101 7D 0 0.00377 -0.00832 -0.00115 0.00729 -0.00587 102 7D+1 -0.00041 0.02125 0.00447 0.00504 -0.00458 103 7D-1 0.01846 0.01282 -0.00106 -0.00410 -0.00256 104 7D+2 0.01049 0.04675 0.00290 -0.00110 0.00189 105 7D-2 0.05365 0.01308 -0.00036 0.00438 -0.00077 106 8D 0 0.00236 -0.00476 -0.00006 0.00213 -0.00176 107 8D+1 0.00375 0.00513 -0.00020 -0.00035 -0.00074 108 8D-1 0.00577 0.00406 0.00067 -0.00032 -0.00044 109 8D+2 0.00068 0.00925 0.00165 -0.00014 -0.00060 110 8D-2 0.01516 0.00004 -0.00012 0.00084 -0.00147 111 6 Cu 1S 0.00015 0.00017 -0.00099 0.00032 -0.00023 112 2S -0.01899 0.00885 -0.00744 0.00523 -0.01941 113 3S -0.14588 -0.00706 -0.01841 0.00953 -0.07747 114 4PX 0.00201 -0.01603 -0.00015 0.00353 0.00017 115 4PY -0.00412 -0.00015 0.00354 0.00052 -0.00400 116 4PZ 0.01577 -0.00025 0.00323 -0.00001 0.00099 117 5PX -0.01246 0.04676 -0.00159 -0.00352 -0.00096 118 5PY 0.03289 0.00224 -0.00433 -0.00410 0.03716 119 5PZ -0.04916 0.00506 0.00297 -0.00091 -0.02188 120 6PX -0.02044 -0.03255 0.00406 0.00438 0.00399 121 6PY 0.06755 0.02279 0.00263 0.00529 -0.00583 122 6PZ 0.04610 0.01678 -0.00535 0.00592 -0.01016 123 7D 0 0.03765 0.00554 0.00722 -0.00044 -0.00435 124 7D+1 -0.00179 -0.03565 -0.00252 -0.00190 0.00282 125 7D-1 -0.00764 0.00433 0.00177 -0.00052 -0.01177 126 7D+2 -0.00842 -0.00587 0.00666 0.00167 -0.00213 127 7D-2 -0.00474 0.02622 -0.00087 -0.00859 0.00082 128 8D 0 0.00878 0.00282 0.00079 -0.00038 -0.00119 129 8D+1 -0.00107 -0.00496 -0.00121 -0.00202 0.00109 130 8D-1 -0.00263 0.00126 0.00075 -0.00048 -0.00301 131 8D+2 -0.00194 -0.00117 0.00062 0.00072 0.00033 132 8D-2 0.00010 0.00348 -0.00052 -0.00140 0.00041 133 7 Cu 1S 0.00374 -0.00057 -0.00082 -0.00059 -0.00133 134 2S 0.03651 0.04798 -0.00964 -0.00750 -0.01079 135 3S 0.06353 0.16915 -0.05181 0.00299 -0.01051 136 4PX 0.01338 -0.02225 0.00120 -0.00029 -0.00091 137 4PY -0.01761 -0.02001 0.00094 -0.00117 0.00056 138 4PZ -0.00100 -0.01085 -0.00008 0.00484 0.00470 139 5PX -0.02205 0.09211 -0.01458 0.00884 0.00203 140 5PY 0.04863 0.05626 -0.02113 0.00573 0.00580 141 5PZ 0.00224 0.02623 0.00334 -0.01209 -0.00925 142 6PX 0.02303 0.00255 -0.01024 -0.00614 -0.00278 143 6PY -0.02121 -0.00575 0.00066 0.00369 -0.00349 144 6PZ 0.00703 -0.00888 -0.00403 0.01344 0.00948 145 7D 0 -0.00810 0.01281 -0.00464 -0.00134 -0.00087 146 7D+1 0.00070 -0.01431 0.00114 0.00216 0.00865 147 7D-1 -0.00479 -0.01311 0.00291 0.00656 0.00203 148 7D+2 0.06461 -0.00514 0.00201 0.00130 -0.00362 149 7D-2 -0.01304 -0.03596 0.00218 -0.00320 -0.00104 150 8D 0 -0.00388 0.00506 -0.00101 -0.00173 -0.00106 151 8D+1 -0.00232 -0.00562 0.00038 -0.00067 0.00101 152 8D-1 0.00021 -0.00486 0.00111 -0.00004 0.00011 153 8D+2 0.01343 0.00351 0.00115 0.00049 -0.00154 154 8D-2 -0.00439 -0.01052 0.00056 -0.00087 0.00006 155 8 Cu 1S 0.00580 0.00214 0.00037 -0.00006 0.00077 156 2S -0.02674 -0.03161 -0.00386 -0.00698 0.02599 157 3S 0.01041 -0.04886 -0.01981 -0.00387 0.05012 158 4PX 0.01619 -0.01167 0.00028 -0.00134 -0.00110 159 4PY -0.01913 -0.01901 0.00041 -0.00113 0.00249 160 4PZ -0.00922 -0.00593 -0.00405 0.00166 -0.00455 161 5PX -0.03956 0.04362 -0.00371 0.00419 0.00747 162 5PY 0.02281 0.04571 0.01082 0.00463 -0.01626 163 5PZ 0.00989 0.01593 0.01610 -0.00574 0.00727 164 6PX 0.01238 -0.02671 -0.00268 -0.01077 -0.00117 165 6PY -0.03057 -0.01551 0.00826 -0.00593 -0.00332 166 6PZ 0.04024 0.01871 -0.01040 0.00629 -0.01685 167 7D 0 0.00381 0.00200 0.00075 -0.00321 0.00922 168 7D+1 -0.01797 0.01608 -0.00289 -0.00083 -0.00261 169 7D-1 0.01560 0.01674 0.00454 -0.00140 0.00509 170 7D+2 -0.00439 -0.03793 -0.00153 -0.00384 0.00618 171 7D-2 -0.03684 0.02809 -0.00026 0.00224 0.00482 172 8D 0 -0.00390 -0.00264 0.00014 -0.00087 0.00276 173 8D+1 -0.00419 0.00367 -0.00038 0.00071 -0.00024 174 8D-1 0.00534 0.00390 -0.00032 0.00063 0.00001 175 8D+2 -0.00700 -0.00986 -0.00175 -0.00075 0.00234 176 8D-2 -0.00946 0.00170 -0.00081 -0.00028 0.00120 177 9 C 1S -0.00627 -0.00288 -0.00139 -0.00099 0.00307 178 2S 0.02228 0.01035 0.00391 0.00261 -0.00765 179 3S -0.03275 -0.01798 -0.00519 -0.00109 0.00634 180 4PX -0.00699 0.00016 0.00003 0.00226 0.00225 181 4PY 0.02046 0.00829 0.00047 0.00173 -0.00033 182 4PZ 0.00513 0.00782 0.00475 0.00067 -0.00608 183 5PX 0.00374 0.00867 0.00086 0.00045 -0.00030 184 5PY -0.02100 -0.00857 -0.00429 -0.00009 0.00121 185 5PZ -0.01184 -0.00570 -0.00014 -0.00126 0.00383 186 10 O 1S 0.00119 0.00051 -0.00040 -0.00017 0.00091 187 2S -0.00356 -0.00160 0.00079 0.00021 -0.00158 188 3S -0.00111 0.00018 0.00029 0.00035 -0.00208 189 4PX 0.00331 0.00033 -0.00036 -0.00190 -0.00065 190 4PY -0.00984 -0.00284 0.00123 -0.00005 -0.00434 191 4PZ -0.00042 -0.00488 -0.00311 -0.00022 0.00422 192 5PX 0.00106 -0.00345 -0.00032 -0.00109 -0.00048 193 5PY 0.00114 0.00083 0.00160 -0.00027 -0.00183 194 5PZ 0.00328 -0.00093 -0.00195 0.00028 0.00111 21 22 23 24 25 21 8D+2 0.15786 22 8D-2 -0.00039 0.15869 23 2 Cu 1S -0.00051 -0.00007 1.99591 24 2S -0.02580 -0.01203 -0.00189 0.28169 25 3S -0.09064 -0.04482 0.03843 0.04014 0.75575 26 4PX -0.00287 0.00330 0.00046 0.00203 0.00204 27 4PY 0.00404 0.00337 -0.00281 -0.00995 0.02103 28 4PZ 0.00300 0.00087 0.00056 0.00055 -0.02910 29 5PX 0.01171 0.01032 -0.00629 -0.01642 -0.07469 30 5PY -0.05945 -0.03110 0.02802 0.07230 0.34698 31 5PZ -0.02571 -0.00803 0.00685 0.01695 0.04167 32 6PX -0.00165 0.01102 0.00097 -0.00244 -0.01229 33 6PY -0.00382 0.00013 0.00087 -0.02332 0.07947 34 6PZ -0.00353 0.00277 -0.00544 0.00083 0.01573 35 7D 0 0.00155 0.00221 -0.00085 0.04016 0.10819 36 7D+1 -0.00280 0.00483 -0.00008 0.00909 -0.02053 37 7D-1 0.00224 0.00276 0.00048 -0.06357 -0.09653 38 7D+2 -0.00184 -0.00493 -0.00114 0.05285 -0.01827 39 7D-2 -0.00511 0.00496 -0.00055 0.03130 0.01178 40 8D 0 0.00021 0.00066 0.00042 0.00844 0.03208 41 8D+1 -0.00036 0.00043 0.00047 0.00394 -0.00399 42 8D-1 0.00064 0.00058 -0.00186 -0.01984 -0.03664 43 8D+2 -0.00120 -0.00069 0.00126 0.01531 -0.00303 44 8D-2 -0.00088 -0.00030 0.00081 0.00938 0.00598 45 3 Cu 1S -0.00004 0.00103 -0.00231 -0.00732 -0.00688 46 2S 0.00302 0.01038 -0.00475 0.07349 -0.01573 47 3S 0.03132 0.00615 -0.00731 -0.01360 -0.12790 48 4PX -0.00100 -0.00086 0.00040 0.00615 0.03004 49 4PY -0.00138 -0.00526 0.00122 0.02072 0.01676 50 4PZ -0.00353 -0.00104 -0.00127 -0.01574 -0.02701 51 5PX -0.01156 0.00728 0.00229 -0.00105 0.01440 52 5PY 0.00014 0.00537 0.00459 -0.03346 0.04119 53 5PZ 0.01484 0.00632 -0.00241 0.02169 -0.02208 54 6PX -0.00810 0.00015 0.00089 0.00172 0.04140 55 6PY 0.00673 0.00181 0.00199 -0.00915 -0.01635 56 6PZ -0.00646 0.00022 0.00123 0.00380 0.02849 57 7D 0 -0.00756 0.00051 -0.00192 -0.03170 -0.16330 58 7D+1 -0.00108 0.00021 0.00112 -0.01623 -0.10974 59 7D-1 -0.00323 -0.00798 0.00058 -0.01799 -0.10608 60 7D+2 -0.00443 -0.00047 -0.00115 -0.04130 -0.25898 61 7D-2 0.00452 0.00425 -0.00084 0.02318 0.19839 62 8D 0 -0.00139 0.00049 -0.00064 -0.01087 -0.05432 63 8D+1 -0.00066 0.00003 0.00061 -0.00515 -0.03692 64 8D-1 -0.00151 -0.00108 0.00044 -0.00519 -0.03337 65 8D+2 -0.00193 -0.00082 -0.00037 -0.01306 -0.08677 66 8D-2 0.00202 0.00056 -0.00046 0.00616 0.06615 67 4 Cu 1S 0.00047 -0.00088 -0.00228 -0.00724 -0.00673 68 2S 0.00512 -0.01034 -0.00465 0.07477 -0.00973 69 3S 0.00572 -0.00317 -0.00754 -0.00733 -0.13337 70 4PX 0.00321 0.00025 -0.00030 -0.00696 -0.02296 71 4PY -0.00256 0.00099 0.00108 0.01845 0.00685 72 4PZ -0.00133 -0.00056 -0.00141 -0.01818 -0.03579 73 5PX -0.00681 0.00801 -0.00277 0.00510 -0.02170 74 5PY 0.00178 -0.00196 0.00365 -0.03200 0.03326 75 5PZ 0.00630 0.00222 -0.00330 0.02386 -0.02743 76 6PX 0.00164 0.00538 -0.00106 -0.00285 -0.02934 77 6PY 0.00764 0.00066 0.00165 -0.00649 -0.02899 78 6PZ -0.00251 -0.00432 0.00023 0.00252 0.00174 79 7D 0 -0.00151 -0.00392 -0.00233 -0.01814 -0.07771 80 7D+1 0.00570 0.00321 -0.00034 0.02708 0.16337 81 7D-1 -0.00648 0.00118 0.00043 -0.02159 -0.14888 82 7D+2 -0.00320 0.00002 -0.00113 -0.02539 -0.12047 83 7D-2 -0.00416 -0.00644 -0.00015 -0.04090 -0.29717 84 8D 0 -0.00002 -0.00118 -0.00094 -0.00638 -0.02578 85 8D+1 0.00110 0.00128 -0.00038 0.00874 0.05409 86 8D-1 -0.00189 -0.00092 0.00034 -0.00589 -0.04790 87 8D+2 -0.00152 0.00033 -0.00039 -0.00872 -0.04019 88 8D-2 -0.00186 -0.00239 0.00005 -0.01226 -0.09986 89 5 Cu 1S 0.00112 0.00060 -0.00268 -0.00657 -0.00569 90 2S 0.01289 -0.00189 -0.00356 0.13737 -0.01042 91 3S 0.04124 -0.02728 -0.00490 0.06814 -0.10013 92 4PX -0.00074 -0.00343 0.00085 0.01598 0.04969 93 4PY -0.00503 -0.00442 -0.00052 0.00462 0.01771 94 4PZ 0.00081 -0.00144 0.00068 0.01166 0.01801 95 5PX -0.02054 0.02601 0.00274 -0.02561 0.01693 96 5PY 0.01569 0.00386 0.00215 -0.01382 0.02141 97 5PZ -0.00595 0.00472 0.00121 -0.01250 0.02708 98 6PX -0.00124 -0.00420 0.00061 -0.00490 0.01071 99 6PY -0.00799 -0.00521 -0.00049 0.00887 -0.00366 100 6PZ 0.00202 0.00220 0.00139 -0.01211 0.02540 101 7D 0 0.00065 -0.00220 0.00012 -0.01314 -0.09830 102 7D+1 0.00256 0.00618 -0.00090 0.03463 0.22397 103 7D-1 0.00559 0.00334 0.00103 0.04028 0.20838 104 7D+2 0.00181 0.00890 -0.00201 -0.00476 -0.02815 105 7D-2 0.01255 0.00380 0.00179 0.04590 0.17141 106 8D 0 0.00057 -0.00138 0.00006 -0.00415 -0.03269 107 8D+1 0.00215 0.00140 0.00001 0.01243 0.07564 108 8D-1 0.00171 0.00104 0.00080 0.01327 0.07058 109 8D+2 -0.00027 0.00089 -0.00089 -0.00104 -0.00951 110 8D-2 0.00329 -0.00010 0.00093 0.01472 0.05728 111 6 Cu 1S -0.00028 0.00002 0.00118 0.00035 0.00062 112 2S -0.00810 0.00208 -0.00087 -0.07425 -0.01558 113 3S -0.05045 -0.00238 -0.00071 0.02422 0.04687 114 4PX 0.00054 -0.00579 0.00027 -0.00154 0.00146 115 4PY 0.00153 0.00025 -0.00253 0.00205 -0.02025 116 4PZ 0.00338 -0.00006 0.00054 0.00439 0.02202 117 5PX -0.00431 0.01566 -0.00010 0.00358 -0.00540 118 5PY 0.01128 0.00087 0.00070 -0.01427 0.02507 119 5PZ -0.01668 0.00160 0.00002 -0.00135 0.00435 120 6PX -0.00675 -0.01128 0.00128 0.01864 0.05526 121 6PY 0.02235 0.00786 -0.00442 -0.05873 -0.16720 122 6PZ 0.01557 0.00600 -0.00150 -0.02376 -0.09660 123 7D 0 0.00826 0.00315 0.00070 0.01623 0.04835 124 7D+1 -0.00130 -0.00525 -0.00005 -0.00834 0.00766 125 7D-1 -0.00078 0.00245 0.00161 0.01629 0.02314 126 7D+2 -0.00135 -0.00135 0.00210 0.00820 0.14802 127 7D-2 -0.00089 0.00468 0.00053 -0.00076 0.04838 128 8D 0 0.00150 0.00137 0.00007 0.00591 0.01747 129 8D+1 -0.00059 0.00055 0.00004 -0.00225 0.00321 130 8D-1 -0.00027 0.00077 0.00046 0.00572 0.00755 131 8D+2 -0.00010 -0.00018 0.00057 0.00590 0.05414 132 8D-2 0.00028 -0.00015 0.00015 0.00095 0.01799 133 7 Cu 1S 0.00139 0.00069 -0.00264 -0.00633 -0.00568 134 2S 0.01202 0.01497 -0.00346 0.13901 0.00057 135 3S 0.02102 0.05867 -0.00604 0.07951 -0.11171 136 4PX 0.00506 -0.00216 -0.00083 -0.01957 -0.05624 137 4PY -0.00559 -0.00115 -0.00065 -0.00116 -0.00476 138 4PZ -0.00023 -0.00127 0.00045 0.00552 -0.00246 139 5PX -0.00693 0.03083 -0.00360 0.03292 -0.03161 140 5PY 0.01555 0.01860 0.00089 -0.00250 0.01213 141 5PZ 0.00050 0.00830 0.00001 -0.00215 0.01675 142 6PX 0.00827 0.00063 -0.00078 0.00165 -0.01754 143 6PY -0.00781 -0.00176 -0.00095 0.01721 -0.01352 144 6PZ 0.00264 -0.00283 0.00068 -0.00464 0.01487 145 7D 0 -0.00330 0.00394 0.00036 -0.03357 -0.22278 146 7D+1 -0.00190 -0.00364 0.00010 -0.02218 -0.14707 147 7D-1 -0.00059 -0.00201 0.00028 0.01209 0.07752 148 7D+2 0.01459 0.00027 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7D+1 -0.00325 0.00261 -0.00017 -0.00355 0.01278 169 7D-1 0.00302 0.00321 0.00008 -0.01054 -0.04479 170 7D+2 -0.00170 -0.00801 0.00114 0.01895 -0.08653 171 7D-2 -0.00686 0.00389 0.00070 0.01154 -0.03212 172 8D 0 -0.00166 -0.00125 0.00060 0.00849 -0.02041 173 8D+1 -0.00045 0.00028 -0.00005 -0.00030 0.00452 174 8D-1 0.00103 0.00050 0.00008 -0.00429 -0.01450 175 8D+2 -0.00236 -0.00175 0.00065 0.00774 -0.02583 176 8D-2 -0.00136 -0.00120 0.00042 0.00500 -0.00924 177 9 C 1S -0.00415 -0.00221 0.00839 -0.04491 0.13121 178 2S 0.01174 0.00611 -0.01502 0.09958 -0.28294 179 3S -0.00881 -0.00431 -0.00144 0.12275 -0.23873 180 4PX -0.00260 0.00096 0.00205 -0.03268 0.04826 181 4PY 0.00613 0.00285 -0.00825 0.12075 -0.18717 182 4PZ 0.00138 0.00259 -0.00326 0.05725 -0.08586 183 5PX 0.00093 0.00313 -0.00341 -0.00398 -0.00360 184 5PY -0.00654 -0.00233 0.01191 0.00881 -0.00115 185 5PZ -0.00363 -0.00169 0.00703 0.01313 0.01893 186 10 O 1S -0.00061 -0.00041 -0.00264 0.00342 0.01310 187 2S 0.00081 0.00060 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-0.00604 0.02915 178 2S -0.01525 0.06072 0.02331 0.02224 -0.09803 179 3S -0.02259 0.09038 0.03548 0.01998 -0.08897 180 4PX -0.01561 -0.01985 -0.00886 0.05085 0.04203 181 4PY -0.01992 0.05960 0.03027 0.04228 -0.11666 182 4PZ -0.00912 0.03115 -0.00254 0.01974 -0.05998 183 5PX -0.01818 -0.00376 -0.00151 0.01138 -0.00148 184 5PY -0.00346 -0.00278 0.00316 0.00139 0.00451 185 5PZ -0.00182 0.00500 -0.01450 -0.00247 0.01356 186 10 O 1S -0.00158 0.00614 0.00258 -0.00153 0.00625 187 2S 0.00393 -0.01533 -0.00628 0.00172 -0.00720 188 3S 0.00577 -0.02202 -0.00989 0.00562 -0.01970 189 4PX 0.00081 0.00887 0.00447 -0.04618 -0.02871 190 4PY 0.00899 -0.03384 -0.01310 -0.02992 0.06828 191 4PZ 0.00447 -0.01281 -0.00768 -0.01441 0.03937 192 5PX 0.00856 0.00353 0.00183 -0.02939 -0.00922 193 5PY 0.00346 -0.00609 -0.00396 -0.01052 0.01356 194 5PZ 0.00194 -0.00445 0.00383 -0.00432 0.00731 31 32 33 34 35 31 5PZ 0.09030 32 6PX -0.00786 0.05591 33 6PY 0.00656 0.00135 0.02943 34 6PZ -0.00414 -0.00065 0.01708 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65 8D+2 0.01753 -0.00644 0.00825 0.02130 -0.00819 66 8D-2 -0.00184 0.03138 0.00684 -0.00468 0.03034 67 4 Cu 1S 0.00330 0.00057 0.00022 0.00146 -0.00064 68 2S -0.05799 0.00292 -0.04547 0.00079 -0.00836 69 3S 0.03521 0.00111 -0.01145 0.01503 0.00324 70 4PX 0.00433 0.00070 0.00341 0.00038 -0.00898 71 4PY 0.00261 -0.00427 0.00423 -0.00919 0.01230 72 4PZ 0.00865 0.00298 -0.00131 0.00198 0.00128 73 5PX 0.01324 0.00331 -0.00117 0.02196 -0.00329 74 5PY 0.00050 0.00777 -0.00468 0.00683 0.00288 75 5PZ 0.00343 -0.00388 0.01223 -0.00280 -0.00479 76 6PX 0.01775 0.00070 0.00748 0.00675 0.00125 77 6PY 0.01023 0.00366 0.00097 -0.01135 0.02470 78 6PZ 0.00656 -0.00258 0.00631 -0.00511 0.00203 79 7D 0 0.08322 0.01911 -0.00715 0.00250 0.01041 80 7D+1 -0.03455 0.00332 0.04999 0.02970 -0.03642 81 7D-1 -0.00595 -0.03037 0.00854 0.00239 -0.01564 82 7D+2 -0.13470 -0.03047 -0.01629 -0.03022 0.01095 83 7D-2 -0.04758 0.01413 0.00145 -0.02021 -0.01039 84 8D 0 0.02777 0.00653 -0.00265 0.00101 0.00348 85 8D+1 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65 8D+2 0.00887 -0.00335 -0.00356 -0.00224 0.49166 66 8D-2 0.00426 0.00131 0.00071 -0.00040 0.00097 67 4 Cu 1S 0.00134 0.00102 0.00454 -0.00082 0.00053 68 2S -0.02087 0.00869 0.04731 0.00487 0.03971 69 3S -0.01482 -0.09074 0.17800 0.02007 0.28328 70 4PX -0.00754 0.01506 -0.00987 -0.00541 -0.02507 71 4PY -0.00473 0.00165 -0.00257 0.00605 -0.01183 72 4PZ 0.00885 0.01009 0.01221 0.00111 -0.00542 73 5PX 0.00070 -0.05571 0.07422 0.02870 0.11440 74 5PY -0.00199 -0.01032 0.01640 -0.03129 0.02843 75 5PZ 0.00206 -0.06000 -0.01316 -0.00275 0.04667 76 6PX 0.00760 0.00121 0.01151 0.01711 0.01107 77 6PY -0.00067 0.03214 0.02852 0.00683 -0.00568 78 6PZ -0.00517 0.00509 0.03202 -0.03170 0.03907 79 7D 0 -0.00384 -0.01382 0.02462 0.00272 0.00509 80 7D+1 0.00954 0.02521 0.04718 0.00731 -0.01935 81 7D-1 -0.03866 0.00351 0.01238 -0.01225 -0.01503 82 7D+2 0.03099 0.00962 -0.01130 -0.01250 -0.02295 83 7D-2 0.02103 0.00018 -0.00849 0.00770 -0.02777 84 8D 0 -0.00166 -0.00465 0.00573 0.00025 0.00207 85 8D+1 0.00373 0.00210 0.00897 0.00121 -0.00119 86 8D-1 -0.01301 -0.00010 0.00348 -0.00384 -0.00527 87 8D+2 0.01010 0.00274 -0.00168 -0.00248 -0.00736 88 8D-2 0.00704 -0.00031 -0.00215 -0.00234 -0.00432 89 5 Cu 1S -0.00010 -0.00039 0.00547 0.00077 0.00154 90 2S 0.00038 0.01411 0.05887 -0.00443 0.02064 91 3S -0.00307 0.17320 0.20991 -0.09878 0.06466 92 4PX -0.00308 0.01029 -0.01081 -0.00491 -0.00592 93 4PY 0.00197 -0.01711 -0.00613 -0.00693 -0.00465 94 4PZ 0.01423 0.01806 0.01179 -0.01736 -0.00295 95 5PX 0.00349 -0.05657 0.00428 0.02250 0.01961 96 5PY -0.00395 0.04860 0.03738 0.00990 -0.00708 97 5PZ 0.01230 -0.09014 -0.06720 0.07225 -0.00547 98 6PX -0.00683 0.02409 -0.03850 -0.00750 -0.02738 99 6PY 0.00224 0.01509 -0.00224 0.00360 -0.00160 100 6PZ 0.01085 -0.00336 -0.02386 0.01702 -0.00154 101 7D 0 -0.00893 -0.00460 -0.02440 0.03103 0.00892 102 7D+1 -0.01428 -0.02274 0.03529 0.02075 0.01874 103 7D-1 -0.00892 0.03792 0.01523 0.01998 0.01972 104 7D+2 0.01434 0.00430 0.01855 0.01437 -0.00284 105 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5PY -0.00059 -0.00259 0.00314 0.00050 0.00342 194 5PZ -0.00041 0.00290 -0.00243 0.00118 -0.00099 166 167 168 169 170 166 6PZ 0.04964 167 7D 0 0.06604 1.48357 168 7D+1 -0.04813 0.00575 1.50625 169 7D-1 0.06275 0.00171 0.00341 1.49827 170 7D+2 -0.05609 -0.01480 0.00412 0.00903 1.50046 171 7D-2 -0.02831 -0.00982 -0.00381 0.00629 -0.00511 172 8D 0 0.02213 0.49770 0.00110 0.00032 -0.00379 173 8D+1 -0.01645 0.00099 0.50286 0.00019 0.00035 174 8D-1 0.02161 0.00094 0.00060 0.50168 0.00266 175 8D+2 -0.01924 -0.00360 0.00029 0.00110 0.49776 176 8D-2 -0.00995 -0.00246 -0.00052 -0.00006 -0.00096 177 9 C 1S -0.01822 0.00311 -0.00021 -0.00148 0.00275 178 2S 0.03876 -0.00473 0.00127 0.00333 -0.00067 179 3S 0.05418 -0.03291 -0.00201 0.00162 -0.05099 180 4PX -0.01276 0.00291 0.00510 0.00180 -0.00458 181 4PY 0.05507 -0.00941 0.00250 0.00220 -0.00814 182 4PZ 0.01970 0.00477 -0.00121 0.00644 0.00151 183 5PX -0.00052 0.00155 0.00123 -0.00018 0.00740 184 5PY 0.00778 -0.01112 -0.00216 0.00393 -0.02165 185 5PZ -0.00377 -0.00002 -0.00238 -0.00275 -0.01079 186 10 O 1S -0.00539 -0.00066 0.00007 0.00030 -0.00050 187 2S 0.00781 0.00185 -0.00009 -0.00125 0.00178 188 3S 0.01494 0.00303 -0.00112 0.00082 -0.00001 189 4PX 0.00945 -0.00220 -0.00484 -0.00197 0.00437 190 4PY -0.03614 0.00682 -0.00227 -0.00099 0.00573 191 4PZ -0.01772 -0.00546 0.00122 -0.00496 -0.00181 192 5PX 0.00215 -0.00124 -0.00226 -0.00120 0.00062 193 5PY -0.01046 0.00563 -0.00111 0.00028 0.00585 194 5PZ -0.00271 -0.00338 0.00095 -0.00016 0.00041 171 172 173 174 175 171 7D-2 1.50497 172 8D 0 -0.00253 0.16710 173 8D+1 -0.00097 0.00005 0.16805 174 8D-1 0.00046 0.00027 -0.00014 0.16817 175 8D+2 -0.00064 -0.00084 -0.00024 0.00022 0.16527 176 8D-2 0.49906 -0.00058 -0.00002 -0.00059 0.00005 177 9 C 1S 0.00171 0.00089 0.00013 -0.00071 0.00111 178 2S 0.00009 -0.00165 -0.00003 0.00168 -0.00119 179 3S -0.03333 -0.01006 -0.00171 0.00163 -0.01785 180 4PX 0.00903 0.00084 0.00174 0.00043 -0.00112 181 4PY -0.00227 -0.00288 0.00050 0.00089 -0.00324 182 4PZ 0.00161 0.00206 -0.00086 0.00227 0.00000 183 5PX 0.00268 0.00037 0.00043 -0.00020 0.00250 184 5PY -0.01468 -0.00343 -0.00101 0.00174 -0.00728 185 5PZ -0.00686 0.00036 -0.00106 -0.00071 -0.00364 186 10 O 1S -0.00029 0.00009 0.00011 -0.00015 0.00035 187 2S 0.00102 -0.00004 -0.00014 0.00001 -0.00037 188 3S -0.00004 0.00057 -0.00054 0.00066 -0.00092 189 4PX -0.00775 -0.00060 -0.00166 -0.00056 0.00126 190 4PY 0.00105 0.00210 -0.00064 -0.00018 0.00220 191 4PZ -0.00177 -0.00231 0.00097 -0.00213 0.00012 192 5PX -0.00344 -0.00035 -0.00075 -0.00031 0.00011 193 5PY 0.00300 0.00188 -0.00032 0.00006 0.00206 194 5PZ 0.00000 -0.00140 0.00063 -0.00031 0.00046 176 177 178 179 180 176 8D-2 0.16563 177 9 C 1S 0.00077 2.09449 178 2S -0.00077 -0.19743 0.50653 179 3S -0.01213 -0.20845 0.40427 0.46663 180 4PX 0.00275 0.01215 -0.01760 -0.07147 0.37654 181 4PY -0.00127 -0.04715 0.06917 0.27385 -0.07011 182 4PZ 0.00002 -0.02087 0.02975 0.12504 -0.02916 183 5PX 0.00091 0.01173 -0.02210 -0.02033 0.05774 184 5PY -0.00512 -0.04781 0.09082 0.08013 0.01225 185 5PZ -0.00241 -0.01763 0.03238 0.03378 0.00523 186 10 O 1S 0.00026 0.01234 -0.01169 0.04081 -0.01680 187 2S -0.00032 -0.02018 0.01161 -0.09534 0.04148 188 3S -0.00064 0.01752 -0.09317 -0.10395 -0.00682 189 4PX -0.00260 0.02562 -0.06584 -0.00172 0.41183 190 4PY 0.00057 -0.09908 0.25495 0.00545 0.21822 191 4PZ -0.00007 -0.04193 0.10761 0.00098 0.09275 192 5PX -0.00113 0.00377 -0.00968 0.00034 0.15479 193 5PY 0.00112 -0.01398 0.03612 -0.00172 0.05228 194 5PZ 0.00026 -0.00636 0.01625 -0.00221 0.02190 181 182 183 184 185 181 4PY 0.62897 182 4PZ 0.11932 0.40414 183 5PX 0.01297 0.00470 0.01583 184 5PY 0.01349 -0.02053 -0.00321 0.02761 185 5PZ -0.02343 0.05632 -0.00190 0.00511 0.02074 186 10 O 1S 0.06517 0.02810 0.00149 -0.00556 -0.00284 187 2S -0.16096 -0.06934 -0.00040 0.00093 0.00150 188 3S 0.02663 0.01062 0.00472 -0.01979 -0.00602 189 4PX 0.21835 0.09250 0.05781 -0.00247 -0.00136 190 4PY -0.37635 -0.36500 -0.00212 0.06940 -0.00085 191 4PZ -0.36620 0.31754 -0.00148 0.00062 0.06277 192 5PX 0.05201 0.02193 0.01649 0.00182 0.00058 193 5PY -0.03304 -0.08830 0.00183 0.01107 -0.00418 194 5PZ -0.08778 0.13298 0.00074 -0.00456 0.01646 186 187 188 189 190 186 10 O 1S 2.11861 187 2S -0.25925 0.60498 188 3S -0.24790 0.52240 0.54074 189 4PX -0.00910 0.01597 0.07471 0.84471 190 4PY 0.03517 -0.06153 -0.28953 -0.00245 0.85090 191 4PZ 0.01505 -0.02617 -0.12470 0.00017 0.00758 192 5PX -0.00797 0.01916 0.02656 0.32287 0.03597 193 5PY 0.03097 -0.07426 -0.10299 0.03595 0.19115 194 5PZ 0.01312 -0.03152 -0.04437 0.01607 -0.05752 191 192 193 194 191 4PZ 0.83892 192 5PX 0.01628 0.12858 193 5PY -0.05847 0.01945 0.05733 194 5PZ 0.30247 0.00876 -0.03156 0.11771 Full Mulliken population analysis: 1 2 3 4 5 1 1 Cu 1S 2.00437 2 2S -0.00231 0.30157 3 3S 0.01157 -0.13100 1.17144 4 4PX 0.00000 0.00000 0.00000 1.99871 5 4PY 0.00000 0.00000 0.00000 0.00000 2.00334 6 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 7 5PX 0.00000 0.00000 0.00000 0.00299 0.00000 8 5PY 0.00000 0.00000 0.00000 0.00000 0.00242 9 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 6PX 0.00000 0.00000 0.00000 -0.00132 0.00000 11 6PY 0.00000 0.00000 0.00000 0.00000 -0.00011 12 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 14 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 15 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 16 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 17 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 18 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 19 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 2 Cu 1S 0.00000 -0.00030 -0.00052 0.00000 0.00000 24 2S -0.00037 0.02344 -0.09617 -0.00006 -0.00093 25 3S -0.00027 0.00558 -0.20852 -0.00006 -0.00068 26 4PX 0.00000 -0.00006 0.00006 0.00000 0.00000 27 4PY 0.00000 -0.00080 0.00060 0.00000 0.00000 28 4PZ 0.00000 -0.00024 0.00032 0.00000 0.00000 29 5PX -0.00002 0.00146 -0.00590 -0.00035 -0.00025 30 5PY -0.00042 0.01447 -0.09804 -0.00028 -0.00178 31 5PZ -0.00005 0.00903 -0.01308 -0.00005 -0.00051 32 6PX -0.00006 0.00097 -0.00488 0.00035 0.00001 33 6PY -0.00011 0.00445 -0.03085 0.00001 0.00001 34 6PZ -0.00012 -0.00153 -0.00341 0.00000 -0.00002 35 7D 0 0.00000 0.00000 0.00006 0.00000 0.00000 36 7D+1 0.00000 0.00004 0.00000 0.00000 0.00000 37 7D-1 0.00000 0.00036 0.00016 0.00000 0.00000 38 7D+2 0.00000 0.00045 0.00005 0.00000 0.00000 39 7D-2 0.00000 0.00013 0.00003 0.00000 0.00000 40 8D 0 0.00000 0.00013 0.00022 0.00000 0.00000 41 8D+1 0.00000 0.00014 0.00001 0.00000 -0.00001 42 8D-1 0.00001 0.00144 0.00077 -0.00001 -0.00009 43 8D+2 0.00000 0.00188 0.00023 -0.00003 -0.00008 44 8D-2 0.00000 0.00055 0.00016 -0.00001 -0.00004 45 3 Cu 1S 0.00000 -0.00041 0.00060 0.00000 0.00000 46 2S -0.00039 0.00775 -0.06921 -0.00062 0.00000 47 3S -0.00066 -0.00898 -0.02809 -0.00007 0.00000 48 4PX 0.00000 -0.00017 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69 3S -0.00075 -0.00948 -0.02952 0.00000 0.00001 70 4PX 0.00000 -0.00001 -0.00015 0.00000 0.00000 71 4PY 0.00000 0.00001 -0.00004 0.00000 0.00000 72 4PZ 0.00000 -0.00066 -0.00038 0.00000 0.00000 73 5PX -0.00008 -0.00140 -0.00044 -0.00012 0.00001 74 5PY -0.00004 0.00016 -0.00175 0.00000 -0.00017 75 5PZ -0.00069 0.01914 -0.02404 -0.00010 -0.00008 76 6PX -0.00004 0.00068 0.00029 0.00015 0.00000 77 6PY 0.00003 0.00044 -0.00001 0.00000 0.00006 78 6PZ -0.00014 0.00337 -0.02161 0.00005 0.00002 79 7D 0 0.00000 0.00031 0.00073 0.00000 0.00000 80 7D+1 0.00000 0.00011 0.00019 0.00000 0.00000 81 7D-1 0.00000 0.00012 0.00021 0.00000 0.00000 82 7D+2 0.00000 0.00000 -0.00001 0.00000 0.00000 83 7D-2 0.00000 0.00000 0.00003 0.00000 0.00000 84 8D 0 0.00000 0.00135 0.00361 -0.00003 -0.00002 85 8D+1 0.00000 0.00043 0.00100 0.00000 0.00000 86 8D-1 0.00000 0.00052 0.00102 -0.00001 0.00000 87 8D+2 0.00000 0.00000 -0.00003 0.00000 0.00000 88 8D-2 0.00000 0.00001 0.00015 0.00000 0.00000 89 5 Cu 1S 0.00000 -0.00026 -0.00016 0.00000 0.00000 90 2S -0.00022 0.03900 -0.08995 -0.00132 -0.00029 91 3S -0.00076 0.03248 -0.13053 -0.00033 -0.00006 92 4PX 0.00000 -0.00053 -0.00168 0.00000 0.00000 93 4PY 0.00000 -0.00002 -0.00028 0.00000 0.00000 94 4PZ 0.00000 -0.00003 0.00005 0.00000 0.00000 95 5PX -0.00039 0.01816 -0.02745 0.00000 -0.00009 96 5PY -0.00008 0.00287 -0.00658 -0.00015 -0.00006 97 5PZ 0.00000 -0.00068 -0.00105 -0.00003 0.00000 98 6PX -0.00016 -0.00432 -0.01974 -0.00001 0.00002 99 6PY 0.00001 -0.00158 -0.00201 0.00007 0.00004 100 6PZ -0.00008 0.00165 -0.00365 -0.00002 0.00000 101 7D 0 0.00000 0.00020 0.00024 0.00000 0.00000 102 7D+1 0.00000 0.00001 0.00002 0.00000 0.00000 103 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D+2 0.00000 0.00027 0.00022 0.00000 0.00000 105 7D-2 0.00000 0.00042 0.00058 0.00000 0.00000 106 8D 0 0.00002 0.00082 0.00119 -0.00007 -0.00001 107 8D+1 0.00000 0.00007 0.00006 -0.00001 0.00000 108 8D-1 0.00000 0.00001 -0.00002 -0.00001 0.00000 109 8D+2 0.00002 0.00111 0.00106 -0.00004 -0.00008 110 8D-2 0.00003 0.00168 0.00283 -0.00017 0.00001 111 6 Cu 1S 0.00000 -0.00033 0.00044 0.00000 0.00000 112 2S -0.00032 0.02259 -0.04632 0.00000 -0.00103 113 3S -0.00039 0.00307 -0.06742 0.00000 0.00004 114 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 115 4PY 0.00000 -0.00018 -0.00074 0.00000 0.00000 116 4PZ 0.00000 -0.00054 -0.00044 0.00000 0.00000 117 5PX 0.00000 -0.00005 0.00002 -0.00019 0.00000 118 5PY -0.00027 0.00188 -0.00626 0.00000 0.00011 119 5PZ -0.00020 0.01829 -0.01359 0.00000 -0.00026 120 6PX 0.00000 0.00008 -0.00029 0.00005 0.00000 121 6PY -0.00047 0.01040 -0.05967 0.00000 -0.00007 122 6PZ 0.00028 -0.01071 0.02622 0.00000 0.00007 123 7D 0 0.00000 0.00003 -0.00003 0.00000 0.00000 124 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 125 7D-1 0.00000 0.00067 0.00089 0.00000 0.00000 126 7D+2 0.00000 0.00014 0.00031 0.00000 0.00000 127 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 128 8D 0 0.00000 0.00013 -0.00018 0.00000 -0.00005 129 8D+1 0.00000 0.00000 0.00001 -0.00003 0.00000 130 8D-1 0.00002 0.00275 0.00441 0.00000 -0.00014 131 8D+2 0.00001 0.00059 0.00157 0.00000 0.00000 132 8D-2 0.00000 0.00000 0.00001 -0.00002 0.00000 133 7 Cu 1S 0.00000 -0.00025 -0.00013 0.00000 0.00000 134 2S -0.00024 0.03809 -0.08653 -0.00081 -0.00081 135 3S -0.00096 0.03459 -0.13736 -0.00017 -0.00017 136 4PX 0.00000 -0.00040 -0.00093 0.00000 0.00000 137 4PY 0.00000 -0.00018 -0.00079 0.00000 0.00000 138 4PZ 0.00000 0.00000 -0.00013 0.00000 0.00000 139 5PX -0.00027 0.00978 -0.01590 0.00006 -0.00014 140 5PY -0.00028 0.00935 -0.01853 -0.00017 0.00003 141 5PZ -0.00002 0.00171 -0.00055 0.00001 0.00000 142 6PX -0.00020 -0.00042 -0.01534 0.00001 0.00001 143 6PY -0.00015 -0.00083 -0.01742 0.00010 -0.00002 144 6PZ 0.00005 -0.00133 0.00111 0.00002 0.00002 145 7D 0 0.00000 0.00016 0.00021 0.00000 0.00000 146 7D+1 0.00000 0.00005 0.00004 0.00000 0.00000 147 7D-1 0.00000 0.00006 0.00008 0.00000 0.00000 148 7D+2 0.00000 -0.00001 -0.00002 0.00000 0.00000 149 7D-2 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5PX 0.00000 0.00000 0.00000 0.00000 0.03111 184 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 185 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 -0.00034 0.00233 -0.00028 187 2S 0.00000 -0.00029 0.00239 -0.02978 0.00354 188 3S 0.00000 0.00131 -0.03734 -0.05957 -0.00068 189 4PX 0.00000 -0.00029 0.00421 0.00007 0.05651 190 4PY 0.00000 -0.00437 0.06318 0.00087 0.02121 191 4PZ 0.00000 -0.00079 0.01143 0.00007 0.00386 192 5PX 0.00000 -0.00014 0.00137 -0.00004 0.05508 193 5PY 0.00000 -0.00204 0.01977 -0.00083 0.00582 194 5PZ 0.00000 -0.00040 0.00381 -0.00046 0.00104 181 182 183 184 185 181 4PY 0.62897 182 4PZ 0.00000 0.40414 183 5PX 0.00000 0.00000 0.01583 184 5PY 0.00727 0.00000 0.00000 0.02761 185 5PZ 0.00000 0.03034 0.00000 0.00000 0.02074 186 10 O 1S -0.00414 -0.00077 0.00003 0.00041 0.00009 187 2S 0.05331 0.00984 -0.00004 -0.00034 -0.00023 188 3S -0.01033 -0.00177 0.00067 0.01090 0.00142 189 4PX 0.02122 0.00385 0.00998 -0.00009 -0.00002 190 4PY 0.08073 0.05895 -0.00008 0.00272 0.00005 191 4PZ 0.05914 0.02955 -0.00002 -0.00004 0.00978 192 5PX 0.00579 0.00105 0.00977 0.00017 0.00002 193 5PY 0.00155 0.01633 0.00017 0.00285 0.00064 194 5PZ 0.01623 0.04060 0.00003 0.00070 0.00907 186 187 188 189 190 186 10 O 1S 2.11861 187 2S -0.07077 0.60498 188 3S -0.04542 0.41305 0.54074 189 4PX 0.00000 0.00000 0.00000 0.84471 190 4PY 0.00000 0.00000 0.00000 0.00000 0.85090 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.16337 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.09672 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 191 4PZ 0.83892 192 5PX 0.00000 0.12858 193 5PY 0.00000 0.00000 0.05733 194 5PZ 0.15305 0.00000 0.00000 0.11771 Gross orbital populations: 1 1 1 Cu 1S 2.00200 2 2S 0.63603 3 3S -0.75603 4 4PX 1.99494 5 4PY 1.99516 6 4PZ 1.99469 7 5PX 0.25517 8 5PY 0.33224 9 5PZ 0.20323 10 6PX -0.02102 11 6PY -0.03773 12 6PZ -0.02520 13 7D 0 1.65742 14 7D+1 1.64728 15 7D-1 1.63091 16 7D+2 1.62763 17 7D-2 1.63784 18 8D 0 0.31018 19 8D+1 0.31314 20 8D-1 0.31585 21 8D+2 0.31978 22 8D-2 0.31785 23 2 Cu 1S 1.99772 24 2S 0.61334 25 3S -0.13941 26 4PX 1.99532 27 4PY 1.99604 28 4PZ 1.99555 29 5PX 0.33285 30 5PY 0.27579 31 5PZ 0.22328 32 6PX -0.02121 33 6PY 0.06586 34 6PZ -0.01429 35 7D 0 1.65426 36 7D+1 1.65957 37 7D-1 1.61924 38 7D+2 1.62505 39 7D-2 1.61001 40 8D 0 0.30438 41 8D+1 0.30368 42 8D-1 0.30678 43 8D+2 0.30695 44 8D-2 0.31209 45 3 Cu 1S 2.00473 46 2S 0.66981 47 3S 0.13947 48 4PX 1.99450 49 4PY 1.99469 50 4PZ 1.99469 51 5PX 0.12455 52 5PY 0.09958 53 5PZ 0.15578 54 6PX 0.06056 55 6PY 0.02086 56 6PZ 0.03537 57 7D 0 1.65218 58 7D+1 1.63784 59 7D-1 1.65527 60 7D+2 1.64468 61 7D-2 1.64124 62 8D 0 0.31857 63 8D+1 0.32193 64 8D-1 0.31866 65 8D+2 0.32157 66 8D-2 0.32007 67 4 Cu 1S 2.00472 68 2S 0.66878 69 3S 0.14107 70 4PX 1.99478 71 4PY 1.99478 72 4PZ 1.99435 73 5PX 0.12684 74 5PY 0.12759 75 5PZ 0.12520 76 6PX 0.04128 77 6PY 0.03322 78 6PZ 0.04177 79 7D 0 1.65073 80 7D+1 1.64756 81 7D-1 1.65117 82 7D+2 1.64128 83 7D-2 1.64039 84 8D 0 0.31918 85 8D+1 0.32061 86 8D-1 0.31788 87 8D+2 0.32132 88 8D-2 0.32158 89 5 Cu 1S 2.00534 90 2S 0.70726 91 3S 0.32476 92 4PX 1.99431 93 4PY 1.99457 94 4PZ 1.99476 95 5PX 0.06727 96 5PY 0.04517 97 5PZ 0.07488 98 6PX 0.01157 99 6PY -0.01298 100 6PZ 0.02903 101 7D 0 1.64347 102 7D+1 1.64989 103 7D-1 1.64940 104 7D+2 1.65739 105 7D-2 1.64355 106 8D 0 0.32488 107 8D+1 0.32469 108 8D-1 0.32306 109 8D+2 0.32225 110 8D-2 0.32357 111 6 Cu 1S 2.00500 112 2S 0.66618 113 3S 0.14414 114 4PX 1.99479 115 4PY 1.99446 116 4PZ 1.99485 117 5PX 0.08066 118 5PY 0.12824 119 5PZ 0.17433 120 6PX -0.00242 121 6PY 0.07369 122 6PZ -0.03382 123 7D 0 1.64951 124 7D+1 1.65547 125 7D-1 1.63248 126 7D+2 1.65382 127 7D-2 1.64612 128 8D 0 0.32155 129 8D+1 0.32172 130 8D-1 0.32559 131 8D+2 0.32173 132 8D-2 0.32141 133 7 Cu 1S 2.00533 134 2S 0.70685 135 3S 0.34751 136 4PX 1.99434 137 4PY 1.99443 138 4PZ 1.99489 139 5PX 0.06389 140 5PY 0.05338 141 5PZ 0.07627 142 6PX 0.02251 143 6PY -0.00004 144 6PZ 0.00234 145 7D 0 1.64476 146 7D+1 1.65141 147 7D-1 1.65552 148 7D+2 1.65080 149 7D-2 1.64110 150 8D 0 0.32416 151 8D+1 0.32422 152 8D-1 0.32234 153 8D+2 0.32251 154 8D-2 0.32531 155 8 Cu 1S 2.00504 156 2S 0.71072 157 3S 0.37213 158 4PX 1.99478 159 4PY 1.99416 160 4PZ 1.99465 161 5PX 0.03373 162 5PY 0.05606 163 5PZ 0.05321 164 6PX 0.00794 165 6PY -0.01110 166 6PZ 0.01650 167 7D 0 1.63560 168 7D+1 1.65770 169 7D-1 1.64983 170 7D+2 1.65165 171 7D-2 1.65594 172 8D 0 0.32856 173 8D+1 0.32551 174 8D-1 0.32681 175 8D+2 0.32380 176 8D-2 0.32346 177 9 C 1S 1.99855 178 2S 0.88295 179 3S 0.69496 180 4PX 0.58092 181 4PY 0.88765 182 4PZ 0.61451 183 5PX 0.08726 184 5PY 0.04383 185 5PZ 0.08964 186 10 O 1S 1.99922 187 2S 0.99114 188 3S 0.83660 189 4PX 1.10356 190 4PY 1.16449 191 4PZ 1.10416 192 5PX 0.36255 193 5PY 0.19365 194 5PZ 0.33936 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 20.569491 -0.604389 -0.204175 -0.219949 -0.306433 -0.280197 2 Cu -0.604389 19.368995 -0.062693 -0.056843 0.049683 0.111237 3 Cu -0.204175 -0.062693 19.187051 0.015166 0.062452 -0.034914 4 Cu -0.219949 -0.056843 0.015166 19.173731 0.081091 -0.024071 5 Cu -0.306433 0.049683 0.062452 0.081091 19.041192 0.052543 6 Cu -0.280197 0.111237 -0.034914 -0.024071 0.052543 19.124804 7 Cu -0.329093 0.058735 0.082339 0.068329 0.072497 0.055417 8 Cu -0.354302 0.002077 0.093803 0.100988 0.050539 0.080083 9 C 0.075123 0.119300 -0.002833 -0.002678 -0.000284 -0.015672 10 O 0.005310 0.036730 -0.009590 -0.009694 -0.005192 0.000261 7 8 9 10 1 Cu -0.329093 -0.354302 0.075123 0.005310 2 Cu 0.058735 0.002077 0.119300 0.036730 3 Cu 0.082339 0.093803 -0.002833 -0.009590 4 Cu 0.068329 0.100988 -0.002678 -0.009694 5 Cu 0.072497 0.050539 -0.000284 -0.005192 6 Cu 0.055417 0.080083 -0.015672 0.000261 7 Cu 19.048642 0.073187 -0.000613 -0.005596 8 Cu 0.073187 19.061530 -0.001242 0.000036 9 C -0.000613 -0.001242 5.149209 0.559967 10 O -0.005596 0.000036 0.559967 7.522483 Mulliken atomic charges: 1 1 Cu 0.648615 2 Cu -0.022830 3 Cu -0.126605 4 Cu -0.126070 5 Cu -0.098087 6 Cu -0.069490 7 Cu -0.123843 8 Cu -0.106698 9 C 0.119725 10 O -0.094716 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.648615 2 Cu -0.022830 3 Cu -0.126605 4 Cu -0.126070 5 Cu -0.098087 6 Cu -0.069490 7 Cu -0.123843 8 Cu -0.106698 9 C 0.119725 10 O -0.094716 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.093112 2 Cu -0.125248 3 Cu -0.068040 4 Cu -0.070447 5 Cu -0.033347 6 Cu 0.063347 7 Cu -0.033924 8 Cu -0.018898 9 C 1.144349 10 O -0.950905 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.093112 2 Cu -0.125248 3 Cu -0.068040 4 Cu -0.070447 5 Cu -0.033347 6 Cu 0.063347 7 Cu -0.033924 8 Cu -0.018898 9 C 1.144349 10 O -0.950905 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4213.6387 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.0517 Y= -0.0054 Z= 0.1593 Tot= 0.1675 Quadrupole moment (field-independent basis, Debye-Ang): XX= -110.3170 YY= -115.4930 ZZ= -116.4255 XY= 0.8002 XZ= 1.0554 YZ= -1.0134 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 3.7615 YY= -1.4145 ZZ= -2.3470 XY= 0.8002 XZ= 1.0554 YZ= -1.0134 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 23.5248 YYY= 305.7937 ZZZ= -110.9012 XYY= -5.6275 XXY= 82.4924 XXZ= -29.1024 XZZ= 8.6145 YZZ= 97.8326 YYZ= -22.4699 XYZ= -5.3987 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1124.4337 YYYY= -3215.0395 ZZZZ= -1038.7161 XXXY= 180.9846 XXXZ= 37.7773 YYYX= 217.2052 YYYZ= -155.2856 ZZZX= 45.4623 ZZZY= -70.5627 XXYY= -685.2985 XXZZ= -340.5990 YYZZ= -666.9238 XXYZ= -45.8248 YYXZ= 13.9886 ZZXY= 45.0939 N-N= 2.074092480554D+03 E-N=-8.258314217731D+03 KE= 1.132160570811D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.27572 29.12431 2 O -10.35655 15.96868 3 O -4.34931 2.68677 4 O -4.30768 2.68729 5 O -4.29297 2.68656 6 O -4.29249 2.68780 7 O -4.28870 2.68770 8 O -4.28439 2.68762 9 O -4.28395 2.68764 10 O -4.27154 2.68765 11 O -2.86104 5.08120 12 O -2.85309 5.08576 13 O -2.85226 5.08851 14 O -2.81609 5.08081 15 O -2.81387 5.08370 16 O -2.81354 5.08352 17 O -2.80154 5.07394 18 O -2.80047 5.08314 19 O -2.80026 5.09025 20 O -2.79988 5.08820 21 O -2.79906 5.08514 22 O -2.79854 5.08847 23 O -2.79710 5.08982 24 O -2.79583 5.08617 25 O -2.79492 5.09008 26 O -2.79372 5.08653 27 O -2.79326 5.08662 28 O -2.79087 5.08895 29 O -2.79054 5.08941 30 O -2.79047 5.08932 31 O -2.79007 5.08919 32 O -2.78164 5.08602 33 O -2.77888 5.08933 34 O -2.77639 5.09012 35 O -1.19246 2.85986 36 O -0.59111 2.51891 37 O -0.48760 2.03381 38 O -0.48747 2.03514 39 O -0.48097 2.43942 40 O -0.35967 2.70663 41 O -0.34406 7.94716 42 O -0.33504 7.68535 43 O -0.32985 8.09610 44 O -0.32788 8.93465 45 O -0.32475 7.52973 46 O -0.31851 7.78758 47 O -0.30826 8.26578 48 O -0.30658 8.19603 49 O -0.30601 8.17333 50 O -0.30247 8.81115 51 O -0.29886 8.14265 52 O -0.28982 8.84015 53 O -0.28830 8.81926 54 O -0.28700 8.94460 55 O -0.28374 8.70361 56 O -0.28210 8.84949 57 O -0.27848 8.44380 58 O -0.27508 8.77836 59 O -0.27454 8.53476 60 O -0.27079 9.02175 61 O -0.26935 8.90308 62 O -0.26758 9.08424 63 O -0.26505 9.19458 64 O -0.26471 9.00051 65 O -0.26341 9.06340 66 O -0.26108 9.28157 67 O -0.25980 9.33103 68 O -0.25884 9.42713 69 O -0.25651 9.26195 70 O -0.25634 9.55439 71 O -0.25543 9.32459 72 O -0.25391 9.55654 73 O -0.25310 9.44029 74 O -0.25279 9.48551 75 O -0.25050 9.43359 76 O -0.24804 9.46328 77 O -0.24670 9.57208 78 O -0.24525 9.30016 79 O -0.24474 9.62603 80 O -0.24032 9.56708 81 O -0.20743 2.90606 82 O -0.20421 2.62615 83 O -0.18388 1.91174 84 V -0.09648 1.74153 85 V -0.08718 1.99181 86 V -0.07773 0.89621 87 V -0.06848 0.93739 88 V -0.06138 1.40856 89 V -0.05259 1.09982 90 V -0.03880 0.64706 91 V -0.03106 0.78011 92 V -0.00654 0.59115 93 V -0.00295 0.51478 94 V -0.00073 0.49189 95 V 0.02094 0.45830 96 V 0.02438 0.53572 97 V 0.02492 0.54688 98 V 0.02681 0.42908 99 V 0.03493 0.43417 100 V 0.03576 0.37350 101 V 0.03711 0.38379 102 V 0.03913 0.43284 103 V 0.04359 0.32726 104 V 0.04421 0.33180 105 V 0.04993 0.34324 106 V 0.05397 0.38003 107 V 0.05606 0.38036 108 V 0.06870 0.53414 109 V 0.06988 0.53618 110 V 0.07691 0.45290 111 V 0.07783 0.23863 112 V 0.08119 0.24206 113 V 0.08556 0.31776 114 V 0.08567 0.25157 115 V 0.08952 0.39251 116 V 0.09217 0.43490 117 V 0.09357 0.53846 118 V 0.09871 0.36120 119 V 0.10020 0.55154 120 V 0.10976 0.57489 121 V 0.12042 0.62338 122 V 0.12305 0.56978 123 V 0.15523 0.49327 124 V 0.17439 0.93811 125 V 0.19528 1.27602 126 V 0.20181 1.07474 127 V 0.20551 1.11147 128 V 0.22152 1.42775 129 V 0.24269 1.27975 130 V 0.25628 1.26461 131 V 0.26762 1.46963 132 V 0.27048 1.22786 133 V 0.28082 1.69806 134 V 0.28741 1.35326 135 V 0.29329 1.35806 136 V 0.31129 1.38350 137 V 0.32195 1.39468 138 V 0.34129 1.52181 139 V 0.37594 1.39386 140 V 0.40362 1.38060 141 V 0.52882 2.78410 142 V 0.62694 3.63470 143 V 0.63102 4.31478 144 V 0.64245 4.10143 145 V 0.67019 4.49058 146 V 0.67251 3.40341 147 V 0.67393 4.14528 148 V 0.71060 3.87945 149 V 0.71772 3.79714 150 V 0.73450 3.52270 151 V 0.74958 4.03218 152 V 0.76450 4.31235 153 V 0.77763 4.23757 154 V 0.79105 4.41430 155 V 0.79616 3.97360 156 V 0.81094 4.38266 157 V 0.82424 3.94582 158 V 0.85182 4.43745 159 V 0.86129 3.80626 160 V 0.86859 3.78915 161 V 0.88627 4.56488 162 V 0.90079 4.38503 163 V 0.90235 4.21759 164 V 0.94173 4.33957 165 V 0.96076 4.38967 166 V 1.00192 4.15986 167 V 1.02425 4.06274 168 V 1.03496 4.42120 169 V 1.05108 4.37947 170 V 1.05519 4.31944 171 V 1.08050 4.38207 172 V 1.10605 4.53217 173 V 1.12493 4.48872 174 V 1.13847 4.23381 175 V 1.20034 4.38541 176 V 1.24102 4.62565 177 V 1.27551 4.59779 178 V 1.27935 4.65647 179 V 1.28930 4.59310 180 V 1.30862 4.60366 181 V 1.31063 4.65738 182 V 1.32017 4.61813 183 V 1.32864 4.66678 184 V 1.34953 4.68701 185 V 1.43241 4.61628 186 V 1.58100 2.98251 187 V 1.68601 2.94477 188 V 1.71938 2.06591 189 V 1.88193 2.48852 190 V 2.06091 1.90049 191 V 2.64061 1.38911 192 V 2.75330 1.45192 193 V 4.05970 1.57715 194 V 10.64344 2.95114 Total kinetic energy from orbitals= 1.132160570811D+03 Exact polarizability: 281.120 -22.836 362.589 -3.895 23.567 265.625 Approx polarizability: 624.832 -48.977 814.854 -7.935 37.176 594.981 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon Apr 14 13:48:16 2008, MaxMem= 1258291200 cpu: 2.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l701.exe) Compute integral second derivatives. ... and contract with generalized density number 0. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2776 LenP2D= 15060. LDataN: DoStor=F MaxTD1= 6 Len= 172 LDataN: DoStor=T MaxTD1= 6 Len= 172 Leave Link 701 at Mon Apr 14 13:48:33 2008, MaxMem= 1258291200 cpu: 57.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l702.exe) L702 exits ... SP integral derivatives will be done elsewhere. Leave Link 702 at Mon Apr 14 13:48:33 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 Mon Apr 14 13:51:37 2008, MaxMem= 1258291200 cpu: 729.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole =-2.03568260D-02-2.11902470D-03 6.26548775D-02 Polarizability= 2.81120002D+02-2.28364274D+01 3.62589277D+02 -3.89516804D+00 2.35665117D+01 2.65625189D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000430898 -0.000016934 0.001278253 2 29 -0.000164254 0.000852459 -0.001268694 3 29 -0.000017871 0.000034457 0.000039759 4 29 0.000265709 -0.000012813 0.000090155 5 29 -0.000014214 0.000012199 -0.000350472 6 29 0.000146741 -0.000421094 -0.000350606 7 29 -0.000144721 -0.000165583 -0.000187437 8 29 0.000203913 -0.000162677 0.000011111 9 6 0.000333477 -0.000109157 0.000923060 10 8 -0.000177882 -0.000010859 -0.000185129 ------------------------------------------------------------------- Cartesian Forces: Max 0.001278253 RMS 0.000443582 Force constants in Cartesian coordinates: 1 2 3 4 5 1 0.517941D-01 2 -0.950045D-02 0.810802D-01 3 -0.398764D-03 0.739880D-02 0.398678D-01 4 0.201604D-02 0.615609D-02 0.309234D-02 0.526322D-01 5 0.640636D-02 -0.221078D-01 -0.983850D-02 -0.219725D-01 0.130624D+00 6 0.288295D-02 -0.851824D-02 -0.318471D-02 -0.544401D-02 0.365962D-01 7 -0.672387D-02 0.512093D-03 0.107463D-01 -0.219313D-02 -0.749013D-02 8 -0.741866D-03 0.711505D-03 -0.620858D-03 -0.555465D-02 -0.109619D-01 9 0.108631D-01 -0.188584D-02 -0.101578D-01 0.429552D-02 0.701088D-02 10 -0.159212D-03 -0.416146D-03 -0.590366D-02 -0.350262D-02 0.688202D-02 11 0.194635D-03 0.553991D-03 -0.366813D-02 0.621970D-02 -0.625106D-02 12 -0.560640D-02 -0.502660D-02 -0.156501D-01 -0.738710D-02 0.756858D-02 13 -0.262497D-01 0.115730D-01 -0.429113D-02 -0.114855D-01 -0.110689D-01 14 0.978558D-02 -0.338217D-02 0.152939D-02 -0.714025D-02 -0.664621D-02 15 -0.769319D-02 0.323038D-02 0.690179D-03 -0.953042D-02 -0.876933D-02 16 0.675732D-03 -0.976368D-03 -0.913738D-03 -0.902566D-03 0.155668D-03 17 -0.554897D-03 -0.124976D-01 0.161622D-01 -0.271379D-03 -0.142662D-02 18 -0.126499D-02 0.174695D-01 -0.115200D-01 0.105239D-03 -0.312020D-03 19 -0.171173D-01 -0.171060D-01 -0.442223D-02 -0.238462D-01 0.828685D-02 20 -0.149295D-01 -0.130515D-01 -0.331267D-02 0.366378D-02 -0.960305D-03 21 -0.172628D-02 -0.129052D-02 0.149314D-02 0.688085D-02 -0.207848D-02 22 -0.340714D-02 0.100274D-01 0.238950D-02 -0.102593D-02 -0.261254D-03 23 0.955983D-02 -0.316598D-01 -0.798253D-02 -0.475821D-04 -0.161885D-03 24 0.320762D-02 -0.114843D-01 -0.170671D-02 -0.112392D-03 0.502440D-03 25 -0.181131D-02 -0.229167D-03 -0.509656D-03 -0.173937D-01 0.151032D-01 26 -0.159164D-03 -0.817704D-03 0.376166D-03 0.147591D-01 -0.733781D-01 27 -0.432335D-03 -0.288330D-04 0.451016D-04 0.632857D-02 -0.238379D-01 28 0.982649D-03 -0.403719D-04 0.211044D-03 0.570142D-02 0.395880D-02 29 -0.605389D-04 0.117078D-02 -0.438231D-04 0.418770D-02 -0.873026D-02 30 0.168313D-03 0.135698D-03 0.123072D-03 0.177141D-02 -0.684191D-02 6 7 8 9 10 6 0.398479D-01 7 0.315434D-02 0.481239D-01 8 0.358942D-02 -0.152724D-03 0.254600D-01 9 -0.288888D-03 -0.611953D-02 -0.735610D-02 0.286898D-01 10 -0.500098D-02 -0.261098D-01 -0.432731D-02 -0.375542D-02 0.379304D-01 11 0.438944D-02 -0.529574D-02 0.229699D-03 -0.144385D-02 0.811431D-02 12 -0.389995D-02 -0.616673D-02 -0.174537D-02 0.131942D-02 0.113939D-01 13 -0.950043D-02 -0.922569D-03 0.240262D-02 -0.671487D-02 -0.204020D-02 14 -0.568977D-02 0.112767D-02 -0.195821D-02 0.499182D-02 0.196748D-03 15 -0.762042D-02 -0.358095D-02 0.615742D-02 -0.170277D-01 -0.117122D-02 16 -0.208208D-03 -0.924083D-02 0.848451D-02 0.173188D-02 -0.137256D-02 17 0.160585D-02 0.120915D-01 -0.109462D-01 -0.178403D-02 -0.720811D-02 18 -0.140258D-02 0.696849D-03 -0.528416D-03 0.147567D-02 -0.203210D-02 19 0.595626D-02 -0.233052D-02 -0.203233D-03 0.200158D-04 -0.379945D-02 20 -0.716765D-03 -0.537576D-03 -0.149812D-02 0.875942D-04 -0.330487D-02 21 -0.145391D-02 0.795352D-03 0.128771D-02 -0.199941D-02 0.626013D-02 22 0.945031D-04 -0.342868D-03 0.103743D-02 0.984681D-04 -0.198516D-03 23 -0.836831D-03 0.429288D-04 -0.365870D-03 0.447698D-03 -0.185588D-03 24 -0.969518D-03 0.317155D-03 -0.140357D-02 -0.157848D-02 0.701388D-03 25 0.607537D-02 -0.457347D-03 -0.161631D-02 -0.955056D-03 -0.120399D-02 26 -0.223938D-01 -0.686916D-03 0.830932D-04 0.167271D-03 0.919613D-05 27 -0.245721D-01 0.115656D-03 0.144521D-02 -0.633966D-03 -0.906024D-03 28 0.199022D-02 0.196963D-03 0.671524D-03 0.535913D-03 0.455914D-03 29 -0.802555D-02 0.388901D-03 -0.753984D-03 -0.235443D-03 0.239746D-03 30 0.354416D-02 0.415565D-04 -0.825458D-03 0.201343D-03 0.414024D-03 11 12 13 14 15 11 0.288114D-01 12 -0.327268D-02 0.357527D-01 13 -0.512618D-03 -0.160553D-03 0.427235D-01 14 -0.139184D-02 0.315843D-03 -0.293508D-02 0.145159D-01 15 0.827358D-03 -0.239428D-02 0.217313D-01 -0.183622D-03 0.272087D-01 16 -0.448245D-02 -0.247259D-02 -0.217413D-03 0.107828D-02 -0.523415D-03 17 -0.170736D-01 -0.624738D-02 0.265122D-03 -0.404307D-03 0.751454D-04 18 -0.355156D-02 0.670084D-04 0.404986D-03 0.864338D-03 -0.122984D-02 19 -0.475819D-02 0.960202D-02 -0.130101D-02 -0.419151D-03 0.791601D-03 20 -0.396819D-02 0.779348D-02 0.811256D-04 -0.250647D-03 -0.789007D-04 21 0.735567D-02 -0.135088D-01 -0.138771D-02 -0.581736D-03 0.499004D-03 22 -0.161330D-03 0.439553D-03 0.132684D-03 0.333524D-05 0.631542D-03 23 -0.621281D-03 0.474489D-03 -0.161752D-03 0.132308D-03 -0.409025D-03 24 -0.143077D-02 -0.126634D-02 -0.640442D-04 0.272219D-03 0.519506D-03 25 0.583782D-03 0.696463D-03 -0.941608D-03 -0.326030D-02 -0.106661D-02 26 0.612967D-03 0.509346D-03 0.589884D-03 0.684071D-03 -0.962489D-03 27 0.167426D-02 -0.553909D-03 0.676404D-04 -0.172997D-02 -0.101442D-02 28 0.979063D-04 -0.338525D-03 0.301695D-03 0.156317D-02 0.411368D-03 29 -0.902020D-03 -0.369712D-03 -0.233347D-03 -0.129886D-02 0.113056D-03 30 -0.879729D-03 0.134181D-03 -0.851801D-04 0.211481D-03 0.369238D-03 16 17 18 19 20 16 0.137975D-01 17 -0.643018D-02 0.457075D-01 18 -0.759019D-02 -0.334016D-02 0.449861D-01 19 0.922470D-04 -0.960434D-04 -0.162720D-03 0.496554D-01 20 -0.106410D-02 -0.907077D-03 0.429836D-03 0.142061D-01 0.202929D-01 21 0.882877D-03 0.208406D-03 -0.108093D-02 -0.119093D-01 -0.364699D-02 22 -0.302566D-02 0.173082D-02 0.953603D-02 0.215804D-03 0.559086D-04 23 0.262865D-02 -0.157682D-02 -0.935531D-02 0.388153D-03 0.414809D-03 24 0.888956D-02 -0.554334D-02 -0.317392D-01 -0.107690D-03 0.235249D-03 25 0.561412D-03 0.819649D-03 0.478602D-03 -0.226147D-02 0.265496D-02 26 0.962949D-03 -0.138525D-02 -0.259577D-02 -0.118180D-02 0.144472D-02 27 0.290809D-03 -0.183718D-02 0.104546D-02 0.675264D-04 -0.605443D-03 28 -0.367895D-03 -0.346482D-03 -0.171716D-03 0.692610D-03 -0.825870D-03 29 -0.356961D-03 0.510051D-03 0.919606D-03 0.883347D-03 -0.151664D-02 30 -0.869855D-04 0.700527D-03 -0.601658D-03 0.164530D-03 -0.185394D-03 21 22 23 24 25 21 0.161008D-01 22 -0.485507D-03 0.699138D-02 23 -0.531095D-03 -0.126841D-01 0.353996D-01 24 0.257242D-03 -0.127450D-01 0.182297D-01 0.358659D-01 25 0.104416D-02 0.119002D-02 0.584810D-03 -0.665890D-04 0.930575D-01 26 -0.942446D-03 0.380568D-03 -0.175846D-02 0.789048D-03 -0.219456D+00 27 -0.588448D-03 0.804051D-04 0.249698D-03 0.911395D-03 -0.932393D-01 28 -0.354568D-03 -0.529771D-03 -0.125356D-03 -0.200488D-04 -0.707395D-01 29 0.219479D-03 -0.128801D-03 0.197343D-03 -0.166652D-03 0.204815D+00 30 0.281295D-03 -0.395417D-04 -0.286766D-03 -0.293826D-03 0.875426D-01 26 27 28 29 30 26 0.884701D+00 27 0.366338D+00 0.186981D+00 28 0.204782D+00 0.876271D-01 0.633059D-01 29 -0.810186D+00 -0.341668D+00 -0.209735D+00 0.821509D+00 30 -0.341285D+00 -0.161620D+00 -0.898908D-01 0.349257D+00 0.157862D+00 Leave Link 716 at Mon Apr 14 13:51:38 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 D2Numr ... symmetry will not be used. Leave Link 106 at Mon Apr 14 13:51:38 2008, MaxMem= 1258291200 cpu: 0.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0019 0.0000 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2074.0924805540 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 10 NActive= 10 NUniq= 10 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Mon Apr 14 13:51:38 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= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 194 RedAO= T NBF= 194 NBsUse= 194 1.00D-06 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 615 NPtTot= 106536 NUsed= 110882 NTot= 110914 NSgBfM= 210 210 210 210. Leave Link 302 at Mon Apr 14 13:51:41 2008, MaxMem= 1258291200 cpu: 8.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2074.0480161680 hartrees. Leave Link 303 at Mon Apr 14 13:51:42 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. Leave Link 401 at Mon Apr 14 13:51:42 2008, MaxMem= 1258291200 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 110881 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234528. IEnd= 284564 IEndB= 284564 NGot=1258291200 MDV=1012634483 LenX=1012634483 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= -1682.74465573753 DIIS: error= 1.41D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.74465573753 IErMin= 1 ErrMin= 1.41D-03 ErrMax= 1.41D-03 EMaxC= 1.00D-01 BMatC= 9.53D-05 BMatP= 9.53D-05 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.41D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.086 Goal= None Shift= 0.000 GapD= 0.086 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.76D-04 MaxDP=8.78D-03 OVMax= 3.51D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.74476436701 Delta-E= -0.000108629485 Rises=F Damp=T DIIS: error= 4.35D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.74476436701 IErMin= 2 ErrMin= 4.35D-04 ErrMax= 4.35D-04 EMaxC= 1.00D-01 BMatC= 6.70D-05 BMatP= 9.53D-05 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.35D-03 Coeff-Com: 0.439D+00 0.561D+00 Coeff-En: 0.379D+00 0.621D+00 Coeff: 0.438D+00 0.562D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=2.41D-04 MaxDP=4.54D-03 DE=-1.09D-04 OVMax= 1.61D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.74509447657 Delta-E= -0.000330109561 Rises=F Damp=F DIIS: error= 3.85D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.74509447657 IErMin= 3 ErrMin= 3.85D-04 ErrMax= 3.85D-04 EMaxC= 1.00D-01 BMatC= 5.87D-05 BMatP= 6.70D-05 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.85D-03 Coeff-Com: 0.268D+00 0.365D+00 0.366D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.267D+00 0.364D+00 0.369D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=6.67D-05 MaxDP=9.80D-04 DE=-3.30D-04 OVMax= 3.07D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.74515584350 Delta-E= -0.000061366929 Rises=F Damp=F DIIS: error= 4.87D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.74515584350 IErMin= 4 ErrMin= 4.87D-05 ErrMax= 4.87D-05 EMaxC= 1.00D-01 BMatC= 1.04D-06 BMatP= 5.87D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.759D-01 0.486D-01 0.796D-01 0.796D+00 Coeff: 0.759D-01 0.486D-01 0.796D-01 0.796D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=2.96D-05 MaxDP=7.33D-04 DE=-6.14D-05 OVMax= 6.67D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.74515702380 Delta-E= -0.000001180300 Rises=F Damp=F DIIS: error= 4.05D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.74515702380 IErMin= 5 ErrMin= 4.05D-05 ErrMax= 4.05D-05 EMaxC= 1.00D-01 BMatC= 1.16D-06 BMatP= 1.04D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.242D-01-0.526D-02-0.123D-02 0.533D+00 0.449D+00 Coeff: 0.242D-01-0.526D-02-0.123D-02 0.533D+00 0.449D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=1.21D-05 MaxDP=2.20D-04 DE=-1.18D-06 OVMax= 2.59D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.74515766746 Delta-E= -0.000000643656 Rises=F Damp=F DIIS: error= 2.34D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.74515766746 IErMin= 6 ErrMin= 2.34D-05 ErrMax= 2.34D-05 EMaxC= 1.00D-01 BMatC= 2.76D-07 BMatP= 1.04D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.801D-06-0.102D-01-0.254D-01 0.129D+00 0.358D+00 0.549D+00 Coeff: 0.801D-06-0.102D-01-0.254D-01 0.129D+00 0.358D+00 0.549D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=5.67D-06 MaxDP=1.05D-04 DE=-6.44D-07 OVMax= 1.27D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.74515786683 Delta-E= -0.000000199372 Rises=F Damp=F DIIS: error= 8.83D-06 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.74515786683 IErMin= 7 ErrMin= 8.83D-06 ErrMax= 8.83D-06 EMaxC= 1.00D-01 BMatC= 2.71D-08 BMatP= 2.76D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.963D-03-0.720D-02-0.183D-01 0.667D-01 0.238D+00 0.400D+00 Coeff-Com: 0.322D+00 Coeff: -0.963D-03-0.720D-02-0.183D-01 0.667D-01 0.238D+00 0.400D+00 Coeff: 0.322D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=1.84D-06 MaxDP=4.75D-05 DE=-1.99D-07 OVMax= 8.66D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.74515789469 Delta-E= -0.000000027864 Rises=F Damp=F DIIS: error= 3.17D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.74515789469 IErMin= 8 ErrMin= 3.17D-06 ErrMax= 3.17D-06 EMaxC= 1.00D-01 BMatC= 3.58D-09 BMatP= 2.71D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.563D-03-0.320D-02-0.796D-02 0.210D-01 0.991D-01 0.183D+00 Coeff-Com: 0.253D+00 0.455D+00 Coeff: -0.563D-03-0.320D-02-0.796D-02 0.210D-01 0.991D-01 0.183D+00 Coeff: 0.253D+00 0.455D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=6.23D-07 MaxDP=9.51D-06 DE=-2.79D-08 OVMax= 2.44D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.74515789705 Delta-E= -0.000000002357 Rises=F Damp=F DIIS: error= 1.44D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.74515789705 IErMin= 9 ErrMin= 1.44D-06 ErrMax= 1.44D-06 EMaxC= 1.00D-01 BMatC= 5.97D-10 BMatP= 3.58D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.260D-03-0.841D-03-0.168D-02-0.913D-03 0.154D-01 0.385D-01 Coeff-Com: 0.114D+00 0.318D+00 0.517D+00 Coeff: -0.260D-03-0.841D-03-0.168D-02-0.913D-03 0.154D-01 0.385D-01 Coeff: 0.114D+00 0.318D+00 0.517D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=3.32D-07 MaxDP=4.82D-06 DE=-2.36D-09 OVMax= 1.74D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.74515789782 Delta-E= -0.000000000771 Rises=F Damp=F DIIS: error= 7.00D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.74515789782 IErMin=10 ErrMin= 7.00D-07 ErrMax= 7.00D-07 EMaxC= 1.00D-01 BMatC= 2.32D-10 BMatP= 5.97D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.838D-04-0.688D-04 0.929D-04-0.480D-02-0.543D-02-0.174D-02 Coeff-Com: 0.527D-01 0.195D+00 0.391D+00 0.374D+00 Coeff: -0.838D-04-0.688D-04 0.929D-04-0.480D-02-0.543D-02-0.174D-02 Coeff: 0.527D-01 0.195D+00 0.391D+00 0.374D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=1.28D-07 MaxDP=4.63D-06 DE=-7.71D-10 OVMax= 1.96D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.74515789798 Delta-E= -0.000000000159 Rises=F Damp=F DIIS: error= 2.00D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.74515789798 IErMin=11 ErrMin= 2.00D-07 ErrMax= 2.00D-07 EMaxC= 1.00D-01 BMatC= 2.66D-11 BMatP= 2.32D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.462D-05 0.148D-03 0.384D-03-0.284D-02-0.654D-02-0.101D-01 Coeff-Com: 0.685D-02 0.614D-01 0.132D+00 0.263D+00 0.556D+00 Coeff: 0.462D-05 0.148D-03 0.384D-03-0.284D-02-0.654D-02-0.101D-01 Coeff: 0.685D-02 0.614D-01 0.132D+00 0.263D+00 0.556D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=6.72D-08 MaxDP=1.27D-06 DE=-1.59D-10 OVMax= 3.25D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.74515789801 Delta-E= -0.000000000031 Rises=F Damp=F DIIS: error= 7.29D-08 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.74515789801 IErMin=12 ErrMin= 7.29D-08 ErrMax= 7.29D-08 EMaxC= 1.00D-01 BMatC= 3.73D-12 BMatP= 2.66D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.101D-04 0.966D-04 0.209D-03-0.125D-02-0.336D-02-0.594D-02 Coeff-Com: -0.592D-03 0.196D-01 0.407D-01 0.123D+00 0.375D+00 0.453D+00 Coeff: 0.101D-04 0.966D-04 0.209D-03-0.125D-02-0.336D-02-0.594D-02 Coeff: -0.592D-03 0.196D-01 0.407D-01 0.123D+00 0.375D+00 0.453D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=2.51D-08 MaxDP=6.08D-07 DE=-3.09D-11 OVMax= 6.78D-07 Cycle 13 Pass 1 IDiag 1: E= -1682.74515789800 Delta-E= 0.000000000009 Rises=F Damp=F DIIS: error= 6.15D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=12 EnMin= -1682.74515789801 IErMin=13 ErrMin= 6.15D-08 ErrMax= 6.15D-08 EMaxC= 1.00D-01 BMatC= 7.04D-13 BMatP= 3.73D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.739D-05 0.367D-04 0.651D-04-0.255D-03-0.973D-03-0.203D-02 Coeff-Com: -0.196D-02 0.294D-03-0.284D-02 0.256D-01 0.141D+00 0.330D+00 Coeff-Com: 0.511D+00 Coeff: 0.739D-05 0.367D-04 0.651D-04-0.255D-03-0.973D-03-0.203D-02 Coeff: -0.196D-02 0.294D-03-0.284D-02 0.256D-01 0.141D+00 0.330D+00 Coeff: 0.511D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=1.08D-08 MaxDP=2.76D-07 DE= 8.64D-12 OVMax= 3.34D-07 Cycle 14 Pass 1 IDiag 1: E= -1682.74515789801 Delta-E= -0.000000000006 Rises=F Damp=F DIIS: error= 1.77D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=12 EnMin= -1682.74515789801 IErMin=14 ErrMin= 1.77D-08 ErrMax= 1.77D-08 EMaxC= 1.00D-01 BMatC= 6.99D-14 BMatP= 7.04D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.288D-05 0.501D-05 0.128D-05 0.570D-04 0.802D-05-0.150D-03 Coeff-Com: -0.116D-02-0.289D-02-0.929D-02-0.232D-02 0.157D-01 0.121D+00 Coeff-Com: 0.269D+00 0.610D+00 Coeff: 0.288D-05 0.501D-05 0.128D-05 0.570D-04 0.802D-05-0.150D-03 Coeff: -0.116D-02-0.289D-02-0.929D-02-0.232D-02 0.157D-01 0.121D+00 Coeff: 0.269D+00 0.610D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=4.88D-09 MaxDP=9.13D-08 DE=-5.91D-12 OVMax= 2.38D-07 SCF Done: E(RB+HF-LYP) = -1682.74515790 A.U. after 14 cycles Convg = 0.4880D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132164354106D+03 PE=-8.258275465221D+03 EE= 3.369317937049D+03 Leave Link 502 at Mon Apr 14 13:52:23 2008, MaxMem= 1258291200 cpu: 134.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.15887836D+02 **** Warning!!: The smallest alpha delta epsilon is 0.86927196D-01 Leave Link 801 at Mon Apr 14 13:52:23 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Mon Apr 14 13:52:31 2008, MaxMem= 1258291200 cpu: 20.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 10. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Mon Apr 14 13:52:32 2008, MaxMem= 1258291200 cpu: 0.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291118. G2DrvN: will do 11 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Mon Apr 14 13:53:41 2008, MaxMem= 1258291200 cpu: 260.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: Closed-shell wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291118 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 246256364. 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. 1 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 1.49D-15 Conv= 1.00D-12. Inverted reduced A of dimension 52 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.281912D+03 2 -0.231231D+02 0.362118D+03 3 -0.304121D+01 0.230963D+02 0.265960D+03 Isotropic polarizability for W= 0.000000 303.33 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Mon Apr 14 13:54:53 2008, MaxMem= 1258291200 cpu: 250.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27616 -10.35704 -4.34929 -4.30719 -4.29279 Alpha occ. eigenvalues -- -4.29207 -4.28822 -4.28459 -4.28321 -4.27083 Alpha occ. eigenvalues -- -2.86104 -2.85305 -2.85221 -2.81560 -2.81339 Alpha occ. eigenvalues -- -2.81307 -2.80130 -2.80025 -2.79988 -2.79952 Alpha occ. eigenvalues -- -2.79885 -2.79815 -2.79662 -2.79534 -2.79444 Alpha occ. eigenvalues -- -2.79393 -2.79251 -2.79103 -2.79069 -2.78979 Alpha occ. eigenvalues -- -2.78938 -2.78093 -2.77820 -2.77570 -1.19311 Alpha occ. eigenvalues -- -0.59195 -0.48839 -0.48828 -0.48140 -0.35937 Alpha occ. eigenvalues -- -0.34390 -0.33486 -0.32970 -0.32778 -0.32456 Alpha occ. eigenvalues -- -0.31825 -0.30786 -0.30615 -0.30567 -0.30207 Alpha occ. eigenvalues -- -0.29851 -0.28950 -0.28792 -0.28666 -0.28342 Alpha occ. eigenvalues -- -0.28164 -0.27808 -0.27472 -0.27416 -0.27041 Alpha occ. eigenvalues -- -0.26906 -0.26731 -0.26470 -0.26437 -0.26303 Alpha occ. eigenvalues -- -0.26075 -0.25966 -0.25834 -0.25631 -0.25598 Alpha occ. eigenvalues -- -0.25506 -0.25353 -0.25262 -0.25236 -0.25002 Alpha occ. eigenvalues -- -0.24747 -0.24626 -0.24462 -0.24418 -0.23972 Alpha occ. eigenvalues -- -0.20709 -0.20373 -0.18347 Alpha virt. eigenvalues -- -0.09655 -0.08753 -0.07786 -0.06846 -0.06047 Alpha virt. eigenvalues -- -0.05200 -0.03857 -0.03080 -0.00808 -0.00308 Alpha virt. eigenvalues -- -0.00059 0.01972 0.02318 0.02553 0.02822 Alpha virt. eigenvalues -- 0.03265 0.03445 0.03833 0.03902 0.04368 Alpha virt. eigenvalues -- 0.04564 0.04858 0.05610 0.05723 0.06972 Alpha virt. eigenvalues -- 0.07332 0.07668 0.07729 0.08159 0.08436 Alpha virt. eigenvalues -- 0.08733 0.09076 0.09448 0.09622 0.09977 Alpha virt. eigenvalues -- 0.10358 0.11158 0.12042 0.12381 0.15722 Alpha virt. eigenvalues -- 0.17387 0.19561 0.20163 0.20626 0.22153 Alpha virt. eigenvalues -- 0.24304 0.25689 0.26797 0.27094 0.28180 Alpha virt. eigenvalues -- 0.28760 0.29358 0.31173 0.32211 0.34201 Alpha virt. eigenvalues -- 0.37553 0.40259 0.52772 0.62716 0.63127 Alpha virt. eigenvalues -- 0.64234 0.67032 0.67141 0.67401 0.71042 Alpha virt. eigenvalues -- 0.71800 0.73393 0.74973 0.76518 0.77787 Alpha virt. eigenvalues -- 0.79119 0.79619 0.81141 0.82468 0.85233 Alpha virt. eigenvalues -- 0.86124 0.86873 0.88668 0.90108 0.90249 Alpha virt. eigenvalues -- 0.94215 0.96135 1.00242 1.02468 1.03513 Alpha virt. eigenvalues -- 1.05184 1.05534 1.08072 1.10655 1.12542 Alpha virt. eigenvalues -- 1.13890 1.20084 1.24130 1.27600 1.27950 Alpha virt. eigenvalues -- 1.28962 1.30912 1.31094 1.32036 1.32913 Alpha virt. eigenvalues -- 1.34980 1.43280 1.58071 1.68522 1.72010 Alpha virt. eigenvalues -- 1.88237 2.06133 2.64364 2.75215 4.06010 Alpha virt. eigenvalues -- 10.64304 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 20.556186 -0.603814 -0.200522 -0.219822 -0.300474 -0.279466 2 Cu -0.603814 19.371479 -0.064161 -0.057447 0.044412 0.111245 3 Cu -0.200522 -0.064161 19.207163 0.014669 0.061759 -0.036234 4 Cu -0.219822 -0.057447 0.014669 19.161108 0.082690 -0.022622 5 Cu -0.300474 0.044412 0.061759 0.082690 19.059686 0.053476 6 Cu -0.279466 0.111245 -0.036234 -0.022622 0.053476 19.120990 7 Cu -0.331035 0.061857 0.081713 0.068062 0.072750 0.054414 8 Cu -0.352839 0.001448 0.094592 0.100199 0.050891 0.081643 9 C 0.075392 0.120129 -0.002828 -0.002737 -0.000348 -0.015661 10 O 0.005234 0.036940 -0.009780 -0.009622 -0.005446 0.000264 7 8 9 10 1 Cu -0.331035 -0.352839 0.075392 0.005234 2 Cu 0.061857 0.001448 0.120129 0.036940 3 Cu 0.081713 0.094592 -0.002828 -0.009780 4 Cu 0.068062 0.100199 -0.002737 -0.009622 5 Cu 0.072750 0.050891 -0.000348 -0.005446 6 Cu 0.054414 0.081643 -0.015661 0.000264 7 Cu 19.027579 0.072048 -0.000558 -0.005461 8 Cu 0.072048 19.053276 -0.001182 0.000035 9 C -0.000558 -0.001182 5.149715 0.559032 10 O -0.005461 0.000035 0.559032 7.527150 Mulliken atomic charges: 1 1 Cu 0.651161 2 Cu -0.022090 3 Cu -0.146371 4 Cu -0.114478 5 Cu -0.119395 6 Cu -0.068047 7 Cu -0.101369 8 Cu -0.100109 9 C 0.119044 10 O -0.098345 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.651161 2 Cu -0.022090 3 Cu -0.146371 4 Cu -0.114478 5 Cu -0.119395 6 Cu -0.068047 7 Cu -0.101369 8 Cu -0.100109 9 C 0.119044 10 O -0.098345 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.092286 2 Cu -0.128109 3 Cu -0.082715 4 Cu -0.059640 5 Cu -0.058993 6 Cu 0.064062 7 Cu -0.008266 8 Cu -0.006396 9 C 1.150306 10 O -0.962535 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.092286 2 Cu -0.128109 3 Cu -0.082715 4 Cu -0.059640 5 Cu -0.058993 6 Cu 0.064062 7 Cu -0.008266 8 Cu -0.006396 9 C 1.150306 10 O -0.962535 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4213.5535 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -1.4032 Y= 0.1050 Z= 0.1759 Tot= 1.4181 Quadrupole moment (field-independent basis, Debye-Ang): XX= -110.1891 YY= -115.4901 ZZ= -116.4418 XY= 1.9005 XZ= 0.2807 YZ= -0.8411 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 3.8513 YY= -1.4498 ZZ= -2.4015 XY= 1.9005 XZ= 0.2807 YZ= -0.8411 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 11.3076 YYY= 308.4684 ZZZ= -111.1026 XYY= -11.5089 XXY= 82.5491 XXZ= -29.1400 XZZ= 4.0674 YZZ= 98.6036 YYZ= -21.5429 XYZ= -4.8607 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1123.9252 YYYY= -3223.2234 ZZZZ= -1039.0310 XXXY= 193.2657 XXXZ= 29.0805 YYYX= 227.9565 YYYZ= -155.8617 ZZZX= 39.4645 ZZZY= -68.0687 XXYY= -682.1007 XXZZ= -341.3689 YYZZ= -666.0733 XXYZ= -44.4310 YYXZ= 10.3014 ZZXY= 47.7116 N-N= 2.074048016168D+03 E-N=-8.258275477199D+03 KE= 1.132164354106D+03 Exact polarizability: 281.912 -23.123 362.118 -3.041 23.096 265.960 Approx polarizability: 626.026 -49.356 817.568 -6.268 37.286 595.385 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon Apr 14 13:54:54 2008, MaxMem= 1258291200 cpu: 1.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-5.52065364D-01 4.13166430D-02 6.92107304D-02 Polarizability= 2.81912115D+02-2.31231481D+01 3.62117631D+02 -3.04121379D+00 2.30962670D+01 2.65960341D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000515950 0.000089051 0.001271348 2 29 -0.000241094 0.000726594 -0.001464998 3 29 -0.000020651 0.000046642 -0.000006861 4 29 0.000378910 -0.000196350 0.000106637 5 29 0.000018604 0.000008011 -0.000431457 6 29 0.000325822 -0.000305077 -0.000198932 7 29 -0.000183876 -0.000222330 -0.000079732 8 29 0.000120796 -0.000172638 -0.000039968 9 6 -0.000075699 0.000970341 0.001463878 10 8 0.000193137 -0.000944244 -0.000619915 ------------------------------------------------------------------- Cartesian Forces: Max 0.001464998 RMS 0.000571060 Leave Link 716 at Mon Apr 14 13:54:54 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=1 IStep= 1. Leave Link 106 at Mon Apr 14 13:54:55 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. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2074.0924805540 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 10 NActive= 10 NUniq= 10 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Mon Apr 14 13:54:55 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 194 RedAO= T NBF= 194 NBsUse= 194 1.00D-06 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 615 NPtTot= 106536 NUsed= 110882 NTot= 110914 NSgBfM= 210 210 210 210. Leave Link 302 at Mon Apr 14 13:54:59 2008, MaxMem= 1258291200 cpu: 9.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2074.1369449399 hartrees. Leave Link 303 at Mon Apr 14 13:55:00 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. Leave Link 401 at Mon Apr 14 13:55:00 2008, MaxMem= 1258291200 cpu: 0.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 110881 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234528. IEnd= 284564 IEndB= 284564 NGot=1258291200 MDV=1012634483 LenX=1012634483 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= -1682.74457879987 DIIS: error= 1.41D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.74457879987 IErMin= 1 ErrMin= 1.41D-03 ErrMax= 1.41D-03 EMaxC= 1.00D-01 BMatC= 9.53D-05 BMatP= 9.53D-05 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.41D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.089 Goal= None Shift= 0.000 GapD= 0.089 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.74D-04 MaxDP=8.46D-03 OVMax= 4.27D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.74468869199 Delta-E= -0.000109892121 Rises=F Damp=T DIIS: error= 4.37D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.74468869199 IErMin= 2 ErrMin= 4.37D-04 ErrMax= 4.37D-04 EMaxC= 1.00D-01 BMatC= 6.67D-05 BMatP= 9.53D-05 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.37D-03 Coeff-Com: 0.438D+00 0.562D+00 Coeff-En: 0.377D+00 0.623D+00 Coeff: 0.437D+00 0.563D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=2.39D-04 MaxDP=4.72D-03 DE=-1.10D-04 OVMax= 1.70D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.74501759616 Delta-E= -0.000328904177 Rises=F Damp=F DIIS: error= 3.87D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.74501759616 IErMin= 3 ErrMin= 3.87D-04 ErrMax= 3.87D-04 EMaxC= 1.00D-01 BMatC= 5.88D-05 BMatP= 6.67D-05 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.87D-03 Coeff-Com: 0.268D+00 0.365D+00 0.366D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.267D+00 0.364D+00 0.369D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=6.64D-05 MaxDP=9.03D-04 DE=-3.29D-04 OVMax= 3.30D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.74507889367 Delta-E= -0.000061297507 Rises=F Damp=F DIIS: error= 5.01D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.74507889367 IErMin= 4 ErrMin= 5.01D-05 ErrMax= 5.01D-05 EMaxC= 1.00D-01 BMatC= 1.08D-06 BMatP= 5.88D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.773D-01 0.490D-01 0.822D-01 0.792D+00 Coeff: 0.773D-01 0.490D-01 0.822D-01 0.792D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=2.96D-05 MaxDP=7.32D-04 DE=-6.13D-05 OVMax= 7.37D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.74508004294 Delta-E= -0.000001149265 Rises=F Damp=F DIIS: error= 4.34D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.74508004294 IErMin= 5 ErrMin= 4.34D-05 ErrMax= 4.34D-05 EMaxC= 1.00D-01 BMatC= 1.27D-06 BMatP= 1.08D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.258D-01-0.507D-02 0.535D-03 0.542D+00 0.437D+00 Coeff: 0.258D-01-0.507D-02 0.535D-03 0.542D+00 0.437D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=1.18D-05 MaxDP=2.54D-04 DE=-1.15D-06 OVMax= 2.74D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.74508074135 Delta-E= -0.000000698416 Rises=F Damp=F DIIS: error= 2.56D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.74508074135 IErMin= 6 ErrMin= 2.56D-05 ErrMax= 2.56D-05 EMaxC= 1.00D-01 BMatC= 3.30D-07 BMatP= 1.08D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.129D-02-0.106D-01-0.251D-01 0.159D+00 0.364D+00 0.511D+00 Coeff: 0.129D-02-0.106D-01-0.251D-01 0.159D+00 0.364D+00 0.511D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=5.88D-06 MaxDP=1.28D-04 DE=-6.98D-07 OVMax= 1.43D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.74508095178 Delta-E= -0.000000210429 Rises=F Damp=F DIIS: error= 1.15D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.74508095178 IErMin= 7 ErrMin= 1.15D-05 ErrMax= 1.15D-05 EMaxC= 1.00D-01 BMatC= 6.80D-08 BMatP= 3.30D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.108D-02-0.791D-02-0.201D-01 0.746D-01 0.251D+00 0.407D+00 Coeff-Com: 0.296D+00 Coeff: -0.108D-02-0.791D-02-0.201D-01 0.746D-01 0.251D+00 0.407D+00 Coeff: 0.296D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=2.32D-06 MaxDP=5.29D-05 DE=-2.10D-07 OVMax= 9.66D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.74508101328 Delta-E= -0.000000061494 Rises=F Damp=F DIIS: error= 2.53D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.74508101328 IErMin= 8 ErrMin= 2.53D-06 ErrMax= 2.53D-06 EMaxC= 1.00D-01 BMatC= 2.75D-09 BMatP= 6.80D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.587D-03-0.355D-02-0.873D-02 0.247D-01 0.107D+00 0.187D+00 Coeff-Com: 0.191D+00 0.502D+00 Coeff: -0.587D-03-0.355D-02-0.873D-02 0.247D-01 0.107D+00 0.187D+00 Coeff: 0.191D+00 0.502D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=6.82D-07 MaxDP=1.05D-05 DE=-6.15D-08 OVMax= 3.88D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.74508101560 Delta-E= -0.000000002322 Rises=F Damp=F DIIS: error= 1.61D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.74508101560 IErMin= 9 ErrMin= 1.61D-06 ErrMax= 1.61D-06 EMaxC= 1.00D-01 BMatC= 4.69D-10 BMatP= 2.75D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.186D-03-0.569D-03-0.938D-03-0.312D-02 0.703D-02 0.222D-01 Coeff-Com: 0.599D-01 0.318D+00 0.597D+00 Coeff: -0.186D-03-0.569D-03-0.938D-03-0.312D-02 0.703D-02 0.222D-01 Coeff: 0.599D-01 0.318D+00 0.597D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=3.33D-07 MaxDP=6.40D-06 DE=-2.32D-09 OVMax= 1.76D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.74508101637 Delta-E= -0.000000000769 Rises=F Damp=F DIIS: error= 5.10D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.74508101637 IErMin=10 ErrMin= 5.10D-07 ErrMax= 5.10D-07 EMaxC= 1.00D-01 BMatC= 8.69D-11 BMatP= 4.69D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.550D-04 0.638D-05 0.264D-03-0.462D-02-0.657D-02-0.526D-02 Coeff-Com: 0.189D-01 0.171D+00 0.370D+00 0.457D+00 Coeff: -0.550D-04 0.638D-05 0.264D-03-0.462D-02-0.657D-02-0.526D-02 Coeff: 0.189D-01 0.171D+00 0.370D+00 0.457D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=1.21D-07 MaxDP=4.64D-06 DE=-7.69D-10 OVMax= 2.67D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.74508101643 Delta-E= -0.000000000062 Rises=F Damp=F DIIS: error= 2.18D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.74508101643 IErMin=11 ErrMin= 2.18D-07 ErrMax= 2.18D-07 EMaxC= 1.00D-01 BMatC= 2.62D-11 BMatP= 8.69D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.448D-05 0.146D-03 0.366D-03-0.255D-02-0.612D-02-0.910D-02 Coeff-Com: -0.191D-02 0.508D-01 0.120D+00 0.354D+00 0.495D+00 Coeff: 0.448D-05 0.146D-03 0.366D-03-0.255D-02-0.612D-02-0.910D-02 Coeff: -0.191D-02 0.508D-01 0.120D+00 0.354D+00 0.495D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=5.91D-08 MaxDP=1.58D-06 DE=-6.23D-11 OVMax= 1.81D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.74508101645 Delta-E= -0.000000000023 Rises=F Damp=F DIIS: error= 7.44D-08 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.74508101645 IErMin=12 ErrMin= 7.44D-08 ErrMax= 7.44D-08 EMaxC= 1.00D-01 BMatC= 2.50D-12 BMatP= 2.62D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.911D-05 0.908D-04 0.196D-03-0.115D-02-0.313D-02-0.516D-02 Coeff-Com: -0.275D-02 0.173D-01 0.380D-01 0.183D+00 0.325D+00 0.449D+00 Coeff: 0.911D-05 0.908D-04 0.196D-03-0.115D-02-0.313D-02-0.516D-02 Coeff: -0.275D-02 0.173D-01 0.380D-01 0.183D+00 0.325D+00 0.449D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=1.97D-08 MaxDP=3.70D-07 DE=-2.32D-11 OVMax= 4.03D-07 Cycle 13 Pass 1 IDiag 1: E= -1682.74508101646 Delta-E= -0.000000000005 Rises=F Damp=F DIIS: error= 4.58D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.74508101646 IErMin=13 ErrMin= 4.58D-08 ErrMax= 4.58D-08 EMaxC= 1.00D-01 BMatC= 8.78D-13 BMatP= 2.50D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.731D-05 0.316D-04 0.512D-04-0.172D-03-0.729D-03-0.147D-02 Coeff-Com: -0.166D-02-0.153D-02-0.698D-02 0.353D-01 0.105D+00 0.381D+00 Coeff-Com: 0.491D+00 Coeff: 0.731D-05 0.316D-04 0.512D-04-0.172D-03-0.729D-03-0.147D-02 Coeff: -0.166D-02-0.153D-02-0.698D-02 0.353D-01 0.105D+00 0.381D+00 Coeff: 0.491D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=9.70D-09 MaxDP=1.60D-07 DE=-4.55D-12 OVMax= 2.56D-07 SCF Done: E(RB+HF-LYP) = -1682.74508102 A.U. after 13 cycles Convg = 0.9701D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132158228271D+03 PE=-8.258317569512D+03 EE= 3.369277315284D+03 Leave Link 502 at Mon Apr 14 13:55:39 2008, MaxMem= 1258291200 cpu: 128.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.15278416D+02 **** Warning!!: The smallest alpha delta epsilon is 0.87868554D-01 Leave Link 801 at Mon Apr 14 13:55:39 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Mon Apr 14 13:55:46 2008, MaxMem= 1258291200 cpu: 20.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 10. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Mon Apr 14 13:55:47 2008, MaxMem= 1258291200 cpu: 0.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291118. G2DrvN: will do 11 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Mon Apr 14 13:56:55 2008, MaxMem= 1258291200 cpu: 260.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: Closed-shell wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291118 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 246256364. 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. 1 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 9.02D-16 Conv= 1.00D-12. Inverted reduced A of dimension 52 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.282019D+03 2 -0.224281D+02 0.363528D+03 3 -0.475573D+01 0.239505D+02 0.265986D+03 Isotropic polarizability for W= 0.000000 303.84 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Mon Apr 14 13:58:08 2008, MaxMem= 1258291200 cpu: 258.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27548 -10.35626 -4.34955 -4.30843 -4.29341 Alpha occ. eigenvalues -- -4.29316 -4.28942 -4.28491 -4.28442 -4.27248 Alpha occ. eigenvalues -- -2.86126 -2.85336 -2.85253 -2.81686 -2.81462 Alpha occ. eigenvalues -- -2.81428 -2.80208 -2.80096 -2.80088 -2.80049 Alpha occ. eigenvalues -- -2.79955 -2.79918 -2.79782 -2.79656 -2.79563 Alpha occ. eigenvalues -- -2.79424 -2.79373 -2.79137 -2.79098 -2.79094 Alpha occ. eigenvalues -- -2.79062 -2.78259 -2.77980 -2.77732 -1.19199 Alpha occ. eigenvalues -- -0.59045 -0.48699 -0.48686 -0.48071 -0.36023 Alpha occ. eigenvalues -- -0.34445 -0.33546 -0.33025 -0.32822 -0.32518 Alpha occ. eigenvalues -- -0.31901 -0.30893 -0.30725 -0.30661 -0.30311 Alpha occ. eigenvalues -- -0.29947 -0.29039 -0.28894 -0.28760 -0.28431 Alpha occ. eigenvalues -- -0.28280 -0.27914 -0.27568 -0.27515 -0.27142 Alpha occ. eigenvalues -- -0.26989 -0.26811 -0.26564 -0.26527 -0.26402 Alpha occ. eigenvalues -- -0.26167 -0.26024 -0.25947 -0.25703 -0.25686 Alpha occ. eigenvalues -- -0.25600 -0.25453 -0.25380 -0.25343 -0.25122 Alpha occ. eigenvalues -- -0.24884 -0.24734 -0.24611 -0.24552 -0.24114 Alpha occ. eigenvalues -- -0.20808 -0.20489 -0.18452 Alpha virt. eigenvalues -- -0.09665 -0.08719 -0.07838 -0.06913 -0.06234 Alpha virt. eigenvalues -- -0.05349 -0.03953 -0.03202 -0.00872 -0.00396 Alpha virt. eigenvalues -- -0.00203 0.01920 0.02222 0.02356 0.02644 Alpha virt. eigenvalues -- 0.03270 0.03375 0.03545 0.03871 0.04276 Alpha virt. eigenvalues -- 0.04445 0.04818 0.05325 0.05694 0.06797 Alpha virt. eigenvalues -- 0.07090 0.07593 0.07699 0.08222 0.08436 Alpha virt. eigenvalues -- 0.08656 0.08955 0.09197 0.09297 0.09877 Alpha virt. eigenvalues -- 0.10100 0.10985 0.12076 0.12260 0.15432 Alpha virt. eigenvalues -- 0.17485 0.19476 0.20194 0.20488 0.22144 Alpha virt. eigenvalues -- 0.24235 0.25541 0.26716 0.26982 0.27970 Alpha virt. eigenvalues -- 0.28674 0.29302 0.31101 0.32206 0.34047 Alpha virt. eigenvalues -- 0.37626 0.40459 0.52977 0.62653 0.63058 Alpha virt. eigenvalues -- 0.64235 0.66970 0.67329 0.67396 0.71057 Alpha virt. eigenvalues -- 0.71730 0.73491 0.74926 0.76363 0.77719 Alpha virt. eigenvalues -- 0.79070 0.79596 0.81028 0.82363 0.85111 Alpha virt. eigenvalues -- 0.86112 0.86831 0.88564 0.90030 0.90205 Alpha virt. eigenvalues -- 0.94112 0.95998 1.00124 1.02361 1.03459 Alpha virt. eigenvalues -- 1.05011 1.05487 1.08008 1.10534 1.12424 Alpha virt. eigenvalues -- 1.13785 1.19967 1.24052 1.27478 1.27899 Alpha virt. eigenvalues -- 1.28876 1.30791 1.31012 1.31976 1.32800 Alpha virt. eigenvalues -- 1.34910 1.43181 1.58112 1.68659 1.71855 Alpha virt. eigenvalues -- 1.88133 2.06032 2.63746 2.75434 4.05916 Alpha virt. eigenvalues -- 10.64369 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 20.585286 -0.605011 -0.208527 -0.220332 -0.313329 -0.280928 2 Cu -0.605011 19.367041 -0.061334 -0.056283 0.054621 0.111038 3 Cu -0.208527 -0.061334 19.168530 0.014995 0.063553 -0.033924 4 Cu -0.220332 -0.056283 0.014995 19.186766 0.079998 -0.025565 5 Cu -0.313329 0.054621 0.063553 0.079998 19.022868 0.051848 6 Cu -0.280928 0.111038 -0.033924 -0.025565 0.051848 19.128224 7 Cu -0.327770 0.055238 0.083781 0.068719 0.072697 0.056480 8 Cu -0.355762 0.002719 0.093269 0.101633 0.050203 0.078444 9 C 0.074702 0.118419 -0.002847 -0.002638 -0.000169 -0.015678 10 O 0.005405 0.036529 -0.009401 -0.009759 -0.004947 0.000258 7 8 9 10 1 Cu -0.327770 -0.355762 0.074702 0.005405 2 Cu 0.055238 0.002719 0.118419 0.036529 3 Cu 0.083781 0.093269 -0.002847 -0.009401 4 Cu 0.068719 0.101633 -0.002638 -0.009759 5 Cu 0.072697 0.050203 -0.000169 -0.004947 6 Cu 0.056480 0.078444 -0.015678 0.000258 7 Cu 19.069876 0.074637 -0.000564 -0.005739 8 Cu 0.074637 19.068462 -0.001309 0.000037 9 C -0.000564 -0.001309 5.148684 0.560937 10 O -0.005739 0.000037 0.560937 7.517578 Mulliken atomic charges: 1 1 Cu 0.646267 2 Cu -0.022975 3 Cu -0.108094 4 Cu -0.137532 5 Cu -0.077343 6 Cu -0.070197 7 Cu -0.147355 8 Cu -0.112334 9 C 0.120463 10 O -0.090900 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.646267 2 Cu -0.022975 3 Cu -0.108094 4 Cu -0.137532 5 Cu -0.077343 6 Cu -0.070197 7 Cu -0.147355 8 Cu -0.112334 9 C 0.120463 10 O -0.090900 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.094039 2 Cu -0.121842 3 Cu -0.053674 4 Cu -0.081229 5 Cu -0.008122 6 Cu 0.062862 7 Cu -0.060116 8 Cu -0.031070 9 C 1.137190 10 O -0.938039 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.094039 2 Cu -0.121842 3 Cu -0.053674 4 Cu -0.081229 5 Cu -0.008122 6 Cu 0.062862 7 Cu -0.060116 8 Cu -0.031070 9 C 1.137190 10 O -0.938039 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4213.9128 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 1.3000 Y= -0.1142 Z= 0.1385 Tot= 1.3123 Quadrupole moment (field-independent basis, Debye-Ang): XX= -110.6630 YY= -115.4889 ZZ= -116.4524 XY= -0.3174 XZ= 1.8277 YZ= -1.1668 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 3.5384 YY= -1.2875 ZZ= -2.2510 XY= -0.3174 XZ= 1.8277 YZ= -1.1668 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 35.7772 YYY= 303.0367 ZZZ= -110.7732 XYY= 0.3612 XXY= 82.6574 XXZ= -29.2284 XZZ= 13.1354 YZZ= 97.1180 YYZ= -23.4599 XYZ= -5.9151 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1129.9744 YYYY= -3206.5532 ZZZZ= -1039.2505 XXXY= 168.4195 XXXZ= 46.4611 YYYX= 206.1342 YYYZ= -154.4243 ZZZX= 51.3798 ZZZY= -72.9057 XXYY= -689.5911 XXZZ= -340.9759 YYZZ= -668.0026 XXYZ= -46.9677 YYXZ= 17.7188 ZZXY= 42.5082 N-N= 2.074136944940D+03 E-N=-8.258317579491D+03 KE= 1.132158228271D+03 Exact polarizability: 282.019 -22.428 363.528 -4.756 23.950 265.986 Approx polarizability: 626.298 -48.271 812.599 -9.556 36.915 595.424 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon Apr 14 13:58:09 2008, MaxMem= 1258291200 cpu: 1.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 5.11453408D-01-4.49111280D-02 5.44939613D-02 Polarizability= 2.82018766D+02-2.24280986D+01 3.63527505D+02 -4.75572875D+00 2.39504667D+01 2.65985752D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000349756 -0.000111501 0.001290118 2 29 -0.000078904 0.000978823 -0.001073716 3 29 0.000036888 0.000029104 0.000059144 4 29 0.000120676 0.000173379 0.000049256 5 29 0.000038447 0.000014846 -0.000234170 6 29 -0.000037794 -0.000518092 -0.000508112 7 29 -0.000200841 -0.000126152 -0.000278116 8 29 0.000256667 -0.000138154 0.000074637 9 6 0.000771458 -0.001277729 0.000351350 10 8 -0.000556841 0.000975477 0.000269610 ------------------------------------------------------------------- Cartesian Forces: Max 0.001290118 RMS 0.000531140 Leave Link 716 at Mon Apr 14 13:58:09 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= 2. Leave Link 106 at Mon Apr 14 13:58:09 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. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2074.0924805540 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 10 NActive= 10 NUniq= 10 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Mon Apr 14 13:58:10 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= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 194 RedAO= T NBF= 194 NBsUse= 194 1.00D-06 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 615 NPtTot= 106536 NUsed= 110882 NTot= 110914 NSgBfM= 210 210 210 210. Leave Link 302 at Mon Apr 14 13:58:14 2008, MaxMem= 1258291200 cpu: 8.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2073.6427643755 hartrees. Leave Link 303 at Mon Apr 14 13:58:14 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. Leave Link 401 at Mon Apr 14 13:58:15 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 110881 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234528. IEnd= 284564 IEndB= 284564 NGot=1258291200 MDV=1012634483 LenX=1012634483 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= -1682.74462127307 DIIS: error= 1.44D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.74462127307 IErMin= 1 ErrMin= 1.44D-03 ErrMax= 1.44D-03 EMaxC= 1.00D-01 BMatC= 1.13D-04 BMatP= 1.13D-04 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.44D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.094 Goal= None Shift= 0.000 GapD= 0.094 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=5.29D-04 MaxDP=8.37D-03 OVMax= 5.30D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.74477031447 Delta-E= -0.000149041393 Rises=F Damp=T DIIS: error= 5.68D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.74477031447 IErMin= 2 ErrMin= 5.68D-04 ErrMax= 5.68D-04 EMaxC= 1.00D-01 BMatC= 8.17D-05 BMatP= 1.13D-04 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.68D-03 Coeff-Com: 0.440D+00 0.560D+00 Coeff-En: 0.369D+00 0.631D+00 Coeff: 0.439D+00 0.561D+00 Gap= 0.091 Goal= None Shift= 0.000 RMSDP=2.28D-04 MaxDP=6.11D-03 DE=-1.49D-04 OVMax= 2.36D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.74520122463 Delta-E= -0.000430910162 Rises=F Damp=F DIIS: error= 3.78D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.74520122463 IErMin= 3 ErrMin= 3.78D-04 ErrMax= 3.78D-04 EMaxC= 1.00D-01 BMatC= 4.93D-05 BMatP= 8.17D-05 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.78D-03 Coeff-Com: 0.289D+00 0.285D+00 0.426D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.288D+00 0.284D+00 0.428D+00 Gap= 0.090 Goal= None Shift= 0.000 RMSDP=8.00D-05 MaxDP=1.65D-03 DE=-4.31D-04 OVMax= 3.58D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.74525778115 Delta-E= -0.000056556522 Rises=F Damp=F DIIS: error= 1.89D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.74525778115 IErMin= 4 ErrMin= 1.89D-04 ErrMax= 1.89D-04 EMaxC= 1.00D-01 BMatC= 1.23D-05 BMatP= 4.93D-05 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.89D-03 Coeff-Com: 0.135D+00 0.410D-02 0.289D+00 0.572D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.135D+00 0.409D-02 0.289D+00 0.572D+00 Gap= 0.089 Goal= None Shift= 0.000 RMSDP=3.75D-05 MaxDP=7.62D-04 DE=-5.66D-05 OVMax= 1.56D-03 Cycle 5 Pass 1 IDiag 1: E= -1682.74526621996 Delta-E= -0.000008438810 Rises=F Damp=F DIIS: error= 1.37D-04 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.74526621996 IErMin= 5 ErrMin= 1.37D-04 ErrMax= 1.37D-04 EMaxC= 1.00D-01 BMatC= 4.84D-06 BMatP= 1.23D-05 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.37D-03 Coeff-Com: 0.733D-01-0.371D-01 0.152D+00 0.450D+00 0.361D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.234D+00 0.766D+00 Coeff: 0.732D-01-0.370D-01 0.152D+00 0.450D+00 0.362D+00 Gap= 0.089 Goal= None Shift= 0.000 RMSDP=1.91D-05 MaxDP=5.03D-04 DE=-8.44D-06 OVMax= 4.84D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.74526930285 Delta-E= -0.000003082886 Rises=F Damp=F DIIS: error= 3.61D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.74526930285 IErMin= 6 ErrMin= 3.61D-05 ErrMax= 3.61D-05 EMaxC= 1.00D-01 BMatC= 6.18D-07 BMatP= 4.84D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.155D-01-0.215D-01 0.117D-01 0.142D+00 0.296D+00 0.556D+00 Coeff: 0.155D-01-0.215D-01 0.117D-01 0.142D+00 0.296D+00 0.556D+00 Gap= 0.089 Goal= None Shift= 0.000 RMSDP=8.36D-06 MaxDP=2.32D-04 DE=-3.08D-06 OVMax= 2.49D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.74526981074 Delta-E= -0.000000507895 Rises=F Damp=F DIIS: error= 2.20D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.74526981074 IErMin= 7 ErrMin= 2.20D-05 ErrMax= 2.20D-05 EMaxC= 1.00D-01 BMatC= 8.69D-08 BMatP= 6.18D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.383D-02-0.114D-01-0.871D-02 0.524D-01 0.190D+00 0.400D+00 Coeff-Com: 0.373D+00 Coeff: 0.383D-02-0.114D-01-0.871D-02 0.524D-01 0.190D+00 0.400D+00 Coeff: 0.373D+00 Gap= 0.089 Goal= None Shift= 0.000 RMSDP=3.06D-06 MaxDP=9.40D-05 DE=-5.08D-07 OVMax= 6.54D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.74526987768 Delta-E= -0.000000066937 Rises=F Damp=F DIIS: error= 4.15D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.74526987768 IErMin= 8 ErrMin= 4.15D-06 ErrMax= 4.15D-06 EMaxC= 1.00D-01 BMatC= 5.38D-09 BMatP= 8.69D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.386D-03-0.231D-02-0.683D-02 0.138D-02 0.573D-01 0.119D+00 Coeff-Com: 0.222D+00 0.610D+00 Coeff: -0.386D-03-0.231D-02-0.683D-02 0.138D-02 0.573D-01 0.119D+00 Coeff: 0.222D+00 0.610D+00 Gap= 0.089 Goal= None Shift= 0.000 RMSDP=1.14D-06 MaxDP=2.41D-05 DE=-6.69D-08 OVMax= 5.48D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.74526988362 Delta-E= -0.000000005943 Rises=F Damp=F DIIS: error= 1.76D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.74526988362 IErMin= 9 ErrMin= 1.76D-06 ErrMax= 1.76D-06 EMaxC= 1.00D-01 BMatC= 1.16D-09 BMatP= 5.38D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.687D-03-0.572D-03-0.414D-02-0.418D-02 0.192D-01 0.416D-01 Coeff-Com: 0.105D+00 0.396D+00 0.448D+00 Coeff: -0.687D-03-0.572D-03-0.414D-02-0.418D-02 0.192D-01 0.416D-01 Coeff: 0.105D+00 0.396D+00 0.448D+00 Gap= 0.089 Goal= None Shift= 0.000 RMSDP=4.94D-07 MaxDP=1.05D-05 DE=-5.94D-09 OVMax= 1.57D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.74526988504 Delta-E= -0.000000001421 Rises=F Damp=F DIIS: error= 1.01D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.74526988504 IErMin=10 ErrMin= 1.01D-06 ErrMax= 1.01D-06 EMaxC= 1.00D-01 BMatC= 3.91D-10 BMatP= 1.16D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.507D-03 0.450D-04-0.197D-02-0.428D-02 0.215D-02 0.514D-02 Coeff-Com: 0.408D-01 0.214D+00 0.338D+00 0.406D+00 Coeff: -0.507D-03 0.450D-04-0.197D-02-0.428D-02 0.215D-02 0.514D-02 Coeff: 0.408D-01 0.214D+00 0.338D+00 0.406D+00 Gap= 0.089 Goal= None Shift= 0.000 RMSDP=1.83D-07 MaxDP=9.13D-06 DE=-1.42D-09 OVMax= 4.20D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.74526988531 Delta-E= -0.000000000271 Rises=F Damp=F DIIS: error= 2.08D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.74526988531 IErMin=11 ErrMin= 2.08D-07 ErrMax= 2.08D-07 EMaxC= 1.00D-01 BMatC= 2.75D-11 BMatP= 3.91D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.727D-04 0.548D-04-0.173D-03-0.122D-02-0.262D-02-0.631D-02 Coeff-Com: 0.125D-03 0.342D-01 0.832D-01 0.227D+00 0.666D+00 Coeff: -0.727D-04 0.548D-04-0.173D-03-0.122D-02-0.262D-02-0.631D-02 Coeff: 0.125D-03 0.342D-01 0.832D-01 0.227D+00 0.666D+00 Gap= 0.089 Goal= None Shift= 0.000 RMSDP=8.19D-08 MaxDP=1.97D-06 DE=-2.71D-10 OVMax= 3.42D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.74526988534 Delta-E= -0.000000000026 Rises=F Damp=F DIIS: error= 1.61D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.74526988534 IErMin=12 ErrMin= 1.61D-07 ErrMax= 1.61D-07 EMaxC= 1.00D-01 BMatC= 1.50D-11 BMatP= 2.75D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.393D-04 0.201D-04 0.195D-03-0.213D-03-0.228D-02-0.550D-02 Coeff-Com: -0.629D-02-0.867D-02 0.874D-02 0.104D+00 0.516D+00 0.394D+00 Coeff: 0.393D-04 0.201D-04 0.195D-03-0.213D-03-0.228D-02-0.550D-02 Coeff: -0.629D-02-0.867D-02 0.874D-02 0.104D+00 0.516D+00 0.394D+00 Gap= 0.089 Goal= None Shift= 0.000 RMSDP=3.87D-08 MaxDP=9.31D-07 DE=-2.64D-11 OVMax= 9.42D-07 Cycle 13 Pass 1 IDiag 1: E= -1682.74526988534 Delta-E= -0.000000000002 Rises=F Damp=F DIIS: error= 4.01D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.74526988534 IErMin=13 ErrMin= 4.01D-08 ErrMax= 4.01D-08 EMaxC= 1.00D-01 BMatC= 8.58D-13 BMatP= 1.50D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.315D-04-0.186D-05 0.121D-03 0.389D-04-0.853D-03-0.190D-02 Coeff-Com: -0.334D-02-0.845D-02-0.479D-02 0.184D-01 0.166D+00 0.233D+00 Coeff-Com: 0.601D+00 Coeff: 0.315D-04-0.186D-05 0.121D-03 0.389D-04-0.853D-03-0.190D-02 Coeff: -0.334D-02-0.845D-02-0.479D-02 0.184D-01 0.166D+00 0.233D+00 Coeff: 0.601D+00 Gap= 0.089 Goal= None Shift= 0.000 RMSDP=1.63D-08 MaxDP=3.59D-07 DE=-2.27D-12 OVMax= 7.09D-07 Cycle 14 Pass 1 IDiag 1: E= -1682.74526988535 Delta-E= -0.000000000003 Rises=F Damp=F DIIS: error= 2.84D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1682.74526988535 IErMin=14 ErrMin= 2.84D-08 ErrMax= 2.84D-08 EMaxC= 1.00D-01 BMatC= 2.34D-13 BMatP= 8.58D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.179D-04-0.474D-05 0.586D-04 0.644D-04-0.296D-03-0.619D-03 Coeff-Com: -0.167D-02-0.477D-02-0.506D-02 0.103D-02 0.514D-01 0.108D+00 Coeff-Com: 0.412D+00 0.440D+00 Coeff: 0.179D-04-0.474D-05 0.586D-04 0.644D-04-0.296D-03-0.619D-03 Coeff: -0.167D-02-0.477D-02-0.506D-02 0.103D-02 0.514D-01 0.108D+00 Coeff: 0.412D+00 0.440D+00 Gap= 0.089 Goal= None Shift= 0.000 RMSDP=7.17D-09 MaxDP=1.63D-07 DE=-2.73D-12 OVMax= 3.51D-07 SCF Done: E(RB+HF-LYP) = -1682.74526989 A.U. after 14 cycles Convg = 0.7173D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132145751644D+03 PE=-8.257781860605D+03 EE= 3.369248074701D+03 Leave Link 502 at Mon Apr 14 13:58:55 2008, MaxMem= 1258291200 cpu: 136.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.16003346D+02 **** Warning!!: The smallest alpha delta epsilon is 0.89325088D-01 Leave Link 801 at Mon Apr 14 13:58:55 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Mon Apr 14 13:59:03 2008, MaxMem= 1258291200 cpu: 20.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 10. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Mon Apr 14 13:59:03 2008, MaxMem= 1258291200 cpu: 0.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291118. G2DrvN: will do 11 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Mon Apr 14 14:00:14 2008, MaxMem= 1258291200 cpu: 262.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: Closed-shell wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291118 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 246256364. 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. 1 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 7.28D-16 Conv= 1.00D-12. Inverted reduced A of dimension 52 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.281016D+03 2 -0.235501D+02 0.364975D+03 3 -0.436340D+01 0.240933D+02 0.267348D+03 Isotropic polarizability for W= 0.000000 304.45 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Mon Apr 14 14:01:26 2008, MaxMem= 1258291200 cpu: 250.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27030 -10.35088 -4.34580 -4.30608 -4.29104 Alpha occ. eigenvalues -- -4.29052 -4.28751 -4.28216 -4.28159 -4.27096 Alpha occ. eigenvalues -- -2.85743 -2.84969 -2.84887 -2.81455 -2.81222 Alpha occ. eigenvalues -- -2.81193 -2.79962 -2.79857 -2.79832 -2.79790 Alpha occ. eigenvalues -- -2.79713 -2.79657 -2.79588 -2.79462 -2.79366 Alpha occ. eigenvalues -- -2.79150 -2.79091 -2.78863 -2.78831 -2.78812 Alpha occ. eigenvalues -- -2.78773 -2.78108 -2.77823 -2.77578 -1.18608 Alpha occ. eigenvalues -- -0.58399 -0.48064 -0.48051 -0.47549 -0.35760 Alpha occ. eigenvalues -- -0.34120 -0.33227 -0.32704 -0.32478 -0.32215 Alpha occ. eigenvalues -- -0.31609 -0.30652 -0.30474 -0.30414 -0.30047 Alpha occ. eigenvalues -- -0.29708 -0.28785 -0.28664 -0.28500 -0.28170 Alpha occ. eigenvalues -- -0.28072 -0.27677 -0.27324 -0.27274 -0.26899 Alpha occ. eigenvalues -- -0.26732 -0.26550 -0.26316 -0.26277 -0.26164 Alpha occ. eigenvalues -- -0.25917 -0.25769 -0.25675 -0.25432 -0.25420 Alpha occ. eigenvalues -- -0.25337 -0.25215 -0.25165 -0.25115 -0.24913 Alpha occ. eigenvalues -- -0.24682 -0.24500 -0.24437 -0.24352 -0.23928 Alpha occ. eigenvalues -- -0.20638 -0.20183 -0.18222 Alpha virt. eigenvalues -- -0.09289 -0.08257 -0.07557 -0.06563 -0.06064 Alpha virt. eigenvalues -- -0.05245 -0.03691 -0.02980 -0.00403 -0.00190 Alpha virt. eigenvalues -- -0.00094 0.02312 0.02346 0.02676 0.02710 Alpha virt. eigenvalues -- 0.03242 0.03828 0.03892 0.04074 0.04440 Alpha virt. eigenvalues -- 0.04631 0.05286 0.05584 0.05829 0.07134 Alpha virt. eigenvalues -- 0.07261 0.07631 0.07770 0.08759 0.08825 Alpha virt. eigenvalues -- 0.08870 0.09057 0.09101 0.09479 0.09972 Alpha virt. eigenvalues -- 0.10181 0.11046 0.12239 0.12385 0.15607 Alpha virt. eigenvalues -- 0.18108 0.19803 0.20463 0.20700 0.22673 Alpha virt. eigenvalues -- 0.24500 0.25737 0.26977 0.27204 0.28182 Alpha virt. eigenvalues -- 0.28843 0.29544 0.31274 0.32499 0.34311 Alpha virt. eigenvalues -- 0.38273 0.41182 0.53703 0.62978 0.63358 Alpha virt. eigenvalues -- 0.64611 0.67241 0.67681 0.68176 0.71453 Alpha virt. eigenvalues -- 0.71984 0.74060 0.75200 0.76577 0.77922 Alpha virt. eigenvalues -- 0.79355 0.80012 0.81259 0.82627 0.85337 Alpha virt. eigenvalues -- 0.86464 0.87219 0.88802 0.90313 0.90508 Alpha virt. eigenvalues -- 0.94335 0.96232 1.00338 1.02602 1.03707 Alpha virt. eigenvalues -- 1.05277 1.05764 1.08252 1.10742 1.12624 Alpha virt. eigenvalues -- 1.14025 1.20280 1.24328 1.27745 1.28136 Alpha virt. eigenvalues -- 1.29108 1.31046 1.31219 1.32240 1.33023 Alpha virt. eigenvalues -- 1.35190 1.43467 1.58549 1.69005 1.72181 Alpha virt. eigenvalues -- 1.88323 2.06167 2.64188 2.75373 4.06163 Alpha virt. eigenvalues -- 10.64906 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 20.598021 -0.607704 -0.206123 -0.221942 -0.315032 -0.281165 2 Cu -0.607704 19.359633 -0.060543 -0.054864 0.053057 0.113780 3 Cu -0.206123 -0.060543 19.190927 0.016362 0.063096 -0.038444 4 Cu -0.221942 -0.054864 0.016362 19.171282 0.081006 -0.026877 5 Cu -0.315032 0.053057 0.063096 0.081006 19.040708 0.054233 6 Cu -0.281165 0.113780 -0.038444 -0.026877 0.054233 19.151216 7 Cu -0.337819 0.063255 0.081721 0.068350 0.071633 0.056990 8 Cu -0.355676 0.004152 0.094594 0.101705 0.051460 0.071814 9 C 0.073948 0.115011 -0.002510 -0.002438 0.000023 -0.015888 10 O 0.005663 0.035958 -0.009425 -0.009455 -0.004956 0.000261 7 8 9 10 1 Cu -0.337819 -0.355676 0.073948 0.005663 2 Cu 0.063255 0.004152 0.115011 0.035958 3 Cu 0.081721 0.094594 -0.002510 -0.009425 4 Cu 0.068350 0.101705 -0.002438 -0.009455 5 Cu 0.071633 0.051460 0.000023 -0.004956 6 Cu 0.056990 0.071814 -0.015888 0.000261 7 Cu 19.039560 0.073814 -0.000272 -0.005290 8 Cu 0.073814 19.083157 -0.001463 0.000041 9 C -0.000272 -0.001463 5.147105 0.563821 10 O -0.005290 0.000041 0.563821 7.502674 Mulliken atomic charges: 1 1 Cu 0.647831 2 Cu -0.021736 3 Cu -0.129653 4 Cu -0.123129 5 Cu -0.095227 6 Cu -0.085920 7 Cu -0.111942 8 Cu -0.123599 9 C 0.122664 10 O -0.079290 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.647831 2 Cu -0.021736 3 Cu -0.129653 4 Cu -0.123129 5 Cu -0.095227 6 Cu -0.085920 7 Cu -0.111942 8 Cu -0.123599 9 C 0.122664 10 O -0.079290 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.094658 2 Cu -0.112590 3 Cu -0.071460 4 Cu -0.069911 5 Cu -0.028745 6 Cu 0.044522 7 Cu -0.020291 8 Cu -0.053691 9 C 1.115224 10 O -0.897718 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.094658 2 Cu -0.112590 3 Cu -0.071460 4 Cu -0.069911 5 Cu -0.028745 6 Cu 0.044522 7 Cu -0.020291 8 Cu -0.053691 9 C 1.115224 10 O -0.897718 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4212.2208 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0596 Y= -1.7521 Z= 0.0449 Tot= 1.7537 Quadrupole moment (field-independent basis, Debye-Ang): XX= -110.1269 YY= -113.3331 ZZ= -116.8685 XY= 1.0626 XZ= 1.2201 YZ= -1.6146 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 3.3160 YY= 0.1097 ZZ= -3.4257 XY= 1.0626 XZ= 1.2201 YZ= -1.6146 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 23.3946 YYY= 279.4138 ZZZ= -112.1490 XYY= -2.8281 XXY= 77.6871 XXZ= -29.0165 XZZ= 9.3823 YZZ= 92.4639 YYZ= -25.2422 XYZ= -4.1961 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1121.4015 YYYY= -3146.6752 ZZZZ= -1044.8396 XXXY= 184.7205 XXXZ= 38.6175 YYYX= 213.7689 YYYZ= -156.5722 ZZZX= 47.8112 ZZZY= -77.7505 XXYY= -679.1183 XXZZ= -340.9120 YYZZ= -667.5141 XXYZ= -49.1740 YYXZ= 14.3624 ZZXY= 47.1195 N-N= 2.073642764376D+03 E-N=-8.257781861165D+03 KE= 1.132145751644D+03 Exact polarizability: 281.016 -23.550 364.975 -4.363 24.093 267.348 Approx polarizability: 623.974 -47.164 805.835 -8.088 35.164 597.558 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon Apr 14 14:01:27 2008, MaxMem= 1258291200 cpu: 1.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 2.34594631D-02-6.89326201D-01 1.76594322D-02 Polarizability= 2.81015532D+02-2.35501097D+01 3.64974510D+02 -4.36340270D+00 2.40933052D+01 2.67347962D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000331317 -0.000431299 0.001238032 2 29 -0.000355122 0.001284741 -0.000736264 3 29 0.000056737 0.000495716 0.000185172 4 29 0.000008248 0.000332514 0.000151227 5 29 0.000109243 0.000178699 -0.000373745 6 29 0.000318289 -0.000759124 -0.000700002 7 29 -0.000313297 -0.000071446 -0.000227823 8 29 0.000140935 -0.000032378 0.000115648 9 6 0.001577816 -0.005152789 -0.001226627 10 8 -0.001211533 0.004155365 0.001574381 ------------------------------------------------------------------- Cartesian Forces: Max 0.005152789 RMS 0.001388806 Leave Link 716 at Mon Apr 14 14:01:27 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=2 IStep= 1. Leave Link 106 at Mon Apr 14 14:01:27 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0000 -0.0019 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2074.0924805540 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 10 NActive= 10 NUniq= 10 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Mon Apr 14 14:01:27 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= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 194 RedAO= T NBF= 194 NBsUse= 194 1.00D-06 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 615 NPtTot= 106536 NUsed= 110882 NTot= 110914 NSgBfM= 210 210 210 210. Leave Link 302 at Mon Apr 14 14:01:30 2008, MaxMem= 1258291200 cpu: 9.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2074.5421967324 hartrees. Leave Link 303 at Mon Apr 14 14:01:30 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. Leave Link 401 at Mon Apr 14 14:01:31 2008, MaxMem= 1258291200 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 110881 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234528. IEnd= 284564 IEndB= 284564 NGot=1258291200 MDV=1012634483 LenX=1012634483 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= -1682.74461326433 DIIS: error= 1.44D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.74461326433 IErMin= 1 ErrMin= 1.44D-03 ErrMax= 1.44D-03 EMaxC= 1.00D-01 BMatC= 1.13D-04 BMatP= 1.13D-04 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.44D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.081 Goal= None Shift= 0.000 GapD= 0.081 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=5.47D-04 MaxDP=8.96D-03 OVMax= 5.76D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.74471268930 Delta-E= -0.000099424977 Rises=F Damp=T DIIS: error= 6.51D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.74471268930 IErMin= 2 ErrMin= 6.51D-04 ErrMax= 6.51D-04 EMaxC= 1.00D-01 BMatC= 9.90D-05 BMatP= 1.13D-04 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.51D-03 Coeff-Com: 0.475D+00 0.525D+00 Coeff-En: 0.422D+00 0.578D+00 Coeff: 0.475D+00 0.525D+00 Gap= 0.085 Goal= None Shift= 0.000 RMSDP=2.20D-04 MaxDP=5.96D-03 DE=-9.94D-05 OVMax= 2.71D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.74518709556 Delta-E= -0.000474406253 Rises=F Damp=F DIIS: error= 3.86D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.74518709556 IErMin= 3 ErrMin= 3.86D-04 ErrMax= 3.86D-04 EMaxC= 1.00D-01 BMatC= 4.39D-05 BMatP= 9.90D-05 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.86D-03 Coeff-Com: 0.304D+00 0.232D+00 0.464D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.303D+00 0.231D+00 0.466D+00 Gap= 0.085 Goal= None Shift= 0.000 RMSDP=8.03D-05 MaxDP=2.02D-03 DE=-4.74D-04 OVMax= 4.40D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.74524806275 Delta-E= -0.000060967192 Rises=F Damp=F DIIS: error= 1.99D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.74524806275 IErMin= 4 ErrMin= 1.99D-04 ErrMax= 1.99D-04 EMaxC= 1.00D-01 BMatC= 1.27D-05 BMatP= 4.39D-05 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.99D-03 Coeff-Com: 0.143D+00-0.671D-02 0.313D+00 0.551D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.143D+00-0.669D-02 0.312D+00 0.552D+00 Gap= 0.085 Goal= None Shift= 0.000 RMSDP=3.76D-05 MaxDP=7.93D-04 DE=-6.10D-05 OVMax= 1.28D-03 Cycle 5 Pass 1 IDiag 1: E= -1682.74525681173 Delta-E= -0.000008748978 Rises=F Damp=F DIIS: error= 1.24D-04 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.74525681173 IErMin= 5 ErrMin= 1.24D-04 ErrMax= 1.24D-04 EMaxC= 1.00D-01 BMatC= 3.68D-06 BMatP= 1.27D-05 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.24D-03 Coeff-Com: 0.717D-01-0.382D-01 0.151D+00 0.419D+00 0.396D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.195D+00 0.805D+00 Coeff: 0.716D-01-0.382D-01 0.151D+00 0.419D+00 0.397D+00 Gap= 0.085 Goal= None Shift= 0.000 RMSDP=1.90D-05 MaxDP=5.10D-04 DE=-8.75D-06 OVMax= 4.81D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.74525899713 Delta-E= -0.000002185401 Rises=F Damp=F DIIS: error= 4.71D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.74525899713 IErMin= 6 ErrMin= 4.71D-05 ErrMax= 4.71D-05 EMaxC= 1.00D-01 BMatC= 9.19D-07 BMatP= 3.68D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.212D-01-0.250D-01 0.273D-01 0.182D+00 0.356D+00 0.438D+00 Coeff: 0.212D-01-0.250D-01 0.273D-01 0.182D+00 0.356D+00 0.438D+00 Gap= 0.085 Goal= None Shift= 0.000 RMSDP=7.89D-06 MaxDP=1.64D-04 DE=-2.19D-06 OVMax= 2.50D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.74525971270 Delta-E= -0.000000715569 Rises=F Damp=F DIIS: error= 1.69D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.74525971270 IErMin= 7 ErrMin= 1.69D-05 ErrMax= 1.69D-05 EMaxC= 1.00D-01 BMatC= 9.53D-08 BMatP= 9.19D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.425D-02-0.120D-01-0.696D-02 0.624D-01 0.219D+00 0.295D+00 Coeff-Com: 0.438D+00 Coeff: 0.425D-02-0.120D-01-0.696D-02 0.624D-01 0.219D+00 0.295D+00 Coeff: 0.438D+00 Gap= 0.085 Goal= None Shift= 0.000 RMSDP=3.36D-06 MaxDP=7.08D-05 DE=-7.16D-07 OVMax= 9.09D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.74525978459 Delta-E= -0.000000071896 Rises=F Damp=F DIIS: error= 7.15D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.74525978459 IErMin= 8 ErrMin= 7.15D-06 ErrMax= 7.15D-06 EMaxC= 1.00D-01 BMatC= 1.75D-08 BMatP= 9.53D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.582D-03-0.433D-02-0.761D-02 0.158D-01 0.104D+00 0.130D+00 Coeff-Com: 0.327D+00 0.435D+00 Coeff: 0.582D-03-0.433D-02-0.761D-02 0.158D-01 0.104D+00 0.130D+00 Coeff: 0.327D+00 0.435D+00 Gap= 0.085 Goal= None Shift= 0.000 RMSDP=1.42D-06 MaxDP=2.63D-05 DE=-7.19D-08 OVMax= 6.03D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.74525980189 Delta-E= -0.000000017299 Rises=F Damp=F DIIS: error= 1.75D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.74525980189 IErMin= 9 ErrMin= 1.75D-06 ErrMax= 1.75D-06 EMaxC= 1.00D-01 BMatC= 1.02D-09 BMatP= 1.75D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.473D-03-0.102D-02-0.441D-02-0.587D-03 0.295D-01 0.362D-01 Coeff-Com: 0.120D+00 0.244D+00 0.577D+00 Coeff: -0.473D-03-0.102D-02-0.441D-02-0.587D-03 0.295D-01 0.362D-01 Coeff: 0.120D+00 0.244D+00 0.577D+00 Gap= 0.085 Goal= None Shift= 0.000 RMSDP=5.61D-07 MaxDP=9.34D-06 DE=-1.73D-08 OVMax= 1.71D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.74525980285 Delta-E= -0.000000000956 Rises=F Damp=F DIIS: error= 1.16D-06 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.74525980285 IErMin=10 ErrMin= 1.16D-06 ErrMax= 1.16D-06 EMaxC= 1.00D-01 BMatC= 7.81D-10 BMatP= 1.02D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.505D-03 0.480D-04-0.222D-02-0.430D-02 0.308D-02 0.268D-02 Coeff-Com: 0.412D-01 0.131D+00 0.468D+00 0.361D+00 Coeff: -0.505D-03 0.480D-04-0.222D-02-0.430D-02 0.308D-02 0.268D-02 Coeff: 0.412D-01 0.131D+00 0.468D+00 0.361D+00 Gap= 0.085 Goal= None Shift= 0.000 RMSDP=2.56D-07 MaxDP=9.29D-06 DE=-9.56D-10 OVMax= 6.33D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.74525980347 Delta-E= -0.000000000628 Rises=F Damp=F DIIS: error= 2.23D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.74525980347 IErMin=11 ErrMin= 2.23D-07 ErrMax= 2.23D-07 EMaxC= 1.00D-01 BMatC= 3.68D-11 BMatP= 7.81D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.147D-03 0.796D-04-0.461D-03-0.197D-02-0.323D-02-0.493D-02 Coeff-Com: 0.257D-02 0.333D-01 0.160D+00 0.199D+00 0.615D+00 Coeff: -0.147D-03 0.796D-04-0.461D-03-0.197D-02-0.323D-02-0.493D-02 Coeff: 0.257D-02 0.333D-01 0.160D+00 0.199D+00 0.615D+00 Gap= 0.085 Goal= None Shift= 0.000 RMSDP=7.70D-08 MaxDP=1.11D-06 DE=-6.28D-10 OVMax= 3.79D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.74525980351 Delta-E= -0.000000000035 Rises=F Damp=F DIIS: error= 1.70D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.74525980351 IErMin=12 ErrMin= 1.70D-07 ErrMax= 1.70D-07 EMaxC= 1.00D-01 BMatC= 1.15D-11 BMatP= 3.68D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.303D-04 0.601D-05 0.163D-03-0.349D-03-0.270D-02-0.383D-02 Coeff-Com: -0.637D-02-0.486D-02 0.540D-02 0.648D-01 0.418D+00 0.529D+00 Coeff: 0.303D-04 0.601D-05 0.163D-03-0.349D-03-0.270D-02-0.383D-02 Coeff: -0.637D-02-0.486D-02 0.540D-02 0.648D-01 0.418D+00 0.529D+00 Gap= 0.085 Goal= None Shift= 0.000 RMSDP=4.54D-08 MaxDP=1.36D-06 DE=-3.50D-11 OVMax= 1.66D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.74525980352 Delta-E= -0.000000000011 Rises=F Damp=F DIIS: error= 7.13D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.74525980352 IErMin=13 ErrMin= 7.13D-08 ErrMax= 7.13D-08 EMaxC= 1.00D-01 BMatC= 2.30D-12 BMatP= 1.15D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.406D-04-0.637D-05 0.164D-03-0.399D-04-0.143D-02-0.202D-02 Coeff-Com: -0.441D-02-0.565D-02-0.121D-01 0.203D-01 0.186D+00 0.380D+00 Coeff-Com: 0.439D+00 Coeff: 0.406D-04-0.637D-05 0.164D-03-0.399D-04-0.143D-02-0.202D-02 Coeff: -0.441D-02-0.565D-02-0.121D-01 0.203D-01 0.186D+00 0.380D+00 Coeff: 0.439D+00 Gap= 0.085 Goal= None Shift= 0.000 RMSDP=2.14D-08 MaxDP=4.35D-07 DE=-1.09D-11 OVMax= 9.65D-07 Cycle 14 Pass 1 IDiag 1: E= -1682.74525980352 Delta-E= 0.000000000001 Rises=F Damp=F DIIS: error= 3.56D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=13 EnMin= -1682.74525980352 IErMin=14 ErrMin= 3.56D-08 ErrMax= 3.56D-08 EMaxC= 1.00D-01 BMatC= 2.09D-13 BMatP= 2.30D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.195D-04-0.756D-05 0.613D-04 0.581D-04-0.258D-03-0.339D-03 Coeff-Com: -0.148D-02-0.223D-02-0.914D-02-0.200D-02 0.277D-01 0.103D+00 Coeff-Com: 0.266D+00 0.619D+00 Coeff: 0.195D-04-0.756D-05 0.613D-04 0.581D-04-0.258D-03-0.339D-03 Coeff: -0.148D-02-0.223D-02-0.914D-02-0.200D-02 0.277D-01 0.103D+00 Coeff: 0.266D+00 0.619D+00 Gap= 0.085 Goal= None Shift= 0.000 RMSDP=9.24D-09 MaxDP=1.51D-07 DE= 1.36D-12 OVMax= 5.49D-07 SCF Done: E(RB+HF-LYP) = -1682.74525980 A.U. after 14 cycles Convg = 0.9241D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132178087100D+03 PE=-8.258815476635D+03 EE= 3.369349932999D+03 Leave Link 502 at Mon Apr 14 14:02:13 2008, MaxMem= 1258291200 cpu: 134.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.15307493D+02 **** Warning!!: The smallest alpha delta epsilon is 0.85305968D-01 Leave Link 801 at Mon Apr 14 14:02:14 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Mon Apr 14 14:02:20 2008, MaxMem= 1258291200 cpu: 21.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 10. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Mon Apr 14 14:02:21 2008, MaxMem= 1258291200 cpu: 0.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291118. G2DrvN: will do 11 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Mon Apr 14 14:03:27 2008, MaxMem= 1258291200 cpu: 260.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: Closed-shell wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291118 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 246256364. 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. 2 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 1.00D-15 Conv= 1.00D-12. Inverted reduced A of dimension 53 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.281691D+03 2 -0.221297D+02 0.361436D+03 3 -0.350751D+01 0.230991D+02 0.264430D+03 Isotropic polarizability for W= 0.000000 302.52 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Mon Apr 14 14:04:42 2008, MaxMem= 1258291200 cpu: 265.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.28102 -10.36204 -4.35295 -4.30956 -4.29517 Alpha occ. eigenvalues -- -4.29476 -4.29015 -4.28689 -4.28657 -4.27236 Alpha occ. eigenvalues -- -2.86479 -2.85663 -2.85578 -2.81792 -2.81580 Alpha occ. eigenvalues -- -2.81543 -2.80376 -2.80268 -2.80249 -2.80216 Alpha occ. eigenvalues -- -2.80129 -2.80081 -2.79856 -2.79730 -2.79643 Alpha occ. eigenvalues -- -2.79620 -2.79587 -2.79337 -2.79308 -2.79303 Alpha occ. eigenvalues -- -2.79266 -2.78245 -2.77979 -2.77726 -1.19869 Alpha occ. eigenvalues -- -0.59815 -0.49445 -0.49432 -0.48635 -0.36201 Alpha occ. eigenvalues -- -0.34711 -0.33803 -0.33289 -0.33114 -0.32767 Alpha occ. eigenvalues -- -0.32104 -0.31024 -0.30869 -0.30814 -0.30470 Alpha occ. eigenvalues -- -0.30094 -0.29207 -0.29025 -0.28927 -0.28609 Alpha occ. eigenvalues -- -0.28374 -0.28047 -0.27723 -0.27658 -0.27281 Alpha occ. eigenvalues -- -0.27166 -0.26994 -0.26725 -0.26697 -0.26537 Alpha occ. eigenvalues -- -0.26326 -0.26215 -0.26117 -0.25898 -0.25873 Alpha occ. eigenvalues -- -0.25777 -0.25599 -0.25492 -0.25462 -0.25225 Alpha occ. eigenvalues -- -0.24940 -0.24849 -0.24635 -0.24614 -0.24158 Alpha occ. eigenvalues -- -0.20890 -0.20670 -0.18580 Alpha virt. eigenvalues -- -0.10049 -0.09200 -0.08049 -0.07154 -0.06241 Alpha virt. eigenvalues -- -0.05283 -0.04112 -0.03308 -0.00985 -0.00821 Alpha virt. eigenvalues -- -0.00251 0.01513 0.02114 0.02360 0.02705 Alpha virt. eigenvalues -- 0.03006 0.03310 0.03358 0.03887 0.04139 Alpha virt. eigenvalues -- 0.04496 0.04722 0.05454 0.05590 0.06649 Alpha virt. eigenvalues -- 0.06840 0.07281 0.07639 0.07882 0.08174 Alpha virt. eigenvalues -- 0.08342 0.08924 0.09357 0.09693 0.09962 Alpha virt. eigenvalues -- 0.10191 0.11129 0.11873 0.12339 0.15456 Alpha virt. eigenvalues -- 0.16720 0.19216 0.19807 0.20437 0.21779 Alpha virt. eigenvalues -- 0.24027 0.25486 0.26528 0.26864 0.27960 Alpha virt. eigenvalues -- 0.28657 0.29098 0.30998 0.31886 0.33940 Alpha virt. eigenvalues -- 0.36944 0.39551 0.52057 0.62377 0.62823 Alpha virt. eigenvalues -- 0.63847 0.66359 0.66786 0.67059 0.70658 Alpha virt. eigenvalues -- 0.71543 0.72836 0.74702 0.76305 0.77586 Alpha virt. eigenvalues -- 0.78839 0.79217 0.80916 0.82199 0.85004 Alpha virt. eigenvalues -- 0.85735 0.86551 0.88431 0.89820 0.89949 Alpha virt. eigenvalues -- 0.93992 0.95900 1.00026 1.02233 1.03262 Alpha virt. eigenvalues -- 1.04918 1.05258 1.07827 1.10447 1.12342 Alpha virt. eigenvalues -- 1.13654 1.19770 1.23855 1.27329 1.27708 Alpha virt. eigenvalues -- 1.28731 1.30659 1.30885 1.31771 1.32685 Alpha virt. eigenvalues -- 1.34697 1.42997 1.57634 1.68193 1.71678 Alpha virt. eigenvalues -- 1.88050 2.06003 2.63914 2.75283 4.05764 Alpha virt. eigenvalues -- 10.63776 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 20.544467 -0.602182 -0.202617 -0.218411 -0.298348 -0.280180 2 Cu -0.602182 19.379528 -0.064719 -0.058728 0.046771 0.108993 3 Cu -0.202617 -0.064719 19.182673 0.014068 0.061926 -0.031781 4 Cu -0.218411 -0.058728 0.014068 19.175950 0.080944 -0.021829 5 Cu -0.298348 0.046771 0.061926 0.080944 19.041395 0.051277 6 Cu -0.280180 0.108993 -0.031781 -0.021829 0.051277 19.099417 7 Cu -0.321246 0.054579 0.082920 0.068468 0.073271 0.054550 8 Cu -0.352742 -0.000006 0.093115 0.100605 0.049607 0.088174 9 C 0.076457 0.123848 -0.003118 -0.002917 -0.000578 -0.015480 10 O 0.004947 0.037543 -0.009763 -0.009943 -0.005441 0.000263 7 8 9 10 1 Cu -0.321246 -0.352742 0.076457 0.004947 2 Cu 0.054579 -0.000006 0.123848 0.037543 3 Cu 0.082920 0.093115 -0.003118 -0.009763 4 Cu 0.068468 0.100605 -0.002917 -0.009943 5 Cu 0.073271 0.049607 -0.000578 -0.005441 6 Cu 0.054550 0.088174 -0.015480 0.000263 7 Cu 19.057717 0.072552 -0.000963 -0.005923 8 Cu 0.072552 19.038815 -0.001067 0.000032 9 C -0.000963 -0.001067 5.151936 0.555740 10 O -0.005923 0.000032 0.555740 7.542759 Mulliken atomic charges: 1 1 Cu 0.649856 2 Cu -0.025629 3 Cu -0.122704 4 Cu -0.128209 5 Cu -0.100825 6 Cu -0.053404 7 Cu -0.135926 8 Cu -0.089085 9 C 0.116140 10 O -0.110215 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.649856 2 Cu -0.025629 3 Cu -0.122704 4 Cu -0.128209 5 Cu -0.100825 6 Cu -0.053404 7 Cu -0.135926 8 Cu -0.089085 9 C 0.116140 10 O -0.110215 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.091498 2 Cu -0.137194 3 Cu -0.063733 4 Cu -0.070195 5 Cu -0.037329 6 Cu 0.081763 7 Cu -0.047255 8 Cu 0.015611 9 C 1.170628 10 O -1.003794 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.091498 2 Cu -0.137194 3 Cu -0.063733 4 Cu -0.070195 5 Cu -0.037329 6 Cu 0.081763 7 Cu -0.047255 8 Cu 0.015611 9 C 1.170628 10 O -1.003794 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4215.2691 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.1597 Y= 1.7329 Z= 0.2713 Tot= 1.7613 Quadrupole moment (field-independent basis, Debye-Ang): XX= -110.5254 YY= -117.8971 ZZ= -116.0060 XY= 0.5580 XZ= 0.9045 YZ= -0.4407 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 4.2841 YY= -3.0876 ZZ= -1.1965 XY= 0.5580 XZ= 0.9045 YZ= -0.4407 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 23.7400 YYY= 332.1725 ZZZ= -109.7561 XYY= -8.3343 XXY= 87.2563 XXZ= -29.2188 XZZ= 7.8964 YZZ= 103.0688 YYZ= -19.8473 XYZ= -6.5776 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1127.9532 YYYY= -3289.5320 ZZZZ= -1033.2557 XXXY= 177.2751 XXXZ= 37.0830 YYYX= 221.1219 YYYZ= -154.5961 ZZZX= 43.2862 ZZZY= -63.7330 XXYY= -692.3840 XXZZ= -340.4847 YYZZ= -667.4832 XXYZ= -42.5398 YYXZ= 13.8847 ZZXY= 43.1961 N-N= 2.074542196732D+03 E-N=-8.258815487301D+03 KE= 1.132178087100D+03 Exact polarizability: 281.691 -22.130 361.436 -3.508 23.099 264.430 Approx polarizability: 626.246 -51.271 827.352 -8.039 39.762 593.019 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon Apr 14 14:04:43 2008, MaxMem= 1258291200 cpu: 1.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-6.28502528D-02 6.81791843D-01 1.06736261D-01 Polarizability= 2.81690720D+02-2.21297285D+01 3.61436315D+02 -3.50750506D+00 2.30991139D+01 2.64430170D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000522183 0.000391725 0.001308368 2 29 0.000038690 0.000368661 -0.001817770 3 29 -0.000071611 -0.000420714 -0.000081928 4 29 0.000499685 -0.000367238 0.000040147 5 29 -0.000120211 -0.000162273 -0.000325097 6 29 -0.000021411 -0.000005437 -0.000045358 7 29 -0.000000760 -0.000292869 -0.000146314 8 29 0.000247852 -0.000184042 -0.000055310 9 6 -0.000961796 0.005080689 0.003165778 10 8 0.000911745 -0.004408501 -0.002042517 ------------------------------------------------------------------- Cartesian Forces: Max 0.005080689 RMS 0.001502308 Leave Link 716 at Mon Apr 14 14:04:44 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=2 IStep= 2. Leave Link 106 at Mon Apr 14 14:04:44 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. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2074.0924805540 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 10 NActive= 10 NUniq= 10 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Mon Apr 14 14:04:44 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= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 194 RedAO= T NBF= 194 NBsUse= 194 1.00D-06 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 615 NPtTot= 106536 NUsed= 110882 NTot= 110914 NSgBfM= 210 210 210 210. Leave Link 302 at Mon Apr 14 14:04:48 2008, MaxMem= 1258291200 cpu: 8.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2074.2888809414 hartrees. Leave Link 303 at Mon Apr 14 14:04:48 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. Leave Link 401 at Mon Apr 14 14:04:48 2008, MaxMem= 1258291200 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 110881 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234528. IEnd= 284564 IEndB= 284564 NGot=1258291200 MDV=1012634483 LenX=1012634483 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= -1682.74449886814 DIIS: error= 1.28D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.74449886814 IErMin= 1 ErrMin= 1.28D-03 ErrMax= 1.28D-03 EMaxC= 1.00D-01 BMatC= 9.45D-05 BMatP= 9.45D-05 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.28D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.089 Goal= None Shift= 0.000 GapD= 0.089 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.24D-04 MaxDP=6.57D-03 OVMax= 4.14D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.74459126357 Delta-E= -0.000092395433 Rises=F Damp=T DIIS: error= 4.61D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.74459126357 IErMin= 2 ErrMin= 4.61D-04 ErrMax= 4.61D-04 EMaxC= 1.00D-01 BMatC= 6.54D-05 BMatP= 9.45D-05 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.61D-03 Coeff-Com: 0.437D+00 0.563D+00 Coeff-En: 0.395D+00 0.605D+00 Coeff: 0.437D+00 0.563D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=2.33D-04 MaxDP=5.40D-03 DE=-9.24D-05 OVMax= 1.64D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.74491455006 Delta-E= -0.000323286488 Rises=F Damp=F DIIS: error= 3.46D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.74491455006 IErMin= 3 ErrMin= 3.46D-04 ErrMax= 3.46D-04 EMaxC= 1.00D-01 BMatC= 5.82D-05 BMatP= 6.54D-05 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.46D-03 Coeff-Com: 0.275D+00 0.372D+00 0.353D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.274D+00 0.370D+00 0.355D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=6.22D-05 MaxDP=9.65D-04 DE=-3.23D-04 OVMax= 3.07D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.74497119470 Delta-E= -0.000056644632 Rises=F Damp=F DIIS: error= 5.17D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.74497119470 IErMin= 4 ErrMin= 5.17D-05 ErrMax= 5.17D-05 EMaxC= 1.00D-01 BMatC= 1.20D-06 BMatP= 5.82D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.782D-01 0.399D-01 0.837D-01 0.798D+00 Coeff: 0.782D-01 0.399D-01 0.837D-01 0.798D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=2.84D-05 MaxDP=6.60D-04 DE=-5.66D-05 OVMax= 5.18D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.74497204874 Delta-E= -0.000000854041 Rises=F Damp=F DIIS: error= 5.78D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.74497204874 IErMin= 4 ErrMin= 5.17D-05 ErrMax= 5.78D-05 EMaxC= 1.00D-01 BMatC= 1.74D-06 BMatP= 1.20D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.314D-01-0.550D-02 0.143D-01 0.579D+00 0.381D+00 Coeff: 0.314D-01-0.550D-02 0.143D-01 0.579D+00 0.381D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=1.31D-05 MaxDP=2.18D-04 DE=-8.54D-07 OVMax= 2.86D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.74497305421 Delta-E= -0.000001005474 Rises=F Damp=F DIIS: error= 2.77D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.74497305421 IErMin= 6 ErrMin= 2.77D-05 ErrMax= 2.77D-05 EMaxC= 1.00D-01 BMatC= 3.37D-07 BMatP= 1.20D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.197D-02-0.108D-01-0.208D-01 0.159D+00 0.320D+00 0.550D+00 Coeff: 0.197D-02-0.108D-01-0.208D-01 0.159D+00 0.320D+00 0.550D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=4.83D-06 MaxDP=9.49D-05 DE=-1.01D-06 OVMax= 2.57D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.74497326158 Delta-E= -0.000000207367 Rises=F Damp=F DIIS: error= 1.54D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.74497326158 IErMin= 7 ErrMin= 1.54D-05 ErrMax= 1.54D-05 EMaxC= 1.00D-01 BMatC= 8.96D-08 BMatP= 3.37D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.135D-02-0.585D-02-0.169D-01 0.433D-01 0.209D+00 0.454D+00 Coeff-Com: 0.318D+00 Coeff: -0.135D-02-0.585D-02-0.169D-01 0.433D-01 0.209D+00 0.454D+00 Coeff: 0.318D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=2.36D-06 MaxDP=4.45D-05 DE=-2.07D-07 OVMax= 7.30D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.74497333440 Delta-E= -0.000000072820 Rises=F Damp=F DIIS: error= 2.01D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.74497333440 IErMin= 8 ErrMin= 2.01D-06 ErrMax= 2.01D-06 EMaxC= 1.00D-01 BMatC= 2.10D-09 BMatP= 8.96D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.864D-03-0.257D-02-0.629D-02 0.628D-02 0.756D-01 0.194D+00 Coeff-Com: 0.165D+00 0.569D+00 Coeff: -0.864D-03-0.257D-02-0.629D-02 0.628D-02 0.756D-01 0.194D+00 Coeff: 0.165D+00 0.569D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=9.66D-07 MaxDP=3.56D-05 DE=-7.28D-08 OVMax= 4.14D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.74497333643 Delta-E= -0.000000002036 Rises=F Damp=F DIIS: error= 1.74D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.74497333643 IErMin= 9 ErrMin= 1.74D-06 ErrMax= 1.74D-06 EMaxC= 1.00D-01 BMatC= 1.55D-09 BMatP= 2.10D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.466D-03-0.729D-03-0.151D-02-0.717D-02 0.175D-01 0.633D-01 Coeff-Com: 0.703D-01 0.467D+00 0.392D+00 Coeff: -0.466D-03-0.729D-03-0.151D-02-0.717D-02 0.175D-01 0.633D-01 Coeff: 0.703D-01 0.467D+00 0.392D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=4.42D-07 MaxDP=1.58D-05 DE=-2.04D-09 OVMax= 1.97D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.74497333797 Delta-E= -0.000000001534 Rises=F Damp=F DIIS: error= 7.22D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.74497333797 IErMin=10 ErrMin= 7.22D-07 ErrMax= 7.22D-07 EMaxC= 1.00D-01 BMatC= 2.33D-10 BMatP= 1.55D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.144D-03 0.376D-04 0.410D-03-0.696D-02-0.468D-02-0.138D-02 Coeff-Com: 0.178D-01 0.233D+00 0.280D+00 0.481D+00 Coeff: -0.144D-03 0.376D-04 0.410D-03-0.696D-02-0.468D-02-0.138D-02 Coeff: 0.178D-01 0.233D+00 0.280D+00 0.481D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=1.84D-07 MaxDP=5.69D-06 DE=-1.53D-09 OVMax= 8.16D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.74497333820 Delta-E= -0.000000000234 Rises=F Damp=F DIIS: error= 1.67D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.74497333820 IErMin=11 ErrMin= 1.67D-07 ErrMax= 1.67D-07 EMaxC= 1.00D-01 BMatC= 1.15D-11 BMatP= 2.33D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.189D-04 0.143D-03 0.367D-03-0.311D-02-0.431D-02-0.812D-02 Coeff-Com: 0.251D-02 0.713D-01 0.105D+00 0.218D+00 0.618D+00 Coeff: -0.189D-04 0.143D-03 0.367D-03-0.311D-02-0.431D-02-0.812D-02 Coeff: 0.251D-02 0.713D-01 0.105D+00 0.218D+00 0.618D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=5.63D-08 MaxDP=1.29D-06 DE=-2.34D-10 OVMax= 4.22D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.74497333822 Delta-E= -0.000000000017 Rises=F Damp=F DIIS: error= 1.23D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.74497333822 IErMin=12 ErrMin= 1.23D-07 ErrMax= 1.23D-07 EMaxC= 1.00D-01 BMatC= 5.75D-12 BMatP= 1.15D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.139D-04 0.870D-04 0.135D-03-0.556D-03-0.190D-02-0.500D-02 Coeff-Com: -0.183D-02-0.122D-02 0.148D-01 0.466D-01 0.443D+00 0.506D+00 Coeff: 0.139D-04 0.870D-04 0.135D-03-0.556D-03-0.190D-02-0.500D-02 Coeff: -0.183D-02-0.122D-02 0.148D-01 0.466D-01 0.443D+00 0.506D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=2.98D-08 MaxDP=7.06D-07 DE=-1.73D-11 OVMax= 1.16D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.74497333822 Delta-E= -0.000000000006 Rises=F Damp=F DIIS: error= 4.85D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.74497333822 IErMin=13 ErrMin= 4.85D-08 ErrMax= 4.85D-08 EMaxC= 1.00D-01 BMatC= 7.67D-13 BMatP= 5.75D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.946D-05 0.409D-04 0.417D-04-0.124D-04-0.822D-03-0.236D-02 Coeff-Com: -0.151D-02-0.930D-02-0.239D-02 0.227D-02 0.211D+00 0.345D+00 Coeff-Com: 0.459D+00 Coeff: 0.946D-05 0.409D-04 0.417D-04-0.124D-04-0.822D-03-0.236D-02 Coeff: -0.151D-02-0.930D-02-0.239D-02 0.227D-02 0.211D+00 0.345D+00 Coeff: 0.459D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=1.11D-08 MaxDP=3.13D-07 DE=-5.91D-12 OVMax= 5.73D-07 Cycle 14 Pass 1 IDiag 1: E= -1682.74497333823 Delta-E= -0.000000000003 Rises=F Damp=F DIIS: error= 1.73D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1682.74497333823 IErMin=14 ErrMin= 1.73D-08 ErrMax= 1.73D-08 EMaxC= 1.00D-01 BMatC= 5.37D-14 BMatP= 7.67D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.216D-05 0.744D-05-0.815D-05 0.909D-04-0.312D-04-0.294D-03 Coeff-Com: -0.394D-03-0.521D-02-0.359D-02-0.693D-02 0.319D-01 0.102D+00 Coeff-Com: 0.241D+00 0.642D+00 Coeff: 0.216D-05 0.744D-05-0.815D-05 0.909D-04-0.312D-04-0.294D-03 Coeff: -0.394D-03-0.521D-02-0.359D-02-0.693D-02 0.319D-01 0.102D+00 Coeff: 0.241D+00 0.642D+00 Gap= 0.088 Goal= None Shift= 0.000 RMSDP=4.63D-09 MaxDP=1.16D-07 DE=-3.18D-12 OVMax= 2.30D-07 SCF Done: E(RB+HF-LYP) = -1682.74497334 A.U. after 14 cycles Convg = 0.4627D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132160074784D+03 PE=-8.258441275766D+03 EE= 3.369247346702D+03 Leave Link 502 at Mon Apr 14 14:05:39 2008, MaxMem= 1258291200 cpu: 134.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.15720820D+02 **** Warning!!: The smallest alpha delta epsilon is 0.88038780D-01 Leave Link 801 at Mon Apr 14 14:05:40 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Mon Apr 14 14:05:48 2008, MaxMem= 1258291200 cpu: 20.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 10. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Mon Apr 14 14:05:49 2008, MaxMem= 1258291200 cpu: 1.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291118. G2DrvN: will do 11 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Mon Apr 14 14:06:55 2008, MaxMem= 1258291200 cpu: 259.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: Closed-shell wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291118 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 246256364. 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. 2 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 7.00D-16 Conv= 1.00D-12. Inverted reduced A of dimension 53 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.282318D+03 2 -0.232776D+02 0.363343D+03 3 -0.388516D+01 0.250327D+02 0.266404D+03 Isotropic polarizability for W= 0.000000 304.02 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Mon Apr 14 14:08:07 2008, MaxMem= 1258291200 cpu: 250.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27632 -10.35707 -4.35071 -4.30993 -4.29451 Alpha occ. eigenvalues -- -4.29399 -4.29032 -4.28616 -4.28554 -4.27356 Alpha occ. eigenvalues -- -2.86241 -2.85452 -2.85370 -2.81837 -2.81608 Alpha occ. eigenvalues -- -2.81579 -2.80308 -2.80205 -2.80177 -2.80142 Alpha occ. eigenvalues -- -2.80061 -2.80006 -2.79871 -2.79749 -2.79656 Alpha occ. eigenvalues -- -2.79549 -2.79486 -2.79260 -2.79227 -2.79204 Alpha occ. eigenvalues -- -2.79165 -2.78366 -2.78086 -2.77841 -1.19278 Alpha occ. eigenvalues -- -0.59117 -0.48778 -0.48761 -0.48159 -0.36131 Alpha occ. eigenvalues -- -0.34565 -0.33666 -0.33140 -0.32937 -0.32633 Alpha occ. eigenvalues -- -0.32015 -0.31020 -0.30846 -0.30787 -0.30439 Alpha occ. eigenvalues -- -0.30052 -0.29142 -0.28995 -0.28871 -0.28542 Alpha occ. eigenvalues -- -0.28390 -0.28034 -0.27681 -0.27620 -0.27249 Alpha occ. eigenvalues -- -0.27102 -0.26925 -0.26669 -0.26638 -0.26514 Alpha occ. eigenvalues -- -0.26280 -0.26146 -0.26044 -0.25820 -0.25799 Alpha occ. eigenvalues -- -0.25706 -0.25563 -0.25485 -0.25458 -0.25232 Alpha occ. eigenvalues -- -0.24991 -0.24852 -0.24724 -0.24656 -0.24225 Alpha occ. eigenvalues -- -0.20934 -0.20589 -0.18568 Alpha virt. eigenvalues -- -0.09764 -0.08793 -0.07954 -0.07029 -0.06408 Alpha virt. eigenvalues -- -0.05394 -0.04109 -0.03291 -0.00925 -0.00548 Alpha virt. eigenvalues -- -0.00287 0.01793 0.02153 0.02205 0.02286 Alpha virt. eigenvalues -- 0.03039 0.03253 0.03432 0.03757 0.04379 Alpha virt. eigenvalues -- 0.04417 0.04997 0.05146 0.05784 0.06473 Alpha virt. eigenvalues -- 0.06782 0.07522 0.07804 0.08061 0.08405 Alpha virt. eigenvalues -- 0.08495 0.08814 0.08926 0.09388 0.09700 Alpha virt. eigenvalues -- 0.09767 0.10960 0.12080 0.12343 0.15111 Alpha virt. eigenvalues -- 0.17301 0.19298 0.20026 0.20484 0.22044 Alpha virt. eigenvalues -- 0.24168 0.25352 0.26554 0.26850 0.27880 Alpha virt. eigenvalues -- 0.28676 0.29279 0.31085 0.32061 0.33841 Alpha virt. eigenvalues -- 0.37472 0.40350 0.52910 0.62542 0.62945 Alpha virt. eigenvalues -- 0.64117 0.66858 0.67250 0.67323 0.70977 Alpha virt. eigenvalues -- 0.71653 0.73401 0.74830 0.76302 0.77633 Alpha virt. eigenvalues -- 0.78963 0.79500 0.80910 0.82272 0.84988 Alpha virt. eigenvalues -- 0.85997 0.86715 0.88445 0.89892 0.90110 Alpha virt. eigenvalues -- 0.93982 0.95886 0.99995 1.02237 1.03351 Alpha virt. eigenvalues -- 1.04904 1.05339 1.07852 1.10432 1.12301 Alpha virt. eigenvalues -- 1.13683 1.19837 1.23944 1.27385 1.27779 Alpha virt. eigenvalues -- 1.28771 1.30679 1.30930 1.31870 1.32723 Alpha virt. eigenvalues -- 1.34786 1.43062 1.57933 1.68532 1.71889 Alpha virt. eigenvalues -- 1.88099 2.05981 2.63865 2.75050 4.05742 Alpha virt. eigenvalues -- 10.64209 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 20.614525 -0.607651 -0.210992 -0.227208 -0.308761 -0.284310 2 Cu -0.607651 19.368923 -0.059643 -0.053531 0.049180 0.109099 3 Cu -0.210992 -0.059643 19.170552 0.014809 0.064739 -0.032619 4 Cu -0.227208 -0.053531 0.014809 19.151656 0.080757 -0.022050 5 Cu -0.308761 0.049180 0.064739 0.080757 19.057678 0.052484 6 Cu -0.284310 0.109099 -0.032619 -0.022050 0.052484 19.117300 7 Cu -0.333496 0.060051 0.081405 0.070934 0.073103 0.054928 8 Cu -0.357232 0.003607 0.093151 0.100493 0.051208 0.080929 9 C 0.074144 0.119100 -0.002881 -0.002702 -0.000285 -0.015452 10 O 0.005386 0.036387 -0.009481 -0.009529 -0.005208 0.000248 7 8 9 10 1 Cu -0.333496 -0.357232 0.074144 0.005386 2 Cu 0.060051 0.003607 0.119100 0.036387 3 Cu 0.081405 0.093151 -0.002881 -0.009481 4 Cu 0.070934 0.100493 -0.002702 -0.009529 5 Cu 0.073103 0.051208 -0.000285 -0.005208 6 Cu 0.054928 0.080929 -0.015452 0.000248 7 Cu 19.057514 0.074123 -0.000593 -0.005526 8 Cu 0.074123 19.075342 -0.001362 0.000039 9 C -0.000593 -0.001362 5.148405 0.561204 10 O -0.005526 0.000039 0.561204 7.516108 Mulliken atomic charges: 1 1 Cu 0.635595 2 Cu -0.025524 3 Cu -0.109040 4 Cu -0.103631 5 Cu -0.114894 6 Cu -0.060558 7 Cu -0.132444 8 Cu -0.120298 9 C 0.120422 10 O -0.089628 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.635595 2 Cu -0.025524 3 Cu -0.109040 4 Cu -0.103631 5 Cu -0.114894 6 Cu -0.060558 7 Cu -0.132444 8 Cu -0.120298 9 C 0.120422 10 O -0.089628 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.094116 2 Cu -0.120935 3 Cu -0.058277 4 Cu -0.056304 5 Cu -0.051223 6 Cu 0.076109 7 Cu -0.042031 8 Cu -0.041253 9 C 1.136365 10 O -0.936567 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.094116 2 Cu -0.120935 3 Cu -0.058277 4 Cu -0.056304 5 Cu -0.051223 6 Cu 0.076109 7 Cu -0.042031 8 Cu -0.041253 9 C 1.136365 10 O -0.936567 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4214.5869 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.0331 Y= -0.1220 Z= -1.1177 Tot= 1.1249 Quadrupole moment (field-independent basis, Debye-Ang): XX= -110.6518 YY= -115.3558 ZZ= -117.5034 XY= 0.9300 XZ= 1.1974 YZ= -0.6886 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 3.8518 YY= -0.8521 ZZ= -2.9997 XY= 0.9300 XZ= 1.1974 YZ= -0.6886 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 23.4663 YYY= 302.2503 ZZZ= -121.6418 XYY= -4.6292 XXY= 82.7772 XXZ= -33.5264 XZZ= 8.6120 YZZ= 97.0148 YYZ= -28.1351 XYZ= -4.6360 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1129.3441 YYYY= -3202.8704 ZZZZ= -1055.3571 XXXY= 182.1190 XXXZ= 37.9498 YYYX= 215.4714 YYYZ= -150.7072 ZZZX= 46.7096 ZZZY= -70.5319 XXYY= -687.2067 XXZZ= -345.9632 YYZZ= -672.7724 XXYZ= -43.1705 YYXZ= 15.3033 ZZXY= 47.6457 N-N= 2.074288880941D+03 E-N=-8.258441267138D+03 KE= 1.132160074784D+03 Exact polarizability: 282.318 -23.278 363.343 -3.885 25.033 266.404 Approx polarizability: 625.398 -48.732 810.984 -8.093 39.089 596.684 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon Apr 14 14:08:08 2008, MaxMem= 1258291200 cpu: 1.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-1.30057258D-02-4.80174911D-02-4.39751199D-01 Polarizability= 2.82318047D+02-2.32775816D+01 3.63342853D+02 -3.88515856D+00 2.50326654D+01 2.66403716D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000427380 -0.000114502 0.001251692 2 29 -0.000275997 0.000969968 -0.000935537 3 29 0.000113956 0.000152097 -0.000020023 4 29 0.000140937 0.000017341 -0.000018099 5 29 -0.000028893 -0.000001773 -0.000297594 6 29 0.000223767 -0.000361457 -0.000532285 7 29 -0.000135133 -0.000184760 -0.000104401 8 29 0.000171374 -0.000221417 0.000140548 9 6 0.000711395 -0.001395883 -0.000034136 10 8 -0.000494026 0.001140386 0.000549835 ------------------------------------------------------------------- Cartesian Forces: Max 0.001395883 RMS 0.000539421 Leave Link 716 at Mon Apr 14 14:08:08 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 Mon Apr 14 14:08:08 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. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2074.0924805540 Hartrees. IExCor= 402 DFT=T Ex=B+HF Corr=LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 10 NActive= 10 NUniq= 10 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Leave Link 301 at Mon Apr 14 14:08:08 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= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 4 Len= 56 LDataN: DoStor=T MaxTD1= 4 Len= 56 NBasis= 194 RedAO= T NBF= 194 NBsUse= 194 1.00D-06 NBFU= 194 Precomputing XC quadrature grid using IXCGrd= 2 IRadAn= 0 IRanWt= -1 IRanGd= 0. NRdTot= 615 NPtTot= 106536 NUsed= 110882 NTot= 110914 NSgBfM= 210 210 210 210. Leave Link 302 at Mon Apr 14 14:08:11 2008, MaxMem= 1258291200 cpu: 9.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2073.8960801665 hartrees. Leave Link 303 at Mon Apr 14 14:08:12 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. Leave Link 401 at Mon Apr 14 14:08:12 2008, MaxMem= 1258291200 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 110881 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234528. IEnd= 284564 IEndB= 284564 NGot=1258291200 MDV=1012634483 LenX=1012634483 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= -1682.74473566926 DIIS: error= 1.28D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.74473566926 IErMin= 1 ErrMin= 1.28D-03 ErrMax= 1.28D-03 EMaxC= 1.00D-01 BMatC= 9.45D-05 BMatP= 9.45D-05 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.28D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.086 Goal= None Shift= 0.000 GapD= 0.086 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.25D-04 MaxDP=7.03D-03 OVMax= 4.15D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.74482462370 Delta-E= -0.000088954441 Rises=F Damp=T DIIS: error= 4.63D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.74482462370 IErMin= 2 ErrMin= 4.63D-04 ErrMax= 4.63D-04 EMaxC= 1.00D-01 BMatC= 6.65D-05 BMatP= 9.45D-05 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.63D-03 Coeff-Com: 0.440D+00 0.560D+00 Coeff-En: 0.400D+00 0.600D+00 Coeff: 0.440D+00 0.560D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=2.36D-04 MaxDP=5.56D-03 DE=-8.90D-05 OVMax= 1.65D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.74515133625 Delta-E= -0.000326712556 Rises=F Damp=F DIIS: error= 3.43D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.74515133625 IErMin= 3 ErrMin= 3.43D-04 ErrMax= 3.43D-04 EMaxC= 1.00D-01 BMatC= 5.84D-05 BMatP= 6.65D-05 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.43D-03 Coeff-Com: 0.277D+00 0.370D+00 0.353D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.276D+00 0.369D+00 0.355D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=6.24D-05 MaxDP=9.45D-04 DE=-3.27D-04 OVMax= 3.09D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.74520802861 Delta-E= -0.000056692361 Rises=F Damp=F DIIS: error= 5.10D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.74520802861 IErMin= 4 ErrMin= 5.10D-05 ErrMax= 5.10D-05 EMaxC= 1.00D-01 BMatC= 1.38D-06 BMatP= 5.84D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.833D-01 0.501D-01 0.927D-01 0.774D+00 Coeff: 0.833D-01 0.501D-01 0.927D-01 0.774D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=2.80D-05 MaxDP=6.02D-04 DE=-5.67D-05 OVMax= 5.03D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.74520852886 Delta-E= -0.000000500242 Rises=F Damp=F DIIS: error= 6.19D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.74520852886 IErMin= 4 ErrMin= 5.10D-05 ErrMax= 6.19D-05 EMaxC= 1.00D-01 BMatC= 2.37D-06 BMatP= 1.38D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.332D-01-0.273D-02 0.181D-01 0.588D+00 0.364D+00 Coeff: 0.332D-01-0.273D-02 0.181D-01 0.588D+00 0.364D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=1.42D-05 MaxDP=2.32D-04 DE=-5.00D-07 OVMax= 3.03D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.74520996227 Delta-E= -0.000001433416 Rises=F Damp=F DIIS: error= 3.06D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.74520996227 IErMin= 6 ErrMin= 3.06D-05 ErrMax= 3.06D-05 EMaxC= 1.00D-01 BMatC= 3.42D-07 BMatP= 1.38D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.255D-02-0.106D-01-0.197D-01 0.170D+00 0.293D+00 0.565D+00 Coeff: 0.255D-02-0.106D-01-0.197D-01 0.170D+00 0.293D+00 0.565D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=5.19D-06 MaxDP=1.01D-04 DE=-1.43D-06 OVMax= 2.55D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.74521016796 Delta-E= -0.000000205687 Rises=F Damp=F DIIS: error= 1.62D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.74521016796 IErMin= 7 ErrMin= 1.62D-05 ErrMax= 1.62D-05 EMaxC= 1.00D-01 BMatC= 1.09D-07 BMatP= 3.42D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.140D-02-0.552D-02-0.168D-01 0.391D-01 0.183D+00 0.474D+00 Coeff-Com: 0.327D+00 Coeff: -0.140D-02-0.552D-02-0.168D-01 0.391D-01 0.183D+00 0.474D+00 Coeff: 0.327D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=2.61D-06 MaxDP=4.22D-05 DE=-2.06D-07 OVMax= 7.77D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.74521025281 Delta-E= -0.000000084849 Rises=F Damp=F DIIS: error= 2.25D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.74521025281 IErMin= 8 ErrMin= 2.25D-06 ErrMax= 2.25D-06 EMaxC= 1.00D-01 BMatC= 2.49D-09 BMatP= 1.09D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.947D-03-0.253D-02-0.663D-02 0.553D-02 0.665D-01 0.210D+00 Coeff-Com: 0.168D+00 0.560D+00 Coeff: -0.947D-03-0.253D-02-0.663D-02 0.553D-02 0.665D-01 0.210D+00 Coeff: 0.168D+00 0.560D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=1.05D-06 MaxDP=3.66D-05 DE=-8.48D-08 OVMax= 4.09D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.74521025566 Delta-E= -0.000000002848 Rises=F Damp=F DIIS: error= 1.88D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.74521025566 IErMin= 9 ErrMin= 1.88D-06 ErrMax= 1.88D-06 EMaxC= 1.00D-01 BMatC= 1.68D-09 BMatP= 2.49D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.566D-03-0.879D-03-0.208D-02-0.655D-02 0.180D-01 0.789D-01 Coeff-Com: 0.743D-01 0.453D+00 0.386D+00 Coeff: -0.566D-03-0.879D-03-0.208D-02-0.655D-02 0.180D-01 0.789D-01 Coeff: 0.743D-01 0.453D+00 0.386D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=4.53D-07 MaxDP=1.67D-05 DE=-2.85D-09 OVMax= 1.98D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.74521025723 Delta-E= -0.000000001568 Rises=F Damp=F DIIS: error= 7.58D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.74521025723 IErMin=10 ErrMin= 7.58D-07 ErrMax= 7.58D-07 EMaxC= 1.00D-01 BMatC= 2.26D-10 BMatP= 1.68D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.126D-03 0.552D-04 0.462D-03-0.676D-02-0.537D-02-0.383D-02 Coeff-Com: 0.114D-01 0.203D+00 0.268D+00 0.533D+00 Coeff: -0.126D-03 0.552D-04 0.462D-03-0.676D-02-0.537D-02-0.383D-02 Coeff: 0.114D-01 0.203D+00 0.268D+00 0.533D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=2.02D-07 MaxDP=5.79D-06 DE=-1.57D-09 OVMax= 8.96D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.74521025748 Delta-E= -0.000000000251 Rises=F Damp=F DIIS: error= 1.40D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.74521025748 IErMin=11 ErrMin= 1.40D-07 ErrMax= 1.40D-07 EMaxC= 1.00D-01 BMatC= 1.05D-11 BMatP= 2.26D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.101D-04 0.141D-03 0.388D-03-0.303D-02-0.413D-02-0.893D-02 Coeff-Com: -0.140D-03 0.638D-01 0.103D+00 0.237D+00 0.612D+00 Coeff: -0.101D-04 0.141D-03 0.388D-03-0.303D-02-0.413D-02-0.893D-02 Coeff: -0.140D-03 0.638D-01 0.103D+00 0.237D+00 0.612D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=5.37D-08 MaxDP=1.29D-06 DE=-2.51D-10 OVMax= 3.79D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.74521025749 Delta-E= -0.000000000016 Rises=F Damp=F DIIS: error= 1.14D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.74521025749 IErMin=12 ErrMin= 1.14D-07 ErrMax= 1.14D-07 EMaxC= 1.00D-01 BMatC= 5.83D-12 BMatP= 1.05D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.173D-04 0.842D-04 0.134D-03-0.484D-03-0.154D-02-0.513D-02 Coeff-Com: -0.240D-02-0.254D-02 0.126D-01 0.443D-01 0.451D+00 0.504D+00 Coeff: 0.173D-04 0.842D-04 0.134D-03-0.484D-03-0.154D-02-0.513D-02 Coeff: -0.240D-02-0.254D-02 0.126D-01 0.443D-01 0.451D+00 0.504D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=2.93D-08 MaxDP=6.86D-07 DE=-1.59D-11 OVMax= 1.24D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.74521025750 Delta-E= -0.000000000010 Rises=F Damp=F DIIS: error= 4.23D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.74521025750 IErMin=13 ErrMin= 4.23D-08 ErrMax= 4.23D-08 EMaxC= 1.00D-01 BMatC= 6.99D-13 BMatP= 5.83D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.103D-04 0.358D-04 0.326D-04 0.651D-04-0.537D-03-0.226D-02 Coeff-Com: -0.151D-02-0.976D-02-0.392D-02-0.273D-02 0.215D+00 0.339D+00 Coeff-Com: 0.467D+00 Coeff: 0.103D-04 0.358D-04 0.326D-04 0.651D-04-0.537D-03-0.226D-02 Coeff: -0.151D-02-0.976D-02-0.392D-02-0.273D-02 0.215D+00 0.339D+00 Coeff: 0.467D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=1.07D-08 MaxDP=3.27D-07 DE=-9.55D-12 OVMax= 6.14D-07 Cycle 14 Pass 1 IDiag 1: E= -1682.74521025750 Delta-E= 0.000000000000 Rises=F Damp=F DIIS: error= 1.91D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=13 EnMin= -1682.74521025750 IErMin=14 ErrMin= 1.91D-08 ErrMax= 1.91D-08 EMaxC= 1.00D-01 BMatC= 5.17D-14 BMatP= 6.99D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.245D-05 0.711D-05-0.735D-05 0.957D-04-0.767D-05-0.336D-03 Coeff-Com: -0.380D-03-0.499D-02-0.345D-02-0.811D-02 0.413D-01 0.107D+00 Coeff-Com: 0.255D+00 0.614D+00 Coeff: 0.245D-05 0.711D-05-0.735D-05 0.957D-04-0.767D-05-0.336D-03 Coeff: -0.380D-03-0.499D-02-0.345D-02-0.811D-02 0.413D-01 0.107D+00 Coeff: 0.255D+00 0.614D+00 Gap= 0.087 Goal= None Shift= 0.000 RMSDP=4.59D-09 MaxDP=1.17D-07 DE= 0.00D+00 OVMax= 2.64D-07 SCF Done: E(RB+HF-LYP) = -1682.74521026 A.U. after 14 cycles Convg = 0.4589D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132162814881D+03 PE=-8.258152581708D+03 EE= 3.369348476403D+03 Leave Link 502 at Mon Apr 14 14:08:53 2008, MaxMem= 1258291200 cpu: 134.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.15580119D+02 **** Warning!!: The smallest alpha delta epsilon is 0.86759877D-01 Leave Link 801 at Mon Apr 14 14:08:53 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2733 LenP2D= 11307. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Mon Apr 14 14:09:02 2008, MaxMem= 1258291200 cpu: 21.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 10. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Mon Apr 14 14:09:03 2008, MaxMem= 1258291200 cpu: 0.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291118. G2DrvN: will do 11 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Mon Apr 14 14:10:09 2008, MaxMem= 1258291200 cpu: 259.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: Closed-shell wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291118 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 246256364. 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. 2 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 6.54D-16 Conv= 1.00D-12. Inverted reduced A of dimension 53 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.280618D+03 2 -0.224196D+02 0.362363D+03 3 -0.384963D+01 0.221286D+02 0.266589D+03 Isotropic polarizability for W= 0.000000 303.19 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Mon Apr 14 14:11:21 2008, MaxMem= 1258291200 cpu: 254.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27530 -10.35621 -4.34811 -4.30569 -4.29168 Alpha occ. eigenvalues -- -4.29125 -4.28732 -4.28286 -4.28258 -4.26974 Alpha occ. eigenvalues -- -2.85988 -2.85188 -2.85102 -2.81408 -2.81192 Alpha occ. eigenvalues -- -2.81156 -2.80027 -2.79916 -2.79899 -2.79860 Alpha occ. eigenvalues -- -2.79777 -2.79727 -2.79573 -2.79441 -2.79351 Alpha occ. eigenvalues -- -2.79218 -2.79189 -2.78937 -2.78912 -2.78904 Alpha occ. eigenvalues -- -2.78871 -2.77985 -2.77714 -2.77461 -1.19230 Alpha occ. eigenvalues -- -0.59121 -0.48761 -0.48749 -0.48050 -0.35828 Alpha occ. eigenvalues -- -0.34269 -0.33365 -0.32853 -0.32661 -0.32341 Alpha occ. eigenvalues -- -0.31710 -0.30657 -0.30495 -0.30440 -0.30079 Alpha occ. eigenvalues -- -0.29746 -0.28847 -0.28689 -0.28554 -0.28231 Alpha occ. eigenvalues -- -0.28056 -0.27687 -0.27359 -0.27311 -0.26932 Alpha occ. eigenvalues -- -0.26792 -0.26615 -0.26366 -0.26326 -0.26191 Alpha occ. eigenvalues -- -0.25960 -0.25838 -0.25746 -0.25505 -0.25493 Alpha occ. eigenvalues -- -0.25404 -0.25242 -0.25161 -0.25122 -0.24893 Alpha occ. eigenvalues -- -0.24639 -0.24510 -0.24349 -0.24313 -0.23862 Alpha occ. eigenvalues -- -0.20576 -0.20276 -0.18235 Alpha virt. eigenvalues -- -0.09559 -0.08665 -0.07629 -0.06711 -0.05905 Alpha virt. eigenvalues -- -0.05163 -0.03743 -0.02969 -0.00496 -0.00236 Alpha virt. eigenvalues -- -0.00011 0.02276 0.02595 0.02660 0.02980 Alpha virt. eigenvalues -- 0.03472 0.03497 0.03546 0.04005 0.04474 Alpha virt. eigenvalues -- 0.04640 0.05106 0.05565 0.05943 0.07211 Alpha virt. eigenvalues -- 0.07468 0.07721 0.07763 0.08228 0.08531 Alpha virt. eigenvalues -- 0.08636 0.09072 0.09279 0.09846 0.10390 Alpha virt. eigenvalues -- 0.10397 0.11261 0.12114 0.12450 0.15944 Alpha virt. eigenvalues -- 0.17553 0.19756 0.20332 0.20619 0.22259 Alpha virt. eigenvalues -- 0.24364 0.25860 0.26962 0.27264 0.28253 Alpha virt. eigenvalues -- 0.28823 0.29345 0.31166 0.32341 0.34409 Alpha virt. eigenvalues -- 0.37716 0.40363 0.52838 0.62826 0.63241 Alpha virt. eigenvalues -- 0.64352 0.67131 0.67200 0.67510 0.71125 Alpha virt. eigenvalues -- 0.71875 0.73482 0.75069 0.76581 0.77873 Alpha virt. eigenvalues -- 0.79228 0.79715 0.81260 0.82558 0.85356 Alpha virt. eigenvalues -- 0.86240 0.86989 0.88788 0.90246 0.90343 Alpha virt. eigenvalues -- 0.94346 0.96247 1.00371 1.02594 1.03621 Alpha virt. eigenvalues -- 1.05293 1.05680 1.08228 1.10757 1.12666 Alpha virt. eigenvalues -- 1.13992 1.20212 1.24239 1.27695 1.28071 Alpha virt. eigenvalues -- 1.29068 1.31020 1.31180 1.32146 1.32985 Alpha virt. eigenvalues -- 1.35102 1.43400 1.58248 1.68656 1.71972 Alpha virt. eigenvalues -- 1.88270 2.06187 2.64245 2.75597 4.06185 Alpha virt. eigenvalues -- 10.64465 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 20.525994 -0.601666 -0.197990 -0.213656 -0.304260 -0.276388 2 Cu -0.601666 19.369051 -0.065958 -0.060507 0.049952 0.113349 3 Cu -0.197990 -0.065958 19.204029 0.015843 0.060493 -0.037185 4 Cu -0.213656 -0.060507 0.015843 19.197224 0.082043 -0.026137 5 Cu -0.304260 0.049952 0.060493 0.082043 19.024173 0.052885 6 Cu -0.276388 0.113349 -0.037185 -0.026137 0.052885 19.132629 7 Cu -0.324777 0.057174 0.083421 0.066182 0.071828 0.056139 8 Cu -0.352435 0.000377 0.094994 0.102387 0.049804 0.079667 9 C 0.076181 0.119290 -0.002804 -0.002625 -0.000226 -0.015920 10 O 0.005228 0.037105 -0.009704 -0.009872 -0.005175 0.000273 7 8 9 10 1 Cu -0.324777 -0.352435 0.076181 0.005228 2 Cu 0.057174 0.000377 0.119290 0.037105 3 Cu 0.083421 0.094994 -0.002804 -0.009704 4 Cu 0.066182 0.102387 -0.002625 -0.009872 5 Cu 0.071828 0.049804 -0.000226 -0.005175 6 Cu 0.056139 0.079667 -0.015920 0.000273 7 Cu 19.038981 0.072186 -0.000610 -0.005663 8 Cu 0.072186 19.047447 -0.001126 0.000033 9 C -0.000610 -0.001126 5.149990 0.558762 10 O -0.005663 0.000033 0.558762 7.528654 Mulliken atomic charges: 1 1 Cu 0.663769 2 Cu -0.018167 3 Cu -0.145140 4 Cu -0.150883 5 Cu -0.081517 6 Cu -0.079314 7 Cu -0.114861 8 Cu -0.093333 9 C 0.119087 10 O -0.099641 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.663769 2 Cu -0.018167 3 Cu -0.145140 4 Cu -0.150883 5 Cu -0.081517 6 Cu -0.079314 7 Cu -0.114861 8 Cu -0.093333 9 C 0.119087 10 O -0.099641 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.091582 2 Cu -0.128914 3 Cu -0.077739 4 Cu -0.084813 5 Cu -0.015658 6 Cu 0.050591 7 Cu -0.025592 8 Cu 0.003479 9 C 1.150961 10 O -0.963895 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.091582 2 Cu -0.128914 3 Cu -0.077739 4 Cu -0.084813 5 Cu -0.015658 6 Cu 0.050591 7 Cu -0.025592 8 Cu 0.003479 9 C 1.150961 10 O -0.963895 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4212.8640 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.0704 Y= 0.1043 Z= 1.4367 Tot= 1.4422 Quadrupole moment (field-independent basis, Debye-Ang): XX= -110.0237 YY= -115.6244 ZZ= -115.5455 XY= 0.6682 XZ= 0.9055 YZ= -1.3448 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 3.7075 YY= -1.8932 ZZ= -1.8144 XY= 0.6682 XZ= 0.9055 YZ= -1.3448 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 23.5737 YYY= 309.1562 ZZZ= -100.3321 XYY= -6.5911 XXY= 82.2124 XXZ= -24.7137 XZZ= 8.6451 YZZ= 98.6455 YYZ= -16.8814 XYZ= -6.1137 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1120.3506 YYYY= -3226.9402 ZZZZ= -1026.5001 XXXY= 179.8951 XXXZ= 37.5215 YYYX= 218.8461 YYYZ= -159.8805 ZZZX= 44.1240 ZZZY= -70.8572 XXYY= -683.5941 XXZZ= -336.2719 YYZZ= -662.0058 XXYZ= -48.4618 YYXZ= 12.6743 ZZXY= 42.6593 N-N= 2.073896080167D+03 E-N=-8.258152587095D+03 KE= 1.132162814881D+03 Exact polarizability: 280.618 -22.420 362.363 -3.850 22.129 266.589 Approx polarizability: 625.108 -49.282 819.169 -7.643 35.296 595.597 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Mon Apr 14 14:11:22 2008, MaxMem= 1258291200 cpu: 1.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-2.76817539D-02 4.10384158D-02 5.65236575D-01 Polarizability= 2.80617790D+02-2.24196421D+01 3.62363132D+02 -3.84963113D+00 2.21286329D+01 2.66588887D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000436779 0.000077017 0.001317054 2 29 -0.000058987 0.000731943 -0.001598635 3 29 -0.000116172 -0.000081839 0.000068653 4 29 0.000359426 -0.000053604 0.000142087 5 29 0.000027131 0.000026891 -0.000354559 6 29 0.000067914 -0.000451084 -0.000204217 7 29 -0.000171850 -0.000153544 -0.000250570 8 29 0.000228336 -0.000084161 -0.000057755 9 6 -0.000027093 0.001108705 0.001852772 10 8 0.000128074 -0.001120323 -0.000914830 ------------------------------------------------------------------- Cartesian Forces: Max 0.001852772 RMS 0.000646270 Leave Link 716 at Mon Apr 14 14:11:22 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=3 IStep= 2. Max difference between analytic and numerical Dipole moment IMax= 2 EMax= 5.49D-04 Max difference between off-diagonal Polarizability IMax= 1 JMax= 2 EMax= 2.17D-02 Max difference between analytic and numerical Polarizability IMax= 6 EMax= 2.83D-01 Max difference between off-diagonal HyperPolarizability IMax= 1 JMax= 1 KMax= 2 EMax= 5.26D+00 Final packed hyperpolarizability: K= 1 block: 1 1 -0.282187D+02 K= 2 block: 1 2 1 -0.182150D+03 2 -0.374890D+03 0.936166D+03 K= 3 block: 1 2 3 1 0.452384D+03 2 -0.226491D+03 0.261775D+03 3 -0.850790D+01 0.769588D+03 -0.489942D+02 Max difference between off-diagonal Polar Derivs IMax= 1 JMax= 2 KMax= 26 EMax= 1.79D-02 Leave Link 106 at Mon Apr 14 14:11:23 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole =-2.03568260D-02-2.11902470D-03 6.26548775D-02 Polarizability= 2.81120002D+02-2.28364274D+01 3.62589277D+02 -3.89516804D+00 2.35665117D+01 2.65625189D+02 HyperPolar =-2.82186807D+01-1.82150487D+02-3.74889954D+02 9.36165977D+02 4.52383619D+02-2.26491098D+02 2.61775448D+02-8.50790313D+00 7.69587501D+02 -4.89941682D+01 Full mass-weighted force constant matrix: Low frequencies --- -4.4852 -1.2305 -0.0003 -0.0002 0.0005 2.5839 Low frequencies --- 23.3284 26.9214 29.6817 Diagonal vibrational polarizability: 7.4250260 18.4050428 4.1207322 Diagonal vibrational hyperpolarizability: -263.5325130 270.6062299 50.7088895 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 -- 23.3120 26.9194 29.6457 Red. masses -- 42.3706 20.0926 22.6693 Frc consts -- 0.0136 0.0086 0.0117 IR Inten -- 0.0105 0.0288 0.1486 Raman Activ -- 1.7961 1.1851 3.7689 Depolar (P) -- 0.7446 0.7152 0.7491 Depolar (U) -- 0.8536 0.8340 0.8566 Atom AN X Y Z X Y Z X Y Z 1 29 0.22 0.04 0.05 -0.02 0.03 0.03 -0.06 -0.01 -0.01 2 29 0.02 0.01 0.01 -0.01 -0.01 0.08 0.16 0.03 0.03 3 29 0.08 -0.01 -0.03 0.02 -0.07 0.06 0.03 0.09 0.05 4 29 0.05 0.05 0.07 -0.01 -0.08 0.06 0.08 -0.07 -0.04 5 29 0.17 -0.10 -0.07 -0.05 -0.01 0.12 0.00 0.16 0.08 6 29 0.14 0.03 0.03 0.02 -0.07 -0.09 -0.12 -0.02 -0.02 7 29 0.09 0.17 0.13 0.01 -0.02 0.13 0.08 -0.15 -0.08 8 29 -0.58 -0.15 -0.14 0.02 0.10 -0.13 0.10 0.03 0.03 9 6 -0.27 -0.04 -0.05 0.02 0.18 -0.34 -0.31 -0.06 -0.04 10 8 -0.58 -0.09 -0.13 0.05 0.37 -0.78 -0.84 -0.16 -0.12 4 5 6 A A A Frequencies -- 50.2581 55.6708 79.6477 Red. masses -- 62.1620 54.3769 62.3028 Frc consts -- 0.0925 0.0993 0.2329 IR Inten -- 0.0453 0.1292 0.1086 Raman Activ -- 1.3279 4.4324 2.0165 Depolar (P) -- 0.7209 0.6241 0.7110 Depolar (U) -- 0.8379 0.7685 0.8311 Atom AN X Y Z X Y Z X Y Z 1 29 -0.21 -0.03 -0.04 -0.03 -0.10 0.05 -0.10 -0.04 0.53 2 29 0.11 0.02 -0.07 -0.06 -0.04 0.45 -0.03 0.07 0.01 3 29 -0.05 -0.22 -0.20 -0.04 -0.20 -0.20 -0.05 0.09 0.15 4 29 -0.24 0.25 0.23 0.10 -0.08 -0.11 0.02 0.06 0.11 5 29 -0.14 0.29 0.02 0.20 0.40 -0.18 0.27 -0.19 -0.32 6 29 0.56 0.13 0.09 0.10 -0.09 0.16 0.01 -0.20 0.07 7 29 0.07 -0.44 0.02 -0.24 0.18 -0.27 -0.07 -0.22 -0.31 8 29 -0.07 0.03 -0.08 -0.01 -0.15 0.16 -0.04 0.41 -0.26 9 6 0.01 -0.02 -0.02 -0.04 0.09 0.12 -0.02 0.07 0.00 10 8 -0.08 -0.08 0.06 0.00 0.28 -0.28 -0.01 0.03 0.08 7 8 9 A A A Frequencies -- 96.1512 96.4192 97.4192 Red. masses -- 61.9600 61.5476 60.2943 Frc consts -- 0.3375 0.3371 0.3371 IR Inten -- 0.3732 1.3947 0.2545 Raman Activ -- 5.0816 4.1925 7.5543 Depolar (P) -- 0.6612 0.6891 0.3923 Depolar (U) -- 0.7960 0.8159 0.5636 Atom AN X Y Z X Y Z X Y Z 1 29 -0.29 -0.01 -0.19 0.08 -0.18 -0.11 0.10 0.24 -0.22 2 29 -0.22 -0.14 0.10 0.00 -0.10 0.22 0.04 -0.22 0.45 3 29 0.16 0.36 0.13 -0.07 0.24 0.29 -0.16 -0.12 -0.14 4 29 0.35 -0.22 0.00 -0.18 0.28 0.30 0.05 0.09 -0.02 5 29 -0.06 -0.01 -0.43 0.23 -0.01 0.03 -0.01 -0.35 -0.02 6 29 0.21 0.20 0.03 -0.03 0.21 -0.39 -0.15 0.35 0.05 7 29 -0.13 -0.18 0.34 -0.19 -0.08 -0.14 0.22 -0.23 -0.20 8 29 -0.02 0.03 0.02 0.15 -0.37 -0.21 -0.09 0.25 0.11 9 6 -0.09 -0.08 0.03 0.00 -0.07 0.12 0.02 -0.10 0.15 10 8 0.03 -0.01 -0.06 0.01 0.03 -0.09 0.02 0.02 -0.14 10 11 12 A A A Frequencies -- 114.0474 118.5863 120.9642 Red. masses -- 60.7771 37.2912 62.5141 Frc consts -- 0.4658 0.3090 0.5389 IR Inten -- 0.0222 0.3662 0.0213 Raman Activ -- 1.8553 12.5059 2.8046 Depolar (P) -- 0.6416 0.6282 0.7453 Depolar (U) -- 0.7817 0.7717 0.8541 Atom AN X Y Z X Y Z X Y Z 1 29 -0.08 0.01 -0.01 0.00 0.01 -0.12 0.03 0.02 0.02 2 29 -0.20 -0.17 -0.07 -0.15 0.43 0.11 -0.14 -0.06 -0.05 3 29 0.01 -0.41 0.45 0.17 -0.06 -0.05 0.50 -0.17 -0.29 4 29 0.05 0.40 -0.35 -0.05 0.05 -0.18 0.30 0.30 0.46 5 29 0.16 0.24 -0.16 0.16 -0.18 0.05 -0.17 0.08 -0.05 6 29 -0.16 0.01 -0.04 -0.02 -0.08 -0.02 -0.37 -0.09 -0.07 7 29 0.23 -0.05 0.18 -0.06 -0.28 0.09 -0.13 -0.08 -0.03 8 29 -0.03 0.03 0.01 0.01 -0.10 0.04 -0.02 0.02 0.02 9 6 -0.02 -0.14 -0.05 -0.13 0.47 0.15 -0.04 -0.05 -0.03 10 8 0.06 -0.12 -0.06 -0.11 0.44 0.23 0.04 -0.04 -0.01 13 14 15 A A A Frequencies -- 139.4940 147.5447 152.8203 Red. masses -- 61.7045 61.3943 61.5163 Frc consts -- 0.7074 0.7875 0.8465 IR Inten -- 0.2483 0.0347 1.3159 Raman Activ -- 16.3367 8.7051 2.5477 Depolar (P) -- 0.1317 0.1041 0.6763 Depolar (U) -- 0.2328 0.1886 0.8069 Atom AN X Y Z X Y Z X Y Z 1 29 -0.02 -0.18 0.33 0.08 -0.42 -0.21 0.27 0.03 0.30 2 29 -0.08 -0.06 0.26 0.05 -0.10 -0.05 -0.35 0.08 -0.23 3 29 -0.14 0.29 -0.30 -0.03 0.06 -0.15 -0.32 -0.15 -0.07 4 29 0.15 0.35 -0.27 0.06 0.12 -0.14 0.37 -0.24 0.03 5 29 -0.32 -0.06 0.03 0.25 0.02 0.28 0.05 0.15 0.16 6 29 0.02 -0.14 -0.02 -0.15 0.14 0.42 -0.01 0.42 -0.09 7 29 0.30 0.00 0.16 -0.30 -0.03 0.19 -0.03 -0.21 -0.04 8 29 0.10 -0.21 -0.21 0.01 0.26 -0.33 0.05 -0.13 -0.07 9 6 -0.04 0.01 0.13 0.03 -0.10 -0.07 -0.11 0.08 -0.04 10 8 -0.01 0.08 -0.01 0.03 -0.12 -0.03 0.00 0.07 0.05 16 17 18 A A A Frequencies -- 153.6918 187.2193 202.2701 Red. masses -- 61.2570 56.2603 60.0740 Frc consts -- 0.8525 1.1619 1.4481 IR Inten -- 0.6944 1.1121 0.1393 Raman Activ -- 2.8411 29.0184 32.6331 Depolar (P) -- 0.5215 0.0226 0.0051 Depolar (U) -- 0.6855 0.0442 0.0101 Atom AN X Y Z X Y Z X Y Z 1 29 0.46 0.10 -0.12 0.05 -0.11 -0.06 -0.06 -0.12 0.39 2 29 -0.48 -0.20 0.02 -0.02 0.15 0.07 0.01 -0.13 0.05 3 29 0.16 0.31 0.05 0.15 -0.14 0.19 0.50 0.00 -0.14 4 29 -0.27 -0.06 -0.04 -0.14 -0.18 0.13 -0.39 -0.16 -0.28 5 29 -0.04 0.23 0.09 -0.27 0.03 -0.25 0.03 0.00 0.05 6 29 0.10 -0.26 0.14 -0.14 0.22 0.40 -0.05 0.43 -0.17 7 29 0.11 -0.20 -0.15 0.27 0.11 -0.14 -0.03 0.00 0.03 8 29 -0.03 0.13 0.03 0.13 -0.17 -0.39 -0.03 0.05 0.08 9 6 -0.11 -0.11 -0.02 -0.05 0.23 0.11 0.02 -0.18 0.03 10 8 0.05 -0.06 -0.04 -0.06 0.24 0.09 0.04 -0.12 -0.09 19 20 21 A A A Frequencies -- 208.9642 234.9728 286.3864 Red. masses -- 60.3357 55.4805 13.0380 Frc consts -- 1.5523 1.8048 0.6300 IR Inten -- 0.0394 0.2944 4.6885 Raman Activ -- 4.4984 9.0560 3.9937 Depolar (P) -- 0.6826 0.7325 0.1592 Depolar (U) -- 0.8113 0.8456 0.2747 Atom AN X Y Z X Y Z X Y Z 1 29 0.49 0.12 0.10 -0.19 0.64 0.10 0.00 0.01 0.00 2 29 0.35 0.04 0.06 0.02 -0.12 -0.02 0.01 0.03 -0.09 3 29 -0.02 -0.07 0.16 0.06 0.04 -0.08 0.00 0.01 0.00 4 29 0.01 0.09 -0.21 -0.04 0.02 -0.08 0.00 0.01 0.00 5 29 -0.38 0.03 -0.25 0.18 -0.03 0.10 0.00 -0.01 0.00 6 29 0.00 0.00 0.01 -0.06 -0.04 0.28 0.00 -0.01 0.02 7 29 -0.47 -0.20 0.13 -0.15 -0.08 0.03 0.00 -0.01 0.00 8 29 -0.01 0.00 0.00 0.14 -0.33 -0.26 0.00 0.00 0.00 9 6 0.21 0.00 0.02 0.05 -0.23 -0.14 -0.10 -0.37 0.85 10 8 -0.05 -0.05 -0.03 0.07 -0.25 -0.10 0.03 0.16 -0.31 22 23 24 A A A Frequencies -- 313.2463 379.7238 2004.1702 Red. masses -- 12.8526 19.9558 13.3615 Frc consts -- 0.7430 1.6953 31.6209 IR Inten -- 0.5054 5.8336 1274.9002 Raman Activ -- 4.1823 13.2513 730.8565 Depolar (P) -- 0.7499 0.1097 0.7134 Depolar (U) -- 0.8571 0.1977 0.8327 Atom AN X Y Z X Y Z X Y Z 1 29 0.02 0.00 0.00 -0.01 0.04 0.02 0.00 0.00 0.00 2 29 0.08 0.01 0.02 0.08 -0.31 -0.12 0.00 0.01 0.00 3 29 0.00 0.00 0.01 0.01 0.01 -0.01 0.00 0.00 0.00 4 29 0.01 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 5 29 0.00 0.01 0.00 0.02 0.00 0.01 0.00 0.00 0.00 6 29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 29 0.00 -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 8 29 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 9 6 -0.90 -0.16 -0.18 -0.15 0.59 0.21 0.19 -0.73 -0.31 10 8 0.33 0.06 0.07 -0.16 0.61 0.27 -0.13 0.52 0.22 ------------------- - 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 29 and mass 62.92960 Atom 9 has atomic number 6 and mass 12.00000 Atom 10 has atomic number 8 and mass 15.99491 Molecular mass: 531.43171 amu. Principal axes and moments of inertia in atomic units: 1 2 3 EIGENVALUES -- 4594.069127897.649678562.24431 X -0.23620 0.96561 -0.10863 Y 0.95504 0.21008 -0.20920 Z 0.17919 0.15316 0.97182 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.01885 0.01097 0.01012 Rotational constants (GHZ): 0.39284 0.22852 0.21078 Zero-point vibrational energy 31817.9 (Joules/Mol) 7.60467 (Kcal/Mol) Warning -- explicit consideration of 23 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 33.54 38.73 42.65 72.31 80.10 (Kelvin) 114.60 138.34 138.73 140.16 164.09 170.62 174.04 200.70 212.28 219.87 221.13 269.37 291.02 300.65 338.07 412.05 450.69 546.34 2883.55 Zero-point correction= 0.012119 (Hartree/Particle) Thermal correction to Energy= 0.030313 Thermal correction to Enthalpy= 0.031257 Thermal correction to Gibbs Free Energy= -0.041543 Sum of electronic and zero-point Energies= -1682.732498 Sum of electronic and thermal Energies= -1682.714304 Sum of electronic and thermal Enthalpies= -1682.713360 Sum of electronic and thermal Free Energies= -1682.786160 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 19.022 49.287 153.221 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 44.697 Rotational 0.889 2.981 34.096 Vibrational 17.244 43.325 74.428 Vibration 1 0.593 1.985 6.330 Vibration 2 0.593 1.984 6.044 Vibration 3 0.593 1.984 5.853 Vibration 4 0.595 1.977 4.807 Vibration 5 0.596 1.975 4.605 Vibration 6 0.600 1.963 3.900 Vibration 7 0.603 1.952 3.531 Vibration 8 0.603 1.952 3.525 Vibration 9 0.603 1.951 3.505 Vibration 10 0.607 1.938 3.199 Vibration 11 0.609 1.934 3.123 Vibration 12 0.609 1.932 3.085 Vibration 13 0.615 1.914 2.811 Vibration 14 0.617 1.905 2.704 Vibration 15 0.619 1.900 2.637 Vibration 16 0.619 1.899 2.626 Vibration 17 0.632 1.857 2.255 Vibration 18 0.639 1.837 2.112 Vibration 19 0.642 1.827 2.053 Vibration 20 0.655 1.787 1.841 Vibration 21 0.684 1.699 1.495 Vibration 22 0.701 1.648 1.345 Vibration 23 0.750 1.513 1.040 Q Log10(Q) Ln(Q) Total Bot 0.128366D+20 19.108449 43.998831 Total V=0 0.481622D+25 24.682706 56.834031 Vib (Bot) 0.422508D+04 3.625835 8.348794 Vib (Bot) 1 0.888452D+01 0.948634 2.184310 Vib (Bot) 2 0.769255D+01 0.886070 2.040252 Vib (Bot) 3 0.698408D+01 0.844109 1.943634 Vib (Bot) 4 0.411313D+01 0.614172 1.414183 Vib (Bot) 5 0.371116D+01 0.569509 1.311343 Vib (Bot) 6 0.258582D+01 0.412599 0.950044 Vib (Bot) 7 0.213599D+01 0.329598 0.758928 Vib (Bot) 8 0.212994D+01 0.328368 0.756095 Vib (Bot) 9 0.210768D+01 0.323805 0.745590 Vib (Bot) 10 0.179428D+01 0.253889 0.584602 Vib (Bot) 11 0.172384D+01 0.236497 0.544555 Vib (Bot) 12 0.168903D+01 0.227636 0.524152 Vib (Bot) 13 0.145786D+01 0.163717 0.376973 Vib (Bot) 14 0.137525D+01 0.138383 0.318639 Vib (Bot) 15 0.132576D+01 0.122464 0.281983 Vib (Bot) 16 0.131790D+01 0.119883 0.276040 Vib (Bot) 17 0.107009D+01 0.029420 0.067742 Vib (Bot) 18 0.984928D+00 -0.006596 -0.015187 Vib (Bot) 19 0.950874D+00 -0.021877 -0.050374 Vib (Bot) 20 0.836378D+00 -0.077598 -0.178675 Vib (Bot) 21 0.669055D+00 -0.174538 -0.401889 Vib (Bot) 22 0.602514D+00 -0.220033 -0.506644 Vib (Bot) 23 0.476242D+00 -0.322172 -0.741828 Vib (V=0) 0.158523D+10 9.200092 21.183994 Vib (V=0) 1 0.939858D+01 0.973062 2.240558 Vib (V=0) 2 0.820878D+01 0.914279 2.105205 Vib (V=0) 3 0.750196D+01 0.875175 2.015164 Vib (V=0) 4 0.464341D+01 0.666837 1.535448 Vib (V=0) 5 0.424469D+01 0.627846 1.445668 Vib (V=0) 6 0.313372D+01 0.496060 1.142221 Vib (V=0) 7 0.269373D+01 0.430353 0.990925 Vib (V=0) 8 0.268784D+01 0.429404 0.988739 Vib (V=0) 9 0.266618D+01 0.425889 0.980646 Vib (V=0) 10 0.236264D+01 0.373398 0.859780 Vib (V=0) 11 0.229489D+01 0.360762 0.830685 Vib (V=0) 12 0.226148D+01 0.354393 0.816019 Vib (V=0) 13 0.204122D+01 0.309891 0.713549 Vib (V=0) 14 0.196333D+01 0.292993 0.674640 Vib (V=0) 15 0.191691D+01 0.282601 0.650714 Vib (V=0) 16 0.190956D+01 0.280933 0.646873 Vib (V=0) 17 0.168114D+01 0.225604 0.519472 Vib (V=0) 18 0.160457D+01 0.205360 0.472858 Vib (V=0) 19 0.157432D+01 0.197093 0.453823 Vib (V=0) 20 0.147444D+01 0.168626 0.388276 Vib (V=0) 21 0.133525D+01 0.125561 0.289115 Vib (V=0) 22 0.128296D+01 0.108212 0.249168 Vib (V=0) 23 0.119051D+01 0.075734 0.174383 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.481533D+09 8.682626 19.992486 Rotational 0.630940D+07 6.799988 15.657551 Cu8CO02_001 IR Spectrum 2 0 3 3222211111111 0 8 1830085543211999855322 4 0 3659274389194766060073 X X XXX XXXX X X XXXXX X X X X X X X X X X X X X X X X X X X X Cu8CO02_001 Raman Spectrum 2 0 3 3222211111111 0 8 1830085543211999855322 4 0 3659274389194766060073 X X XXXXXXXXXXXXXXXXXXXXXX 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 -0.000430898 -0.000016934 0.001278253 2 29 -0.000164254 0.000852459 -0.001268694 3 29 -0.000017871 0.000034457 0.000039759 4 29 0.000265709 -0.000012813 0.000090155 5 29 -0.000014214 0.000012199 -0.000350472 6 29 0.000146741 -0.000421094 -0.000350606 7 29 -0.000144721 -0.000165583 -0.000187437 8 29 0.000203913 -0.000162677 0.000011111 9 6 0.000333477 -0.000109157 0.000923060 10 8 -0.000177882 -0.000010859 -0.000185129 ------------------------------------------------------------------- Cartesian Forces: Max 0.001278253 RMS 0.000443582 Force constants in Cartesian coordinates: 1 2 3 4 5 1 0.517941D-01 2 -0.950045D-02 0.810802D-01 3 -0.398764D-03 0.739880D-02 0.398678D-01 4 0.201604D-02 0.615609D-02 0.309234D-02 0.526322D-01 5 0.640636D-02 -0.221078D-01 -0.983850D-02 -0.219725D-01 0.130624D+00 6 0.288295D-02 -0.851824D-02 -0.318471D-02 -0.544401D-02 0.365962D-01 7 -0.672387D-02 0.512093D-03 0.107463D-01 -0.219313D-02 -0.749013D-02 8 -0.741866D-03 0.711505D-03 -0.620858D-03 -0.555465D-02 -0.109619D-01 9 0.108631D-01 -0.188584D-02 -0.101578D-01 0.429552D-02 0.701088D-02 10 -0.159212D-03 -0.416146D-03 -0.590366D-02 -0.350262D-02 0.688202D-02 11 0.194635D-03 0.553991D-03 -0.366813D-02 0.621970D-02 -0.625106D-02 12 -0.560640D-02 -0.502660D-02 -0.156501D-01 -0.738710D-02 0.756858D-02 13 -0.262497D-01 0.115730D-01 -0.429113D-02 -0.114855D-01 -0.110689D-01 14 0.978558D-02 -0.338217D-02 0.152939D-02 -0.714025D-02 -0.664621D-02 15 -0.769319D-02 0.323038D-02 0.690179D-03 -0.953042D-02 -0.876933D-02 16 0.675732D-03 -0.976368D-03 -0.913738D-03 -0.902566D-03 0.155668D-03 17 -0.554897D-03 -0.124976D-01 0.161622D-01 -0.271379D-03 -0.142662D-02 18 -0.126499D-02 0.174695D-01 -0.115200D-01 0.105239D-03 -0.312020D-03 19 -0.171173D-01 -0.171060D-01 -0.442223D-02 -0.238462D-01 0.828685D-02 20 -0.149295D-01 -0.130515D-01 -0.331267D-02 0.366378D-02 -0.960305D-03 21 -0.172628D-02 -0.129052D-02 0.149314D-02 0.688085D-02 -0.207848D-02 22 -0.340714D-02 0.100274D-01 0.238950D-02 -0.102593D-02 -0.261254D-03 23 0.955983D-02 -0.316598D-01 -0.798253D-02 -0.475821D-04 -0.161885D-03 24 0.320762D-02 -0.114843D-01 -0.170671D-02 -0.112392D-03 0.502440D-03 25 -0.181131D-02 -0.229167D-03 -0.509656D-03 -0.173937D-01 0.151032D-01 26 -0.159164D-03 -0.817704D-03 0.376166D-03 0.147591D-01 -0.733781D-01 27 -0.432335D-03 -0.288330D-04 0.451016D-04 0.632857D-02 -0.238379D-01 28 0.982649D-03 -0.403719D-04 0.211044D-03 0.570142D-02 0.395880D-02 29 -0.605389D-04 0.117078D-02 -0.438231D-04 0.418770D-02 -0.873026D-02 30 0.168313D-03 0.135698D-03 0.123072D-03 0.177141D-02 -0.684191D-02 6 7 8 9 10 6 0.398479D-01 7 0.315434D-02 0.481239D-01 8 0.358942D-02 -0.152724D-03 0.254600D-01 9 -0.288888D-03 -0.611953D-02 -0.735610D-02 0.286898D-01 10 -0.500098D-02 -0.261098D-01 -0.432731D-02 -0.375542D-02 0.379304D-01 11 0.438944D-02 -0.529574D-02 0.229699D-03 -0.144385D-02 0.811431D-02 12 -0.389995D-02 -0.616673D-02 -0.174537D-02 0.131942D-02 0.113939D-01 13 -0.950043D-02 -0.922569D-03 0.240262D-02 -0.671487D-02 -0.204020D-02 14 -0.568977D-02 0.112767D-02 -0.195821D-02 0.499182D-02 0.196748D-03 15 -0.762042D-02 -0.358095D-02 0.615742D-02 -0.170277D-01 -0.117122D-02 16 -0.208208D-03 -0.924083D-02 0.848451D-02 0.173188D-02 -0.137256D-02 17 0.160585D-02 0.120915D-01 -0.109462D-01 -0.178403D-02 -0.720811D-02 18 -0.140258D-02 0.696849D-03 -0.528416D-03 0.147567D-02 -0.203210D-02 19 0.595626D-02 -0.233052D-02 -0.203233D-03 0.200158D-04 -0.379945D-02 20 -0.716765D-03 -0.537576D-03 -0.149812D-02 0.875942D-04 -0.330487D-02 21 -0.145391D-02 0.795352D-03 0.128771D-02 -0.199941D-02 0.626013D-02 22 0.945031D-04 -0.342868D-03 0.103743D-02 0.984681D-04 -0.198516D-03 23 -0.836831D-03 0.429288D-04 -0.365870D-03 0.447698D-03 -0.185588D-03 24 -0.969518D-03 0.317155D-03 -0.140357D-02 -0.157848D-02 0.701388D-03 25 0.607537D-02 -0.457347D-03 -0.161631D-02 -0.955056D-03 -0.120399D-02 26 -0.223938D-01 -0.686916D-03 0.830932D-04 0.167271D-03 0.919613D-05 27 -0.245721D-01 0.115656D-03 0.144521D-02 -0.633966D-03 -0.906024D-03 28 0.199022D-02 0.196963D-03 0.671524D-03 0.535913D-03 0.455914D-03 29 -0.802555D-02 0.388901D-03 -0.753984D-03 -0.235443D-03 0.239746D-03 30 0.354416D-02 0.415565D-04 -0.825458D-03 0.201343D-03 0.414024D-03 11 12 13 14 15 11 0.288114D-01 12 -0.327268D-02 0.357527D-01 13 -0.512618D-03 -0.160553D-03 0.427235D-01 14 -0.139184D-02 0.315843D-03 -0.293508D-02 0.145159D-01 15 0.827358D-03 -0.239428D-02 0.217313D-01 -0.183622D-03 0.272087D-01 16 -0.448245D-02 -0.247259D-02 -0.217413D-03 0.107828D-02 -0.523415D-03 17 -0.170736D-01 -0.624738D-02 0.265122D-03 -0.404307D-03 0.751454D-04 18 -0.355156D-02 0.670084D-04 0.404986D-03 0.864338D-03 -0.122984D-02 19 -0.475819D-02 0.960202D-02 -0.130101D-02 -0.419151D-03 0.791601D-03 20 -0.396819D-02 0.779348D-02 0.811256D-04 -0.250647D-03 -0.789007D-04 21 0.735567D-02 -0.135088D-01 -0.138771D-02 -0.581736D-03 0.499004D-03 22 -0.161330D-03 0.439553D-03 0.132684D-03 0.333524D-05 0.631542D-03 23 -0.621281D-03 0.474489D-03 -0.161752D-03 0.132308D-03 -0.409025D-03 24 -0.143077D-02 -0.126634D-02 -0.640442D-04 0.272219D-03 0.519506D-03 25 0.583782D-03 0.696463D-03 -0.941608D-03 -0.326030D-02 -0.106661D-02 26 0.612967D-03 0.509346D-03 0.589884D-03 0.684071D-03 -0.962489D-03 27 0.167426D-02 -0.553909D-03 0.676404D-04 -0.172997D-02 -0.101442D-02 28 0.979063D-04 -0.338525D-03 0.301695D-03 0.156317D-02 0.411368D-03 29 -0.902020D-03 -0.369712D-03 -0.233347D-03 -0.129886D-02 0.113056D-03 30 -0.879729D-03 0.134181D-03 -0.851801D-04 0.211481D-03 0.369238D-03 16 17 18 19 20 16 0.137975D-01 17 -0.643018D-02 0.457075D-01 18 -0.759019D-02 -0.334016D-02 0.449861D-01 19 0.922470D-04 -0.960434D-04 -0.162720D-03 0.496554D-01 20 -0.106410D-02 -0.907077D-03 0.429836D-03 0.142061D-01 0.202929D-01 21 0.882877D-03 0.208406D-03 -0.108093D-02 -0.119093D-01 -0.364699D-02 22 -0.302566D-02 0.173082D-02 0.953603D-02 0.215804D-03 0.559086D-04 23 0.262865D-02 -0.157682D-02 -0.935531D-02 0.388153D-03 0.414809D-03 24 0.888956D-02 -0.554334D-02 -0.317392D-01 -0.107690D-03 0.235249D-03 25 0.561412D-03 0.819649D-03 0.478602D-03 -0.226147D-02 0.265496D-02 26 0.962949D-03 -0.138525D-02 -0.259577D-02 -0.118180D-02 0.144472D-02 27 0.290809D-03 -0.183718D-02 0.104546D-02 0.675264D-04 -0.605443D-03 28 -0.367895D-03 -0.346482D-03 -0.171716D-03 0.692610D-03 -0.825870D-03 29 -0.356961D-03 0.510051D-03 0.919606D-03 0.883347D-03 -0.151664D-02 30 -0.869855D-04 0.700527D-03 -0.601658D-03 0.164530D-03 -0.185394D-03 21 22 23 24 25 21 0.161008D-01 22 -0.485507D-03 0.699138D-02 23 -0.531095D-03 -0.126841D-01 0.353996D-01 24 0.257242D-03 -0.127450D-01 0.182297D-01 0.358659D-01 25 0.104416D-02 0.119002D-02 0.584810D-03 -0.665890D-04 0.930575D-01 26 -0.942446D-03 0.380568D-03 -0.175846D-02 0.789048D-03 -0.219456D+00 27 -0.588448D-03 0.804051D-04 0.249698D-03 0.911395D-03 -0.932393D-01 28 -0.354568D-03 -0.529771D-03 -0.125356D-03 -0.200488D-04 -0.707395D-01 29 0.219479D-03 -0.128801D-03 0.197343D-03 -0.166652D-03 0.204815D+00 30 0.281295D-03 -0.395417D-04 -0.286766D-03 -0.293826D-03 0.875426D-01 26 27 28 29 30 26 0.884701D+00 27 0.366338D+00 0.186981D+00 28 0.204782D+00 0.876271D-01 0.633059D-01 29 -0.810186D+00 -0.341668D+00 -0.209735D+00 0.821509D+00 30 -0.341285D+00 -0.161620D+00 -0.898908D-01 0.349257D+00 0.157862D+00 Leave Link 716 at Mon Apr 14 14:11:23 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000399828 RMS 0.000141111 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 --- -0.00010 0.00000 0.00049 0.00156 0.00483 Eigenvalues --- 0.00537 0.00763 0.01209 0.01263 0.01406 Eigenvalues --- 0.01642 0.01665 0.01928 0.02068 0.02401 Eigenvalues --- 0.02575 0.02794 0.03424 0.03747 0.06325 Eigenvalues --- 0.07481 0.08696 0.17116 1.02580 999.97631 Eigenvalues --- 999.98992 999.99143 999.99591 999.99682 999.99853 Eigenvalues --- 999.99892 999.99902 999.99935 999.99943 999.99954 Eigenvalues --- 999.99965 999.99968 999.99970 999.99978 999.99983 Eigenvalues --- 999.99987 999.99990 999.99992 999.99994 999.99995 Eigenvalues --- 999.99997 999.99998 999.999991000.000001000.00002 Eigenvalues --- 1000.000051000.000091000.000121000.000201000.00026 Eigenvalues --- 1000.000271000.000321000.000471000.000781000.00083 Eigenvalues --- 1000.001351000.001411000.001981000.002741000.00453 Eigenvalues --- 1000.006851000.009841000.02559 Eigenvalue 1 out of range, new value = 0.000099 Eigenvector: 1 R1 0.00631 R2 0.03278 R3 0.03901 R4 -0.00086 R5 0.02687 R6 0.00385 R7 0.00972 R8 -0.00508 R9 -0.01327 R10 0.00048 R11 -0.02181 R12 -0.01734 R13 -0.00261 R14 0.00741 R15 -0.01088 R16 0.15381 R17 -0.00005 A1 -0.01152 A2 0.00267 A3 -0.02250 A4 -0.02686 A5 -0.00834 A6 -0.00684 A7 -0.01094 A8 -0.02015 A9 -0.01259 A10 -0.01282 A11 -0.01383 A12 0.00267 A13 -0.01383 A14 0.00923 A15 0.08550 A16 0.00504 A17 -0.06146 A18 -0.00350 A19 0.00189 A20 0.00443 A21 0.00430 A22 0.01081 A23 -0.03050 A24 -0.00385 A25 -0.01833 A26 -0.00404 A27 -0.04348 A28 0.08917 D1 0.47005 D2 0.48038 D3 0.47562 D4 0.39698 D5 0.00406 D6 0.01531 D7 -0.01525 D8 -0.02731 D9 -0.00735 D10 0.06319 D11 0.00342 D12 -0.16095 D13 0.27518 D14 0.00533 D15 0.01774 D16 -0.00045 D17 -0.00102 D18 0.00044 D19 0.03123 D20 -0.00742 D21 0.00186 D22 -0.04469 D23 -0.02619 Quadratic step=1.911D+00 exceeds max=3.000D-01 adjusted using Lamda=-2.824D-04. Angle between NR and scaled steps= 69.37 degrees. Angle between quadratic step and forces= 69.05 degrees. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00295314 RMS(Int)= 0.82645760 Iteration 2 RMS(Cart)= 0.01755997 RMS(Int)= 0.81394482 Iteration 3 RMS(Cart)= 0.01804229 RMS(Int)= 0.78226623 Iteration 4 RMS(Cart)= 0.01552045 RMS(Int)= 0.74815479 Iteration 5 RMS(Cart)= 0.01454168 RMS(Int)= 0.71537770 Iteration 6 RMS(Cart)= 0.01532278 RMS(Int)= 0.68289195 Iteration 7 RMS(Cart)= 0.01806808 RMS(Int)= 0.64835884 Iteration 8 RMS(Cart)= 0.01982563 RMS(Int)= 0.61389000 Iteration 9 RMS(Cart)= 0.00396433 RMS(Int)= 0.60824274 Iteration 10 RMS(Cart)= 0.00308476 RMS(Int)= 0.60361835 Iteration 11 RMS(Cart)= 0.00276925 RMS(Int)= 0.59927611 Iteration 12 RMS(Cart)= 0.00263121 RMS(Int)= 0.59496708 Iteration 13 RMS(Cart)= 0.00257101 RMS(Int)= 0.59056610 Iteration 14 RMS(Cart)= 0.00255223 RMS(Int)= 0.58598563 Iteration 15 RMS(Cart)= 0.00255964 RMS(Int)= 0.58113660 Iteration 16 RMS(Cart)= 0.00258830 RMS(Int)= 0.57587735 Iteration 17 RMS(Cart)= 0.00264331 RMS(Int)= 0.56981701 Iteration 18 RMS(Cart)= 0.00275482 RMS(Int)= 0.55920287 Iteration 19 RMS(Cart)= 0.00328188 RMS(Int)= 0.51322235 Iteration 20 RMS(Cart)= 0.02901221 RMS(Int)= 0.47074882 Iteration 21 RMS(Cart)= 0.01617610 RMS(Int)= 0.42088271 Iteration 22 RMS(Cart)= 0.00843583 RMS(Int)= 0.36668953 Iteration 23 RMS(Cart)= 0.00700502 RMS(Int)= 0.31342609 Iteration 24 RMS(Cart)= 0.00546400 RMS(Int)= 0.26376273 Iteration 25 RMS(Cart)= 0.00382559 RMS(Int)= 0.22124053 Iteration 26 RMS(Cart)= 0.00225330 RMS(Int)= 0.19222787 Iteration 27 RMS(Cart)= 0.00088943 RMS(Int)= 0.18364457 Iteration 28 RMS(Cart)= 0.00059837 RMS(Int)= 0.17885225 Iteration 29 RMS(Cart)= 0.00056034 RMS(Int)= 0.17461888 Iteration 30 RMS(Cart)= 0.00055068 RMS(Int)= 0.17061257 Iteration 31 RMS(Cart)= 0.00055009 RMS(Int)= 0.16671413 Iteration 32 RMS(Cart)= 0.00055346 RMS(Int)= 0.16285666 Iteration 33 RMS(Cart)= 0.00055897 RMS(Int)= 0.15898512 Iteration 34 RMS(Cart)= 0.00056601 RMS(Int)= 0.15503379 Iteration 35 RMS(Cart)= 0.00057459 RMS(Int)= 0.15089237 Iteration 36 RMS(Cart)= 0.00058539 RMS(Int)= 0.14629990 Iteration 37 RMS(Cart)= 0.00060066 RMS(Int)= 0.14018718 Iteration 38 RMS(Cart)= 0.00063032 RMS(Int)= 0.68073057 Iteration 39 RMS(Cart)= 0.00000000 RMS(Int)= 0.68073057 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.72419 -0.00021 0.00000 0.00554 -0.00062 4.72357 R2 4.85519 0.00012 0.00000 0.05498 0.06914 4.92433 R3 4.87645 0.00004 0.00000 0.04325 0.01862 4.89507 R4 4.63390 -0.00006 0.00000 0.00941 0.05440 4.68830 R5 4.67959 0.00006 0.00000 0.02935 0.01538 4.69498 R6 4.63494 0.00022 0.00000 0.01202 -0.02175 4.61319 R7 4.56918 -0.00029 0.00000 0.00174 0.02978 4.59896 R8 4.89615 -0.00017 0.00000 -0.01512 -0.02851 4.86764 R9 4.70768 -0.00009 0.00000 -0.01225 0.03498 4.74265 R10 3.58500 -0.00008 0.00000 0.00010 0.00884 3.59383 R11 4.78002 -0.00027 0.00000 -0.03390 -0.03725 4.74277 R12 4.78100 -0.00018 0.00000 -0.03033 -0.01254 4.76846 R13 4.76174 -0.00004 0.00000 -0.00322 0.00369 4.76543 R14 8.15524 0.00002 0.00000 -0.04098 -0.08870 8.06654 R15 4.57823 0.00014 0.00000 -0.00432 0.02131 4.59954 R16 7.24336 -0.00004 0.00000 0.06664 0.05778 7.30114 R17 2.20881 0.00004 0.00000 0.00003 0.00004 2.20885 A1 1.06965 -0.00013 0.00000 -0.01390 0.01373 1.08337 A2 1.05480 -0.00016 0.00000 -0.00104 -0.04630 1.00849 A3 1.95604 -0.00016 0.00000 -0.03168 -0.01544 1.94060 A4 2.97847 -0.00010 0.00000 -0.02227 -0.01184 2.96663 A5 1.00892 -0.00006 0.00000 -0.01208 -0.00615 1.00277 A6 1.05667 -0.00031 0.00000 -0.01551 -0.02418 1.03249 A7 1.89627 -0.00004 0.00000 -0.01685 -0.01200 1.88427 A8 1.97297 -0.00004 0.00000 -0.03437 -0.05879 1.91418 A9 1.89979 -0.00040 0.00000 -0.02208 -0.03178 1.86801 A10 1.91157 0.00003 0.00000 -0.00101 0.03648 1.94805 A11 1.96262 -0.00026 0.00000 -0.02694 -0.03267 1.92995 A12 2.01445 -0.00004 0.00000 0.00237 -0.02378 1.99067 A13 1.94675 -0.00009 0.00000 -0.01524 0.01021 1.95696 A14 2.05448 0.00001 0.00000 0.03780 0.10837 2.16285 A15 3.14159 0.00015 0.00000 0.04306 -0.00005 3.14154 A16 1.86374 0.00013 0.00000 0.01056 0.00047 1.86422 A17 2.08412 -0.00017 0.00000 -0.04156 -0.02047 2.06365 A18 1.87478 -0.00007 0.00000 -0.00520 0.00858 1.88336 A19 1.87818 0.00006 0.00000 0.00760 0.01020 1.88838 A20 1.02869 0.00001 0.00000 0.00663 0.00978 1.03847 A21 1.99484 -0.00005 0.00000 -0.00356 -0.02382 1.97102 A22 1.93840 -0.00003 0.00000 0.02392 0.05033 1.98873 A23 1.49766 -0.00009 0.00000 -0.01382 -0.00725 1.49041 A24 1.08648 -0.00014 0.00000 -0.00586 0.01144 1.09792 A25 1.25762 -0.00015 0.00000 -0.01491 0.00645 1.26407 A26 1.19315 -0.00016 0.00000 -0.00053 0.00917 1.20231 A27 3.14003 0.00020 0.00000 -0.01388 -0.02175 3.11828 A28 2.55307 -0.00015 0.00000 0.03629 0.02395 2.57702 D1 -1.08271 -0.00006 0.00000 0.09414 -2.30935 2.89112 D2 2.80507 0.00025 0.00000 0.11316 -2.29697 0.50810 D3 -1.66110 -0.00001 0.00000 0.09631 -2.34050 2.28158 D4 -1.27381 -0.00012 0.00000 -0.15007 -3.04104 1.96833 D5 0.68909 -0.00002 0.00000 -0.00062 0.00299 0.69207 D6 -0.45456 0.00035 0.00000 0.02257 0.03757 -0.41699 D7 1.81352 -0.00014 0.00000 -0.02843 -0.01994 1.79358 D8 2.95949 -0.00011 0.00000 -0.03286 0.00379 2.96327 D9 0.10456 -0.00004 0.00000 -0.00220 0.03235 0.13691 D10 2.58612 0.00002 0.00000 0.02616 0.02404 2.61016 D11 0.58891 0.00001 0.00000 -0.00155 -0.01847 0.57044 D12 -2.86022 0.00006 0.00000 -0.04297 2.32213 -0.53808 D13 1.17397 -0.00006 0.00000 0.03759 0.01972 1.19369 D14 -0.71415 0.00008 0.00000 0.00506 -0.01801 -0.73216 D15 1.04619 0.00007 0.00000 0.03833 0.05783 1.10402 D16 1.78713 0.00011 0.00000 0.00134 -0.01144 1.77569 D17 -0.07033 0.00015 0.00000 0.01639 0.03986 -0.03047 D18 -1.74488 -0.00002 0.00000 0.00587 0.03580 -1.70909 D19 -2.18313 -0.00003 0.00000 0.01792 0.04138 -2.14175 D20 0.01531 -0.00005 0.00000 -0.01941 -0.05218 -0.03687 D21 1.13856 -0.00006 0.00000 -0.00519 -0.03270 1.10586 D22 3.14045 0.00013 0.00000 -0.01636 -0.01677 3.12368 D23 -2.05311 0.00013 0.00000 -0.00289 -0.00672 -2.05982 Item Value Threshold Converged? 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File lengths (MBytes): RWF= 95 Int= 0 D2E= 0 Chk= 16 Scr= 1 Normal termination of Gaussian 03 at Mon Apr 14 14:11:24 2008.