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/331902/Gau-30675.inp -scrdir=/scratch/batch/331902/ Entering Link 1 = /usr/apps/chemistry/gaussian/G03/e01/g03/l1.exe PID= 30676. 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 11-Apr-2008 ****************************************** %chk=Cu8CO03.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 Fri Apr 11 13:36:51 2008, MaxMem= 1258291200 cpu: 0.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l101.exe) ------- Cu8CO03 ------- Redundant internal coordinates taken from checkpoint file: Cu8CO03.chk Charge = 0 Multiplicity = 1 Cu,0,0.1789082957,-1.8222404713,0.3350730839 Cu,0,2.1376181626,-1.5930051666,-1.230724791 Cu,0,0.8118014042,0.3396294582,-1.0087127152 Cu,0,-1.6095016123,-0.1671834281,-0.639190991 Cu,0,0.3846468352,-1.1320506437,2.7483280594 Cu,0,-0.7994783149,2.1949689512,-0.5610044537 Cu,0,-2.0635007591,-2.4777438783,-0.6009880637 Cu,0,-0.1875724156,0.6053535475,1.2656869921 C,0,0.6257950565,-3.6516564572,0.7534353279 O,0,0.8968939376,-4.7653472918,1.0093705614 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 Fri Apr 11 13:36:52 2008, MaxMem= 1258291200 cpu: 0.4 (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) 2.5181 estimate D2E/DX2 ! ! R2 R(1,3) 2.623 estimate D2E/DX2 ! ! R3 R(1,4) 2.6243 estimate D2E/DX2 ! ! R4 R(1,5) 2.5184 estimate D2E/DX2 ! ! R5 R(1,6) 4.2306 estimate D2E/DX2 ! ! R6 R(1,7) 2.5168 estimate D2E/DX2 ! ! R7 R(1,8) 2.6256 estimate D2E/DX2 ! ! R8 R(2,3) 2.3542 estimate D2E/DX2 ! ! R9 R(2,9) 3.2343 estimate D2E/DX2 ! ! R10 R(3,4) 2.5012 estimate D2E/DX2 ! ! R11 R(3,6) 2.4978 estimate D2E/DX2 ! ! R12 R(3,8) 2.4984 estimate D2E/DX2 ! ! R13 R(4,6) 2.4984 estimate D2E/DX2 ! ! R14 R(4,7) 2.3551 estimate D2E/DX2 ! ! R15 R(4,8) 2.4995 estimate D2E/DX2 ! ! R16 R(5,8) 2.3546 estimate D2E/DX2 ! ! R17 R(5,9) 3.2228 estimate D2E/DX2 ! ! R18 R(6,8) 2.4976 estimate D2E/DX2 ! ! R19 R(7,9) 3.2318 estimate D2E/DX2 ! ! R20 R(9,10) 1.1744 estimate D2E/DX2 ! ! A1 A(2,1,4) 103.9948 estimate D2E/DX2 ! ! A2 A(2,1,5) 120.4878 estimate D2E/DX2 ! ! A3 A(2,1,6) 87.8073 estimate D2E/DX2 ! ! A4 A(2,1,7) 119.0445 estimate D2E/DX2 ! ! A5 A(2,1,8) 104.1702 estimate D2E/DX2 ! ! A6 A(3,1,5) 104.2013 estimate D2E/DX2 ! ! A7 A(3,1,7) 103.8337 estimate D2E/DX2 ! ! A8 A(4,1,5) 103.8028 estimate D2E/DX2 ! ! A9 A(5,1,6) 87.8007 estimate D2E/DX2 ! ! A10 A(5,1,7) 120.0369 estimate D2E/DX2 ! ! A11 A(6,1,7) 87.8501 estimate D2E/DX2 ! ! A12 A(7,1,8) 104.3755 estimate D2E/DX2 ! ! A13 A(1,2,9) 36.581 estimate D2E/DX2 ! ! A14 A(3,2,9) 101.6207 estimate D2E/DX2 ! ! A15 A(2,3,4) 113.127 estimate D2E/DX2 ! ! A16 A(2,3,6) 171.8844 estimate D2E/DX2 ! ! A17 A(2,3,8) 113.48 estimate D2E/DX2 ! ! A18 A(3,4,7) 112.8184 estimate D2E/DX2 ! ! A19 A(6,4,7) 171.7286 estimate D2E/DX2 ! ! A20 A(7,4,8) 113.6126 estimate D2E/DX2 ! ! A21 A(1,5,9) 36.7456 estimate D2E/DX2 ! ! A22 A(8,5,9) 101.8468 estimate D2E/DX2 ! ! A23 A(1,7,9) 36.6146 estimate D2E/DX2 ! ! A24 A(4,7,9) 101.6981 estimate D2E/DX2 ! ! A25 A(3,8,5) 113.4234 estimate D2E/DX2 ! ! A26 A(4,8,5) 112.9592 estimate D2E/DX2 ! ! A27 A(5,8,6) 171.763 estimate D2E/DX2 ! ! A28 A(2,9,5) 85.244 estimate D2E/DX2 ! ! A29 A(2,9,7) 84.2991 estimate D2E/DX2 ! ! A30 A(2,9,10) 129.0042 estimate D2E/DX2 ! ! A31 A(5,9,7) 85.0187 estimate D2E/DX2 ! ! A32 A(5,9,10) 128.591 estimate D2E/DX2 ! ! A33 A(7,9,10) 128.892 estimate D2E/DX2 ! ! D1 D(4,1,2,9) -150.8086 estimate D2E/DX2 ! ! D2 D(5,1,2,9) 93.5927 estimate D2E/DX2 ! ! D3 D(6,1,2,9) 179.7447 estimate D2E/DX2 ! ! D4 D(7,1,2,9) -93.9364 estimate D2E/DX2 ! ! D5 D(8,1,2,9) 150.3983 estimate D2E/DX2 ! ! D6 D(2,1,5,9) -93.8489 estimate D2E/DX2 ! ! D7 D(3,1,5,9) -150.6997 estimate D2E/DX2 ! ! D8 D(4,1,5,9) 150.4534 estimate D2E/DX2 ! ! D9 D(6,1,5,9) 179.9953 estimate D2E/DX2 ! ! D10 D(7,1,5,9) 93.7549 estimate D2E/DX2 ! ! D11 D(2,1,7,9) 93.9675 estimate D2E/DX2 ! ! D12 D(3,1,7,9) 150.7366 estimate D2E/DX2 ! ! D13 D(5,1,7,9) -93.5268 estimate D2E/DX2 ! ! D14 D(6,1,7,9) -179.7387 estimate D2E/DX2 ! ! D15 D(8,1,7,9) -150.4762 estimate D2E/DX2 ! ! D16 D(9,2,3,4) -33.4917 estimate D2E/DX2 ! ! D17 D(9,2,3,6) -2.7693 estimate D2E/DX2 ! ! D18 D(9,2,3,8) 32.4648 estimate D2E/DX2 ! ! D19 D(1,2,9,5) -42.4079 estimate D2E/DX2 ! ! D20 D(1,2,9,7) 43.0461 estimate D2E/DX2 ! ! D21 D(1,2,9,10) -179.9745 estimate D2E/DX2 ! ! D22 D(3,2,9,5) -41.9797 estimate D2E/DX2 ! ! D23 D(3,2,9,7) 43.4744 estimate D2E/DX2 ! ! D24 D(3,2,9,10) -179.5462 estimate D2E/DX2 ! ! D25 D(2,3,4,7) -0.2963 estimate D2E/DX2 ! ! D26 D(2,3,8,5) -0.1514 estimate D2E/DX2 ! ! D27 D(3,4,7,9) 33.9583 estimate D2E/DX2 ! ! D28 D(6,4,7,9) 5.9121 estimate D2E/DX2 ! ! D29 D(8,4,7,9) -31.9005 estimate D2E/DX2 ! ! D30 D(7,4,8,5) -1.0722 estimate D2E/DX2 ! ! D31 D(9,5,8,3) -32.4076 estimate D2E/DX2 ! ! D32 D(9,5,8,4) 33.5647 estimate D2E/DX2 ! ! D33 D(9,5,8,6) 3.3536 estimate D2E/DX2 ! ! D34 D(1,5,9,2) 42.1999 estimate D2E/DX2 ! ! D35 D(1,5,9,7) -42.4751 estimate D2E/DX2 ! ! D36 D(1,5,9,10) -179.9315 estimate D2E/DX2 ! ! D37 D(8,5,9,2) 41.954 estimate D2E/DX2 ! ! D38 D(8,5,9,7) -42.721 estimate D2E/DX2 ! ! D39 D(8,5,9,10) 179.8227 estimate D2E/DX2 ! ! D40 D(1,7,9,2) -43.0315 estimate D2E/DX2 ! ! D41 D(1,7,9,5) 42.6708 estimate D2E/DX2 ! ! D42 D(1,7,9,10) 179.9046 estimate D2E/DX2 ! ! D43 D(4,7,9,2) -43.7035 estimate D2E/DX2 ! ! D44 D(4,7,9,5) 41.9987 estimate D2E/DX2 ! ! D45 D(4,7,9,10) 179.2326 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 Number of steps in this run= 100 maximum allowed number of steps= 100. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Fri Apr 11 13:36:52 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 0.178908 -1.822240 0.335073 2 29 0 2.137618 -1.593005 -1.230725 3 29 0 0.811801 0.339629 -1.008713 4 29 0 -1.609502 -0.167183 -0.639191 5 29 0 0.384647 -1.132051 2.748328 6 29 0 -0.799478 2.194969 -0.561004 7 29 0 -2.063501 -2.477744 -0.600988 8 29 0 -0.187572 0.605354 1.265687 9 6 0 0.625795 -3.651656 0.753435 10 8 0 0.896894 -4.765347 1.009371 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.518098 0.000000 3 Cu 2.622975 2.354178 0.000000 4 Cu 2.624274 4.052627 2.501222 0.000000 5 Cu 2.518430 4.372442 4.057543 4.047577 0.000000 6 Cu 4.230623 4.839815 2.497789 2.498402 4.839720 7 Cu 2.516802 4.339209 4.046133 2.355051 4.361449 8 Cu 2.625560 4.058493 2.498450 2.499451 2.354619 9 C 1.929118 3.234277 4.366936 4.367781 3.222757 10 O 3.103556 4.076908 5.490054 5.490254 4.060445 6 7 8 9 10 6 Cu 0.000000 7 Cu 4.840826 0.000000 8 Cu 2.497620 4.063136 0.000000 9 C 6.159723 3.231849 4.364184 0.000000 10 O 7.334150 4.073122 5.485088 1.174438 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): 0.3181976 0.2209847 0.2200011 Leave Link 202 at Fri Apr 11 13:36:53 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2026.2015875753 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 Fri Apr 11 13:36:53 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2751 LenP2D= 11243. 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= 617 NPtTot= 106390 NUsed= 110750 NTot= 110782 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 13:36:57 2008, MaxMem= 1258291200 cpu: 9.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Fri Apr 11 13:36:58 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= -1463.86859076698 Leave Link 401 at Fri Apr 11 13:37:01 2008, MaxMem= 1258291200 cpu: 7.9 (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. 110749 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234396. IEnd= 284432 IEndB= 284432 NGot=1258291200 MDV=1012634615 LenX=1012634615 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= -1679.66306094098 DIIS: error= 1.29D-01 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1679.66306094098 IErMin= 1 ErrMin= 1.29D-01 ErrMax= 1.29D-01 EMaxC= 1.00D-01 BMatC= 3.95D+00 BMatP= 3.95D+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= 0.040 Goal= None Shift= 0.000 GapD= 0.040 DampG=0.250 DampE=0.125 DampFc=0.1250 IDamp=-1. Damping current iteration by 1.25D-01 RMSDP=5.65D+00 MaxDP=3.25D+02 OVMax= 9.83D-01 Cycle 2 Pass 1 IDiag 1: E= -1677.36761421728 Delta-E= 2.295446723700 Rises=F Damp=T DIIS: error= 4.10D-02 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1679.66306094098 IErMin= 2 ErrMin= 4.10D-02 ErrMax= 4.10D-02 EMaxC= 1.00D-01 BMatC= 4.18D-01 BMatP= 3.95D+00 IDIUse=3 WtCom= 5.90D-01 WtEn= 4.10D-01 Coeff-Com: -0.880D-01 0.109D+01 Coeff-En: 0.721D+00 0.279D+00 Coeff: 0.244D+00 0.756D+00 Gap= 0.077 Goal= None Shift= 0.000 RMSDP=7.03D-01 MaxDP=4.05D+01 DE= 2.30D+00 OVMax= 9.02D-01 Cycle 3 Pass 1 IDiag 1: E= -1680.66201094059 Delta-E= -3.294396723315 Rises=F Damp=F DIIS: error= 9.78D-02 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1680.66201094059 IErMin= 2 ErrMin= 4.10D-02 ErrMax= 9.78D-02 EMaxC= 1.00D-01 BMatC= 1.58D+00 BMatP= 4.18D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 2 forward-backward iterations Coeff-En: 0.272D+00 0.104D+00 0.624D+00 Coeff: 0.272D+00 0.104D+00 0.624D+00 Gap= 0.939 Goal= None Shift= 0.000 RMSDP=6.82D-01 MaxDP=4.18D+01 DE=-3.29D+00 OVMax= 8.02D-01 Cycle 4 Pass 1 IDiag 1: E= -1509.87944381880 Delta-E= 170.782567121791 Rises=F Damp=F DIIS: error= 5.49D-01 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 3 EnMin= -1680.66201094059 IErMin= 2 ErrMin= 4.10D-02 ErrMax= 5.49D-01 EMaxC= 1.00D-01 BMatC= 1.36D+02 BMatP= 4.18D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 5 forward-backward iterations Coeff-En: 0.316D+00 0.000D+00 0.648D+00 0.353D-01 Coeff: 0.316D+00 0.000D+00 0.648D+00 0.353D-01 Gap= 0.001 Goal= None Shift= 0.000 RMSDP=6.65D-01 MaxDP=3.84D+01 DE= 1.71D+02 OVMax= 9.11D-01 Cycle 5 Pass 1 IDiag 1: E= -1668.60489532750 Delta-E= -158.725451508700 Rises=F Damp=F DIIS: error= 2.17D-01 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 3 EnMin= -1680.66201094059 IErMin= 2 ErrMin= 4.10D-02 ErrMax= 2.17D-01 EMaxC= 1.00D-01 BMatC= 1.86D+01 BMatP= 4.18D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 2 forward-backward iterations Coeff-En: 0.262D+00 0.000D+00 0.567D+00 0.000D+00 0.171D+00 Coeff: 0.262D+00 0.000D+00 0.567D+00 0.000D+00 0.171D+00 Gap= -0.038 Goal= None Shift= 0.000 RMSDP=4.62D-02 MaxDP=2.65D+00 DE=-1.59D+02 OVMax= 8.89D-01 Cycle 6 Pass 1 IDiag 1: E= -1640.79810563774 Delta-E= 27.806789689760 Rises=F Damp=F DIIS: error= 4.24D-01 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 3 EnMin= -1680.66201094059 IErMin= 2 ErrMin= 4.10D-02 ErrMax= 4.24D-01 EMaxC= 1.00D-01 BMatC= 5.24D+01 BMatP= 4.18D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 3 forward-backward iterations Coeff-En: 0.259D+00 0.000D+00 0.561D+00 0.000D+00 0.143D+00 0.377D-01 Coeff: 0.259D+00 0.000D+00 0.561D+00 0.000D+00 0.143D+00 0.377D-01 Gap= -0.103 Goal= None Shift= 0.000 RMSDP=5.26D-02 MaxDP=3.65D+00 DE= 2.78D+01 OVMax= 9.74D-01 Cycle 7 Pass 1 IDiag 1: E= -1681.91410675281 Delta-E= -41.116001115067 Rises=F Damp=F DIIS: error= 8.64D-02 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1681.91410675281 IErMin= 2 ErrMin= 4.10D-02 ErrMax= 8.64D-02 EMaxC= 1.00D-01 BMatC= 9.53D-01 BMatP= 4.18D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 Coeff-En: 0.000D+00 0.000D+00 0.304D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.696D+00 Coeff: 0.000D+00 0.000D+00 0.304D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.696D+00 Gap= 0.152 Goal= None Shift= 0.000 RMSDP=1.63D-02 MaxDP=6.69D-01 DE=-4.11D+01 OVMax= 8.18D-01 Cycle 8 Pass 1 IDiag 1: E= -1660.51289209282 Delta-E= 21.401214659991 Rises=F Damp=F DIIS: error= 5.11D-01 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 7 EnMin= -1681.91410675281 IErMin= 2 ErrMin= 4.10D-02 ErrMax= 5.11D-01 EMaxC= 1.00D-01 BMatC= 3.19D+01 BMatP= 4.18D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 2 forward-backward iterations Coeff-En: 0.000D+00 0.000D+00 0.303D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.666D+00 0.302D-01 Coeff: 0.000D+00 0.000D+00 0.303D+00 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.666D+00 0.302D-01 Gap= 0.001 Goal= None Shift= 0.000 RMSDP=1.13D-02 MaxDP=5.28D-01 DE= 2.14D+01 OVMax= 6.38D-01 Cycle 9 Pass 1 IDiag 1: E= -1681.94771537073 Delta-E= -21.434823277917 Rises=F Damp=F DIIS: error= 6.41D-02 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1681.94771537073 IErMin= 2 ErrMin= 4.10D-02 ErrMax= 6.41D-02 EMaxC= 1.00D-01 BMatC= 1.13D+00 BMatP= 4.18D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 5 forward-backward iterations Coeff-En: 0.000D+00 0.000D+00 0.696D-01 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.480D+00 0.000D+00 0.450D+00 Coeff: 0.000D+00 0.000D+00 0.696D-01 0.000D+00 0.000D+00 0.000D+00 Coeff: 0.480D+00 0.000D+00 0.450D+00 Gap= 0.215 Goal= None Shift= 0.000 RMSDP=7.45D-03 MaxDP=1.88D-01 DE=-2.14D+01 OVMax= 2.84D-01 Cycle 10 Pass 1 IDiag 1: E= -1682.41280118786 Delta-E= -0.465085817126 Rises=F Damp=F DIIS: error= 3.43D-02 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.41280118786 IErMin=10 ErrMin= 3.43D-02 ErrMax= 3.43D-02 EMaxC= 1.00D-01 BMatC= 3.43D-01 BMatP= 4.18D-01 IDIUse=3 WtCom= 6.57D-01 WtEn= 3.43D-01 EnCoef did 4 forward-backward iterations Coeff-Com: -0.184D-01-0.213D-02-0.140D-01-0.901D-03-0.102D-01-0.207D-02 Coeff-Com: 0.357D+00-0.986D-02 0.370D+00 0.330D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.244D+00 0.000D+00 0.269D+00 0.487D+00 Coeff: -0.121D-01-0.140D-02-0.920D-02-0.592D-03-0.669D-02-0.136D-02 Coeff: 0.318D+00-0.648D-02 0.335D+00 0.384D+00 Gap= 0.112 Goal= None Shift= 0.000 RMSDP=5.08D-03 MaxDP=1.17D-01 DE=-4.65D-01 OVMax= 1.49D-01 Cycle 11 Pass 1 IDiag 1: E= -1682.62640380910 Delta-E= -0.213602621239 Rises=F Damp=F DIIS: error= 2.70D-02 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.62640380910 IErMin=11 ErrMin= 2.70D-02 ErrMax= 2.70D-02 EMaxC= 1.00D-01 BMatC= 1.45D-01 BMatP= 3.43D-01 IDIUse=3 WtCom= 7.30D-01 WtEn= 2.70D-01 Coeff-Com: 0.871D-02 0.152D-01-0.331D-01-0.240D-03-0.334D-02-0.534D-03 Coeff-Com: 0.127D+00-0.847D-02 0.106D+00 0.362D+00 0.427D+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 0.297D+00 0.703D+00 Coeff: 0.636D-02 0.111D-01-0.242D-01-0.175D-03-0.244D-02-0.390D-03 Coeff: 0.929D-01-0.618D-02 0.774D-01 0.344D+00 0.502D+00 Gap= 0.117 Goal= None Shift= 0.000 RMSDP=2.07D-03 MaxDP=5.30D-02 DE=-2.14D-01 OVMax= 7.77D-02 Cycle 12 Pass 1 IDiag 1: E= -1682.71285661133 Delta-E= -0.086452802228 Rises=F Damp=F DIIS: error= 5.21D-03 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.71285661133 IErMin=12 ErrMin= 5.21D-03 ErrMax= 5.21D-03 EMaxC= 1.00D-01 BMatC= 4.50D-03 BMatP= 1.45D-01 IDIUse=3 WtCom= 9.48D-01 WtEn= 5.21D-02 Coeff-Com: 0.422D-02 0.567D-02-0.136D-01 0.144D-03 0.488D-03-0.113D-02 Coeff-Com: -0.908D-02-0.188D-02-0.342D-01 0.145D+00 0.289D+00 0.615D+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 0.516D-01 0.948D+00 Coeff: 0.400D-02 0.538D-02-0.129D-01 0.136D-03 0.463D-03-0.107D-02 Coeff: -0.861D-02-0.178D-02-0.324D-01 0.138D+00 0.276D+00 0.633D+00 Gap= 0.120 Goal= None Shift= 0.000 RMSDP=1.21D-03 MaxDP=2.04D-02 DE=-8.65D-02 OVMax= 8.19D-02 Cycle 13 Pass 1 IDiag 1: E= -1682.71815261761 Delta-E= -0.005296006283 Rises=F Damp=F DIIS: error= 2.98D-03 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.71815261761 IErMin=13 ErrMin= 2.98D-03 ErrMax= 2.98D-03 EMaxC= 1.00D-01 BMatC= 2.53D-03 BMatP= 4.50D-03 IDIUse=3 WtCom= 9.70D-01 WtEn= 2.98D-02 Coeff-Com: -0.341D-03 0.159D-02-0.284D-02-0.515D-05-0.359D-03 0.297D-03 Coeff-Com: -0.991D-02-0.222D-03-0.305D-01 0.451D-01 0.103D+00 0.442D+00 Coeff-Com: 0.453D+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 0.318D+00 Coeff-En: 0.682D+00 Coeff: -0.331D-03 0.155D-02-0.276D-02-0.500D-05-0.349D-03 0.288D-03 Coeff: -0.961D-02-0.215D-03-0.296D-01 0.437D-01 0.996D-01 0.438D+00 Coeff: 0.460D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=4.85D-04 MaxDP=7.14D-03 DE=-5.30D-03 OVMax= 2.43D-02 Cycle 14 Pass 1 IDiag 1: E= -1682.72144235920 Delta-E= -0.003289741596 Rises=F Damp=F DIIS: error= 8.49D-04 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1682.72144235920 IErMin=14 ErrMin= 8.49D-04 ErrMax= 8.49D-04 EMaxC= 1.00D-01 BMatC= 9.73D-05 BMatP= 2.53D-03 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.49D-03 Coeff-Com: -0.144D-02 0.440D-03-0.111D-02-0.177D-04 0.102D-03 0.784D-04 Coeff-Com: -0.267D-02-0.959D-04-0.127D-01 0.140D-01 0.281D-01 0.216D+00 Coeff-Com: 0.236D+00 0.523D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.100D+01 Coeff: -0.143D-02 0.436D-03-0.110D-02-0.175D-04 0.101D-03 0.778D-04 Coeff: -0.265D-02-0.951D-04-0.126D-01 0.139D-01 0.279D-01 0.214D+00 Coeff: 0.234D+00 0.528D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.27D-04 MaxDP=2.70D-03 DE=-3.29D-03 OVMax= 3.41D-03 Cycle 15 Pass 1 IDiag 1: E= -1682.72151298961 Delta-E= -0.000070630409 Rises=F Damp=F DIIS: error= 2.33D-04 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1682.72151298961 IErMin=15 ErrMin= 2.33D-04 ErrMax= 2.33D-04 EMaxC= 1.00D-01 BMatC= 2.58D-05 BMatP= 9.73D-05 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.33D-03 Coeff-Com: -0.142D-02 0.934D-03-0.251D-03-0.761D-05 0.599D-04-0.214D-04 Coeff-Com: 0.773D-03-0.160D-04-0.257D-02 0.265D-02 0.255D-02 0.706D-01 Coeff-Com: 0.761D-01 0.391D+00 0.459D+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 0.143D+00 0.857D+00 Coeff: -0.141D-02 0.931D-03-0.251D-03-0.759D-05 0.597D-04-0.213D-04 Coeff: 0.771D-03-0.160D-04-0.256D-02 0.264D-02 0.255D-02 0.705D-01 Coeff: 0.759D-01 0.391D+00 0.460D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=4.59D-05 MaxDP=6.94D-04 DE=-7.06D-05 OVMax= 1.46D-03 Cycle 16 Pass 1 IDiag 1: E= -1682.72152423405 Delta-E= -0.000011244434 Rises=F Damp=F DIIS: error= 1.75D-04 at cycle 16 NSaved= 16. NSaved=16 IEnMin=16 EnMin= -1682.72152423405 IErMin=16 ErrMin= 1.75D-04 ErrMax= 1.75D-04 EMaxC= 1.00D-01 BMatC= 9.84D-06 BMatP= 2.58D-05 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.75D-03 Coeff-Com: -0.130D-02 0.120D-02-0.101D-03-0.130D-05 0.809D-05 0.368D-05 Coeff-Com: 0.102D-02 0.593D-05 0.674D-03-0.368D-03-0.197D-02 0.884D-02 Coeff-Com: 0.110D-01 0.178D+00 0.313D+00 0.489D+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 0.224D+00 0.776D+00 Coeff: -0.130D-02 0.120D-02-0.101D-03-0.129D-05 0.808D-05 0.367D-05 Coeff: 0.102D-02 0.592D-05 0.673D-03-0.367D-03-0.196D-02 0.882D-02 Coeff: 0.109D-01 0.178D+00 0.313D+00 0.490D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=2.45D-05 MaxDP=4.79D-04 DE=-1.12D-05 OVMax= 9.07D-04 Cycle 17 Pass 1 IDiag 1: E= -1682.72152539487 Delta-E= -0.000001160826 Rises=F Damp=F DIIS: error= 1.97D-04 at cycle 17 NSaved= 17. NSaved=17 IEnMin=17 EnMin= -1682.72152539487 IErMin=16 ErrMin= 1.75D-04 ErrMax= 1.97D-04 EMaxC= 1.00D-01 BMatC= 1.13D-05 BMatP= 9.84D-06 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.75D-03 EnCoef did 7 forward-backward iterations Coeff-Com: -0.145D-02 0.127D-02-0.768D-04-0.168D-05 0.876D-05 0.478D-05 Coeff-Com: 0.962D-03-0.133D-05 0.769D-03-0.184D-03-0.698D-03 0.223D-02 Coeff-Com: 0.379D-02 0.848D-01 0.161D+00 0.296D+00 0.451D+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 0.901D-01 0.372D+00 0.538D+00 Coeff: -0.145D-02 0.127D-02-0.767D-04-0.167D-05 0.874D-05 0.477D-05 Coeff: 0.960D-03-0.133D-05 0.768D-03-0.183D-03-0.697D-03 0.223D-02 Coeff: 0.378D-02 0.846D-01 0.161D+00 0.296D+00 0.452D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=3.31D-06 MaxDP=6.36D-05 DE=-1.16D-06 OVMax= 9.56D-05 Cycle 18 Pass 1 IDiag 1: E= -1682.72152448843 Delta-E= 0.000000906442 Rises=F Damp=F DIIS: error= 2.10D-04 at cycle 18 NSaved= 18. NSaved=18 IEnMin=17 EnMin= -1682.72152539487 IErMin=16 ErrMin= 1.75D-04 ErrMax= 2.10D-04 EMaxC= 1.00D-01 BMatC= 1.22D-05 BMatP= 9.84D-06 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.75D-03 Rare condition: small coef for last iteration: -0.666D-15 Coeff-Com: -0.136D-02 0.121D-02-0.755D-04-0.155D-05 0.945D-05 0.420D-05 Coeff-Com: 0.941D-03 0.558D-06 0.774D-03-0.356D-03-0.112D-02 0.356D-02 Coeff-Com: 0.575D-02 0.113D+00 0.206D+00 0.375D+00 0.737D+00-0.440D+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 0.121D+00 0.406D+00 0.000D+00 0.473D+00 Coeff: -0.136D-02 0.121D-02-0.755D-04-0.155D-05 0.945D-05 0.420D-05 Coeff: 0.941D-03 0.558D-06 0.774D-03-0.356D-03-0.112D-02 0.356D-02 Coeff: 0.575D-02 0.113D+00 0.206D+00 0.375D+00 0.737D+00-0.440D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=2.35D-06 MaxDP=5.67D-05 DE= 9.06D-07 OVMax= 4.08D-05 Cycle 19 Pass 1 IDiag 1: E= -1682.72152529937 Delta-E= -0.000000810943 Rises=F Damp=F DIIS: error= 1.98D-04 at cycle 19 NSaved= 19. NSaved=19 IEnMin=17 EnMin= -1682.72152539487 IErMin=16 ErrMin= 1.75D-04 ErrMax= 1.98D-04 EMaxC= 1.00D-01 BMatC= 1.12D-05 BMatP= 9.84D-06 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.75D-03 EnCoef did 100 forward-backward iterations Coeff-Com: -0.627D-03 0.515D-03 0.562D-04-0.142D-05 0.138D-04-0.898D-06 Coeff-Com: 0.415D-03-0.321D-05 0.942D-03-0.158D-02-0.121D-02-0.270D-03 Coeff-Com: 0.639D-02 0.126D+00 0.189D+00 0.553D+00 0.409D+01-0.836D+01 Coeff-Com: 0.440D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.902D-01 0.371D+00 0.532D+00 0.000D+00 Coeff-En: 0.655D-02 Coeff: -0.626D-03 0.515D-03 0.561D-04-0.142D-05 0.138D-04-0.897D-06 Coeff: 0.414D-03-0.320D-05 0.940D-03-0.158D-02-0.121D-02-0.270D-03 Coeff: 0.638D-02 0.126D+00 0.188D+00 0.552D+00 0.408D+01-0.835D+01 Coeff: 0.439D+01 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=2.21D-05 MaxDP=6.16D-04 DE=-8.11D-07 OVMax= 3.80D-04 Cycle 20 Pass 1 IDiag 1: Restarting incremental Fock formation. E= -1682.72153270605 Delta-E= -0.000007406679 Rises=F Damp=F DIIS: error= 8.26D-05 at cycle 20 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.72153270605 IErMin=20 ErrMin= 8.26D-05 ErrMax= 8.26D-05 EMaxC= 1.00D-01 BMatC= 2.24D-06 BMatP= 9.84D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.106D-03 0.722D-04 0.612D-04 0.259D-06 0.618D-05 0.183D-05 Coeff-Com: -0.195D-03-0.851D-05 0.292D-03-0.702D-03 0.868D-03-0.263D-02 Coeff-Com: -0.239D-02-0.110D-01-0.276D-01 0.597D-01 0.162D+01-0.424D+01 Coeff-Com: 0.234D+01 0.126D+01 Coeff: -0.106D-03 0.722D-04 0.612D-04 0.259D-06 0.618D-05 0.183D-05 Coeff: -0.195D-03-0.851D-05 0.292D-03-0.702D-03 0.868D-03-0.263D-02 Coeff: -0.239D-02-0.110D-01-0.276D-01 0.597D-01 0.162D+01-0.424D+01 Coeff: 0.234D+01 0.126D+01 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.46D-05 MaxDP=3.95D-04 DE=-7.41D-06 OVMax= 3.34D-04 Cycle 21 Pass 1 IDiag 1: E= -1682.72153460301 Delta-E= -0.000001896962 Rises=F Damp=F DIIS: error= 1.60D-05 at cycle 21 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.72153460301 IErMin=20 ErrMin= 1.60D-05 ErrMax= 1.60D-05 EMaxC= 1.00D-01 BMatC= 7.43D-08 BMatP= 2.24D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.398D-04 0.210D-04 0.398D-04 0.292D-05 0.188D-05-0.182D-03 Coeff-Com: -0.603D-05 0.128D-03-0.310D-03 0.798D-03-0.210D-02-0.301D-02 Coeff-Com: -0.253D-01-0.470D-01-0.306D-01 0.663D+00-0.202D+01 0.114D+01 Coeff-Com: 0.934D+00 0.392D+00 Coeff: -0.398D-04 0.210D-04 0.398D-04 0.292D-05 0.188D-05-0.182D-03 Coeff: -0.603D-05 0.128D-03-0.310D-03 0.798D-03-0.210D-02-0.301D-02 Coeff: -0.253D-01-0.470D-01-0.306D-01 0.663D+00-0.202D+01 0.114D+01 Coeff: 0.934D+00 0.392D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=2.51D-06 MaxDP=5.68D-05 DE=-1.90D-06 OVMax= 5.97D-05 Cycle 22 Pass 1 IDiag 1: E= -1682.72153465973 Delta-E= -0.000000056721 Rises=F Damp=F DIIS: error= 4.67D-06 at cycle 22 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.72153465973 IErMin=20 ErrMin= 4.67D-06 ErrMax= 4.67D-06 EMaxC= 1.00D-01 BMatC= 5.24D-09 BMatP= 7.43D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.415D-05-0.204D-05-0.276D-05 0.133D-06-0.145D-04 0.253D-06 Coeff-Com: -0.115D-04 0.923D-04-0.390D-04-0.142D-03-0.868D-03-0.497D-02 Coeff-Com: -0.942D-02-0.284D-01-0.232D+00 0.464D+00-0.260D+00 0.216D-01 Coeff-Com: 0.208D+00 0.842D+00 Coeff: -0.415D-05-0.204D-05-0.276D-05 0.133D-06-0.145D-04 0.253D-06 Coeff: -0.115D-04 0.923D-04-0.390D-04-0.142D-03-0.868D-03-0.497D-02 Coeff: -0.942D-02-0.284D-01-0.232D+00 0.464D+00-0.260D+00 0.216D-01 Coeff: 0.208D+00 0.842D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=8.89D-07 MaxDP=2.13D-05 DE=-5.67D-08 OVMax= 2.85D-05 Cycle 23 Pass 1 IDiag 1: E= -1682.72153466462 Delta-E= -0.000000004884 Rises=F Damp=F DIIS: error= 6.21D-07 at cycle 23 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.72153466462 IErMin=20 ErrMin= 6.21D-07 ErrMax= 6.21D-07 EMaxC= 1.00D-01 BMatC= 1.71D-10 BMatP= 5.24D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.226D-06-0.467D-06-0.251D-05-0.369D-07 0.318D-05-0.572D-05 Coeff-Com: 0.356D-04-0.377D-04 0.231D-04-0.185D-03-0.215D-03-0.777D-03 Coeff-Com: -0.670D-02-0.706D-01 0.161D+00-0.911D-01-0.197D-01 0.489D-01 Coeff-Com: 0.259D+00 0.720D+00 Coeff: 0.226D-06-0.467D-06-0.251D-05-0.369D-07 0.318D-05-0.572D-05 Coeff: 0.356D-04-0.377D-04 0.231D-04-0.185D-03-0.215D-03-0.777D-03 Coeff: -0.670D-02-0.706D-01 0.161D+00-0.911D-01-0.197D-01 0.489D-01 Coeff: 0.259D+00 0.720D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=2.33D-07 MaxDP=3.92D-06 DE=-4.88D-09 OVMax= 6.65D-06 Cycle 24 Pass 1 IDiag 1: E= -1682.72153466479 Delta-E= -0.000000000175 Rises=F Damp=F DIIS: error= 2.26D-07 at cycle 24 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.72153466479 IErMin=20 ErrMin= 2.26D-07 ErrMax= 2.26D-07 EMaxC= 1.00D-01 BMatC= 1.91D-11 BMatP= 1.71D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.667D-06-0.152D-06-0.487D-06 0.248D-05-0.169D-05 0.404D-05 Coeff-Com: -0.247D-05-0.113D-04-0.408D-05-0.258D-03-0.145D-03-0.936D-03 Coeff-Com: -0.562D-02 0.145D-01-0.548D-02-0.544D-02 0.141D-02 0.616D-02 Coeff-Com: 0.230D+00 0.766D+00 Coeff: 0.667D-06-0.152D-06-0.487D-06 0.248D-05-0.169D-05 0.404D-05 Coeff: -0.247D-05-0.113D-04-0.408D-05-0.258D-03-0.145D-03-0.936D-03 Coeff: -0.562D-02 0.145D-01-0.548D-02-0.544D-02 0.141D-02 0.616D-02 Coeff: 0.230D+00 0.766D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=7.15D-08 MaxDP=1.29D-06 DE=-1.75D-10 OVMax= 2.82D-06 Cycle 25 Pass 1 IDiag 1: E= -1682.72153466483 Delta-E= -0.000000000035 Rises=F Damp=F DIIS: error= 6.89D-08 at cycle 25 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.72153466483 IErMin=20 ErrMin= 6.89D-08 ErrMax= 6.89D-08 EMaxC= 1.00D-01 BMatC= 1.98D-12 BMatP= 1.91D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.253D-06 0.390D-07 0.643D-06-0.239D-06-0.159D-05 0.386D-05 Coeff-Com: -0.962D-05 0.128D-04-0.133D-03-0.112D-03 0.284D-03 0.475D-02 Coeff-Com: -0.889D-02 0.530D-02 0.785D-03-0.428D-02-0.190D-01 0.757D-02 Coeff-Com: 0.291D+00 0.723D+00 Coeff: 0.253D-06 0.390D-07 0.643D-06-0.239D-06-0.159D-05 0.386D-05 Coeff: -0.962D-05 0.128D-04-0.133D-03-0.112D-03 0.284D-03 0.475D-02 Coeff: -0.889D-02 0.530D-02 0.785D-03-0.428D-02-0.190D-01 0.757D-02 Coeff: 0.291D+00 0.723D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=2.40D-08 MaxDP=4.12D-07 DE=-3.50D-11 OVMax= 9.98D-07 Cycle 26 Pass 1 IDiag 1: E= -1682.72153466483 Delta-E= -0.000000000002 Rises=F Damp=F DIIS: error= 2.32D-08 at cycle 26 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.72153466483 IErMin=20 ErrMin= 2.32D-08 ErrMax= 2.32D-08 EMaxC= 1.00D-01 BMatC= 2.21D-13 BMatP= 1.98D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.479D-07 0.200D-06 0.558D-07-0.114D-05 0.220D-05-0.415D-05 Coeff-Com: 0.679D-05-0.456D-04-0.523D-04 0.249D-03 0.297D-02-0.598D-02 Coeff-Com: 0.340D-02 0.820D-03-0.213D-02-0.104D-01-0.182D-01 0.885D-01 Coeff-Com: 0.408D+00 0.532D+00 Coeff: 0.479D-07 0.200D-06 0.558D-07-0.114D-05 0.220D-05-0.415D-05 Coeff: 0.679D-05-0.456D-04-0.523D-04 0.249D-03 0.297D-02-0.598D-02 Coeff: 0.340D-02 0.820D-03-0.213D-02-0.104D-01-0.182D-01 0.885D-01 Coeff: 0.408D+00 0.532D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=7.44D-09 MaxDP=1.19D-07 DE=-2.27D-12 OVMax= 2.80D-07 SCF Done: E(RB+HF-LYP) = -1682.72153466 A.U. after 26 cycles Convg = 0.7436D-08 -V/T = 2.4860 S**2 = 0.0000 KE= 1.132410830617D+03 PE=-8.163362187207D+03 EE= 3.322028234350D+03 Leave Link 502 at Fri Apr 11 13:38:18 2008, MaxMem= 1258291200 cpu: 201.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.25759 -10.34264 -4.33863 -4.29930 -4.29905 Alpha occ. eigenvalues -- -4.29895 -4.29158 -4.27393 -4.27376 -4.27375 Alpha occ. eigenvalues -- -2.84997 -2.84231 -2.84226 -2.80919 -2.80784 Alpha occ. eigenvalues -- -2.80774 -2.80668 -2.80627 -2.80617 -2.80462 Alpha occ. eigenvalues -- -2.80451 -2.80398 -2.80123 -2.79737 -2.79737 Alpha occ. eigenvalues -- -2.78367 -2.78351 -2.78349 -2.78163 -2.78146 Alpha occ. eigenvalues -- -2.78144 -2.77881 -2.77865 -2.77863 -1.17386 Alpha occ. eigenvalues -- -0.57789 -0.47216 -0.47212 -0.46624 -0.35044 Alpha occ. eigenvalues -- -0.32759 -0.32756 -0.32535 -0.32131 -0.32126 Alpha occ. eigenvalues -- -0.31797 -0.30627 -0.30607 -0.30086 -0.29870 Alpha occ. eigenvalues -- -0.29868 -0.28733 -0.28726 -0.28428 -0.27714 Alpha occ. eigenvalues -- -0.27669 -0.27656 -0.27108 -0.27097 -0.26925 Alpha occ. eigenvalues -- -0.26784 -0.26779 -0.26668 -0.26666 -0.26101 Alpha occ. eigenvalues -- -0.25591 -0.25590 -0.25345 -0.25241 -0.25175 Alpha occ. eigenvalues -- -0.25101 -0.25094 -0.25053 -0.25042 -0.24888 Alpha occ. eigenvalues -- -0.24876 -0.24866 -0.24563 -0.24195 -0.24183 Alpha occ. eigenvalues -- -0.20052 -0.19998 -0.19815 Alpha virt. eigenvalues -- -0.09017 -0.08917 -0.08892 -0.06385 -0.06338 Alpha virt. eigenvalues -- -0.04242 -0.02217 -0.01978 -0.01941 -0.00872 Alpha virt. eigenvalues -- -0.00857 0.01949 0.01964 0.02592 0.02707 Alpha virt. eigenvalues -- 0.03348 0.03850 0.03855 0.04170 0.04187 Alpha virt. eigenvalues -- 0.04860 0.05465 0.05741 0.05766 0.06813 Alpha virt. eigenvalues -- 0.06844 0.07373 0.07380 0.07714 0.08134 Alpha virt. eigenvalues -- 0.08266 0.09228 0.09234 0.11232 0.11381 Alpha virt. eigenvalues -- 0.11951 0.11958 0.12456 0.12493 0.14508 Alpha virt. eigenvalues -- 0.14600 0.17272 0.17291 0.18796 0.21806 Alpha virt. eigenvalues -- 0.23868 0.25642 0.25735 0.25835 0.29422 Alpha virt. eigenvalues -- 0.29461 0.30284 0.30327 0.30450 0.32190 Alpha virt. eigenvalues -- 0.40185 0.40213 0.55001 0.61387 0.63276 Alpha virt. eigenvalues -- 0.63371 0.66867 0.69228 0.69362 0.70538 Alpha virt. eigenvalues -- 0.71037 0.71154 0.76904 0.76961 0.77082 Alpha virt. eigenvalues -- 0.81594 0.81609 0.81756 0.82590 0.83651 Alpha virt. eigenvalues -- 0.83936 0.87184 0.87197 0.88261 0.91797 Alpha virt. eigenvalues -- 0.95976 0.96007 0.97255 0.97361 1.01136 Alpha virt. eigenvalues -- 1.04197 1.06311 1.06625 1.08916 1.09009 Alpha virt. eigenvalues -- 1.12217 1.12337 1.13675 1.15275 1.25134 Alpha virt. eigenvalues -- 1.25441 1.29930 1.30397 1.30564 1.33886 Alpha virt. eigenvalues -- 1.33925 1.34902 1.50905 1.66033 2.03182 Alpha virt. eigenvalues -- 2.21981 2.22373 2.75159 2.76346 3.56793 Alpha virt. eigenvalues -- 10.43626 Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.25759 -10.34264 -4.33863 -4.29930 -4.29905 1 1 Cu 1S 0.00048 0.00141 0.99871 -0.00336 -0.00101 2 2S 0.00064 0.00227 0.00325 -0.00209 -0.00062 3 3S 0.00096 0.01078 0.01654 -0.00119 -0.00025 4 4PX 0.00001 0.00001 0.00008 0.00002 0.00000 5 4PY -0.00004 -0.00005 -0.00033 -0.00010 -0.00002 6 4PZ 0.00001 0.00001 0.00008 0.00001 0.00005 7 5PX -0.00007 0.00221 -0.00233 -0.00035 -0.00047 8 5PY 0.00028 -0.00917 0.00944 0.00043 0.00053 9 5PZ -0.00006 0.00203 -0.00219 -0.00079 0.00186 10 6PX -0.00077 -0.00094 0.00066 0.00020 -0.00030 11 6PY 0.00323 0.00348 -0.00302 -0.00222 -0.00025 12 6PZ -0.00072 -0.00095 0.00058 -0.00035 0.00229 13 7D 0 -0.00001 0.00001 -0.00067 0.00000 0.00000 14 7D+1 0.00000 0.00000 0.00014 0.00000 0.00000 15 7D-1 -0.00001 0.00001 -0.00056 0.00000 0.00001 16 7D+2 -0.00002 0.00002 -0.00116 0.00000 0.00000 17 7D-2 -0.00001 0.00001 -0.00060 0.00000 0.00000 18 8D 0 0.00009 -0.00031 0.00021 0.00013 0.00002 19 8D+1 -0.00002 0.00006 -0.00004 -0.00001 -0.00001 20 8D-1 0.00007 -0.00026 0.00018 0.00005 0.00019 21 8D+2 0.00015 -0.00054 0.00036 0.00024 0.00002 22 8D-2 0.00008 -0.00028 0.00019 0.00010 -0.00001 23 2 Cu 1S 0.00006 -0.00040 0.00063 0.00319 0.00476 24 2S 0.00011 -0.00067 -0.00059 0.00068 0.00013 25 3S 0.00000 -0.00454 -0.00419 0.00011 0.00271 26 4PX 0.00000 -0.00001 0.00003 0.00000 0.00006 27 4PY 0.00000 0.00002 -0.00001 -0.00003 -0.00007 28 4PZ 0.00000 0.00000 -0.00002 0.00001 -0.00002 29 5PX -0.00005 0.00115 0.00120 -0.00031 -0.00104 30 5PY -0.00002 0.00008 0.00017 0.00074 0.00075 31 5PZ 0.00004 -0.00090 -0.00096 0.00009 0.00020 32 6PX 0.00001 0.00056 0.00037 0.00031 0.00040 33 6PY -0.00080 -0.00115 0.00064 0.00040 -0.00016 34 6PZ 0.00032 0.00008 -0.00052 -0.00001 -0.00101 35 7D 0 0.00000 0.00001 -0.00001 0.00005 0.00007 36 7D+1 0.00000 0.00000 0.00008 0.00001 0.00002 37 7D-1 0.00000 0.00000 0.00001 -0.00001 -0.00001 38 7D+2 0.00000 0.00000 -0.00005 0.00004 0.00004 39 7D-2 0.00000 0.00001 -0.00002 0.00008 0.00011 40 8D 0 0.00000 -0.00004 0.00005 -0.00025 -0.00040 41 8D+1 0.00000 0.00001 -0.00024 -0.00006 -0.00013 42 8D-1 -0.00003 0.00006 -0.00006 0.00007 0.00001 43 8D+2 -0.00003 0.00001 0.00014 -0.00021 -0.00021 44 8D-2 0.00002 -0.00010 0.00009 -0.00043 -0.00057 45 3 Cu 1S 0.00000 0.00046 0.00025 0.46375 0.74276 46 2S -0.00001 0.00075 -0.00132 0.00298 0.00671 47 3S -0.00060 0.00101 -0.00080 -0.00009 0.00537 48 4PX 0.00000 -0.00001 0.00002 0.00030 0.00032 49 4PY 0.00000 -0.00003 0.00010 0.00142 0.00231 50 4PZ 0.00000 0.00002 -0.00006 -0.00082 -0.00111 51 5PX -0.00004 0.00017 0.00057 -0.00096 -0.00200 52 5PY 0.00025 -0.00166 0.00171 0.00063 0.00044 53 5PZ -0.00008 0.00055 -0.00110 -0.00001 0.00233 54 6PX 0.00050 0.00118 0.00050 -0.00045 -0.00197 55 6PY 0.00002 -0.00041 -0.00014 -0.00008 0.00139 56 6PZ -0.00038 -0.00071 -0.00034 0.00019 0.00130 57 7D 0 0.00000 0.00001 0.00001 -0.00015 -0.00015 58 7D+1 0.00000 0.00001 0.00001 -0.00016 -0.00036 59 7D-1 0.00000 0.00002 0.00002 -0.00001 0.00000 60 7D+2 0.00000 0.00002 0.00002 -0.00002 0.00000 61 7D-2 0.00000 -0.00001 0.00001 -0.00019 -0.00030 62 8D 0 0.00001 -0.00003 -0.00005 0.00011 0.00001 63 8D+1 0.00000 -0.00007 -0.00001 -0.00024 -0.00018 64 8D-1 0.00002 -0.00017 0.00013 -0.00011 -0.00018 65 8D+2 0.00002 -0.00012 0.00005 0.00011 0.00011 66 8D-2 0.00001 0.00006 -0.00017 0.00018 0.00023 67 4 Cu 1S 0.00000 0.00046 0.00024 0.37659 0.33134 68 2S -0.00001 0.00074 -0.00132 0.00215 0.00276 69 3S -0.00060 0.00099 -0.00082 -0.00091 0.00173 70 4PX 0.00000 0.00003 -0.00007 -0.00090 -0.00072 71 4PY 0.00000 -0.00002 0.00008 0.00090 0.00085 72 4PZ 0.00000 0.00001 -0.00004 -0.00050 -0.00034 73 5PX -0.00009 0.00066 -0.00148 0.00019 0.00044 74 5PY 0.00024 -0.00155 0.00129 0.00081 0.00068 75 5PZ -0.00007 0.00046 -0.00080 -0.00032 0.00135 76 6PX -0.00055 -0.00103 -0.00048 0.00026 0.00046 77 6PY -0.00021 -0.00083 -0.00029 -0.00013 0.00068 78 6PZ -0.00025 -0.00039 -0.00011 0.00003 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-0.00652 0.00386 -0.00572 0.02421 -0.02235 57 7D 0 -0.00030 -0.00065 -0.00040 -0.00088 -0.04305 58 7D+1 -0.00136 -0.00008 0.00019 -0.00980 -0.19626 59 7D-1 -0.00255 -0.00065 0.00137 -0.01315 0.01339 60 7D+2 -0.00142 -0.00048 0.00096 -0.00495 0.09231 61 7D-2 0.00127 0.00094 -0.00063 0.00741 -0.08402 62 8D 0 0.00056 -0.00016 -0.00002 -0.00008 -0.01732 63 8D+1 0.00006 -0.00012 0.00005 -0.00433 -0.07292 64 8D-1 0.00002 -0.00012 0.00054 -0.00470 0.00413 65 8D+2 0.00053 -0.00029 0.00029 -0.00102 0.03239 66 8D-2 0.00083 0.00029 -0.00013 0.00294 -0.03255 67 4 Cu 1S 0.00160 -0.00003 -0.00005 -0.00144 -0.00943 68 2S 0.00590 0.00024 0.00005 0.02452 0.22740 69 3S 0.00399 0.01404 0.02784 0.06517 -0.05824 70 4PX -0.00108 -0.00031 -0.00037 -0.00609 -0.03736 71 4PY 0.00079 0.00001 -0.00006 0.00286 -0.01168 72 4PZ -0.00057 0.00001 -0.00023 -0.00298 -0.01495 73 5PX 0.00527 0.00269 0.00597 0.02072 0.06352 74 5PY -0.00448 0.00052 0.00031 -0.01074 0.02667 75 5PZ 0.00286 0.00233 0.00199 0.01031 0.02469 76 6PX -0.00975 0.00424 0.00660 0.03475 -0.03073 77 6PY -0.00882 -0.00850 -0.02150 0.01568 0.01822 78 6PZ -0.00455 0.00282 0.00582 0.01507 -0.01509 79 7D 0 -0.00122 -0.00067 0.00009 -0.00683 -0.12529 80 7D+1 0.00190 -0.00014 0.00080 0.01157 0.11554 81 7D-1 -0.00124 -0.00024 -0.00075 -0.00554 0.04231 82 7D+2 0.00069 0.00043 0.00010 0.00636 0.04047 83 7D-2 -0.00221 -0.00099 -0.00135 -0.00983 0.15309 84 8D 0 0.00058 -0.00021 -0.00006 -0.00257 -0.04795 85 8D+1 -0.00003 0.00005 0.00024 0.00464 0.04324 86 8D-1 0.00015 0.00007 -0.00035 -0.00172 0.01489 87 8D+2 0.00095 0.00006 -0.00002 0.00316 0.01289 88 8D-2 -0.00016 -0.00037 -0.00041 -0.00304 0.05615 89 5 Cu 1S 0.00024 -0.00027 -0.00001 -0.00109 -0.00137 90 2S 0.01043 0.01270 0.00033 0.02711 0.06767 91 3S 0.05205 -0.00139 0.00063 0.02261 0.10730 92 4PX -0.00012 -0.00037 -0.00067 0.00015 0.00383 93 4PY 0.00250 0.00316 -0.00004 0.00382 -0.01043 94 4PZ 0.00278 0.00190 0.00013 0.00661 0.01167 95 5PX -0.00064 0.00048 0.00029 -0.00068 -0.00772 96 5PY -0.00686 -0.00772 -0.00010 -0.00507 0.02194 97 5PZ -0.01415 -0.00806 -0.00042 -0.01228 -0.02345 98 6PX 0.00349 0.00036 -0.01096 -0.00964 -0.00442 99 6PY -0.02626 -0.00251 -0.00253 0.04711 0.00371 100 6PZ -0.01483 -0.00504 0.00148 0.00363 -0.02425 101 7D 0 0.00142 -0.00184 0.00040 0.00621 0.02632 102 7D+1 -0.00032 -0.00128 -0.00209 0.00008 0.02314 103 7D-1 0.00529 0.00859 0.00024 0.01268 -0.05566 104 7D+2 -0.00293 -0.00618 0.00071 -0.00793 -0.02677 105 7D-2 -0.00048 -0.00126 -0.00280 -0.00159 -0.02043 106 8D 0 0.00068 0.00009 0.00028 0.00196 0.00833 107 8D+1 0.00023 -0.00056 -0.00116 0.00012 0.00701 108 8D-1 0.00042 0.00606 0.00021 0.00451 -0.01568 109 8D+2 -0.00092 -0.00442 0.00041 -0.00384 -0.00923 110 8D-2 -0.00035 -0.00093 -0.00170 -0.00102 -0.00646 111 6 Cu 1S -0.00040 0.00000 0.00001 -0.00172 -0.00921 112 2S 0.00121 0.00004 -0.00002 0.00488 0.17621 113 3S 0.01216 -0.00092 -0.00003 -0.05924 0.01722 114 4PX -0.00018 0.00000 -0.00003 -0.00047 -0.00925 115 4PY 0.00074 0.00001 -0.00002 0.00193 0.03792 116 4PZ -0.00016 -0.00003 0.00000 -0.00043 -0.00853 117 5PX 0.00161 0.00009 0.00169 -0.00179 0.01157 118 5PY -0.00675 0.00053 0.00038 0.00739 -0.04775 119 5PZ 0.00144 0.00177 -0.00019 -0.00163 0.01065 120 6PX -0.00091 -0.00011 -0.01119 -0.00205 0.00117 121 6PY 0.00405 -0.00247 -0.00260 0.00741 -0.00627 122 6PZ -0.00039 -0.01069 0.00095 -0.00212 0.00131 123 7D 0 -0.00011 -0.00005 0.00001 -0.00175 -0.09556 124 7D+1 0.00002 -0.00002 -0.00001 0.00034 0.01897 125 7D-1 -0.00009 0.00006 0.00000 -0.00141 -0.07772 126 7D+2 -0.00019 -0.00003 -0.00002 -0.00296 -0.16224 127 7D-2 -0.00010 -0.00001 0.00008 -0.00153 -0.08424 128 8D 0 -0.00028 0.00006 -0.00002 -0.00003 -0.03387 129 8D+1 0.00005 0.00005 0.00007 0.00000 0.00672 130 8D-1 -0.00022 -0.00021 0.00004 -0.00002 -0.02752 131 8D+2 -0.00047 0.00007 0.00010 -0.00004 -0.05750 132 8D-2 -0.00024 0.00000 -0.00018 -0.00002 -0.02984 133 7 Cu 1S 0.00029 0.00012 0.00024 -0.00110 -0.00136 134 2S 0.01036 -0.00555 -0.01097 0.02692 0.06744 135 3S 0.05333 0.00225 0.00063 0.02269 0.10614 136 4PX -0.00325 0.00149 0.00235 -0.00691 -0.00496 137 4PY 0.00072 -0.00089 -0.00151 -0.00011 -0.01521 138 4PZ -0.00156 0.00013 0.00159 -0.00311 -0.00063 139 5PX 0.01447 -0.00433 -0.00847 0.01206 0.00907 140 5PY 0.00159 0.00138 0.00192 0.00189 0.03127 141 5PZ 0.00634 -0.00189 -0.00421 0.00519 0.00115 142 6PX 0.02361 0.00121 -0.00647 -0.02303 0.01816 143 6PY -0.01617 -0.00061 0.00006 0.03984 0.01589 144 6PZ 0.01283 -0.01042 0.00290 -0.01523 0.00638 145 7D 0 -0.00157 0.00287 0.00061 -0.00555 -0.04043 146 7D+1 0.00395 -0.00065 -0.00565 0.01121 0.00693 147 7D-1 -0.00124 0.00065 0.00377 -0.00254 0.00443 148 7D+2 0.00346 -0.00256 -0.00282 0.00883 -0.04741 149 7D-2 -0.00242 0.00424 0.00613 -0.00409 0.03737 150 8D 0 -0.00084 0.00205 0.00109 -0.00261 -0.01293 151 8D+1 0.00093 -0.00102 -0.00443 0.00441 0.00323 152 8D-1 -0.00018 0.00035 0.00230 -0.00134 0.00096 153 8D+2 0.00018 -0.00192 -0.00243 0.00262 -0.01375 154 8D-2 0.00004 0.00246 0.00347 -0.00196 0.01059 155 8 Cu 1S 0.00158 0.00007 0.00001 -0.00144 -0.00944 156 2S 0.00589 0.00000 -0.00015 0.02446 0.22822 157 3S 0.00523 -0.03082 -0.00222 0.06360 -0.05582 158 4PX -0.00017 -0.00004 0.00014 -0.00054 0.00396 159 4PY 0.00128 -0.00017 -0.00002 0.00584 0.01079 160 4PZ 0.00066 -0.00045 -0.00007 0.00440 0.04038 161 5PX 0.00105 0.00025 0.00120 0.00209 -0.00847 162 5PY -0.00693 0.00305 0.00065 -0.02060 -0.01278 163 5PZ -0.00319 0.00644 0.00014 -0.01447 -0.07269 164 6PX 0.00154 -0.00549 -0.00036 -0.00381 -0.00351 165 6PY -0.00257 0.02336 0.00180 -0.00559 0.03307 166 6PZ 0.01256 -0.00294 -0.00038 -0.04000 0.01953 167 7D 0 -0.00038 0.00087 -0.00013 0.00126 0.21942 168 7D+1 -0.00018 0.00030 0.00064 -0.00056 0.07049 169 7D-1 0.00225 -0.00126 -0.00010 0.01354 -0.01421 170 7D+2 -0.00247 0.00106 -0.00005 -0.01223 -0.04882 171 7D-2 -0.00071 0.00022 0.00064 -0.00316 -0.02549 172 8D 0 0.00008 0.00028 0.00000 0.00141 0.08065 173 8D+1 -0.00026 0.00008 0.00002 -0.00010 0.02656 174 8D-1 0.00083 -0.00036 -0.00009 0.00546 -0.00647 175 8D+2 0.00060 0.00043 -0.00007 -0.00418 -0.02021 176 8D-2 0.00039 0.00012 0.00029 -0.00095 -0.01056 177 9 C 1S -0.16392 -0.00053 0.00042 -0.08427 0.02226 178 2S 0.38691 0.00089 -0.00074 0.15598 -0.05056 179 3S 0.30177 0.00196 -0.00131 0.24187 -0.06119 180 4PX 0.00422 0.02032 0.39296 -0.11232 0.01792 181 4PY -0.01775 0.09843 0.08333 0.46908 -0.07364 182 4PZ 0.00427 0.39116 -0.04139 -0.11066 0.01686 183 5PX -0.01816 0.00355 0.06665 -0.00409 0.00312 184 5PY 0.07445 0.01634 0.01453 0.01803 -0.01267 185 5PZ -0.01715 0.06650 -0.00713 -0.00458 0.00282 186 10 O 1S 0.12544 -0.00025 0.00019 -0.03197 -0.00142 187 2S -0.28375 0.00044 -0.00034 0.05309 0.00711 188 3S -0.37429 0.00130 -0.00101 0.17966 -0.00738 189 4PX -0.09941 0.03312 0.60245 0.09840 -0.01056 190 4PY 0.40811 0.14345 0.13415 -0.39167 0.04362 191 4PZ -0.09367 0.60278 -0.06501 0.08532 -0.00973 192 5PX -0.02461 0.01255 0.23060 0.01852 -0.00276 193 5PY 0.10105 0.05540 0.05091 -0.07116 0.01137 194 5PZ -0.02319 0.23052 -0.02478 0.01451 -0.00242 41 42 43 44 45 O O O O O EIGENVALUES -- -0.32759 -0.32756 -0.32535 -0.32131 -0.32126 1 1 Cu 1S 0.00002 0.00001 -0.00132 -0.00004 0.00005 2 2S -0.00015 0.00137 0.17221 0.00292 -0.00414 3 3S 0.00111 -0.00085 -0.10055 0.00034 -0.00096 4 4PX 0.00423 -0.01245 -0.00258 0.00655 0.00258 5 4PY -0.00198 -0.00382 0.01095 0.00267 -0.00149 6 4PZ -0.01258 -0.00351 -0.00275 0.00211 -0.00683 7 5PX -0.00129 0.00272 0.00356 0.00157 -0.00002 8 5PY 0.00145 0.00123 -0.01515 -0.00211 0.00207 9 5PZ 0.00271 0.00079 0.00369 0.00059 -0.00101 10 6PX 0.02496 -0.07349 0.01565 0.06360 0.02326 11 6PY -0.00997 -0.02301 -0.05921 0.02141 -0.01105 12 6PZ -0.07541 -0.02191 0.01279 0.02131 -0.06929 13 7D 0 -0.05531 0.09618 0.27371 -0.43115 0.53973 14 7D+1 0.07147 -0.39439 -0.04381 0.43169 0.48293 15 7D-1 0.66195 0.11337 0.20580 0.09507 -0.06509 16 7D+2 -0.16226 -0.38584 0.42103 0.02262 -0.28945 17 7D-2 -0.23259 0.44814 0.21002 0.48671 0.07660 18 8D 0 -0.02043 0.02935 0.08925 -0.13807 0.17349 19 8D+1 0.02114 -0.12604 -0.01432 0.13713 0.15476 20 8D-1 0.21518 0.03721 0.06712 0.03105 -0.02343 21 8D+2 -0.05147 -0.12518 0.13752 0.00583 -0.09241 22 8D-2 -0.07580 0.14755 0.06858 0.15795 0.02547 23 2 Cu 1S 0.00300 -0.00219 -0.00161 -0.00035 -0.00040 24 2S -0.04837 0.03559 0.09427 -0.03004 -0.04891 25 3S -0.03358 0.02519 0.09176 -0.07520 -0.11023 26 4PX -0.01020 0.00838 0.01632 -0.00879 -0.00638 27 4PY 0.00931 -0.00613 -0.00203 -0.00290 -0.00013 28 4PZ 0.00486 -0.00251 -0.01118 0.00010 0.01027 29 5PX 0.02047 -0.01915 -0.04387 0.02841 0.01492 30 5PY -0.01974 0.01175 -0.00309 0.01203 0.00280 31 5PZ -0.01165 0.00369 0.03308 0.00304 -0.03312 32 6PX -0.00971 0.02626 0.00558 -0.01846 -0.00183 33 6PY 0.03668 -0.01577 0.02738 -0.01472 -0.00571 34 6PZ 0.01305 0.01602 -0.01471 -0.00771 0.02243 35 7D 0 0.02443 -0.03848 -0.00963 0.06075 -0.04565 36 7D+1 0.06074 -0.04838 -0.09976 0.03500 0.11326 37 7D-1 -0.04972 0.04841 0.00464 0.04913 0.01623 38 7D+2 -0.04983 0.03442 0.06073 -0.06639 -0.00179 39 7D-2 0.10085 -0.05549 -0.02120 -0.02802 -0.00897 40 8D 0 0.00883 -0.01497 -0.00280 0.02417 -0.01811 41 8D+1 0.02246 -0.01820 -0.03442 0.01090 0.03995 42 8D-1 -0.01789 0.01849 0.00275 0.01885 0.00613 43 8D+2 -0.01852 0.01227 0.02260 -0.02429 0.00168 44 8D-2 0.03800 -0.02015 -0.00720 -0.01116 -0.00338 45 3 Cu 1S -0.00137 0.00096 -0.00149 0.00074 0.00108 46 2S -0.07541 0.05435 0.01992 0.00173 0.00074 47 3S -0.13239 0.09510 -0.07980 0.04745 0.07122 48 4PX -0.00188 -0.00361 -0.00940 -0.00200 0.00464 49 4PY -0.01337 0.00716 0.00569 -0.00170 0.00114 50 4PZ 0.00136 -0.00760 0.00499 -0.00543 0.00118 51 5PX 0.02925 -0.02039 0.02647 -0.00306 -0.02024 52 5PY 0.03285 -0.02336 -0.01506 -0.00267 -0.00940 53 5PZ -0.03432 0.02555 -0.01411 0.01812 0.00850 54 6PX 0.01038 -0.01254 -0.03686 0.01083 0.03867 55 6PY -0.04855 0.03448 0.00271 -0.05970 -0.07189 56 6PZ 0.00698 -0.01099 0.02710 -0.01115 0.01812 57 7D 0 0.12366 0.02248 -0.07516 0.10463 -0.01429 58 7D+1 -0.01397 0.00015 0.14699 0.02134 -0.02250 59 7D-1 0.06334 -0.07442 0.03026 -0.07704 0.03697 60 7D+2 0.12253 -0.11172 -0.14158 0.04275 0.01581 61 7D-2 0.01821 -0.07382 -0.11248 -0.03525 0.11551 62 8D 0 0.04254 0.00770 -0.02589 0.03741 -0.00510 63 8D+1 -0.00397 0.00004 0.05330 0.00818 -0.00848 64 8D-1 0.02118 -0.02626 0.01095 -0.02855 0.01403 65 8D+2 0.04219 -0.03751 -0.05013 0.01623 0.00521 66 8D-2 0.00609 -0.02583 -0.03880 -0.01306 0.04161 67 4 Cu 1S -0.00018 -0.00168 -0.00145 -0.00132 0.00008 68 2S -0.00969 -0.09221 0.02122 -0.00168 -0.00116 69 3S -0.01660 -0.16332 -0.07641 -0.08639 0.00409 70 4PX 0.00341 0.00683 0.00729 0.00287 -0.00315 71 4PY -0.00205 -0.01341 0.00937 0.00121 0.00035 72 4PZ -0.00592 0.00516 0.00226 0.00176 0.00620 73 5PX -0.00651 -0.05934 -0.02019 -0.02430 0.00706 74 5PY 0.00219 0.01986 -0.02520 -0.00002 0.00021 75 5PZ -0.00211 -0.02818 -0.00618 -0.01195 -0.01198 76 6PX 0.00305 0.01319 0.03774 -0.00609 -0.00863 77 6PY -0.00688 -0.05922 0.01750 0.10052 -0.00014 78 6PZ -0.00435 0.01329 0.01614 -0.01190 0.02334 79 7D 0 0.07940 0.08585 -0.00519 -0.04802 -0.08319 80 7D+1 0.06683 -0.03891 -0.10461 -0.01780 -0.06199 81 7D-1 -0.00871 0.08177 -0.03838 0.00094 0.10348 82 7D+2 -0.01822 0.13924 -0.21532 -0.08480 0.04037 83 7D-2 0.02778 0.10327 -0.04750 0.02038 -0.05756 84 8D 0 0.02750 0.02987 -0.00054 -0.01720 -0.03001 85 8D+1 0.02281 -0.01377 -0.03792 -0.00631 -0.02195 86 8D-1 -0.00422 0.02801 -0.01352 0.00039 0.03868 87 8D+2 -0.00609 0.04746 -0.07576 -0.03041 0.01412 88 8D-2 0.01005 0.03491 -0.01757 0.00702 -0.02128 89 5 Cu 1S -0.00341 -0.00155 -0.00167 -0.00027 0.00054 90 2S 0.05283 0.02449 0.09773 -0.02330 0.04880 91 3S 0.03543 0.01660 0.09763 -0.05864 0.11722 92 4PX 0.00309 0.00279 0.00267 -0.00656 -0.00227 93 4PY -0.00808 -0.00325 0.00153 -0.00310 0.00303 94 4PZ 0.01362 0.00608 0.02045 -0.00434 0.01132 95 5PX -0.00512 -0.00856 -0.00548 0.02429 0.01036 96 5PY 0.01661 0.00585 -0.01312 0.01172 -0.01187 97 5PZ -0.02862 -0.01250 -0.05531 0.01166 -0.03225 98 6PX -0.00040 0.02917 -0.00535 -0.02133 -0.01114 99 6PY -0.03625 -0.01004 0.03079 -0.01199 0.01119 100 6PZ 0.02449 0.00640 0.00961 -0.00373 0.01512 101 7D 0 0.11494 0.04952 0.12016 -0.01797 0.09511 102 7D+1 0.04370 0.03187 0.02998 -0.09535 -0.03127 103 7D-1 -0.09200 -0.04122 0.01548 -0.05080 0.05582 104 7D+2 0.00834 -0.00482 -0.01288 0.00415 -0.04160 105 7D-2 -0.02159 0.01319 -0.00428 -0.00100 -0.00792 106 8D 0 0.04267 0.01832 0.04249 -0.00462 0.03240 107 8D+1 0.01624 0.01202 0.01040 -0.03706 -0.01330 108 8D-1 -0.03421 -0.01551 0.00522 -0.01899 0.02015 109 8D+2 0.00290 -0.00243 -0.00285 0.00156 -0.01569 110 8D-2 -0.00870 0.00591 -0.00083 -0.00076 -0.00330 111 6 Cu 1S -0.00004 0.00002 0.00383 0.00008 -0.00010 112 2S -0.00130 -0.00020 0.04198 0.00144 -0.00151 113 3S -0.00126 0.00074 0.11585 0.00466 -0.00571 114 4PX 0.00208 -0.00611 -0.00096 0.00256 0.00097 115 4PY -0.00112 -0.00193 0.00393 0.00102 -0.00058 116 4PZ -0.00614 -0.00166 -0.00105 0.00080 -0.00274 117 5PX -0.00398 0.01131 0.00999 -0.01600 -0.00625 118 5PY 0.00247 0.00338 -0.04041 -0.00658 0.00402 119 5PZ 0.01110 0.00301 0.00965 -0.00488 0.01679 120 6PX 0.01099 -0.03354 0.00856 0.04408 0.01637 121 6PY -0.00472 -0.01041 -0.03722 0.01339 -0.00502 122 6PZ -0.03379 -0.00877 0.00614 0.01395 -0.04388 123 7D 0 0.05280 0.02933 0.01738 -0.00558 0.01706 124 7D+1 0.03527 -0.00800 -0.00233 -0.01142 0.00765 125 7D-1 -0.05743 -0.01574 0.01132 0.00970 -0.04021 126 7D+2 -0.01021 0.03078 0.02837 -0.02187 0.00141 127 7D-2 0.02463 -0.07742 0.01449 0.03646 0.01498 128 8D 0 0.01833 0.01061 0.00671 -0.00098 0.00503 129 8D+1 0.01259 -0.00410 -0.00094 -0.00542 0.00164 130 8D-1 -0.01780 -0.00510 0.00453 0.00343 -0.01500 131 8D+2 -0.00411 0.00945 0.01113 -0.00829 0.00121 132 8D-2 0.00783 -0.02553 0.00568 0.01257 0.00546 133 7 Cu 1S 0.00036 0.00368 -0.00166 0.00052 0.00005 134 2S -0.00640 -0.05850 0.09455 0.05819 -0.00618 135 3S -0.00475 -0.04051 0.09113 0.13378 -0.00723 136 4PX 0.00034 0.00843 -0.01658 -0.01237 -0.00176 137 4PY 0.00188 0.01551 -0.00915 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0.06722 -0.08081 0.03585 -0.07067 158 4PX -0.00017 -0.00743 -0.00242 -0.00601 -0.00324 159 4PY 0.01508 0.00525 0.00402 -0.00109 -0.00107 160 4PZ 0.00003 0.00105 -0.01129 0.00209 -0.00210 161 5PX 0.00285 0.00209 0.00672 0.01180 0.00584 162 5PY -0.04657 -0.02079 -0.00972 -0.00416 0.01331 163 5PZ -0.04273 -0.01895 0.03116 -0.01080 0.01804 164 6PX -0.01055 -0.01122 -0.00633 -0.01043 -0.03176 165 6PY 0.05394 0.02177 -0.00025 -0.04451 0.07562 166 6PZ -0.01234 -0.00405 -0.04834 0.02123 -0.03185 167 7D 0 -0.09867 -0.02348 -0.16184 0.00883 0.00308 168 7D+1 0.04029 -0.06602 0.00502 -0.04633 0.00225 169 7D-1 -0.03172 -0.02121 -0.18102 0.04250 -0.05945 170 7D+2 -0.16158 -0.05389 -0.04949 0.06808 -0.00925 171 7D-2 -0.04408 -0.09486 -0.04815 -0.12027 -0.08985 172 8D 0 -0.03308 -0.00791 -0.05838 0.00294 0.00088 173 8D+1 0.01378 -0.02203 0.00117 -0.01572 0.00122 174 8D-1 -0.01086 -0.00695 -0.06361 0.01565 -0.02115 175 8D+2 -0.05579 -0.01804 -0.01647 0.02508 -0.00309 176 8D-2 -0.01474 -0.03346 -0.01648 -0.04418 -0.03275 177 9 C 1S 0.00009 -0.00004 -0.01359 -0.00047 0.00055 178 2S -0.00024 0.00002 0.02621 0.00110 -0.00125 179 3S 0.00003 0.00058 0.06994 0.00112 -0.00160 180 4PX 0.00998 -0.02956 -0.01109 -0.01946 -0.00662 181 4PY -0.00485 -0.00896 0.04765 -0.00444 0.00086 182 4PZ -0.03015 -0.00845 -0.01038 -0.00641 0.01978 183 5PX 0.01074 -0.03211 -0.00184 -0.01304 -0.00488 184 5PY -0.00467 -0.00974 0.00933 -0.00436 0.00199 185 5PZ -0.03289 -0.00921 -0.00194 -0.00397 0.01314 186 10 O 1S -0.00002 0.00001 0.00279 0.00009 -0.00010 187 2S 0.00004 -0.00006 -0.01012 -0.00028 0.00033 188 3S 0.00012 -0.00001 -0.00614 -0.00026 0.00032 189 4PX -0.03063 0.09102 0.01038 0.05651 0.02037 190 4PY 0.01427 0.02785 -0.04862 0.01641 -0.00645 191 4PZ 0.09318 0.02599 0.00924 0.01819 -0.05738 192 5PX -0.01872 0.05568 0.00344 0.03030 0.01104 193 5PY 0.00859 0.01706 -0.01762 0.00915 -0.00384 194 5PZ 0.05700 0.01589 0.00304 0.00964 -0.03069 46 47 48 49 50 O O O O O EIGENVALUES -- -0.31797 -0.30627 -0.30607 -0.30086 -0.29870 1 1 Cu 1S -0.00056 0.00000 -0.00001 -0.00181 0.00003 2 2S 0.15297 0.00002 0.00023 0.04646 -0.00108 3 3S 0.19137 -0.00031 -0.00087 -0.09545 0.00016 4 4PX 0.01229 0.00191 -0.00025 -0.00603 0.00155 5 4PY -0.04993 0.00072 0.00104 0.02496 0.00008 6 4PZ 0.01152 -0.00010 0.00191 -0.00569 0.00103 7 5PX -0.06062 0.01756 -0.00029 0.02608 -0.00411 8 5PY 0.24848 0.00290 0.00045 -0.10906 0.00036 9 5PZ -0.05601 0.00064 0.01709 0.02426 -0.00258 10 6PX 0.00585 0.08086 -0.00214 0.01961 -0.08209 11 6PY -0.01216 0.01941 0.01791 -0.08778 -0.02987 12 6PZ 0.01007 -0.00181 0.08323 0.01395 -0.05107 13 7D 0 -0.01050 0.05738 0.08152 0.18157 0.09552 14 7D+1 0.00226 -0.15917 0.03575 -0.03622 -0.11253 15 7D-1 -0.00854 -0.02291 0.14267 0.14618 0.03590 16 7D+2 -0.00802 -0.06506 -0.08839 0.30626 -0.09722 17 7D-2 -0.00263 0.05212 -0.03017 0.15874 -0.00234 18 8D 0 -0.00529 0.01764 0.02429 0.05747 0.02911 19 8D+1 0.00111 -0.04927 0.01052 -0.01147 -0.03472 20 8D-1 -0.00433 -0.00712 0.04558 0.04628 0.01127 21 8D+2 -0.00594 -0.02083 -0.02738 0.09692 -0.03019 22 8D-2 -0.00259 0.01775 -0.00939 0.05024 -0.00024 23 2 Cu 1S -0.00386 0.00017 -0.00011 0.00106 0.00030 24 2S 0.02955 -0.03656 0.02937 0.00367 -0.01128 25 3S 0.00669 -0.08727 0.06884 0.02924 -0.02763 26 4PX 0.00695 -0.00479 0.00187 -0.00117 0.00048 27 4PY 0.00137 0.00818 -0.00742 0.00770 0.00370 28 4PZ -0.00578 -0.00183 -0.00115 -0.00207 0.00311 29 5PX -0.00629 0.02342 -0.00971 -0.00264 -0.00609 30 5PY -0.01551 -0.02867 0.02713 0.00042 -0.00908 31 5PZ 0.01101 0.00338 0.00853 0.00117 -0.01608 32 6PX 0.00509 -0.00123 -0.01508 0.00043 0.00855 33 6PY 0.00440 0.01663 -0.02160 0.02611 -0.00148 34 6PZ -0.00714 -0.02375 -0.00334 -0.00933 0.02572 35 7D 0 0.02338 0.04778 -0.06336 0.07328 0.01289 36 7D+1 -0.06946 -0.04304 0.00441 -0.03333 0.02307 37 7D-1 0.04106 0.03138 0.03945 -0.08595 -0.05501 38 7D+2 0.09685 0.05490 -0.08685 0.02741 0.06071 39 7D-2 -0.00057 0.10706 -0.03712 0.16042 0.03293 40 8D 0 0.00732 0.01555 -0.02317 0.02414 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-0.13806 61 7D-2 0.27379 0.19832 -0.18341 0.14575 0.00169 62 8D 0 0.02259 -0.01272 -0.07838 0.05080 0.13280 63 8D+1 -0.01085 0.04192 0.03439 -0.04327 -0.04123 64 8D-1 -0.08505 -0.08152 -0.02478 0.02121 0.03278 65 8D+2 -0.03710 0.04597 0.07174 0.08275 -0.04583 66 8D-2 0.09172 0.06581 -0.06304 0.04948 0.00178 67 4 Cu 1S -0.00510 0.00324 0.00133 0.00177 -0.00066 68 2S 0.06451 0.09202 0.03564 -0.02765 -0.00163 69 3S -0.03715 0.05444 0.02631 0.08622 -0.14749 70 4PX -0.01356 -0.00116 -0.00576 -0.00278 0.00910 71 4PY 0.01800 -0.00498 -0.00080 -0.00345 0.00610 72 4PZ -0.00791 -0.00485 0.01003 -0.00130 0.00171 73 5PX -0.00602 0.03204 0.02227 0.02320 -0.04929 74 5PY 0.00781 0.05254 0.01742 0.01610 -0.01754 75 5PZ -0.00377 0.01670 -0.01390 0.00907 -0.01726 76 6PX -0.02014 -0.01519 -0.00977 0.02487 0.00586 77 6PY 0.03281 0.01274 -0.00322 0.02358 0.20031 78 6PZ -0.01209 -0.01080 0.00352 0.00687 -0.02732 79 7D 0 0.01568 -0.05731 -0.14054 0.09954 -0.15816 80 7D+1 0.12834 0.03313 -0.19614 0.05944 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-0.01548 101 7D 0 0.10988 0.01334 0.05583 -0.00853 -0.00710 102 7D+1 0.01559 -0.01924 -0.02321 -0.04533 0.00979 103 7D-1 0.01908 0.00683 0.12704 0.19663 0.11510 104 7D+2 0.05394 -0.01895 0.08360 0.00776 0.06002 105 7D-2 0.02535 0.07591 0.04345 0.03384 -0.00018 106 8D 0 0.03754 0.00445 0.01932 -0.00474 -0.00371 107 8D+1 0.00550 -0.00612 -0.00801 -0.01540 0.00421 108 8D-1 0.00703 0.00189 0.04284 0.06525 0.03885 109 8D+2 0.01651 -0.00744 0.02995 0.00178 0.02031 110 8D-2 0.00790 0.02884 0.01483 0.01089 -0.00170 111 6 Cu 1S -0.00255 0.00001 0.00002 -0.00216 0.00003 112 2S -0.05748 0.00005 -0.00028 -0.08507 0.00183 113 3S -0.08239 0.00038 0.00004 -0.23061 0.00391 114 4PX 0.00336 0.01510 -0.00072 0.00213 0.00290 115 4PY -0.01352 0.00369 0.00326 -0.00887 0.00130 116 4PZ 0.00321 -0.00008 0.01521 0.00191 0.00177 117 5PX -0.01557 -0.02256 0.00105 -0.01372 -0.01500 118 5PY 0.06336 -0.00569 -0.00520 0.05578 -0.00685 119 5PZ -0.01455 0.00021 -0.02318 -0.01296 -0.00907 120 6PX 0.00793 0.02803 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179 3S -0.00880 0.00011 0.00041 0.05473 -0.00106 180 4PX 0.01869 -0.00702 0.00016 -0.01314 -0.00470 181 4PY -0.07721 -0.00122 -0.00030 0.05404 -0.00305 182 4PZ 0.01788 -0.00010 -0.00713 -0.01221 -0.00290 183 5PX -0.00528 -0.01651 0.00094 -0.00251 0.00394 184 5PY 0.02132 -0.00413 -0.00352 0.01114 0.00114 185 5PZ -0.00507 -0.00006 -0.01640 -0.00182 0.00224 186 10 O 1S -0.00290 0.00003 0.00006 0.00352 -0.00007 187 2S 0.00964 -0.00008 -0.00022 -0.01182 0.00025 188 3S 0.00379 -0.00005 0.00003 -0.00721 0.00007 189 4PX -0.01064 0.02092 -0.00109 0.01136 0.01013 190 4PY 0.04502 0.00472 0.00358 -0.04679 0.00501 191 4PZ -0.01061 0.00012 0.02100 0.01020 0.00649 192 5PX -0.00136 0.01618 -0.00094 0.00320 0.00399 193 5PY 0.00617 0.00387 0.00324 -0.01344 0.00188 194 5PZ -0.00155 0.00008 0.01613 0.00259 0.00266 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29868 -0.28733 -0.28726 -0.28428 -0.27714 1 1 Cu 1S -0.00003 -0.00001 -0.00004 0.00020 -0.00002 2 2S 0.00091 -0.00003 0.00050 0.00933 -0.00031 3 3S 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1S 0.00084 0.00298 -0.00246 -0.00259 0.00011 24 2S -0.03152 -0.04474 0.03679 0.01681 -0.00333 25 3S -0.07331 0.06183 -0.04559 0.03316 -0.00012 26 4PX -0.00553 -0.00400 0.00710 0.00103 -0.00239 27 4PY 0.00716 0.00239 0.00013 -0.00194 -0.00030 28 4PZ -0.00061 0.00630 -0.00006 -0.00012 -0.00332 29 5PX 0.01612 -0.01085 -0.00148 -0.00927 0.00839 30 5PY -0.00733 -0.00039 -0.00447 -0.00384 0.00538 31 5PZ 0.00013 -0.00232 -0.01051 0.00846 0.01096 32 6PX -0.01905 -0.00559 -0.01246 -0.00737 -0.00904 33 6PY -0.02451 0.03736 -0.03855 -0.02276 -0.00347 34 6PZ 0.01212 -0.03024 0.00083 0.01376 -0.01433 35 7D 0 0.08964 -0.02319 -0.07256 0.01425 0.05055 36 7D+1 -0.02123 0.08980 0.00382 0.04786 -0.10047 37 7D-1 -0.01976 -0.02700 -0.08384 0.04598 0.16649 38 7D+2 0.04380 0.06542 0.06870 0.01351 -0.12100 39 7D-2 0.15165 0.01000 -0.02388 -0.00890 0.08003 40 8D 0 0.02971 -0.00699 -0.02482 0.00488 0.01759 41 8D+1 -0.00649 0.03022 0.00229 0.01595 -0.03496 42 8D-1 -0.00664 -0.00908 -0.03011 0.01683 0.05812 43 8D+2 0.01269 0.02437 0.02268 0.00579 -0.04250 44 8D-2 0.05105 0.00305 -0.00903 -0.00372 0.02759 45 3 Cu 1S 0.00063 -0.00060 0.00042 -0.00448 0.00017 46 2S 0.00195 -0.04408 0.03806 0.12854 -0.00079 47 3S 0.14012 -0.10697 0.08965 0.10736 0.01052 48 4PX 0.01051 0.00127 0.00204 0.01104 -0.00101 49 4PY -0.00144 -0.00355 0.00439 0.00061 -0.00316 50 4PZ -0.00287 0.00355 0.00071 -0.00851 -0.00368 51 5PX -0.04436 0.02247 -0.01135 -0.02542 0.00422 52 5PY -0.00278 0.00441 0.00122 -0.01414 0.01713 53 5PZ 0.02828 -0.00897 0.01906 0.02429 0.02178 54 6PX 0.09214 -0.07071 0.07476 -0.00008 0.00021 55 6PY -0.16774 0.11997 -0.08513 0.00180 0.00141 56 6PZ 0.01909 0.02741 0.00657 -0.00183 0.00635 57 7D 0 0.06788 -0.18708 -0.30314 0.16724 0.04344 58 7D+1 0.03911 -0.03478 -0.07110 0.33319 0.16329 59 7D-1 -0.03308 0.19973 0.22894 0.17770 -0.31584 60 7D+2 0.27450 -0.03001 -0.10159 0.09601 0.18670 61 7D-2 0.31161 0.23722 0.21687 0.11586 -0.15709 62 8D 0 0.02337 -0.06039 -0.09814 0.05489 0.01298 63 8D+1 0.01229 -0.01109 -0.02552 0.11196 0.05335 64 8D-1 -0.01079 0.06823 0.07582 0.05784 -0.10282 65 8D+2 0.09280 -0.01120 -0.03540 0.02960 0.06115 66 8D-2 0.10290 0.07725 0.07224 0.03852 -0.05058 67 4 Cu 1S -0.00004 0.00070 0.00021 -0.00450 0.00001 68 2S -0.00057 0.05419 0.02291 0.12816 -0.00200 69 3S -0.02082 0.13012 0.05217 0.10661 -0.00738 70 4PX -0.00241 -0.00230 -0.00272 -0.01235 -0.00098 71 4PY 0.00182 0.00429 0.00214 -0.00427 0.00226 72 4PZ 0.00900 -0.00294 0.00255 -0.00482 0.00415 73 5PX -0.00201 0.02751 0.00692 0.03489 0.00494 74 5PY -0.00367 0.00714 0.00494 -0.00167 -0.01168 75 5PZ -0.01451 0.00652 0.01374 0.01451 -0.02191 76 6PX -0.01689 -0.02990 -0.02070 -0.00185 0.00083 77 6PY 0.03512 -0.16755 -0.05345 0.00027 -0.00010 78 6PZ 0.03736 -0.00547 0.02513 -0.00180 -0.00474 79 7D 0 -0.27041 0.06635 -0.30879 0.32912 -0.09601 80 7D+1 -0.29648 0.10270 -0.22694 -0.27521 0.00935 81 7D-1 -0.19050 -0.14080 0.32141 0.07503 0.38896 82 7D+2 0.12033 -0.09127 0.07458 0.05088 -0.03057 83 7D-2 0.04126 0.07598 -0.18530 -0.01738 -0.14268 84 8D 0 -0.08851 0.02069 -0.10088 0.10911 -0.03043 85 8D+1 -0.09751 0.03470 -0.07235 -0.09176 0.00394 86 8D-1 -0.06504 -0.04792 0.10824 0.02375 0.12677 87 8D+2 0.03946 -0.02834 0.02387 0.01529 -0.01043 88 8D-2 0.01436 0.02442 -0.06232 -0.00791 -0.04630 89 5 Cu 1S -0.00067 0.00055 0.00381 -0.00271 0.00002 90 2S 0.02617 -0.00822 -0.05680 0.01843 0.00129 91 3S 0.06180 0.01440 0.07715 0.02961 -0.00035 92 4PX 0.00419 0.00484 -0.00208 0.00069 0.00385 93 4PY -0.00493 0.00104 -0.00002 -0.00177 0.00041 94 4PZ 0.00392 -0.00202 -0.00888 0.00145 -0.00052 95 5PX -0.01500 -0.01307 0.00050 -0.00082 -0.01490 96 5PY 0.00349 -0.00223 0.00093 -0.00608 -0.00347 97 5PZ -0.00982 -0.00006 -0.00981 -0.01088 0.00243 98 6PX 0.01350 -0.02416 -0.00663 0.00360 0.01750 99 6PY 0.02622 0.00509 0.05714 -0.02379 0.00362 100 6PZ 0.01320 0.00533 0.00687 -0.00922 -0.00256 101 7D 0 -0.01095 -0.04066 -0.04352 -0.01913 -0.04491 102 7D+1 0.06425 0.12697 -0.03954 -0.00292 0.14596 103 7D-1 -0.11275 0.03456 -0.01325 -0.03673 0.05270 104 7D+2 -0.03292 0.05459 0.05283 0.05343 0.08627 105 7D-2 -0.06712 -0.05310 0.03427 0.01394 -0.17217 106 8D 0 -0.00265 -0.01363 -0.01289 -0.00538 -0.01573 107 8D+1 0.02258 0.04359 -0.01339 -0.00061 0.05125 108 8D-1 -0.03717 0.01210 -0.00415 -0.01336 0.01859 109 8D+2 -0.00976 0.01958 0.01948 0.01917 0.03014 110 8D-2 -0.02326 -0.01958 0.01268 0.00499 -0.05983 111 6 Cu 1S -0.00002 -0.00004 -0.00011 -0.00565 0.00008 112 2S -0.00139 0.00011 0.00024 0.06889 -0.00157 113 3S -0.00309 -0.00290 -0.00764 -0.10719 -0.00001 114 4PX 0.00207 -0.00083 0.00002 -0.00171 -0.00049 115 4PY -0.00028 -0.00019 -0.00017 0.00700 -0.00022 116 4PZ -0.00282 0.00002 -0.00089 -0.00155 0.00032 117 5PX -0.01050 0.02349 -0.00146 -0.00581 -0.00115 118 5PY 0.00171 0.00626 0.00663 0.02332 -0.00035 119 5PZ 0.01513 -0.00021 0.02392 -0.00581 0.00066 120 6PX 0.04984 -0.05529 0.00384 -0.00551 0.00014 121 6PY -0.00487 -0.01355 -0.01059 0.02179 -0.00030 122 6PZ -0.07961 -0.00091 -0.05382 -0.00513 0.00019 123 7D 0 0.12289 -0.09959 -0.20178 0.01517 -0.00404 124 7D+1 0.16327 0.23386 -0.10204 -0.00111 -0.01892 125 7D-1 -0.01778 0.03287 -0.06776 0.00904 0.00732 126 7D+2 -0.08054 0.02569 0.12176 0.00698 0.01157 127 7D-2 0.06304 0.08581 0.03289 0.00421 -0.02450 128 8D 0 0.04125 -0.03473 -0.06898 0.00609 -0.00137 129 8D+1 0.05602 0.08242 -0.03477 -0.00058 -0.00633 130 8D-1 -0.00318 0.01167 -0.02711 0.00391 0.00244 131 8D+2 -0.02759 0.01076 0.04325 0.00391 0.00385 132 8D-2 0.01973 0.02650 0.01188 0.00225 -0.00821 133 7 Cu 1S -0.00012 -0.00359 -0.00147 -0.00255 -0.00001 134 2S 0.00512 0.05365 0.02210 0.01648 0.00245 135 3S 0.01171 -0.07273 -0.02277 0.03503 -0.00042 136 4PX 0.00139 -0.00596 -0.00473 -0.00018 -0.00141 137 4PY -0.00173 -0.00475 -0.00141 -0.00216 -0.00024 138 4PZ -0.00360 -0.00426 0.00334 0.00025 0.00384 139 5PX -0.00648 -0.00846 0.00299 0.01253 0.00591 140 5PY 0.00410 -0.00495 -0.00228 0.00076 -0.00216 141 5PZ 0.01822 0.00186 -0.01177 0.00489 -0.01300 142 6PX 0.00576 0.02614 0.01825 0.01964 -0.00665 143 6PY -0.00004 -0.04228 -0.01784 -0.01755 0.00141 144 6PZ -0.02529 0.02490 -0.01427 0.01063 0.01533 145 7D 0 -0.00677 -0.04128 -0.05737 0.04030 -0.01279 146 7D+1 0.01479 0.07611 -0.04211 -0.04959 -0.05336 147 7D-1 0.06292 0.03473 -0.11411 0.01347 -0.22244 148 7D+2 -0.03951 -0.02046 0.04146 -0.01369 0.02853 149 7D-2 -0.01731 -0.00617 0.04589 0.02063 0.08194 150 8D 0 -0.00238 -0.01474 -0.01920 0.01376 -0.00436 151 8D+1 0.00537 0.02569 -0.01418 -0.01717 -0.01857 152 8D-1 0.02350 0.01138 -0.04064 0.00532 -0.07758 153 8D+2 -0.01346 -0.00843 0.01345 -0.00447 0.01025 154 8D-2 -0.00652 -0.00398 0.01577 0.00869 0.02854 155 8 Cu 1S -0.00051 -0.00014 -0.00079 -0.00446 0.00004 156 2S -0.00335 -0.00806 -0.05497 0.13021 -0.00179 157 3S -0.11504 -0.02087 -0.13408 0.11012 -0.00415 158 4PX -0.00711 0.00379 0.00054 0.00145 0.00386 159 4PY -0.00061 -0.00006 -0.00590 0.00337 0.00145 160 4PZ -0.00758 -0.00061 -0.00033 0.01350 -0.00158 161 5PX 0.01234 0.01105 0.00123 -0.00121 -0.02447 162 5PY 0.01069 0.00356 0.00745 -0.02049 -0.00833 163 5PZ 0.04066 0.00237 0.02897 -0.03237 0.00863 164 6PX -0.06643 0.01823 -0.04730 -0.00141 -0.00665 165 6PY 0.13133 0.02853 0.12599 0.00358 -0.00134 166 6PZ -0.07137 -0.02464 -0.11189 -0.00213 0.00152 167 7D 0 0.03678 -0.03866 0.00291 -0.20334 0.06474 168 7D+1 -0.20692 0.14762 -0.04432 -0.10750 -0.15874 169 7D-1 -0.27619 -0.04503 0.04730 -0.03849 -0.09797 170 7D+2 -0.19326 -0.18769 0.09755 0.34299 -0.18011 171 7D-2 -0.15880 0.51795 -0.04324 0.14922 0.35178 172 8D 0 0.01090 -0.01194 0.00011 -0.06992 0.02141 173 8D+1 -0.06857 0.04525 -0.01403 -0.03606 -0.05280 174 8D-1 -0.09188 -0.01603 0.01359 -0.01296 -0.03203 175 8D+2 -0.06549 -0.06261 0.03358 0.11235 -0.05849 176 8D-2 -0.05166 0.17160 -0.01414 0.04885 0.11380 177 9 C 1S -0.00030 0.00003 -0.00001 0.01070 -0.00022 178 2S 0.00064 -0.00006 0.00005 -0.01704 0.00033 179 3S 0.00076 -0.00030 -0.00024 -0.07243 0.00145 180 4PX -0.00367 -0.03171 0.00162 0.00730 0.00154 181 4PY 0.00129 -0.00782 -0.00695 -0.02896 0.00078 182 4PZ 0.00505 0.00001 -0.03218 0.00737 -0.00104 183 5PX 0.00245 -0.00757 0.00045 0.01073 -0.00113 184 5PY -0.00008 -0.00206 -0.00226 -0.04418 0.00039 185 5PZ -0.00391 0.00005 -0.00794 0.01000 0.00044 186 10 O 1S 0.00006 0.00000 0.00001 -0.00165 0.00005 187 2S -0.00022 0.00001 0.00001 0.00717 -0.00014 188 3S -0.00007 -0.00005 -0.00022 -0.00504 -0.00016 189 4PX 0.00737 0.06200 -0.00318 -0.00563 -0.00221 190 4PY -0.00161 0.01515 0.01364 0.02122 -0.00074 191 4PZ -0.01093 0.00004 0.06295 -0.00623 0.00135 192 5PX 0.00291 0.03238 -0.00165 -0.00241 -0.00087 193 5PY -0.00052 0.00794 0.00723 0.00888 -0.00027 194 5PZ -0.00438 0.00000 0.03296 -0.00272 0.00052 56 57 58 59 60 O O O O O EIGENVALUES -- -0.27669 -0.27656 -0.27108 -0.27097 -0.26925 1 1 Cu 1S 0.00001 0.00000 0.00001 0.00001 -0.00048 2 2S 0.00039 -0.00004 0.00027 0.00009 -0.00655 3 3S 0.00135 -0.00029 0.00202 0.00065 -0.04292 4 4PX -0.00170 -0.01498 0.00010 -0.00445 -0.00094 5 4PY 0.00286 -0.00382 -0.00105 -0.00111 0.00359 6 4PZ 0.01524 -0.00099 -0.00432 0.00012 -0.00092 7 5PX 0.00987 0.08680 -0.00039 0.00137 0.00469 8 5PY -0.01732 0.02240 0.00067 0.00075 -0.01888 9 5PZ -0.08859 0.00553 -0.00025 0.00032 0.00426 10 6PX 0.00237 0.02364 0.00258 -0.03370 0.00553 11 6PY -0.00313 0.00564 -0.00765 -0.00840 -0.02345 12 6PZ -0.02299 0.00174 -0.03680 -0.00084 0.00423 13 7D 0 0.04221 -0.05307 0.04489 0.01943 0.03008 14 7D+1 0.02660 0.15558 0.02059 -0.05260 -0.00550 15 7D-1 0.18657 0.01257 0.01508 -0.00754 0.02297 16 7D+2 -0.09089 0.09720 -0.02801 -0.00651 0.05016 17 7D-2 -0.04264 -0.10159 -0.00942 -0.01650 0.02531 18 8D 0 0.01197 -0.01590 0.01226 0.00551 0.00849 19 8D+1 0.00761 0.04720 0.00557 -0.01508 -0.00155 20 8D-1 0.05772 0.00379 0.00527 -0.00223 0.00649 21 8D+2 -0.02760 0.03010 -0.00814 -0.00239 0.01416 22 8D-2 -0.01310 -0.03213 -0.00275 -0.00363 0.00714 23 2 Cu 1S 0.00042 0.00055 0.00069 -0.00096 -0.00016 24 2S -0.02010 -0.02240 -0.01344 0.01761 0.02875 25 3S 0.00561 0.00722 0.02398 -0.03465 0.00827 26 4PX 0.00020 -0.00039 -0.00269 0.00138 0.00146 27 4PY 0.00622 0.00648 -0.00002 -0.00111 -0.00330 28 4PZ -0.00168 -0.00249 -0.00037 -0.00246 0.00018 29 5PX 0.00068 -0.00591 0.00159 0.00065 -0.00146 30 5PY 0.00688 0.00426 0.00505 -0.00537 -0.00078 31 5PZ 0.00309 -0.00550 -0.00075 0.00359 0.00149 32 6PX 0.00649 0.01204 -0.00120 -0.00788 -0.00177 33 6PY 0.01082 0.01546 0.00761 -0.01424 0.00179 34 6PZ -0.01324 -0.00841 -0.01271 0.00287 0.00063 35 7D 0 0.02666 0.12731 0.02294 0.00895 -0.06400 36 7D+1 -0.05361 -0.04407 -0.05166 -0.05137 0.04084 37 7D-1 0.09578 0.04077 0.05461 0.13667 -0.07443 38 7D+2 0.16882 0.19778 -0.11516 -0.02403 -0.14628 39 7D-2 0.08971 0.02143 0.08245 -0.01639 -0.03608 40 8D 0 0.00956 0.04182 0.00757 0.00317 -0.02167 41 8D+1 -0.01841 -0.01423 -0.01796 -0.01675 0.01391 42 8D-1 0.03376 0.01418 0.01829 0.04665 -0.02554 43 8D+2 0.05668 0.06804 -0.03902 -0.00813 -0.04982 44 8D-2 0.02906 0.00605 0.02788 -0.00542 -0.01199 45 3 Cu 1S 0.00055 0.00067 0.00072 -0.00098 0.00044 46 2S 0.00811 0.00863 -0.00945 0.01228 0.04485 47 3S 0.08127 0.08890 -0.01613 0.02121 -0.02254 48 4PX 0.01283 0.01200 -0.00614 -0.00258 -0.00629 49 4PY -0.01112 -0.01336 -0.00872 0.00595 0.00074 50 4PZ -0.00238 -0.00539 -0.00386 -0.00962 0.00429 51 5PX -0.06590 -0.08450 0.02661 0.00668 0.03437 52 5PY 0.06579 0.06571 0.03820 -0.02831 -0.01730 53 5PZ 0.03460 0.02196 0.01133 0.04239 -0.01821 54 6PX -0.02877 -0.04033 -0.02395 0.03974 -0.00037 55 6PY 0.02197 0.02119 0.06424 -0.07912 0.00159 56 6PZ 0.02085 0.01340 0.00255 0.01051 -0.00017 57 7D 0 0.00219 0.01407 -0.06504 0.05760 0.00126 58 7D+1 0.22838 0.17282 -0.22264 0.40165 -0.08077 59 7D-1 -0.19149 -0.07467 -0.26184 0.17715 0.04283 60 7D+2 -0.18391 -0.31294 0.04978 0.08379 0.08763 61 7D-2 0.10481 0.18128 0.00130 -0.08212 -0.02858 62 8D 0 0.00025 0.00499 -0.02039 0.01834 -0.00012 63 8D+1 0.07415 0.05584 -0.07097 0.12696 -0.02572 64 8D-1 -0.06278 -0.02489 -0.08285 0.05742 0.01258 65 8D+2 -0.06002 -0.10228 0.01472 0.02668 0.02657 66 8D-2 0.03452 0.05899 0.00111 -0.02641 -0.00913 67 4 Cu 1S 0.00024 -0.00084 0.00046 0.00111 0.00046 68 2S 0.00399 -0.01154 -0.00687 -0.01424 0.04460 69 3S 0.03640 -0.11557 -0.01342 -0.02234 -0.02348 70 4PX -0.00392 0.00922 0.00682 0.00452 0.00645 71 4PY -0.00697 0.02205 -0.00469 -0.00696 0.00329 72 4PZ 0.00145 0.00212 -0.00804 0.00769 0.00249 73 5PX 0.01469 -0.06655 -0.03026 -0.02484 -0.02872 74 5PY 0.04172 -0.12280 0.02039 0.03082 -0.03011 75 5PZ 0.01750 -0.00888 0.02956 -0.03354 -0.00929 76 6PX 0.00750 -0.03748 -0.00496 0.00034 -0.00060 77 6PY 0.01427 -0.04748 0.04438 0.10203 0.00210 78 6PZ 0.01095 -0.00771 0.00302 -0.01553 -0.00035 79 7D 0 0.05120 -0.10181 -0.12149 -0.29579 -0.02891 80 7D+1 -0.04617 0.08437 0.13729 0.38147 0.03809 81 7D-1 -0.18816 0.11514 -0.16780 -0.02538 0.04265 82 7D+2 -0.01429 0.11938 0.09463 0.14444 0.04962 83 7D-2 -0.08331 0.46457 0.02766 -0.08672 0.10557 84 8D 0 0.01610 -0.03295 -0.03855 -0.09381 -0.00984 85 8D+1 -0.01538 0.02674 0.04397 0.12112 0.01256 86 8D-1 -0.06137 0.03781 -0.05231 -0.00901 0.01281 87 8D+2 -0.00433 0.03879 0.02984 0.04607 0.01505 88 8D-2 -0.02738 0.15175 0.00790 -0.02844 0.03244 89 5 Cu 1S -0.00070 0.00017 -0.00116 -0.00010 -0.00021 90 2S 0.02964 -0.00670 0.02167 0.00179 0.02933 91 3S -0.00867 0.00257 -0.04115 -0.00327 0.00683 92 4PX 0.00148 -0.00135 0.00080 -0.00213 0.00086 93 4PY -0.00914 0.00178 -0.00018 -0.00040 -0.00312 94 4PZ -0.00010 0.00014 0.00321 0.00063 0.00167 95 5PX 0.00129 -0.00650 0.00109 0.00193 0.00017 96 5PY -0.00784 0.00030 -0.00791 -0.00005 -0.00177 97 5PZ 0.00318 0.00007 -0.00119 -0.00056 -0.00185 98 6PX 0.00228 0.00328 0.00334 -0.00985 -0.00062 99 6PY -0.02161 0.00578 -0.01785 -0.00443 0.00093 100 6PZ -0.01584 0.00311 -0.00757 0.00009 -0.00186 101 7D 0 -0.18352 0.05394 0.05738 0.03638 -0.11206 102 7D+1 -0.01282 -0.05167 0.03629 -0.10551 -0.00110 103 7D-1 -0.09342 0.01795 -0.06989 -0.04702 -0.04200 104 7D+2 -0.20306 0.06580 0.06078 -0.06351 -0.12770 105 7D-2 -0.10821 -0.04365 -0.00674 0.12695 -0.05956 106 8D 0 -0.06273 0.01799 0.01888 0.01222 -0.03826 107 8D+1 -0.00454 -0.01582 0.01208 -0.03565 -0.00048 108 8D-1 -0.02957 0.00601 -0.02391 -0.01596 -0.01394 109 8D+2 -0.06919 0.02266 0.02122 -0.02145 -0.04349 110 8D-2 -0.03647 -0.01483 -0.00208 0.04308 -0.02022 111 6 Cu 1S -0.00002 0.00000 -0.00003 -0.00001 0.00054 112 2S 0.00059 -0.00008 -0.00020 -0.00021 0.05653 113 3S 0.00078 -0.00042 -0.00187 -0.00099 0.15388 114 4PX -0.00070 -0.00600 -0.00003 0.00155 -0.00295 115 4PY 0.00126 -0.00156 0.00025 0.00032 0.01206 116 4PZ 0.00609 -0.00039 0.00149 -0.00002 -0.00273 117 5PX -0.00113 -0.01131 0.00012 -0.00396 0.01888 118 5PY 0.00217 -0.00282 0.00015 -0.00052 -0.07708 119 5PZ 0.01119 -0.00062 -0.00378 -0.00033 0.01763 120 6PX -0.00156 -0.01289 -0.00068 0.03654 0.01021 121 6PY 0.00236 -0.00331 0.00843 0.00881 -0.04084 122 6PZ 0.01218 -0.00098 0.03665 -0.00144 0.00984 123 7D 0 -0.19033 0.06388 -0.28754 -0.14485 0.32437 124 7D+1 -0.11060 -0.07003 -0.12812 0.38960 -0.06605 125 7D-1 0.16964 -0.01460 -0.18499 0.05178 0.26866 126 7D+2 0.02828 0.08667 0.19765 0.07744 0.55749 127 7D-2 -0.01632 -0.24660 0.06468 0.04330 0.29032 128 8D 0 -0.06369 0.02133 -0.09487 -0.04767 0.10668 129 8D+1 -0.03701 -0.02326 -0.04231 0.12812 -0.02173 130 8D-1 0.05708 -0.00488 -0.06040 0.01699 0.08837 131 8D+2 0.00937 0.02915 0.06495 0.02523 0.18333 132 8D-2 -0.00552 -0.08274 0.02126 0.01476 0.09548 133 7 Cu 1S 0.00016 -0.00065 0.00051 0.00107 -0.00014 134 2S -0.00901 0.02857 -0.00987 -0.02031 0.02841 135 3S 0.00199 -0.00891 0.01811 0.03825 0.00879 136 4PX -0.00152 0.00395 0.00190 0.00195 0.00013 137 4PY 0.00255 -0.00765 0.00073 0.00189 -0.00356 138 4PZ -0.00040 0.00240 -0.00158 0.00167 0.00039 139 5PX -0.00358 -0.00081 -0.00284 -0.00336 0.00188 140 5PY 0.00352 -0.00794 0.00333 0.00550 0.00008 141 5PZ 0.00676 0.00442 0.00103 -0.00305 0.00098 142 6PX -0.00401 0.02311 -0.00146 -0.01493 0.00113 143 6PY 0.00241 -0.01070 0.00410 0.01117 0.00253 144 6PZ -0.00871 0.00784 -0.01118 -0.00240 0.00013 145 7D 0 -0.02408 -0.10804 -0.00196 0.00224 -0.05483 146 7D+1 -0.03982 -0.01428 0.04202 0.00781 0.00521 147 7D-1 0.08788 -0.07514 0.13976 -0.10462 -0.06912 148 7D+2 0.08983 -0.20867 -0.01497 0.03157 -0.12044 149 7D-2 0.01789 -0.17358 -0.10498 -0.05875 -0.10956 150 8D 0 -0.00748 -0.03607 -0.00097 0.00018 -0.01858 151 8D+1 -0.01265 -0.00379 0.01444 0.00327 0.00186 152 8D-1 0.03110 -0.02547 0.04736 -0.03552 -0.02361 153 8D+2 0.02929 -0.06966 -0.00502 0.01082 -0.04077 154 8D-2 0.00618 -0.06048 -0.03554 -0.01980 -0.03756 155 8 Cu 1S -0.00089 0.00019 -0.00121 -0.00015 0.00040 156 2S -0.01065 0.00224 0.01523 0.00130 0.04510 157 3S -0.11797 0.02621 0.02779 0.00068 -0.02050 158 4PX -0.00658 -0.00145 -0.00044 -0.01114 -0.00108 159 4PY 0.01411 -0.00367 0.01117 -0.00125 -0.00028 160 4PZ -0.01925 0.00467 0.00276 0.00221 -0.00761 161 5PX 0.03156 -0.01856 0.00231 0.04360 0.00860 162 5PY -0.07351 0.01346 -0.05142 0.00447 -0.01228 163 5PZ 0.11959 -0.02455 -0.01681 -0.00920 0.04043 164 6PX 0.01101 -0.01108 0.02592 0.01334 0.00025 165 6PY -0.01963 0.00351 -0.09658 -0.00960 -0.00054 166 6PZ 0.05607 -0.01193 0.04856 0.00539 0.00043 167 7D 0 0.46645 -0.08752 -0.26551 -0.05363 0.11481 168 7D+1 0.12215 -0.08546 -0.08315 0.07897 0.02710 169 7D-1 -0.12130 0.00394 -0.29332 0.00434 -0.01312 170 7D+2 0.13418 -0.06625 0.36096 0.09985 0.03838 171 7D-2 0.03871 0.05202 0.12599 -0.08769 0.01125 172 8D 0 0.15190 -0.02837 -0.08346 -0.01662 0.03567 173 8D+1 0.03970 -0.02830 -0.02599 0.02421 0.00859 174 8D-1 -0.04008 0.00136 -0.09382 0.00094 -0.00400 175 8D+2 0.04438 -0.02168 0.11519 0.03121 0.01077 176 8D-2 0.01276 0.01658 0.03998 -0.02690 0.00297 177 9 C 1S 0.00012 -0.00005 0.00008 0.00003 -0.00171 178 2S -0.00025 0.00010 -0.00010 -0.00004 0.00046 179 3S -0.00039 0.00025 -0.00059 -0.00025 0.01568 180 4PX 0.00239 0.01935 0.00009 0.00039 -0.00089 181 4PY -0.00423 0.00516 -0.00011 0.00000 0.00391 182 4PZ -0.01935 0.00123 0.00042 0.00001 -0.00074 183 5PX -0.00101 -0.00931 0.00016 -0.00572 0.00091 184 5PY 0.00166 -0.00229 -0.00092 -0.00128 -0.00411 185 5PZ 0.00991 -0.00076 -0.00563 0.00008 0.00088 186 10 O 1S -0.00001 0.00001 -0.00003 -0.00001 0.00115 187 2S 0.00007 -0.00003 0.00003 0.00002 -0.00178 188 3S -0.00012 0.00002 0.00038 0.00015 -0.01133 189 4PX -0.00328 -0.02705 -0.00021 0.00053 0.00165 190 4PY 0.00559 -0.00707 0.00029 0.00024 -0.00701 191 4PZ 0.02682 -0.00164 0.00048 0.00000 0.00136 192 5PX -0.00136 -0.01134 -0.00019 0.00227 0.00056 193 5PY 0.00227 -0.00295 0.00056 0.00059 -0.00229 194 5PZ 0.01109 -0.00065 0.00222 -0.00003 0.00047 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26784 -0.26779 -0.26668 -0.26666 -0.26101 1 1 Cu 1S 0.00000 -0.00001 0.00001 0.00000 0.00001 2 2S 0.00002 0.00014 0.00026 0.00021 -0.00004 3 3S -0.00111 0.00249 0.00184 0.00050 -0.00031 4 4PX -0.01008 -0.00078 0.00890 -0.01249 -0.00019 5 4PY -0.00253 0.00235 0.00473 -0.00099 0.00001 6 4PZ -0.00022 0.01095 0.01158 0.00927 0.00009 7 5PX 0.06871 0.00445 -0.04003 0.05666 0.00057 8 5PY 0.01681 -0.01497 -0.02155 0.00450 0.00004 9 5PZ 0.00087 -0.07298 -0.05226 -0.04164 -0.00032 10 6PX -0.08733 -0.00319 -0.04566 0.06597 -0.00102 11 6PY -0.02135 0.01921 -0.02492 0.00461 -0.00008 12 6PZ 0.00153 0.08887 -0.06959 -0.05371 0.00036 13 7D 0 -0.00222 -0.00712 0.01719 -0.02524 -0.00023 14 7D+1 0.01364 -0.00547 -0.07381 0.08288 0.00119 15 7D-1 0.00145 0.03775 0.13163 0.12793 0.00049 16 7D+2 0.01616 -0.01021 -0.11438 0.02690 0.00010 17 7D-2 -0.02689 -0.00575 0.06015 -0.12350 -0.00089 18 8D 0 -0.00081 -0.00219 0.00495 -0.00785 -0.00008 19 8D+1 0.00451 -0.00167 -0.02264 0.02516 0.00035 20 8D-1 0.00051 0.01216 0.04039 0.03923 0.00016 21 8D+2 0.00524 -0.00334 -0.03500 0.00836 0.00004 22 8D-2 -0.00867 -0.00182 0.01860 -0.03804 -0.00030 23 2 Cu 1S 0.00013 -0.00010 -0.00002 -0.00363 -0.00004 24 2S -0.00165 0.00077 -0.00032 0.03362 0.00056 25 3S -0.00966 -0.01689 -0.00122 -0.15672 -0.00044 26 4PX -0.00075 0.00103 0.00004 0.00361 0.00061 27 4PY 0.00084 0.00134 0.00007 -0.00068 0.00028 28 4PZ -0.00132 0.00062 0.00010 -0.00253 0.00071 29 5PX 0.00587 0.00714 0.00304 0.03162 0.00277 30 5PY 0.00553 0.00322 0.00139 -0.03322 0.00137 31 5PZ -0.00739 -0.00573 0.00386 -0.01046 0.00381 32 6PX -0.01558 -0.00960 0.00761 0.02942 0.00422 33 6PY -0.02159 -0.01735 0.00500 -0.00046 0.00167 34 6PZ 0.01835 0.01623 0.00913 -0.02257 0.00602 35 7D 0 0.07578 -0.02555 -0.09902 -0.13006 0.09719 36 7D+1 -0.10663 0.00644 -0.02216 -0.12316 0.05043 37 7D-1 0.01545 -0.13730 0.08263 0.11590 -0.13637 38 7D+2 -0.04906 0.11642 -0.02683 0.02557 0.06772 39 7D-2 0.11606 0.03264 0.08657 -0.27419 -0.11695 40 8D 0 0.02477 -0.00774 -0.03303 -0.04374 0.03387 41 8D+1 -0.03584 0.00228 -0.00789 -0.04180 0.01632 42 8D-1 0.00530 -0.04673 0.02852 0.03932 -0.04514 43 8D+2 -0.01670 0.03896 -0.00969 0.00911 0.02175 44 8D-2 0.03966 0.01048 0.02941 -0.09241 -0.03949 45 3 Cu 1S -0.00043 -0.00036 0.00000 -0.00032 -0.00001 46 2S -0.00847 -0.00782 0.00025 0.00959 0.00084 47 3S -0.09839 -0.07710 0.00106 0.03483 -0.00028 48 4PX -0.00078 0.00349 -0.00215 -0.00834 0.00724 49 4PY -0.00678 -0.00176 -0.00130 0.01853 0.00400 50 4PZ -0.00195 0.00457 -0.00296 -0.00155 0.00982 51 5PX 0.01893 -0.00723 0.01162 0.04574 -0.04073 52 5PY 0.03697 0.01123 0.00610 -0.08941 -0.02232 53 5PZ -0.00116 -0.03349 0.01573 0.00367 -0.05517 54 6PX 0.08075 0.05096 0.00267 -0.01663 -0.02407 55 6PY -0.06332 -0.06194 0.00535 -0.00258 -0.01430 56 6PZ -0.01833 -0.03461 0.00705 0.01539 -0.03381 57 7D 0 -0.06983 -0.00056 -0.08708 -0.10638 0.38902 58 7D+1 -0.20721 -0.23340 0.04552 -0.05007 -0.04743 59 7D-1 -0.22726 -0.06925 -0.04744 -0.15760 -0.07311 60 7D+2 0.03409 -0.09140 0.07047 -0.18298 -0.09718 61 7D-2 0.03163 0.05360 0.01255 -0.04625 -0.20534 62 8D 0 -0.02239 0.00098 -0.02741 -0.03412 0.12453 63 8D+1 -0.06661 -0.07437 0.01537 -0.01514 -0.01609 64 8D-1 -0.07119 -0.02252 -0.01682 -0.05132 -0.02171 65 8D+2 0.01164 -0.02785 0.02364 -0.05980 -0.03244 66 8D-2 0.01102 0.01652 0.00296 -0.01417 -0.06481 67 4 Cu 1S 0.00052 -0.00016 -0.00029 0.00017 -0.00001 68 2S 0.01119 -0.00526 0.00870 -0.00454 -0.00041 69 3S 0.11696 -0.04431 0.03038 -0.01439 -0.00100 70 4PX -0.00229 -0.00169 0.00036 0.00151 0.00503 71 4PY 0.00646 -0.00165 0.01725 -0.01038 -0.00149 72 4PZ 0.00079 0.00594 -0.00410 -0.00178 -0.01169 73 5PX 0.03189 0.00155 -0.00724 -0.00463 -0.02851 74 5PY -0.02840 0.00661 -0.08571 0.05090 0.00798 75 5PZ 0.00374 -0.03450 0.01864 0.01129 0.06570 76 6PX 0.05716 -0.01456 0.01502 -0.01198 -0.01684 77 6PY 0.10947 -0.04737 0.00309 -0.00209 0.00580 78 6PZ 0.00493 -0.02212 0.01170 0.00265 0.04003 79 7D 0 0.20766 -0.06817 -0.15034 0.03309 -0.29672 80 7D+1 -0.24371 0.15210 0.04080 -0.12135 -0.30301 81 7D-1 0.10733 0.08799 -0.13337 -0.00736 0.04097 82 7D+2 -0.13053 0.01199 -0.08285 0.09818 0.15901 83 7D-2 0.04173 -0.06934 -0.10182 0.08867 -0.06486 84 8D 0 0.06605 -0.02064 -0.04762 0.01100 -0.09466 85 8D+1 -0.07745 0.04907 0.01296 -0.03860 -0.09724 86 8D-1 0.03311 0.02700 -0.04440 -0.00378 0.01086 87 8D+2 -0.04281 0.00409 -0.02683 0.03167 0.05118 88 8D-2 0.01261 -0.02104 -0.03350 0.03002 -0.01980 89 5 Cu 1S -0.00003 0.00008 0.00309 0.00180 0.00003 90 2S 0.00036 -0.00067 -0.02852 -0.01671 -0.00031 91 3S -0.00309 0.02120 0.13545 0.07973 0.00105 92 4PX -0.00180 -0.00002 -0.00040 -0.00042 -0.00093 93 4PY -0.00015 -0.00156 -0.00010 -0.00010 -0.00017 94 4PZ 0.00035 -0.00031 -0.00373 -0.00216 0.00010 95 5PX -0.00078 -0.00032 -0.00713 -0.00989 -0.00491 96 5PY 0.00104 -0.00808 0.02508 0.01347 -0.00087 97 5PZ 0.00179 -0.01209 -0.03170 -0.01761 0.00060 98 6PX -0.00163 -0.00418 0.00280 -0.01221 -0.00722 99 6PY -0.00470 0.03375 -0.00620 -0.00627 -0.00121 100 6PZ -0.00307 0.02357 -0.03318 -0.01700 0.00108 101 7D 0 0.04586 -0.04142 -0.16540 -0.08224 0.00099 102 7D+1 -0.14601 -0.00765 -0.07199 -0.09708 0.00707 103 7D-1 -0.02640 -0.15516 0.22335 0.14276 -0.03068 104 7D+2 -0.07003 0.00951 0.02778 0.07872 -0.08292 105 7D-2 0.10686 0.00098 0.12914 -0.09125 0.20306 106 8D 0 0.01521 -0.01368 -0.05608 -0.02813 -0.00012 107 8D+1 -0.04838 -0.00238 -0.02474 -0.03203 0.00407 108 8D-1 -0.00888 -0.05235 0.07509 0.04831 -0.00991 109 8D+2 -0.02396 0.00335 0.00891 0.02669 -0.02752 110 8D-2 0.03708 0.00055 0.04367 -0.03131 0.06809 111 6 Cu 1S -0.00002 0.00005 -0.00001 0.00000 -0.00001 112 2S 0.00068 -0.00153 0.00112 0.00037 0.00038 113 3S 0.00037 -0.00036 0.00312 0.00104 0.00034 114 4PX 0.00340 0.00020 0.00291 -0.00412 -0.00012 115 4PY 0.00093 -0.00092 0.00178 -0.00021 0.00008 116 4PZ -0.00004 -0.00330 0.00402 0.00324 0.00003 117 5PX -0.01565 -0.00039 -0.02991 0.04184 0.00052 118 5PY -0.00402 0.00353 -0.01726 0.00256 -0.00031 119 5PZ 0.00051 0.01386 -0.04062 -0.03267 -0.00015 120 6PX 0.01512 0.00100 -0.01215 0.01568 0.00025 121 6PY 0.00358 -0.00333 -0.00647 0.00079 -0.00020 122 6PZ 0.00029 -0.01705 -0.01496 -0.01302 -0.00004 123 7D 0 -0.18240 0.22896 0.43802 0.16489 0.00157 124 7D+1 0.50614 0.11005 0.03786 0.34311 0.00153 125 7D-1 0.08226 0.49025 -0.25058 -0.17677 0.00004 126 7D+2 0.24566 -0.31105 0.03585 -0.17212 0.00196 127 7D-2 -0.22163 -0.10057 -0.31709 0.38932 0.00404 128 8D 0 -0.05958 0.07439 0.14357 0.05405 0.00051 129 8D+1 0.16549 0.03572 0.01237 0.11250 0.00048 130 8D-1 0.02694 0.16099 -0.08204 -0.05786 0.00001 131 8D+2 0.08071 -0.10178 0.01167 -0.05641 0.00063 132 8D-2 -0.07331 -0.03292 -0.10390 0.12753 0.00130 133 7 Cu 1S -0.00009 0.00002 -0.00316 0.00180 0.00005 134 2S 0.00157 -0.00028 0.02937 -0.01676 -0.00058 135 3S 0.01463 -0.00863 -0.13638 0.07662 0.00146 136 4PX 0.00044 -0.00104 -0.00316 0.00174 0.00043 137 4PY -0.00123 0.00067 -0.00192 0.00111 -0.00003 138 4PZ 0.00106 0.00142 -0.00122 0.00082 -0.00087 139 5PX 0.01178 -0.00554 -0.01603 0.00694 0.00192 140 5PY -0.00216 0.00020 -0.03757 0.02189 -0.00018 141 5PZ 0.00573 -0.00149 -0.00041 0.00571 -0.00444 142 6PX -0.03147 0.01168 -0.02980 0.01107 0.00270 143 6PY 0.01510 -0.00684 -0.01132 0.00819 -0.00024 144 6PZ -0.01505 0.00837 -0.00511 0.01664 -0.00701 145 7D 0 -0.00998 -0.02660 -0.18762 0.00784 -0.09475 146 7D+1 -0.09636 -0.02997 -0.00727 -0.07389 -0.06280 147 7D-1 -0.04933 -0.16212 0.10644 0.05033 0.16913 148 7D+2 -0.10999 0.09450 -0.13980 0.11457 0.02340 149 7D-2 0.07208 0.04380 0.17639 -0.16588 -0.08318 150 8D 0 -0.00299 -0.00810 -0.06316 0.00277 -0.03260 151 8D+1 -0.03218 -0.00930 -0.00223 -0.02465 -0.02215 152 8D-1 -0.01663 -0.05508 0.03657 0.01765 0.05577 153 8D+2 -0.03712 0.03137 -0.04693 0.03821 0.00852 154 8D-2 0.02474 0.01493 0.05966 -0.05649 -0.02766 155 8 Cu 1S -0.00012 0.00061 0.00023 0.00014 -0.00001 156 2S -0.00105 0.00921 -0.00789 -0.00481 -0.00011 157 3S -0.01913 0.12248 -0.03345 -0.02140 -0.00072 158 4PX -0.00590 -0.00238 0.00257 0.00583 -0.01248 159 4PY -0.00199 0.00565 -0.01593 -0.00838 -0.00266 160 4PZ 0.00115 -0.00123 0.00781 0.00383 0.00200 161 5PX 0.03167 0.01044 -0.01210 -0.03000 0.06993 162 5PY 0.01174 -0.03641 0.07611 0.03999 0.01473 163 5PZ -0.00251 -0.01666 -0.04296 -0.02117 -0.01094 164 6PX 0.02471 -0.02843 0.00647 -0.00625 0.04250 165 6PY -0.00650 0.07328 0.00513 0.00286 0.00921 166 6PZ 0.01242 -0.11024 0.02237 0.01363 -0.00710 167 7D 0 -0.00621 -0.16971 0.05100 0.06950 -0.08948 168 7D+1 0.11269 -0.02643 0.04295 -0.11402 0.34546 169 7D-1 0.06390 -0.20418 0.01172 -0.01867 0.02815 170 7D+2 0.01490 0.26389 0.21599 0.08992 -0.06190 171 7D-2 -0.08461 0.06559 0.08749 0.05505 0.27828 172 8D 0 -0.00188 -0.05511 0.01764 0.02320 -0.02899 173 8D+1 0.03617 -0.00839 0.01441 -0.03686 0.11174 174 8D-1 0.02020 -0.06553 0.00357 -0.00662 0.00956 175 8D+2 0.00422 0.08281 0.07021 0.02826 -0.01879 176 8D-2 -0.02523 0.02062 0.02716 0.01955 0.08716 177 9 C 1S 0.00002 -0.00009 0.00011 0.00004 -0.00005 178 2S -0.00004 0.00014 -0.00019 -0.00007 0.00020 179 3S -0.00013 0.00056 -0.00060 -0.00014 0.00000 180 4PX 0.01008 0.00069 -0.01233 0.01766 0.00027 181 4PY 0.00244 -0.00213 -0.00707 0.00122 0.00022 182 4PZ 0.00020 -0.01110 -0.01630 -0.01293 -0.00018 183 5PX 0.00097 -0.00008 -0.00340 0.00495 0.00041 184 5PY 0.00017 -0.00012 -0.00198 0.00040 0.00010 185 5PZ -0.00008 -0.00152 -0.00434 -0.00342 -0.00022 186 10 O 1S 0.00000 0.00002 -0.00002 -0.00001 0.00000 187 2S 0.00001 -0.00006 0.00006 0.00002 -0.00002 188 3S 0.00000 -0.00006 0.00004 0.00002 0.00013 189 4PX -0.01598 -0.00113 0.01999 -0.02847 -0.00062 190 4PY -0.00392 0.00362 0.01109 -0.00207 -0.00014 191 4PZ -0.00029 0.01776 0.02633 0.02085 0.00031 192 5PX -0.00803 -0.00056 0.01134 -0.01616 -0.00044 193 5PY -0.00196 0.00188 0.00622 -0.00122 -0.00006 194 5PZ -0.00013 0.00907 0.01492 0.01179 0.00021 66 67 68 69 70 O O O O O EIGENVALUES -- -0.25591 -0.25590 -0.25345 -0.25241 -0.25175 1 1 Cu 1S 0.00000 0.00000 0.00001 0.00101 -0.00054 2 2S -0.00016 0.00006 0.00007 -0.00142 -0.00383 3 3S 0.00030 0.00056 0.00106 -0.04313 -0.08498 4 4PX 0.00754 0.01991 -0.00065 -0.00093 -0.00181 5 4PY -0.00291 0.00639 -0.00018 0.00359 0.00700 6 4PZ -0.02079 0.00666 0.00015 -0.00096 -0.00175 7 5PX -0.04988 -0.13188 0.00348 0.00752 -0.00018 8 5PY 0.01913 -0.04229 0.00083 -0.02826 0.00607 9 5PZ 0.13769 -0.04388 -0.00058 0.00892 0.00169 10 6PX -0.05086 -0.13526 0.00151 -0.02667 -0.00616 11 6PY 0.01568 -0.04025 0.00059 0.12564 0.03707 12 6PZ 0.13910 -0.04463 0.00003 -0.01059 0.00327 13 7D 0 -0.03916 0.00894 -0.00032 0.00912 0.02868 14 7D+1 -0.01124 0.04113 0.00223 -0.00042 -0.00354 15 7D-1 0.11011 -0.02771 -0.00082 0.00744 0.01978 16 7D+2 -0.00801 0.06283 -0.00214 0.00760 0.04017 17 7D-2 -0.04535 -0.09683 0.00454 0.00534 0.02060 18 8D 0 -0.01198 0.00326 -0.00011 0.00269 0.00870 19 8D+1 -0.00399 0.01081 0.00063 -0.00016 -0.00117 20 8D-1 0.03109 -0.00796 -0.00023 0.00222 0.00621 21 8D+2 -0.00175 0.01763 -0.00060 0.00237 0.01259 22 8D-2 -0.01290 -0.02809 0.00127 0.00162 0.00649 23 2 Cu 1S 0.00169 0.00102 -0.00006 -0.00043 -0.00063 24 2S -0.02716 -0.01757 0.00107 0.01146 -0.01137 25 3S 0.11428 0.07578 -0.00062 0.12448 -0.00058 26 4PX -0.00195 -0.00189 0.00166 0.00297 -0.00330 27 4PY 0.00244 0.00124 0.00071 -0.00243 0.00334 28 4PZ 0.00120 -0.00014 0.00196 -0.00125 0.00148 29 5PX -0.03492 -0.00755 -0.00624 -0.03237 0.00862 30 5PY -0.01744 -0.00264 -0.00236 0.03174 -0.01888 31 5PZ 0.01674 0.03175 -0.00850 0.01095 -0.00099 32 6PX -0.01276 0.01742 -0.01176 -0.03133 0.00392 33 6PY -0.02629 -0.00435 -0.00603 -0.01949 -0.02144 34 6PZ -0.00726 0.03059 -0.01469 0.02832 0.00271 35 7D 0 0.26515 -0.36625 0.42139 0.22382 -0.01952 36 7D+1 0.20201 0.21122 -0.09200 0.27269 -0.02930 37 7D-1 0.16510 0.17161 -0.01607 0.13343 0.30580 38 7D+2 -0.06424 0.11997 -0.16351 0.15276 0.19020 39 7D-2 -0.23397 0.11702 -0.17842 0.21745 -0.24668 40 8D 0 0.08702 -0.11967 0.14093 0.07509 -0.00715 41 8D+1 0.06556 0.06825 -0.03059 0.09015 -0.01035 42 8D-1 0.05398 0.05712 -0.00556 0.04454 0.10124 43 8D+2 -0.01971 0.03938 -0.05447 0.05201 0.06282 44 8D-2 -0.07691 0.03855 -0.05984 0.07326 -0.08253 45 3 Cu 1S 0.00138 0.00089 -0.00007 -0.00208 -0.00038 46 2S -0.00496 -0.00327 0.00063 0.01541 -0.04944 47 3S 0.08611 0.05538 -0.00433 -0.11048 0.02033 48 4PX 0.00087 0.00215 -0.00156 0.01171 -0.00546 49 4PY -0.00268 -0.00106 -0.00094 -0.01636 0.01204 50 4PZ -0.00123 0.00121 -0.00208 -0.00180 -0.00143 51 5PX -0.01583 -0.01627 0.00976 -0.03840 0.00653 52 5PY -0.00416 -0.00523 0.00628 0.05522 -0.03362 53 5PZ 0.01987 0.00534 0.01231 0.00494 0.01037 54 6PX -0.01012 -0.00338 -0.00554 0.02536 -0.00386 55 6PY 0.01774 0.01419 -0.00473 0.00768 -0.00124 56 6PZ -0.00288 0.00009 -0.01028 -0.02270 0.00333 57 7D 0 -0.06250 0.05897 -0.09084 -0.05619 0.02390 58 7D+1 -0.03781 -0.00166 -0.00830 -0.03486 -0.07620 59 7D-1 -0.04499 -0.11164 0.05667 -0.02158 0.08613 60 7D+2 -0.07603 -0.02319 -0.01002 -0.04374 0.13011 61 7D-2 0.07689 -0.03781 0.06825 -0.07144 -0.01194 62 8D 0 -0.01924 0.01863 -0.02727 -0.01882 0.00754 63 8D+1 -0.01096 0.00044 -0.00249 -0.01039 -0.02270 64 8D-1 -0.01525 -0.03639 0.01701 -0.00735 0.02817 65 8D+2 -0.02561 -0.00790 -0.00293 -0.01573 0.04144 66 8D-2 0.02570 -0.01108 0.02044 -0.02362 -0.00418 67 4 Cu 1S 0.00011 -0.00166 0.00004 -0.00210 -0.00037 68 2S -0.00019 0.00584 0.00003 0.01522 -0.04939 69 3S 0.00618 -0.10238 0.00294 -0.11025 0.02173 70 4PX 0.00089 0.00071 -0.00112 -0.00435 -0.00043 71 4PY -0.00041 0.00324 0.00011 -0.01973 0.01315 72 4PZ -0.00203 -0.00013 0.00255 0.00063 -0.00189 73 5PX -0.00176 -0.02738 0.00723 0.01379 0.01075 74 5PY 0.00136 -0.00346 -0.00184 0.06647 -0.03340 75 5PZ 0.00850 -0.01164 -0.01520 -0.00290 0.00863 76 6PX 0.00207 -0.00005 -0.00431 -0.03160 0.00456 77 6PY 0.00347 -0.02536 0.00207 -0.00586 -0.00033 78 6PZ -0.00318 0.00317 0.01130 -0.01503 0.00241 79 7D 0 -0.07740 0.04063 0.07578 -0.07424 0.00832 80 7D+1 -0.05272 -0.06341 0.06625 0.02977 0.01211 81 7D-1 0.07729 0.05988 -0.06362 -0.02146 0.07447 82 7D+2 0.02668 -0.00230 -0.03001 -0.06987 0.07500 83 7D-2 -0.05278 0.09683 0.03688 0.01567 0.13206 84 8D 0 -0.02426 0.01208 0.02274 -0.02431 0.00340 85 8D+1 -0.01640 -0.01981 0.01993 0.00922 0.00246 86 8D-1 0.02489 0.02005 -0.01909 -0.00747 0.02375 87 8D+2 0.00826 -0.00082 -0.00905 -0.02415 0.02313 88 8D-2 -0.01703 0.03334 0.01095 0.00400 0.04219 89 5 Cu 1S -0.00174 0.00081 0.00001 -0.00051 -0.00071 90 2S 0.02873 -0.01410 -0.00006 0.01244 -0.01137 91 3S -0.12720 0.06066 -0.00069 0.12117 -0.00312 92 4PX 0.00033 -0.00138 -0.00254 0.00089 -0.00111 93 4PY -0.00216 0.00082 -0.00055 -0.00207 0.00256 94 4PZ 0.00272 -0.00115 0.00037 0.00353 -0.00434 95 5PX 0.01108 0.01981 0.00957 -0.01086 0.00476 96 5PY 0.02393 -0.00648 0.00201 0.02813 -0.01544 97 5PZ 0.03787 -0.02187 -0.00120 -0.03587 0.01261 98 6PX 0.01209 0.03665 0.01795 -0.00103 0.00409 99 6PY 0.02802 -0.00519 0.00400 -0.01945 -0.01684 100 6PZ 0.00185 -0.00717 -0.00248 -0.03662 0.00581 101 7D 0 0.09362 -0.16874 -0.10454 -0.15144 0.24425 102 7D+1 0.21186 0.39439 0.40998 -0.11942 0.09216 103 7D-1 0.27609 -0.08069 0.05776 0.09995 -0.32191 104 7D+2 -0.23622 0.05002 -0.02779 0.39253 0.23542 105 7D-2 0.07939 0.29752 0.21150 0.17956 0.05875 106 8D 0 0.02942 -0.05449 -0.03496 -0.04960 0.08136 107 8D+1 0.06894 0.12880 0.13708 -0.03986 0.03095 108 8D-1 0.09014 -0.02658 0.01928 0.03426 -0.10736 109 8D+2 -0.07805 0.01622 -0.00943 0.13138 0.07717 110 8D-2 0.02616 0.09836 0.07105 0.06023 0.01901 111 6 Cu 1S 0.00003 -0.00003 0.00001 -0.00232 -0.00021 112 2S -0.00045 0.00053 0.00100 0.11615 -0.10325 113 3S -0.00138 0.00127 0.00104 0.06880 -0.05462 114 4PX 0.00035 0.00098 -0.00007 -0.00314 0.00127 115 4PY -0.00022 0.00039 0.00005 0.01297 -0.00526 116 4PZ -0.00108 0.00032 0.00000 -0.00277 0.00129 117 5PX -0.00225 -0.00659 0.00024 0.00338 -0.00142 118 5PY 0.00112 -0.00214 -0.00010 -0.01382 0.00503 119 5PZ 0.00729 -0.00223 0.00003 0.00238 -0.00228 120 6PX -0.00461 -0.01421 0.00025 0.00247 0.00025 121 6PY 0.00199 -0.00427 0.00007 -0.01198 -0.00282 122 6PZ 0.01456 -0.00414 -0.00007 0.00131 -0.00074 123 7D 0 0.03085 -0.04549 0.00020 0.06382 0.06699 124 7D+1 0.04811 0.08420 -0.00240 -0.01249 -0.01259 125 7D-1 0.08762 -0.01192 -0.00100 0.05190 0.05145 126 7D+2 -0.04191 0.05619 -0.00151 0.11018 0.09105 127 7D-2 -0.02650 -0.02393 0.00066 0.05700 0.04926 128 8D 0 0.00885 -0.01372 0.00006 0.02056 0.02170 129 8D+1 0.01447 0.02615 -0.00072 -0.00407 -0.00415 130 8D-1 0.02818 -0.00399 -0.00033 0.01683 0.01686 131 8D+2 -0.01290 0.01797 -0.00050 0.03563 0.02982 132 8D-2 -0.00866 -0.00857 0.00025 0.01842 0.01615 133 7 Cu 1S 0.00022 -0.00199 0.00005 -0.00043 -0.00061 134 2S -0.00244 0.03209 -0.00075 0.01144 -0.01126 135 3S 0.01142 -0.13595 0.00116 0.12561 0.00017 136 4PX -0.00024 -0.00154 0.00112 -0.00195 0.00193 137 4PY 0.00033 -0.00358 -0.00019 -0.00346 0.00442 138 4PZ 0.00091 -0.00026 -0.00241 -0.00056 0.00055 139 5PX 0.01262 -0.04323 -0.00381 0.01887 0.00018 140 5PY -0.00204 -0.00016 0.00074 0.04279 -0.02077 141 5PZ -0.01921 -0.02109 0.01017 0.00369 0.00126 142 6PX 0.01583 -0.01175 -0.00827 0.04334 0.00592 143 6PY -0.00451 0.02053 0.00190 -0.00419 -0.02127 144 6PZ -0.03432 -0.01069 0.01799 0.01794 0.00293 145 7D 0 0.35433 -0.14201 -0.30811 0.35813 -0.00011 146 7D+1 0.32485 0.29434 -0.33701 -0.22230 -0.10318 147 7D-1 -0.00430 -0.07118 -0.04876 0.05993 0.17600 148 7D+2 -0.20610 0.17066 0.18361 0.18513 -0.09587 149 7D-2 0.06430 -0.09736 -0.02870 -0.03074 0.36425 150 8D 0 0.11605 -0.04641 -0.10310 0.11952 -0.00096 151 8D+1 0.10621 0.09588 -0.11263 -0.07367 -0.03378 152 8D-1 -0.00245 -0.02395 -0.01599 0.02032 0.05828 153 8D+2 -0.06724 0.05507 0.06141 0.06314 -0.03233 154 8D-2 0.02155 -0.03299 -0.00977 -0.00982 0.12112 155 8 Cu 1S -0.00142 0.00069 0.00000 -0.00213 -0.00041 156 2S 0.00542 -0.00282 0.00023 0.01362 -0.05107 157 3S -0.09033 0.04506 0.00015 -0.11418 0.01688 158 4PX 0.00020 0.00241 0.00258 0.00505 -0.00335 159 4PY 0.00265 -0.00079 0.00042 -0.01453 0.01189 160 4PZ -0.00211 0.00071 -0.00033 0.01304 -0.00520 161 5PX -0.00212 -0.00866 -0.01583 -0.01709 0.00761 162 5PY 0.00892 -0.00663 -0.00314 0.05000 -0.03440 163 5PZ 0.02618 -0.01152 0.00250 -0.04341 0.00193 164 6PX 0.00714 0.00078 0.01234 -0.00239 -0.00203 165 6PY -0.01988 0.00947 0.00264 0.02172 0.00323 166 6PZ 0.00774 -0.00361 -0.00201 0.01993 -0.01203 167 7D 0 0.03874 -0.00821 0.01229 0.02659 0.17297 168 7D+1 -0.00992 -0.04099 -0.05265 0.03355 0.02722 169 7D-1 -0.06271 0.04188 0.00509 -0.06033 -0.00670 170 7D+2 0.11452 -0.00405 0.03527 -0.07452 0.09593 171 7D-2 -0.02412 -0.12524 -0.10314 -0.04371 0.04103 172 8D 0 0.01443 -0.00385 0.00368 0.00702 0.05407 173 8D+1 -0.00211 -0.01284 -0.01582 0.01072 0.00856 174 8D-1 -0.02110 0.01402 0.00150 -0.02041 -0.00321 175 8D+2 0.03683 -0.00144 0.01049 -0.02501 0.03158 176 8D-2 -0.00767 -0.03973 -0.03084 -0.01463 0.01331 177 9 C 1S 0.00009 -0.00003 0.00011 -0.00127 -0.01718 178 2S -0.00042 0.00022 -0.00025 0.01210 0.04339 179 3S 0.00019 -0.00035 -0.00053 -0.02582 0.07189 180 4PX -0.00283 -0.00779 0.00041 -0.00164 -0.01199 181 4PY 0.00085 -0.00236 -0.00024 0.00683 0.04881 182 4PZ 0.00827 -0.00268 -0.00001 -0.00174 -0.01187 183 5PX -0.00355 -0.00876 0.00063 0.00480 -0.00205 184 5PY 0.00155 -0.00312 0.00004 -0.01898 0.00558 185 5PZ 0.00921 -0.00310 -0.00014 0.00368 -0.00373 186 10 O 1S -0.00001 0.00000 -0.00001 -0.00005 0.00200 187 2S 0.00004 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-0.01259 12 6PZ 0.24170 0.02449 -0.00623 -0.08089 -0.05786 13 7D 0 0.10475 -0.03495 -0.00977 -0.00312 -0.17400 14 7D+1 0.04167 0.11525 0.02174 0.00171 -0.05278 15 7D-1 0.01503 0.01713 0.00668 -0.05176 -0.05567 16 7D+2 -0.06079 0.00088 0.02620 0.02258 0.04433 17 7D-2 -0.02464 0.04926 -0.03864 0.00565 0.00898 18 8D 0 0.02820 -0.00962 -0.00300 -0.00157 -0.05080 19 8D+1 0.01125 0.03171 0.00698 0.00023 -0.01525 20 8D-1 0.00460 0.00481 0.00200 -0.01491 -0.01544 21 8D+2 -0.01691 0.00058 0.00750 0.00674 0.01156 22 8D-2 -0.00682 0.01284 -0.01074 0.00172 0.00206 23 2 Cu 1S 0.00052 0.00064 -0.00033 0.00019 -0.00052 24 2S -0.00348 -0.00409 -0.00161 0.00427 0.00824 25 3S 0.00238 0.00685 -0.00317 0.00269 0.00226 26 4PX 0.00060 0.00034 -0.00017 0.00413 0.00115 27 4PY 0.00073 0.00093 0.00101 0.00083 -0.00107 28 4PZ 0.00012 -0.00087 0.00345 0.00185 -0.00458 29 5PX -0.00488 -0.00112 0.00231 -0.01860 -0.00512 30 5PY -0.01146 -0.01381 -0.00255 -0.00411 0.00723 31 5PZ -0.00104 0.01056 -0.01715 -0.00724 0.02021 32 6PX -0.02103 0.00982 -0.00347 0.00145 -0.00095 33 6PY -0.04591 -0.04938 -0.01793 0.01734 0.01300 34 6PZ -0.01334 0.04258 0.01045 -0.00649 0.02549 35 7D 0 0.12683 -0.26717 -0.00166 -0.01453 -0.16056 36 7D+1 -0.15113 -0.22614 -0.16858 -0.08902 0.25673 37 7D-1 -0.30668 -0.24736 0.34108 0.22876 -0.12670 38 7D+2 -0.18499 -0.24597 -0.03765 -0.34436 0.01526 39 7D-2 -0.11994 0.11961 0.04894 0.24992 0.08503 40 8D 0 0.04157 -0.08766 -0.00104 -0.00517 -0.05317 41 8D+1 -0.05049 -0.07586 -0.05586 -0.02908 0.08552 42 8D-1 -0.10137 -0.08190 0.11272 0.07575 -0.04167 43 8D+2 -0.06037 -0.08050 -0.01242 -0.11372 0.00467 44 8D-2 -0.03904 0.03988 0.01622 0.08295 0.02801 45 3 Cu 1S 0.00036 0.00040 -0.00043 0.00030 -0.00136 46 2S 0.01901 0.02609 0.00615 -0.00109 0.02225 47 3S 0.00870 0.01045 -0.02519 0.01284 -0.05581 48 4PX 0.00075 -0.00332 -0.00269 -0.00513 0.00277 49 4PY 0.00012 -0.00171 -0.00164 -0.00362 -0.00233 50 4PZ 0.00358 -0.00033 -0.00550 -0.00593 0.00339 51 5PX 0.00588 0.03710 0.00806 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0.00019 -0.00186 -0.00311 72 4PZ 0.00409 0.00071 0.00446 -0.00841 0.00398 73 5PX -0.00610 0.03511 0.00256 -0.01639 -0.00367 74 5PY -0.01152 0.01446 -0.00576 0.00344 0.01155 75 5PZ -0.02865 -0.00066 -0.01454 0.03097 -0.02257 76 6PX -0.02767 0.06922 0.03089 0.00506 -0.00438 77 6PY -0.05586 0.11004 0.04856 0.01800 -0.01680 78 6PZ -0.01857 0.01242 0.00126 0.01753 -0.00049 79 7D 0 0.03322 -0.06752 0.04834 -0.02886 0.01204 80 7D+1 -0.05490 0.05176 -0.06076 -0.01551 -0.01680 81 7D-1 -0.10165 0.04442 -0.13128 0.20211 -0.12074 82 7D+2 -0.01712 0.05917 -0.07079 -0.06737 -0.01810 83 7D-2 -0.08556 0.20479 -0.03257 -0.14210 -0.03646 84 8D 0 0.00871 -0.02066 0.01625 -0.00949 0.00265 85 8D+1 -0.01780 0.01461 -0.01917 -0.00652 -0.00614 86 8D-1 -0.03193 0.01490 -0.04026 0.06082 -0.03652 87 8D+2 -0.00494 0.01916 -0.02315 -0.02047 -0.00614 88 8D-2 -0.02776 0.06503 -0.01136 -0.04402 -0.01133 89 5 Cu 1S -0.00079 0.00002 0.00001 -0.00031 0.00098 90 2S 0.00456 -0.00030 0.00020 -0.00310 -0.04361 91 3S -0.01854 0.00049 -0.00006 -0.00082 -0.02412 92 4PX 0.00027 -0.00041 0.00498 -0.00081 -0.00046 93 4PY -0.00149 0.00000 0.00097 -0.00049 -0.00404 94 4PZ -0.00086 0.00005 -0.00083 -0.00277 -0.01052 95 5PX -0.00303 0.00633 -0.02199 0.00334 0.00055 96 5PY 0.01990 0.00047 -0.00448 0.00436 0.02591 97 5PZ 0.00845 -0.00110 0.00397 0.01427 0.04802 98 6PX -0.01175 0.04130 -0.00095 0.00462 0.00352 99 6PY 0.07449 0.00525 -0.00584 -0.03054 0.00589 100 6PZ 0.01038 -0.00650 -0.00170 -0.00649 0.04261 101 7D 0 0.03423 -0.03835 0.08035 0.18542 0.59792 102 7D+1 -0.02600 0.16708 -0.25415 0.07249 0.09701 103 7D-1 -0.17947 0.00073 -0.11981 -0.06077 0.17022 104 7D+2 0.46114 -0.10976 -0.23305 0.11026 -0.00925 105 7D-2 0.19942 0.25337 0.43053 -0.02128 0.01684 106 8D 0 0.00988 -0.01244 0.02646 0.06161 0.19953 107 8D+1 -0.00871 0.05460 -0.08341 0.02401 0.03193 108 8D-1 -0.06033 0.00019 -0.03947 -0.02003 0.05819 109 8D+2 0.15216 -0.03621 -0.07709 0.03621 -0.00181 110 8D-2 0.06564 0.08333 0.14273 -0.00716 0.00639 111 6 Cu 1S 0.00010 0.00000 -0.00001 -0.00003 -0.00036 112 2S 0.00247 -0.00086 0.00192 0.00571 0.02115 113 3S -0.00013 -0.00012 0.00258 0.00666 0.00069 114 4PX 0.00010 -0.00477 -0.00414 -0.00007 -0.00052 115 4PY 0.00107 -0.00113 -0.00091 -0.00065 0.00413 116 4PZ 0.00457 0.00047 0.00011 -0.00425 0.00503 117 5PX -0.00096 0.02735 0.01147 -0.00002 -0.00002 118 5PY -0.00639 0.00613 0.00262 0.00185 -0.00825 119 5PZ -0.02668 -0.00276 0.00020 0.01193 -0.02348 120 6PX -0.00120 0.01402 0.00579 -0.00123 0.00069 121 6PY -0.00301 0.00308 0.00186 0.00099 -0.00903 122 6PZ -0.01228 -0.00180 0.00100 0.00410 -0.01839 123 7D 0 0.03230 0.00036 0.05966 0.08415 0.06196 124 7D+1 0.01160 0.00173 -0.18879 0.02838 0.01977 125 7D-1 -0.03939 -0.00412 -0.03922 0.16746 -0.04524 126 7D+2 -0.00700 -0.02374 -0.07915 -0.11801 0.03839 127 7D-2 -0.00371 0.05013 0.06896 -0.03508 0.01471 128 8D 0 0.00861 0.00037 0.01878 0.02581 0.01937 129 8D+1 0.00291 -0.00015 -0.05947 0.00858 0.00609 130 8D-1 -0.01117 -0.00122 -0.01254 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0.01051 0.12365 0.01304 -0.02060 -0.01866 151 8D+1 0.10846 -0.06670 -0.00698 0.00593 -0.07401 152 8D-1 -0.06869 0.03978 -0.09934 0.13645 -0.06701 153 8D+2 -0.03617 0.00082 -0.00013 -0.01910 0.01975 154 8D-2 -0.02572 0.09382 -0.04056 -0.10811 -0.02513 155 8 Cu 1S -0.00050 0.00003 -0.00002 -0.00041 0.00069 156 2S -0.02941 0.00143 0.00257 0.00983 -0.04181 157 3S -0.01295 -0.00032 -0.00300 -0.02692 0.04763 158 4PX -0.00039 -0.00438 -0.01003 0.00119 0.00120 159 4PY 0.00143 -0.00091 -0.00234 0.00040 -0.00118 160 4PZ 0.00275 0.00048 0.00169 0.00125 0.00850 161 5PX -0.00310 0.02818 0.03633 -0.00542 -0.00285 162 5PY -0.00161 0.00611 0.00848 0.00288 -0.00785 163 5PZ -0.03905 -0.00221 -0.00490 -0.00502 -0.03863 164 6PX -0.03056 0.01405 0.01895 0.01248 -0.01579 165 6PY 0.06266 0.00000 -0.00382 -0.02655 0.04589 166 6PZ -0.12723 0.00403 0.00939 0.05845 -0.03939 167 7D 0 0.24230 0.00581 0.03371 0.11988 0.19831 168 7D+1 0.06055 -0.06130 -0.11528 0.03311 0.05398 169 7D-1 -0.04843 -0.01758 -0.05415 0.05175 -0.10913 170 7D+2 0.03700 -0.03272 -0.11350 0.02293 0.11362 171 7D-2 0.01663 0.05105 0.21369 -0.00958 0.03668 172 8D 0 0.07638 0.00219 0.00993 0.03905 0.06150 173 8D+1 0.01892 -0.02057 -0.03326 0.01048 0.01689 174 8D-1 -0.01583 -0.00553 -0.01609 0.01664 -0.03444 175 8D+2 0.01355 -0.00992 -0.03470 0.00663 0.03486 176 8D-2 0.00585 0.01452 0.06569 -0.00301 0.01103 177 9 C 1S 0.00111 -0.00012 0.00023 0.00076 0.00328 178 2S -0.00300 0.00028 -0.00053 -0.00168 -0.00678 179 3S -0.00456 0.00054 -0.00114 -0.00417 -0.02006 180 4PX 0.00037 0.00752 -0.00071 0.00050 0.00199 181 4PY -0.00510 0.00200 -0.00081 -0.00226 -0.01028 182 4PZ -0.00679 -0.00086 0.00036 -0.00022 -0.00372 183 5PX -0.00217 0.02805 -0.01786 0.00020 -0.00130 184 5PY -0.00625 0.00626 -0.00456 -0.00470 0.00530 185 5PZ -0.02982 -0.00308 0.00188 -0.01605 -0.00298 186 10 O 1S -0.00017 0.00001 -0.00001 -0.00008 -0.00105 187 2S 0.00054 -0.00006 0.00009 0.00035 0.00218 188 3S 0.00070 0.00003 -0.00029 -0.00007 0.00854 189 4PX 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-0.09250 -0.02210 14 7D+1 0.16898 -0.04410 -0.00001 -0.03921 0.06866 15 7D-1 0.03041 0.07658 -0.00207 0.03489 0.00372 16 7D+2 0.01962 0.19217 -0.00374 0.02548 -0.02302 17 7D-2 0.07037 0.09353 -0.00092 0.01402 0.08141 18 8D 0 -0.01455 0.02408 -0.00065 -0.02539 -0.00614 19 8D+1 0.04835 -0.01316 -0.00001 -0.01072 0.01906 20 8D-1 0.00875 0.02411 -0.00064 0.00927 0.00109 21 8D+2 0.00541 0.05904 -0.00116 0.00712 -0.00618 22 8D-2 0.02130 0.02881 -0.00031 0.00387 0.02213 23 2 Cu 1S 0.00079 -0.00023 -0.00001 0.00011 -0.00013 24 2S -0.02511 0.05087 -0.00009 -0.02485 0.03747 25 3S -0.01465 0.03606 0.00016 -0.05340 0.08304 26 4PX -0.00719 0.00587 -0.00333 -0.00450 0.00636 27 4PY -0.00147 0.00356 -0.00195 0.00566 -0.00917 28 4PZ 0.00318 -0.00682 -0.00448 0.00058 -0.00146 29 5PX 0.03313 -0.02713 0.01354 0.01305 -0.01926 30 5PY 0.00851 -0.03469 0.00815 -0.02272 0.03584 31 5PZ -0.01525 0.03866 0.01786 0.00002 0.00054 32 6PX 0.03476 -0.01927 0.00715 0.01509 -0.02163 33 6PY 0.00046 -0.01219 0.00415 -0.00943 0.01746 34 6PZ -0.00536 0.02441 0.00942 -0.00625 0.00996 35 7D 0 -0.11712 -0.10406 0.02830 -0.20967 0.15158 36 7D+1 -0.30816 0.42574 0.13674 -0.04375 0.05202 37 7D-1 -0.02639 0.03690 -0.27184 0.08547 -0.04503 38 7D+2 0.33950 -0.24106 0.20691 -0.06828 0.10544 39 7D-2 -0.03374 -0.12849 -0.14871 -0.16516 0.38164 40 8D 0 -0.03823 -0.03618 0.00915 -0.07061 0.05222 41 8D+1 -0.10298 0.14118 0.04493 -0.01419 0.01667 42 8D-1 -0.00871 0.01151 -0.08921 0.02884 -0.01564 43 8D+2 0.11335 -0.08221 0.06803 -0.02372 0.03652 44 8D-2 -0.01044 -0.04447 -0.04867 -0.05679 0.12972 45 3 Cu 1S 0.00126 0.00253 -0.00005 0.00161 -0.00250 46 2S -0.03373 0.01184 -0.00009 0.01886 -0.03028 47 3S 0.05989 0.07210 -0.00241 0.10443 -0.16252 48 4PX 0.00383 -0.01377 -0.00064 -0.00269 0.00792 49 4PY 0.00203 0.01358 -0.00073 0.00189 -0.00100 50 4PZ -0.00072 0.00594 -0.00134 0.00504 -0.00305 51 5PX -0.02390 0.03700 -0.00527 0.00858 -0.02445 52 5PY -0.01597 -0.04615 -0.00174 -0.00699 0.00477 53 5PZ 0.00988 -0.01450 -0.00590 -0.01502 0.00899 54 6PX -0.02728 0.01974 -0.01156 -0.01693 0.03091 55 6PY 0.03755 -0.03450 -0.00552 0.02061 -0.02381 56 6PZ 0.00475 -0.00158 -0.01511 0.01329 -0.00844 57 7D 0 0.00689 0.02154 -0.18159 0.17882 -0.12717 58 7D+1 -0.05241 0.02173 0.12506 -0.02757 -0.01360 59 7D-1 0.06980 -0.11746 -0.15774 -0.00729 0.05642 60 7D+2 0.16809 -0.04799 0.19453 0.04283 -0.16208 61 7D-2 -0.08678 0.09995 -0.01143 0.15890 -0.29224 62 8D 0 0.00163 0.00821 -0.05927 0.05815 -0.04276 63 8D+1 -0.01659 0.00632 0.03906 -0.00886 -0.00389 64 8D-1 0.02183 -0.03752 -0.04813 -0.00349 0.01942 65 8D+2 0.05204 -0.01399 0.06081 0.01453 -0.05258 66 8D-2 -0.02604 0.03456 -0.00199 0.05324 -0.09726 67 4 Cu 1S -0.00102 0.00270 -0.00004 0.00137 0.00264 68 2S 0.03778 0.00626 0.00034 0.01611 0.03192 69 3S -0.05473 0.08071 -0.00306 0.08892 0.17114 70 4PX 0.00546 0.00762 -0.00076 0.00237 0.00761 71 4PY 0.00205 0.01807 -0.00024 0.00279 0.00442 72 4PZ 0.00037 0.00253 0.00144 0.00410 0.00110 73 5PX -0.03317 -0.01355 -0.00317 -0.00715 -0.02259 74 5PY -0.00260 -0.05789 0.00257 -0.00959 -0.01535 75 5PZ -0.00525 -0.00503 0.00723 -0.01223 -0.00302 76 6PX -0.01176 -0.00250 -0.00838 0.00824 0.02087 77 6PY -0.05412 -0.03091 0.00226 0.02075 0.03662 78 6PZ 0.00150 0.00182 0.01766 0.00883 0.00138 79 7D 0 0.00737 0.01759 0.10079 0.13800 0.14409 80 7D+1 0.00879 0.03438 0.16431 0.07375 -0.00823 81 7D-1 -0.05822 -0.06197 0.23793 0.05249 0.00380 82 7D+2 -0.04206 0.06150 -0.10723 0.13006 0.33889 83 7D-2 -0.22550 -0.09737 -0.07784 -0.05543 -0.09224 84 8D 0 0.00291 0.00659 0.03349 0.04480 0.04777 85 8D+1 0.00290 0.01133 0.05318 0.02379 -0.00159 86 8D-1 -0.01842 -0.01918 0.07321 0.01630 0.00108 87 8D+2 -0.01315 0.02259 -0.03442 0.04378 0.11224 88 8D-2 -0.06967 -0.03203 -0.02345 -0.01872 -0.03171 89 5 Cu 1S 0.00006 0.00011 0.00000 -0.00019 -0.00001 90 2S 0.00017 0.03863 -0.00037 0.04557 0.00202 91 3S 0.00064 0.02828 0.00069 0.09901 0.00391 92 4PX -0.00367 0.00009 0.00569 0.00324 -0.00038 93 4PY -0.00068 0.00426 0.00098 -0.00959 -0.00058 94 4PZ 0.00018 0.00441 -0.00089 0.00879 0.00045 95 5PX 0.01696 0.00316 -0.02292 -0.01167 0.00035 96 5PY 0.00225 -0.03715 -0.00342 0.03927 0.00200 97 5PZ -0.00094 -0.02107 0.00355 -0.02551 -0.00102 98 6PX 0.02683 -0.00037 -0.01230 -0.00749 0.00028 99 6PY 0.00488 -0.01688 -0.00234 0.01403 0.00101 100 6PZ -0.00188 -0.01158 0.00190 -0.03096 -0.00131 101 7D 0 -0.04737 -0.20794 0.04742 -0.08310 -0.01779 102 7D+1 0.28140 -0.02545 -0.15573 -0.14194 0.05678 103 7D-1 0.05267 -0.25165 -0.07531 0.40544 0.01734 104 7D+2 0.04556 0.00692 -0.15405 0.19666 -0.02239 105 7D-2 -0.00912 -0.02844 0.30708 0.14361 0.10316 106 8D 0 -0.01559 -0.06954 0.01565 -0.02695 -0.00583 107 8D+1 0.09308 -0.00796 -0.05132 -0.04808 0.01862 108 8D-1 0.01739 -0.08468 -0.02469 0.13865 0.00592 109 8D+2 0.01493 0.00013 -0.05050 0.06682 -0.00737 110 8D-2 -0.00294 -0.01058 0.10069 0.04898 0.03427 111 6 Cu 1S 0.00010 0.00163 -0.00005 0.00000 0.00000 112 2S -0.00564 -0.09129 0.00199 -0.00068 0.00009 113 3S -0.00051 -0.00482 0.00099 -0.00027 0.00019 114 4PX 0.00582 0.00275 -0.00015 -0.00060 -0.01008 115 4PY 0.00050 -0.01212 0.00023 -0.00245 -0.00218 116 4PZ -0.00023 0.00427 -0.00001 -0.01006 0.00112 117 5PX -0.02454 -0.00184 0.00049 0.00255 0.04316 118 5PY -0.00468 0.01145 -0.00025 0.01028 0.00936 119 5PZ 0.00154 -0.00916 -0.00011 0.04308 -0.00473 120 6PX -0.02063 -0.00352 0.00011 0.00083 0.01983 121 6PY -0.00336 0.01979 -0.00048 0.00480 0.00434 122 6PZ 0.00102 -0.00867 0.00011 0.02064 -0.00205 123 7D 0 0.00087 -0.07419 0.00110 -0.18292 -0.01894 124 7D+1 -0.01055 0.02447 0.00330 -0.09611 0.04560 125 7D-1 -0.00004 -0.08392 0.00023 0.21449 -0.02512 126 7D+2 0.02024 -0.13848 0.00073 -0.01436 -0.11110 127 7D-2 -0.07447 -0.06881 0.00483 0.01753 0.27064 128 8D 0 0.00012 -0.02400 0.00036 -0.06083 -0.00630 129 8D+1 -0.00300 0.00776 0.00104 -0.03195 0.01519 130 8D-1 0.00000 -0.02688 0.00005 0.07132 -0.00834 131 8D+2 0.00630 -0.04450 0.00021 -0.00476 -0.03693 132 8D-2 -0.02328 -0.02216 0.00158 0.00582 0.08995 133 7 Cu 1S -0.00088 -0.00010 0.00001 0.00007 0.00014 134 2S 0.03354 0.04617 -0.00042 -0.02082 -0.03962 135 3S 0.02120 0.03362 0.00094 -0.04632 -0.08704 136 4PX -0.00918 -0.00717 -0.00222 0.00160 0.00245 137 4PY -0.00181 0.00087 0.00046 0.00594 0.01161 138 4PZ -0.00214 -0.00422 0.00545 -0.00036 0.00017 139 5PX 0.04458 0.04221 0.00878 -0.00216 -0.00272 140 5PY 0.00466 -0.01989 -0.00126 -0.02234 -0.04267 141 5PZ 0.01123 0.02523 -0.02213 0.00187 0.00274 142 6PX 0.03657 0.02330 0.00501 -0.00949 -0.01560 143 6PY 0.01493 -0.00434 -0.00127 -0.01298 -0.02635 144 6PZ 0.00116 0.01709 -0.01130 -0.00150 -0.00466 145 7D 0 0.23426 0.05263 -0.06563 -0.18794 -0.18867 146 7D+1 -0.19629 -0.28533 0.01658 -0.05788 0.03378 147 7D-1 -0.05346 -0.09900 0.35864 0.04922 -0.02072 148 7D+2 -0.30634 -0.31187 -0.02827 -0.14708 -0.36010 149 7D-2 -0.33866 -0.10575 -0.15624 0.06162 0.18994 150 8D 0 0.07723 0.01578 -0.02140 -0.06306 -0.06420 151 8D+1 -0.06563 -0.09423 0.00560 -0.01948 0.01042 152 8D-1 -0.01825 -0.03361 0.11775 0.01626 -0.00712 153 8D+2 -0.10329 -0.10595 -0.00930 -0.05080 -0.12321 154 8D-2 -0.11264 -0.03567 -0.05124 0.02091 0.06398 155 8 Cu 1S 0.00027 0.00300 -0.00004 -0.00299 -0.00014 156 2S -0.00306 -0.00561 0.00006 -0.03535 -0.00165 157 3S 0.01063 0.09813 -0.00271 -0.19286 -0.00884 158 4PX 0.00338 -0.00477 0.00197 0.00125 0.00342 159 4PY 0.00160 0.01146 0.00012 0.00009 0.00070 160 4PZ -0.00114 -0.01438 0.00003 0.00960 -0.00007 161 5PX -0.01696 0.01557 0.00626 -0.00438 -0.01032 162 5PY -0.00777 -0.04534 0.00254 0.00223 -0.00204 163 5PZ 0.00273 0.03177 -0.00188 -0.02982 0.00032 164 6PX -0.00105 0.00364 0.01897 0.01145 0.00817 165 6PY 0.00232 -0.01492 0.00456 -0.02625 0.00029 166 6PZ -0.00266 0.00502 -0.00295 0.04263 0.00062 167 7D 0 -0.00088 0.00257 0.07947 -0.01042 0.02564 168 7D+1 0.05159 -0.02382 -0.28964 0.10563 -0.09092 169 7D-1 0.02146 0.08459 -0.07821 -0.34535 -0.03364 170 7D+2 0.04478 -0.01114 -0.08368 -0.17454 -0.01601 171 7D-2 -0.06503 0.01538 0.08082 -0.13244 -0.02298 172 8D 0 -0.00043 0.00076 0.02531 -0.00294 0.00810 173 8D+1 0.01654 -0.00846 -0.09228 0.03508 -0.02857 174 8D-1 0.00683 0.03011 -0.02449 -0.11552 -0.01089 175 8D+2 0.01339 -0.00257 -0.02536 -0.05675 -0.00506 176 8D-2 -0.01864 0.00562 0.02270 -0.04357 -0.00749 177 9 C 1S -0.00089 -0.01426 0.00032 0.00000 -0.00001 178 2S 0.00178 0.02911 -0.00058 -0.00003 0.00002 179 3S 0.00566 0.08954 -0.00216 0.00025 0.00002 180 4PX -0.00609 -0.00903 0.00032 0.00025 0.00518 181 4PY 0.00115 0.03841 -0.00082 0.00130 0.00117 182 4PZ -0.00013 -0.01020 0.00013 0.00548 -0.00052 183 5PX -0.00161 0.00627 0.00038 0.00000 -0.00079 184 5PY -0.00204 -0.02459 0.00041 0.00012 -0.00016 185 5PZ 0.00050 0.00490 -0.00024 -0.00077 -0.00003 186 10 O 1S 0.00029 0.00458 -0.00010 -0.00001 0.00000 187 2S -0.00060 -0.00946 0.00021 0.00001 -0.00001 188 3S -0.00243 -0.03775 0.00079 0.00011 0.00002 189 4PX 0.01511 0.00708 -0.00055 -0.00036 -0.00702 190 4PY 0.00124 -0.03240 0.00065 -0.00177 -0.00155 191 4PZ 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0.09701 -0.04092 0.15628 16 7D+2 0.07551 -0.02368 0.18921 -0.07288 -0.03736 17 7D-2 0.02652 -0.03022 0.09886 -0.04086 0.00093 18 8D 0 -0.01922 0.01091 0.03964 -0.01096 -0.01452 19 8D+1 -0.01071 -0.03243 -0.00768 0.00258 -0.00911 20 8D-1 -0.01565 -0.00603 0.03185 -0.01007 0.03352 21 8D+2 0.02297 -0.01017 0.06141 -0.01829 -0.00940 22 8D-2 0.00835 -0.00205 0.03231 -0.01013 -0.00037 23 2 Cu 1S -0.00024 -0.00043 0.00002 0.00742 -0.00014 24 2S -0.22704 -0.26691 -0.17267 0.18178 -0.04166 25 3S -0.09546 -0.11628 -0.07704 0.00780 0.04213 26 4PX -0.01379 -0.00433 -0.00911 -0.03044 -0.00088 27 4PY 0.00513 0.01148 0.01234 0.00976 -0.02461 28 4PZ -0.00479 0.00910 0.00326 0.01939 0.00814 29 5PX 0.00778 -0.01783 0.00859 0.15000 -0.02800 30 5PY 0.00054 -0.01344 -0.00741 -0.04808 0.11132 31 5PZ 0.02370 -0.00522 -0.00654 -0.09525 -0.01699 32 6PX 0.01765 -0.01156 0.00038 0.05796 -0.00903 33 6PY 0.04220 0.03298 -0.00005 -0.10705 0.01510 34 6PZ 0.00702 -0.03398 -0.00403 -0.00134 0.02626 35 7D 0 -0.10276 0.02137 -0.02950 -0.00830 -0.01015 36 7D+1 0.01116 -0.04153 -0.01950 -0.04495 -0.02384 37 7D-1 -0.04417 -0.00740 0.04191 0.01928 0.01301 38 7D+2 0.01561 -0.08183 0.00014 0.03431 0.01088 39 7D-2 -0.01587 -0.04591 -0.08226 -0.03163 0.04494 40 8D 0 -0.03124 0.00904 -0.00846 -0.00443 -0.00215 41 8D+1 0.00617 -0.01047 -0.00414 -0.01376 -0.00729 42 8D-1 -0.01401 -0.00173 0.01374 0.00702 0.00342 43 8D+2 0.00576 -0.02571 -0.00008 0.00949 0.00648 44 8D-2 -0.00262 -0.01161 -0.02498 -0.01305 0.01335 45 3 Cu 1S -0.00056 -0.00069 -0.00041 0.00157 0.00440 46 2S -0.13765 -0.18093 0.02583 -0.09313 0.13269 47 3S 0.02406 0.02310 0.04448 0.09436 -0.03475 48 4PX 0.00912 0.02862 0.02620 -0.03321 0.00597 49 4PY -0.02335 -0.01222 -0.04798 -0.01618 -0.00647 50 4PZ -0.02018 0.00146 0.00216 0.03063 0.03052 51 5PX -0.03605 -0.09268 -0.07164 0.10735 -0.03137 52 5PY 0.05288 0.01982 0.12718 0.02450 0.04251 53 5PZ 0.06816 0.01180 -0.00444 -0.08680 -0.12291 54 6PX -0.06875 -0.09439 -0.01436 0.14338 -0.00192 55 6PY 0.05404 0.05431 0.01927 -0.05332 0.07431 56 6PZ 0.04449 0.03661 0.00153 -0.08433 -0.07205 57 7D 0 -0.13938 0.00848 0.04662 0.02812 0.02545 58 7D+1 0.03473 0.01706 -0.00247 -0.03199 -0.03735 59 7D-1 0.01351 0.00099 -0.08833 -0.03535 0.03535 60 7D+2 -0.03397 -0.08931 -0.03543 0.02330 -0.04002 61 7D-2 -0.01800 -0.13651 0.11025 0.06324 0.00275 62 8D 0 -0.04462 0.00322 0.01455 0.01012 0.00548 63 8D+1 0.01417 0.00912 -0.00061 -0.00703 -0.01310 64 8D-1 0.00475 0.00139 -0.03027 -0.01139 0.01101 65 8D+2 -0.01189 -0.02992 -0.01340 0.00633 -0.01189 66 8D-2 -0.00555 -0.04361 0.03614 0.02206 -0.00025 67 4 Cu 1S -0.00036 0.00084 -0.00037 0.00143 0.00372 68 2S -0.08249 0.21074 0.03401 -0.09707 0.11335 69 3S 0.01337 -0.03125 0.04390 0.09496 -0.03131 70 4PX 0.00108 0.02026 -0.00259 0.04350 0.00341 71 4PY -0.01881 0.03085 -0.05305 0.00024 -0.00503 72 4PZ -0.01998 -0.00352 0.00642 0.01875 0.03054 73 5PX 0.00761 -0.08204 0.00800 -0.12534 -0.01386 74 5PY 0.04894 -0.07700 0.14164 -0.02598 0.03597 75 5PZ 0.05988 -0.00276 -0.01654 -0.05091 -0.12376 76 6PX 0.02859 -0.08279 0.00261 -0.12599 -0.03925 77 6PY 0.05079 -0.10586 0.01990 -0.11353 0.05221 78 6PZ 0.02190 -0.01866 -0.00209 -0.04295 -0.06154 79 7D 0 -0.10470 0.02277 0.03243 0.00924 0.00724 80 7D+1 -0.09249 -0.01020 0.04498 0.03437 0.03678 81 7D-1 -0.00570 0.02561 -0.03848 -0.00529 0.05730 82 7D+2 -0.00919 0.16310 0.07903 0.07477 -0.02058 83 7D-2 -0.02377 -0.01169 -0.11685 -0.02694 -0.01626 84 8D 0 -0.03273 0.00477 0.00974 0.00548 -0.00038 85 8D+1 -0.03106 -0.00020 0.01525 0.00907 0.01123 86 8D-1 -0.00227 0.00850 -0.01366 -0.00221 0.01773 87 8D+2 -0.00367 0.05431 0.02491 0.02389 -0.00650 88 8D-2 -0.00841 -0.00204 -0.03985 -0.01112 -0.00400 89 5 Cu 1S 0.00049 -0.00009 -0.00007 0.00753 0.00102 90 2S 0.32561 -0.04062 -0.21153 0.18101 0.09416 91 3S 0.13994 -0.02013 -0.09400 0.01524 -0.06859 92 4PX 0.00524 0.01185 -0.00391 -0.00560 -0.00973 93 4PY -0.00842 0.00360 0.01169 0.00135 0.04700 94 4PZ 0.01217 -0.00322 -0.01242 -0.03716 -0.00046 95 5PX -0.00429 -0.02788 0.00200 0.02753 0.05192 96 5PY 0.01090 -0.00773 -0.00635 -0.00856 -0.20241 97 5PZ 0.01308 0.00264 0.00996 0.18001 0.07006 98 6PX 0.00531 -0.03591 -0.00150 0.02919 0.00950 99 6PY -0.05514 -0.00065 0.00617 -0.09846 -0.01288 100 6PZ -0.00554 0.00586 0.00245 0.06340 0.05078 101 7D 0 0.01316 0.02698 0.03793 0.06377 -0.02608 102 7D+1 -0.02999 -0.11224 0.02852 0.01910 0.00795 103 7D-1 0.01762 -0.02492 -0.08705 -0.01572 -0.06011 104 7D+2 0.07465 -0.02415 -0.01761 0.00337 -0.01206 105 7D-2 0.03551 -0.01438 -0.02072 -0.00210 -0.01633 106 8D 0 0.00714 0.00834 0.00988 0.02004 -0.01105 107 8D+1 -0.00786 -0.03647 0.00809 0.00693 0.00237 108 8D-1 0.00330 -0.00779 -0.02706 -0.00842 -0.01975 109 8D+2 0.02029 -0.00743 -0.00373 -0.00003 -0.00677 110 8D-2 0.00945 -0.00407 -0.00568 -0.00164 -0.00644 111 6 Cu 1S 0.00007 -0.00003 0.00121 0.01158 0.00037 112 2S 0.02806 -0.01096 0.34460 0.17559 0.00554 113 3S -0.00219 0.00049 -0.00186 0.48796 0.01346 114 4PX 0.00022 0.00975 -0.00214 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2S -0.14489 0.32549 -0.16015 0.18221 -0.03613 135 3S -0.05827 0.14178 -0.07198 0.00534 0.03391 136 4PX 0.00780 -0.00422 0.00385 0.02779 0.01126 137 4PY 0.00591 -0.01557 0.01452 0.02278 -0.01881 138 4PZ -0.01010 -0.00573 0.00112 0.01020 0.00482 139 5PX -0.00548 -0.01847 -0.00717 -0.13819 -0.02185 140 5PY 0.00093 0.00633 -0.01040 -0.11212 0.09682 141 5PZ 0.02695 0.00375 -0.00431 -0.05079 -0.01387 142 6PX -0.02494 0.02001 -0.00099 -0.00876 0.00699 143 6PY 0.02169 -0.04023 -0.00176 -0.12156 0.01671 144 6PZ 0.02353 0.02811 -0.00261 0.00823 0.02379 145 7D 0 -0.08324 0.03306 -0.03232 -0.02545 -0.01857 146 7D+1 -0.05908 -0.05585 -0.00307 0.02010 -0.00398 147 7D-1 -0.06079 0.00191 0.02280 0.01944 0.02847 148 7D+2 0.01757 0.07435 -0.05958 0.00498 0.03709 149 7D-2 0.01145 0.01767 0.06559 0.05620 -0.01513 150 8D 0 -0.02491 0.00643 -0.00860 -0.00949 -0.00475 151 8D+1 -0.02014 -0.01542 -0.00234 0.00562 -0.00125 152 8D-1 -0.01979 0.00033 0.00721 0.00609 0.00745 153 8D+2 0.00676 0.02148 -0.01874 -0.00189 0.01302 154 8D-2 0.00287 0.00790 0.01991 0.01882 -0.00238 155 8 Cu 1S 0.00079 -0.00011 -0.00054 0.00189 -0.00805 156 2S 0.22642 -0.03221 0.00059 -0.08369 -0.25464 157 3S -0.02808 0.00455 0.04526 0.09418 0.07075 158 4PX -0.00412 0.02193 0.01495 -0.00120 -0.00478 159 4PY 0.01448 0.00348 -0.04731 -0.02549 0.02874 160 4PZ -0.02944 0.00016 0.03076 -0.04221 0.01662 161 5PX 0.01008 -0.06044 -0.03987 0.00944 0.02708 162 5PY -0.01779 -0.01305 0.12326 0.05422 -0.14758 163 5PZ 0.10355 -0.00344 -0.08684 0.13435 -0.05522 164 6PX 0.02925 -0.01769 -0.00903 0.02798 0.03109 165 6PY -0.05502 0.00204 0.02187 -0.01414 -0.17276 166 6PZ 0.13428 -0.01442 -0.02778 0.16938 -0.04159 167 7D 0 0.04613 0.02313 -0.05853 0.01772 -0.01718 168 7D+1 -0.04725 -0.10092 -0.03786 -0.01254 -0.00517 169 7D-1 0.14626 -0.03284 0.11678 0.08354 0.00775 170 7D+2 0.07252 0.00790 -0.04002 0.00085 0.01303 171 7D-2 0.04319 -0.08587 0.00117 0.01342 0.00509 172 8D 0 0.01895 0.00696 -0.02093 0.00234 -0.00882 173 8D+1 -0.01416 -0.03279 -0.01261 -0.00525 -0.00349 174 8D-1 0.04869 -0.01088 0.03834 0.02730 0.00445 175 8D+2 0.02136 0.00274 -0.01461 0.00143 0.00660 176 8D-2 0.01332 -0.02736 -0.00028 0.00491 0.00305 177 9 C 1S -0.00358 0.00144 -0.04387 0.00948 0.00021 178 2S 0.00851 -0.00341 0.10619 -0.02119 -0.00053 179 3S 0.01462 -0.00597 0.17165 -0.09281 -0.00189 180 4PX -0.00642 -0.09693 -0.03050 0.00043 0.01884 181 4PY 0.03074 -0.02728 0.11168 -0.02625 0.08612 182 4PZ 0.09554 0.00204 -0.03471 -0.00609 0.35745 183 5PX -0.00237 -0.04460 -0.00635 0.00636 0.01076 184 5PY 0.01184 -0.01167 0.01954 -0.03957 0.04775 185 5PZ 0.04406 0.00079 -0.00867 0.00266 0.20005 186 10 O 1S 0.00066 -0.00025 0.00793 0.00302 0.00013 187 2S -0.00213 0.00082 -0.02529 -0.00732 -0.00036 188 3S -0.00189 0.00071 -0.02366 -0.02134 -0.00068 189 4PX 0.00649 0.11896 0.02038 0.00306 -0.01484 190 4PY -0.03214 0.03105 -0.06727 0.00697 -0.06874 191 4PZ -0.11856 -0.00195 0.02648 0.00780 -0.28312 192 5PX 0.00359 0.07287 0.00796 0.00169 -0.01046 193 5PY -0.01810 0.01840 -0.02244 0.00675 -0.04822 194 5PZ -0.07266 -0.00107 0.01188 0.00505 -0.19885 86 87 88 89 90 V V V V V EIGENVALUES -- -0.08892 -0.06385 -0.06338 -0.04242 -0.02217 1 1 Cu 1S -0.00006 -0.00003 0.00003 0.00989 0.00058 2 2S -0.00211 -0.00061 0.00082 0.26542 0.05878 3 3S 0.00348 0.00111 0.00015 -0.18622 0.16161 4 4PX -0.03781 -0.03409 -0.00018 0.00706 -0.00131 5 4PY -0.00800 -0.00795 0.00743 -0.02905 0.00396 6 4PZ 0.00396 0.00151 0.03405 0.00681 -0.00181 7 5PX 0.16286 0.11479 0.00050 -0.03219 -0.01918 8 5PY 0.03469 0.02688 -0.02560 0.13266 0.08127 9 5PZ -0.01713 -0.00531 -0.11400 -0.03060 -0.01687 10 6PX -0.00857 -0.37208 -0.00365 -0.02891 0.02361 11 6PY 0.00123 -0.08490 0.08407 0.11613 -0.15763 12 6PZ 0.00412 0.01961 0.38385 -0.02701 0.00068 13 7D 0 0.00191 0.02145 -0.01760 -0.04721 0.00940 14 7D+1 -0.01798 -0.07346 -0.00203 0.00913 0.00013 15 7D-1 -0.02445 -0.01601 -0.08857 -0.03803 0.00182 16 7D+2 -0.07885 -0.04230 0.04659 -0.07924 0.00978 17 7D-2 0.16554 0.05444 0.01457 -0.04092 0.00332 18 8D 0 0.00125 0.00540 -0.00687 -0.01387 0.00021 19 8D+1 -0.00666 -0.01752 -0.00195 0.00271 0.00034 20 8D-1 -0.00561 -0.00352 -0.01706 -0.01126 -0.00095 21 8D+2 -0.01669 -0.00801 0.01061 -0.02331 -0.00080 22 8D-2 0.03374 0.00836 0.00337 -0.01207 -0.00076 23 2 Cu 1S 0.00080 -0.00810 -0.00590 0.00337 -0.00369 24 2S 0.07841 -0.17959 -0.13057 0.02608 -0.02142 25 3S -0.05455 -0.16786 -0.11938 0.20453 -0.05298 26 4PX -0.00302 0.01832 0.03371 0.02008 0.01901 27 4PY 0.03734 -0.00546 0.00665 0.02249 -0.04471 28 4PZ -0.01447 -0.03340 0.00226 -0.02395 0.00027 29 5PX 0.05898 -0.09831 -0.15325 -0.10393 -0.09277 30 5PY -0.17184 0.05584 -0.00259 -0.07801 0.19952 31 5PZ 0.02996 0.13897 -0.00537 0.10930 0.00518 32 6PX 0.04285 -0.08837 -0.13942 -0.05242 -0.10835 33 6PY -0.01555 -0.03570 -0.06580 -0.01656 0.28741 34 6PZ -0.00954 0.16134 0.01713 0.04614 -0.01470 35 7D 0 -0.03709 -0.01049 0.02121 -0.01504 0.00397 36 7D+1 0.02073 0.02278 -0.00160 0.02906 0.00552 37 7D-1 0.02585 0.00562 0.02786 -0.01534 0.01347 38 7D+2 -0.03099 0.02150 -0.01398 -0.04465 0.01281 39 7D-2 -0.02386 -0.00578 -0.00365 -0.00928 -0.00393 40 8D 0 -0.01261 -0.00239 0.00540 -0.00489 0.00042 41 8D+1 0.00793 0.00958 0.00141 0.00811 -0.00013 42 8D-1 0.00554 0.00024 0.00797 -0.00418 0.00296 43 8D+2 -0.01183 0.00403 -0.00601 -0.01315 0.00330 44 8D-2 -0.00886 -0.00120 0.00035 -0.00365 -0.00168 45 3 Cu 1S -0.00678 0.00271 0.00205 -0.00588 0.00356 46 2S -0.21335 0.09398 0.06998 -0.13096 -0.00494 47 3S 0.05868 -0.06676 -0.04782 -0.28113 0.04231 48 4PX 0.01936 -0.00286 0.03157 0.01183 -0.05040 49 4PY 0.02633 -0.02463 0.00021 0.02841 0.02194 50 4PZ -0.00431 -0.02443 0.02702 -0.02022 0.02631 51 5PX -0.06804 -0.01527 -0.12671 -0.08105 0.13487 52 5PY -0.13276 0.14268 0.04096 -0.04233 0.00246 53 5PZ 0.02090 0.07994 -0.09670 0.07719 -0.09246 54 6PX -0.03278 0.20092 0.12828 -0.12832 0.02075 55 6PY -0.13869 -0.23525 -0.17664 0.00497 0.07730 56 6PZ 0.05262 -0.03864 -0.04780 0.09404 -0.03766 57 7D 0 0.02614 -0.03042 0.02299 0.02298 -0.00860 58 7D+1 -0.00182 -0.03635 -0.04298 -0.00183 -0.02732 59 7D-1 0.02538 0.01647 0.02549 0.05865 0.01899 60 7D+2 -0.02832 0.04993 0.00812 0.06899 0.02017 61 7D-2 0.01533 -0.02565 -0.03139 -0.00811 -0.02522 62 8D 0 0.00907 -0.00932 0.00701 0.00549 -0.00140 63 8D+1 0.00256 -0.01301 -0.01457 -0.00045 -0.00483 64 8D-1 0.00790 0.00491 0.00770 0.01695 0.00643 65 8D+2 -0.00856 0.01639 0.00325 0.01885 0.00601 66 8D-2 0.00798 -0.00792 -0.00971 -0.00406 -0.00606 67 4 Cu 1S 0.00721 -0.00308 0.00136 -0.00586 0.00369 68 2S 0.22299 -0.10662 0.04768 -0.13082 -0.00334 69 3S -0.05707 0.07623 -0.03411 -0.28220 0.04358 70 4PX 0.02981 -0.00093 -0.02078 -0.02717 0.04330 71 4PY -0.01677 0.02470 -0.00580 0.02014 0.04128 72 4PZ 0.00013 0.01839 0.03915 -0.01417 0.01275 73 5PX -0.12217 0.00577 0.07043 0.10874 -0.14768 74 5PY 0.09660 -0.15580 0.05036 -0.00237 -0.05545 75 5PZ -0.00425 -0.05478 -0.13913 0.04777 -0.05235 76 6PX -0.10602 0.10017 -0.03531 0.13688 -0.05702 77 6PY 0.11084 0.32865 -0.15305 0.06131 0.07629 78 6PZ -0.03909 -0.00319 -0.02010 0.05250 -0.02586 79 7D 0 -0.02238 0.03789 0.00937 0.02957 -0.01746 80 7D+1 -0.00460 -0.00763 0.03716 -0.02299 0.00862 81 7D-1 -0.02912 -0.01659 0.02864 0.04108 0.01576 82 7D+2 0.00925 -0.01513 -0.01364 0.03111 -0.00209 83 7D-2 0.02067 -0.06754 0.02654 0.06870 0.03978 84 8D 0 -0.00955 0.01260 0.00242 0.00745 -0.00254 85 8D+1 0.00103 -0.00371 0.01201 -0.00675 0.00017 86 8D-1 -0.00879 -0.00548 0.00894 0.01148 0.00467 87 8D+2 0.00112 -0.00591 -0.00365 0.00695 -0.00045 88 8D-2 0.00888 -0.02193 0.00869 0.02017 0.01055 89 5 Cu 1S 0.00011 -0.00102 0.00992 0.00337 -0.00361 90 2S 0.00571 -0.02241 0.21940 0.02643 -0.01976 91 3S -0.00249 -0.01940 0.20233 0.20748 -0.05530 92 4PX -0.00260 -0.02710 -0.00737 -0.00211 0.01110 93 4PY 0.00135 -0.00497 -0.00788 0.02801 -0.04126 94 4PZ -0.00008 0.00819 -0.04152 0.02583 0.02252 95 5PX 0.00868 0.10754 0.04219 0.00310 -0.05070 96 5PY -0.00664 0.02413 -0.00501 -0.10506 0.18320 97 5PZ 0.00359 -0.03679 0.20110 -0.13225 -0.10968 98 6PX 0.02272 0.10121 0.01756 -0.00267 -0.06734 99 6PY 0.00462 0.01146 0.10794 -0.02764 0.25121 100 6PZ -0.00018 -0.03380 0.18980 -0.06475 -0.12795 101 7D 0 -0.00312 -0.00969 0.00201 -0.04629 0.00408 102 7D+1 0.01239 0.03655 0.00430 -0.00396 0.00073 103 7D-1 -0.00637 0.00752 0.01880 -0.01705 -0.00753 104 7D+2 -0.01711 0.01207 -0.02205 -0.02628 0.01418 105 7D-2 0.04146 -0.00840 -0.00833 -0.01384 0.00445 106 8D 0 -0.00133 -0.00315 0.00526 -0.01300 0.00235 107 8D+1 0.00483 0.01000 0.00232 -0.00082 0.00070 108 8D-1 -0.00149 0.00229 0.00529 -0.00587 -0.00203 109 8D+2 -0.00425 0.00398 -0.00574 -0.00808 0.00270 110 8D-2 0.01048 -0.00386 -0.00236 -0.00433 0.00071 111 6 Cu 1S 0.00012 -0.00001 -0.00001 0.01549 0.00164 112 2S 0.00159 0.00003 -0.00027 0.20004 -0.07564 113 3S 0.00524 0.00145 -0.00156 0.25387 -0.17039 114 4PX 0.04797 -0.04193 -0.00021 0.01605 0.01404 115 4PY 0.01004 -0.00987 0.00986 -0.06581 -0.05595 116 4PZ -0.00505 0.00210 0.04251 0.01454 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8D-2 -0.00116 0.00180 -0.00008 0.00162 -0.00920 23 2 Cu 1S 0.00241 -0.00327 0.00012 -0.00056 -0.00145 24 2S 0.06607 -0.10621 0.00465 -0.03505 -0.08085 25 3S 0.09226 -0.74626 0.02936 -0.66388 -0.44383 26 4PX -0.00870 0.00842 0.02938 -0.01016 -0.00503 27 4PY 0.01890 0.00037 0.01596 -0.00399 -0.00454 28 4PZ -0.02635 -0.00516 0.03986 0.00932 0.00828 29 5PX 0.06125 -0.03225 -0.13871 0.13316 0.04989 30 5PY -0.09709 -0.02070 -0.07461 0.01972 -0.00648 31 5PZ 0.11944 0.02433 -0.18617 -0.10876 -0.05283 32 6PX -0.01777 0.07924 -0.48194 0.71467 0.63123 33 6PY -0.33716 -0.84797 -0.23239 0.11147 0.65507 34 6PZ 0.68538 0.24295 -0.62405 -0.59596 -1.53736 35 7D 0 0.01492 0.01276 -0.02621 -0.00717 0.00160 36 7D+1 -0.01490 0.00602 0.00607 0.04581 0.02550 37 7D-1 0.00545 -0.00335 -0.00074 -0.00888 -0.02432 38 7D+2 -0.01933 0.00722 0.01151 -0.04144 0.00526 39 7D-2 0.01736 0.02218 0.01047 0.00037 0.00368 40 8D 0 0.00176 0.00411 -0.00148 -0.00090 0.00269 41 8D+1 -0.00227 0.00352 -0.00078 0.01128 0.00550 42 8D-1 -0.00043 -0.00040 0.00157 -0.00083 -0.00553 43 8D+2 -0.00418 0.00169 -0.00064 -0.00838 0.00082 44 8D-2 0.00123 0.00669 0.00128 0.00026 0.00616 45 3 Cu 1S -0.00094 -0.00262 0.00005 -0.00181 0.00006 46 2S 0.01195 0.05266 -0.00094 -0.00862 0.06373 47 3S 0.21694 1.47601 -0.02576 -0.14436 0.91480 48 4PX 0.02492 0.01104 0.00966 0.02403 -0.00449 49 4PY 0.00209 0.00903 0.00511 0.01092 -0.00975 50 4PZ 0.00789 -0.01164 0.01383 -0.02226 -0.03047 51 5PX -0.11518 -0.05361 -0.04896 -0.07508 -0.01716 52 5PY -0.01962 -0.04604 -0.02507 -0.06854 -0.02442 53 5PZ 0.01647 0.05732 -0.06731 0.08270 0.15876 54 6PX 0.19205 1.09163 -0.18656 -0.02639 -1.79665 55 6PY -0.86954 0.08611 -0.10036 -0.32571 2.30026 56 6PZ -0.02592 -0.86757 -0.19994 0.13800 1.03126 57 7D 0 0.02585 -0.02518 -0.03239 0.00379 -0.02634 58 7D+1 -0.04117 0.01399 0.01760 0.02939 -0.01956 59 7D-1 0.02903 0.01902 -0.02099 0.01039 -0.02218 60 7D+2 -0.00251 -0.01662 0.02975 -0.00612 -0.00189 61 7D-2 0.01585 -0.04835 0.00457 0.00124 -0.01143 62 8D 0 0.00966 -0.00823 -0.00455 -0.00133 -0.00933 63 8D+1 -0.01200 0.00199 0.00343 0.00417 -0.00846 64 8D-1 0.00669 0.00303 -0.00490 0.00262 -0.00363 65 8D+2 0.00070 -0.00667 0.00587 -0.00180 0.00132 66 8D-2 0.00126 -0.01401 -0.00009 -0.00334 -0.00374 67 4 Cu 1S -0.00072 -0.00265 0.00011 -0.00183 -0.00007 68 2S 0.00765 0.05285 -0.00037 -0.00891 -0.07033 69 3S 0.15128 1.47923 -0.02233 -0.14819 -1.00183 70 4PX -0.01807 -0.01621 0.00783 -0.03154 0.00374 71 4PY -0.00453 0.00320 -0.00162 -0.00070 0.00878 72 4PZ 0.01783 -0.00795 -0.01558 -0.01386 0.02718 73 5PX 0.09214 0.08060 -0.03883 0.11576 -0.08444 74 5PY 0.01839 -0.01640 0.00800 -0.02835 0.00996 75 5PZ -0.03293 0.03912 0.07709 0.05342 -0.13400 76 6PX 0.15079 -1.25380 -0.10294 0.17870 -1.05810 77 6PY -0.63984 -0.42942 0.04307 -0.30300 -3.04321 78 6PZ -0.07217 -0.49321 0.26592 0.11743 -0.56099 79 7D 0 0.00731 -0.01497 0.02057 0.01843 0.03516 80 7D+1 0.02926 -0.01643 0.02926 -0.02248 -0.01543 81 7D-1 0.04831 0.00186 0.03208 0.00077 0.01649 82 7D+2 0.00678 -0.05360 -0.01748 -0.01142 0.00520 83 7D-2 -0.00382 0.02078 -0.00997 -0.00761 -0.00259 84 8D 0 0.00425 -0.00666 0.00272 0.00093 0.01264 85 8D+1 0.01052 -0.00251 0.00448 -0.00373 -0.00470 86 8D-1 0.01133 -0.00077 0.00708 0.00032 0.00200 87 8D+2 0.00103 -0.01576 -0.00276 -0.00500 0.00063 88 8D-2 0.00155 0.00444 -0.00253 0.00071 -0.00382 89 5 Cu 1S -0.00417 -0.00328 0.00002 -0.00055 -0.00012 90 2S -0.11305 -0.10781 0.00096 -0.03714 -0.00538 91 3S -0.15129 -0.75887 0.01230 -0.67690 -0.02709 92 4PX 0.01076 0.00024 -0.05012 -0.00105 0.00365 93 4PY -0.04568 0.00143 -0.01035 -0.00669 0.00059 94 4PZ -0.00819 0.00949 0.00750 -0.01247 -0.00097 95 5PX -0.05884 0.00319 0.23504 0.01595 -0.02397 96 5PY 0.22690 -0.02351 0.04861 0.05223 -0.00599 97 5PZ 0.00359 -0.03506 -0.03614 0.16389 0.00779 98 6PX -0.15661 0.18042 0.78068 0.07561 -1.09612 99 6PY 0.94417 -0.81356 0.17118 0.30030 -0.16131 100 6PZ 0.58956 0.07914 -0.12102 0.90692 0.24033 101 7D 0 0.00451 -0.00607 0.00769 -0.05884 -0.00877 102 7D+1 0.00892 -0.00823 -0.02685 -0.01032 0.02803 103 7D-1 -0.02924 0.02013 -0.00405 -0.01529 0.01205 104 7D+2 0.00971 0.01222 0.00071 -0.01086 0.01957 105 7D-2 -0.00246 0.00819 -0.01231 -0.00674 -0.03401 106 8D 0 0.00177 -0.00336 0.00021 -0.01337 -0.00159 107 8D+1 0.00091 -0.00271 -0.00024 -0.00253 0.00443 108 8D-1 -0.00325 0.00542 0.00030 -0.00370 0.00215 109 8D+2 0.00440 0.00451 0.00099 -0.00065 0.00289 110 8D-2 0.00120 0.00278 -0.00247 -0.00077 -0.00451 111 6 Cu 1S 0.00004 -0.00682 0.00010 0.00306 -0.00001 112 2S 0.00144 -0.18386 0.00305 0.06682 0.00033 113 3S 0.00367 -0.48099 0.00928 0.58635 0.00048 114 4PX 0.00038 -0.00241 -0.00019 0.00051 -0.00113 115 4PY 0.01008 0.01007 -0.00032 -0.00213 -0.00023 116 4PZ 0.04437 -0.00195 0.00016 0.00034 0.00018 117 5PX -0.00178 -0.00134 0.00107 -0.00265 -0.02810 118 5PY -0.04954 0.00544 0.00031 0.01085 -0.00677 119 5PZ -0.21737 -0.00257 -0.00043 -0.00160 0.00239 120 6PX -0.00731 -0.25974 0.01315 -0.05604 -2.11063 121 6PY -0.21048 1.02352 -0.02076 0.18667 -0.47565 122 6PZ -0.88665 -0.25410 0.00186 -0.06163 0.20660 123 7D 0 -0.01570 0.01479 -0.00050 0.01764 0.01029 124 7D+1 -0.00570 -0.00294 -0.00012 -0.00371 -0.03948 125 7D-1 -0.01187 0.01186 -0.00048 0.01461 -0.01354 126 7D+2 0.01176 0.02479 -0.00079 0.03057 -0.03140 127 7D-2 0.00368 0.01288 -0.00038 0.01601 0.05154 128 8D 0 0.00004 0.00677 -0.00016 0.00338 0.00125 129 8D+1 0.00051 -0.00130 0.00001 -0.00068 -0.00518 130 8D-1 -0.00551 0.00535 -0.00016 0.00272 -0.00210 131 8D+2 0.00219 0.01139 -0.00030 0.00579 -0.00542 132 8D-2 0.00055 0.00586 -0.00010 0.00301 0.00956 133 7 Cu 1S 0.00177 -0.00329 -0.00002 -0.00057 0.00153 134 2S 0.04846 -0.10601 -0.00031 -0.03431 0.08679 135 3S 0.07116 -0.73726 0.00713 -0.66207 0.48745 136 4PX -0.00237 -0.00835 0.02084 0.01339 -0.00947 137 4PY 0.01333 -0.00350 -0.00523 0.00079 0.00203 138 4PZ -0.02586 -0.00431 -0.04747 0.00505 -0.00634 139 5PX -0.00103 0.04090 -0.09674 -0.15654 0.06255 140 5PY -0.07353 -0.00325 0.02512 -0.04042 0.03045 141 5PZ 0.12434 0.02186 0.22272 -0.06195 0.03737 142 6PX 0.18525 0.33772 -0.33700 -0.83361 1.38891 143 6PY -0.17556 -0.80188 0.08966 -0.21674 -0.28772 144 6PZ 0.59935 0.22848 0.75254 -0.34156 1.19952 145 7D 0 0.00625 0.01552 0.01853 0.01191 -0.01221 146 7D+1 0.01703 -0.00182 0.02142 -0.02524 0.01136 147 7D-1 0.02244 0.00025 0.00541 -0.01778 0.02679 148 7D+2 -0.00065 0.02011 -0.01191 -0.03595 -0.00405 149 7D-2 -0.01861 -0.01043 0.00151 -0.03925 0.01164 150 8D 0 0.00059 0.00556 0.00125 0.00386 -0.00504 151 8D+1 0.00328 -0.00201 0.00096 -0.00684 0.00206 152 8D-1 0.00227 -0.00004 -0.00184 -0.00343 0.00484 153 8D+2 -0.00137 0.00534 -0.00032 -0.00772 -0.00502 154 8D-2 -0.00290 -0.00358 0.00110 -0.00813 0.00627 155 8 Cu 1S 0.00168 -0.00259 0.00009 -0.00175 0.00006 156 2S -0.02038 0.05109 -0.00043 -0.00800 0.00517 157 3S -0.38815 1.45313 -0.02187 -0.13564 0.06642 158 4PX -0.00660 -0.00085 -0.01729 0.00082 -0.05112 159 4PY 0.00162 0.01190 -0.00394 0.01677 -0.01084 160 4PZ -0.02736 0.01396 0.00184 0.03009 0.00846 161 5PX 0.02415 0.00430 0.08475 0.00456 0.18641 162 5PY 0.03882 -0.05907 0.01925 -0.08922 0.03489 163 5PZ 0.17412 -0.06530 -0.00927 -0.09556 -0.03337 164 6PX -0.34501 0.11740 0.27693 0.05763 0.77502 165 6PY 1.36942 0.41768 0.05735 -0.29371 0.28910 166 6PZ -0.53154 1.27628 -0.06148 -0.08234 -0.27270 167 7D 0 -0.05271 -0.00646 0.01288 -0.02390 -0.00642 168 7D+1 -0.00037 0.01157 -0.04747 -0.00669 0.02852 169 7D-1 -0.02801 -0.05839 -0.01012 -0.01243 0.00649 170 7D+2 -0.01513 -0.01002 -0.01008 0.01506 0.00408 171 7D-2 -0.01405 -0.01386 0.00602 0.00511 -0.00356 172 8D 0 -0.01732 -0.00179 0.00219 -0.00297 -0.00184 173 8D+1 -0.00089 0.00376 -0.00803 0.00017 0.00924 174 8D-1 -0.00668 -0.01563 -0.00190 -0.00558 0.00139 175 8D+2 -0.00464 -0.00619 -0.00245 0.00101 -0.00032 176 8D-2 -0.00346 -0.00520 0.00294 -0.00033 0.00281 177 9 C 1S 0.00010 0.00044 0.00023 -0.01580 0.00015 178 2S -0.00038 0.00478 -0.00105 0.07649 -0.00040 179 3S -0.00028 -0.06097 0.00037 -0.00063 -0.00065 180 4PX 0.00121 0.00521 0.00222 -0.01726 0.12304 181 4PY 0.04347 -0.01923 -0.00032 0.06966 0.02706 182 4PZ 0.18901 0.00721 -0.00102 -0.01813 -0.01163 183 5PX 0.00076 0.02610 0.00084 0.02325 0.08681 184 5PY 0.03748 -0.10724 0.00261 -0.09626 0.01917 185 5PZ 0.16012 0.02542 -0.00139 0.02087 -0.00822 186 10 O 1S -0.00002 0.01981 -0.00012 -0.01947 -0.00011 187 2S 0.00005 -0.04926 0.00018 0.06056 0.00030 188 3S 0.00015 -0.14150 0.00143 0.08015 0.00066 189 4PX -0.00041 -0.00118 -0.00031 0.00495 -0.04026 190 4PY -0.01733 0.00455 0.00021 -0.02009 -0.00880 191 4PZ -0.07568 -0.00183 0.00011 0.00493 0.00373 192 5PX -0.00046 -0.00272 -0.00068 0.00631 -0.04833 193 5PY -0.01926 0.01060 0.00009 -0.02570 -0.01069 194 5PZ -0.08377 -0.00344 0.00033 0.00646 0.00460 101 102 103 104 105 V V V V V EIGENVALUES -- 0.03855 0.04170 0.04187 0.04860 0.05465 1 1 Cu 1S 0.00010 -0.00014 0.00004 0.00701 -0.00115 2 2S 0.00252 -0.00380 0.00114 0.20122 -0.04201 3 3S 0.01922 -0.05747 0.01825 1.88388 -0.87716 4 4PX 0.00015 0.00009 -0.00185 0.00093 0.00291 5 4PY 0.00198 0.00021 -0.00033 -0.00389 -0.01491 6 4PZ 0.00652 0.00201 0.00016 0.00114 0.00065 7 5PX -0.00166 -0.00180 0.00127 0.01575 -0.00591 8 5PY -0.01081 0.00553 -0.00115 -0.06240 0.03777 9 5PZ -0.04232 -0.00051 -0.00070 0.01371 0.00512 10 6PX 0.12853 -0.02891 -0.99130 -0.41351 0.44547 11 6PY 0.75068 0.17409 -0.21671 1.83637 -1.22980 12 6PZ 3.13347 1.08907 0.00978 -0.37225 0.74315 13 7D 0 0.02583 0.01159 -0.00330 -0.03534 0.01704 14 7D+1 0.01137 0.00542 0.00720 0.00688 -0.00249 15 7D-1 -0.00890 -0.00389 0.00061 -0.02867 0.01191 16 7D+2 -0.00959 -0.00288 -0.00265 -0.05965 0.02418 17 7D-2 -0.00480 -0.00056 0.00914 -0.03086 0.01226 18 8D 0 0.00767 0.00528 -0.00135 -0.01253 0.00707 19 8D+1 0.00374 0.00249 0.00255 0.00251 -0.00120 20 8D-1 -0.00582 -0.00317 0.00007 -0.01032 0.00530 21 8D+2 -0.00147 -0.00051 -0.00193 -0.02143 0.01116 22 8D-2 -0.00117 0.00002 0.00524 -0.01111 0.00570 23 2 Cu 1S 0.00085 0.00094 0.00109 -0.00367 -0.00184 24 2S 0.05020 0.05724 0.07246 -0.05522 -0.05523 25 3S 0.28552 0.62105 0.78139 -0.78223 -0.83327 26 4PX 0.00629 -0.00804 -0.00455 0.02279 0.01502 27 4PY 0.00513 -0.00251 0.00038 0.01240 -0.04871 28 4PZ -0.00238 0.00015 0.00802 -0.02223 0.00593 29 5PX -0.05202 0.00005 -0.02558 -0.09399 -0.04884 30 5PY -0.00929 0.03518 0.02865 -0.07798 0.21186 31 5PZ 0.01264 0.01917 -0.01497 0.10063 -0.03645 32 6PX -1.17574 -0.09503 -0.41175 -0.05872 0.23006 33 6PY -0.86201 0.56353 0.59343 -0.73671 -0.09258 34 6PZ -0.02634 0.19452 -0.21248 0.36217 -0.25327 35 7D 0 -0.00727 -0.01837 -0.01272 -0.01159 0.01413 36 7D+1 0.00586 -0.00352 0.01447 0.01050 -0.00358 37 7D-1 -0.02445 0.01879 -0.01348 0.00718 0.00097 38 7D+2 0.03130 -0.02680 -0.01107 -0.01338 0.02106 39 7D-2 -0.02172 -0.00608 -0.03423 -0.01981 0.02370 40 8D 0 -0.00326 -0.00523 -0.00535 -0.00060 0.00775 41 8D+1 -0.00010 -0.00308 -0.00078 0.00573 0.00016 42 8D-1 -0.00214 0.00352 -0.00126 0.00340 -0.00037 43 8D+2 0.00472 -0.00455 -0.00229 -0.00154 0.00804 44 8D-2 -0.00646 -0.00515 -0.01083 -0.00255 0.01217 45 3 Cu 1S 0.00005 -0.00102 -0.00135 -0.00196 -0.00093 46 2S -0.04035 -0.10172 -0.13618 -0.09943 0.03988 47 3S -0.57828 -1.34233 -1.78934 -0.41701 0.69873 48 4PX -0.03348 0.00792 -0.00185 -0.00791 -0.04216 49 4PY -0.01423 0.01643 0.01469 0.00272 0.03379 50 4PZ -0.02824 0.00115 -0.01640 0.00607 0.01623 51 5PX 0.14437 -0.04024 0.07429 0.08730 0.22600 52 5PY 0.09046 -0.05267 -0.00318 -0.12339 -0.23835 53 5PZ 0.07290 -0.08946 0.05859 -0.02154 -0.06271 54 6PX 1.76754 -0.12664 0.45503 1.34635 -0.00595 55 6PY -1.14100 -0.87032 -0.73157 0.09251 -0.71326 56 6PZ 0.11292 -0.27550 0.54109 -1.10104 0.25159 57 7D 0 -0.00490 -0.03013 0.01931 0.01009 -0.00534 58 7D+1 0.02430 0.00960 -0.00367 -0.01254 -0.01219 59 7D-1 0.00128 -0.01665 -0.01896 0.03369 0.00638 60 7D+2 0.02234 -0.00181 -0.02799 0.04364 0.00636 61 7D-2 0.00954 0.02046 0.00263 -0.00888 -0.01024 62 8D 0 -0.00332 -0.00676 0.00830 0.00607 -0.00361 63 8D+1 0.00804 0.00725 0.00373 -0.00054 -0.00500 64 8D-1 0.00134 -0.00432 -0.00268 0.00567 0.00078 65 8D+2 0.00416 0.00096 -0.00771 0.01043 -0.00035 66 8D-2 0.00597 0.00746 0.00409 0.00481 -0.00587 67 4 Cu 1S 0.00008 -0.00074 0.00151 -0.00199 -0.00091 68 2S -0.03339 -0.06646 0.15481 -0.09918 0.04168 69 3S -0.48439 -0.87461 2.03856 -0.40883 0.72236 70 4PX 0.02656 -0.01083 0.01172 0.00761 0.02843 71 4PY -0.00228 0.00850 -0.01584 0.00586 0.04854 72 4PZ -0.04062 0.00732 0.01367 0.00332 0.00604 73 5PX -0.13354 0.04251 0.03779 -0.03275 -0.12181 74 5PY 0.02916 -0.03086 0.03710 -0.14740 -0.31029 75 5PZ 0.13186 -0.11296 -0.05073 -0.00136 -0.01246 76 6PX -0.95461 0.38418 -0.13490 -1.54200 0.32736 77 6PY -1.43777 -0.49564 0.96937 -0.52888 -0.74251 78 6PZ 0.61577 -0.46953 -0.49907 -0.62034 0.18808 79 7D 0 0.00551 -0.02540 -0.00554 0.00899 -0.00976 80 7D+1 -0.02596 -0.02363 -0.01968 -0.00572 0.00423 81 7D-1 -0.01146 -0.01398 0.01215 0.02558 0.00542 82 7D+2 0.01451 0.01458 0.00839 0.01975 -0.00171 83 7D-2 0.00564 -0.01441 0.02905 0.04671 0.01440 84 8D 0 0.00019 -0.00469 -0.00740 0.00639 -0.00572 85 8D+1 -0.00956 -0.00903 -0.00110 -0.00183 0.00276 86 8D-1 -0.00157 -0.00523 0.00203 0.00518 0.00072 87 8D+2 0.00457 0.00492 0.00098 0.00976 -0.00358 88 8D-2 -0.00173 -0.00413 0.01033 0.00584 0.00448 89 5 Cu 1S -0.00167 -0.00142 0.00016 -0.00363 -0.00175 90 2S -0.09317 -0.09360 0.01030 -0.05453 -0.05631 91 3S -0.51417 -0.99159 0.11466 -0.79384 -0.89324 92 4PX -0.00005 0.00193 0.00643 0.00041 0.01189 93 4PY -0.00806 0.00240 0.00117 0.01856 -0.04536 94 4PZ -0.00949 0.00960 -0.00219 0.02883 0.01824 95 5PX 0.01164 0.00662 -0.03299 0.00333 -0.04999 96 5PY 0.01295 -0.03844 -0.00206 -0.10366 0.20246 97 5PZ 0.08278 0.02431 0.00210 -0.11813 -0.05860 98 6PX 0.00441 0.17894 -0.39075 0.13531 -0.00423 99 6PY 1.37252 -0.73850 0.00347 -0.83248 0.22604 100 6PZ 1.47410 0.43373 0.00682 -0.15817 0.43001 101 7D 0 -0.02457 0.01364 -0.00444 -0.00887 0.00683 102 7D+1 -0.00983 -0.00671 0.01011 0.00429 -0.00521 103 7D-1 0.00696 0.03644 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162 5PY -0.09581 0.03229 0.02577 -0.10432 -0.21121 163 5PZ -0.11255 -0.04210 -0.01596 0.10300 0.25338 164 6PX -0.90835 -0.21284 0.74286 0.17183 0.02347 165 6PY 2.10225 1.14008 0.01789 0.45061 -0.41886 166 6PZ -2.80751 -0.33168 -0.05572 1.69706 -0.37723 167 7D 0 0.01632 0.02228 0.00737 0.04011 0.01787 168 7D+1 0.00928 0.00150 -0.03747 0.00646 0.00692 169 7D-1 0.00006 -0.01910 -0.00352 -0.01140 -0.00790 170 7D+2 -0.03794 0.02092 -0.00193 0.03809 -0.00037 171 7D-2 -0.01646 0.00432 -0.01691 0.01478 -0.00144 172 8D 0 0.00896 0.01139 0.00180 0.00587 0.00512 173 8D+1 0.00382 0.00280 -0.01200 -0.00125 0.00292 174 8D-1 -0.00125 -0.00646 -0.00127 0.00387 -0.00434 175 8D+2 -0.00980 -0.00009 -0.00060 0.01103 -0.00353 176 8D-2 -0.00469 -0.00144 -0.00301 0.00552 -0.00225 177 9 C 1S 0.00048 -0.00044 0.00012 0.03357 -0.02013 178 2S -0.00097 0.00031 -0.00006 -0.06342 0.05344 179 3S -0.00317 0.00488 -0.00130 -0.33098 0.07205 180 4PX 0.00477 0.00199 0.07566 0.01165 -0.00606 181 4PY 0.02981 -0.01584 0.01816 -0.05199 0.01102 182 4PZ 0.12599 -0.06920 -0.00161 0.00919 -0.01224 183 5PX 0.00359 0.00035 0.05222 0.02406 -0.02891 184 5PY 0.02086 -0.00631 0.01129 -0.10337 0.10257 185 5PZ 0.08907 -0.04851 -0.00065 0.02086 -0.03475 186 10 O 1S -0.00055 0.00081 -0.00022 -0.00929 0.02303 187 2S 0.00154 -0.00243 0.00066 0.02822 -0.06988 188 3S 0.00324 -0.00360 0.00098 0.04814 -0.09344 189 4PX -0.00191 0.00059 0.03107 -0.01052 0.00093 190 4PY -0.00908 -0.00757 0.00736 0.04300 0.00292 191 4PZ -0.03984 -0.03327 -0.00125 -0.01042 0.00442 192 5PX -0.00199 -0.00030 -0.00148 -0.00630 -0.00282 193 5PY -0.01162 0.00028 -0.00057 0.02673 0.01836 194 5PZ -0.04867 -0.00121 -0.00023 -0.00579 0.00043 106 107 108 109 110 V V V V V EIGENVALUES -- 0.05741 0.05766 0.06813 0.06844 0.07373 1 1 Cu 1S 0.00006 0.00002 -0.00001 -0.00001 0.00005 2 2S 0.00113 -0.00013 -0.00046 -0.00024 -0.00101 3 3S 0.02111 -0.00023 0.00193 -0.00288 0.01646 4 4PX 0.00231 -0.04745 0.00367 -0.05071 0.01199 5 4PY -0.00905 -0.01121 -0.01082 -0.01263 0.00367 6 4PZ -0.04713 -0.00013 -0.05213 -0.00095 0.00069 7 5PX -0.01352 0.24593 -0.02651 0.38699 -0.08788 8 5PY 0.04911 0.05965 0.07859 0.09526 -0.03458 9 5PZ 0.24418 0.00112 0.39550 0.00729 -0.00358 10 6PX -0.37321 7.39752 0.23950 -4.28247 -0.20943 11 6PY 1.70954 1.81429 -0.85295 -1.04474 0.05890 12 6PZ 7.61579 -0.06640 -4.31071 -0.02617 -0.12256 13 7D 0 0.03299 0.01116 -0.01333 -0.01437 -0.00055 14 7D+1 0.01769 -0.02284 -0.00546 0.04486 -0.00330 15 7D-1 -0.01368 -0.00299 -0.05240 0.00649 -0.00001 16 7D+2 -0.01270 0.00766 0.02710 0.02565 -0.00879 17 7D-2 -0.00297 -0.03154 0.01067 -0.02851 0.01719 18 8D 0 0.00643 0.00180 0.00074 -0.00152 -0.00039 19 8D+1 0.00369 -0.00297 0.00069 0.00624 -0.00138 20 8D-1 -0.00525 -0.00036 -0.01148 0.00092 -0.00013 21 8D+2 -0.00184 0.00269 0.00412 0.00568 -0.00387 22 8D-2 -0.00030 -0.00809 0.00187 -0.00863 0.00698 23 2 Cu 1S -0.00085 0.00121 -0.00184 0.00220 -0.00170 24 2S 0.00792 -0.00399 0.03711 -0.04650 -0.00535 25 3S 0.57079 -0.59177 1.23388 -1.54659 0.53953 26 4PX -0.03203 0.00744 -0.02895 0.05579 -0.00494 27 4PY -0.01557 0.00709 0.02676 -0.02192 0.02183 28 4PZ -0.00508 -0.03598 0.03483 -0.01351 -0.00214 29 5PX 0.14688 -0.01172 0.11309 -0.25788 -0.03174 30 5PY 0.06476 -0.01025 -0.12445 0.08798 -0.04957 31 5PZ 0.05641 0.16338 -0.17502 0.04319 0.03374 32 6PX -1.05480 -0.00200 0.09018 0.04868 -1.11886 33 6PY -1.82540 1.58982 1.65885 -2.00950 -1.25899 34 6PZ 0.07498 -1.77989 -0.50570 0.91127 0.60677 35 7D 0 -0.02884 -0.04098 -0.01951 0.00344 0.00432 36 7D+1 -0.00200 0.01824 -0.00231 0.01281 -0.01180 37 7D-1 0.00420 -0.00682 -0.00466 -0.00676 -0.00257 38 7D+2 0.03198 -0.01192 0.00531 0.01312 0.02405 39 7D-2 0.02305 0.00088 -0.01406 0.02050 -0.00822 40 8D 0 -0.00573 -0.00675 -0.00523 0.00206 -0.00286 41 8D+1 -0.00215 0.00605 -0.00733 0.00994 -0.00400 42 8D-1 -0.00104 -0.00045 -0.00036 -0.00031 0.00125 43 8D+2 0.00606 -0.00179 0.00300 -0.00102 0.00252 44 8D-2 0.00318 -0.00027 -0.00425 0.00695 -0.00796 45 3 Cu 1S 0.00026 -0.00022 -0.00308 0.00380 0.00233 46 2S 0.04949 -0.06723 -0.03514 0.04527 -0.05682 47 3S 0.77291 -1.06602 0.00982 0.03813 -1.35338 48 4PX -0.01273 0.00419 0.01981 -0.01388 -0.00195 49 4PY -0.01694 0.01026 -0.03249 0.04524 -0.01524 50 4PZ -0.00129 -0.02079 0.01070 0.00222 -0.00277 51 5PX 0.03019 0.04846 -0.12931 0.13881 0.07203 52 5PY 0.11689 -0.07020 0.18662 -0.23955 0.15391 53 5PZ 0.05118 0.08573 -0.00240 -0.02714 0.00615 54 6PX 1.76750 -2.99290 -2.16756 3.19662 2.13860 55 6PY -3.01251 3.37920 3.02070 -3.50702 2.53234 56 6PZ -1.01364 0.16608 0.91755 -0.55279 -1.08182 57 7D 0 -0.01644 -0.00765 -0.01079 -0.00724 -0.00134 58 7D+1 0.00026 -0.01664 -0.00529 -0.00509 -0.00141 59 7D-1 0.01101 0.02731 0.01479 0.01208 0.00408 60 7D+2 -0.02623 0.00929 -0.00943 -0.00574 -0.01866 61 7D-2 0.02027 0.01080 0.01048 0.01109 -0.03089 62 8D 0 -0.00019 0.00174 0.00076 -0.00001 0.00550 63 8D+1 -0.00253 -0.00170 -0.00478 0.00051 0.00337 64 8D-1 0.00275 0.00555 0.00405 0.00438 -0.00057 65 8D+2 -0.00589 -0.00045 -0.00277 -0.00479 -0.00333 66 8D-2 0.00213 0.00241 0.00280 0.00102 -0.00091 67 4 Cu 1S 0.00017 0.00031 -0.00173 -0.00462 -0.00297 68 2S 0.02949 0.07792 -0.02055 -0.05380 0.07164 69 3S 0.45867 1.22232 -0.00941 -0.02164 1.70830 70 4PX 0.01281 0.01752 -0.00355 0.00462 -0.00565 71 4PY -0.00764 -0.01063 -0.01975 -0.05638 0.01604 72 4PZ -0.01067 0.01609 0.01289 0.00317 0.00024 73 5PX -0.05234 -0.02347 0.02683 0.04349 0.12136 74 5PY 0.06615 0.11278 0.12017 0.33132 -0.13851 75 5PZ 0.08711 -0.07226 -0.02373 -0.00539 0.01584 76 6PX -0.22534 -1.43135 0.43265 1.79243 3.54587 77 6PY -2.20583 -5.01140 2.09684 5.43077 -1.65748 78 6PZ -0.75279 0.25994 0.47292 -0.01954 1.13393 79 7D 0 -0.01662 0.00580 -0.01308 0.00345 0.01153 80 7D+1 -0.01053 0.00188 -0.00698 0.00197 -0.00058 81 7D-1 0.02540 -0.02387 0.02209 -0.00859 0.00184 82 7D+2 -0.00155 -0.01340 0.00048 -0.00255 0.03872 83 7D-2 -0.02567 -0.01736 -0.01105 0.00412 -0.00939 84 8D 0 -0.00108 -0.00170 -0.00115 -0.00084 -0.00512 85 8D+1 0.00161 0.00065 0.00218 0.00179 0.00167 86 8D-1 0.00646 -0.00454 0.00771 -0.00238 0.00096 87 8D+2 -0.00192 -0.00145 -0.00040 0.00330 0.00254 88 8D-2 -0.00428 -0.00126 -0.00282 0.00223 0.00304 89 5 Cu 1S 0.00153 0.00028 0.00276 0.00047 -0.00050 90 2S -0.00287 -0.00057 -0.05903 -0.00975 -0.00179 91 3S -0.71994 -0.11466 -1.96176 -0.33355 0.12867 92 4PX 0.00398 -0.03293 0.01139 0.02496 0.00126 93 4PY 0.02655 -0.00300 -0.02213 0.00108 0.00553 94 4PZ 0.02943 0.00926 0.07272 0.00856 -0.00215 95 5PX -0.02545 0.18057 -0.04434 -0.14402 -0.00583 96 5PY -0.09500 0.02251 0.09525 -0.01210 -0.01475 97 5PZ -0.11447 -0.04351 -0.32085 -0.03241 -0.00639 98 6PX -0.22172 -1.39545 0.49271 0.29102 -0.76508 99 6PY 2.69332 0.07607 -2.71860 -0.39037 -0.56348 100 6PZ 0.89587 0.32029 -0.18338 -0.06141 -0.15793 101 7D 0 -0.02379 -0.01583 -0.01004 -0.00644 0.00444 102 7D+1 -0.00576 0.04789 -0.01268 0.01659 0.00755 103 7D-1 -0.02042 0.00395 0.02007 0.00782 0.00490 104 7D+2 -0.02179 -0.00584 0.01431 0.00642 0.00968 105 7D-2 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-0.00216 125 7D-1 -0.02458 0.00051 -0.02213 -0.00065 0.00020 126 7D+2 0.00250 0.01316 -0.00241 0.01148 -0.01481 127 7D-2 0.00223 -0.02858 0.00114 -0.03082 0.03103 128 8D 0 0.00737 0.00210 0.00840 0.00203 0.00036 129 8D+1 0.00382 -0.00305 0.00476 -0.00187 -0.00125 130 8D-1 -0.00602 -0.00020 -0.00957 -0.00011 -0.00015 131 8D+2 -0.00056 0.00353 -0.00025 0.00491 -0.00077 132 8D-2 0.00034 -0.00925 0.00065 -0.01220 0.00077 133 7 Cu 1S -0.00042 -0.00141 -0.00102 -0.00271 0.00192 134 2S 0.00503 0.00764 0.02068 0.05541 0.00534 135 3S 0.32950 0.77716 0.67566 1.85473 -0.73925 136 4PX 0.02566 0.02815 0.00872 0.04945 0.00498 137 4PY -0.00191 -0.00063 0.02231 0.05269 -0.02735 138 4PZ -0.02336 0.02637 0.02558 0.00717 0.00393 139 5PX -0.11627 -0.09712 -0.02678 -0.22354 -0.06962 140 5PY 0.00527 -0.00753 -0.10089 -0.22942 0.03614 141 5PZ 0.13778 -0.11699 -0.14193 -0.02056 -0.03045 142 6PX 1.27535 1.54105 -0.53270 -1.23407 -1.85491 143 6PY -0.82539 -1.62866 0.83234 2.17604 0.73966 144 6PZ -0.78344 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4 Cu 1S 0.00103 -0.00009 -0.00144 0.00046 -0.00082 68 2S -0.02541 0.01497 -0.00283 0.00138 -0.00746 69 3S -0.60850 0.05692 0.73945 -0.21922 -0.26427 70 4PX -0.00382 0.03398 -0.00895 0.00704 0.00806 71 4PY -0.00392 0.00048 -0.00974 0.00150 -0.00056 72 4PZ 0.01108 0.01520 -0.00595 -0.01070 0.00312 73 5PX 0.02099 -0.18269 0.05337 -0.03014 -0.05606 74 5PY 0.03338 -0.04571 -0.08260 0.03322 0.00165 75 5PZ -0.13984 -0.08071 0.03874 0.03474 0.00261 76 6PX -0.40907 -1.43238 -2.87792 -1.43369 -0.23285 77 6PY 0.40408 -0.25973 -2.53953 1.45725 -3.80777 78 6PZ -2.11764 -0.55500 0.76412 5.27677 0.76208 79 7D 0 -0.01971 -0.01726 -0.00094 0.02405 -0.01540 80 7D+1 -0.01923 0.02136 0.02025 0.01873 -0.01324 81 7D-1 -0.00455 0.00223 -0.01413 0.00505 -0.03356 82 7D+2 -0.00335 0.01192 -0.00135 -0.01335 -0.01250 83 7D-2 0.00221 0.01172 -0.02753 0.01198 -0.00985 84 8D 0 -0.00380 -0.00525 0.00006 0.00085 -0.00327 85 8D+1 -0.00690 0.00765 0.00270 -0.00004 -0.00242 86 8D-1 -0.00033 -0.00222 -0.00408 0.00190 -0.00884 87 8D+2 0.00222 0.00442 0.00121 -0.00104 -0.00511 88 8D-2 -0.00179 -0.00317 -0.00992 0.00305 -0.00132 89 5 Cu 1S 0.00228 -0.00350 -0.00428 0.00135 0.00148 90 2S 0.00830 -0.00303 -0.05455 0.01704 0.11787 91 3S -0.67447 -0.82698 -1.69636 0.57216 3.49416 92 4PX 0.00702 0.00189 0.00103 0.00271 -0.00421 93 4PY -0.02579 -0.00275 0.00039 0.00063 0.04654 94 4PZ 0.00810 0.00902 -0.00028 -0.00073 0.05041 95 5PX -0.00839 0.00365 0.01790 -0.01460 0.01767 96 5PY 0.06673 0.02383 -0.06957 0.01846 -0.30652 97 5PZ 0.04548 0.05771 0.05636 -0.01810 -0.40197 98 6PX -0.32284 0.57212 -0.42275 -1.88308 -0.06216 99 6PY 1.82252 -2.77436 -1.41360 0.13438 1.21621 100 6PZ 1.42478 0.16169 -0.91430 0.59322 1.72362 101 7D 0 -0.03149 0.00724 0.03118 -0.01342 -0.03645 102 7D+1 -0.00483 -0.00088 0.01756 0.00794 -0.00981 103 7D-1 -0.00282 0.01583 -0.00114 0.00761 0.00217 104 7D+2 -0.00656 -0.00243 -0.02673 0.02177 0.00406 105 7D-2 -0.00745 0.00068 -0.02153 -0.02051 0.00358 106 8D 0 -0.00835 0.00174 0.00292 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0.00033 146 7D+1 0.00144 0.01043 0.02916 -0.00999 0.01597 147 7D-1 0.02141 -0.00049 -0.00948 -0.02774 0.00015 148 7D+2 0.00377 0.01433 -0.00382 0.00426 0.00007 149 7D-2 -0.00036 -0.00200 0.01904 0.00741 0.01468 150 8D 0 -0.00297 0.00012 -0.00049 0.00040 0.00207 151 8D+1 0.00036 -0.00073 0.00177 -0.00071 0.00322 152 8D-1 0.00325 0.00141 0.00012 -0.00254 0.00244 153 8D+2 -0.00158 -0.00009 0.00290 -0.00050 0.00130 154 8D-2 0.00164 0.00309 0.00174 0.00044 0.00109 155 8 Cu 1S -0.00304 -0.00023 -0.00153 0.00047 0.00194 156 2S 0.07310 0.02057 0.00043 0.00020 0.01716 157 3S 1.75319 0.19237 0.81835 -0.24825 0.64193 158 4PX -0.00586 -0.00124 -0.00072 -0.01271 0.00019 159 4PY 0.01631 -0.01820 -0.00353 -0.00109 0.01190 160 4PZ -0.00164 -0.03282 0.01349 -0.00120 0.01689 161 5PX 0.05427 0.01624 0.02989 0.03830 -0.00146 162 5PY -0.17134 0.05624 -0.10216 0.04001 -0.07205 163 5PZ -0.05106 0.19407 -0.01286 -0.00992 -0.09983 164 6PX 0.60017 0.18953 2.29851 5.13508 -2.12965 165 6PY -3.17925 0.43799 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5PZ 0.06552 0.07836 0.03507 -0.01317 -0.07348 186 10 O 1S 0.00098 -0.03421 -0.00690 0.00310 -0.00011 187 2S -0.00325 0.10994 0.02577 -0.01108 0.00043 188 3S -0.00227 0.11135 -0.00888 -0.00060 -0.00048 189 4PX -0.00227 0.00463 0.00641 -0.00300 0.00374 190 4PY 0.00585 -0.01766 -0.02793 0.00849 0.02317 191 4PZ 0.02163 0.00377 0.00591 -0.00127 0.10075 192 5PX -0.00002 0.01638 0.00849 -0.00347 0.00342 193 5PY 0.00087 -0.06821 -0.03714 0.01281 0.01815 194 5PZ -0.00987 0.01495 0.00757 -0.00238 0.08009 116 117 118 119 120 V V V V V EIGENVALUES -- 0.09234 0.11232 0.11381 0.11951 0.11958 1 1 Cu 1S 0.00002 -0.00035 -0.00667 0.00024 0.00009 2 2S 0.00008 -0.00802 -0.14039 0.00381 0.00090 3 3S -0.00573 -0.03592 -0.65115 -0.01378 -0.01995 4 4PX 0.05165 0.00047 0.01021 0.00379 -0.02280 5 4PY 0.01163 -0.00239 -0.04283 -0.00300 -0.00568 6 4PZ -0.00459 0.00063 0.00899 -0.02435 -0.00340 7 5PX -0.23466 -0.00725 -0.05559 -0.01563 0.09675 8 5PY -0.05226 0.01077 0.23356 0.01542 0.02600 9 5PZ 0.01998 -0.00079 -0.05018 0.11029 0.01432 10 6PX 0.44157 0.07395 -0.70769 -1.20191 5.83140 11 6PY 0.09422 0.19440 3.07759 0.75101 1.51921 12 6PZ 0.03831 -0.08351 -0.46445 5.60032 0.91462 13 7D 0 0.02235 0.00400 0.06591 -0.04336 -0.02158 14 7D+1 -0.07252 0.00063 -0.01394 -0.02543 0.02670 15 7D-1 -0.01295 0.00313 0.05579 0.01469 0.00533 16 7D+2 -0.01119 0.00596 0.11232 0.01087 -0.01001 17 7D-2 -0.00888 0.00442 0.05854 -0.00531 0.03976 18 8D 0 0.00583 0.00133 0.02189 -0.00858 -0.00389 19 8D+1 -0.01885 0.00013 -0.00455 -0.00471 0.00362 20 8D-1 -0.00312 0.00103 0.01837 0.00533 0.00111 21 8D+2 -0.00198 0.00201 0.03714 0.00068 -0.00354 22 8D-2 -0.00436 0.00144 0.01935 -0.00206 0.00954 23 2 Cu 1S -0.00129 -0.00001 -0.00138 -0.00415 0.00391 24 2S -0.09847 -0.00100 0.01540 0.00675 -0.00350 25 3S -2.88528 -0.03020 0.78607 1.76574 -1.48536 26 4PX -0.04233 -0.04809 -0.02783 -0.00938 0.04089 27 4PY -0.03502 -0.02562 -0.02618 -0.01009 0.02577 28 4PZ 0.02504 -0.06128 0.03820 0.04472 -0.00323 29 5PX 0.32462 0.39360 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-0.00722 -0.00682 0.04775 0.02834 0.00503 50 4PZ 0.01152 -0.02404 -0.04190 0.03041 0.05592 51 5PX 0.05355 0.13015 -0.29865 -0.35319 -0.17970 52 5PY 0.04002 0.06668 -0.27169 -0.18911 -0.09088 53 5PZ -0.07811 0.20927 0.28283 -0.23986 -0.48857 54 6PX 2.94724 -0.26407 0.94506 1.42982 -1.13255 55 6PY -6.46196 -0.21152 0.85928 0.31388 0.28481 56 6PZ 0.13686 -0.46959 -0.97609 -0.64321 1.42746 57 7D 0 -0.01114 0.02496 -0.01124 -0.00601 0.02338 58 7D+1 0.00824 -0.01874 0.03292 0.00677 0.00125 59 7D-1 -0.01329 0.02759 -0.00252 -0.02920 0.00418 60 7D+2 -0.05644 -0.03274 -0.02835 -0.02222 0.03455 61 7D-2 -0.01147 0.00270 -0.01326 -0.01761 -0.00217 62 8D 0 -0.00505 0.00588 -0.00250 0.00056 0.00650 63 8D+1 0.00238 -0.00478 0.00856 -0.00191 0.00246 64 8D-1 -0.00206 0.00763 0.00136 -0.00771 0.00291 65 8D+2 -0.01458 -0.00849 -0.00543 -0.00512 0.00584 66 8D-2 -0.00476 0.00105 -0.00437 -0.00241 -0.00232 67 4 Cu 1S 0.00176 0.00015 0.00343 -0.00067 -0.00158 68 2S 0.01648 0.00044 0.00900 -0.00142 0.00173 69 3S 0.58124 -0.02678 -0.80507 0.13651 0.61469 70 4PX -0.01676 -0.01499 -0.06272 -0.03223 -0.01162 71 4PY 0.00183 0.00480 0.02610 0.01015 0.00955 72 4PZ -0.00765 0.02366 -0.02943 0.06837 -0.02729 73 5PX 0.09431 0.12709 0.43647 0.28898 0.13583 74 5PY -0.01157 -0.03529 -0.11300 -0.05811 0.00798 75 5PZ 0.05679 -0.21487 0.19671 -0.58004 0.24004 76 6PX 0.03712 -0.32971 -1.41021 -0.56729 -1.92263 77 6PY 7.54521 0.13648 0.33076 0.27629 -0.99300 78 6PZ -0.65668 0.46745 -0.69348 0.41691 -0.94215 79 7D 0 0.01363 -0.01367 0.00458 0.00681 -0.02356 80 7D+1 -0.00593 -0.02499 -0.01794 0.00869 0.00555 81 7D-1 0.01278 -0.04020 -0.00931 -0.02559 -0.01524 82 7D+2 0.04673 0.01378 -0.03717 -0.00789 -0.03121 83 7D-2 0.03912 0.01266 -0.01936 0.00474 -0.02941 84 8D 0 0.00512 -0.00301 0.00181 0.00275 -0.00698 85 8D+1 -0.00015 -0.00608 -0.00556 0.00440 0.00416 86 8D-1 0.00285 -0.01078 -0.00111 -0.00460 -0.00398 87 8D+2 0.01396 0.00340 -0.00937 -0.00178 -0.00320 88 8D-2 0.00859 0.00363 -0.00257 0.00043 -0.00686 89 5 Cu 1S -0.00009 -0.00007 -0.00128 0.00548 0.00158 90 2S -0.00687 0.00161 0.01190 -0.00900 -0.00182 91 3S -0.18917 0.06134 0.63531 -2.30428 -0.61225 92 4PX -0.02845 0.08092 -0.00325 -0.00955 0.03263 93 4PY -0.00861 0.01422 -0.03607 0.03435 0.01664 94 4PZ 0.00123 -0.01417 -0.03784 0.04555 0.00856 95 5PX 0.19287 -0.67065 0.01636 0.12355 -0.33917 96 5PY 0.05907 -0.11698 0.32075 -0.29522 -0.15532 97 5PZ -0.00712 0.11527 0.26837 -0.25282 -0.02711 98 6PX -1.24865 1.06323 0.11210 0.04972 -1.50675 99 6PY -0.30858 0.12395 -1.41175 2.24027 0.41588 100 6PZ 0.08731 -0.19561 -0.80016 0.35777 0.37340 101 7D 0 -0.00003 0.00034 -0.02331 0.03046 0.00770 102 7D+1 0.00922 -0.00780 -0.00948 0.01135 0.01026 103 7D-1 -0.00001 -0.00080 0.03025 -0.01032 -0.00813 104 7D+2 -0.00348 -0.00494 -0.01701 -0.01067 -0.02082 105 7D-2 0.01020 0.00728 -0.00265 -0.02105 0.03694 106 8D 0 -0.00046 0.00138 -0.00498 -0.00083 -0.00018 107 8D+1 0.00357 -0.00651 -0.00061 -0.00094 0.00061 108 8D-1 0.00081 -0.00147 0.00442 0.00022 -0.00078 109 8D+2 0.00055 -0.00243 -0.00774 0.00301 -0.00160 110 8D-2 0.00043 0.00208 -0.00282 -0.00061 0.00581 111 6 Cu 1S -0.00001 -0.00004 -0.00051 -0.00009 -0.00005 112 2S -0.00052 0.00105 0.02042 -0.00197 -0.00113 113 3S -0.02268 0.01948 0.40039 -0.10120 -0.06546 114 4PX 0.02509 -0.00065 0.00751 0.00808 -0.04332 115 4PY 0.00562 -0.00203 -0.03186 -0.00689 -0.01150 116 4PZ -0.00236 0.00094 0.00532 -0.04533 -0.00648 117 5PX -0.17571 0.00684 -0.07125 -0.08461 0.45044 118 5PY -0.03806 0.01908 0.30129 0.07949 0.12402 119 5PZ 0.01638 -0.00915 -0.05028 0.47244 0.06561 120 6PX 3.76992 0.03439 0.27151 0.13838 -0.58386 121 6PY 0.83077 -0.06316 -1.12237 -0.01651 -0.15668 122 6PZ -0.37481 0.00693 0.25727 -0.33643 -0.08271 123 7D 0 0.00244 0.00110 0.01906 -0.00661 -0.00972 124 7D+1 -0.00717 -0.00002 -0.00387 -0.00651 0.02519 125 7D-1 -0.00090 0.00098 0.01512 -0.02973 -0.00039 126 7D+2 0.00054 0.00194 0.03441 0.01098 0.01642 127 7D-2 -0.00520 0.00093 0.01757 0.00711 -0.01674 128 8D 0 -0.00032 0.00029 0.00541 0.00064 -0.00190 129 8D+1 0.00095 0.00006 -0.00108 -0.00042 0.00696 130 8D-1 0.00007 0.00035 0.00417 -0.01173 -0.00036 131 8D+2 -0.00017 0.00058 0.00961 0.00346 0.00641 132 8D-2 0.00090 0.00017 0.00492 0.00278 -0.00832 133 7 Cu 1S 0.00138 -0.00008 -0.00139 -0.00141 -0.00560 134 2S 0.10594 0.00273 0.01529 0.00275 0.00583 135 3S 3.11164 0.09518 0.78602 0.64959 2.20083 136 4PX -0.06042 -0.02967 0.04933 -0.00479 0.05245 137 4PY 0.01437 0.00668 -0.01172 0.00106 -0.00723 138 4PZ -0.01422 0.07561 0.01865 0.04003 0.01275 139 5PX 0.44737 0.24477 -0.37698 0.10194 -0.34066 140 5PY -0.06501 -0.05335 0.14231 0.00837 0.13875 141 5PZ 0.11056 -0.62167 -0.14675 -0.39423 -0.05279 142 6PX -2.01302 -0.38331 1.35070 0.71244 1.19630 143 6PY 0.26732 0.03222 -0.91152 -0.45681 -1.64296 144 6PZ -0.25312 1.08297 0.58328 -1.11379 1.05848 145 7D 0 0.01973 0.00151 0.00318 -0.01600 0.03027 146 7D+1 -0.01271 0.00281 0.00783 -0.01990 -0.01423 147 7D-1 -0.00906 0.00846 -0.01532 0.02959 -0.01091 148 7D+2 -0.00916 -0.00137 0.01083 0.00765 0.00354 149 7D-2 -0.02221 -0.00640 -0.03968 -0.02054 -0.01787 150 8D 0 0.00063 0.00211 -0.00317 -0.00357 -0.00126 151 8D+1 -0.00108 0.00373 0.00334 -0.00164 0.00172 152 8D-1 -0.00124 0.00511 -0.00483 0.00451 -0.00171 153 8D+2 -0.00578 -0.00250 -0.00123 0.00073 -0.00086 154 8D-2 -0.00349 -0.00245 -0.00837 -0.00177 0.00068 155 8 Cu 1S -0.00013 0.00016 0.00345 0.00139 0.00032 156 2S -0.00162 0.00037 0.00919 -0.00195 -0.00147 157 3S -0.06233 -0.03845 -0.82470 -0.58906 -0.20120 158 4PX 0.00068 0.02855 -0.00587 -0.01924 0.07465 159 4PY -0.00075 0.00941 0.05469 -0.02757 0.00825 160 4PZ -0.00127 -0.00176 0.04604 -0.00915 -0.01547 161 5PX -0.02812 -0.25652 0.02757 0.18709 -0.62714 162 5PY 0.00175 -0.07447 -0.32130 0.16816 -0.08497 163 5PZ 0.01115 0.01903 -0.34852 0.15429 0.15034 164 6PX -0.30893 0.54806 -0.08596 -0.30758 0.57336 165 6PY -0.46805 0.20290 0.97649 -0.91736 0.05984 166 6PZ 0.24126 -0.02705 1.09655 -1.96502 -0.87489 167 7D 0 0.00479 -0.01421 -0.03614 0.02756 0.00919 168 7D+1 -0.02688 0.04456 -0.00581 0.00043 -0.00421 169 7D-1 -0.00848 0.01114 -0.02527 0.00852 0.00616 170 7D+2 -0.01206 0.01479 -0.00819 0.03561 0.02146 171 7D-2 0.00944 -0.01909 -0.00583 0.02533 -0.01823 172 8D 0 0.00079 -0.00354 -0.00797 0.00313 0.00183 173 8D+1 -0.00532 0.01115 -0.00108 0.00081 -0.00375 174 8D-1 -0.00223 0.00282 -0.00809 -0.00204 -0.00027 175 8D+2 -0.00338 0.00411 -0.00006 0.00941 0.00502 176 8D-2 0.00375 -0.00548 -0.00087 0.00582 -0.00435 177 9 C 1S 0.00006 -0.00326 -0.05632 0.00191 0.00063 178 2S -0.00029 0.00727 0.12321 -0.00477 -0.00181 179 3S 0.00025 0.03702 0.65838 -0.01985 -0.00524 180 4PX 0.10749 -0.00562 -0.02434 0.03125 -0.15524 181 4PY 0.02361 0.00500 0.09410 -0.03307 -0.04451 182 4PZ -0.01046 0.00073 -0.02699 -0.15883 -0.02253 183 5PX 0.07340 -0.00442 -0.01586 0.02929 -0.14920 184 5PY 0.01649 0.00293 0.05951 -0.02794 -0.03969 185 5PZ -0.00759 0.00092 -0.01793 -0.15427 -0.02294 186 10 O 1S -0.00004 0.00043 0.00735 -0.00011 -0.00004 187 2S 0.00008 -0.00114 -0.01905 0.00015 0.00002 188 3S 0.00033 -0.00413 -0.07354 0.00219 0.00112 189 4PX -0.09982 0.00201 0.01873 -0.00749 0.03785 190 4PY -0.02224 -0.00413 -0.07469 0.01019 0.01155 191 4PZ 0.00883 0.00044 0.01832 0.03984 0.00529 192 5PX -0.07875 0.00296 0.02550 -0.01159 0.05661 193 5PY -0.01751 -0.00565 -0.10229 0.01471 0.01697 194 5PZ 0.00718 0.00055 0.02498 0.05905 0.00815 121 122 123 124 125 V V V V V EIGENVALUES -- 0.12456 0.12493 0.14508 0.14600 0.17272 1 1 Cu 1S 0.00001 -0.00001 0.00006 -0.00017 0.00009 2 2S 0.00216 -0.00100 0.00182 -0.00429 0.00109 3 3S 0.04266 -0.02221 0.03777 -0.10598 -0.00157 4 4PX 0.00022 -0.00233 -0.03962 -0.00227 -0.03139 5 4PY 0.00052 -0.00057 -0.00970 0.00845 -0.00857 6 4PZ 0.00177 0.00044 -0.00020 0.03965 -0.00435 7 5PX -0.00166 -0.02406 0.36588 0.02281 0.52213 8 5PY 0.00652 -0.00611 0.09035 -0.07616 0.14720 9 5PZ 0.02388 -0.00069 0.00398 -0.37034 0.07128 10 6PX -0.01154 -3.90011 -13.96615 -0.69880 -2.18371 11 6PY 0.88530 -0.89230 -3.35954 2.93751 -0.62584 12 6PZ 4.22361 0.20230 0.03530 14.50932 -0.37692 13 7D 0 0.01290 -0.01066 0.00819 -0.01016 0.00908 14 7D+1 0.00377 0.03551 -0.02436 -0.00478 -0.00975 15 7D-1 0.03521 0.00674 -0.00394 -0.02636 -0.00282 16 7D+2 -0.02164 0.01645 -0.01318 0.01615 0.00859 17 7D-2 -0.00723 -0.01638 0.01335 0.00568 -0.02686 18 8D 0 -0.00052 -0.00109 -0.00003 0.00378 0.00521 19 8D+1 -0.00072 0.00456 -0.00147 0.00195 -0.00464 20 8D-1 0.00773 0.00111 -0.00049 -0.00802 -0.00180 21 8D+2 -0.00325 0.00376 -0.00430 0.00189 0.00594 22 8D-2 -0.00108 -0.00558 0.00816 0.00086 -0.01676 23 2 Cu 1S 0.00188 0.00247 -0.00335 -0.00322 0.00495 24 2S -0.01551 -0.02433 -0.04660 -0.03516 0.04763 25 3S -1.25884 -1.83993 -1.61649 -0.98846 -0.05518 26 4PX -0.03252 0.03080 -0.01446 0.03458 -0.00173 27 4PY -0.00847 0.02933 0.02986 0.04777 -0.05517 28 4PZ -0.05125 0.02672 -0.05295 0.02076 0.00953 29 5PX 0.33262 -0.25997 0.17174 -0.38563 0.12779 30 5PY 0.06255 -0.30128 -0.26790 -0.47431 0.56484 31 5PZ 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51 5PX -0.40632 0.07124 -0.19362 -0.09475 -0.10098 52 5PY -0.25809 -0.00617 0.22738 0.22129 -0.35586 53 5PZ -0.29389 0.44092 -0.03815 0.07356 0.08224 54 6PX 3.93219 3.89905 8.42971 6.61799 2.66458 55 6PY -4.34140 -6.91075 -11.89040 -9.21985 0.09966 56 6PZ 0.46509 -1.34296 -1.57793 -1.19702 -0.85610 57 7D 0 0.02667 -0.03274 -0.01030 0.01623 0.03234 58 7D+1 -0.04292 -0.01423 -0.00404 0.00445 0.00975 59 7D-1 0.01232 -0.03792 0.03728 0.00354 -0.01875 60 7D+2 -0.03741 0.02204 0.01548 0.02212 0.02785 61 7D-2 -0.00062 -0.00127 -0.00371 -0.02800 0.05722 62 8D 0 0.00635 -0.00860 -0.00162 0.00234 0.00780 63 8D+1 -0.00784 -0.00247 -0.00375 -0.00390 0.00313 64 8D-1 0.00202 -0.00510 0.00641 0.00540 -0.00266 65 8D+2 -0.00713 0.00387 0.00861 0.00489 0.00788 66 8D-2 -0.00331 -0.00156 -0.00399 -0.00431 0.01768 67 4 Cu 1S 0.00151 -0.00379 0.00014 -0.00009 0.01034 68 2S -0.00087 -0.00209 -0.01309 0.00614 0.12162 69 3S -0.38466 0.87457 -0.73946 0.28874 2.77672 70 4PX -0.04579 0.02601 0.00216 0.00271 0.03355 71 4PY 0.00506 0.00753 0.04053 -0.01753 -0.03314 72 4PZ 0.05883 0.04322 -0.00782 -0.00636 0.01483 73 5PX 0.35137 -0.14259 -0.07057 -0.00518 -0.30125 74 5PY -0.08763 0.02896 -0.33916 0.15965 0.38372 75 5PZ -0.50377 -0.33770 0.04951 0.07408 -0.14397 76 6PX -1.34080 1.36166 3.65250 -1.44287 3.28441 77 6PY -3.84763 8.82857 16.80652 -6.67878 1.61340 78 6PZ 1.43332 0.29783 -0.19325 0.15652 0.94116 79 7D 0 0.01062 0.03617 0.00157 0.01738 -0.04844 80 7D+1 0.04691 -0.01458 0.01701 0.00811 -0.00129 81 7D-1 0.04243 0.02730 -0.02667 -0.01562 0.00112 82 7D+2 -0.01849 -0.01694 0.00003 -0.00648 -0.08316 83 7D-2 -0.01594 -0.00477 -0.03121 0.02690 0.03501 84 8D 0 0.00356 0.00852 0.00158 0.00128 -0.01436 85 8D+1 0.01027 -0.00116 0.00105 0.00217 0.00131 86 8D-1 0.00686 0.00413 -0.00533 0.00304 -0.00115 87 8D+2 -0.00527 -0.00112 -0.00243 -0.00067 -0.02361 88 8D-2 -0.00125 -0.00226 -0.01262 0.00504 0.00940 89 5 Cu 1S -0.00274 0.00026 -0.00047 0.00423 0.00198 90 2S 0.02905 -0.00276 -0.00773 0.05591 0.01889 91 3S 2.12470 -0.19542 -0.31122 1.85440 -0.01965 92 4PX 0.01098 0.07406 -0.06180 -0.00032 -0.00765 93 4PY -0.01751 0.01697 -0.00440 -0.05936 -0.02338 94 4PZ -0.00636 -0.01044 0.01087 -0.01343 0.00272 95 5PX -0.11428 -0.70376 0.67488 0.01813 0.06681 96 5PY 0.18890 -0.16289 0.05882 0.56536 0.24837 97 5PZ 0.02315 0.10046 -0.10958 0.12661 0.03118 98 6PX 0.09051 1.10282 1.41662 -0.44306 -0.12442 99 6PY 1.57668 0.08363 -0.43943 5.02754 -0.66686 100 6PZ 1.76298 -0.33823 -0.55736 2.47272 -0.27864 101 7D 0 -0.00260 -0.00827 -0.00054 0.00769 -0.01225 102 7D+1 -0.00104 0.03207 -0.00261 -0.00293 0.00813 103 7D-1 0.00526 0.01038 -0.00329 0.02181 -0.01113 104 7D+2 0.02050 0.01359 0.00270 -0.00301 -0.01112 105 7D-2 0.00582 -0.02467 -0.00475 0.00145 0.00937 106 8D 0 0.00366 -0.00165 0.00001 0.00435 -0.00502 107 8D+1 0.00143 0.00491 -0.00315 -0.00097 0.00281 108 8D-1 -0.00059 0.00174 -0.00172 0.00660 -0.00039 109 8D+2 0.00220 0.00221 -0.00090 0.00029 0.00017 110 8D-2 0.00021 -0.00401 0.00093 0.00130 0.00132 111 6 Cu 1S 0.00021 -0.00010 0.00022 -0.00050 0.00003 112 2S 0.00092 -0.00046 0.00153 -0.00336 0.00020 113 3S 0.00867 -0.00325 0.06214 -0.13271 -0.00333 114 4PX 0.00072 -0.01989 -0.03633 -0.00187 -0.11302 115 4PY 0.00536 -0.00474 -0.00863 0.00679 -0.03068 116 4PZ 0.01954 0.00200 -0.00009 0.03506 -0.01483 117 5PX -0.00590 0.24557 0.31708 0.01555 1.39852 118 5PY -0.06557 0.05885 0.07107 -0.04723 0.38077 119 5PZ -0.24043 -0.02194 0.00342 -0.30056 0.18248 120 6PX -0.00236 3.52055 5.27513 0.18602 -1.64694 121 6PY -0.77869 0.81049 1.27602 -1.15430 -0.44508 122 6PZ -3.51002 -0.19284 -0.09075 -5.24600 -0.19401 123 7D 0 -0.02169 0.01491 -0.01043 0.03063 0.02000 124 7D+1 -0.00773 -0.04395 0.02254 0.01572 -0.01025 125 7D-1 -0.04104 -0.00806 0.00220 -0.01185 -0.00859 126 7D+2 0.02658 -0.01807 -0.00635 -0.00920 0.03363 127 7D-2 0.00808 0.01597 0.02709 -0.00246 -0.08236 128 8D 0 -0.00353 0.00181 -0.00082 0.00543 0.00223 129 8D+1 -0.00141 -0.00498 0.00016 0.00294 0.00085 130 8D-1 -0.00337 -0.00075 -0.00049 -0.00777 -0.00121 131 8D+2 0.00278 -0.00118 -0.00395 0.00122 0.00678 132 8D-2 0.00084 0.00002 0.00847 0.00057 -0.01427 133 7 Cu 1S 0.00136 -0.00297 0.00428 -0.00208 -0.00691 134 2S -0.01108 0.02602 0.05443 -0.02206 -0.06690 135 3S -0.91242 2.05567 1.79169 -0.57813 0.09314 136 4PX 0.02256 0.02604 0.02652 -0.03874 -0.03098 137 4PY -0.00088 -0.01585 -0.03775 0.02184 0.06719 138 4PZ -0.06582 -0.02181 0.04035 0.04671 -0.01760 139 5PX -0.22770 -0.21906 -0.24278 0.41785 0.49781 140 5PY -0.01274 0.18977 0.35455 -0.20665 -0.61638 141 5PZ 0.61915 0.21469 -0.41467 -0.52212 0.25952 142 6PX 1.30222 -1.67676 -3.59731 2.04798 -1.81230 143 6PY -0.26828 0.26306 2.71759 -1.24187 1.33603 144 6PZ -0.62941 -1.25587 -2.42592 -0.44183 -0.86391 145 7D 0 -0.00302 0.01634 -0.00151 -0.00413 0.01162 146 7D+1 0.01517 -0.00325 0.00963 -0.00673 0.01901 147 7D-1 0.03366 0.01976 -0.00016 0.00312 0.01230 148 7D+2 -0.01369 0.00521 0.01767 -0.00558 0.04986 149 7D-2 -0.01530 -0.00488 -0.00700 0.00009 0.01804 150 8D 0 0.00077 -0.00002 -0.00047 -0.00150 -0.00484 151 8D+1 0.00156 0.00122 0.00295 -0.00305 0.00868 152 8D-1 0.00502 0.00401 -0.00054 -0.00255 0.00354 153 8D+2 -0.00201 0.00076 0.00658 -0.00136 0.00661 154 8D-2 -0.00396 0.00247 0.00031 0.00113 0.00884 155 8 Cu 1S -0.00370 0.00049 -0.00004 -0.00015 -0.00303 156 2S 0.00027 0.00090 0.00124 -0.01417 -0.03504 157 3S 0.93911 -0.10122 0.12836 -0.83140 -0.78575 158 4PX -0.01103 -0.07291 0.01211 -0.00941 0.01106 159 4PY -0.02168 -0.01254 -0.00321 0.03831 0.01535 160 4PZ -0.04096 0.01548 0.00096 -0.02048 0.00223 161 5PX 0.06757 0.61588 -0.11771 0.07887 -0.09141 162 5PY 0.22264 0.10413 0.01574 -0.29627 -0.15633 163 5PZ 0.22361 -0.11801 -0.00887 0.22103 -0.01077 164 6PX -2.59954 -1.23245 0.65731 -4.53854 1.27019 165 6PY 7.22375 -0.98426 -1.89077 13.27604 0.27849 166 6PZ -6.12415 0.79879 1.75052 -12.06782 0.92582 167 7D 0 -0.02394 -0.01480 0.00130 -0.02239 -0.00574 168 7D+1 -0.00127 0.06419 0.00703 -0.00624 0.00224 169 7D-1 -0.01453 0.01787 -0.00713 0.02539 0.02753 170 7D+2 0.03541 0.01327 -0.00795 -0.02905 0.01775 171 7D-2 0.01075 -0.01759 0.03306 -0.00314 -0.00013 172 8D 0 -0.00493 -0.00317 0.00080 -0.01200 -0.00178 173 8D+1 -0.00095 0.01353 0.00357 -0.00283 0.00138 174 8D-1 0.00043 0.00289 -0.00019 0.00546 0.00711 175 8D+2 0.00671 0.00152 0.00114 -0.00640 0.00399 176 8D-2 0.00287 -0.00070 0.00141 -0.00161 0.00384 177 9 C 1S 0.00058 -0.00028 0.00029 -0.00073 0.00009 178 2S -0.00118 0.00048 -0.00031 0.00095 -0.00030 179 3S -0.00837 0.00426 -0.00572 0.01262 -0.00036 180 4PX 0.00198 0.01122 -0.06558 -0.00342 0.07511 181 4PY -0.00413 0.00350 -0.01629 0.01372 0.02047 182 4PZ -0.01463 0.00091 -0.00038 0.06209 0.00989 183 5PX 0.00117 -0.02098 -0.02278 -0.00130 -0.01403 184 5PY 0.00292 -0.00400 -0.00656 0.01019 -0.00084 185 5PZ 0.01651 0.00166 0.00062 0.01861 -0.00178 186 10 O 1S 0.00008 -0.00003 -0.00004 0.00034 -0.00008 187 2S -0.00014 0.00005 0.00013 -0.00102 0.00009 188 3S -0.00057 0.00014 0.00036 -0.00165 0.00149 189 4PX -0.00127 -0.01941 0.08636 0.00498 -0.03291 190 4PY 0.00477 -0.00515 0.02129 -0.01878 -0.00852 191 4PZ 0.01909 -0.00015 -0.00042 -0.08577 -0.00388 192 5PX -0.00103 0.00208 0.05384 0.00291 -0.02651 193 5PY 0.00079 -0.00028 0.01374 -0.01263 -0.00702 194 5PZ -0.00140 -0.00070 -0.00030 -0.05298 -0.00357 126 127 128 129 130 V V V V V EIGENVALUES -- 0.17291 0.18796 0.21806 0.23868 0.25642 1 1 Cu 1S 0.00033 0.02844 -0.00066 -0.05400 0.00077 2 2S 0.00407 0.33272 -0.00504 -0.39525 -0.01430 3 3S 0.00982 2.35288 0.06120 2.62974 -1.34625 4 4PX 0.00587 -0.00485 -0.00053 -0.00423 -0.12436 5 4PY -0.00520 0.02059 -0.00033 0.01686 -0.02437 6 4PZ -0.03206 -0.00388 0.00030 -0.00368 -0.01368 7 5PX -0.10156 -0.24165 0.01954 0.61896 2.49659 8 5PY 0.10872 0.97077 -0.03004 -2.51879 0.66267 9 5PZ 0.53487 -0.23763 0.00196 0.57818 0.24507 10 6PX 0.47248 -0.07593 -0.01897 -0.72310 0.51263 11 6PY -0.40002 0.43269 0.02246 2.85691 -0.58645 12 6PZ -2.25516 0.00878 0.00397 -0.73049 0.19397 13 7D 0 0.02108 -0.02045 -0.00006 -0.03256 0.04160 14 7D+1 0.01318 0.00387 -0.00074 0.00652 -0.08708 15 7D-1 -0.01664 -0.01640 0.00005 -0.02647 -0.01063 16 7D+2 -0.00539 -0.03418 0.00022 -0.05556 -0.02087 17 7D-2 0.00283 -0.01781 -0.00094 -0.02881 -0.02445 18 8D 0 0.01297 0.00364 -0.00033 -0.03794 0.01264 19 8D+1 0.00780 -0.00094 -0.00011 0.00765 -0.02359 20 8D-1 -0.01143 0.00352 -0.00015 -0.03130 -0.00258 21 8D+2 -0.00234 0.00683 -0.00037 -0.06475 -0.00263 22 8D-2 0.00228 0.00360 -0.00065 -0.03354 -0.01044 23 2 Cu 1S -0.00497 0.02090 0.00017 0.00131 -0.01388 24 2S -0.04965 0.05749 0.00129 0.10949 -0.08187 25 3S 0.08584 0.54946 -0.07489 0.60937 -0.58874 26 4PX -0.01005 0.00454 0.01990 0.03489 -0.01321 27 4PY 0.04947 -0.05558 0.01116 -0.03552 0.01292 28 4PZ -0.02456 0.02050 0.02718 -0.01260 0.03343 29 5PX -0.03309 -0.10910 -0.27744 -0.41540 0.31480 30 5PY -0.50781 0.88973 -0.17077 0.53992 0.29948 31 5PZ 0.33763 -0.29171 -0.40332 0.10164 -0.87678 32 6PX 0.47254 -0.30818 0.61421 0.42140 -0.00068 33 6PY 1.33495 -0.37142 0.31136 -0.70547 -0.12387 34 6PZ -1.09796 0.39566 0.81592 -0.01919 0.03207 35 7D 0 0.00656 -0.03084 -0.00266 -0.01738 -0.09547 36 7D+1 -0.02154 0.03353 0.02651 -0.05104 0.07251 37 7D-1 0.00745 0.02280 -0.04866 0.00208 -0.00848 38 7D+2 0.02793 -0.03112 0.03979 0.01577 -0.04155 39 7D-2 0.02537 -0.05878 -0.02373 -0.03030 -0.00119 40 8D 0 -0.00269 -0.00614 -0.00324 -0.00600 -0.01020 41 8D+1 -0.00901 0.00290 0.00369 0.00809 0.02562 42 8D-1 0.00017 0.00342 -0.00471 0.00742 0.01097 43 8D+2 0.00720 -0.00532 0.00493 -0.00448 -0.01826 44 8D-2 -0.00028 -0.01140 -0.00067 -0.01309 -0.02151 45 3 Cu 1S 0.00772 -0.00517 0.00009 0.00194 -0.00511 46 2S 0.08968 -0.09797 0.00088 -0.00486 0.00827 47 3S 2.03202 -1.84902 0.04365 -1.15275 1.86410 48 4PX -0.00129 -0.00257 -0.05407 0.00810 0.04929 49 4PY -0.02795 -0.02995 -0.02786 0.00570 -0.03794 50 4PZ 0.02599 0.01192 -0.07277 -0.00820 -0.01425 51 5PX -0.01812 -0.07063 0.84234 -0.26743 -1.20759 52 5PY 0.31537 0.56124 0.41949 -0.31219 0.74588 53 5PZ -0.23726 -0.14879 1.12851 0.32511 0.12032 54 6PX -1.80520 0.51264 -1.74051 -0.24685 -0.38248 55 6PY 0.53552 0.30573 -0.95490 0.70680 -0.10960 56 6PZ 2.24271 -0.58591 -2.37056 -0.07494 0.44571 57 7D 0 -0.03777 0.06225 0.08053 0.02396 -0.04834 58 7D+1 -0.00110 0.05095 -0.01642 -0.01570 -0.01191 59 7D-1 0.00467 0.00604 -0.00359 -0.05945 0.03736 60 7D+2 -0.01530 0.03207 -0.02891 -0.01278 0.03456 61 7D-2 -0.06319 0.08782 -0.03674 0.07628 -0.00094 62 8D 0 -0.01276 0.01455 0.02027 0.00677 -0.01028 63 8D+1 -0.00167 0.00658 -0.00649 0.00211 -0.00192 64 8D-1 0.00193 0.00115 0.00310 -0.02323 0.00703 65 8D+2 -0.00558 0.01066 -0.01069 -0.01314 0.02214 66 8D-2 -0.01604 0.02045 -0.00715 0.02622 -0.00148 67 4 Cu 1S 0.00252 -0.00519 0.00036 0.00191 -0.00007 68 2S 0.02935 -0.09815 0.00186 -0.00455 -0.01959 69 3S 0.67083 -1.83143 0.00380 -1.13420 -2.49986 70 4PX 0.00203 0.01695 -0.03747 -0.01133 0.03276 71 4PY -0.00726 -0.02577 0.00990 0.00158 0.06461 72 4PZ 0.01891 0.01078 0.08632 -0.00622 0.00445 73 5PX -0.01729 -0.19599 0.57926 0.44351 -0.72544 74 5PY 0.09424 0.53275 -0.16523 -0.16150 -1.14421 75 5PZ -0.17503 -0.15132 -1.33617 0.23688 -0.02260 76 6PX 0.28896 -0.77302 -1.22671 -0.05292 0.14902 77 6PY 0.46485 0.02101 0.29746 0.75396 0.93798 78 6PZ 1.40039 -0.29879 2.81486 -0.14103 -0.07443 79 7D 0 -0.01169 0.08278 -0.05977 0.00963 0.01553 80 7D+1 -0.00525 -0.03420 -0.06372 0.03556 0.02375 81 7D-1 -0.01341 0.00868 -0.00724 -0.02403 -0.03284 82 7D+2 -0.01609 0.07472 0.03454 0.06013 -0.00580 83 7D-2 0.01414 -0.03927 -0.00796 -0.06905 -0.06163 84 8D 0 -0.00580 0.01703 -0.01438 0.00470 0.00540 85 8D+1 -0.00272 -0.00459 -0.01659 0.00889 0.00217 86 8D-1 -0.00132 0.00293 -0.00739 -0.01216 -0.00921 87 8D+2 -0.00383 0.02073 0.00937 0.01370 -0.01064 88 8D-2 0.00235 -0.00598 0.00022 -0.03178 -0.02610 89 5 Cu 1S 0.00720 0.02077 0.00018 0.00122 -0.00776 90 2S 0.06767 0.05657 0.00175 0.10904 -0.03375 91 3S -0.07675 0.57048 -0.04588 0.60913 0.35287 92 4PX 0.01958 0.01181 -0.03390 0.01215 0.02948 93 4PY -0.07364 -0.05682 -0.00669 -0.02941 0.00671 94 4PZ 0.00200 0.00069 0.00518 0.04047 -0.01049 95 5PX -0.17539 -0.19583 0.49970 -0.17015 -0.57560 96 5PY 0.79795 0.90700 0.09043 0.47101 0.10726 97 5PZ 0.18462 -0.06953 -0.06637 -0.47090 0.17056 98 6PX 0.32974 0.00523 -1.02343 0.22330 -0.03328 99 6PY -2.09468 -0.40372 -0.21144 -0.68813 0.11210 100 6PZ -1.05812 -0.37903 0.16516 0.43275 0.01414 101 7D 0 -0.03694 -0.02564 0.01052 0.05437 -0.04819 102 7D+1 0.00015 0.01153 -0.03544 0.02016 0.09815 103 7D-1 -0.03697 -0.07498 -0.01510 -0.01204 -0.00511 104 7D+2 -0.02056 -0.01137 -0.02784 -0.02000 -0.01832 105 7D-2 -0.01935 -0.01648 0.05313 -0.01157 0.03832 106 8D 0 -0.01432 -0.00142 0.00171 -0.00507 -0.00540 107 8D+1 -0.00418 0.00291 -0.00691 0.00269 -0.00024 108 8D-1 -0.00343 -0.01332 -0.00167 -0.01745 -0.01305 109 8D+2 0.00079 -0.00375 -0.00249 0.00010 -0.00080 110 8D-2 -0.00044 -0.00357 0.00360 -0.00276 -0.00284 111 6 Cu 1S 0.00037 0.03753 -0.00032 0.01159 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-0.03084 193 5PY -0.01487 -0.00337 0.00503 -0.00028 0.10869 194 5PZ -0.05413 0.02513 -0.00241 -0.01792 -0.04620 136 137 138 139 140 V V V V V EIGENVALUES -- 0.30327 0.30450 0.32190 0.40185 0.40213 1 1 Cu 1S -0.01662 0.00197 0.01141 0.00030 -0.00047 2 2S -0.18391 0.02294 0.02653 0.00175 -0.00222 3 3S -5.24102 0.69522 -0.69554 0.02221 -0.00477 4 4PX -0.00006 -0.06193 -0.03907 -0.00582 -0.00048 5 4PY 0.00557 -0.01451 0.15693 -0.00146 0.00205 6 4PZ 0.05272 0.00473 -0.03804 0.00017 0.00525 7 5PX -0.03596 2.00410 0.99804 0.70161 0.04052 8 5PY 0.02004 0.42897 -4.01064 0.17656 -0.17127 9 5PZ -1.76366 -0.12773 0.98724 -0.00755 -0.69657 10 6PX 0.40442 0.09901 0.06447 3.47462 0.20252 11 6PY -1.81203 0.26863 -0.33172 0.83406 -0.72746 12 6PZ 0.24673 -0.10028 0.08871 -0.01221 -3.50020 13 7D 0 -0.01661 0.01985 -0.00442 -0.00501 0.01350 14 7D+1 -0.00708 -0.06165 0.00091 0.01066 0.00670 15 7D-1 -0.04965 -0.01567 -0.00242 0.00152 -0.00452 16 7D+2 0.03772 -0.02804 -0.01281 -0.00320 -0.00517 17 7D-2 0.01172 0.03033 -0.00575 0.01260 -0.00091 18 8D 0 -0.00736 0.00960 -0.00127 0.00534 -0.03253 19 8D+1 -0.01035 -0.03029 0.00054 -0.00193 -0.01772 20 8D-1 -0.00527 -0.00730 -0.00111 0.00101 0.04572 21 8D+2 0.03298 -0.00837 -0.00396 0.02402 -0.00325 22 8D-2 0.01293 -0.00284 -0.00199 -0.05342 -0.00312 23 2 Cu 1S 0.01019 0.00851 0.03722 0.01444 0.01298 24 2S 0.04667 -0.03668 0.08134 0.09320 0.07842 25 3S -2.26601 -5.00431 -3.40187 0.36388 0.23144 26 4PX -0.00075 -0.02772 -0.01633 0.01475 0.00967 27 4PY 0.01041 0.02222 -0.00044 0.01157 0.00846 28 4PZ -0.01553 0.02119 0.01370 -0.01354 -0.01380 29 5PX 0.56736 1.05455 0.66721 -0.28708 -0.07385 30 5PY -0.84314 -0.93778 -0.33945 -0.00349 0.06126 31 5PZ 0.31224 -0.75085 -0.39954 0.05190 0.24294 32 6PX -0.24983 -0.17726 0.05128 -0.39403 0.15377 33 6PY 0.38576 -0.44560 -0.38590 0.36661 0.54311 34 6PZ 0.11432 0.23055 0.10658 -0.38263 0.32639 35 7D 0 0.06293 -0.00183 0.00361 -0.00996 -0.01142 36 7D+1 -0.00656 0.06331 0.01985 -0.02255 -0.03646 37 7D-1 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-0.03950 0.01686 -0.00731 0.03802 -0.03416 58 7D+1 0.05057 0.04686 -0.02387 0.00817 0.03054 59 7D-1 -0.01705 0.02502 -0.08810 0.02579 0.00246 60 7D+2 0.00910 -0.07239 -0.06670 -0.01108 0.02839 61 7D-2 0.02650 -0.04248 0.04592 -0.01129 0.01050 62 8D 0 -0.01726 -0.00498 -0.01060 -0.00715 0.00160 63 8D+1 0.02485 0.01272 -0.00143 0.00675 -0.00180 64 8D-1 -0.00719 0.00960 -0.01615 -0.00999 0.00191 65 8D+2 0.00146 -0.03688 -0.02429 -0.00451 -0.01390 66 8D-2 -0.00151 -0.02557 -0.00602 -0.00215 -0.00038 67 4 Cu 1S -0.01222 0.02934 -0.00005 0.01561 -0.00580 68 2S -0.09445 0.22256 0.06658 0.13175 -0.04902 69 3S -1.95392 3.06823 2.68036 4.52997 -1.64623 70 4PX 0.02772 -0.08007 -0.02494 -0.04384 0.01520 71 4PY 0.04534 -0.05420 0.02181 0.01248 -0.00335 72 4PZ 0.01978 -0.02147 -0.01455 -0.01929 0.01078 73 5PX -0.67401 2.57159 0.65037 1.31501 -0.29329 74 5PY -1.63225 2.13427 -1.88022 -0.24170 -0.00332 75 5PZ -0.87183 0.46159 0.54688 0.40935 -0.63842 76 6PX -0.09944 0.82495 -0.76648 0.17161 -0.06663 77 6PY -1.85043 4.77956 -1.40671 -1.89152 0.59470 78 6PZ 0.36105 -0.08025 -0.20415 0.27897 -0.12588 79 7D 0 -0.01511 -0.03127 -0.02960 -0.03276 -0.02402 80 7D+1 -0.05364 0.02130 0.05418 0.00799 -0.04807 81 7D-1 -0.03329 -0.00014 -0.04778 -0.01765 -0.02033 82 7D+2 0.03218 0.08629 0.00937 0.01257 0.02099 83 7D-2 -0.01864 0.03032 -0.09367 -0.00703 0.00612 84 8D 0 -0.00222 0.00107 -0.01352 0.00425 0.00092 85 8D+1 -0.02329 0.00671 0.00819 0.00211 0.00548 86 8D-1 -0.01775 -0.00017 -0.01171 0.00987 0.00792 87 8D+2 0.00523 0.04766 -0.01728 0.00715 -0.00737 88 8D-2 -0.00275 0.01012 -0.01724 0.00776 -0.00670 89 5 Cu 1S -0.00591 0.00045 0.03759 0.00214 -0.01720 90 2S 0.09073 -0.01284 0.07980 0.01602 -0.11587 91 3S 6.08791 -0.86841 -3.59374 0.14377 -0.38505 92 4PX 0.01244 0.01135 -0.00228 0.00241 0.00147 93 4PY -0.01086 0.00491 -0.00359 0.00294 -0.01910 94 4PZ 0.06289 -0.01094 -0.02215 0.00300 -0.02174 95 5PX -0.37516 -0.39115 0.16465 -0.20207 0.00438 96 5PY 0.30322 -0.16762 -0.21784 -0.03242 0.04269 97 5PZ -1.85533 0.32070 0.87452 -0.03184 0.31963 98 6PX -0.20467 -0.06970 0.09111 -0.64582 0.06332 99 6PY 1.00867 -0.16872 -0.40613 -0.03619 -0.62466 100 6PZ 0.04664 0.01996 0.01659 0.06351 0.22115 101 7D 0 0.03120 -0.02170 0.01071 -0.00271 -0.00746 102 7D+1 0.01508 0.06219 0.00395 0.01524 -0.00148 103 7D-1 0.05427 0.01140 -0.03568 0.01196 -0.03143 104 7D+2 -0.07287 0.01728 0.04700 0.00748 0.05996 105 7D-2 -0.02349 0.00427 0.01479 -0.03494 0.01603 106 8D 0 0.02278 -0.00415 0.00038 -0.00096 -0.00227 107 8D+1 0.01081 0.00404 -0.00752 0.00647 0.00015 108 8D-1 -0.01485 0.00429 0.01623 -0.00783 0.03229 109 8D+2 -0.00583 0.00313 0.02579 -0.00490 -0.04577 110 8D-2 -0.00524 -0.00135 0.01376 0.03001 -0.01043 111 6 Cu 1S -0.01170 0.00107 0.01451 -0.00019 0.00104 112 2S 0.04519 -0.00577 0.08759 -0.00073 0.00232 113 3S 3.66419 -0.36414 4.39589 -0.03038 0.03012 114 4PX -0.01180 -0.00657 -0.00614 -0.00141 -0.00006 115 4PY 0.04959 -0.00712 0.02472 -0.00044 0.00003 116 4PZ -0.00432 0.00168 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4PX -0.01344 -0.01821 0.01804 0.02521 -0.00868 137 4PY -0.00113 -0.03467 0.00682 -0.00438 0.00232 138 4PZ -0.01655 -0.01082 0.00819 0.01100 -0.00736 139 5PX 0.12589 0.73670 -0.55405 -0.29703 0.01874 140 5PY -0.56813 1.53402 -0.58982 -0.14723 0.04227 141 5PZ 0.49343 0.38918 -0.21457 -0.03821 0.21628 142 6PX -0.00991 -0.40777 0.12762 -0.02314 -0.26071 143 6PY 0.55745 0.21710 -0.35838 -0.57714 0.28604 144 6PZ 0.02228 -0.13620 0.09119 0.31910 0.51472 145 7D 0 0.04571 -0.04659 0.01802 0.03283 -0.01998 146 7D+1 0.03019 0.07029 -0.03125 -0.04225 0.01801 147 7D-1 0.03798 -0.01052 0.02013 0.03365 0.02461 148 7D+2 0.02015 -0.02855 -0.00395 -0.00458 -0.00033 149 7D-2 0.00324 -0.02859 0.03921 0.01957 -0.02535 150 8D 0 0.01553 -0.02397 0.02055 -0.01662 0.02421 151 8D+1 0.00299 0.00788 -0.00755 0.03672 -0.00260 152 8D-1 0.00440 0.00666 0.00718 -0.02639 -0.01143 153 8D+2 0.02003 -0.02642 0.02334 0.00609 -0.00730 154 8D-2 -0.01258 0.02555 0.00152 -0.02549 0.02190 155 8 Cu 1S 0.02377 -0.00271 -0.00197 -0.00281 0.01779 156 2S 0.19191 -0.01725 0.04716 -0.02283 0.14206 157 3S 2.33187 0.01019 2.22124 -0.78391 4.74354 158 4PX 0.00574 -0.01573 -0.00572 -0.00330 -0.00238 159 4PY 0.02135 -0.00248 0.03042 -0.00686 0.03570 160 4PZ 0.07449 -0.00555 0.00658 -0.00522 0.03801 161 5PX -0.23699 0.91990 0.48668 0.47265 0.09137 162 5PY -0.32314 0.14579 -1.95921 0.25919 -0.89544 163 5PZ -2.57045 0.13983 0.46906 0.09960 -1.16970 164 6PX -1.05873 -0.04868 0.40614 -0.04939 0.47985 165 6PY 2.81844 -0.45924 -0.93119 0.33201 -1.72844 166 6PZ -2.89133 0.41126 1.55918 -0.14523 0.73741 167 7D 0 0.06938 0.01608 -0.04554 0.01439 0.01195 168 7D+1 -0.01250 -0.08016 -0.01361 -0.06005 -0.00556 169 7D-1 0.08894 -0.02677 0.06793 -0.01364 0.01530 170 7D+2 0.01641 -0.01195 -0.08425 -0.00075 -0.02890 171 7D-2 0.02195 -0.01311 -0.02569 -0.00969 -0.01172 172 8D 0 0.02245 0.00666 -0.01511 -0.00466 0.01041 173 8D+1 -0.01045 -0.02964 0.00102 0.01081 0.00243 174 8D-1 0.04218 -0.01208 -0.00401 0.00305 0.00213 175 8D+2 0.02305 -0.00950 -0.02658 0.00269 0.01050 176 8D-2 0.01779 0.00059 -0.01192 -0.00576 0.00390 177 9 C 1S -0.02990 0.00322 0.08065 0.00004 0.00016 178 2S 0.07100 -0.00825 -0.02277 -0.00032 0.00057 179 3S 0.64401 -0.06783 -2.74011 0.00166 -0.00887 180 4PX -0.00555 -0.19065 -0.02261 0.78596 0.04059 181 4PY 0.06712 -0.04613 0.08592 0.19063 -0.17084 182 4PZ 0.16120 0.01830 -0.02652 -0.00077 -0.79039 183 5PX -0.12194 0.01794 -0.03279 -1.70873 -0.08922 184 5PY 0.47748 -0.06211 0.13596 -0.41560 0.37058 185 5PZ -0.12680 0.01405 -0.03188 0.00154 1.71736 186 10 O 1S -0.00711 0.00121 -0.05170 0.00011 -0.00015 187 2S 0.00504 -0.00129 0.10529 -0.00032 0.00055 188 3S 0.16024 -0.02470 0.75720 -0.00113 0.00121 189 4PX 0.00555 0.02844 -0.04493 0.14831 0.00737 190 4PY -0.02296 0.00768 0.18579 0.03637 -0.03185 191 4PZ -0.01996 -0.00152 -0.04151 -0.00016 -0.14997 192 5PX 0.01401 0.03469 -0.10108 0.09987 0.00511 193 5PY -0.06054 0.01301 0.41627 0.02330 -0.02049 194 5PZ -0.01665 -0.00400 -0.09460 0.00008 -0.09982 141 142 143 144 145 V V V V V EIGENVALUES -- 0.55001 0.61387 0.63276 0.63371 0.66867 1 1 Cu 1S -0.06395 0.05341 -0.00088 0.00023 -0.00635 2 2S -0.21808 0.10345 -0.00068 0.00032 -0.03183 3 3S 3.19380 1.18193 0.00438 0.01255 4.63945 4 4PX 0.00908 0.00073 -0.00055 0.01438 0.00499 5 4PY -0.03725 -0.00192 -0.00313 0.00307 -0.01954 6 4PZ 0.00840 0.00109 -0.01470 -0.00122 0.00473 7 5PX 0.05957 0.13996 0.00485 -0.24031 0.07135 8 5PY -0.24210 -0.60317 0.06178 -0.05400 -0.32127 9 5PZ 0.05722 0.11965 0.24699 0.01867 0.06092 10 6PX 0.31768 -0.08321 -0.00146 0.06037 -0.60449 11 6PY -1.32744 0.19146 0.02807 0.01356 2.47307 12 6PZ 0.28872 -0.13576 -0.01371 0.01396 -0.55102 13 7D 0 0.07091 -0.01359 -0.12646 0.00973 0.03364 14 7D+1 -0.01465 0.00252 -0.06870 -0.01404 -0.00938 15 7D-1 0.05957 -0.00959 0.16905 0.02024 0.03096 16 7D+2 0.12094 -0.02293 -0.02030 0.08761 0.05162 17 7D-2 0.06322 -0.01124 0.00694 -0.20187 0.02909 18 8D 0 -0.11398 0.01692 0.20291 -0.02091 -0.06858 19 8D+1 0.02349 -0.00308 0.10710 0.04096 0.01772 20 8D-1 -0.09562 0.01170 -0.24243 -0.02644 -0.06173 21 8D+2 -0.19472 0.02840 0.01987 -0.12730 -0.10897 22 8D-2 -0.10171 0.01382 -0.01337 0.30255 -0.05996 23 2 Cu 1S 0.00775 -0.04007 -0.02373 -0.03766 0.10934 24 2S 0.05931 -0.08899 -0.03805 -0.06012 0.24351 25 3S -0.16465 -0.61142 1.10150 1.70250 -1.74185 26 4PX 0.00499 -0.01034 -0.00126 0.00487 -0.00315 27 4PY 0.00297 -0.00304 -0.00183 0.00100 0.01136 28 4PZ -0.00493 0.00857 -0.00532 0.00046 -0.00173 29 5PX -0.06291 0.22818 -0.14688 -0.30714 0.22144 30 5PY 0.14518 0.07770 0.11811 0.14992 -0.09347 31 5PZ -0.01133 -0.19390 0.14569 0.11745 -0.13209 32 6PX 0.21697 0.02674 -0.10218 -0.06379 0.22420 33 6PY 0.48653 -0.08871 0.21156 0.39718 -0.80338 34 6PZ -0.35910 0.03148 -0.10823 -0.05236 0.16720 35 7D 0 0.00393 -0.02867 0.01263 0.00703 -0.00375 36 7D+1 -0.06174 0.02956 -0.06303 0.01702 -0.05161 37 7D-1 -0.03180 -0.06808 0.05371 -0.12657 -0.04103 38 7D+2 0.01664 -0.10336 -0.09619 0.01889 0.00147 39 7D-2 0.02307 0.00824 0.08601 0.02512 0.02221 40 8D 0 -0.01339 0.03513 -0.02326 -0.01705 0.01252 41 8D+1 0.05982 -0.02685 0.07298 -0.03664 0.07436 42 8D-1 0.04077 0.09385 -0.06709 0.17008 0.06226 43 8D+2 -0.01748 0.12884 0.12918 -0.02095 0.00701 44 8D-2 -0.04302 -0.01689 -0.12166 -0.05033 -0.02425 45 3 Cu 1S 0.02512 -0.07299 0.02071 0.03097 -0.00146 46 2S 0.03409 -0.11624 0.02608 0.03836 -0.02168 47 3S -0.31268 0.36757 -1.27637 -1.98141 0.60879 48 4PX -0.00338 0.00307 -0.00526 -0.00741 -0.00173 49 4PY -0.00374 0.00006 -0.00330 -0.00537 -0.01095 50 4PZ 0.00400 -0.00226 0.00497 0.00776 0.00564 51 5PX -0.09948 -0.06080 -0.01651 0.17604 -0.02939 52 5PY 0.30078 -0.14121 0.15608 0.37371 0.29314 53 5PZ -0.04751 0.09785 -0.27265 -0.12889 -0.10646 54 6PX -0.48626 0.14936 -0.34764 -0.41458 0.71960 55 6PY 0.27002 -0.09375 0.60884 1.00167 -0.02151 56 6PZ 0.24683 -0.06604 -0.13338 0.02211 -0.53486 57 7D 0 -0.00014 -0.02338 0.01889 0.00748 0.03021 58 7D+1 0.01845 -0.25248 0.08461 -0.05114 0.04365 59 7D-1 0.01456 -0.02278 -0.10187 0.18379 -0.01417 60 7D+2 -0.00006 0.12379 0.16826 -0.00249 -0.01236 61 7D-2 -0.01077 -0.03316 -0.11147 0.01620 0.05725 62 8D 0 0.00890 0.02564 -0.04504 0.01759 -0.04763 63 8D+1 -0.01961 0.32166 -0.11013 0.07498 -0.06485 64 8D-1 -0.00979 0.03355 0.15192 -0.24857 0.02897 65 8D+2 0.01308 -0.15794 -0.21830 0.01339 0.02321 66 8D-2 0.02058 0.03365 0.17422 -0.02271 -0.09332 67 4 Cu 1S 0.02532 -0.07353 0.01709 -0.03388 -0.00001 68 2S 0.03442 -0.11749 0.02203 -0.04213 -0.01976 69 3S -0.31852 0.36446 -1.01552 2.13822 0.56940 70 4PX 0.00555 -0.00323 0.00592 -0.01160 0.00762 71 4PY -0.00189 -0.00124 -0.00009 0.00183 -0.00905 72 4PZ 0.00274 -0.00122 0.00238 -0.00544 0.00435 73 5PX -0.04564 0.13325 -0.08544 0.35064 -0.13111 74 5PY 0.31257 -0.10151 0.09166 -0.28021 0.27286 75 5PZ -0.05654 0.06551 -0.24755 0.08153 -0.09689 76 6PX 0.37846 -0.09890 0.02594 0.01969 -0.76674 77 6PY 0.45758 -0.13767 0.47736 -1.20462 -0.36992 78 6PZ 0.13930 -0.03312 -0.18026 0.06395 -0.32266 79 7D 0 0.00973 -0.13490 0.05359 -0.00771 0.04810 80 7D+1 -0.01760 0.16452 -0.03470 0.03167 -0.02041 81 7D-1 0.00377 0.04039 -0.19243 -0.16559 -0.00785 82 7D+2 -0.01413 0.11581 0.03030 0.00570 0.02786 83 7D-2 0.00752 0.14410 0.14826 -0.05645 -0.05338 84 8D 0 -0.00097 0.16841 -0.08790 -0.01556 -0.07239 85 8D+1 0.01639 -0.21167 0.02285 -0.04658 0.02628 86 8D-1 0.00167 -0.04988 0.27336 0.22412 0.01587 87 8D+2 0.02954 -0.15488 -0.02407 -0.01649 -0.04557 88 8D-2 -0.00311 -0.17712 -0.20761 0.07001 0.08986 89 5 Cu 1S 0.00764 -0.04075 0.04809 -0.00301 0.10926 90 2S 0.05956 -0.09075 0.07847 -0.00455 0.24375 91 3S -0.16608 -0.59827 -2.04436 0.16230 -1.74068 92 4PX 0.00009 -0.00094 0.00004 0.00600 -0.00264 93 4PY 0.00401 -0.00550 -0.00042 0.00117 0.01105 94 4PZ 0.00642 -0.01273 -0.00391 -0.00052 -0.00337 95 5PX -0.03843 0.01778 0.07818 -0.07810 0.04769 96 5PY 0.14062 0.12505 -0.12414 0.00132 -0.04854 97 5PZ -0.06712 0.27764 0.40118 -0.02043 0.26398 98 6PX -0.07609 0.03165 0.11417 0.07293 0.20263 99 6PY 0.55259 -0.12449 -0.45555 0.05622 -0.79302 100 6PZ 0.29887 0.01085 0.09323 -0.00900 0.22426 101 7D 0 0.04687 -0.08904 0.02820 -0.02323 0.03244 102 7D+1 0.00485 -0.01319 0.02502 0.08132 0.00614 103 7D-1 0.05215 0.01084 -0.08956 0.04143 0.04742 104 7D+2 -0.02684 -0.08607 0.05631 0.06303 -0.03864 105 7D-2 -0.00408 -0.03315 0.00138 -0.12522 -0.01003 106 8D 0 -0.04042 0.10640 -0.05838 0.03213 -0.04244 107 8D+1 0.00182 0.01661 -0.04301 -0.10712 -0.01107 108 8D-1 -0.07291 -0.02512 0.13182 -0.05587 -0.06063 109 8D+2 0.02364 0.11460 -0.06537 -0.08306 0.06548 110 8D-2 -0.00058 0.04267 0.00420 0.16209 0.01989 111 6 Cu 1S 0.00172 -0.01090 0.00031 0.00053 0.10860 112 2S -0.00589 0.00276 0.00070 0.00081 0.18727 113 3S -1.11511 0.12389 0.05554 -0.02668 -1.15374 114 4PX 0.00233 -0.00254 0.00034 -0.00814 0.00285 115 4PY -0.00958 0.01042 0.00195 -0.00188 -0.01210 116 4PZ 0.00215 -0.00239 0.00838 0.00080 0.00261 117 5PX -0.07360 0.03402 -0.00515 0.10724 -0.12794 118 5PY 0.30156 -0.14128 -0.03613 0.02945 0.52182 119 5PZ -0.06795 0.03283 -0.11698 -0.01453 -0.11950 120 6PX 0.02015 -0.04290 0.00316 -0.42285 -0.09152 121 6PY -0.09316 0.19275 0.09459 -0.09691 0.34298 122 6PZ 0.01301 -0.02893 0.40163 0.02326 -0.07903 123 7D 0 0.00424 -0.09151 0.10010 -0.06026 0.04488 124 7D+1 -0.00077 0.01769 0.02458 0.19337 -0.00835 125 7D-1 0.00337 -0.07372 0.16215 0.04462 0.03339 126 7D+2 0.00600 -0.15759 -0.11525 0.06595 0.07613 127 7D-2 0.00318 -0.08053 -0.02946 -0.05716 0.03795 128 8D 0 -0.00392 0.12184 -0.14881 0.08616 -0.05370 129 8D+1 0.00066 -0.02349 -0.03830 -0.27655 0.00979 130 8D-1 -0.00300 0.09805 -0.22249 -0.06231 -0.03892 131 8D+2 -0.00511 0.20982 0.16292 -0.09011 -0.09094 132 8D-2 -0.00272 0.10731 0.04263 0.07293 -0.04482 133 7 Cu 1S 0.00754 -0.03991 -0.01848 0.04039 0.11024 134 2S 0.05891 -0.08871 -0.02974 0.06444 0.24520 135 3S -0.16489 -0.63171 0.83588 -1.84905 -1.75951 136 4PX -0.00688 0.01275 0.00089 0.00438 -0.00231 137 4PY 0.00039 0.00187 -0.00115 0.00142 0.01169 138 4PZ -0.00312 0.00506 -0.00591 -0.00111 -0.00206 139 5PX -0.00589 -0.28830 0.08894 -0.25692 -0.19647 140 5PY 0.15855 -0.03316 0.13014 -0.29101 -0.18435 141 5PZ -0.01936 -0.11829 0.10096 -0.04936 -0.06963 142 6PX -0.48047 0.01422 -0.00011 0.12598 0.17240 143 6PY 0.34042 -0.08226 0.17906 -0.41729 -0.81072 144 6PZ -0.26032 0.02736 -0.11034 0.05851 0.17416 145 7D 0 -0.02664 -0.02505 -0.01467 -0.00124 -0.02802 146 7D+1 0.05274 0.00971 0.03766 -0.03246 0.04844 147 7D-1 -0.00271 -0.05305 0.11974 0.10090 -0.01459 148 7D+2 0.04630 -0.05817 0.00031 -0.04693 0.03378 149 7D-2 -0.00042 -0.10094 -0.09772 0.04503 -0.01731 150 8D 0 0.01762 0.03611 0.01123 0.01639 0.04796 151 8D+1 -0.05537 -0.02221 -0.04680 0.03431 -0.07138 152 8D-1 0.00594 0.06874 -0.15429 -0.13597 0.02456 153 8D+2 -0.06258 0.06414 -0.00209 0.06976 -0.03765 154 8D-2 0.01477 0.13062 0.13576 -0.07710 0.02702 155 8 Cu 1S 0.02463 -0.07180 -0.03509 0.00184 -0.00454 156 2S 0.03331 -0.11235 -0.04248 0.00177 -0.02563 157 3S -0.31520 0.42125 2.32952 -0.15594 0.71782 158 4PX 0.00039 0.00033 -0.00005 0.00017 0.00207 159 4PY -0.00467 0.00144 0.00837 -0.00089 -0.01177 160 4PZ -0.00440 0.00398 0.01157 -0.00051 -0.00257 161 5PX -0.07749 0.02176 0.07463 0.19491 -0.06997 162 5PY 0.29429 -0.17684 -0.44058 0.07956 0.29268 163 5PZ -0.10023 -0.09199 -0.19134 -0.02623 -0.02997 164 6PX -0.10514 0.05444 0.31881 0.09727 0.08071 165 6PY 0.18535 -0.11964 -1.07690 0.14535 0.15197 166 6PZ -0.56244 0.22731 0.59333 -0.09650 0.84383 167 7D 0 -0.00997 0.26198 -0.06998 0.03778 -0.05557 168 7D+1 -0.00045 0.06741 -0.02474 -0.11532 -0.02780 169 7D-1 -0.01959 0.06692 0.06639 -0.06276 0.04365 170 7D+2 0.01265 -0.05930 -0.10246 -0.10617 0.01916 171 7D-2 0.00221 -0.01835 -0.01853 0.21066 0.01693 172 8D 0 0.01666 -0.33148 0.09444 -0.04490 0.08900 173 8D+1 -0.00189 -0.08321 0.03688 0.13188 0.04514 174 8D-1 0.02912 -0.09455 -0.09812 0.08506 -0.07473 175 8D+2 0.00046 0.07498 0.11926 0.15392 -0.02513 176 8D-2 0.00503 0.02167 0.01351 -0.31402 -0.02525 177 9 C 1S 0.03929 0.01095 -0.00021 0.00002 0.01511 178 2S -0.14405 0.17440 -0.00658 0.00331 0.86104 179 3S -2.29113 -0.70074 0.01426 -0.00577 -0.80111 180 4PX -0.26182 -0.05525 0.00055 0.01210 -0.05959 181 4PY 1.07770 0.22583 -0.01004 0.00539 0.24246 182 4PZ -0.24763 -0.05375 -0.01103 -0.00221 -0.05653 183 5PX 0.14452 0.07973 0.00234 -0.09129 0.19281 184 5PY -0.59726 -0.31756 0.02854 -0.02282 -0.77529 185 5PZ 0.13681 0.08369 0.08276 0.00921 0.18661 186 10 O 1S -0.08852 0.00054 -0.00004 -0.00002 0.02566 187 2S 0.25169 -0.01319 0.00022 0.00014 -0.00754 188 3S 0.81065 0.06768 -0.00129 0.00065 -0.30132 189 4PX -0.03938 -0.04671 0.01498 -0.33716 -0.14990 190 4PY 0.16464 0.19652 0.07265 -0.07250 0.63460 191 4PZ -0.03669 -0.04227 0.33186 0.03024 -0.13423 192 5PX -0.32109 0.01018 -0.01932 0.46333 0.24403 193 5PY 1.31616 -0.04942 -0.10468 0.10152 -1.03186 194 5PZ -0.30370 0.00566 -0.45327 -0.04204 0.21921 146 147 148 149 150 V V V V V EIGENVALUES -- 0.69228 0.69362 0.70538 0.71037 0.71154 1 1 Cu 1S -0.00190 0.00108 0.03219 0.00541 -0.00158 2 2S -0.00143 0.00098 0.00804 0.00162 -0.00045 3 3S -0.02550 0.03383 -2.06807 -0.38692 0.12001 4 4PX -0.00360 -0.03354 -0.00806 -0.00194 0.00463 5 4PY 0.00493 -0.00800 0.03773 0.00537 -0.00081 6 4PZ 0.03345 -0.00231 -0.00587 -0.00574 -0.00039 7 5PX 0.07802 0.67651 0.18818 0.07414 0.33167 8 5PY -0.08030 0.15234 -0.79420 -0.19152 0.12435 9 5PZ -0.68463 0.05872 0.19944 -0.30425 0.01713 10 6PX 0.07411 0.32392 -0.24957 -0.00133 0.58924 11 6PY -0.19281 0.16155 1.02748 0.05536 0.10971 12 6PZ -0.39517 0.02592 -0.21783 -0.56066 0.02279 13 7D 0 0.18242 -0.11025 0.12177 -0.15956 0.04782 14 7D+1 0.10909 0.26375 -0.00627 -0.09027 -0.08602 15 7D-1 0.14080 0.02745 0.05042 0.13560 -0.01776 16 7D+2 -0.14812 0.07413 0.12787 0.05529 0.06692 17 7D-2 -0.05267 0.02962 0.06112 0.00534 -0.20505 18 8D 0 -0.28581 0.16812 -0.17773 0.25572 -0.07235 19 8D+1 -0.17077 -0.39625 0.00583 0.14339 0.12179 20 8D-1 -0.19460 -0.04093 -0.06259 -0.23640 0.02502 21 8D+2 0.22136 -0.10220 -0.18054 -0.07439 -0.11928 22 8D-2 0.07709 -0.06508 -0.08362 -0.00239 0.34230 23 2 Cu 1S 0.05314 0.05474 -0.12831 -0.05482 -0.03342 24 2S 0.08421 0.08509 -0.24258 -0.09785 -0.05458 25 3S -1.67010 -1.93427 0.94984 1.04865 1.04675 26 4PX 0.00431 -0.00237 -0.00418 -0.00031 -0.00466 27 4PY 0.00635 0.00324 -0.00349 0.00570 0.00459 28 4PZ 0.00142 -0.00632 0.00344 0.00351 -0.00356 29 5PX 0.29653 0.32844 -0.14512 -0.11307 -0.09142 30 5PY -0.16505 -0.19357 0.10308 0.01706 0.01352 31 5PZ -0.14004 -0.18314 0.07927 0.05863 0.07919 32 6PX -0.04026 -0.26209 -0.08957 -0.14168 -0.34340 33 6PY -0.01247 -0.22097 -0.12221 0.31051 0.29606 34 6PZ 0.29889 0.03272 0.09381 0.21635 -0.08131 35 7D 0 -0.09744 0.09263 -0.04604 0.11807 0.01673 36 7D+1 0.16595 0.11843 -0.01422 0.00456 -0.04507 37 7D-1 -0.04507 -0.00043 0.06718 -0.11821 -0.02101 38 7D+2 -0.03884 -0.15660 0.02014 0.04192 -0.00267 39 7D-2 0.07227 0.00143 -0.06567 0.04696 0.19939 40 8D 0 0.16095 -0.13874 0.04903 -0.18595 -0.02899 41 8D+1 -0.21109 -0.13425 -0.00302 -0.02242 0.05185 42 8D-1 0.06691 0.00089 -0.09998 0.18479 0.04139 43 8D+2 0.03851 0.21783 -0.03561 -0.05312 0.01635 44 8D-2 -0.09847 0.01502 0.06620 -0.08827 -0.31304 45 3 Cu 1S 0.01527 0.00629 -0.03193 0.11339 0.13963 46 2S -0.00121 -0.01901 -0.05966 0.16093 0.20251 47 3S -0.43307 -0.26368 -0.96310 -3.83129 -4.19867 48 4PX -0.00459 -0.00311 0.00684 -0.01846 -0.01581 49 4PY -0.00262 -0.00203 0.00726 0.00099 0.00333 50 4PZ 0.00365 0.00457 -0.00665 0.00539 0.01754 51 5PX 0.26552 0.39313 0.09488 0.47907 0.84218 52 5PY -0.03498 -0.02995 -0.52870 0.03593 0.35422 53 5PZ -0.32792 -0.15107 0.20511 -0.73723 -0.45284 54 6PX 0.95092 0.92389 -0.06440 -0.04079 0.29787 55 6PY -1.54788 -1.89013 -0.20906 0.43738 0.89059 56 6PZ 0.11250 -0.09745 0.25035 -0.59783 -0.20181 57 7D 0 -0.04102 0.11457 -0.08949 0.10406 -0.07890 58 7D+1 -0.01059 0.01599 0.07349 -0.03259 0.07050 59 7D-1 0.10867 0.01640 0.08359 0.09432 -0.05116 60 7D+2 0.07731 0.10447 -0.00340 -0.09402 0.08450 61 7D-2 0.08582 -0.04179 -0.14185 -0.03307 0.01780 62 8D 0 0.04347 -0.15769 0.13935 -0.15505 0.16384 63 8D+1 0.03392 -0.02589 -0.11025 0.09558 -0.06303 64 8D-1 -0.16273 -0.00453 -0.14142 -0.14500 0.07836 65 8D+2 -0.09837 -0.16824 -0.00532 0.14416 -0.13915 66 8D-2 -0.13358 0.05129 0.22535 0.09605 0.00651 67 4 Cu 1S 0.00216 -0.01478 -0.03669 0.05533 -0.16988 68 2S -0.00708 0.01316 -0.06835 0.07862 -0.24404 69 3S -0.01704 0.46721 -0.84106 -2.05167 5.30512 70 4PX 0.00261 -0.00739 -0.01086 0.00949 -0.02245 71 4PY -0.00087 0.00020 0.00336 0.00381 -0.01295 72 4PZ 0.00001 -0.00364 -0.00412 -0.00466 -0.01161 73 5PX -0.06931 0.47867 0.19325 -0.21794 1.16911 74 5PY -0.05713 0.23408 -0.51764 -0.15322 0.12223 75 5PZ -0.18471 0.15233 0.19633 -0.46035 0.36487 76 6PX -0.09494 0.15300 0.23347 -0.02962 0.72803 77 6PY -0.75827 2.64654 -0.25004 0.27487 -0.73628 78 6PZ 0.24922 -0.14936 0.19564 -0.50836 0.22362 79 7D 0 -0.06583 -0.09984 -0.03495 0.08061 0.00851 80 7D+1 -0.08006 0.00645 -0.10121 0.09713 0.07109 81 7D-1 0.09721 -0.04280 0.00665 0.13439 0.03746 82 7D+2 0.06616 -0.07230 -0.13808 -0.10117 -0.01986 83 7D-2 -0.02124 -0.10334 0.09791 -0.02690 -0.01833 84 8D 0 0.08501 0.14097 0.05353 -0.12011 -0.07707 85 8D+1 0.09637 -0.00307 0.16101 -0.17944 -0.07800 86 8D-1 -0.16430 0.05185 -0.01806 -0.21093 -0.05155 87 8D+2 -0.09006 0.12303 0.21106 0.17260 0.01268 88 8D-2 0.04277 0.14638 -0.16474 0.01911 0.07311 89 5 Cu 1S -0.06804 0.01298 -0.14451 0.02555 -0.00114 90 2S -0.10520 0.01910 -0.26992 0.03734 -0.00145 91 3S 2.45155 -0.52685 1.42808 -1.18021 0.12349 92 4PX -0.00057 -0.00743 -0.00029 0.00081 -0.00607 93 4PY -0.00713 0.00025 -0.00284 -0.00781 0.00050 94 4PZ -0.00104 0.00089 -0.00581 0.00259 0.00032 95 5PX -0.10618 0.00814 -0.04955 0.01517 0.02130 96 5PY 0.15309 -0.03928 0.07440 0.02878 -0.00893 97 5PZ -0.50433 0.11586 -0.24266 0.12412 -0.00559 98 6PX -0.06640 -0.25632 -0.00643 0.08519 -0.26378 99 6PY 0.21716 -0.11528 -0.06234 -0.39730 0.01480 100 6PZ 0.28158 -0.03411 -0.19082 0.35151 -0.02972 101 7D 0 0.24443 -0.01272 0.05732 0.02562 -0.01768 102 7D+1 0.01918 -0.17054 0.02127 0.05934 0.01602 103 7D-1 0.01571 -0.02931 -0.03567 -0.23131 0.02754 104 7D+2 -0.00039 -0.00889 0.01850 -0.01774 -0.05258 105 7D-2 -0.00124 -0.03601 0.00458 -0.01304 0.14479 106 8D 0 -0.30792 0.00439 -0.05321 -0.06388 0.03013 107 8D+1 -0.01013 0.26243 -0.01408 -0.09686 -0.02499 108 8D-1 -0.02002 0.04402 0.02690 0.35660 -0.04297 109 8D+2 -0.01308 0.01511 -0.05190 0.02117 0.08037 110 8D-2 -0.00241 0.06135 -0.02200 0.01913 -0.21682 111 6 Cu 1S 0.00717 -0.00299 -0.18589 -0.03153 0.00797 112 2S 0.01058 -0.00443 -0.28739 -0.04880 0.01228 113 3S -0.16725 0.07806 3.14822 0.52294 -0.12690 114 4PX 0.00136 0.00949 -0.00589 -0.00074 0.00004 115 4PY -0.00293 0.00291 0.02308 0.00402 -0.00101 116 4PZ -0.00937 0.00051 -0.00572 -0.00067 0.00051 117 5PX -0.00440 -0.00232 0.26278 0.07100 0.30448 118 5PY 0.05261 -0.02121 -1.02737 -0.23709 0.12279 119 5PZ -0.00425 0.01350 0.28500 -0.27418 0.00023 120 6PX 0.11364 1.07433 0.09524 0.01964 -0.41300 121 6PY -0.18732 0.26647 -0.55084 -0.00105 -0.07250 122 6PZ -1.05349 0.05647 0.01893 0.41859 0.01442 123 7D 0 0.03372 0.00279 -0.07071 -0.05893 0.05554 124 7D+1 0.01145 -0.02864 0.01503 -0.02118 -0.15170 125 7D-1 -0.08058 0.00197 -0.04069 -0.18145 -0.01551 126 7D+2 0.01993 -0.04774 -0.15284 0.06299 -0.07901 127 7D-2 0.01836 0.07425 -0.07335 0.02333 0.09237 128 8D 0 -0.04710 -0.00539 0.08471 0.07127 -0.08202 129 8D+1 -0.01603 0.04621 -0.01636 0.02481 0.23598 130 8D-1 0.12246 -0.00395 0.03669 0.30229 0.02478 131 8D+2 -0.02878 0.07135 0.19033 -0.10719 0.13766 132 8D-2 -0.02773 -0.11091 0.08837 -0.04342 -0.17097 133 7 Cu 1S 0.02775 -0.07239 -0.12496 -0.04139 0.05364 134 2S 0.04561 -0.11306 -0.23730 -0.07372 0.09226 135 3S -0.76525 2.42167 0.83416 0.71806 -1.33899 136 4PX -0.00503 0.00377 0.00588 -0.00133 -0.00082 137 4PY 0.00184 -0.00494 -0.00131 0.00276 -0.00754 138 4PZ 0.00562 0.00451 0.00191 0.00514 0.00265 139 5PX -0.10647 0.32976 0.09516 0.08284 -0.12597 140 5PY -0.12008 0.40354 0.13913 0.06339 -0.06794 141 5PZ -0.01881 0.11233 0.03459 0.01006 -0.05809 142 6PX -0.03765 -0.34261 0.15449 -0.02381 -0.17221 143 6PY 0.03211 0.05613 -0.08580 0.19986 -0.50567 144 6PZ 0.27351 -0.06537 0.06753 0.21950 0.06772 145 7D 0 -0.06759 -0.11474 -0.03786 0.08447 -0.02981 146 7D+1 -0.14008 0.07446 -0.03161 0.07090 -0.03597 147 7D-1 -0.07473 0.05056 0.04060 -0.09938 -0.00677 148 7D+2 0.03335 0.11133 -0.05301 0.03020 -0.17500 149 7D-2 -0.04372 0.16439 0.07081 0.02882 0.12948 150 8D 0 0.12017 0.14126 0.02783 -0.13776 0.05825 151 8D+1 0.20615 -0.07469 0.06146 -0.10158 0.04579 152 8D-1 0.10864 -0.06460 -0.06036 0.15164 -0.00002 153 8D+2 -0.05813 -0.15395 0.05717 -0.04931 0.26538 154 8D-2 0.05347 -0.20833 -0.08738 -0.02872 -0.22312 155 8 Cu 1S -0.01487 0.00728 0.01195 -0.17944 0.03342 156 2S 0.01506 0.00225 0.00756 -0.26055 0.04743 157 3S 0.60884 -0.26716 -2.23733 5.20019 -0.94133 158 4PX 0.00042 0.00108 -0.00145 0.00491 0.00700 159 4PY 0.00481 -0.00066 0.00849 0.00490 0.00073 160 4PZ 0.00668 -0.00237 0.00215 0.02966 -0.00720 161 5PX -0.03795 0.15526 0.13822 0.03299 0.36439 162 5PY -0.02712 0.04007 -0.43211 -0.62418 0.19739 163 5PZ -0.57579 0.13691 0.28018 -1.12931 0.16799 164 6PX -0.69060 -0.04032 -0.02954 0.24530 0.42092 165 6PY 2.17370 -0.50843 0.05553 -1.07167 0.22750 166 6PZ -1.37555 0.36601 -0.10642 -0.35492 0.03947 167 7D 0 -0.07005 0.02932 -0.02293 0.00514 -0.05571 168 7D+1 -0.00394 -0.06156 0.03803 0.04950 0.19922 169 7D-1 0.00532 0.00592 -0.19229 -0.01495 0.05423 170 7D+2 -0.12409 0.08017 0.01271 -0.01503 0.05348 171 7D-2 -0.08870 -0.12450 -0.02345 -0.02277 -0.02180 172 8D 0 0.10979 -0.03731 0.00817 0.05251 0.08113 173 8D+1 -0.00283 0.05925 -0.06931 -0.05259 -0.33414 174 8D-1 0.00764 -0.01987 0.31389 -0.00551 -0.08156 175 8D+2 0.17385 -0.12451 -0.01993 -0.01847 -0.07165 176 8D-2 0.13127 0.19143 0.03873 0.00940 0.02368 177 9 C 1S -0.00380 0.00198 0.06643 0.01095 -0.00272 178 2S 0.01468 -0.00432 -0.50602 -0.09650 0.02513 179 3S -0.01479 0.00652 0.68495 0.12952 -0.03252 180 4PX 0.00630 0.01237 -0.00777 0.00837 0.10972 181 4PY -0.01058 0.00982 0.04648 -0.01765 0.02638 182 4PZ -0.01294 0.00231 0.00666 -0.10933 0.00368 183 5PX -0.05056 -0.28059 0.08552 -0.02226 -0.37504 184 5PY 0.09048 -0.09643 -0.36989 0.02340 -0.08104 185 5PZ 0.28020 -0.02147 0.04212 0.38357 -0.01889 186 10 O 1S -0.00041 0.00030 0.00126 0.00001 0.00000 187 2S -0.00203 0.00104 0.05119 0.00811 -0.00179 188 3S 0.01866 -0.01091 -0.30266 -0.04837 0.01157 189 4PX -0.02845 -0.26989 -0.10320 -0.03765 -0.21390 190 4PY 0.02166 -0.05089 0.41777 0.10987 -0.07093 191 4PZ 0.27457 -0.02535 -0.11813 0.20824 -0.00783 192 5PX 0.05077 0.45163 0.13278 0.05681 0.36369 193 5PY -0.04914 0.09230 -0.53748 -0.15735 0.11282 194 5PZ -0.45714 0.04092 0.15966 -0.35750 0.01486 151 152 153 154 155 V V V V V EIGENVALUES -- 0.76904 0.76961 0.77082 0.81594 0.81609 1 1 Cu 1S -0.00064 -0.00027 0.00075 -0.00162 0.00030 2 2S -0.00142 -0.00023 0.00098 -0.00128 0.00047 3 3S -0.00818 0.02471 -0.03827 0.10586 -0.01486 4 4PX -0.00027 0.01163 -0.00032 -0.00613 0.00815 5 4PY -0.00260 0.00246 0.00017 -0.00396 0.00039 6 4PZ -0.01176 -0.00080 0.00003 -0.00764 -0.00678 7 5PX 0.00516 -0.35788 0.00052 -0.01840 0.00892 8 5PY 0.07780 -0.07936 -0.00013 -0.01394 0.00372 9 5PZ 0.35240 0.02377 0.00048 -0.01656 -0.02174 10 6PX -0.01377 1.23931 0.01570 0.49950 -0.68700 11 6PY -0.25265 0.27837 -0.00661 0.26160 -0.05015 12 6PZ -1.23606 -0.08400 0.00101 0.66332 0.55274 13 7D 0 0.01830 -0.02595 -0.00090 -0.06066 -0.00269 14 7D+1 -0.00096 0.08840 0.00353 0.05632 -0.09535 15 7D-1 0.11348 0.02061 0.00156 -0.06733 -0.08280 16 7D+2 -0.05434 0.05284 0.00057 0.08219 0.00391 17 7D-2 -0.01516 -0.07288 -0.00158 -0.01422 0.04778 18 8D 0 -0.00828 0.04034 0.00180 0.07538 -0.00654 19 8D+1 0.01385 -0.14472 -0.00533 -0.09270 0.13789 20 8D-1 -0.22068 -0.03686 -0.00235 0.12319 0.14633 21 8D+2 0.09426 -0.10440 -0.00068 -0.13880 0.00376 22 8D-2 0.02554 0.15840 0.00345 0.04152 -0.09825 23 2 Cu 1S -0.03133 -0.04280 -0.00144 -0.00136 0.05694 24 2S -0.09018 -0.12457 -0.00355 -0.00157 0.10683 25 3S 0.54664 0.76158 0.02950 0.10098 -2.05821 26 4PX -0.00328 -0.00080 0.00124 0.00093 -0.00033 27 4PY -0.01018 -0.01215 0.00042 0.00151 -0.01228 28 4PZ 0.00244 0.00848 0.00130 0.00105 0.00553 29 5PX -0.03584 -0.08330 -0.00932 -0.02936 0.32696 30 5PY 0.17109 0.21869 0.00347 0.01803 -0.33755 31 5PZ -0.00366 -0.05460 -0.00327 -0.01265 -0.10961 32 6PX -0.00254 -0.36967 -0.04364 -0.09175 0.04914 33 6PY 0.26389 0.18815 -0.01347 -0.03799 -0.36847 34 6PZ 0.30400 -0.08563 -0.04060 -0.12604 0.10279 35 7D 0 0.03363 0.11208 0.08928 0.07642 0.09224 36 7D+1 0.09417 0.11391 -0.09802 -0.04274 -0.06082 37 7D-1 0.03614 0.06745 0.15751 0.04161 -0.02034 38 7D+2 0.06445 0.05051 -0.16271 -0.07339 0.08189 39 7D-2 0.07900 0.09131 0.04806 -0.02095 0.10199 40 8D 0 -0.05852 -0.18005 -0.14758 -0.13221 -0.11383 41 8D+1 -0.15229 -0.18177 0.15996 0.07347 0.10499 42 8D-1 -0.05425 -0.10957 -0.25581 -0.07104 0.01785 43 8D+2 -0.10569 -0.08170 0.26481 0.12393 -0.11117 44 8D-2 -0.12669 -0.15255 -0.07762 0.02891 -0.09890 45 3 Cu 1S 0.08919 0.12429 0.00137 -0.00098 -0.00075 46 2S 0.15426 0.21537 0.00200 -0.00316 0.03409 47 3S -1.81780 -2.52106 -0.07418 -0.12126 2.46445 48 4PX -0.00008 -0.00523 -0.00635 -0.00543 0.00108 49 4PY 0.00803 0.00842 -0.00311 -0.00391 0.01316 50 4PZ 0.00234 -0.00344 -0.00802 -0.00704 -0.00625 51 5PX 0.01094 0.23492 0.14742 0.12435 -0.17234 52 5PY -0.01363 0.09902 0.08204 0.09980 -0.51749 53 5PZ -0.24216 -0.04122 0.17992 0.14557 0.34212 54 6PX -0.19777 -0.02701 -0.11391 0.13629 0.96556 55 6PY 0.51552 0.90045 -0.06644 0.19618 -2.09765 56 6PZ -0.36641 -0.12607 -0.16097 0.21279 0.13380 57 7D 0 0.09406 -0.00740 0.05309 -0.20363 0.11408 58 7D+1 0.01902 0.01321 0.06159 0.02478 -0.00969 59 7D-1 -0.00920 0.07117 -0.13572 0.03267 -0.06790 60 7D+2 0.04744 0.05379 0.09153 0.04869 0.07016 61 7D-2 -0.03056 0.06313 -0.09853 0.08346 0.22975 62 8D 0 -0.15288 0.04679 -0.08234 0.33431 -0.16695 63 8D+1 -0.01308 0.00160 -0.09993 -0.03353 0.00152 64 8D-1 0.01254 -0.13090 0.21960 -0.06537 0.09744 65 8D+2 -0.07630 -0.09006 -0.14944 -0.07115 -0.09521 66 8D-2 0.09032 -0.06725 0.15772 -0.14726 -0.33826 67 4 Cu 1S 0.06443 -0.13849 -0.00141 0.00056 0.00114 68 2S 0.11163 -0.23973 -0.00137 0.03169 -0.01465 69 3S -1.31509 2.81514 0.05583 2.19603 -1.12153 70 4PX -0.00251 0.00010 -0.00458 -0.00574 0.00717 71 4PY 0.00548 -0.01091 0.00111 0.00925 -0.00617 72 4PZ 0.00335 0.00374 0.00958 -0.00761 -0.00608 73 5PX -0.02055 0.26727 0.11191 0.36569 -0.28851 74 5PY -0.02602 0.01138 -0.02775 -0.33917 0.19149 75 5PZ -0.22825 0.00990 -0.22059 0.29389 0.06758 76 6PX -0.06240 0.39052 -0.06360 -0.03327 -0.11388 77 6PY 0.37440 -0.90039 0.03393 -2.03472 1.06216 78 6PZ -0.35392 0.14099 0.19564 0.35538 0.13316 79 7D 0 0.08989 -0.02924 -0.06533 0.02612 -0.17885 80 7D+1 0.03903 0.05586 -0.02296 -0.03556 -0.15290 81 7D-1 -0.03220 -0.06054 0.17620 -0.00010 0.01107 82 7D+2 0.00173 -0.06434 -0.00093 0.23731 -0.02892 83 7D-2 0.04723 -0.02125 -0.08629 -0.11238 0.02001 84 8D 0 -0.14432 0.00604 0.10279 -0.03026 0.29175 85 8D+1 -0.08221 -0.08638 0.03442 0.07119 0.24382 86 8D-1 0.05482 0.10808 -0.28541 -0.00565 -0.03405 87 8D+2 0.01831 0.07745 0.00355 -0.34713 0.02761 88 8D-2 -0.09962 0.07024 0.13925 0.17692 -0.02093 89 5 Cu 1S 0.05144 -0.00424 -0.00202 -0.04569 -0.03287 90 2S 0.15070 -0.01278 -0.00414 -0.08568 -0.06223 91 3S -0.91282 0.07474 0.02093 1.68218 1.15882 92 4PX -0.00254 0.00408 -0.00174 -0.00112 -0.00287 93 4PY 0.01702 -0.00053 -0.00031 0.01139 0.00668 94 4PZ 0.00430 -0.00101 0.00014 0.00082 0.00102 95 5PX 0.06533 -0.04106 0.00555 -0.10284 -0.04659 96 5PY -0.27157 0.01589 -0.00023 0.23516 0.15950 97 5PZ 0.08283 0.00094 -0.00235 -0.30357 -0.21315 98 6PX 0.06964 -0.37655 0.04759 -0.14717 0.09504 99 6PY -0.25837 -0.05691 0.01671 0.30202 0.23116 100 6PZ 0.35450 0.02337 -0.00433 -0.01372 -0.04431 101 7D 0 0.08395 0.00354 -0.05095 -0.03485 -0.06639 102 7D+1 0.05779 -0.05510 0.19478 -0.05229 0.12785 103 7D-1 -0.05431 -0.00384 0.06242 -0.13352 -0.05103 104 7D+2 -0.19427 0.01246 0.08778 -0.05850 -0.02109 105 7D-2 -0.09301 0.00045 -0.13082 -0.03745 -0.01355 106 8D 0 -0.13492 -0.00559 0.08346 0.06269 0.11600 107 8D+1 -0.09421 0.08774 -0.31862 0.10885 -0.20561 108 8D-1 0.09230 0.00602 -0.10186 0.16146 0.04358 109 8D+2 0.31312 -0.01768 -0.14264 0.07255 0.01710 110 8D-2 0.15010 -0.00696 0.21129 0.04008 0.00960 111 6 Cu 1S 0.00018 -0.00014 -0.00096 0.00044 -0.00004 112 2S 0.00071 -0.00043 -0.00232 0.00129 -0.00019 113 3S 0.00144 0.00301 -0.01618 0.01424 0.00320 114 4PX 0.00011 -0.00555 0.00007 0.00506 -0.00599 115 4PY 0.00131 -0.00127 0.00001 0.00231 -0.00021 116 4PZ 0.00580 0.00037 -0.00003 0.00569 0.00523 117 5PX -0.00030 0.16844 0.00385 0.01315 -0.02079 118 5PY -0.03821 0.03859 0.00342 0.00619 -0.00289 119 5PZ -0.17165 -0.00836 -0.00221 0.02270 0.01606 120 6PX 0.00502 -0.42987 -0.00011 -0.55409 0.68158 121 6PY 0.09503 -0.09860 -0.00261 -0.28118 0.03318 122 6PZ 0.42490 0.03029 -0.00162 -0.65514 -0.59249 123 7D 0 0.13527 -0.04765 -0.00007 0.19470 0.09285 124 7D+1 0.05928 0.13329 -0.00077 0.01469 0.15328 125 7D-1 0.00371 0.01831 0.00051 -0.10708 -0.08837 126 7D+2 -0.06555 -0.00371 0.00054 0.02210 -0.08203 127 7D-2 -0.02288 0.07750 -0.00269 -0.16233 0.17135 128 8D 0 -0.23048 0.08152 0.00016 -0.30967 -0.14465 129 8D+1 -0.10099 -0.22742 0.00101 -0.01616 -0.24967 130 8D-1 -0.00668 -0.03145 -0.00044 0.15617 0.12654 131 8D+2 0.11184 0.00629 -0.00024 -0.02437 0.12753 132 8D-2 0.03864 -0.13212 0.00348 0.25015 -0.25907 133 7 Cu 1S -0.02290 0.04831 -0.00206 0.05384 -0.02405 134 2S -0.06571 0.14007 -0.00400 0.10163 -0.04468 135 3S 0.40335 -0.86122 0.01154 -1.90126 0.90808 136 4PX 0.00602 -0.00902 0.00091 0.00587 -0.00398 137 4PY -0.00609 0.01152 -0.00003 -0.00903 0.00509 138 4PZ -0.00051 -0.00717 -0.00162 0.00455 -0.00066 139 5PX -0.03000 0.03259 -0.00160 -0.17046 0.09010 140 5PY 0.12868 -0.25805 -0.00382 -0.40557 0.19252 141 5PZ 0.00917 0.06122 0.00742 -0.04478 -0.00095 142 6PX -0.05737 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0.06928 -0.04982 0.04922 -0.11423 0.00129 66 8D-2 0.17687 0.00169 -0.21369 -0.05876 -0.01067 67 4 Cu 1S 0.00636 0.00055 -0.02853 -0.01414 -0.03115 68 2S -0.00163 -0.00202 -0.01529 -0.00765 -0.02515 69 3S 0.41948 -0.11770 0.26631 0.12654 1.69870 70 4PX -0.00440 -0.00349 0.00764 0.00188 -0.00693 71 4PY -0.01690 -0.00042 0.01404 0.00647 -0.00098 72 4PZ -0.00005 0.00758 0.00005 0.00374 0.00855 73 5PX 0.01059 0.03856 0.14190 0.12449 0.50483 74 5PY -0.24636 -0.00731 0.20848 0.09218 0.19270 75 5PZ 0.03398 -0.15479 0.09697 -0.07633 0.01861 76 6PX -0.46256 0.00940 -0.33455 -0.19177 0.46380 77 6PY -0.44202 0.11837 -0.37370 -0.16983 0.91679 78 6PZ -0.15085 0.01563 -0.11121 -0.05037 0.08197 79 7D 0 -0.06956 -0.01210 0.01526 -0.15467 0.05774 80 7D+1 0.00785 -0.00365 0.08586 -0.11607 -0.01590 81 7D-1 -0.01256 0.03208 0.03554 0.04088 0.03726 82 7D+2 -0.12022 -0.01250 -0.03255 0.05944 0.00183 83 7D-2 0.03803 -0.01524 0.13254 0.03085 0.02373 84 8D 0 0.10466 0.00985 -0.02596 0.25794 -0.10579 85 8D+1 -0.01404 -0.00610 -0.13646 0.19698 0.03385 86 8D-1 0.01446 -0.05918 -0.05322 -0.06740 -0.05348 87 8D+2 0.17618 0.02381 0.07090 -0.09253 0.01199 88 8D-2 -0.06923 0.02608 -0.21015 -0.04498 -0.02556 89 5 Cu 1S 0.09325 -0.00068 0.00321 0.07228 0.00430 90 2S 0.20794 -0.00116 0.00727 0.15803 0.01036 91 3S -2.32579 0.02065 -0.06341 -1.63425 -0.05935 92 4PX -0.00492 0.00226 -0.00499 -0.00259 0.00071 93 4PY 0.01159 0.00076 0.00008 0.01142 0.00124 94 4PZ -0.01726 -0.00020 0.00048 -0.00226 -0.00021 95 5PX 0.03416 0.01302 -0.01547 0.09718 -0.07399 96 5PY 0.16078 0.00190 -0.01373 -0.23445 -0.02923 97 5PZ 0.46511 -0.00646 0.01705 0.32066 0.02366 98 6PX 0.07156 -0.03024 -0.39520 -0.04883 -0.07642 99 6PY -0.14084 0.00746 -0.04717 0.50494 -0.02619 100 6PZ 0.28204 0.00430 0.07357 0.20531 -0.01321 101 7D 0 0.11596 0.04818 0.00721 0.06770 0.02725 102 7D+1 0.06167 -0.19747 -0.01928 0.02691 -0.08940 103 7D-1 -0.05167 -0.01139 0.01183 -0.13582 -0.05787 104 7D+2 -0.12174 0.07158 0.08694 0.16594 -0.10175 105 7D-2 -0.06387 -0.23203 -0.18487 0.06579 0.22021 106 8D 0 -0.19125 -0.08450 -0.01476 -0.13430 -0.05232 107 8D+1 -0.09237 0.34545 0.03874 -0.05737 0.17025 108 8D-1 0.03559 0.01904 -0.02125 0.25728 0.10641 109 8D+2 0.20913 -0.12602 -0.15448 -0.27990 0.18746 110 8D-2 0.10146 0.40653 0.33063 -0.10800 -0.40316 111 6 Cu 1S -0.00461 -0.00099 -0.00061 -0.00183 -0.00101 112 2S 0.03455 -0.00201 -0.00098 -0.00244 -0.00162 113 3S 1.41068 0.00275 0.01282 0.06425 0.03269 114 4PX 0.00114 -0.00008 -0.01004 -0.00054 0.00177 115 4PY -0.00465 0.00006 -0.00219 -0.00257 0.00060 116 4PZ 0.00133 -0.00002 0.00118 -0.01014 -0.00026 117 5PX 0.06710 -0.00555 0.14540 0.01108 0.14664 118 5PY -0.27970 -0.00253 0.02889 0.02259 0.02570 119 5PZ 0.05959 0.00296 -0.01544 0.15201 -0.00151 120 6PX 0.00596 0.05053 -0.04110 0.00687 0.25362 121 6PY 0.04905 0.00501 -0.01408 -0.00864 0.05388 122 6PZ 0.01086 -0.01806 -0.01183 -0.03344 -0.01512 123 7D 0 -0.02851 0.00011 0.00707 -0.07238 -0.12709 124 7D+1 0.00761 0.00503 -0.02446 -0.04712 0.35833 125 7D-1 -0.02644 0.00018 -0.02731 0.15913 0.06211 126 7D+2 -0.04912 -0.00194 -0.07745 -0.03933 0.09097 127 7D-2 -0.02370 0.00535 0.16218 0.00253 -0.00302 128 8D 0 0.03276 0.00002 -0.01294 0.12267 0.23857 129 8D+1 -0.00995 -0.00809 0.04568 0.08147 -0.67040 130 8D-1 0.03259 -0.00098 0.04736 -0.27850 -0.11542 131 8D+2 0.05704 0.00243 0.13426 0.06873 -0.16350 132 8D-2 0.02711 -0.00704 -0.28050 -0.00409 -0.01006 133 7 Cu 1S 0.09527 -0.00043 -0.05897 -0.02835 -0.03242 134 2S 0.21329 -0.00012 -0.12881 -0.06207 -0.07843 135 3S -2.33927 0.05141 1.28198 0.59984 0.47725 136 4PX 0.00862 -0.00161 0.00222 0.00381 0.00299 137 4PY 0.02011 0.00094 -0.00874 -0.00398 -0.00796 138 4PZ 0.00185 0.00189 0.00478 -0.00273 0.00185 139 5PX -0.44588 0.00478 0.11110 0.05029 0.01822 140 5PY -0.10369 0.00906 0.31545 0.15680 0.14802 141 5PZ -0.18966 0.01032 0.02563 -0.01809 0.02776 142 6PX -0.21503 0.01557 0.25081 0.29718 -0.23710 143 6PY -0.21945 0.02080 -0.27834 -0.19372 0.02868 144 6PZ -0.06365 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0.01001 164 6PX 0.16234 -0.01658 0.00943 -0.10229 0.08114 165 6PY -0.23551 0.02403 0.04870 0.10700 -0.04262 166 6PZ 0.75140 -0.02490 -0.05484 -0.51181 0.09033 167 7D 0 0.01428 0.01044 -0.05009 -0.12669 -0.02038 168 7D+1 0.03492 -0.04431 0.16056 -0.05500 0.07471 169 7D-1 -0.10796 -0.01263 0.01105 0.06112 0.01723 170 7D+2 -0.06490 -0.01159 -0.03583 -0.02125 -0.00183 171 7D-2 -0.04800 0.00439 0.13454 -0.01004 0.00717 172 8D 0 -0.03289 -0.02160 0.08167 0.19194 0.03297 173 8D+1 -0.05497 0.08811 -0.26487 0.08932 -0.13284 174 8D-1 0.16524 0.02213 -0.01963 -0.11353 -0.02901 175 8D+2 0.09159 0.01888 0.05980 0.02764 0.00694 176 8D-2 0.07095 -0.00187 -0.22630 0.01238 -0.02254 177 9 C 1S -0.04838 0.00027 -0.00043 -0.00201 -0.00015 178 2S 1.18116 -0.00768 0.00941 0.05318 0.00086 179 3S -2.69557 0.01792 -0.02066 -0.11825 0.00264 180 4PX 0.09022 -0.00723 0.10644 0.00626 0.06678 181 4PY -0.37611 0.00207 0.02288 0.01338 0.01778 182 4PZ 0.08034 0.00189 -0.00829 0.11068 -0.00154 183 5PX 0.02547 0.02966 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-0.00256 0.05722 8 5PY -0.12671 1.07551 2.79326 -0.01599 0.02236 9 5PZ -0.36631 -0.24499 -0.62302 -0.09382 -0.00317 10 6PX 0.00686 0.00698 -0.22497 0.02829 -0.47681 11 6PY 0.03084 -0.13027 0.97963 0.08450 -0.09791 12 6PZ 0.15129 -0.04026 -0.18790 0.41456 0.04969 13 7D 0 0.05715 -0.06396 -0.00678 -0.07696 -0.00115 14 7D+1 0.03045 0.01373 0.00218 -0.04690 0.01626 15 7D-1 -0.07485 -0.05434 -0.00867 0.14596 0.02276 16 7D+2 0.00827 -0.11450 -0.01799 -0.03069 0.07328 17 7D-2 0.00374 -0.05933 -0.00877 0.00226 -0.15754 18 8D 0 -0.12298 0.12745 0.01768 0.12105 0.01115 19 8D+1 -0.06540 -0.02790 -0.00537 0.08083 -0.06100 20 8D-1 0.15314 0.10929 0.02088 -0.28857 -0.04811 21 8D+2 -0.01321 0.22752 0.04146 0.07452 -0.14203 22 8D-2 -0.00624 0.11838 0.02071 0.00139 0.29208 23 2 Cu 1S 0.02206 -0.11382 -0.04480 0.05637 0.08925 24 2S 0.05304 -0.22546 -0.09706 0.09618 0.15257 25 3S -0.29988 -0.15022 1.12440 -2.02577 -3.18026 26 4PX -0.00131 -0.00070 -0.00251 -0.00858 -0.00982 27 4PY 0.00517 0.00283 0.00086 0.00003 0.00193 28 4PZ -0.00231 -0.00078 0.00184 0.00289 0.00874 29 5PX 0.09077 0.09211 -0.14024 0.38661 0.53745 30 5PY -0.05730 -0.25122 0.32240 -0.34953 -0.59946 31 5PZ 0.04206 0.03543 -0.02518 -0.08181 -0.20384 32 6PX -0.06751 -0.14819 -0.16887 0.10809 0.23754 33 6PY -0.05700 0.22276 -0.01610 -0.25185 -0.38423 34 6PZ 0.14719 0.03091 0.12979 -0.04727 0.02217 35 7D 0 0.03261 -0.07794 0.06757 -0.08343 -0.08623 36 7D+1 0.07745 0.01626 -0.01014 -0.06339 -0.16976 37 7D-1 -0.11691 -0.08791 0.10533 -0.06301 0.03425 38 7D+2 0.13394 -0.15203 0.15090 0.05247 -0.03952 39 7D-2 -0.10033 -0.06053 0.01444 -0.11204 -0.13074 40 8D 0 -0.05684 0.14067 -0.15541 0.18504 0.20085 41 8D+1 -0.13989 -0.02381 0.02020 0.13100 0.34385 42 8D-1 0.21817 0.16158 -0.20354 0.11704 -0.07827 43 8D+2 -0.24970 0.27301 -0.31643 -0.09365 0.09409 44 8D-2 0.17995 0.10793 -0.06408 0.25319 0.31187 45 3 Cu 1S 0.01951 -0.00693 0.09800 -0.07991 -0.12918 46 2S 0.01651 -0.04018 0.11827 -0.17727 -0.28562 47 3S -1.04193 -1.66540 -2.89392 1.67586 2.70225 48 4PX 0.01031 -0.00451 -0.00965 0.01287 0.00486 49 4PY 0.00725 -0.01021 -0.00636 0.00657 0.00236 50 4PZ 0.01662 0.00829 0.01005 0.00374 -0.01469 51 5PX 0.07053 0.61171 -0.01719 0.26360 0.49277 52 5PY -0.12023 -0.48302 0.97550 -0.55225 -0.84558 53 5PZ -0.43389 -0.27075 -0.38236 -0.05283 0.01691 54 6PX 0.44387 0.34516 0.11486 0.72313 0.79293 55 6PY -0.44168 -0.61673 0.44435 -1.32992 -2.31492 56 6PZ -0.20822 0.00439 -0.27012 0.37530 0.08747 57 7D 0 0.03886 -0.05926 -0.08132 0.07337 0.05517 58 7D+1 -0.03809 0.01676 -0.13358 0.09945 0.17463 59 7D-1 -0.01113 -0.06911 -0.13990 0.07413 0.11611 60 7D+2 -0.05171 -0.12268 -0.10469 0.02036 0.05938 61 7D-2 -0.01949 -0.03914 -0.03307 0.00748 0.03893 62 8D 0 -0.07528 0.11598 0.19450 -0.16135 -0.14587 63 8D+1 0.07478 -0.01816 0.28356 -0.19297 -0.33857 64 8D-1 0.02009 0.13764 0.29942 -0.14258 -0.22186 65 8D+2 0.07485 0.23119 0.24494 -0.06137 -0.14830 66 8D-2 0.03822 0.07589 0.09902 -0.05028 -0.12931 67 4 Cu 1S 0.01137 -0.00765 0.09823 -0.06973 0.13522 68 2S 0.00844 -0.04137 0.11756 -0.15532 0.29854 69 3S -0.65028 -1.64981 -2.90232 1.44551 -2.83143 70 4PX -0.00881 0.01026 0.01393 -0.01163 0.01026 71 4PY 0.00352 -0.00692 -0.00161 0.00141 0.00036 72 4PZ 0.02145 0.00592 0.00626 0.00859 0.01226 73 5PX -0.02482 -0.41562 -0.48808 -0.02426 0.09146 74 5PY -0.12532 -0.69949 0.87374 -0.53093 1.02145 75 5PZ -0.40445 -0.11338 -0.30593 -0.01801 -0.10587 76 6PX -0.17044 -0.04449 -0.36152 -0.01935 -0.24452 77 6PY -0.40432 -0.67729 0.32943 -1.25982 2.55393 78 6PZ -0.08070 0.05439 -0.18860 0.46860 -0.20688 79 7D 0 0.02559 -0.05861 -0.15725 0.10766 -0.15623 80 7D+1 0.06275 0.01804 0.13815 -0.05994 0.17372 81 7D-1 0.02088 -0.06084 -0.07367 0.02979 -0.04606 82 7D+2 -0.03478 -0.10327 -0.04252 -0.01300 -0.01090 83 7D-2 -0.01299 -0.08277 -0.06626 0.01070 -0.01928 84 8D 0 -0.04985 0.12138 0.35545 -0.22474 0.34201 85 8D+1 -0.11549 -0.04483 -0.29432 0.11795 -0.33365 86 8D-1 -0.03350 0.11763 0.16346 -0.06241 0.09739 87 8D+2 0.05400 0.19239 0.12550 -0.01030 0.08669 88 8D-2 0.01120 0.15400 0.13925 -0.01480 0.02680 89 5 Cu 1S -0.03346 -0.11590 -0.04497 -0.10706 0.00487 90 2S -0.08150 -0.23045 -0.09754 -0.18272 0.00858 91 3S 0.55039 -0.12412 1.10962 3.81498 -0.17100 92 4PX 0.00227 -0.00058 -0.00038 0.00210 0.00304 93 4PY -0.00947 0.00243 -0.00013 0.00130 0.00061 94 4PZ 0.00132 -0.00073 -0.00333 0.01589 -0.00117 95 5PX -0.05124 0.06173 -0.08490 -0.23243 -0.04762 96 5PY 0.12532 -0.23938 0.30961 0.58049 -0.03780 97 5PZ -0.11095 0.09069 -0.14513 -0.77012 0.04289 98 6PX -0.01029 -0.05916 -0.02361 -0.12437 0.07326 99 6PY 0.16265 0.17530 -0.04657 0.42695 -0.00990 100 6PZ 0.21714 -0.17356 -0.20436 -0.28398 -0.00231 101 7D 0 -0.02478 -0.09425 0.10331 -0.16826 0.02664 102 7D+1 -0.01795 0.00920 0.00164 -0.09382 -0.06529 103 7D-1 0.02840 -0.04150 0.00395 0.10520 -0.03149 104 7D+2 -0.05353 -0.16091 0.15228 0.14530 -0.04574 105 7D-2 0.00917 -0.07528 0.06497 0.08134 0.06366 106 8D 0 0.05040 0.16628 -0.20528 0.34541 -0.05332 107 8D+1 0.03325 -0.01706 0.00726 0.20686 0.12850 108 8D-1 -0.04315 0.07071 -0.04375 -0.27002 0.06499 109 8D+2 0.09707 0.29329 -0.32099 -0.31712 0.09108 110 8D-2 -0.01585 0.13639 -0.14282 -0.18357 -0.12322 111 6 Cu 1S 0.00514 -0.29771 -0.06507 -0.00115 0.00021 112 2S 0.00854 -0.52657 -0.10025 -0.00189 0.00026 113 3S -0.13796 5.80036 1.02724 -0.01029 0.00592 114 4PX 0.00011 -0.00915 0.00124 -0.00003 -0.00001 115 4PY -0.00132 0.03759 -0.00506 -0.00016 -0.00001 116 4PZ -0.00180 -0.00852 0.00116 0.00007 -0.00009 117 5PX -0.00515 0.38100 0.01894 -0.01301 0.21055 118 5PY 0.00597 -1.56091 -0.08516 -0.04659 0.04574 119 5PZ -0.15042 0.34867 0.01933 -0.20939 -0.02119 120 6PX -0.00461 0.17250 0.14322 -0.05755 0.99779 121 6PY -0.03983 -0.68546 -0.60678 -0.23815 0.21903 122 6PZ -0.25797 0.16226 0.13063 -0.97944 -0.11009 123 7D 0 0.23740 0.10534 0.02120 0.11275 -0.01453 124 7D+1 0.09948 -0.01931 -0.00456 0.05477 0.04038 125 7D-1 0.21085 0.08463 0.01848 -0.11512 -0.00947 126 7D+2 -0.20571 0.16191 0.03701 -0.00055 -0.06060 127 7D-2 -0.06287 0.08490 0.01879 -0.01200 0.15344 128 8D 0 -0.45248 -0.22671 -0.05918 -0.22875 0.03087 129 8D+1 -0.19133 0.04189 0.01242 -0.11024 -0.08653 130 8D-1 -0.38018 -0.18225 -0.05030 0.22534 0.01748 131 8D+2 0.38466 -0.35279 -0.10248 0.00435 0.11929 132 8D-2 0.11778 -0.18500 -0.05222 0.02485 -0.30518 133 7 Cu 1S 0.01456 -0.11378 -0.04449 0.04851 -0.09307 134 2S 0.03496 -0.22524 -0.09619 0.08229 -0.15867 135 3S -0.20144 -0.14578 1.12170 -1.73864 3.34144 136 4PX -0.00088 -0.00087 0.00229 0.00726 -0.01102 137 4PY 0.00343 0.00272 0.00191 0.00309 -0.00640 138 4PZ -0.00178 -0.00070 0.00100 -0.00005 -0.00590 139 5PX -0.04112 0.03217 -0.01026 -0.19324 0.30875 140 5PY -0.05607 -0.26408 0.34684 -0.41183 0.81056 141 5PZ 0.06976 0.04399 -0.04103 0.01492 0.08398 142 6PX 0.07161 0.04409 0.19479 -0.00786 0.04621 143 6PY -0.01388 0.27004 0.05652 -0.24004 0.46667 144 6PZ 0.10606 0.00047 0.07406 -0.03711 -0.05981 145 7D 0 0.05936 -0.08130 0.07336 -0.09514 0.16884 146 7D+1 -0.00733 0.02269 -0.03689 0.02803 -0.10970 147 7D-1 -0.20526 -0.07604 0.08112 -0.07945 -0.05485 148 7D+2 0.01867 -0.13478 0.09674 -0.01963 0.09209 149 7D-2 0.12152 -0.09531 0.12649 0.09202 -0.09456 150 8D 0 -0.10511 0.14965 -0.16581 0.20638 -0.36743 151 8D+1 0.01512 -0.04540 0.07071 -0.05508 0.21747 152 8D-1 0.37926 0.13750 -0.16344 0.15590 0.10829 153 8D+2 -0.03924 0.23988 -0.23036 0.06472 -0.23454 154 8D-2 -0.22282 0.17148 -0.23977 -0.19492 0.21389 155 8 Cu 1S -0.03211 -0.00597 0.09720 0.15198 -0.00591 156 2S -0.02263 -0.03652 0.11518 0.33570 -0.01317 157 3S 1.85167 -1.59666 -2.90418 -3.17297 0.12782 158 4PX -0.00202 0.00153 -0.00001 -0.00068 -0.01383 159 4PY -0.00010 -0.01180 -0.00908 -0.00822 -0.00257 160 4PZ 0.00399 -0.00660 -0.01273 -0.01369 0.00272 161 5PX -0.03078 0.18156 -0.20224 -0.28498 0.07870 162 5PY -0.05414 -0.37240 1.02338 0.94182 -0.02645 163 5PZ -0.57599 0.69315 0.06253 -0.61785 0.01836 164 6PX -0.26153 0.18106 -0.07380 -0.70658 -0.29606 165 6PY 0.61635 -0.60304 0.50412 2.55309 -0.18502 166 6PZ -0.94341 0.39476 0.16398 -1.09794 0.11113 167 7D 0 0.00287 -0.07911 0.03097 0.10627 -0.01211 168 7D+1 0.00039 0.00587 0.03354 0.05207 0.03212 169 7D-1 -0.00948 -0.03151 0.04413 0.06145 0.00313 170 7D+2 0.07001 -0.11904 -0.20745 -0.21646 0.00781 171 7D-2 0.03046 -0.05642 -0.08556 -0.08412 0.01872 172 8D 0 0.02003 0.14021 -0.05973 -0.19885 0.02234 173 8D+1 0.00288 -0.01502 -0.08043 -0.12036 -0.05789 174 8D-1 0.02364 0.05563 -0.06424 -0.05249 -0.00885 175 8D+2 -0.11371 0.23589 0.46629 0.46431 -0.01757 176 8D-2 -0.04984 0.11141 0.19739 0.19264 -0.03472 177 9 C 1S 0.00033 0.00100 -0.00710 0.00013 -0.00014 178 2S -0.00262 -0.29140 -0.01977 0.00118 0.00128 179 3S -0.01068 0.90379 1.19788 -0.00347 0.00255 180 4PX 0.00301 -0.06224 -0.01933 0.00190 -0.01353 181 4PY -0.01910 0.24926 0.07556 0.00052 -0.00114 182 4PZ -0.06500 -0.06134 -0.01807 0.01730 0.00105 183 5PX -0.01281 -0.03676 -0.07735 -0.02407 0.41853 184 5PY 0.11564 0.17179 0.32266 -0.09853 0.09012 185 5PZ 0.54286 -0.02165 -0.07105 -0.42417 -0.04484 186 10 O 1S 0.00005 0.00027 -0.00089 -0.00003 0.00000 187 2S 0.00003 -0.06554 0.05198 0.00092 -0.00002 188 3S -0.00166 0.11415 -0.14549 -0.00077 -0.00024 189 4PX -0.00522 -0.03174 -0.02729 -0.00476 0.09759 190 4PY 0.04893 0.13730 0.11604 -0.02529 0.02202 191 4PZ 0.22683 -0.02617 -0.02298 -0.10051 -0.01018 192 5PX 0.01202 0.00488 0.07433 0.01425 -0.26822 193 5PY -0.10940 -0.03488 -0.31253 0.06510 -0.05917 194 5PZ -0.49592 -0.00431 0.06493 0.27395 0.02818 166 167 168 169 170 V V V V V EIGENVALUES -- 0.97255 0.97361 1.01136 1.04197 1.06311 1 1 Cu 1S 0.00003 -0.00085 0.01797 -0.01622 0.00065 2 2S 0.00315 -0.00216 0.32318 -0.05359 0.00502 3 3S 0.04502 -0.03146 1.35810 -1.30202 0.04028 4 4PX -0.02736 -0.00324 -0.01345 0.00357 0.05108 5 4PY -0.00585 0.00359 0.05477 -0.01025 0.01250 6 4PZ -0.00260 0.02675 -0.01299 0.00331 -0.00125 7 5PX 0.99221 0.11141 -0.15274 -0.19738 -0.80917 8 5PY 0.22324 -0.11555 0.58420 0.73604 -0.17691 9 5PZ 0.08668 -1.00047 -0.13714 -0.18013 0.00525 10 6PX 0.86019 0.09403 -0.02602 -0.03404 -0.05102 11 6PY 0.21137 -0.15158 0.09989 0.21185 -0.01340 12 6PZ 0.05950 -0.90956 -0.00795 -0.00482 -0.00937 13 7D 0 0.03002 -0.01400 0.04795 0.04807 -0.06502 14 7D+1 -0.09150 -0.01025 -0.00617 -0.00953 0.16053 15 7D-1 -0.00478 -0.12453 0.03252 0.04493 0.01846 16 7D+2 -0.06262 0.05229 0.07423 0.09098 -0.00573 17 7D-2 0.07512 0.02700 0.03611 0.05005 0.09657 18 8D 0 -0.04453 0.01568 -0.04779 -0.05816 0.12597 19 8D+1 0.14008 0.01091 0.00323 0.01109 -0.31600 20 8D-1 0.00592 0.20390 -0.02628 -0.05629 -0.03701 21 8D+2 0.10090 -0.07880 -0.06747 -0.11541 0.00278 22 8D-2 -0.12923 -0.04208 -0.03097 -0.06473 -0.17044 23 2 Cu 1S 0.02416 0.02563 -0.05641 0.04181 0.01996 24 2S 0.02198 0.02796 -0.17011 0.08252 0.02629 25 3S -1.78192 -1.62258 -0.04692 -0.46533 -0.55254 26 4PX -0.00978 -0.01302 -0.01384 -0.00373 -0.00415 27 4PY 0.00048 -0.00181 -0.01447 -0.00529 -0.00380 28 4PZ 0.01245 0.00544 0.01679 0.00427 -0.00723 29 5PX 0.35417 0.46166 0.21145 0.11690 0.11961 30 5PY -0.19756 -0.11057 0.21768 -0.26779 -0.37415 31 5PZ -0.35666 -0.12861 -0.25102 0.02744 0.23961 32 6PX -0.23789 0.03445 -0.03851 -0.12991 -0.07084 33 6PY -0.14433 0.00907 -0.03843 -0.09896 -0.03477 34 6PZ -0.07593 0.30681 0.04910 0.11698 0.00110 35 7D 0 0.12228 -0.19612 0.02160 -0.05720 -0.19928 36 7D+1 -0.09896 -0.07769 -0.20118 -0.06617 0.06370 37 7D-1 -0.18573 -0.07929 -0.15453 0.05400 -0.07108 38 7D+2 -0.10991 -0.06073 0.01740 0.04077 -0.09264 39 7D-2 -0.04799 0.13086 0.11987 -0.11708 0.01097 40 8D 0 -0.24274 0.39984 -0.04443 0.13857 0.44374 41 8D+1 0.20535 0.15810 0.41218 0.13173 -0.12636 42 8D-1 0.37527 0.16737 0.31378 -0.13213 0.15056 43 8D+2 0.22990 0.12289 -0.03847 -0.07782 0.21039 44 8D-2 0.09858 -0.25954 -0.24391 0.28418 -0.00492 45 3 Cu 1S 0.06361 0.06265 0.03304 0.03317 0.02508 46 2S 0.06317 0.06513 0.04508 0.07380 -0.02024 47 3S -2.12024 -2.07756 -0.44545 -0.27260 -1.74773 48 4PX -0.01393 -0.01630 -0.01050 0.00028 -0.01670 49 4PY 0.00257 0.00015 0.00634 -0.00911 -0.00044 50 4PZ 0.01249 0.00788 0.00501 0.00426 0.01756 51 5PX 0.99951 0.71411 -0.01325 0.33886 1.28203 52 5PY -0.20558 -0.30929 0.22620 -0.38947 -0.53625 53 5PZ -0.39745 -0.70633 -0.09187 -0.06941 -0.44780 54 6PX 0.89543 0.71528 0.04606 0.52091 0.55307 55 6PY -0.75911 -0.77486 0.14366 -0.44059 -0.32313 56 6PZ -0.20915 -0.41062 -0.10502 -0.19509 -0.19673 57 7D 0 -0.07448 0.04036 0.00652 0.03391 -0.07111 58 7D+1 -0.02973 -0.08230 -0.01708 -0.09513 -0.07701 59 7D-1 -0.06904 -0.02836 -0.03480 0.05312 -0.01121 60 7D+2 0.01438 -0.06186 -0.01245 0.13864 -0.01994 61 7D-2 0.01831 -0.01439 0.02730 0.01736 0.07111 62 8D 0 0.16022 -0.09301 0.00569 -0.06657 0.15896 63 8D+1 0.08583 0.20076 0.04588 0.18614 0.19154 64 8D-1 0.13655 0.04527 0.07917 -0.10266 0.02146 65 8D+2 -0.06165 0.11156 0.04504 -0.27682 -0.01453 66 8D-2 -0.02949 0.03770 -0.03214 -0.04035 -0.17780 67 4 Cu 1S -0.08388 0.03033 0.03607 0.03108 -0.02780 68 2S -0.08456 0.03386 0.04853 0.07303 0.02345 69 3S 2.79340 -0.97620 -0.54652 -0.17139 1.99766 70 4PX -0.01996 0.00850 0.00884 0.00362 -0.02378 71 4PY -0.01051 0.00250 0.01051 -0.00861 -0.00783 72 4PZ -0.00868 -0.00092 0.00281 0.00277 -0.01224 73 5PX 1.11926 -0.23641 -0.14045 -0.11202 1.14601 74 5PY 0.80660 -0.26915 0.18618 -0.44568 1.24210 75 5PZ 0.30422 -0.39549 -0.08654 0.01466 0.20321 76 6PX 0.68447 -0.15570 -0.15493 -0.31508 0.46226 77 6PY 1.41719 -0.40859 0.08013 -0.60472 0.62638 78 6PZ 0.08754 -0.21650 -0.07484 -0.07189 0.08710 79 7D 0 0.08239 0.02631 -0.00988 0.00459 0.08526 80 7D+1 -0.05083 0.09424 0.02994 0.03268 -0.04647 81 7D-1 0.04223 0.03777 -0.01720 0.06569 -0.01955 82 7D+2 -0.02014 -0.03696 0.02268 0.11481 -0.05552 83 7D-2 0.02625 -0.01674 -0.03191 0.11735 0.04010 84 8D 0 -0.18496 -0.05667 0.04572 -0.01124 -0.18941 85 8D+1 0.11986 -0.21014 -0.07211 -0.06193 0.10678 86 8D-1 -0.07406 -0.09258 0.04204 -0.12719 0.05495 87 8D+2 0.06434 0.07626 -0.02039 -0.23017 0.18190 88 8D-2 -0.01426 0.02596 0.06342 -0.22823 -0.05308 89 5 Cu 1S 0.00623 -0.02910 -0.05687 0.04341 0.00209 90 2S 0.00353 -0.02448 -0.17106 0.08401 0.00145 91 3S -0.54993 2.28139 -0.04119 -0.54313 -0.04104 92 4PX 0.00516 0.00301 0.00128 0.00034 -0.01438 93 4PY -0.00010 0.00498 -0.01847 -0.00649 -0.00297 94 4PZ -0.00558 0.01903 -0.01845 -0.00498 0.00247 95 5PX -0.15266 -0.15080 -0.01903 0.08056 0.22563 96 5PY -0.05255 0.06934 0.28456 -0.27886 -0.01361 97 5PZ 0.18841 -0.65588 0.27543 0.13297 -0.03740 98 6PX -0.32797 -0.06660 0.00372 -0.00261 -0.08404 99 6PY -0.09971 0.09492 -0.04283 -0.12235 -0.02036 100 6PZ 0.01369 0.18981 -0.04836 -0.15964 0.00775 101 7D 0 0.04277 0.02746 0.11626 0.09739 -0.07405 102 7D+1 -0.18236 -0.03905 -0.00009 0.05635 0.21773 103 7D-1 0.02575 -0.14240 0.22405 -0.10447 0.02584 104 7D+2 0.00362 0.22140 -0.11850 -0.02489 -0.03339 105 7D-2 -0.20118 0.02559 -0.01604 -0.02713 0.09978 106 8D 0 -0.08734 -0.05558 -0.23995 -0.20548 0.15750 107 8D+1 0.37148 0.08140 -0.00034 -0.12945 -0.46672 108 8D-1 -0.04973 0.28841 -0.45731 0.26560 -0.05251 109 8D+2 -0.00148 -0.45700 0.23979 0.05766 0.07706 110 8D-2 0.40174 -0.05745 0.03192 0.06630 -0.21987 111 6 Cu 1S 0.00092 -0.00099 0.01795 -0.12554 0.00500 112 2S 0.00136 -0.00158 0.02953 -0.24486 0.00909 113 3S -0.04137 0.07549 -0.12303 3.10854 -0.10021 114 4PX -0.00253 -0.00030 0.00072 -0.00619 -0.00999 115 4PY -0.00081 0.00069 -0.00256 0.02438 -0.00344 116 4PZ -0.00008 0.00246 0.00079 -0.00577 0.00067 117 5PX 0.49378 0.06659 -0.03163 0.21741 0.68886 118 5PY 0.13840 -0.11339 0.08496 -0.80342 0.19454 119 5PZ 0.03205 -0.50222 -0.02993 0.21498 -0.03051 120 6PX 0.28542 0.04625 0.02103 0.05504 0.03391 121 6PY 0.07750 -0.05204 -0.09666 -0.22467 0.01464 122 6PZ 0.01977 -0.25415 0.01752 0.05358 -0.00897 123 7D 0 -0.06652 0.13988 -0.00500 0.13965 -0.01465 124 7D+1 0.10679 0.08347 0.00102 -0.03141 -0.00881 125 7D-1 0.01339 -0.03261 -0.00722 0.12387 -0.01628 126 7D+2 -0.01992 -0.04921 -0.00942 0.24700 -0.08727 127 7D-2 0.11911 0.00021 -0.00726 0.13358 0.17296 128 8D 0 0.14117 -0.30911 0.01189 -0.30179 0.03672 129 8D+1 -0.21685 -0.18356 -0.00265 0.06880 0.01323 130 8D-1 -0.02864 0.10224 0.01695 -0.27063 0.03665 131 8D+2 0.05933 0.09760 0.02239 -0.53546 0.20614 132 8D-2 -0.28221 -0.00646 0.01756 -0.29097 -0.41521 133 7 Cu 1S -0.03439 0.01138 -0.05636 0.04109 -0.02147 134 2S -0.03582 0.01396 -0.17081 0.08145 -0.02866 135 3S 2.29579 -0.64335 -0.07903 -0.43562 0.64762 136 4PX -0.01602 0.00698 0.02289 0.00644 -0.00153 137 4PY -0.00640 0.00122 -0.00680 -0.00303 0.00230 138 4PZ -0.00847 -0.00267 0.01144 0.00300 0.00518 139 5PX 0.45996 -0.20795 -0.34961 0.00682 -0.16744 140 5PY 0.43816 -0.10282 0.09462 -0.27364 0.45813 141 5PZ 0.22369 0.10966 -0.17119 0.03336 -0.21215 142 6PX -0.25346 -0.06201 0.07327 0.18293 -0.07872 143 6PY 0.03775 0.03795 -0.01874 -0.03689 0.00210 144 6PZ 0.00487 0.33504 0.03154 0.07441 0.00705 145 7D 0 0.06585 -0.20616 -0.08705 -0.07071 0.13303 146 7D+1 -0.19639 -0.11162 0.19865 0.01768 0.06135 147 7D-1 0.10440 0.03119 -0.04064 0.03745 0.08518 148 7D+2 0.01214 0.08492 0.16697 -0.05053 0.11570 149 7D-2 0.12216 -0.09382 -0.07215 0.13168 0.11414 150 8D 0 -0.14094 0.41725 0.17796 0.16027 -0.30850 151 8D+1 0.40172 0.22522 -0.40606 -0.02418 -0.12570 152 8D-1 -0.21156 -0.05525 0.08176 -0.08334 -0.18276 153 8D+2 -0.03020 -0.17238 -0.34236 0.14341 -0.27358 154 8D-2 -0.24929 0.18710 0.14441 -0.29827 -0.23751 155 8 Cu 1S 0.01886 -0.08813 0.03192 0.03642 0.00343 156 2S 0.01901 -0.09141 0.04377 0.07417 -0.00396 157 3S -0.62336 2.95769 -0.39354 -0.44050 -0.25082 158 4PX 0.00253 0.00411 -0.00284 0.00179 0.00557 159 4PY 0.00045 0.00251 0.00461 -0.01027 0.00070 160 4PZ -0.00619 0.02526 -0.01166 -0.00286 -0.00450 161 5PX 0.34002 -0.16713 -0.05785 0.15460 0.40582 162 5PY 0.03448 0.10663 0.23749 -0.36029 0.03588 163 5PZ 0.27003 -1.42988 -0.01750 0.47330 0.13754 164 6PX 0.25671 -0.31076 -0.03032 0.16955 0.12067 165 6PY -0.16224 0.79509 0.17816 -0.36743 0.01249 166 6PZ 0.25917 -1.23448 0.04650 0.63527 0.05338 167 7D 0 -0.02252 -0.03776 -0.00407 0.15494 -0.01409 168 7D+1 0.10571 0.00975 -0.00717 0.02137 0.05848 169 7D-1 0.03165 -0.04065 0.04025 0.04437 -0.00143 170 7D+2 -0.00645 0.09426 -0.02358 0.07011 -0.06094 171 7D-2 0.00357 0.03460 -0.00476 0.03978 0.12897 172 8D 0 0.03876 0.13147 0.00733 -0.30867 0.03555 173 8D+1 -0.23577 -0.01078 0.00660 -0.04279 -0.17304 174 8D-1 -0.06803 0.08186 -0.06358 -0.09471 -0.01033 175 8D+2 0.00799 -0.18624 0.07728 -0.14081 0.12452 176 8D-2 -0.00628 -0.06777 0.02539 -0.08051 -0.29053 177 9 C 1S 0.00038 -0.00006 0.03763 0.01203 -0.00002 178 2S 0.00380 -0.01491 -0.73941 -0.50571 -0.00144 179 3S -0.02912 0.06944 1.22965 1.35931 0.00512 180 4PX -0.13551 -0.02106 0.09721 0.02232 -0.02863 181 4PY -0.04425 0.03278 -0.38635 -0.09837 -0.00564 182 4PZ -0.00975 0.13784 0.09216 0.01941 0.00051 183 5PX 0.23521 0.03467 -0.18001 -0.08106 0.29811 184 5PY 0.06177 -0.03300 0.70563 0.37129 0.07543 185 5PZ 0.02148 -0.24594 -0.16518 -0.06951 -0.00480 186 10 O 1S 0.00004 -0.00019 -0.00225 -0.00503 0.00009 187 2S 0.00066 0.00152 0.04468 0.05960 -0.00145 188 3S -0.00033 -0.00465 -0.14509 -0.16725 0.00241 189 4PX 0.12280 0.01681 -0.00338 -0.00905 0.07426 190 4PY 0.02864 -0.01885 0.00205 0.04944 0.01838 191 4PZ 0.01059 -0.12606 -0.00210 -0.00532 -0.00122 192 5PX -0.23480 -0.03347 0.06483 0.03574 -0.19523 193 5PY -0.05996 0.03752 -0.24048 -0.17633 -0.04720 194 5PZ -0.01967 0.24333 0.05767 0.02670 0.00265 171 172 173 174 175 V V V V V EIGENVALUES -- 1.06625 1.08916 1.09009 1.12217 1.12337 1 1 Cu 1S -0.00188 0.00010 -0.00031 0.00158 -0.00081 2 2S -0.01114 0.00069 -0.00237 0.00614 -0.00264 3 3S -0.04726 0.02788 -0.07637 -0.04001 0.01821 4 4PX 0.00180 -0.00700 -0.00040 0.00077 0.00301 5 4PY -0.01168 -0.00165 0.00215 -0.00074 0.00138 6 4PZ -0.05215 0.00054 0.00797 -0.00229 0.00014 7 5PX -0.02299 0.62990 -0.02525 0.00149 -0.00918 8 5PY 0.13322 0.13046 -0.13386 0.04067 -0.02169 9 5PZ 0.84039 -0.05916 -0.66468 -0.02650 0.02400 10 6PX -0.02002 0.81087 -0.03249 0.13122 0.69640 11 6PY 0.01793 0.18347 -0.19248 -0.13685 0.19516 12 6PZ 0.10561 -0.07524 -0.81524 -0.75601 0.10415 13 7D 0 0.16269 0.02524 -0.03321 -0.17157 0.05566 14 7D+1 0.07611 -0.06453 -0.00932 -0.10023 -0.02161 15 7D-1 0.01503 -0.01982 -0.05849 0.20582 -0.02152 16 7D+2 -0.07733 -0.01935 0.04145 0.01049 0.10841 17 7D-2 -0.02384 0.01489 0.00451 -0.03894 -0.25706 18 8D 0 -0.31048 -0.04938 0.05556 0.40653 -0.13390 19 8D+1 -0.14333 0.12031 0.01442 0.23589 0.05974 20 8D-1 -0.04813 0.03899 0.11877 -0.47383 0.05071 21 8D+2 0.15333 0.03865 -0.07707 -0.02557 -0.25240 22 8D-2 0.04759 -0.03435 -0.00576 0.09090 0.60113 23 2 Cu 1S 0.01381 0.03835 0.02683 0.02341 0.01836 24 2S 0.02025 0.07520 0.05323 0.06129 0.05317 25 3S -0.43502 -0.92129 -0.56640 -0.80114 -0.69383 26 4PX 0.00763 -0.00424 -0.01098 -0.00635 -0.00941 27 4PY 0.00277 0.00322 -0.00245 0.01257 0.00983 28 4PZ 0.00874 0.01076 -0.00473 0.00566 -0.00058 29 5PX -0.07199 0.15472 0.27766 0.10398 0.12751 30 5PY -0.39702 -0.10499 0.04401 -0.31963 -0.27010 31 5PZ -0.02223 -0.26557 0.07450 -0.03149 0.05369 32 6PX 0.00520 -0.16052 0.01595 0.09321 -0.06607 33 6PY -0.00362 0.00412 0.07366 0.13273 0.04385 34 6PZ 0.07990 -0.02059 0.15914 0.07918 -0.15643 35 7D 0 0.11840 0.05691 -0.07497 -0.03885 -0.02988 36 7D+1 -0.00288 -0.08341 0.05074 0.00163 0.04152 37 7D-1 -0.04607 0.10588 -0.08728 0.12662 0.05806 38 7D+2 -0.17106 -0.02435 0.15768 -0.01484 0.02369 39 7D-2 -0.12233 -0.00253 -0.03581 -0.08538 -0.11548 40 8D 0 -0.24369 -0.12378 0.17064 0.08048 0.06030 41 8D+1 0.00990 0.18872 -0.11371 -0.01120 -0.10459 42 8D-1 0.10366 -0.23454 0.19923 -0.28095 -0.12092 43 8D+2 0.37430 0.06093 -0.35193 0.04099 -0.04996 44 8D-2 0.28434 0.00862 0.08241 0.17523 0.24476 45 3 Cu 1S 0.01576 0.04679 0.03178 0.00802 0.00637 46 2S -0.01922 0.05057 0.03822 -0.05397 -0.05626 47 3S -1.28378 -1.77266 -1.10491 -1.20547 -1.15103 48 4PX -0.01729 -0.00475 -0.00815 -0.02395 -0.00014 49 4PY -0.00342 -0.00737 -0.00807 -0.00268 0.01018 50 4PZ 0.00684 0.01398 0.00002 -0.01054 0.02175 51 5PX 0.72607 0.58575 0.17853 0.76821 0.81029 52 5PY -0.61564 0.01396 -0.05260 -0.42876 -0.38343 53 5PZ -0.69170 -0.26611 -0.36805 -0.44422 -0.32317 54 6PX 0.36620 0.44673 0.23244 0.15434 0.19739 55 6PY -0.32784 -0.23121 -0.17405 -0.15139 -0.06047 56 6PZ -0.25615 -0.19286 -0.18187 -0.17283 -0.04567 57 7D 0 0.07626 0.01327 -0.02339 -0.10730 -0.02058 58 7D+1 -0.04237 -0.20614 -0.01413 -0.19584 -0.13591 59 7D-1 -0.09514 0.06988 -0.15699 0.04518 -0.08244 60 7D+2 0.02160 -0.00377 0.17343 -0.02178 0.03920 61 7D-2 -0.05085 0.04266 -0.06924 -0.00998 -0.11394 62 8D 0 -0.21159 0.00415 0.01732 0.18934 0.07614 63 8D+1 0.12652 0.46148 0.04964 0.47659 0.31680 64 8D-1 0.19155 -0.15757 0.34092 -0.10134 0.19720 65 8D+2 -0.06121 -0.01125 -0.36979 0.04759 -0.12945 66 8D-2 0.10731 -0.09148 0.17688 0.01660 0.22460 67 4 Cu 1S 0.01089 -0.05064 0.02691 0.00162 -0.00849 68 2S -0.01127 -0.05412 0.03252 -0.01986 0.07883 69 3S -0.84399 1.90157 -0.95333 -0.38743 1.60523 70 4PX 0.01301 -0.01252 0.00992 0.01457 -0.01181 71 4PY 0.00217 0.00416 -0.00409 0.00017 -0.01256 72 4PZ -0.00163 -0.01005 -0.00361 -0.02507 -0.00992 73 5PX -0.32446 0.63078 -0.19490 -0.17556 0.88428 74 5PY -0.60991 0.27120 -0.11460 -0.24654 0.96844 75 5PZ -0.45579 0.12096 -0.29744 -0.15368 0.22391 76 6PX -0.15667 0.37800 -0.15511 -0.00601 0.20628 77 6PY -0.32293 0.44029 -0.20792 -0.03206 0.23708 78 6PZ -0.14175 0.08421 -0.10916 -0.10723 0.05496 79 7D 0 0.05892 0.08874 -0.02455 -0.10614 0.16978 80 7D+1 0.09553 -0.13224 0.01316 0.00381 -0.15974 81 7D-1 -0.08393 -0.13437 -0.19552 0.10179 0.01057 82 7D+2 -0.00454 -0.07166 0.08799 0.00926 0.00364 83 7D-2 0.04572 -0.03302 0.12385 -0.02669 -0.10924 84 8D 0 -0.15571 -0.22268 0.03128 0.19926 -0.39082 85 8D+1 -0.24556 0.28155 -0.06546 -0.06027 0.37266 86 8D-1 0.15657 0.29634 0.41977 -0.24898 -0.02148 87 8D+2 0.00510 0.16595 -0.17370 -0.00764 0.04525 88 8D-2 -0.11075 0.09038 -0.28431 0.06008 0.25377 89 5 Cu 1S -0.02469 0.00235 -0.04565 -0.02953 0.01021 90 2S -0.03226 0.00528 -0.08874 -0.08305 0.02632 91 3S 0.66426 -0.09596 1.09289 1.02456 -0.33221 92 4PX -0.00232 0.01162 0.00218 0.00271 -0.00865 93 4PY 0.00052 0.00293 0.00125 -0.01386 0.00197 94 4PZ -0.00090 -0.00293 0.01153 0.01299 -0.00271 95 5PX -0.08420 -0.24935 -0.06154 -0.07548 0.13422 96 5PY 0.55419 -0.06405 -0.01689 0.37093 -0.08019 97 5PZ -0.02510 0.06411 -0.34644 -0.17830 0.04579 98 6PX -0.00442 -0.18480 0.01674 -0.03695 -0.21314 99 6PY 0.04992 -0.03990 -0.02417 -0.15101 -0.01133 100 6PZ 0.06763 0.02341 0.13809 -0.01996 0.03677 101 7D 0 0.12018 0.05365 -0.07846 -0.03160 -0.00462 102 7D+1 0.02336 -0.18095 -0.02731 -0.02785 0.06173 103 7D-1 0.06939 -0.06166 0.00503 0.18839 -0.02627 104 7D+2 0.15488 -0.06685 -0.04221 -0.03808 0.05246 105 7D-2 0.09103 0.09756 -0.01269 -0.01123 -0.07528 106 8D 0 -0.25170 -0.11975 0.17458 0.05064 0.01666 107 8D+1 -0.04014 0.40738 0.06276 0.05172 -0.14011 108 8D-1 -0.17194 0.13777 -0.01427 -0.40361 0.05247 109 8D+2 -0.35450 0.15088 0.08593 0.08820 -0.12136 110 8D-2 -0.20957 -0.22020 0.02431 0.03140 0.17350 111 6 Cu 1S -0.00858 0.00036 -0.00147 0.00419 -0.00269 112 2S -0.01554 0.00061 -0.00258 0.00656 -0.00457 113 3S 0.15267 0.00115 0.00154 -0.03474 0.02056 114 4PX -0.00050 -0.00927 0.00067 0.00099 0.00583 115 4PY 0.00384 -0.00189 0.00178 -0.00146 0.00167 116 4PZ 0.00995 0.00097 0.00889 -0.00589 0.00063 117 5PX 0.02371 0.33237 -0.01421 0.09198 0.51793 118 5PY -0.20097 0.07413 -0.06334 -0.08353 0.13645 119 5PZ -0.69860 -0.02088 -0.28923 -0.52419 0.06789 120 6PX 0.00106 0.03866 0.00054 0.00179 -0.03890 121 6PY -0.02066 0.00955 -0.01016 0.01899 -0.01335 122 6PZ -0.03929 -0.00151 -0.03770 0.03892 0.00519 123 7D 0 0.09950 0.04956 -0.07438 0.11577 -0.05494 124 7D+1 0.05410 -0.18102 -0.00791 0.07059 0.07335 125 7D-1 -0.15950 -0.04583 -0.18614 -0.06281 0.01955 126 7D+2 0.03516 -0.08398 0.11462 -0.03839 -0.03070 127 7D-2 0.01332 0.10973 0.02800 0.01060 0.12247 128 8D 0 -0.24409 -0.10552 0.14864 -0.30281 0.13581 129 8D+1 -0.13259 0.39249 0.01003 -0.18377 -0.16115 130 8D-1 0.37936 0.10098 0.42337 0.20913 -0.05053 131 8D+2 -0.07768 0.19404 -0.25179 0.08466 0.10407 132 8D-2 -0.02950 -0.26434 -0.06106 -0.03834 -0.35136 133 7 Cu 1S 0.00972 -0.04200 0.02257 0.00621 -0.02839 134 2S 0.01489 -0.08323 0.04378 0.01763 -0.07755 135 3S -0.32805 0.98447 -0.44235 -0.22726 1.02232 136 4PX -0.00565 -0.00624 0.00855 -0.00069 -0.00491 137 4PY 0.00066 -0.00601 0.00039 0.00546 -0.01831 138 4PZ 0.01251 -0.00843 -0.00887 0.00421 0.00026 139 5PX 0.16931 0.18427 -0.21523 0.03297 -0.01766 140 5PY -0.23611 0.19003 -0.04330 -0.11575 0.43326 141 5PZ -0.13106 0.19872 0.17909 -0.03539 -0.05886 142 6PX 0.00168 -0.13442 -0.01123 -0.10423 0.06075 143 6PY 0.00379 -0.07478 0.06574 0.05173 -0.09360 144 6PZ 0.07453 0.04379 0.16607 0.17326 0.08111 145 7D 0 0.11918 -0.01433 -0.04640 -0.01766 0.01565 146 7D+1 0.15549 -0.04671 -0.07602 -0.01959 0.07091 147 7D-1 -0.00754 -0.12088 -0.15543 0.06384 -0.04002 148 7D+2 -0.15717 0.00866 0.07640 -0.03550 0.12209 149 7D-2 -0.02324 -0.03793 0.09325 0.01233 -0.12532 150 8D 0 -0.24875 0.02769 0.10764 0.03632 -0.02219 151 8D+1 -0.33779 0.10720 0.16965 0.04473 -0.16404 152 8D-1 0.02373 0.26903 0.35144 -0.14669 0.08256 153 8D+2 0.35055 -0.02450 -0.16796 0.07765 -0.26508 154 8D-2 0.04318 0.08101 -0.20986 -0.01969 0.25976 155 8 Cu 1S -0.02897 0.00225 -0.05432 -0.01173 0.00402 156 2S 0.02931 0.00016 -0.06147 0.07159 -0.01953 157 3S 2.14288 -0.11681 2.02716 1.65027 -0.48023 158 4PX 0.00370 0.00988 -0.00033 0.01182 0.02944 159 4PY 0.00733 0.00175 0.01400 -0.00019 0.00665 160 4PZ 0.02855 -0.00247 0.01095 0.01687 -0.00984 161 5PX -0.31167 0.23979 -0.06881 -0.24981 0.10826 162 5PY 0.48780 0.03473 -0.13143 0.35976 -0.09490 163 5PZ -1.71399 0.02807 -0.66798 -1.23054 0.35053 164 6PX -0.16803 0.08833 -0.11968 -0.02107 0.15455 165 6PY 0.31755 -0.00576 0.18140 0.08463 -0.02143 166 6PZ -0.76818 0.03103 -0.56751 -0.29003 0.08601 167 7D 0 -0.04943 0.05347 -0.17703 -0.19825 0.05178 168 7D+1 -0.00302 -0.14114 -0.04542 -0.07634 0.03864 169 7D-1 -0.07192 -0.05728 -0.07641 0.01923 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133 7 Cu 1S 0.00442 -0.10356 0.04066 -0.09638 -0.00689 134 2S 0.01264 -0.12964 0.05794 -0.13598 -0.01544 135 3S -0.15287 0.27774 -1.05784 2.41427 -0.01913 136 4PX 0.00620 -0.00175 0.00607 -0.02665 0.00023 137 4PY -0.00014 -0.01256 0.00180 -0.00104 0.00019 138 4PZ -0.01269 0.00059 0.01562 -0.00582 -0.00015 139 5PX -0.09608 -0.10145 -0.33899 0.75352 0.03663 140 5PY -0.01177 0.67725 -0.12651 0.32265 -0.02175 141 5PZ 0.20517 -0.12312 -0.14990 0.29634 -0.11640 142 6PX 0.04798 -0.11681 0.04575 -0.30602 -0.08167 143 6PY -0.00920 0.00720 -0.11363 0.31809 0.01729 144 6PZ -0.11644 -0.02716 0.23483 -0.07030 0.18498 145 7D 0 -0.00113 0.11062 0.00032 0.06211 0.01522 146 7D+1 -0.05176 -0.04678 0.08970 -0.09303 0.01947 147 7D-1 -0.17848 -0.02511 0.09302 -0.02169 0.00667 148 7D+2 0.02930 0.07785 0.03883 -0.15133 -0.01085 149 7D-2 0.08325 -0.14104 0.02645 -0.12727 -0.00074 150 8D 0 -0.00004 -0.28303 0.01754 -0.16879 -0.03397 151 8D+1 0.11801 0.10256 -0.21987 0.26069 -0.04751 152 8D-1 0.41432 0.06894 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-0.03907 -0.00952 0.25159 17 7D-2 0.04544 -0.15902 0.01845 -0.08239 0.13502 18 8D 0 0.32469 0.24910 -0.31686 -0.25092 -0.47236 19 8D+1 0.01836 -0.87364 -0.26414 0.25853 0.11889 20 8D-1 0.84724 -0.26386 0.00855 0.04396 -0.43077 21 8D+2 -0.60064 -0.36854 0.10169 0.00772 -0.75510 22 8D-2 -0.13533 0.44363 -0.06643 0.25748 -0.40479 23 2 Cu 1S -0.01672 -0.00713 -0.06515 0.03021 -0.25386 24 2S 0.01579 -0.10169 -0.11916 0.05532 -0.49295 25 3S 0.53536 -1.08629 0.18003 -0.12794 -0.53526 26 4PX 0.00238 -0.00538 -0.01140 0.00919 0.00117 27 4PY -0.00665 0.01074 0.01352 -0.00837 0.00038 28 4PZ 0.00074 -0.00074 0.00427 -0.00148 -0.00131 29 5PX -0.39180 0.46520 0.15167 -0.11273 0.27316 30 5PY -0.30372 0.28715 0.33014 -0.23802 -0.30527 31 5PZ 0.14351 -0.62541 -0.26412 0.15652 -0.05497 32 6PX 0.12755 -0.10542 -0.08293 0.10775 0.26208 33 6PY 0.30718 -0.44768 -0.23138 0.19774 0.31685 34 6PZ -0.14265 0.29308 0.19257 -0.09743 -0.30408 35 7D 0 0.00970 0.02761 0.03836 -0.00710 -0.02944 36 7D+1 0.06368 -0.13142 -0.06563 0.04241 0.05081 37 7D-1 0.03500 -0.02617 -0.00738 0.01066 0.01980 38 7D+2 -0.05848 0.05688 0.05522 -0.05173 -0.03857 39 7D-2 -0.03044 0.03472 0.04017 -0.03438 -0.04681 40 8D 0 -0.03528 -0.08906 -0.15490 0.06729 0.11138 41 8D+1 -0.19711 0.40407 0.18166 -0.12118 -0.15073 42 8D-1 -0.10196 0.08440 0.02989 -0.03589 -0.05605 43 8D+2 0.18056 -0.17266 -0.20107 0.17240 0.13970 44 8D-2 0.10211 -0.10160 -0.19928 0.15040 0.17158 45 3 Cu 1S 0.02517 -0.07313 0.13075 -0.09750 -0.17932 46 2S 0.08341 -0.20430 0.30228 -0.22283 -0.37479 47 3S 0.22782 -0.32298 0.38732 -0.25173 0.19392 48 4PX -0.01124 0.01260 0.01211 -0.01091 -0.01191 49 4PY 0.02477 -0.04368 0.02517 -0.01820 0.00140 50 4PZ -0.00678 0.00639 -0.02118 0.01180 0.00823 51 5PX 0.23099 -0.31679 -0.62010 0.79523 0.27656 52 5PY -0.70751 1.17132 -0.23514 0.37656 0.21212 53 5PZ 0.10572 -0.26843 0.95818 -0.14841 -0.30916 54 6PX -0.54779 0.97341 0.07829 -0.33417 -0.57783 55 6PY 0.81784 -1.40074 0.40570 -0.39408 -0.14193 56 6PZ 0.16095 -0.08018 -0.47708 0.03034 0.48699 57 7D 0 0.02636 0.01116 -0.17924 -0.01520 0.04842 58 7D+1 0.00273 -0.04005 0.10253 -0.02595 -0.00574 59 7D-1 0.11191 -0.15880 0.04120 -0.05609 -0.11752 60 7D+2 0.05203 -0.13510 -0.08859 0.12731 -0.04165 61 7D-2 -0.04664 0.10734 -0.17862 0.17566 0.15095 62 8D 0 -0.07788 -0.03361 0.54684 0.04421 -0.14823 63 8D+1 -0.00820 0.10528 -0.29994 0.07321 0.00254 64 8D-1 -0.29932 0.43864 -0.11030 0.15410 0.34623 65 8D+2 -0.14658 0.37017 0.28035 -0.38988 0.12845 66 8D-2 0.12871 -0.29217 0.53240 -0.52779 -0.45231 67 4 Cu 1S 0.02663 0.06784 0.00100 0.16861 -0.17710 68 2S 0.08519 0.19632 0.00581 0.38565 -0.37180 69 3S 0.21262 0.36127 0.05299 0.43924 0.17736 70 4PX -0.00284 -0.00797 -0.00047 -0.03350 0.01116 71 4PY 0.02614 0.04543 0.00168 0.02015 0.00593 72 4PZ -0.00677 -0.00721 -0.00392 -0.01643 0.00526 73 5PX 0.13310 0.25800 -0.14177 1.26600 -0.37675 74 5PY -0.70708 -1.19792 0.05971 0.05885 0.09509 75 5PZ 0.07322 0.28055 0.53112 0.50746 -0.23494 76 6PX 0.16640 0.35585 0.14428 -0.59281 0.66171 77 6PY 0.92739 1.73032 0.03506 0.35674 0.08230 78 6PZ 0.08990 -0.10255 -0.31969 -0.27688 0.31439 79 7D 0 0.04624 0.03299 -0.08341 -0.08172 0.03166 80 7D+1 -0.01986 -0.10661 -0.09882 -0.08599 0.06017 81 7D-1 0.08184 0.07280 -0.04526 -0.02194 -0.05594 82 7D+2 -0.02623 -0.02126 0.03648 -0.31598 0.09308 83 7D-2 0.09120 0.19166 -0.00295 0.05782 -0.15273 84 8D 0 -0.13199 -0.08686 0.25421 0.25918 -0.10388 85 8D+1 0.04914 0.29215 0.29849 0.24412 -0.16864 86 8D-1 -0.21755 -0.20338 0.13216 0.07639 0.16630 87 8D+2 0.06978 0.05554 -0.10928 0.95235 -0.27204 88 8D-2 -0.25093 -0.52416 0.01190 -0.15664 0.46120 89 5 Cu 1S -0.02404 -0.00460 0.03785 0.02174 -0.26137 90 2S -0.14642 -0.01270 0.06470 0.03900 -0.49703 91 3S -1.20729 -0.07394 -0.30852 -0.09561 -0.35085 92 4PX -0.00337 -0.00052 0.00378 0.00406 -0.00017 93 4PY 0.01247 -0.00013 -0.01219 -0.00566 0.00096 94 4PZ -0.00599 -0.00076 0.01452 0.00709 0.00087 95 5PX 0.00754 -0.23024 0.07388 0.00793 0.09963 96 5PY 0.54000 -0.04866 -0.44870 -0.22244 -0.26869 97 5PZ 0.77828 0.07263 -0.18335 -0.10692 0.24073 98 6PX 0.08333 0.06338 -0.06743 0.02569 -0.02353 99 6PY -0.55966 0.00122 0.33333 0.17410 0.37319 100 6PZ -0.18961 -0.00790 0.19445 0.08134 0.32951 101 7D 0 0.13257 0.01445 -0.08101 -0.03569 -0.05010 102 7D+1 0.01600 -0.03244 0.00922 -0.01910 0.00460 103 7D-1 0.10077 -0.00602 -0.08096 -0.04343 -0.07110 104 7D+2 -0.02297 -0.00683 -0.02097 -0.01228 -0.00258 105 7D-2 0.00525 0.00221 -0.01902 -0.01351 -0.01227 106 8D 0 -0.40671 -0.04476 0.23130 0.10573 0.15814 107 8D+1 -0.04985 0.10614 -0.04947 0.02810 -0.02005 108 8D-1 -0.30979 0.01926 0.32604 0.16793 0.23567 109 8D+2 0.07335 0.01791 0.11652 0.06251 0.02922 110 8D-2 -0.01461 0.00443 0.09680 0.05218 0.04939 111 6 Cu 1S -0.01070 -0.00239 -0.01080 -0.00190 -0.16953 112 2S -0.02677 -0.00631 -0.02483 -0.00388 -0.40272 113 3S -0.02981 -0.00640 -0.01893 0.00043 -0.51437 114 4PX -0.00082 -0.00713 -0.00858 0.02277 -0.00214 115 4PY -0.00116 -0.00129 0.00408 0.00747 0.00968 116 4PZ -0.00821 0.00125 0.02342 0.00729 -0.00322 117 5PX -0.04790 -0.48282 0.17535 -0.48230 -0.04389 118 5PY -0.10799 -0.09851 -0.06111 -0.15211 0.21237 119 5PZ -0.48454 0.06855 -0.49511 -0.14938 0.01617 120 6PX 0.05385 0.65117 -0.21484 0.59075 -0.02828 121 6PY 0.16114 0.14311 0.09133 0.18470 0.06297 122 6PZ 0.61075 -0.08390 0.62371 0.18609 -0.09359 123 7D 0 0.05198 0.00354 0.12154 0.06535 -0.03424 124 7D+1 0.02788 -0.01319 0.07827 0.00666 -0.00156 125 7D-1 -0.06737 0.00926 -0.17514 -0.05076 -0.00390 126 7D+2 0.00427 0.03491 -0.02147 0.09194 -0.03912 127 7D-2 -0.00974 -0.08596 0.07485 -0.20401 -0.02033 128 8D 0 -0.18073 -0.01333 -0.35212 -0.19038 0.11560 129 8D+1 -0.09577 0.05244 -0.22825 -0.01686 0.00283 130 8D-1 0.22204 -0.03005 0.50560 0.14678 0.02070 131 8D+2 -0.00885 -0.11424 0.06504 -0.26473 0.13721 132 8D-2 0.03426 0.28568 -0.21554 0.59101 0.07075 133 7 Cu 1S -0.01767 -0.00266 -0.02198 -0.06136 -0.25315 134 2S 0.01069 0.08339 -0.04098 -0.11160 -0.49445 135 3S 0.48446 1.09614 0.02656 0.21564 -0.61365 136 4PX 0.00123 -0.00013 -0.00046 0.00784 -0.00083 137 4PY -0.00629 -0.01207 0.00141 0.02045 0.00090 138 4PZ 0.00100 0.00126 0.00152 0.00102 -0.00090 139 5PX 0.46745 0.71084 -0.01684 -0.41955 -0.17957 140 5PY -0.11367 -0.06132 0.00229 0.29370 -0.38475 141 5PZ -0.00479 0.45373 -0.03297 -0.21071 -0.01535 142 6PX -0.25420 -0.38021 -0.02999 0.31105 -0.41874 143 6PY 0.21052 0.36881 0.00445 -0.22366 0.15550 144 6PZ -0.08388 -0.23466 0.04660 0.16048 -0.19652 145 7D 0 0.03438 0.03490 0.01199 -0.00127 -0.00578 146 7D+1 -0.03464 -0.10815 0.01312 0.05568 -0.03812 147 7D-1 0.01185 -0.02779 0.00767 0.01946 -0.00808 148 7D+2 -0.07261 -0.10239 -0.00586 0.11235 -0.06621 149 7D-2 -0.02127 -0.03374 -0.00100 0.03120 0.00213 150 8D 0 -0.11226 -0.10442 -0.02833 -0.06052 0.03879 151 8D+1 0.10117 0.33580 -0.02754 -0.16257 0.11168 152 8D-1 -0.02958 0.08084 -0.02013 -0.06598 0.03117 153 8D+2 0.22892 0.31241 0.00673 -0.42932 0.23456 154 8D-2 0.06257 0.10527 0.00556 -0.05952 -0.00677 155 8 Cu 1S -0.09121 -0.00379 -0.16513 -0.07689 -0.15665 156 2S -0.24635 -0.00919 -0.37643 -0.17549 -0.31764 157 3S -0.31698 0.00009 -0.39020 -0.19341 0.34296 158 4PX 0.01333 -0.00408 0.00480 -0.00082 -0.00294 159 4PY -0.04902 -0.00104 -0.03226 -0.01611 0.00730 160 4PZ 0.01529 0.00060 -0.02084 -0.00966 -0.01340 161 5PX -0.36209 -0.00193 -0.18464 0.49216 0.00784 162 5PY 1.36691 0.01315 0.54721 0.37418 0.09451 163 5PZ -0.36666 0.01532 1.15465 0.46823 0.25385 164 6PX 0.48794 0.09201 0.22714 -0.26628 -0.08428 165 6PY -1.44496 -0.03095 -0.60854 -0.33834 -0.10826 166 6PZ 1.12356 0.01857 -0.37610 -0.13561 -0.75026 167 7D 0 -0.11418 0.00919 0.09161 0.00816 -0.06746 168 7D+1 -0.04838 -0.03268 -0.10926 0.08679 -0.04073 169 7D-1 0.18145 -0.00463 0.27442 0.15315 0.13140 170 7D+2 -0.17846 -0.01172 0.07388 0.04297 -0.03734 171 7D-2 -0.04934 0.01369 0.06393 0.07278 0.00308 172 8D 0 0.31834 -0.02448 -0.27883 -0.02639 0.21655 173 8D+1 0.13466 0.08924 0.32917 -0.26168 0.12552 174 8D-1 -0.49538 0.00956 -0.81530 -0.45498 -0.39057 175 8D+2 0.48809 0.02805 -0.24554 -0.13758 0.10988 176 8D-2 0.13475 -0.02843 -0.19723 -0.22783 -0.01094 177 9 C 1S 0.00034 0.00010 0.00070 0.00017 0.01343 178 2S 0.01688 0.00419 0.01846 0.00394 0.20759 179 3S -0.07218 -0.01414 -0.07894 -0.01658 -0.99073 180 4PX 0.00560 0.01260 -0.00838 0.03589 0.08393 181 4PY -0.01158 -0.00142 -0.01352 0.00742 -0.34337 182 4PZ 0.01474 -0.00223 0.03967 0.01176 0.07475 183 5PX 0.00763 0.01022 0.00120 0.01495 0.10661 184 5PY -0.02291 -0.00331 -0.02789 -0.00096 -0.42126 185 5PZ 0.02315 0.00047 0.02065 0.00725 0.10521 186 10 O 1S 0.00091 0.00014 0.00084 0.00012 0.01236 187 2S -0.00743 -0.00060 -0.00552 -0.00049 -0.05869 188 3S 0.00259 -0.00097 -0.00093 -0.00071 -0.09890 189 4PX 0.00395 0.02211 -0.00123 0.01016 0.03838 190 4PY -0.00373 0.00249 -0.00834 0.00141 -0.15869 191 4PZ 0.02495 -0.00279 0.01222 0.00376 0.03534 192 5PX -0.00949 -0.07245 0.00866 -0.03168 -0.03859 193 5PY -0.00474 -0.01264 0.00780 -0.00813 0.15888 194 5PZ -0.07934 0.01034 -0.03472 -0.01107 -0.03340 186 187 188 189 190 V V V V V EIGENVALUES -- 1.50905 1.66033 2.03182 2.21981 2.22373 1 1 Cu 1S 0.14530 -0.29519 -0.35919 -0.00464 0.00138 2 2S 0.44219 -0.63003 -0.69759 -0.00986 0.00266 3 3S 5.54382 3.68901 -0.20636 -0.01020 -0.00446 4 4PX 0.00204 0.01026 -0.01120 0.00034 0.00215 5 4PY -0.00377 -0.04199 0.04442 0.00125 0.00030 6 4PZ 0.00313 0.00937 -0.01063 0.00203 -0.00052 7 5PX 0.42639 -0.31756 -0.22673 -0.12383 -0.74037 8 5PY -1.92259 1.30546 0.98656 -0.20898 -0.14759 9 5PZ 0.35458 -0.29264 -0.19468 -0.72899 0.16171 10 6PX -0.26495 -0.40827 0.07954 -0.30487 -1.65807 11 6PY 0.79633 1.69146 -0.26705 -0.41685 -0.31853 12 6PZ -0.33724 -0.37404 0.11265 -1.63104 0.38143 13 7D 0 -0.09824 -0.02351 0.02382 0.02391 0.00305 14 7D+1 0.01785 0.00479 -0.00416 0.00704 -0.02032 15 7D-1 -0.07590 -0.02029 0.01778 -0.00718 -0.00001 16 7D+2 -0.16519 -0.04058 0.03849 -0.00647 0.00596 17 7D-2 -0.08405 -0.02089 0.01953 -0.00652 -0.01939 18 8D 0 0.27515 0.09030 -0.06839 -0.11597 -0.01466 19 8D+1 -0.04917 -0.01854 0.01146 -0.03532 0.09606 20 8D-1 0.21108 0.07765 -0.04989 0.03807 -0.00051 21 8D+2 0.46489 0.15569 -0.11040 0.02981 -0.03001 22 8D-2 0.23596 0.08025 -0.05556 0.03080 0.09556 23 2 Cu 1S -0.41178 0.00201 0.34878 -0.10272 0.22779 24 2S -0.87557 -0.02595 0.63655 -0.25361 0.55670 25 3S -2.11725 -0.44860 0.82049 -1.17097 2.38084 26 4PX -0.02230 -0.00110 0.00913 -0.01087 0.02928 27 4PY -0.00759 -0.00778 -0.00069 0.01098 -0.01925 28 4PZ 0.01949 0.00417 -0.00659 0.00913 -0.01132 29 5PX 1.01387 0.11556 -0.47200 0.56035 -1.15666 30 5PY -0.00070 -0.05855 0.36631 -0.46423 1.00279 31 5PZ -0.74643 -0.06452 0.20389 -0.20750 0.47789 32 6PX 0.17490 0.05828 -0.21035 0.11570 0.48078 33 6PY -0.13513 -0.35990 0.05923 0.27775 -0.21681 34 6PZ -0.03630 0.10330 0.11345 0.46416 0.05595 35 7D 0 0.01163 -0.02249 -0.01051 -0.03531 0.07548 36 7D+1 -0.09238 0.01159 0.02281 -0.02703 0.04904 37 7D-1 0.01653 0.00463 -0.00696 0.01774 -0.02208 38 7D+2 0.08447 -0.02556 -0.03113 -0.01590 0.01911 39 7D-2 0.00398 -0.03522 -0.00997 -0.05872 0.13031 40 8D 0 -0.00830 0.07653 0.04075 0.13950 -0.27710 41 8D+1 0.29400 -0.02815 -0.07726 0.09485 -0.17914 42 8D-1 -0.02982 -0.03255 0.01704 -0.06257 0.08268 43 8D+2 -0.22266 0.06667 0.10514 0.05519 -0.07827 44 8D-2 0.01465 0.13179 0.04573 0.21568 -0.48565 45 3 Cu 1S -0.07254 0.16871 0.50015 0.56074 -1.16332 46 2S -0.04105 0.35201 0.97704 1.12218 -2.32426 47 3S 0.06340 -0.82912 -1.09821 -1.12338 2.36936 48 4PX 0.02098 0.00192 0.01796 0.00155 -0.01342 49 4PY -0.00299 0.00166 -0.02502 -0.00357 0.00042 50 4PZ -0.01448 -0.00207 -0.00346 -0.01013 0.00491 51 5PX 0.02038 -0.07225 -0.79374 0.26198 -0.27531 52 5PY -0.54184 0.51066 1.31489 -0.39916 1.02508 53 5PZ 0.20981 -0.15127 0.05781 0.25604 -0.06499 54 6PX 0.21968 0.35212 0.33081 0.31062 -0.95758 55 6PY -0.48374 0.11860 0.21214 -0.37773 0.43871 56 6PZ 0.03090 -0.31196 -0.32675 -0.44825 0.37778 57 7D 0 0.05771 0.02196 0.02969 -0.03744 -0.06873 58 7D+1 0.03848 0.00880 -0.00272 0.02828 -0.03436 59 7D-1 0.03476 -0.01738 -0.02317 0.00276 0.01287 60 7D+2 0.06091 0.00157 0.00931 0.01983 -0.00203 61 7D-2 0.06422 0.04463 0.05859 0.06151 -0.05534 62 8D 0 -0.17771 -0.08836 -0.11933 0.10223 0.28386 63 8D+1 -0.10765 -0.02916 0.00261 -0.10199 0.13756 64 8D-1 -0.11597 0.07550 0.09025 -0.00707 -0.06561 65 8D+2 -0.20187 -0.00643 -0.03562 -0.07240 0.03273 66 8D-2 -0.19141 -0.18328 -0.23423 -0.25371 0.27451 67 4 Cu 1S -0.07187 0.17027 0.50667 0.72891 1.06410 68 2S -0.04070 0.35520 0.99045 1.45688 2.12550 69 3S 0.03037 -0.83406 -1.10425 -1.50135 -2.17210 70 4PX -0.02151 -0.00288 -0.00671 -0.00439 -0.01227 71 4PY -0.01241 0.00055 -0.02993 -0.00465 -0.00497 72 4PZ -0.00751 -0.00139 -0.00014 -0.00908 0.00073 73 5PX 0.25925 -0.17979 0.18882 0.01678 0.18006 74 5PY -0.47517 0.48825 1.50483 -0.62195 -0.97868 75 5PZ 0.15065 -0.13474 -0.07589 0.29680 0.02733 76 6PX 0.01085 -0.44185 -0.46831 -0.35817 -0.73239 77 6PY -0.54805 -0.04956 0.06093 -0.50699 -0.77486 78 6PZ 0.06179 -0.19462 -0.21082 -0.37169 -0.05071 79 7D 0 0.08018 0.02302 0.02403 -0.00390 0.07815 80 7D+1 -0.03487 0.00220 0.01156 -0.05330 0.00995 81 7D-1 0.02657 -0.00629 -0.00320 -0.00083 -0.00486 82 7D+2 0.07164 0.03506 0.05437 0.05290 0.03160 83 7D-2 0.00442 -0.03324 -0.03617 -0.03571 -0.03531 84 8D 0 -0.24326 -0.08926 -0.10126 -0.02048 -0.31664 85 8D+1 0.10453 -0.01492 -0.04027 0.18209 -0.02955 86 8D-1 -0.09003 0.02697 0.01423 -0.00392 0.02382 87 8D+2 -0.22609 -0.14599 -0.21430 -0.22720 -0.18076 88 8D-2 -0.03135 0.13579 0.14603 0.15324 0.15978 89 5 Cu 1S -0.41905 -0.00037 0.36215 0.24645 -0.02829 90 2S -0.88765 -0.03166 0.66045 0.60451 -0.06293 91 3S -2.00270 -0.43364 0.72072 2.63798 -0.14365 92 4PX -0.00138 0.00161 0.00131 0.00900 0.00385 93 4PY -0.01311 -0.00879 0.00190 -0.01654 0.00208 94 4PZ -0.02719 -0.00207 0.01057 0.03612 -0.00294 95 5PX 0.13815 0.02677 -0.14007 -0.39213 0.05233 96 5PY 0.20259 -0.03379 0.28526 0.86926 -0.06066 97 5PZ 1.20381 0.13772 -0.53645 -1.48265 0.10264 98 6PX 0.07130 0.08226 -0.04471 0.16172 0.54037 99 6PY -0.15176 -0.36262 0.02019 -0.24396 0.14426 100 6PZ 0.17844 0.04437 -0.25324 0.43088 -0.11644 101 7D 0 0.11530 -0.01497 -0.03235 -0.06461 0.00587 102 7D+1 0.02063 0.00812 -0.00295 -0.05622 -0.00101 103 7D-1 0.03078 -0.04052 -0.01731 0.12928 -0.01207 104 7D+2 0.02211 -0.02088 -0.01672 0.07017 -0.00924 105 7D-2 0.01389 -0.01530 -0.00928 0.05207 0.00296 106 8D 0 -0.34453 0.02595 0.10598 0.23319 -0.01839 107 8D+1 -0.07238 -0.03458 0.00598 0.20656 -0.00784 108 8D-1 -0.07536 0.14965 0.07146 -0.48176 0.04262 109 8D+2 -0.02035 0.05751 0.05682 -0.26161 0.03299 110 8D-2 -0.01875 0.04818 0.03370 -0.19412 -0.01212 111 6 Cu 1S -0.68489 -0.20645 -0.98275 -0.00160 0.00470 112 2S -1.36985 -0.50833 -2.06487 -0.00278 0.00968 113 3S 3.00195 -0.12979 -0.20616 0.02293 0.00704 114 4PX -0.00525 0.00600 0.01117 -0.00114 -0.00641 115 4PY 0.02158 -0.02467 -0.04590 -0.00159 -0.00106 116 4PZ -0.00490 0.00554 0.01036 -0.00613 0.00136 117 5PX 0.01859 -0.18981 -0.53453 -0.02096 -0.09645 118 5PY -0.05515 0.78093 2.17472 -0.02643 -0.03010 119 5PZ 0.02461 -0.17454 -0.49622 -0.08326 0.02602 120 6PX 0.09993 0.04861 0.14897 0.00377 -0.09404 121 6PY -0.42509 -0.19962 -0.58301 -0.02641 -0.02188 122 6PZ 0.09448 0.04448 0.14950 -0.09604 0.00490 123 7D 0 -0.01367 -0.03664 -0.06474 -0.06704 0.00170 124 7D+1 0.00185 0.00724 0.01338 -0.03310 0.01904 125 7D-1 -0.00855 -0.02985 -0.05422 0.07953 -0.01881 126 7D+2 -0.02129 -0.06218 -0.11114 -0.01146 -0.04032 127 7D-2 -0.01039 -0.03203 -0.05773 0.01759 0.09920 128 8D 0 0.05676 0.11657 0.22948 0.23198 -0.00599 129 8D+1 -0.00842 -0.02311 -0.04747 0.11451 -0.06599 130 8D-1 0.03769 0.09504 0.19239 -0.27537 0.06488 131 8D+2 0.08991 0.19798 0.39408 0.03940 0.13909 132 8D-2 0.04452 0.10198 0.20495 -0.06051 -0.34268 133 7 Cu 1S -0.40711 0.00101 0.34375 -0.14840 -0.20794 134 2S -0.86744 -0.02822 0.62689 -0.35794 -0.50902 135 3S -2.19705 -0.44123 0.84131 -1.44037 -2.22342 136 4PX 0.02819 0.00521 -0.00961 0.01060 0.01984 137 4PY 0.00346 -0.00646 -0.00458 0.01894 0.02767 138 4PZ 0.01189 0.00324 -0.00364 0.00699 0.00294 139 5PX -1.11529 -0.09598 0.32843 -0.47060 -0.68931 140 5PY -0.44508 -0.10302 0.52542 -0.86389 -1.29736 141 5PZ -0.44098 -0.03231 0.08646 -0.09985 -0.18411 142 6PX -0.10818 0.12099 0.19192 -0.04243 0.33313 143 6PY -0.18860 -0.34601 0.14653 0.30586 0.33742 144 6PZ -0.00086 0.09368 0.05290 0.45301 -0.24226 145 7D 0 -0.02532 -0.01682 -0.00220 -0.05779 -0.08435 146 7D+1 0.05181 -0.00946 -0.01135 0.01381 0.01793 147 7D-1 0.03593 -0.00630 -0.01179 0.01172 0.00162 148 7D+2 0.07743 -0.04665 -0.03315 -0.06607 -0.09356 149 7D-2 0.07736 0.00288 -0.02137 0.04581 0.07528 150 8D 0 0.11163 0.05978 0.01173 0.21898 0.30862 151 8D+1 -0.17471 0.03230 0.04149 -0.04334 -0.06868 152 8D-1 -0.09316 0.00857 0.03771 -0.03774 -0.00739 153 8D+2 -0.19975 0.15407 0.12213 0.24345 0.35390 154 8D-2 -0.22441 -0.03783 0.06294 -0.16886 -0.27520 155 8 Cu 1S -0.07341 0.16896 0.51073 -1.28340 0.09671 156 2S -0.04001 0.35156 0.99627 -2.56691 0.19344 157 3S 0.16203 -0.84264 -1.18658 2.58663 -0.20980 158 4PX 0.00349 -0.00015 0.00757 -0.00306 -0.00876 159 4PY 0.00334 0.00199 -0.02357 -0.00100 -0.00154 160 4PZ 0.02512 0.00217 0.02051 -0.01570 0.00221 161 5PX 0.11520 -0.11693 -0.38004 -0.24953 0.25504 162 5PY -0.61847 0.52444 1.23461 1.06727 -0.03949 163 5PZ -0.01908 -0.04228 -0.87178 -0.34371 -0.00586 164 6PX 0.13269 0.01584 0.01854 -0.27723 -0.30063 165 6PY -0.46936 0.21346 0.24095 0.36027 -0.04966 166 6PZ 0.26798 0.43090 0.46382 -1.16718 0.10402 167 7D 0 -0.00301 -0.01812 -0.01022 0.04538 -0.01899 168 7D+1 -0.02737 -0.01637 -0.01859 0.03718 0.05600 169 7D-1 0.04028 0.04643 0.06553 -0.06279 0.01050 170 7D+2 0.09704 0.00923 0.00957 -0.04425 -0.00490 171 7D-2 0.04793 0.01190 0.01677 -0.02580 0.04342 172 8D 0 -0.00906 0.06942 0.04707 -0.18140 0.06467 173 8D+1 0.07970 0.06560 0.07599 -0.16001 -0.18126 174 8D-1 -0.12053 -0.19291 -0.25829 0.30760 -0.03980 175 8D+2 -0.30523 -0.03295 -0.04325 0.19537 0.01776 176 8D-2 -0.15016 -0.04685 -0.06748 0.12181 -0.15753 177 9 C 1S -0.00754 0.02185 -0.00750 0.00005 0.00003 178 2S 0.87609 0.10723 -0.32767 0.00055 0.00152 179 3S -2.86989 2.62800 0.13470 -0.00713 -0.00480 180 4PX -0.06427 0.06697 -0.00693 -0.00489 -0.02779 181 4PY 0.26201 -0.27536 0.02959 -0.00740 -0.00526 182 4PZ -0.06223 0.06337 -0.00569 -0.02862 0.00638 183 5PX 0.14219 0.18220 -0.28135 0.04158 0.23076 184 5PY -0.56350 -0.75386 1.14487 0.06432 0.04212 185 5PZ 0.14447 0.17357 -0.26868 0.23110 -0.05342 186 10 O 1S 0.00415 -0.07946 0.02256 0.00008 0.00001 187 2S -0.12016 1.86991 -0.72699 -0.00261 -0.00021 188 3S 0.46038 -3.56070 1.55016 0.00577 0.00059 189 4PX 0.00245 -0.01612 -0.00794 0.00297 0.01726 190 4PY -0.01132 0.06533 0.03214 0.00518 0.00325 191 4PZ 0.00234 -0.01452 -0.00739 0.01724 -0.00389 192 5PX -0.07397 0.28011 -0.05155 -0.01583 -0.08748 193 5PY 0.30449 -1.14747 0.21445 -0.02383 -0.01631 194 5PZ -0.07131 0.26243 -0.04864 -0.08778 0.02001 191 192 193 194 V V V V EIGENVALUES -- 2.75159 2.76346 3.56793 10.43626 1 1 Cu 1S 0.00499 -0.01110 -0.72105 -3.43477 2 2S 0.01102 -0.02254 -1.26157 -5.54030 3 3S 0.07830 -0.10049 3.81107 13.85637 4 4PX 0.06259 0.00809 -0.00973 0.01066 5 4PY 0.01617 -0.01173 0.04150 -0.04075 6 4PZ 0.00522 -0.06566 -0.00850 0.01045 7 5PX -1.01015 -0.14343 0.21143 -1.56883 8 5PY -0.28879 0.23980 -0.90291 6.34112 9 5PZ -0.08318 1.09734 0.18356 -1.48507 10 6PX -0.80981 -0.08918 0.05247 0.46975 11 6PY -0.17629 0.09299 -0.09431 -2.29448 12 6PZ -0.05185 0.76196 0.08591 0.35865 13 7D 0 0.02604 -0.05606 -0.00764 -0.02648 14 7D+1 -0.04576 -0.03323 0.00148 0.00548 15 7D-1 -0.00657 0.00977 -0.00624 -0.02221 16 7D+2 0.00502 0.02455 -0.01350 -0.04561 17 7D-2 -0.04543 0.00310 -0.00677 -0.02366 18 8D 0 -0.10013 0.22089 0.03153 0.21719 19 8D+1 0.17215 0.13013 -0.00613 -0.04463 20 8D-1 0.02480 -0.04824 0.02581 0.18160 21 8D+2 -0.02568 -0.09175 0.05574 0.37365 22 8D-2 0.18440 -0.00988 0.02783 0.19400 23 2 Cu 1S 1.12464 1.05275 -0.69383 -0.00821 24 2S 2.05990 1.92982 -1.30976 -0.03946 25 3S -3.62209 -3.18571 -0.14311 -3.14945 26 4PX -0.02913 -0.01568 0.00171 -0.02365 27 4PY 0.00633 0.01118 -0.00090 -0.01618 28 4PZ 0.00719 0.02005 -0.00071 0.02421 29 5PX -0.29755 -0.54119 0.67891 0.56769 30 5PY 0.56628 0.41471 -0.70844 0.23918 31 5PZ 0.24347 -0.02687 -0.23014 -0.50925 32 6PX -0.30508 0.06539 -0.05164 0.65494 33 6PY -0.95020 -0.63451 0.26836 0.59365 34 6PZ 0.19869 0.61430 -0.08260 -0.70343 35 7D 0 -0.00676 0.03026 -0.03975 0.00721 36 7D+1 0.02492 0.01444 0.00431 0.01152 37 7D-1 -0.01076 -0.00396 -0.00335 0.00871 38 7D+2 0.00306 -0.01853 -0.04365 0.00795 39 7D-2 0.03008 0.01397 -0.05413 0.00622 40 8D 0 0.00354 -0.12896 0.17478 -0.02854 41 8D+1 -0.10828 -0.07037 -0.00539 -0.05152 42 8D-1 0.04024 0.01561 0.01419 -0.05432 43 8D+2 -0.01807 0.06016 0.18309 -0.04450 44 8D-2 -0.14119 -0.08019 0.23966 -0.01223 45 3 Cu 1S 0.24194 0.24194 0.78922 -1.05898 46 2S 0.44213 0.44399 1.41953 -1.73288 47 3S -0.20990 -0.18887 -1.64555 0.28070 48 4PX 0.02162 0.03077 -0.05595 0.02691 49 4PY -0.04828 -0.03875 0.03694 0.02844 50 4PZ -0.00913 0.00570 0.02692 -0.03160 51 5PX -1.17726 -1.02296 1.03886 0.10727 52 5PY 1.05394 1.04316 -1.51723 1.15889 53 5PZ 0.34166 0.47571 -0.16042 -0.54149 54 6PX 2.60603 2.34170 -0.07854 -0.36722 55 6PY -4.07737 -3.62563 0.42040 -0.00649 56 6PZ -0.36983 -0.26024 -0.12388 0.27028 57 7D 0 -0.01833 -0.03052 0.02072 0.00249 58 7D+1 0.01060 0.02592 -0.00272 0.01075 59 7D-1 0.00693 -0.01655 0.01206 -0.00311 60 7D+2 -0.05158 -0.02378 0.03168 -0.00661 61 7D-2 -0.02802 -0.03315 0.02131 0.00725 62 8D 0 0.06059 0.13522 -0.10405 -0.00798 63 8D+1 -0.04461 -0.11460 -0.00869 -0.02837 64 8D-1 -0.03397 0.06640 -0.04216 0.06329 65 8D+2 0.21382 0.08830 -0.13047 0.05879 66 8D-2 0.11781 0.12936 -0.12148 -0.06173 67 4 Cu 1S -0.32932 0.09856 0.78282 -1.05796 68 2S -0.60307 0.17862 1.40759 -1.73204 69 3S 0.26899 -0.13843 -1.63490 0.25921 70 4PX 0.00665 -0.00728 0.04190 -0.04370 71 4PY 0.06850 -0.01979 0.05715 0.01370 72 4PZ 0.00017 0.01344 0.01215 -0.02042 73 5PX -0.90548 0.21733 -0.34586 -0.70934 74 5PY -1.90410 0.63291 -1.78946 0.98357 75 5PZ -0.15892 0.16551 0.03755 -0.42907 76 6PX 1.00453 -0.30332 -0.14897 0.41046 77 6PY 6.20722 -1.76962 0.38949 0.21046 78 6PZ -0.22181 0.12456 -0.08487 0.19118 79 7D 0 0.02198 -0.01048 0.02091 0.00703 80 7D+1 0.01043 -0.01361 -0.00288 -0.00499 81 7D-1 0.01017 -0.02879 0.01254 -0.00377 82 7D+2 0.07128 -0.01409 0.03525 -0.00084 83 7D-2 0.01967 0.00351 0.01267 -0.01187 84 8D 0 -0.07911 0.05276 -0.11191 -0.01338 85 8D+1 -0.04426 0.07137 0.02084 -0.01066 86 8D-1 -0.03782 0.12269 -0.04768 0.04169 87 8D+2 -0.29191 0.04952 -0.16632 -0.01059 88 8D-2 -0.07890 -0.01515 -0.02613 0.10142 89 5 Cu 1S 0.33843 -1.49923 -0.68149 -0.00054 90 2S 0.61886 -2.74798 -1.28726 -0.02668 91 3S -1.14735 4.64489 -0.15398 -3.08883 92 4PX -0.01414 0.00353 0.00039 0.00018 93 4PY -0.00131 -0.00553 -0.00045 -0.02244 94 4PZ -0.00736 0.03753 0.00162 -0.03025 95 5PX 0.21203 0.27845 0.23063 0.02794 96 5PY 0.18185 -0.58810 -0.58610 0.37337 97 5PZ -0.15907 0.65379 0.77055 0.67908 98 6PX -0.37337 -0.28901 -0.07379 -0.02940 99 6PY -0.37093 1.15716 0.29533 0.70686 100 6PZ 0.00046 0.27215 -0.02719 0.81433 101 7D 0 -0.01436 0.03335 -0.01624 -0.00544 102 7D+1 0.02601 0.02266 0.01515 -0.00347 103 7D-1 0.01012 -0.02294 -0.05631 0.00005 104 7D+2 0.00339 -0.01031 -0.04459 0.01638 105 7D-2 0.00975 -0.00673 -0.02810 0.00708 106 8D 0 0.05703 -0.14441 0.05600 0.01477 107 8D+1 -0.08942 -0.10039 -0.06976 0.01015 108 8D-1 -0.04428 0.11802 0.24357 0.01873 109 8D+2 -0.01865 0.06764 0.19691 -0.08189 110 8D-2 -0.03985 0.04315 0.12355 -0.03238 111 6 Cu 1S -0.00046 0.00057 1.00076 -0.14969 112 2S -0.00018 -0.00072 1.73842 -0.23773 113 3S 0.02464 -0.04327 1.29778 -0.99105 114 4PX 0.00005 0.00017 0.00656 -0.00098 115 4PY 0.00025 -0.00056 -0.02679 0.00365 116 4PZ 0.00002 0.00000 0.00602 -0.00095 117 5PX -0.70979 -0.09197 0.28208 -0.04412 118 5PY -0.19096 0.15639 -1.14211 0.18210 119 5PZ -0.04902 0.72282 0.25538 -0.03795 120 6PX 2.19468 0.27495 0.12767 -0.05595 121 6PY 0.57152 -0.41805 -0.56066 0.25644 122 6PZ 0.15358 -2.12882 0.10937 -0.05142 123 7D 0 0.01298 -0.04294 -0.00489 0.00831 124 7D+1 -0.00775 -0.02461 0.00118 -0.00167 125 7D-1 -0.00365 0.05050 -0.00449 0.00669 126 7D+2 0.02679 0.00144 -0.00886 0.01425 127 7D-2 -0.06414 -0.00805 -0.00460 0.00737 128 8D 0 -0.04992 0.16756 0.00992 -0.04096 129 8D+1 0.02835 0.09609 -0.00276 0.00822 130 8D-1 0.01389 -0.20003 0.00990 -0.03307 131 8D+2 -0.10579 -0.00455 0.01914 -0.07033 132 8D-2 0.25210 0.03175 0.00973 -0.03637 133 7 Cu 1S -1.47344 0.45918 -0.69168 -0.01254 134 2S -2.69962 0.84343 -1.30540 -0.04760 135 3S 4.65825 -1.28432 -0.12669 -3.17887 136 4PX -0.02882 0.00233 -0.00155 0.03391 137 4PY -0.02376 0.00785 -0.00150 -0.00406 138 4PZ -0.00602 0.01435 -0.00036 0.01553 139 5PX -0.22870 0.22522 -0.37472 -0.74397 140 5PY -0.83589 0.26307 -0.91882 -0.03960 141 5PZ -0.10400 -0.22156 -0.07552 -0.31539 142 6PX -0.79894 0.03508 -0.07514 -1.01272 143 6PY 0.91122 -0.20321 0.25287 0.26630 144 6PZ -0.28778 0.49297 -0.07727 -0.48342 145 7D 0 -0.01877 0.02724 -0.03713 0.01318 146 7D+1 0.01864 0.01662 -0.00192 -0.01113 147 7D-1 0.01128 0.00592 -0.01337 0.00396 148 7D+2 -0.01539 -0.00974 -0.06891 0.00615 149 7D-2 0.03193 -0.01237 0.00095 0.00229 150 8D 0 0.10463 -0.11036 0.16894 -0.05716 151 8D+1 -0.08176 -0.05534 -0.00012 0.05637 152 8D-1 -0.04039 -0.02095 0.05537 -0.02573 153 8D+2 0.08796 0.02536 0.29537 -0.01952 154 8D-2 -0.13914 0.05201 -0.01373 -0.03029 155 8 Cu 1S 0.08029 -0.31893 0.79629 -1.04847 156 2S 0.14877 -0.58377 1.43165 -1.71526 157 3S -0.02777 0.26102 -1.68306 0.27859 158 4PX -0.00877 -0.02013 -0.01502 -0.00204 159 4PY -0.01489 0.05477 0.02560 0.03596 160 4PZ 0.01114 -0.03911 -0.06557 0.03460 161 5PX -0.24834 0.46689 0.44558 -0.23281 162 5PY 0.21495 -1.18287 -1.35430 1.23012 163 5PZ -0.37722 1.76586 1.14378 0.20835 164 6PX 0.35037 -1.53735 -0.09374 -0.00330 165 6PY -1.12309 4.70730 0.47520 -0.11881 166 6PZ 0.88936 -3.71140 -0.09629 -0.35870 167 7D 0 -0.00262 0.04080 0.01661 -0.01353 168 7D+1 -0.02092 -0.01238 -0.00497 -0.00482 169 7D-1 -0.01885 0.05031 0.02017 0.00362 170 7D+2 -0.01801 0.03720 0.03198 0.00112 171 7D-2 0.00721 0.02710 0.01636 0.00094 172 8D 0 0.00630 -0.17024 -0.04489 0.07476 173 8D+1 0.10477 0.05347 0.03531 0.02804 174 8D-1 0.08025 -0.20726 -0.11118 -0.06211 175 8D+2 0.07217 -0.14357 -0.14720 0.03958 176 8D-2 -0.02463 -0.10645 -0.07885 0.00769 177 9 C 1S 0.00019 -0.00014 0.00777 -0.04090 178 2S 0.00785 -0.00905 0.27994 -0.84920 179 3S -0.02539 0.01774 -1.76741 3.13160 180 4PX -0.02856 -0.00371 -0.01869 -0.02720 181 4PY -0.00683 0.00424 0.07717 0.11070 182 4PZ -0.00243 0.02881 -0.01858 -0.02622 183 5PX 0.64247 0.07822 -0.18666 -1.06991 184 5PY 0.15308 -0.09842 0.77358 4.39605 185 5PZ 0.05548 -0.66432 -0.16661 -0.99519 186 10 O 1S -0.00004 0.00020 0.00490 -0.01218 187 2S 0.00318 -0.01154 -0.50169 -0.60865 188 3S -0.00696 0.02833 1.44557 2.18906 189 4PX 0.06655 0.00877 -0.01286 -0.03687 190 4PY 0.01707 -0.01233 0.05333 0.15016 191 4PZ 0.00532 -0.06785 -0.01037 -0.03445 192 5PX -0.29879 -0.04031 -0.04568 0.06105 193 5PY -0.07737 0.06073 0.18502 -0.24630 194 5PZ -0.02396 0.30528 -0.04978 0.05406 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.99541 2 2S -0.00036 0.25534 3 3S 0.04491 -0.15626 0.68149 4 4PX 0.00045 0.00065 -0.00396 2.00067 5 4PY -0.00173 -0.00231 0.01424 -0.00229 2.00947 6 4PZ 0.00043 0.00064 -0.00386 0.00053 -0.00215 7 5PX -0.00524 -0.01326 -0.04887 0.01554 0.00274 8 5PY 0.02127 0.05381 0.19428 0.00283 0.00488 9 5PZ -0.00493 -0.01240 -0.04723 -0.00069 0.00266 10 6PX 0.00061 0.02199 -0.00765 -0.01813 -0.00158 11 6PY -0.00321 -0.08344 0.02904 -0.00154 -0.01311 12 6PZ 0.00048 0.02217 -0.00664 0.00051 -0.00166 13 7D 0 -0.00043 0.02388 -0.06643 -0.00148 0.01312 14 7D+1 0.00009 -0.00491 0.01187 -0.00499 -0.00393 15 7D-1 -0.00037 0.02018 -0.04959 -0.00392 0.01193 16 7D+2 -0.00082 0.04142 -0.10096 -0.00907 0.01964 17 7D-2 -0.00042 0.02157 -0.05214 0.00290 0.01219 18 8D 0 0.00072 0.00743 -0.01894 -0.00071 0.00372 19 8D+1 -0.00015 -0.00152 0.00324 -0.00063 -0.00099 20 8D-1 0.00061 0.00626 -0.01369 -0.00099 0.00342 21 8D+2 0.00122 0.01281 -0.02802 -0.00236 0.00598 22 8D-2 0.00063 0.00669 -0.01443 0.00060 0.00357 23 2 Cu 1S -0.00086 -0.00230 -0.00667 -0.00365 -0.00065 24 2S -0.00294 0.12155 -0.10826 -0.03774 -0.02004 25 3S -0.01082 0.10070 -0.15231 -0.02784 -0.01373 26 4PX -0.00076 0.01189 0.08411 0.00134 -0.00065 27 4PY -0.00192 -0.00752 0.01645 0.00197 0.00234 28 4PZ 0.00138 -0.00589 -0.07187 -0.00058 0.00020 29 5PX 0.00314 -0.03075 0.04661 -0.00029 0.00120 30 5PY 0.00070 -0.00128 0.01334 -0.00149 -0.00722 31 5PZ -0.00263 0.02359 -0.04019 -0.00602 -0.00165 32 6PX 0.00110 -0.00365 0.02654 -0.00222 0.00030 33 6PY 0.00080 0.02606 0.00467 -0.00877 0.00391 34 6PZ -0.00109 -0.00849 -0.02220 0.00576 -0.00147 35 7D 0 0.00088 0.01388 0.03325 -0.01255 -0.00331 36 7D+1 -0.00074 -0.05359 -0.24861 0.02375 0.00721 37 7D-1 0.00004 -0.00418 -0.08193 0.00312 -0.00348 38 7D+2 0.00135 0.04288 0.11429 -0.01291 -0.00416 39 7D-2 0.00119 0.01902 0.08732 -0.00481 0.00570 40 8D 0 0.00043 0.00410 0.01233 -0.00492 -0.00144 41 8D+1 -0.00077 -0.01967 -0.08205 0.00485 0.00237 42 8D-1 -0.00009 -0.00171 -0.02774 0.00088 -0.00267 43 8D+2 0.00081 0.01463 0.03831 -0.00140 -0.00187 44 8D-2 0.00061 0.00565 0.03118 -0.00085 0.00350 45 3 Cu 1S -0.00360 -0.00646 -0.00149 -0.00107 -0.00200 46 2S -0.00419 0.07697 -0.09127 -0.02038 -0.02940 47 3S -0.00356 -0.02477 -0.11362 -0.00513 0.00189 48 4PX 0.00019 -0.00224 0.01974 0.00340 0.00043 49 4PY 0.00205 0.02617 0.01972 -0.00017 -0.00283 50 4PZ -0.00096 -0.00883 -0.02320 -0.00043 0.00193 51 5PX 0.00128 0.01164 -0.00390 -0.00862 -0.00034 52 5PY 0.00445 -0.04825 0.07749 0.00167 0.01204 53 5PZ -0.00272 0.01069 -0.02852 -0.00068 -0.00812 54 6PX 0.00150 -0.01781 0.00763 0.01609 -0.00146 55 6PY -0.00025 0.01210 0.02351 -0.01883 -0.00503 56 6PZ -0.00107 0.00799 -0.01571 -0.00236 0.00439 57 7D 0 -0.00041 -0.00704 -0.05249 0.00003 -0.00029 58 7D+1 0.00140 -0.00638 -0.08073 -0.00334 0.00395 59 7D-1 0.00069 -0.04063 -0.17631 0.00850 0.01862 60 7D+2 -0.00072 -0.03426 -0.13558 0.00508 0.00975 61 7D-2 -0.00103 0.01754 0.03731 0.00147 -0.00906 62 8D 0 -0.00026 -0.00261 -0.01722 -0.00029 -0.00080 63 8D+1 0.00048 -0.00258 -0.02604 -0.00179 0.00126 64 8D-1 0.00046 -0.01313 -0.05850 0.00247 0.00508 65 8D+2 -0.00019 -0.01107 -0.04513 0.00175 0.00184 66 8D-2 -0.00070 0.00512 0.01257 0.00190 -0.00236 67 4 Cu 1S -0.00359 -0.00646 -0.00140 0.00221 -0.00132 68 2S -0.00420 0.07677 -0.09013 0.03708 -0.01730 69 3S -0.00360 -0.02491 -0.11352 0.00472 0.00394 70 4PX -0.00125 -0.01088 -0.03127 0.00220 0.00239 71 4PY 0.00174 0.02434 0.00903 0.00311 -0.00167 72 4PZ -0.00074 -0.00747 -0.01492 -0.00057 0.00156 73 5PX -0.00364 0.01181 -0.03550 -0.00246 -0.00868 74 5PY 0.00344 -0.04809 0.07075 -0.01106 0.00733 75 5PZ -0.00200 0.01052 -0.02357 0.00398 -0.00571 76 6PX -0.00151 0.01208 -0.02035 0.00526 0.00723 77 6PY -0.00076 0.01753 0.01841 0.02771 0.00717 78 6PZ -0.00045 0.00423 -0.01084 -0.00191 0.00279 79 7D 0 0.00030 -0.01511 -0.10928 -0.00296 0.00333 80 7D+1 -0.00117 0.02077 0.12422 0.00674 -0.00864 81 7D-1 -0.00007 -0.02440 -0.09979 -0.01185 0.00696 82 7D+2 -0.00165 -0.00202 -0.01811 -0.00180 -0.00524 83 7D-2 0.00009 -0.04412 -0.15027 -0.01532 0.01215 84 8D 0 0.00001 -0.00544 -0.03578 -0.00028 0.00055 85 8D+1 -0.00050 0.00702 0.04075 0.00152 -0.00277 86 8D-1 0.00008 -0.00784 -0.03326 -0.00360 0.00171 87 8D+2 -0.00082 -0.00095 -0.00612 -0.00164 -0.00251 88 8D-2 0.00034 -0.01384 -0.05019 -0.00350 0.00288 89 5 Cu 1S -0.00084 -0.00229 -0.00687 -0.00032 -0.00153 90 2S -0.00292 0.12126 -0.11331 -0.00063 -0.02990 91 3S -0.01056 0.10030 -0.15373 -0.00049 -0.02112 92 4PX 0.00031 0.00309 0.00697 0.00162 -0.00035 93 4PY -0.00219 -0.00520 0.03784 0.00013 0.00275 94 4PZ -0.00109 0.01396 0.10590 0.00013 -0.00083 95 5PX 0.00026 -0.00369 0.00329 -0.00886 0.00009 96 5PY 0.00145 -0.00825 0.02457 -0.00044 -0.00661 97 5PZ 0.00381 -0.03764 0.05764 0.00097 0.00414 98 6PX -0.00004 -0.00651 0.00224 0.00103 -0.00027 99 6PY 0.00098 0.02828 0.01061 -0.00188 0.00183 100 6PZ 0.00136 -0.00169 0.03235 -0.00063 -0.00045 101 7D 0 0.00106 0.05928 0.21659 -0.00439 -0.01588 102 7D+1 -0.00018 0.00534 0.02115 0.01342 -0.00051 103 7D-1 0.00147 0.03977 0.19105 -0.00073 -0.00119 104 7D+2 0.00090 0.00736 -0.05359 -0.00048 -0.00184 105 7D-2 0.00060 0.00906 0.00739 0.00585 0.00043 106 8D 0 0.00089 0.02142 0.07117 -0.00132 -0.00537 107 8D+1 -0.00002 0.00234 0.00617 0.00668 -0.00007 108 8D-1 0.00092 0.01328 0.06558 -0.00007 0.00187 109 8D+2 0.00031 0.00147 -0.01681 0.00004 -0.00156 110 8D-2 0.00027 0.00259 0.00323 0.00277 0.00023 111 6 Cu 1S 0.00055 -0.00184 0.00284 -0.00048 0.00198 112 2S 0.00048 -0.07487 0.03363 -0.00314 0.01284 113 3S 0.00282 -0.02624 0.04470 -0.00163 0.00626 114 4PX 0.00047 0.00027 0.00348 0.00165 0.00079 115 4PY -0.00194 -0.00114 -0.01310 0.00079 -0.00140 116 4PZ 0.00042 0.00028 0.00341 -0.00017 0.00072 117 5PX -0.00008 0.00193 -0.00743 -0.00489 -0.00139 118 5PY 0.00035 -0.00804 0.02968 -0.00137 0.00046 119 5PZ -0.00006 0.00164 -0.00715 0.00031 -0.00129 120 6PX 0.00004 0.00607 0.00643 0.00690 0.00012 121 6PY -0.00018 -0.02637 -0.02583 0.00003 0.00665 122 6PZ -0.00002 0.00508 0.00624 -0.00013 0.00014 123 7D 0 0.00082 0.00129 0.06355 0.00075 0.00169 124 7D+1 -0.00015 -0.00020 -0.01335 -0.00157 0.00005 125 7D-1 0.00064 0.00095 0.05276 0.00005 -0.00051 126 7D+2 0.00135 0.00214 0.10324 0.00203 0.00129 127 7D-2 0.00070 0.00111 0.05445 -0.00590 -0.00095 128 8D 0 0.00018 0.00214 0.02166 0.00031 -0.00011 129 8D+1 -0.00003 -0.00041 -0.00454 -0.00020 0.00023 130 8D-1 0.00014 0.00171 0.01797 0.00024 -0.00079 131 8D+2 0.00029 0.00360 0.03519 0.00120 -0.00055 132 8D-2 0.00015 0.00187 0.01855 -0.00222 -0.00096 133 7 Cu 1S -0.00086 -0.00229 -0.00656 0.00434 0.00103 134 2S -0.00296 0.12150 -0.10649 0.05119 -0.00128 135 3S -0.01085 0.10087 -0.15205 0.03738 -0.00011 136 4PX 0.00180 -0.00909 -0.10007 0.00220 0.00061 137 4PY -0.00137 -0.01194 -0.02273 -0.00252 0.00163 138 4PZ 0.00098 -0.00279 -0.04361 0.00052 0.00028 139 5PX -0.00377 0.03406 -0.05746 0.00167 0.00184 140 5PY -0.00074 0.01239 -0.00837 0.00507 -0.00580 141 5PZ -0.00159 0.01398 -0.02471 0.00432 0.00046 142 6PX -0.00158 -0.00913 -0.03166 -0.00664 -0.00514 143 6PY 0.00028 0.02439 -0.00738 0.00579 0.00609 144 6PZ -0.00079 -0.00744 -0.01399 -0.00394 -0.00287 145 7D 0 0.00055 -0.00993 -0.08672 -0.00295 -0.00048 146 7D+1 0.00046 0.03607 0.19557 0.02239 0.00345 147 7D-1 0.00042 0.01436 0.02323 0.00779 -0.00107 148 7D+2 0.00191 0.05480 0.20851 0.02212 0.00864 149 7D-2 0.00035 0.02631 0.04725 0.01449 -0.00366 150 8D 0 0.00007 -0.00464 -0.02744 0.00077 0.00017 151 8D+1 0.00053 0.01330 0.06493 0.00537 0.00070 152 8D-1 0.00024 0.00492 0.00763 0.00222 -0.00146 153 8D+2 0.00116 0.01842 0.07105 0.00383 0.00254 154 8D-2 0.00030 0.00965 0.01440 0.00351 -0.00366 155 8 Cu 1S -0.00356 -0.00644 -0.00167 0.00027 -0.00234 156 2S -0.00415 0.07657 -0.09408 0.00339 -0.03569 157 3S -0.00365 -0.02425 -0.11285 -0.00127 0.00089 158 4PX -0.00040 -0.00575 -0.00137 0.00250 0.00132 159 4PY 0.00220 0.02709 0.02573 0.00122 -0.00338 160 4PZ 0.00036 -0.00086 0.02662 0.00007 0.00032 161 5PX -0.00077 0.01163 -0.01681 -0.00774 -0.00475 162 5PY 0.00496 -0.04838 0.08086 -0.00433 0.01479 163 5PZ 0.00190 0.01059 0.00011 -0.00012 0.00106 164 6PX 0.00034 -0.00511 -0.00322 0.00350 0.00301 165 6PY 0.00025 0.01098 0.02560 -0.00016 -0.01053 166 6PZ 0.00188 -0.02351 0.01152 0.00216 0.00126 167 7D 0 -0.00114 -0.02347 -0.04543 -0.00035 0.00889 168 7D+1 0.00004 -0.00534 -0.00042 -0.00114 0.00297 169 7D-1 -0.00167 0.02782 0.10192 0.00160 -0.01693 170 7D+2 0.00022 -0.04055 -0.20241 -0.00582 0.01611 171 7D-2 -0.00019 -0.01336 -0.07340 0.00730 0.00631 172 8D 0 -0.00026 -0.00708 -0.01584 -0.00004 0.00193 173 8D+1 0.00012 -0.00145 -0.00036 0.00028 0.00091 174 8D-1 -0.00097 0.00865 0.03381 0.00051 -0.00467 175 8D+2 0.00013 -0.01351 -0.06681 -0.00213 0.00369 176 8D-2 -0.00010 -0.00454 -0.02423 0.00380 0.00184 177 9 C 1S 0.00725 -0.03901 0.15743 0.00675 -0.02759 178 2S -0.01312 0.08151 -0.30180 -0.01505 0.06141 179 3S -0.00595 0.10603 -0.26198 -0.02344 0.09631 180 4PX 0.00191 -0.02772 0.03928 -0.01675 -0.02107 181 4PY -0.00779 0.11356 -0.16290 -0.02111 0.06451 182 4PZ 0.00178 -0.02601 0.03546 0.00484 -0.01984 183 5PX -0.00287 -0.00509 0.00044 -0.01396 -0.00269 184 5PY 0.01177 0.02086 -0.00301 -0.00267 -0.00354 185 5PZ -0.00267 -0.00488 -0.00004 0.00062 -0.00257 186 10 O 1S -0.00185 0.00265 -0.02076 -0.00143 0.00585 187 2S 0.00465 -0.00825 0.05930 0.00341 -0.01396 188 3S 0.01442 0.01469 0.09965 0.00613 -0.02506 189 4PX -0.00007 0.01185 0.01414 0.00450 0.01021 190 4PY 0.00035 -0.04830 -0.05514 0.01027 -0.03503 191 4PZ -0.00010 0.01104 0.01338 -0.00236 0.00971 192 5PX 0.00026 0.00142 0.00396 0.00799 0.00397 193 5PY -0.00101 -0.00569 -0.01445 0.00399 -0.00738 194 5PZ 0.00022 0.00128 0.00402 -0.00092 0.00379 6 7 8 9 10 6 4PZ 2.00064 7 5PX -0.00073 0.18006 8 5PY 0.00288 -0.01219 0.22730 9 5PZ 0.01554 0.00250 -0.01070 0.18283 10 6PX 0.00016 -0.04288 -0.01882 0.00475 0.37105 11 6PY -0.00136 -0.01954 0.03169 -0.01860 0.04745 12 6PZ -0.01712 0.00417 -0.01640 -0.04379 -0.01236 13 7D 0 -0.00234 -0.01265 -0.05558 -0.01399 -0.00853 14 7D+1 0.00054 0.07465 0.02606 -0.01114 0.04894 15 7D-1 0.00587 0.02590 -0.05286 -0.07747 0.01447 16 7D+2 -0.00840 0.05777 -0.05683 0.06351 0.01753 17 7D-2 -0.00390 -0.03655 -0.04771 0.02589 0.03113 18 8D 0 -0.00110 -0.00347 -0.01760 -0.00223 -0.00374 19 8D+1 -0.00001 0.02287 0.00843 -0.00246 0.01929 20 8D-1 0.00103 0.00839 -0.01765 -0.02637 0.00536 21 8D+2 -0.00201 0.01957 -0.01877 0.02017 0.00592 22 8D-2 -0.00098 -0.01411 -0.01628 0.00839 0.01268 23 2 Cu 1S 0.00309 0.00034 -0.00620 0.00226 0.00442 24 2S 0.03653 0.10690 0.04547 -0.09891 -0.10557 25 3S 0.02669 -0.01928 -0.00245 0.01782 -0.10227 26 4PX 0.00050 0.00106 0.00002 -0.01027 -0.02293 27 4PY -0.00176 -0.01384 -0.00091 0.00567 0.02186 28 4PZ 0.00196 -0.00434 -0.00475 -0.00730 -0.03614 29 5PX -0.00730 0.01826 0.00379 -0.01220 0.00652 30 5PY 0.00029 0.00770 -0.00256 -0.00311 -0.00912 31 5PZ -0.00375 -0.01330 0.00002 0.01481 -0.01217 32 6PX 0.00199 0.00309 0.00559 -0.00051 -0.01278 33 6PY 0.00507 -0.01515 -0.00671 0.01675 0.07368 34 6PZ -0.00298 0.00787 0.00073 -0.00067 -0.07514 35 7D 0 -0.00654 0.11178 0.03542 0.08954 0.19054 36 7D+1 -0.01704 -0.12212 -0.07873 0.08278 0.08455 37 7D-1 -0.00138 -0.01942 0.02343 0.01453 -0.00088 38 7D+2 0.01833 0.04203 0.03365 -0.12352 0.02561 39 7D-2 0.00871 0.02165 -0.05041 -0.07351 -0.16443 40 8D 0 -0.00405 0.03577 0.01127 0.03006 0.06379 41 8D+1 -0.00272 -0.04113 -0.02764 0.02851 0.03040 42 8D-1 0.00002 -0.00621 0.00700 0.00524 0.00021 43 8D+2 0.00533 0.01350 0.01119 -0.04053 0.00882 44 8D-2 0.00270 0.00589 -0.01654 -0.02294 -0.05357 45 3 Cu 1S 0.00163 -0.00241 -0.00259 0.00273 -0.00398 46 2S 0.02705 0.06505 0.03611 -0.06276 -0.10340 47 3S 0.00278 0.00799 -0.07835 0.02716 -0.05405 48 4PX -0.00066 -0.00986 -0.00106 -0.00040 0.02016 49 4PY 0.00240 0.00635 0.01840 -0.01662 -0.02233 50 4PZ 0.00228 -0.00343 -0.01117 -0.00427 -0.03200 51 5PX 0.00009 0.01971 0.02173 -0.00822 -0.02048 52 5PY -0.00960 0.00125 -0.01123 0.01144 -0.00677 53 5PZ -0.00491 0.00004 -0.00324 0.02195 -0.01909 54 6PX -0.00879 0.05157 0.01891 -0.04733 -0.14167 55 6PY 0.01680 -0.06234 0.01258 0.04220 0.11813 56 6PZ 0.00293 -0.01330 -0.01947 0.01823 0.05480 57 7D 0 -0.00418 0.01049 -0.02368 0.01974 -0.11535 58 7D+1 -0.00234 0.00963 -0.05611 0.03721 0.00793 59 7D-1 -0.00623 -0.03315 -0.15994 0.04539 0.03107 60 7D+2 -0.01221 0.00469 -0.09808 0.06539 0.02984 61 7D-2 0.00832 0.00035 0.05457 -0.05260 0.01328 62 8D 0 -0.00233 0.00313 -0.00793 0.00657 -0.03704 63 8D+1 -0.00040 0.00201 -0.01924 0.01390 0.00527 64 8D-1 -0.00050 -0.01159 -0.05267 0.01467 0.01067 65 8D+2 -0.00367 0.00220 -0.03159 0.02140 0.00930 66 8D-2 0.00255 -0.00022 0.01762 -0.01723 0.00523 67 4 Cu 1S 0.00112 0.00389 -0.00128 0.00182 0.00570 68 2S 0.01829 -0.08861 0.00354 -0.03909 0.11738 69 3S 0.00119 0.03163 -0.07337 0.02242 0.08093 70 4PX -0.00051 0.00094 -0.01034 0.00633 0.02864 71 4PY 0.00191 -0.01921 0.01056 -0.01096 0.03165 72 4PZ 0.00232 0.00744 -0.00704 -0.00713 0.02515 73 5PX 0.00363 0.02397 -0.00667 0.00248 -0.01112 74 5PY -0.00673 0.01726 -0.01392 0.01172 -0.00767 75 5PZ -0.00634 -0.00027 0.00108 0.02031 0.01805 76 6PX 0.00023 0.04027 -0.01365 0.01979 -0.08655 77 6PY 0.01185 0.08288 0.03641 0.03366 -0.17633 78 6PZ 0.00178 0.00836 -0.00977 0.00480 -0.01641 79 7D 0 -0.00550 0.02943 -0.06436 0.03892 0.06708 80 7D+1 0.00207 -0.05935 0.08717 -0.03093 0.07655 81 7D-1 0.00201 0.06697 -0.07282 -0.00978 -0.01385 82 7D+2 0.00009 -0.01400 0.00817 -0.00638 0.02595 83 7D-2 -0.01203 0.08184 -0.11545 0.07137 -0.02633 84 8D 0 -0.00250 0.01087 -0.02122 0.01332 0.01946 85 8D+1 -0.00051 -0.02076 0.02866 -0.01095 0.02757 86 8D-1 0.00168 0.02215 -0.02381 -0.00407 -0.00443 87 8D+2 0.00006 -0.00535 0.00280 -0.00226 0.00919 88 8D-2 -0.00368 0.02586 -0.03756 0.02330 -0.00713 89 5 Cu 1S -0.00455 0.00134 -0.00644 0.00002 0.00066 90 2S -0.04755 0.00401 0.07386 0.13436 -0.00802 91 3S -0.03476 -0.00141 -0.00616 -0.02561 -0.01415 92 4PX -0.00056 -0.01147 -0.00162 0.00562 -0.05820 93 4PY 0.00248 -0.00413 -0.00231 -0.01338 -0.01089 94 4PZ 0.00130 0.00181 0.00444 0.00635 0.00013 95 5PX 0.00177 0.00416 0.00217 0.00045 -0.01293 96 5PY 0.00073 0.00280 0.00032 0.01325 -0.00537 97 5PZ 0.00413 0.00121 0.00836 0.02627 0.00289 98 6PX 0.00168 0.00534 0.00378 0.00350 -0.07267 99 6PY -0.01149 0.00030 -0.00962 -0.02110 0.00465 100 6PZ -0.00437 -0.00200 0.00576 0.00090 0.01563 101 7D 0 -0.02867 0.03070 0.12822 0.13061 0.05784 102 7D+1 -0.00472 -0.14892 -0.00284 0.02922 -0.21144 103 7D-1 -0.02079 -0.00709 0.00777 0.12255 -0.00024 104 7D+2 -0.00127 0.00544 0.00566 0.00759 0.09518 105 7D-2 -0.00452 -0.06067 -0.00969 0.03125 -0.33068 106 8D 0 -0.00495 0.00993 0.04372 0.04403 0.01874 107 8D+1 -0.00117 -0.04892 -0.00044 0.01034 -0.06949 108 8D-1 -0.00492 -0.00267 0.00309 0.03907 0.00014 109 8D+2 -0.00038 0.00174 0.00043 0.00122 0.03178 110 8D-2 -0.00131 -0.01959 -0.00364 0.00945 -0.10981 111 6 Cu 1S -0.00043 0.00058 -0.00242 0.00053 -0.00065 112 2S -0.00290 0.01688 -0.06878 0.01571 -0.00368 113 3S -0.00152 -0.00575 0.02410 -0.00575 -0.01255 114 4PX -0.00018 -0.00185 -0.00112 0.00027 -0.04317 115 4PY 0.00072 -0.00108 0.00231 -0.00102 -0.00764 116 4PZ 0.00168 0.00027 -0.00116 -0.00201 0.00233 117 5PX 0.00032 0.01559 0.00189 -0.00043 -0.01452 118 5PY -0.00125 0.00170 0.00863 0.00150 -0.00099 119 5PZ -0.00496 -0.00044 0.00184 0.01567 0.00019 120 6PX 0.00010 0.02475 0.01463 -0.00307 -0.03148 121 6PY -0.00002 0.01468 -0.03241 0.01377 -0.00640 122 6PZ 0.00661 -0.00351 0.01318 0.02604 0.00199 123 7D 0 0.00422 -0.00621 0.02167 -0.01753 0.01382 124 7D+1 0.00239 -0.00170 -0.00746 -0.00609 -0.06260 125 7D-1 -0.00430 -0.00741 0.02471 0.01838 -0.02184 126 7D+2 -0.00053 -0.02210 0.04050 -0.01321 -0.07863 127 7D-2 0.00005 0.01886 0.02797 -0.00673 0.12694 128 8D 0 0.00154 -0.00231 0.00935 -0.00606 0.00434 129 8D+1 0.00078 -0.00127 -0.00306 -0.00186 -0.02014 130 8D-1 -0.00186 -0.00304 0.01002 0.00667 -0.00716 131 8D+2 0.00029 -0.00862 0.01673 -0.00564 -0.02627 132 8D-2 0.00023 0.00636 0.01118 -0.00281 0.04287 133 7 Cu 1S 0.00188 0.00278 -0.00572 0.00189 -0.00460 134 2S 0.02320 -0.13890 -0.00659 -0.06184 0.12409 135 3S 0.01697 0.02243 0.00621 0.01150 0.10879 136 4PX 0.00017 -0.00121 -0.00197 0.00537 0.02329 137 4PY -0.00113 0.01465 0.00477 0.00460 -0.02855 138 4PZ 0.00183 0.00340 -0.00303 -0.01058 0.03985 139 5PX 0.00480 0.02528 0.00780 0.00880 0.01041 140 5PY 0.00192 0.00298 -0.00300 0.00236 0.00979 141 5PZ -0.00719 0.00880 0.00437 0.00808 0.01050 142 6PX -0.00268 -0.00576 -0.00425 -0.00446 0.03505 143 6PY 0.00197 0.02044 -0.00101 0.01023 -0.06254 144 6PZ -0.00085 -0.00685 -0.00131 0.00263 0.05510 145 7D 0 -0.01202 -0.00591 -0.01299 0.11542 -0.21460 146 7D+1 -0.00166 -0.14525 0.00857 0.05605 0.04507 147 7D-1 0.00124 -0.04696 0.01860 0.00689 0.01321 148 7D+2 0.01559 -0.11186 -0.03846 -0.11792 0.08618 149 7D-2 0.00603 -0.07285 0.05306 -0.03143 -0.11668 150 8D 0 -0.00481 0.00007 -0.00476 0.03867 -0.07335 151 8D+1 -0.00315 -0.04904 0.00383 0.01758 0.01718 152 8D-1 -0.00020 -0.01553 0.00605 0.00256 0.00431 153 8D+2 0.00466 -0.03602 -0.01170 -0.03844 0.02816 154 8D-2 0.00166 -0.02489 0.01726 -0.01089 -0.03828 155 8 Cu 1S -0.00144 0.00022 -0.00327 -0.00309 -0.00009 156 2S -0.02691 0.00133 0.05337 0.08222 -0.01058 157 3S -0.00592 0.01739 -0.08149 0.00327 0.00425 158 4PX 0.00022 -0.01010 -0.00692 -0.00182 -0.03238 159 4PY -0.00046 -0.00553 0.02286 0.01059 -0.00957 160 4PZ 0.00370 0.00018 0.00118 -0.00884 0.00765 161 5PX -0.00072 0.01838 0.01007 0.00007 -0.04661 162 5PY 0.00376 0.00625 -0.00943 -0.00051 -0.01252 163 5PZ -0.00838 -0.00541 0.02584 0.02110 0.00703 164 6PX 0.00673 0.00274 0.00438 0.02476 -0.01127 165 6PY -0.02057 -0.01080 0.00757 -0.06639 0.00834 166 6PZ 0.01997 0.00263 0.03724 0.07384 -0.02524 167 7D 0 0.00808 0.00474 -0.05129 -0.01489 -0.03490 168 7D+1 0.00144 0.01113 -0.01031 -0.00805 0.15777 169 7D-1 -0.00258 -0.01225 0.12471 0.02698 0.02258 170 7D+2 0.00898 0.05236 -0.16083 -0.02405 -0.02415 171 7D-2 0.00205 -0.03265 -0.06132 0.00132 0.11224 172 8D 0 0.00293 0.00135 -0.01553 -0.00330 -0.01153 173 8D+1 0.00016 0.00420 -0.00289 -0.00228 0.05162 174 8D-1 0.00079 -0.00378 0.04117 0.00929 0.00754 175 8D+2 0.00260 0.01751 -0.05306 -0.00868 -0.00786 176 8D-2 0.00056 -0.01134 -0.02035 0.00026 0.03679 177 9 C 1S 0.00630 -0.01033 0.04191 -0.00971 -0.00645 178 2S -0.01409 0.03295 -0.13462 0.03075 0.00523 179 3S -0.02165 0.02784 -0.11262 0.02610 0.02059 180 4PX 0.00481 0.04206 0.04793 -0.01102 -0.00702 181 4PY -0.01977 0.04793 -0.14247 0.04492 0.04511 182 4PZ -0.01744 -0.01114 0.04560 0.04378 -0.01074 183 5PX 0.00061 0.01662 0.00375 -0.00088 -0.01806 184 5PY -0.00246 0.00370 0.00252 0.00354 -0.00145 185 5PZ -0.01406 -0.00087 0.00351 0.01674 0.00032 186 10 O 1S -0.00134 -0.00324 0.01344 -0.00296 -0.01106 187 2S 0.00321 0.00496 -0.02061 0.00447 0.01928 188 3S 0.00572 0.00741 -0.03079 0.00679 0.03235 189 4PX -0.00233 -0.06667 -0.03744 0.00852 0.12231 190 4PY 0.00963 -0.03734 0.07750 -0.03515 -0.02619 191 4PZ 0.00490 0.00850 -0.03512 -0.06861 0.00455 192 5PX -0.00090 -0.03995 -0.01462 0.00335 0.05491 193 5PY 0.00373 -0.01454 0.01609 -0.01374 0.00040 194 5PZ 0.00815 0.00332 -0.01369 -0.04080 -0.00072 11 12 13 14 15 11 6PY 0.19132 12 6PZ 0.04837 0.39285 13 7D 0 -0.05651 -0.03832 1.51165 14 7D+1 0.01470 -0.02423 -0.00244 1.51917 15 7D-1 -0.03108 -0.00324 0.01457 0.01282 1.46320 16 7D+2 -0.05832 0.04015 -0.01782 -0.00893 0.00080 17 7D-2 -0.02596 0.01361 -0.01068 0.01581 0.00461 18 8D 0 -0.02086 -0.01609 0.47686 0.00006 0.00088 19 8D+1 0.00540 -0.00988 -0.00021 0.47642 0.00073 20 8D-1 -0.01095 -0.00079 0.00293 0.00180 0.46897 21 8D+2 -0.02073 0.01527 -0.00173 -0.00160 0.00202 22 8D-2 -0.00884 0.00510 -0.00089 0.00154 0.00131 23 2 Cu 1S -0.00027 -0.00297 -0.00003 0.00216 0.00202 24 2S -0.01755 0.08937 0.00536 -0.02485 0.00177 25 3S 0.00915 0.08019 0.01938 -0.10490 -0.00314 26 4PX 0.01812 -0.03856 0.01002 -0.02127 -0.00270 27 4PY 0.00431 -0.04385 0.00413 -0.00596 0.01327 28 4PZ -0.04100 -0.01830 0.00710 0.01330 -0.00038 29 5PX -0.00066 -0.01657 -0.04257 0.06551 0.00713 30 5PY 0.00579 -0.00143 -0.00886 0.02477 -0.03082 31 5PZ -0.00780 -0.00183 -0.02464 -0.04279 0.00033 32 6PX -0.02225 -0.03805 0.01152 -0.01635 -0.00497 33 6PY -0.04007 -0.07219 0.01319 -0.01425 0.02401 34 6PZ 0.00222 -0.01903 0.01106 0.00783 0.00128 35 7D 0 0.14884 0.23406 0.02743 -0.01097 -0.00332 36 7D+1 0.10075 -0.08451 -0.01265 -0.03107 0.00177 37 7D-1 0.04197 -0.21480 0.00717 -0.00380 0.01809 38 7D+2 0.05225 -0.03672 -0.02525 0.01996 0.00873 39 7D-2 -0.05055 -0.15326 -0.00868 0.01087 -0.04955 40 8D 0 0.04955 0.07650 0.00178 -0.00092 -0.00075 41 8D+1 0.03373 -0.02961 -0.00181 -0.00904 0.00173 42 8D-1 0.01456 -0.07229 0.00271 -0.00022 0.00508 43 8D+2 0.01818 -0.01206 -0.00330 0.00737 0.00019 44 8D-2 -0.01677 -0.05156 -0.00125 0.00248 -0.01171 45 3 Cu 1S -0.00316 0.00387 0.00187 0.00186 0.00090 46 2S -0.00703 0.08359 0.00093 0.01501 -0.04233 47 3S -0.04910 0.05716 0.02021 -0.00748 -0.07938 48 4PX 0.00315 -0.04307 0.00312 0.00188 -0.00462 49 4PY 0.00221 0.00168 -0.00189 -0.00610 -0.01995 50 4PZ -0.01761 -0.00559 0.01216 0.00137 0.00515 51 5PX -0.01288 -0.01798 -0.01901 -0.00409 0.01906 52 5PY 0.00605 -0.01827 -0.00002 0.02077 0.06225 53 5PZ -0.01364 -0.03127 -0.02049 -0.00378 -0.02767 54 6PX 0.02044 0.09597 -0.01258 0.05294 0.00301 55 6PY 0.00396 -0.09388 0.00426 -0.08329 -0.05312 56 6PZ -0.01969 -0.04115 0.02360 -0.00527 0.01160 57 7D 0 -0.06231 -0.11572 0.02991 -0.00824 -0.02094 58 7D+1 0.05304 0.01257 -0.01297 -0.00250 -0.00478 59 7D-1 0.03258 -0.00619 -0.02090 -0.00296 -0.01483 60 7D+2 -0.00062 0.04326 0.01597 -0.02100 -0.00335 61 7D-2 -0.00810 0.11043 -0.00111 -0.02043 0.02284 62 8D 0 -0.02032 -0.03849 0.00523 -0.00158 -0.00323 63 8D+1 0.01890 0.00169 -0.00388 -0.00180 0.00038 64 8D-1 0.01106 -0.00261 -0.00346 -0.00051 -0.00611 65 8D+2 -0.00059 0.01464 0.00201 -0.00439 -0.00018 66 8D-2 -0.00283 0.03548 0.00364 -0.00414 0.00602 67 4 Cu 1S -0.00116 0.00231 0.00273 -0.00154 0.00062 68 2S 0.03963 0.05003 0.00160 0.00797 -0.02826 69 3S -0.02027 0.04089 0.00444 0.03665 -0.03857 70 4PX 0.00094 0.02808 0.00416 -0.00850 0.00994 71 4PY 0.01290 0.00904 -0.00714 0.01120 -0.00913 72 4PZ -0.00468 -0.02531 0.01206 0.00337 -0.00004 73 5PX -0.00042 0.01893 -0.00032 0.03008 -0.02855 74 5PY 0.00797 -0.01054 0.02140 -0.03404 0.02578 75 5PZ -0.00735 -0.04250 -0.02543 -0.00477 -0.00662 76 6PX -0.06210 -0.02993 0.01225 -0.00172 0.02279 77 6PY -0.07776 -0.07305 -0.03767 0.08347 -0.00335 78 6PZ -0.02111 -0.01173 0.02079 -0.00082 0.00370 79 7D 0 0.00789 -0.11171 0.00966 0.02424 -0.01821 80 7D+1 -0.04657 -0.11414 0.02920 0.00371 -0.00922 81 7D-1 -0.00446 0.00023 -0.01367 -0.00493 -0.00339 82 7D+2 -0.02547 0.09489 0.00806 0.00843 0.02783 83 7D-2 -0.00626 -0.04157 0.00490 0.01573 -0.01257 84 8D 0 0.00243 -0.03762 0.00091 0.00376 -0.00256 85 8D+1 -0.01546 -0.03628 0.00646 -0.00062 -0.00189 86 8D-1 -0.00154 0.00000 -0.00101 0.00113 -0.00372 87 8D+2 -0.00891 0.03140 0.00381 0.00121 0.00719 88 8D-2 -0.00180 -0.01302 -0.00195 0.00299 -0.00345 89 5 Cu 1S 0.00041 0.00505 -0.00089 0.00006 -0.00260 90 2S -0.04599 -0.13142 0.02979 0.00383 0.01315 91 3S -0.01852 -0.13042 0.11896 0.01569 0.05924 92 4PX -0.01180 0.00101 0.00297 -0.01435 0.00126 93 4PY 0.02410 0.04477 0.02025 0.00187 -0.00710 94 4PZ 0.04072 0.00014 0.02365 0.00490 0.01630 95 5PX -0.00340 0.00543 -0.01121 0.05132 -0.00413 96 5PY 0.00667 -0.00455 -0.06233 -0.00589 0.01846 97 5PZ 0.00715 0.01696 -0.07595 -0.01287 -0.06028 98 6PX -0.01247 -0.00976 0.00073 -0.02387 -0.00096 99 6PY -0.01870 0.11869 0.03603 0.00141 -0.00672 100 6PZ -0.00697 0.02272 0.01052 0.00450 0.01445 101 7D 0 -0.03342 -0.03804 -0.02163 -0.01321 -0.02981 102 7D+1 -0.06794 0.03235 -0.00729 0.04473 -0.00542 103 7D-1 -0.05935 -0.10972 -0.05410 -0.00797 0.03522 104 7D+2 0.17798 0.10105 0.00904 0.00591 -0.01295 105 7D-2 -0.00856 0.08134 -0.00773 0.01406 0.00600 106 8D 0 -0.01125 -0.01472 -0.00976 -0.00348 -0.00503 107 8D+1 -0.02258 0.00978 -0.00110 0.00595 -0.00102 108 8D-1 -0.01993 -0.03642 -0.01454 -0.00223 0.00690 109 8D+2 0.06048 0.03564 0.00036 0.00107 -0.00216 110 8D-2 -0.00229 0.02793 -0.00217 0.00047 0.00100 111 6 Cu 1S 0.00207 -0.00075 0.00294 -0.00057 0.00235 112 2S 0.01574 -0.00357 0.04183 -0.00822 0.03373 113 3S 0.04651 -0.01297 0.00512 -0.00143 0.00560 114 4PX -0.00806 0.00119 0.00191 -0.00381 -0.00007 115 4PY -0.01214 -0.00745 -0.00111 -0.00006 -0.00183 116 4PZ -0.00722 -0.04508 0.00401 0.00167 0.00085 117 5PX -0.00133 0.00043 -0.00304 0.00610 0.00016 118 5PY -0.00993 -0.00039 0.00149 0.00021 0.00258 119 5PZ -0.00180 -0.01518 -0.00610 -0.00253 -0.00165 120 6PX -0.00628 0.00115 -0.01352 0.04027 0.00718 121 6PY -0.00727 -0.00657 -0.00598 0.00716 -0.00341 122 6PZ -0.00542 -0.03217 -0.02134 -0.00966 -0.03174 123 7D 0 0.01430 -0.03176 0.00059 0.00367 -0.00688 124 7D+1 -0.02245 -0.01721 0.00512 -0.00035 -0.00135 125 7D-1 0.04325 0.15956 -0.01695 -0.00686 0.00546 126 7D+2 -0.01005 -0.05240 -0.00280 -0.00075 -0.00862 127 7D-2 0.03757 -0.02161 -0.00671 0.00902 -0.00346 128 8D 0 0.00458 -0.01134 -0.00092 0.00133 -0.00314 129 8D+1 -0.00741 -0.00613 0.00183 -0.00006 -0.00036 130 8D-1 0.01453 0.05334 -0.00666 -0.00228 0.00245 131 8D+2 -0.00327 -0.01704 -0.00241 0.00043 -0.00455 132 8D-2 0.01270 -0.00710 -0.00286 0.00269 -0.00208 133 7 Cu 1S -0.00212 -0.00173 0.00119 -0.00222 0.00061 134 2S 0.03142 0.05449 -0.00515 0.01544 0.00856 135 3S 0.05406 0.04554 -0.02596 0.06923 0.02783 136 4PX -0.02435 0.04220 0.00280 -0.01801 -0.00976 137 4PY -0.01734 -0.01719 0.00335 -0.00709 0.00690 138 4PZ -0.01734 -0.04411 0.01053 0.00381 0.00007 139 5PX -0.00045 0.01209 -0.00292 0.06077 0.02985 140 5PY 0.00966 0.00149 0.00126 0.01404 -0.01459 141 5PZ -0.00281 -0.00967 -0.03788 -0.01479 0.00038 142 6PX 0.05129 0.04476 -0.00181 -0.01763 -0.01131 143 6PY -0.05522 -0.03209 0.00819 -0.00446 0.01755 144 6PZ 0.02002 -0.05331 0.01241 0.01049 0.00430 145 7D 0 0.09608 0.20054 0.00275 0.03039 0.01199 146 7D+1 -0.02498 0.28329 0.02728 0.01075 0.00222 147 7D-1 0.00756 -0.17371 0.01638 0.00507 -0.00540 148 7D+2 0.01943 -0.09404 -0.00861 -0.01440 -0.03085 149 7D-2 0.01900 0.07719 0.00263 -0.02626 0.02451 150 8D 0 0.03146 0.06525 -0.00159 0.00419 0.00272 151 8D+1 -0.00796 0.09447 0.00327 -0.00017 -0.00058 152 8D-1 0.00285 -0.05825 0.00414 0.00003 -0.00047 153 8D+2 0.00667 -0.03108 -0.00011 -0.00273 -0.00890 154 8D-2 0.00723 0.02597 0.00280 -0.00734 0.00455 155 8 Cu 1S -0.00411 -0.00516 -0.00103 -0.00101 0.00137 156 2S -0.03256 -0.12756 -0.04703 -0.01422 0.03441 157 3S -0.06024 -0.06937 -0.04537 -0.02589 0.10372 158 4PX -0.00487 0.01422 0.00284 -0.00690 -0.00255 159 4PY 0.00450 -0.01127 -0.00836 -0.00232 0.01084 160 4PZ 0.02184 0.04566 -0.00548 0.00142 -0.00283 161 5PX -0.01308 0.00624 -0.00787 0.01942 0.00865 162 5PY 0.00929 0.00321 0.02551 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0.04210 -0.00735 0.03988 0.02249 -0.12986 183 5PX -0.00139 0.00048 -0.00794 0.02955 0.00826 184 5PY -0.01356 -0.00191 0.00454 0.00822 -0.00932 185 5PZ -0.00177 -0.01937 0.00927 0.00770 -0.06346 186 10 O 1S 0.04689 -0.01022 0.00382 -0.00078 0.00316 187 2S -0.08217 0.01783 -0.01000 0.00201 -0.00821 188 3S -0.13669 0.02985 -0.03157 0.00648 -0.02623 189 4PX -0.02707 0.00532 0.01109 -0.04296 -0.01328 190 4PY 0.22658 -0.02280 -0.02008 -0.01313 0.01450 191 4PZ -0.02494 0.12152 -0.03544 -0.02453 0.12949 192 5PX 0.00024 -0.00037 0.01063 -0.03425 -0.00859 193 5PY 0.05416 0.00103 -0.01861 -0.00849 0.00510 194 5PZ 0.00066 0.05534 -0.01927 -0.01537 0.09149 16 17 18 19 20 16 7D+2 1.48638 17 7D-2 0.01484 1.46794 18 8D 0 -0.00050 -0.00142 0.15108 19 8D+1 -0.00215 0.00395 0.00021 0.14970 20 8D-1 0.00092 0.00138 -0.00014 -0.00058 0.15073 21 8D+2 0.47375 0.00315 0.00151 -0.00044 0.00125 22 8D-2 0.00261 0.47067 0.00051 0.00021 0.00060 23 2 Cu 1S 0.00018 -0.00141 -0.00025 0.00019 0.00065 24 2S 0.02130 0.00394 -0.00015 -0.01058 0.00230 25 3S 0.07977 0.01764 0.00429 -0.03697 -0.00042 26 4PX 0.00761 0.00323 0.00282 -0.00182 0.00000 27 4PY 0.01088 -0.00982 0.00167 -0.00009 0.00484 28 4PZ -0.01892 -0.00401 0.00221 -0.00030 -0.00087 29 5PX -0.03052 -0.01568 -0.01336 0.02083 0.00235 30 5PY -0.02380 0.03416 -0.00286 0.00752 -0.00968 31 5PZ 0.06192 0.02059 -0.00737 -0.01361 0.00002 32 6PX -0.00490 0.00294 0.00456 -0.00571 -0.00175 33 6PY 0.02685 -0.00951 0.00524 -0.00413 0.00850 34 6PZ -0.02287 -0.00534 0.00385 0.00237 0.00025 35 7D 0 -0.03628 -0.00019 0.00116 -0.00185 -0.00092 36 7D+1 0.02227 0.00358 -0.00120 -0.00387 0.00101 37 7D-1 0.02344 -0.03302 0.00186 0.00108 0.00442 38 7D+2 -0.00414 -0.00034 -0.00333 0.00346 0.00105 39 7D-2 -0.02415 0.02392 -0.00260 0.00044 -0.01067 40 8D 0 -0.00782 0.00206 -0.00191 0.00023 -0.00016 41 8D+1 0.00771 -0.00096 0.00039 -0.00080 0.00071 42 8D-1 0.00566 -0.00556 0.00064 0.00070 0.00113 43 8D+2 -0.00307 0.00081 0.00051 0.00135 -0.00059 44 8D-2 -0.00810 0.00365 -0.00031 -0.00022 -0.00197 45 3 Cu 1S 0.00128 0.00218 0.00070 0.00066 0.00056 46 2S -0.04143 0.03173 -0.00120 0.00341 -0.01353 47 3S -0.03943 0.08575 0.00779 -0.00081 -0.02867 48 4PX -0.00537 -0.00668 0.00119 0.00157 -0.00089 49 4PY -0.01533 0.00292 0.00047 -0.00130 -0.00418 50 4PZ 0.00993 -0.00552 0.00407 -0.00076 0.00034 51 5PX 0.01278 -0.00627 -0.00637 -0.00184 0.00685 52 5PY 0.04207 -0.02426 0.00047 0.00654 0.02017 53 5PZ -0.02233 0.03562 -0.00571 -0.00059 -0.01021 54 6PX -0.04472 -0.03146 -0.00474 0.01631 0.00108 55 6PY 0.01289 0.02731 0.00161 -0.02746 -0.01776 56 6PZ 0.02861 0.00097 0.00889 -0.00085 0.00352 57 7D 0 0.02572 -0.00929 0.00430 -0.00163 -0.00310 58 7D+1 -0.02441 -0.01752 -0.00424 -0.00097 -0.00101 59 7D-1 -0.01417 0.01057 -0.00223 0.00023 -0.00438 60 7D+2 0.00987 0.02563 0.00253 -0.00385 0.00102 61 7D-2 0.03362 0.02618 0.00255 -0.00432 0.00392 62 8D 0 0.00711 -0.00066 -0.00005 -0.00015 0.00013 63 8D+1 -0.00455 -0.00377 -0.00127 -0.00060 0.00028 64 8D-1 -0.00473 -0.00063 0.00038 0.00024 -0.00184 65 8D+2 0.00056 0.00664 -0.00027 -0.00045 0.00066 66 8D-2 0.01052 0.00534 0.00214 -0.00055 0.00077 67 4 Cu 1S 0.00194 -0.00057 0.00105 -0.00065 0.00038 68 2S -0.00058 -0.06228 -0.00152 0.00338 -0.00914 69 3S 0.05200 -0.10068 0.00291 0.01211 -0.01422 70 4PX 0.00857 0.01056 0.00001 -0.00125 0.00241 71 4PY 0.00012 -0.01410 -0.00112 0.00283 -0.00172 72 4PZ -0.00029 0.01013 0.00361 0.00234 -0.00035 73 5PX 0.00608 -0.05075 0.00034 0.00958 -0.00971 74 5PY -0.00371 0.04244 0.00748 -0.01085 0.00824 75 5PZ 0.01412 -0.03498 -0.00739 -0.00109 -0.00305 76 6PX 0.03993 0.02644 0.00528 -0.00139 0.00747 77 6PY 0.07618 0.00318 -0.01173 0.02749 -0.00137 78 6PZ 0.00409 0.01661 0.00787 -0.00019 0.00095 79 7D 0 0.00546 0.01328 0.00022 0.00346 -0.00281 80 7D+1 0.01536 0.02159 0.00557 -0.00033 -0.00107 81 7D-1 0.01620 -0.00861 -0.00002 0.00066 -0.00267 82 7D+2 0.05625 0.01316 0.00310 0.00159 0.00643 83 7D-2 0.00031 -0.01776 0.00004 0.00138 -0.00149 84 8D 0 0.00257 0.00372 -0.00063 -0.00022 0.00015 85 8D+1 0.00447 0.00402 0.00082 -0.00067 0.00001 86 8D-1 0.00172 -0.00118 0.00114 0.00112 -0.00175 87 8D+2 0.01365 0.00349 0.00137 0.00000 0.00147 88 8D-2 -0.00213 -0.00704 -0.00118 -0.00027 -0.00024 89 5 Cu 1S 0.00168 0.00030 0.00024 0.00025 -0.00103 90 2S 0.00483 0.00392 0.01349 0.00312 0.00082 91 3S 0.00785 0.01080 0.04214 0.00688 0.01658 92 4PX -0.00296 -0.00414 0.00060 -0.00453 0.00014 93 4PY 0.01027 0.00265 0.00367 -0.00007 -0.00339 94 4PZ -0.00104 0.00239 0.00127 0.00049 0.00190 95 5PX 0.00338 0.01628 -0.00354 0.01584 -0.00134 96 5PY -0.01834 -0.00156 -0.01937 -0.00177 0.00552 97 5PZ -0.00661 -0.01403 -0.02421 -0.00398 -0.01937 98 6PX -0.00828 -0.00535 0.00051 -0.00864 -0.00037 99 6PY 0.02328 0.00795 0.01177 -0.00002 -0.00202 100 6PZ -0.00628 -0.00052 0.00367 0.00145 0.00549 101 7D 0 0.01270 -0.00184 -0.00325 -0.00163 -0.00433 102 7D+1 0.01290 0.01568 -0.00036 0.00496 -0.00069 103 7D-1 -0.03717 -0.00494 -0.00891 -0.00083 0.00560 104 7D+2 -0.00582 0.00607 0.00028 0.00081 -0.00326 105 7D-2 0.00247 -0.01825 -0.00166 0.00172 0.00043 106 8D 0 0.00220 0.00047 -0.00187 -0.00024 0.00013 107 8D+1 0.00393 0.00064 0.00028 -0.00116 0.00002 108 8D-1 -0.01070 -0.00299 -0.00176 -0.00015 0.00039 109 8D+2 -0.00011 0.00163 -0.00078 -0.00003 -0.00039 110 8D-2 0.00043 -0.00457 -0.00043 -0.00073 -0.00016 111 6 Cu 1S 0.00489 0.00254 0.00082 -0.00016 0.00066 112 2S 0.07003 0.03639 0.01387 -0.00272 0.01120 113 3S 0.01037 0.00571 0.00156 -0.00049 0.00187 114 4PX 0.00090 -0.00141 0.00052 -0.00127 -0.00015 115 4PY -0.00417 -0.00252 -0.00013 -0.00015 -0.00018 116 4PZ -0.00097 -0.00007 0.00081 0.00032 0.00095 117 5PX -0.00115 0.00187 -0.00061 0.00108 -0.00002 118 5PY 0.00632 0.00371 0.00089 0.00000 0.00071 119 5PZ 0.00147 0.00011 -0.00069 -0.00015 -0.00105 120 6PX 0.01256 -0.00912 -0.00453 0.01355 0.00239 121 6PY 0.01180 0.00157 -0.00202 0.00241 -0.00113 122 6PZ 0.02195 0.00760 -0.00722 -0.00326 -0.01058 123 7D 0 -0.00902 -0.00401 -0.00163 0.00090 -0.00181 124 7D+1 0.00205 -0.00311 0.00133 -0.00082 0.00010 125 7D-1 -0.00310 -0.00383 -0.00517 -0.00173 0.00045 126 7D+2 -0.01147 -0.01439 -0.00182 0.00017 -0.00362 127 7D-2 -0.01160 0.01066 -0.00234 0.00253 -0.00152 128 8D 0 -0.00456 -0.00192 -0.00093 0.00032 -0.00083 129 8D+1 0.00140 -0.00154 0.00049 -0.00029 0.00008 130 8D-1 -0.00259 -0.00220 -0.00211 -0.00062 0.00039 131 8D+2 -0.00608 -0.00664 -0.00103 0.00028 -0.00178 132 8D-2 -0.00567 0.00359 -0.00098 0.00078 -0.00081 133 7 Cu 1S -0.00171 0.00115 -0.00007 -0.00040 0.00025 134 2S 0.02221 0.01712 -0.00433 0.00580 0.00386 135 3S 0.08902 0.06187 -0.01146 0.02405 0.00943 136 4PX -0.01618 -0.01646 -0.00181 -0.00119 -0.00227 137 4PY -0.00666 0.01345 0.00130 -0.00197 0.00258 138 4PZ -0.01317 -0.00943 0.00197 0.00315 0.00052 139 5PX 0.05774 0.04914 -0.00086 0.01918 0.00939 140 5PY 0.03026 -0.03549 0.00020 0.00468 -0.00457 141 5PZ 0.04641 0.02616 -0.01164 -0.00440 0.00017 142 6PX -0.01327 -0.01402 -0.00151 -0.00601 -0.00401 143 6PY 0.00678 0.03123 0.00353 -0.00200 0.00608 144 6PZ -0.01673 -0.01159 0.00431 0.00418 0.00135 145 7D 0 -0.00743 -0.00960 -0.00147 0.00351 0.00173 146 7D+1 -0.02123 -0.03222 0.00165 0.00174 0.00019 147 7D-1 -0.01557 0.01894 0.00269 -0.00025 -0.00077 148 7D+2 -0.00686 -0.04851 -0.00327 0.00016 -0.00680 149 7D-2 -0.01821 0.03289 0.00240 -0.00570 0.00505 150 8D 0 -0.00037 -0.00202 -0.00124 -0.00071 0.00020 151 8D+1 -0.00470 -0.00972 -0.00130 -0.00057 -0.00031 152 8D-1 -0.00303 0.00237 0.00041 -0.00061 0.00017 153 8D+2 -0.00449 -0.01423 -0.00020 0.00073 -0.00181 154 8D-2 -0.00276 0.00509 0.00133 -0.00138 0.00045 155 8 Cu 1S 0.00273 0.00147 -0.00018 -0.00032 0.00033 156 2S -0.03235 -0.00810 -0.01367 -0.00353 0.00923 157 3S -0.04527 -0.00122 -0.01841 -0.01004 0.03753 158 4PX 0.00710 -0.00909 0.00075 -0.00280 -0.00085 159 4PY -0.02210 -0.01040 -0.00180 -0.00088 0.00228 160 4PZ -0.00729 -0.00184 -0.00270 0.00049 -0.00225 161 5PX -0.01764 0.01858 -0.00239 0.00604 0.00261 162 5PY 0.06209 0.02324 0.00902 0.00404 -0.01771 163 5PZ 0.01367 -0.00199 0.00814 0.00252 -0.00965 164 6PX 0.01309 -0.01150 -0.00536 -0.00337 -0.00707 165 6PY -0.05188 -0.01735 0.01470 0.00152 0.02099 166 6PZ -0.01621 -0.01177 -0.02034 0.00028 -0.01843 167 7D 0 0.01470 0.00246 0.00117 -0.00130 0.00570 168 7D+1 -0.01569 0.02573 -0.00163 -0.00102 -0.00150 169 7D-1 0.03693 0.02144 0.00870 -0.00089 0.00537 170 7D+2 -0.00878 -0.00944 0.00218 -0.00067 0.00377 171 7D-2 -0.00865 0.03192 0.00196 0.00119 0.00259 172 8D 0 0.00158 -0.00040 -0.00053 -0.00025 0.00082 173 8D+1 -0.00504 0.00560 -0.00045 -0.00044 -0.00041 174 8D-1 0.01166 0.00738 0.00182 -0.00025 0.00131 175 8D+2 -0.00308 -0.00043 0.00017 0.00042 0.00020 176 8D-2 -0.00002 0.00303 0.00065 -0.00095 0.00043 177 9 C 1S 0.00103 0.00055 0.00258 -0.00053 0.00215 178 2S 0.00281 0.00145 -0.00625 0.00128 -0.00520 179 3S 0.09057 0.04691 0.01586 -0.00314 0.01288 180 4PX 0.07124 -0.11577 -0.00382 0.01469 0.00445 181 4PY -0.00094 -0.03826 0.00574 0.00441 -0.00489 182 4PZ 0.04232 0.01979 0.01045 0.00735 -0.04135 183 5PX 0.02898 -0.05273 -0.00202 0.00887 0.00287 184 5PY 0.01798 -0.00771 0.00042 0.00286 -0.00413 185 5PZ 0.01931 0.00822 0.00404 0.00281 -0.02041 186 10 O 1S 0.00653 0.00340 0.00464 -0.00094 0.00384 187 2S -0.01697 -0.00883 -0.01041 0.00210 -0.00860 188 3S -0.05416 -0.02820 -0.01248 0.00255 -0.01035 189 4PX -0.05696 0.11889 0.00541 -0.01340 -0.00252 190 4PY -0.04532 0.01296 -0.01833 -0.00247 -0.00282 191 4PZ -0.02828 -0.01296 -0.01382 -0.01103 0.04967 192 5PX -0.03711 0.08169 0.00327 -0.01045 -0.00270 193 5PY -0.04197 0.00314 -0.00767 -0.00267 0.00137 194 5PZ -0.01942 -0.00840 -0.00836 -0.00629 0.03234 21 22 23 24 25 21 8D+2 0.15199 22 8D-2 0.00068 0.15149 23 2 Cu 1S 0.00017 -0.00082 2.01007 24 2S 0.00816 -0.00273 0.01728 0.38394 25 3S 0.02641 0.00213 0.00410 0.18942 0.35044 26 4PX -0.00041 0.00043 0.00552 0.03291 -0.07841 27 4PY 0.00311 -0.00281 -0.00386 -0.02608 0.03549 28 4PZ -0.00384 -0.00082 -0.00259 -0.01436 0.04401 29 5PX -0.00984 -0.00521 -0.00091 -0.02157 -0.07080 30 5PY -0.00751 0.01042 -0.00127 0.01577 0.03951 31 5PZ 0.01953 0.00664 0.00121 0.01027 0.03742 32 6PX -0.00148 0.00121 0.00114 -0.00589 -0.02299 33 6PY 0.00935 -0.00284 0.00331 -0.03763 -0.00780 34 6PZ -0.00826 -0.00256 -0.00214 0.01943 0.02033 35 7D 0 -0.00696 0.00046 0.00086 0.02136 0.12790 36 7D+1 0.00338 0.00003 0.00080 0.03155 0.20948 37 7D-1 0.00494 -0.00495 -0.00231 -0.00158 0.04859 38 7D+2 -0.00163 -0.00094 -0.00152 0.00016 0.03567 39 7D-2 -0.00698 0.00189 0.00272 0.03391 0.15391 40 8D 0 -0.00095 0.00085 0.00068 0.00399 0.04199 41 8D+1 0.00121 -0.00068 0.00027 0.00585 0.06608 42 8D-1 0.00086 0.00008 -0.00090 -0.00154 0.01502 43 8D+2 -0.00111 -0.00005 -0.00023 -0.00096 0.01270 44 8D-2 -0.00222 -0.00068 0.00156 0.00707 0.05088 45 3 Cu 1S 0.00069 0.00068 -0.00116 -0.00066 0.00450 46 2S -0.01370 0.00789 -0.00343 0.22567 0.14158 47 3S -0.01492 0.03168 -0.00533 -0.06330 -0.11506 48 4PX -0.00224 -0.00283 -0.00282 -0.02751 -0.00349 49 4PY -0.00288 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0.01842 -0.03759 0.00281 -0.01229 -0.00249 70 4PX 0.00352 0.00229 0.00219 -0.01176 0.01764 71 4PY 0.00110 -0.00270 -0.00068 0.00917 -0.00275 72 4PZ -0.00016 0.00257 -0.00065 0.00700 -0.00628 73 5PX 0.00268 -0.01865 0.00176 0.03999 0.03154 74 5PY -0.00040 0.01329 -0.00193 -0.03022 -0.02375 75 5PZ 0.00457 -0.01183 0.00026 -0.01909 0.00014 76 6PX 0.01405 0.00743 0.00002 0.03892 0.02044 77 6PY 0.02536 0.00046 -0.00888 0.03320 -0.03748 78 6PZ 0.00152 0.00519 0.00027 0.00233 -0.00924 79 7D 0 0.00153 0.00218 0.00032 0.01800 0.09014 80 7D+1 0.00465 0.00435 0.00258 0.00972 0.05672 81 7D-1 0.00211 -0.00033 -0.00193 0.00627 -0.08035 82 7D+2 0.01252 0.00356 -0.00314 -0.05347 -0.00511 83 7D-2 -0.00010 -0.00417 0.00342 0.01683 0.06404 84 8D 0 0.00073 0.00045 -0.00004 0.00698 0.02976 85 8D+1 0.00133 0.00048 0.00087 0.00177 0.01868 86 8D-1 -0.00050 0.00045 -0.00080 0.00210 -0.02758 87 8D+2 0.00252 0.00086 -0.00062 -0.01785 -0.00137 88 8D-2 -0.00079 -0.00170 0.00103 0.00545 0.02150 89 5 Cu 1S 0.00026 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0.00022 0.00015 -0.00045 -0.00150 0.00914 110 8D-2 -0.00016 -0.00091 0.00001 -0.00136 0.03910 111 6 Cu 1S 0.00138 0.00071 0.00035 -0.00105 -0.00454 112 2S 0.02327 0.01208 -0.00024 -0.09565 0.01264 113 3S 0.00341 0.00190 0.00487 0.02388 0.01874 114 4PX -0.00022 0.00026 -0.00055 -0.01029 -0.01418 115 4PY -0.00090 -0.00035 0.00170 0.00418 0.02415 116 4PZ -0.00054 -0.00015 -0.00029 0.00588 -0.00055 117 5PX -0.00005 -0.00056 0.00099 0.04123 0.02338 118 5PY 0.00203 0.00090 -0.00236 -0.02570 -0.02103 119 5PZ 0.00009 -0.00003 0.00019 -0.02023 -0.00827 120 6PX 0.00415 -0.00293 -0.00460 0.01297 -0.03695 121 6PY 0.00394 0.00056 -0.00094 -0.02249 -0.01614 122 6PZ 0.00734 0.00257 0.00363 -0.00270 0.03156 123 7D 0 -0.00390 -0.00147 -0.00160 0.02112 -0.07035 124 7D+1 0.00107 -0.00140 -0.00048 0.00583 -0.09773 125 7D-1 -0.00181 -0.00161 0.00097 -0.01566 0.08577 126 7D+2 -0.00579 -0.00494 -0.00037 0.00385 0.06964 127 7D-2 -0.00402 0.00124 -0.00293 0.04234 -0.16290 128 8D 0 -0.00181 -0.00065 -0.00061 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0.01711 -0.03042 0.01290 60 7D+2 -0.02436 -0.00137 0.00274 0.07425 0.01346 61 7D-2 -0.01214 0.03209 0.00334 0.02721 -0.08411 62 8D 0 -0.00032 0.00030 0.00171 0.00858 -0.01422 63 8D+1 0.00035 0.00103 -0.00378 -0.00354 -0.00502 64 8D-1 0.00047 -0.00130 0.00538 -0.01023 0.00446 65 8D+2 -0.00554 -0.00422 0.00105 0.02458 0.00434 66 8D-2 0.00085 0.00226 0.00055 0.00984 -0.02862 67 4 Cu 1S -0.00329 0.00081 0.00125 0.00059 -0.00055 68 2S 0.00034 0.00019 0.00448 -0.01882 0.00218 69 3S -0.01375 0.00713 0.00716 0.00568 -0.01144 70 4PX -0.00097 0.00138 0.00049 -0.00586 0.00133 71 4PY 0.00126 0.00011 0.00016 -0.00074 -0.00314 72 4PZ 0.00025 -0.00008 0.00009 0.00189 -0.00287 73 5PX -0.00525 -0.00106 0.00163 0.00281 0.00309 74 5PY -0.00152 0.00267 -0.00151 0.01101 0.00430 75 5PZ 0.00013 -0.00113 0.00154 0.00026 -0.00061 76 6PX -0.00451 0.00437 0.02568 -0.00002 0.00008 77 6PY 0.02802 -0.02258 0.04689 0.01253 -0.00065 78 6PZ -0.00471 -0.00287 0.00399 0.00159 -0.00024 79 7D 0 -0.00096 -0.00039 0.00171 -0.00545 -0.00572 80 7D+1 -0.00197 0.00132 -0.00074 0.00072 -0.00434 81 7D-1 0.00080 0.00120 -0.00120 0.01249 -0.01471 82 7D+2 0.00410 -0.00001 -0.00052 -0.01184 0.01046 83 7D-2 -0.00291 0.00098 0.00028 -0.00413 0.00966 84 8D 0 -0.00023 -0.00018 0.00032 -0.00170 -0.00223 85 8D+1 -0.00067 -0.00011 0.00050 0.00032 -0.00131 86 8D-1 0.00061 0.00069 -0.00060 0.00422 -0.00502 87 8D+2 0.00091 0.00064 0.00003 -0.00388 0.00345 88 8D-2 -0.00084 0.00074 -0.00028 -0.00100 0.00354 89 5 Cu 1S -0.00143 0.00016 0.00258 -0.00009 -0.00014 90 2S -0.00402 -0.00211 -0.00305 -0.01092 -0.00061 91 3S -0.01319 -0.01280 0.01945 -0.00332 -0.00096 92 4PX -0.00002 0.00026 0.00023 -0.00279 -0.00073 93 4PY 0.00004 0.00047 0.00019 0.00318 -0.00062 94 4PZ 0.00038 -0.00034 -0.00060 0.00505 0.00217 95 5PX -0.00018 0.00042 -0.00076 0.00245 0.00038 96 5PY 0.00154 -0.00076 -0.00320 0.00235 0.00153 97 5PZ 0.00271 0.00225 -0.00720 0.00383 0.00188 98 6PX 0.00703 -0.00064 0.01070 -0.00165 0.00183 99 6PY -0.01932 -0.01657 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4PZ -0.00460 -0.00090 -0.00895 -0.00062 0.00282 95 5PX 0.00076 0.00079 -0.00431 0.00157 -0.01077 96 5PY -0.00176 0.00028 -0.00052 0.00125 0.01391 97 5PZ -0.00215 -0.00031 -0.00321 -0.00436 0.03227 98 6PX 0.00313 0.00655 -0.01017 0.01269 -0.03555 99 6PY -0.00153 -0.00687 -0.01350 -0.00869 0.02742 100 6PZ -0.00175 -0.00132 0.00307 -0.00148 0.00622 101 7D 0 -0.00340 -0.00035 0.03162 0.00947 -0.00707 102 7D+1 0.03003 0.02377 -0.00284 0.00998 0.00611 103 7D-1 -0.00519 0.03426 0.03544 -0.02559 -0.00536 104 7D+2 0.00348 -0.01983 -0.03684 -0.00916 -0.00328 105 7D-2 0.02604 -0.01089 -0.08459 0.07267 0.00207 106 8D 0 -0.00081 -0.00005 0.01086 0.00368 -0.00565 107 8D+1 0.01004 0.00806 -0.00022 0.00305 0.00505 108 8D-1 -0.00192 0.01149 0.01181 -0.00875 -0.00473 109 8D+2 0.00100 -0.00687 -0.01279 -0.00321 -0.00045 110 8D-2 0.00848 -0.00367 -0.02845 0.02401 0.00181 111 6 Cu 1S -0.00006 0.00007 -0.00074 0.00028 -0.00136 112 2S -0.00169 -0.01201 0.00196 0.00812 0.01119 113 3S 0.00412 -0.00403 -0.00722 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8D+2 -0.00049 0.00117 0.00453 -0.00325 0.00647 154 8D-2 0.00404 -0.01361 -0.01584 0.00973 0.00269 155 8 Cu 1S -0.00004 0.00085 0.00123 0.00132 -0.00120 156 2S 0.01500 0.00136 0.03344 0.01721 -0.00927 157 3S 0.00043 0.00782 0.02889 0.01972 -0.04222 158 4PX 0.00115 -0.00795 -0.00877 0.00830 0.00060 159 4PY 0.00025 0.00261 -0.00291 -0.00155 -0.00006 160 4PZ -0.00488 -0.00457 -0.01155 -0.00119 0.00288 161 5PX 0.00283 -0.00212 -0.01118 0.01222 -0.01293 162 5PY -0.00752 0.00223 -0.00775 0.00107 0.01560 163 5PZ 0.00916 0.00336 0.00373 -0.00899 -0.00412 164 6PX 0.00465 0.00633 0.01025 -0.00110 0.00258 165 6PY -0.00715 -0.01651 -0.02331 0.00918 0.00145 166 6PZ 0.00568 0.01902 0.02847 0.00384 -0.04484 167 7D 0 -0.00094 -0.00463 -0.00468 0.00515 0.00548 168 7D+1 -0.00063 -0.00209 0.03796 -0.03997 -0.00477 169 7D-1 0.00501 0.00971 0.02584 -0.00352 -0.00005 170 7D+2 0.00077 0.00515 -0.02536 0.00299 0.00200 171 7D-2 0.00764 0.00076 0.04071 -0.03208 0.00576 172 8D 0 -0.00065 -0.00138 -0.00058 0.00172 0.00187 173 8D+1 -0.00031 -0.00068 0.01274 -0.01309 -0.00031 174 8D-1 0.00189 0.00314 0.00865 -0.00106 0.00023 175 8D+2 0.00025 0.00173 -0.00916 0.00076 0.00175 176 8D-2 0.00230 0.00038 0.01348 -0.01102 0.00340 177 9 C 1S -0.00682 0.00437 -0.00310 -0.00194 0.00348 178 2S 0.01068 -0.00824 -0.00340 0.00751 -0.00450 179 3S 0.01706 -0.00241 0.01312 -0.00337 -0.03533 180 4PX 0.00195 -0.00456 -0.02060 0.01045 0.00858 181 4PY 0.01198 0.00341 0.04378 -0.02110 -0.00610 182 4PZ -0.00099 0.00081 -0.00278 -0.00102 -0.00276 183 5PX 0.00127 -0.00124 -0.00513 0.00551 -0.01235 184 5PY 0.00041 0.00234 0.00262 -0.00129 -0.00770 185 5PZ 0.00168 0.00260 0.00453 -0.00026 -0.00339 186 10 O 1S 0.00312 -0.00193 -0.01056 0.00571 -0.00114 187 2S -0.00716 0.00417 0.01811 -0.01042 0.00228 188 3S -0.00835 0.00847 0.03455 -0.02034 0.00943 189 4PX 0.00783 -0.00572 0.01703 -0.01911 -0.01143 190 4PY -0.00277 -0.01537 -0.05858 0.02620 0.00187 191 4PZ -0.00932 -0.00606 0.00173 -0.01833 -0.00366 192 5PX 0.00303 -0.00242 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8D+2 0.00078 -0.00005 -0.00342 -0.00531 0.00310 154 8D-2 0.00172 -0.00003 -0.00272 0.00293 0.00154 155 8 Cu 1S 0.00286 -0.00367 -0.00151 0.00209 -0.00037 156 2S 0.00463 -0.00703 -0.00020 0.02037 -0.00091 157 3S 0.09118 -0.13833 -0.03096 0.05474 -0.01301 158 4PX 0.00136 -0.00243 0.00053 0.00025 -0.00006 159 4PY -0.00021 -0.00087 -0.00038 -0.00210 -0.00038 160 4PZ -0.00425 0.00450 0.00129 -0.00106 0.00138 161 5PX 0.00830 -0.01935 -0.00961 0.00511 -0.00448 162 5PY -0.01998 0.01606 0.01126 -0.00842 0.00535 163 5PZ 0.00304 0.02019 0.01173 -0.00372 -0.00155 164 6PX -0.00624 0.03286 -0.02257 -0.00644 0.00127 165 6PY 0.02754 -0.11661 0.08744 0.01922 -0.00018 166 6PZ 0.00850 0.19186 -0.05170 0.04128 -0.01388 167 7D 0 -0.00031 0.00004 -0.00480 0.00234 0.00221 168 7D+1 -0.00592 0.01110 -0.00719 -0.00590 -0.00074 169 7D-1 0.01227 -0.00602 -0.00828 0.00960 -0.00023 170 7D+2 -0.00112 -0.00292 0.00604 -0.00090 0.00109 171 7D-2 -0.00626 0.00122 0.00579 -0.00081 0.00285 172 8D 0 -0.00135 -0.00004 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5PX 0.00586 0.02369 0.00377 -0.00993 -0.00102 193 5PY -0.00385 -0.00036 -0.00144 0.00714 0.00019 194 5PZ -0.00848 -0.00475 -0.01041 0.01417 -0.00105 41 42 43 44 45 41 8D+1 0.16577 42 8D-1 -0.00088 0.16791 43 8D+2 0.00055 -0.00002 0.16708 44 8D-2 0.00026 -0.00035 -0.00068 0.16860 45 3 Cu 1S -0.00003 -0.00010 -0.00197 -0.00274 2.00851 46 2S 0.00215 0.00210 -0.01609 -0.02574 0.01287 47 3S -0.01424 0.04079 -0.00528 -0.09894 0.01846 48 4PX -0.00082 -0.00072 0.00844 0.00000 0.00158 49 4PY -0.00078 0.00058 0.00219 -0.00557 0.00330 50 4PZ 0.00481 -0.00698 -0.00141 -0.00172 -0.00251 51 5PX -0.00761 -0.00358 -0.05136 -0.01034 -0.00523 52 5PY 0.00049 0.00154 0.01039 0.04789 0.00045 53 5PZ -0.01380 0.03919 0.00568 0.00977 0.00370 54 6PX -0.00523 -0.02445 -0.02807 0.03556 -0.00536 55 6PY -0.00335 0.03820 0.02035 -0.02627 0.00197 56 6PZ -0.00211 0.02443 0.00260 0.00300 0.00328 57 7D 0 -0.00115 0.00297 -0.00292 -0.00614 -0.00029 58 7D+1 0.00035 -0.00220 -0.00027 -0.00116 -0.00110 59 7D-1 -0.00795 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-0.00277 0.00244 0.00364 -0.00035 -0.00162 80 7D+1 0.00337 -0.00388 0.00016 -0.00114 -0.00267 81 7D-1 0.00091 0.00048 -0.00021 -0.00179 -0.00082 82 7D+2 0.00259 -0.00172 -0.00418 0.00598 -0.00034 83 7D-2 -0.00203 0.00184 0.00536 -0.00103 0.00079 84 8D 0 -0.00108 0.00128 0.00179 0.00008 -0.00055 85 8D+1 0.00153 -0.00173 0.00043 -0.00019 -0.00100 86 8D-1 0.00050 0.00022 0.00016 -0.00073 -0.00031 87 8D+2 0.00126 -0.00113 -0.00222 0.00249 0.00021 88 8D-2 -0.00122 0.00058 0.00245 -0.00072 0.00028 89 5 Cu 1S 0.00001 -0.00049 0.00033 0.00005 0.00129 90 2S 0.00835 -0.00688 -0.00187 0.00371 -0.00095 91 3S 0.01350 0.00948 0.03729 0.02972 -0.00508 92 4PX 0.00033 -0.00036 -0.00004 -0.00005 0.00005 93 4PY 0.00059 0.00050 -0.00088 -0.00095 0.00053 94 4PZ 0.00039 0.00095 -0.00027 -0.00038 -0.00353 95 5PX 0.00195 0.00196 -0.00183 -0.00002 0.00080 96 5PY -0.00185 -0.00324 -0.00083 0.00182 -0.00001 97 5PZ -0.00012 -0.00484 -0.00901 -0.00643 0.00093 98 6PX -0.00769 0.00462 0.00014 0.00893 0.00164 99 6PY 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0.00430 0.00110 119 5PZ 0.00071 0.00261 0.00267 0.00141 0.00076 120 6PX -0.00325 -0.00178 -0.00704 0.01295 -0.00091 121 6PY 0.00352 0.00208 -0.00708 0.00187 0.00135 122 6PZ -0.00724 0.01205 -0.00667 -0.00945 0.00015 123 7D 0 -0.00133 0.00145 -0.00003 -0.00018 -0.00124 124 7D+1 0.00159 -0.00189 0.00011 0.00025 -0.00203 125 7D-1 -0.00223 0.00217 -0.00039 0.00082 0.00254 126 7D+2 -0.00138 -0.00074 0.00350 -0.00248 0.00210 127 7D-2 -0.00030 0.00114 0.00038 0.00031 -0.00360 128 8D 0 -0.00050 0.00087 0.00034 0.00013 -0.00075 129 8D+1 0.00051 -0.00068 0.00046 0.00025 -0.00078 130 8D-1 -0.00100 0.00078 -0.00053 0.00015 0.00100 131 8D+2 -0.00043 -0.00037 0.00129 -0.00125 0.00056 132 8D-2 -0.00016 0.00087 0.00065 0.00010 -0.00179 133 7 Cu 1S -0.00063 -0.00001 -0.00091 -0.00063 0.00129 134 2S 0.00270 -0.00070 -0.01130 0.00171 -0.00099 135 3S -0.01089 0.00899 -0.01278 -0.02922 -0.00549 136 4PX -0.00115 -0.00039 -0.00086 0.00024 0.00290 137 4PY 0.00039 0.00006 -0.00012 -0.00009 0.00213 138 4PZ 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2S 0.00360 -0.00093 0.00618 -0.00327 0.00009 188 3S 0.01845 0.00603 0.03135 0.00788 -0.00084 189 4PX 0.01660 -0.00976 0.01586 -0.01126 0.00058 190 4PY 0.01387 -0.00190 0.02168 -0.01020 -0.00021 191 4PZ -0.00037 0.00652 0.00698 -0.00996 -0.00186 192 5PX 0.01363 -0.01373 0.00854 -0.01448 -0.00084 193 5PY 0.00822 -0.00306 0.00896 -0.01093 -0.00069 194 5PZ 0.00248 0.00794 0.00299 -0.01218 -0.00208 151 152 153 154 155 151 8D+1 0.16571 152 8D-1 -0.00030 0.16805 153 8D+2 -0.00024 -0.00024 0.16706 154 8D-2 -0.00040 -0.00008 -0.00104 0.16842 155 8 Cu 1S -0.00048 -0.00111 -0.00015 -0.00125 2.00852 156 2S -0.00281 -0.00134 0.00685 -0.00656 0.01288 157 3S -0.01269 -0.04806 0.00602 -0.03662 0.01854 158 4PX 0.00064 0.00110 0.00073 0.00037 -0.00045 159 4PY 0.00027 -0.00005 -0.00098 0.00040 0.00386 160 4PZ 0.00099 0.00096 0.00043 0.00057 0.00219 161 5PX -0.00242 0.00444 0.00052 0.00340 -0.00080 162 5PY 0.00441 0.00860 0.00220 0.00869 -0.00078 163 5PZ -0.00453 0.00320 -0.00062 0.00425 -0.00632 164 6PX 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0.03665 166 6PZ 0.08967 -0.01892 -0.00309 0.02039 -0.03088 167 7D 0 -0.02037 -0.18644 -0.00202 0.00388 -0.00370 168 7D+1 -0.01830 -0.13136 0.00163 0.00179 -0.00211 169 7D-1 0.03413 0.20573 0.00203 -0.00245 0.00354 170 7D+2 0.03267 0.22973 0.00109 0.00247 -0.00051 171 7D-2 0.02005 0.13306 -0.00267 -0.00012 0.00093 172 8D 0 -0.00102 -0.06114 -0.00080 0.00170 -0.00157 173 8D+1 -0.00369 -0.04393 0.00037 0.00096 -0.00097 174 8D-1 0.01055 0.07244 0.00126 -0.00286 0.00105 175 8D+2 0.00682 0.07440 0.00082 0.00199 0.00098 176 8D-2 0.00475 0.04399 -0.00200 -0.00016 0.00099 177 9 C 1S 0.01115 -0.02439 -0.00079 0.00357 -0.00032 178 2S -0.02295 0.05541 0.00178 -0.00761 0.00145 179 3S -0.03069 0.06435 0.00349 -0.01697 -0.00049 180 4PX 0.01145 -0.02336 -0.00474 0.00125 -0.00016 181 4PY -0.01743 0.06851 0.00043 -0.00693 -0.00049 182 4PZ 0.05120 -0.05504 -0.00129 0.00499 -0.00633 183 5PX 0.00527 -0.00146 0.00032 -0.00009 -0.00066 184 5PY -0.00861 -0.00685 0.00038 -0.00259 -0.00168 185 5PZ 0.02266 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192 5PX -0.00727 -0.00097 -0.00114 -0.00379 0.00177 193 5PY -0.00115 -0.00367 -0.00274 -0.00212 0.00878 194 5PZ -0.00149 -0.00098 -0.01910 -0.01066 0.02952 166 167 168 169 170 166 6PZ 0.19177 167 7D 0 0.05022 1.49282 168 7D+1 -0.01844 0.00076 1.49267 169 7D-1 0.08242 0.00646 0.00387 1.48239 170 7D+2 0.02137 -0.01091 -0.00583 -0.00767 1.50167 171 7D-2 0.00600 -0.00609 0.00743 -0.00664 -0.00552 172 8D 0 0.02036 0.49155 0.00075 0.00282 -0.00188 173 8D+1 -0.00509 0.00122 0.48830 -0.00043 -0.00073 174 8D-1 0.02779 0.00133 -0.00113 0.49259 0.00213 175 8D+2 0.00695 -0.00264 -0.00132 0.00150 0.48844 176 8D-2 0.00198 -0.00118 0.00007 0.00085 -0.00130 177 9 C 1S 0.01020 -0.00340 0.00057 -0.00430 -0.00304 178 2S -0.01230 0.00698 -0.00100 0.00300 0.01276 179 3S -0.02949 0.00255 -0.00909 0.07078 -0.03429 180 4PX 0.01433 -0.00563 0.01091 0.00317 -0.00183 181 4PY -0.04302 0.00551 0.00015 0.01044 0.01004 182 4PZ 0.04388 -0.00852 -0.00700 0.01936 -0.00764 183 5PX 0.00238 -0.00066 -0.00194 -0.00613 0.00407 184 5PY 0.00096 0.01040 0.00172 0.02282 -0.02638 185 5PZ 0.02194 0.00635 -0.00163 0.00249 0.01887 186 10 O 1S 0.00672 0.00076 -0.00019 0.00122 0.00070 187 2S -0.00980 -0.00279 0.00017 -0.00325 -0.00116 188 3S -0.02411 0.00101 0.00315 -0.00890 -0.00544 189 4PX -0.01664 0.00519 -0.01159 -0.00285 -0.00034 190 4PY 0.03886 -0.00272 -0.00039 -0.01129 -0.00432 191 4PZ -0.06227 0.00828 0.00646 -0.01575 0.00658 192 5PX -0.00513 0.00144 -0.00533 -0.00027 -0.00003 193 5PY 0.00399 0.00056 0.00048 -0.00853 0.00199 194 5PZ -0.03296 0.00051 0.00325 -0.00904 -0.00184 171 172 173 174 175 171 7D-2 1.51158 172 8D 0 -0.00025 0.16230 173 8D+1 -0.00090 0.00065 0.15994 174 8D-1 0.00088 0.00069 -0.00093 0.16391 175 8D+2 -0.00156 -0.00042 -0.00005 0.00207 0.15912 176 8D-2 0.49192 0.00017 -0.00118 0.00126 -0.00040 177 9 C 1S -0.00206 -0.00082 0.00042 -0.00134 -0.00201 178 2S 0.00609 0.00124 -0.00091 0.00128 0.00564 179 3S -0.00316 -0.00037 -0.00361 0.02396 -0.01033 180 4PX 0.00000 -0.00158 0.00363 0.00077 -0.00069 181 4PY 0.00619 0.00143 -0.00023 0.00442 0.00300 182 4PZ -0.00027 -0.00166 -0.00194 0.00628 -0.00270 183 5PX 0.01120 -0.00006 -0.00090 -0.00216 0.00105 184 5PY -0.00548 0.00356 0.00047 0.00755 -0.00845 185 5PZ 0.00712 0.00278 -0.00028 0.00078 0.00612 186 10 O 1S 0.00051 0.00041 -0.00005 0.00043 0.00037 187 2S -0.00105 -0.00113 0.00005 -0.00115 -0.00061 188 3S -0.00382 0.00023 0.00109 -0.00281 -0.00241 189 4PX 0.00099 0.00157 -0.00424 -0.00071 -0.00014 190 4PY -0.00341 -0.00090 -0.00032 -0.00441 0.00011 191 4PZ 0.00011 0.00111 0.00172 -0.00495 0.00208 192 5PX -0.00364 0.00033 -0.00186 0.00001 0.00015 193 5PY -0.00126 0.00022 0.00012 -0.00288 0.00100 194 5PZ -0.00176 -0.00086 0.00078 -0.00291 -0.00057 176 177 178 179 180 176 8D-2 0.16043 177 9 C 1S -0.00110 2.09428 178 2S 0.00266 -0.19841 0.51302 179 3S -0.00052 -0.20380 0.39503 0.42653 180 4PX 0.00023 0.01202 -0.01813 -0.06725 0.37191 181 4PY 0.00212 -0.04940 0.07452 0.27673 -0.07333 182 4PZ -0.00023 0.01138 -0.01730 -0.06328 0.01690 183 5PX 0.00402 0.01159 -0.02164 -0.01745 0.06510 184 5PY -0.00160 -0.04751 0.08885 0.07195 0.01507 185 5PZ 0.00223 0.01095 -0.02048 -0.01642 -0.00346 186 10 O 1S 0.00024 0.01177 -0.01280 0.05331 -0.01668 187 2S -0.00046 -0.01845 0.01292 -0.12136 0.04138 188 3S -0.00152 0.01746 -0.08820 -0.12752 -0.00628 189 4PX -0.00055 0.02522 -0.06402 -0.00523 0.40321 190 4PY -0.00075 -0.10358 0.26311 0.02061 0.22917 191 4PZ 0.00018 0.02377 -0.06041 -0.00434 -0.05272 192 5PX -0.00171 0.00378 -0.00943 -0.00180 0.15322 193 5PY -0.00040 -0.01557 0.03883 0.00692 0.05541 194 5PZ -0.00046 0.00357 -0.00890 -0.00150 -0.01275 181 182 183 184 185 181 4PY 0.65533 182 4PZ -0.06933 0.37002 183 5PX 0.01499 -0.00344 0.02062 184 5PY 0.00723 0.01425 -0.00145 0.02638 185 5PZ 0.01412 0.06543 0.00033 -0.00136 0.02061 186 10 O 1S 0.06849 -0.01573 0.00127 -0.00525 0.00115 187 2S -0.16997 0.03905 0.00030 -0.00119 0.00040 188 3S 0.02591 -0.00598 0.00488 -0.01998 0.00470 189 4PX 0.22918 -0.05271 0.06219 -0.00140 0.00032 190 4PY -0.48251 0.21637 -0.00139 0.06746 -0.00139 191 4PZ 0.21639 0.40910 0.00029 -0.00130 0.06207 192 5PX 0.05542 -0.01275 0.01738 0.00156 -0.00036 193 5PY -0.06093 0.05228 0.00158 0.01123 0.00145 194 5PZ 0.05231 0.15466 -0.00037 0.00148 0.01739 186 187 188 189 190 186 10 O 1S 2.11844 187 2S -0.25809 0.60124 188 3S -0.25057 0.52596 0.54779 189 4PX -0.00895 0.01539 0.07379 0.84432 190 4PY 0.03677 -0.06327 -0.30301 -0.00140 0.84976 191 4PZ -0.00845 0.01455 0.06958 0.00036 -0.00131 192 5PX -0.00751 0.01813 0.02608 0.32878 0.03952 193 5PY 0.03084 -0.07448 -0.10709 0.03956 0.17603 194 5PZ -0.00708 0.01709 0.02457 -0.00907 0.03736 191 192 193 194 191 4PZ 0.84448 192 5PX -0.00904 0.13359 193 5PY 0.03727 0.02218 0.04797 194 5PZ 0.32996 -0.00508 0.02092 0.13426 Full Mulliken population analysis: 1 2 3 4 5 1 1 Cu 1S 1.99541 2 2S 0.00009 0.25534 3 3S 0.00909 -0.11434 0.68149 4 4PX 0.00000 0.00000 0.00000 2.00067 5 4PY 0.00000 0.00000 0.00000 0.00000 2.00947 6 4PZ 0.00000 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0.60124 188 3S -0.04591 0.41586 0.54779 189 4PX 0.00000 0.00000 0.00000 0.84432 190 4PY 0.00000 0.00000 0.00000 0.00000 0.84976 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.16636 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.08907 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 191 4PZ 0.84448 192 5PX 0.00000 0.13359 193 5PY 0.00000 0.00000 0.04797 194 5PZ 0.16696 0.00000 0.00000 0.13426 Gross orbital populations: 1 1 1 Cu 1S 1.99753 2 2S 0.58745 3 3S -0.60357 4 4PX 1.99532 5 4PY 1.99581 6 4PZ 1.99531 7 5PX 0.36802 8 5PY 0.36631 9 5PZ 0.37191 10 6PX -0.25257 11 6PY 0.09144 12 6PZ -0.26345 13 7D 0 1.65603 14 7D+1 1.66398 15 7D-1 1.60818 16 7D+2 1.62995 17 7D-2 1.61284 18 8D 0 0.30414 19 8D+1 0.30432 20 8D-1 0.31061 21 8D+2 0.30197 22 8D-2 0.31100 23 2 Cu 1S 2.00489 24 2S 0.71133 25 3S 0.36855 26 4PX 1.99433 27 4PY 1.99430 28 4PZ 1.99464 29 5PX 0.05319 30 5PY 0.03537 31 5PZ 0.04185 32 6PX 0.02861 33 6PY -0.03377 34 6PZ 0.00303 35 7D 0 1.65601 36 7D+1 1.64802 37 7D-1 1.65887 38 7D+2 1.64242 39 7D-2 1.64564 40 8D 0 0.32413 41 8D+1 0.32497 42 8D-1 0.32479 43 8D+2 0.32753 44 8D-2 0.32757 45 3 Cu 1S 2.00405 46 2S 0.63700 47 3S -0.05167 48 4PX 1.99474 49 4PY 1.99482 50 4PZ 1.99463 51 5PX 0.19965 52 5PY 0.23552 53 5PZ 0.10452 54 6PX 0.12847 55 6PY 0.04324 56 6PZ 0.04703 57 7D 0 1.64972 58 7D+1 1.65547 59 7D-1 1.64805 60 7D+2 1.63550 61 7D-2 1.63947 62 8D 0 0.31803 63 8D+1 0.31957 64 8D-1 0.31836 65 8D+2 0.32215 66 8D-2 0.32252 67 4 Cu 1S 2.00406 68 2S 0.63659 69 3S -0.05087 70 4PX 1.99445 71 4PY 1.99498 72 4PZ 1.99475 73 5PX 0.12689 74 5PY 0.31827 75 5PZ 0.09360 76 6PX 0.08935 77 6PY 0.10560 78 6PZ 0.02125 79 7D 0 1.65643 80 7D+1 1.65665 81 7D-1 1.64678 82 7D+2 1.63284 83 7D-2 1.63564 84 8D 0 0.31787 85 8D+1 0.31637 86 8D-1 0.32073 87 8D+2 0.32401 88 8D-2 0.32163 89 5 Cu 1S 2.00489 90 2S 0.71112 91 3S 0.36801 92 4PX 1.99496 93 4PY 1.99429 94 4PZ 1.99402 95 5PX 0.03094 96 5PY 0.03564 97 5PZ 0.06387 98 6PX 0.02618 99 6PY -0.05157 100 6PZ 0.02300 101 7D 0 1.63654 102 7D+1 1.65719 103 7D-1 1.64010 104 7D+2 1.65861 105 7D-2 1.65853 106 8D 0 0.32774 107 8D+1 0.32405 108 8D-1 0.32793 109 8D+2 0.32431 110 8D-2 0.32494 111 6 Cu 1S 2.00544 112 2S 0.75288 113 3S 0.12332 114 4PX 1.99476 115 4PY 1.99446 116 4PZ 1.99476 117 5PX 0.04533 118 5PY 0.05468 119 5PZ 0.04528 120 6PX 0.01750 121 6PY 0.04359 122 6PZ 0.01900 123 7D 0 1.65022 124 7D+1 1.66243 125 7D-1 1.64097 126 7D+2 1.64928 127 7D-2 1.63095 128 8D 0 0.32229 129 8D+1 0.32196 130 8D-1 0.32474 131 8D+2 0.32425 132 8D-2 0.32420 133 7 Cu 1S 2.00489 134 2S 0.71135 135 3S 0.36957 136 4PX 1.99427 137 4PY 1.99414 138 4PZ 1.99487 139 5PX 0.05495 140 5PY 0.04147 141 5PZ 0.03422 142 6PX -0.01221 143 6PY -0.00389 144 6PZ 0.01444 145 7D 0 1.65894 146 7D+1 1.65833 147 7D-1 1.65508 148 7D+2 1.63109 149 7D-2 1.64751 150 8D 0 0.32366 151 8D+1 0.32281 152 8D-1 0.32612 153 8D+2 0.32907 154 8D-2 0.32730 155 8 Cu 1S 2.00405 156 2S 0.63699 157 3S -0.05173 158 4PX 1.99485 159 4PY 1.99469 160 4PZ 1.99464 161 5PX 0.10591 162 5PY 0.20210 163 5PZ 0.23207 164 6PX 0.01920 165 6PY 0.01950 166 6PZ 0.17833 167 7D 0 1.64234 168 7D+1 1.64204 169 7D-1 1.63291 170 7D+2 1.65055 171 7D-2 1.66038 172 8D 0 0.32245 173 8D+1 0.31972 174 8D-1 0.32291 175 8D+2 0.31808 176 8D-2 0.31752 177 9 C 1S 1.99858 178 2S 0.88808 179 3S 0.64254 180 4PX 0.57779 181 4PY 0.92151 182 4PZ 0.57556 183 5PX 0.11056 184 5PY 0.05075 185 5PZ 0.11111 186 10 O 1S 1.99922 187 2S 0.98736 188 3S 0.84621 189 4PX 1.10367 190 4PY 1.16972 191 4PZ 1.10342 192 5PX 0.36741 193 5PY 0.17517 194 5PZ 0.36879 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.829611 -0.235748 -0.327182 -0.325285 -0.238021 0.040133 2 Cu -0.235748 19.015530 0.088743 0.057870 0.032410 0.016192 3 Cu -0.327182 0.088743 19.370631 -0.060067 0.056220 0.021225 4 Cu -0.325285 0.057870 -0.060067 19.365878 0.055155 0.021824 5 Cu -0.238021 0.032410 0.056220 0.055155 19.017862 0.015819 6 Cu 0.040133 0.016192 0.021225 0.021824 0.015819 18.795506 7 Cu -0.235204 0.034730 0.056524 0.087874 0.033363 0.016334 8 Cu -0.328316 0.054426 -0.059261 -0.059288 0.089464 0.019109 9 C 0.103999 0.027242 0.016537 0.016449 0.028126 -0.003942 10 O 0.068545 -0.015118 -0.002547 -0.002555 -0.015109 0.000087 7 8 9 10 1 Cu -0.235204 -0.328316 0.103999 0.068545 2 Cu 0.034730 0.054426 0.027242 -0.015118 3 Cu 0.056524 -0.059261 0.016537 -0.002547 4 Cu 0.087874 -0.059288 0.016449 -0.002555 5 Cu 0.033363 0.089464 0.028126 -0.015109 6 Cu 0.016334 0.019109 -0.003942 0.000087 7 Cu 19.015904 0.056470 0.027191 -0.015221 8 Cu 0.056470 19.372542 0.017058 -0.002676 9 C 0.027191 0.017058 5.103883 0.539934 10 O -0.015221 -0.002676 0.539934 7.565631 Mulliken atomic charges: 1 1 Cu 0.647469 2 Cu -0.076277 3 Cu -0.160822 4 Cu -0.157855 5 Cu -0.075290 6 Cu 0.057714 7 Cu -0.077965 8 Cu -0.159528 9 C 0.123523 10 O -0.120969 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.647469 2 Cu -0.076277 3 Cu -0.160822 4 Cu -0.157855 5 Cu -0.075290 6 Cu 0.057714 7 Cu -0.077965 8 Cu -0.159528 9 C 0.123523 10 O -0.120969 Sum of Mulliken charges= 0.00000 Electronic spatial extent (au): = 4274.4880 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.1595 Y= 0.6401 Z= -0.1522 Tot= 0.6770 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.6860 YY= -113.4917 ZZ= -113.5668 XY= -0.2173 XZ= 0.0292 YZ= 0.0204 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.1045 YY= 0.0899 ZZ= 0.0147 XY= -0.2173 XZ= 0.0292 YZ= 0.0204 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 24.0157 YYY= 332.3592 ZZZ= -24.1270 XYY= -9.8665 XXY= 87.7799 XXZ= -21.5999 XZZ= 12.3397 YZZ= 92.5604 YYZ= -27.6932 XYZ= 2.6931 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1201.8020 YYYY= -2969.0678 ZZZZ= -1184.0069 XXXY= 109.5404 XXXZ= -35.1592 YYYX= 193.8892 YYYZ= 227.1085 ZZZX= -17.6993 ZZZY= 123.9921 XXYY= -626.8939 XXZZ= -406.3201 YYZZ= -656.9396 XXYZ= 69.8242 YYXZ= -19.2901 ZZXY= 28.4805 N-N= 2.026201587575D+03 E-N=-8.163362192996D+03 KE= 1.132410830617D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.25759 29.12420 2 O -10.34264 15.96926 3 O -4.33863 2.68672 4 O -4.29930 2.68504 5 O -4.29905 2.68861 6 O -4.29895 2.68882 7 O -4.29158 2.68799 8 O -4.27393 2.68748 9 O -4.27376 2.68748 10 O -4.27375 2.68748 11 O -2.84997 5.08100 12 O -2.84231 5.08601 13 O -2.84226 5.08612 14 O -2.80919 5.06267 15 O -2.80784 5.08724 16 O -2.80774 5.08697 17 O -2.80668 5.07916 18 O -2.80627 5.08697 19 O -2.80617 5.08696 20 O -2.80462 5.08780 21 O -2.80451 5.08735 22 O -2.80398 5.09644 23 O -2.80123 5.08928 24 O -2.79737 5.09018 25 O -2.79737 5.09017 26 O -2.78367 5.08558 27 O -2.78351 5.08551 28 O -2.78349 5.08567 29 O -2.78163 5.08733 30 O -2.78146 5.08741 31 O -2.78144 5.08731 32 O -2.77881 5.09074 33 O -2.77865 5.09058 34 O -2.77863 5.09109 35 O -1.17386 2.84795 36 O -0.57789 2.48669 37 O -0.47216 2.01403 38 O -0.47212 2.01432 39 O -0.46624 2.33163 40 O -0.35044 3.24718 41 O -0.32759 8.20528 42 O -0.32756 8.20695 43 O -0.32535 7.08501 44 O -0.32131 8.74340 45 O -0.32126 8.74345 46 O -0.31797 6.95631 47 O -0.30627 8.28338 48 O -0.30607 8.28873 49 O -0.30086 8.47489 50 O -0.29870 8.84034 51 O -0.29868 8.83862 52 O -0.28733 8.67666 53 O -0.28726 8.67180 54 O -0.28428 7.53295 55 O -0.27714 9.14434 56 O -0.27669 8.97857 57 O -0.27656 8.97938 58 O -0.27108 9.21582 59 O -0.27097 9.21475 60 O -0.26925 8.94586 61 O -0.26784 9.34244 62 O -0.26779 9.34292 63 O -0.26668 9.20573 64 O -0.26666 9.20526 65 O -0.26101 9.44550 66 O -0.25591 9.16243 67 O -0.25590 9.16466 68 O -0.25345 9.31521 69 O -0.25241 8.81281 70 O -0.25175 8.89743 71 O -0.25101 9.39226 72 O -0.25094 9.38897 73 O -0.25053 9.47212 74 O -0.25042 9.46766 75 O -0.24888 9.32680 76 O -0.24876 9.35424 77 O -0.24866 8.89553 78 O -0.24563 9.70201 79 O -0.24195 9.58499 80 O -0.24183 9.58819 81 O -0.20052 1.99685 82 O -0.19998 1.98068 83 O -0.19815 2.52384 84 V -0.09017 0.97677 85 V -0.08917 1.60156 86 V -0.08892 1.59833 87 V -0.06385 1.16563 88 V -0.06338 1.16105 89 V -0.04242 1.00865 90 V -0.02217 0.39409 91 V -0.01978 0.88865 92 V -0.01941 0.89459 93 V -0.00872 0.45003 94 V -0.00857 0.44461 95 V 0.01949 0.48037 96 V 0.01964 0.48282 97 V 0.02592 0.37534 98 V 0.02707 0.30882 99 V 0.03348 0.46501 100 V 0.03850 0.37723 101 V 0.03855 0.37772 102 V 0.04170 0.36071 103 V 0.04187 0.35912 104 V 0.04860 0.52888 105 V 0.05465 0.43236 106 V 0.05741 0.43549 107 V 0.05766 0.43789 108 V 0.06813 0.40687 109 V 0.06844 0.40396 110 V 0.07373 0.24580 111 V 0.07380 0.24643 112 V 0.07714 0.31870 113 V 0.08134 0.32644 114 V 0.08266 0.22065 115 V 0.09228 0.52921 116 V 0.09234 0.53240 117 V 0.11232 0.46490 118 V 0.11381 0.99865 119 V 0.11951 0.56008 120 V 0.11958 0.56095 121 V 0.12456 0.59286 122 V 0.12493 0.58871 123 V 0.14508 0.47196 124 V 0.14600 0.47277 125 V 0.17272 0.88855 126 V 0.17291 0.89089 127 V 0.18796 1.43023 128 V 0.21806 1.02667 129 V 0.23868 1.30762 130 V 0.25642 1.56324 131 V 0.25735 1.45473 132 V 0.25835 0.97032 133 V 0.29422 1.13828 134 V 0.29461 1.13521 135 V 0.30284 1.33285 136 V 0.30327 1.39668 137 V 0.30450 1.45665 138 V 0.32190 1.70363 139 V 0.40185 1.49833 140 V 0.40213 1.50134 141 V 0.55001 2.93310 142 V 0.61387 4.51940 143 V 0.63276 4.27487 144 V 0.63371 4.26245 145 V 0.66867 2.57864 146 V 0.69228 4.35263 147 V 0.69362 4.35280 148 V 0.70538 3.85078 149 V 0.71037 3.98548 150 V 0.71154 3.99737 151 V 0.76904 3.45319 152 V 0.76961 3.45534 153 V 0.77082 4.46206 154 V 0.81594 4.68387 155 V 0.81609 4.68479 156 V 0.81756 3.94918 157 V 0.82590 4.39717 158 V 0.83651 4.20702 159 V 0.83936 4.19777 160 V 0.87184 4.21413 161 V 0.87197 4.21957 162 V 0.88261 3.90253 163 V 0.91797 3.99540 164 V 0.95976 4.16943 165 V 0.96007 4.17019 166 V 0.97255 4.27549 167 V 0.97361 4.26923 168 V 1.01136 4.19472 169 V 1.04197 4.37743 170 V 1.06311 4.38769 171 V 1.06625 4.38919 172 V 1.08916 4.49090 173 V 1.09009 4.48969 174 V 1.12217 4.57376 175 V 1.12337 4.56962 176 V 1.13675 4.50789 177 V 1.15275 3.65866 178 V 1.25134 4.58193 179 V 1.25441 4.59003 180 V 1.29930 4.61786 181 V 1.30397 4.63376 182 V 1.30564 4.63428 183 V 1.33886 4.60388 184 V 1.33925 4.60802 185 V 1.34902 4.15835 186 V 1.50905 2.90040 187 V 1.66033 3.92513 188 V 2.03182 2.00276 189 V 2.21981 2.17133 190 V 2.22373 2.17035 191 V 2.75159 1.39238 192 V 2.76346 1.40675 193 V 3.56793 1.76218 194 V 10.43626 2.80499 Total kinetic energy from orbitals= 1.132410830617D+03 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 13:38:37 2008, MaxMem= 1258291200 cpu: 4.5 (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= 2751 LenP2D= 11243. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 701 at Fri Apr 11 13:38:47 2008, MaxMem= 1258291200 cpu: 19.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l702.exe) L702 exits ... SP integral derivatives will be done elsewhere. Leave Link 702 at Fri Apr 11 13:38:47 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 Fri Apr 11 13:39:26 2008, MaxMem= 1258291200 cpu: 100.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole =-6.27504489D-02 2.51842463D-01-5.98816807D-02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000039303 -0.000031041 0.000041800 2 29 -0.000001183 0.000008350 -0.000019506 3 29 -0.000043022 0.000035396 0.000020012 4 29 0.000008055 0.000034914 0.000006096 5 29 0.000013112 0.000015188 -0.000006186 6 29 -0.000002702 -0.000068152 0.000001148 7 29 -0.000007337 -0.000008718 0.000011732 8 29 -0.000014653 0.000020704 -0.000045957 9 6 -0.000003124 -0.000030773 -0.000013972 10 8 0.000011552 0.000024134 0.000004832 ------------------------------------------------------------------- Cartesian Forces: Max 0.000068152 RMS 0.000025522 Leave Link 716 at Fri Apr 11 13:39:26 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000025267 RMS 0.000006636 Search for a local minimum. Step number 1 out of a maximum of 100 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- first step. Eigenvalues --- 0.03031 0.03034 0.03622 0.05186 0.05572 Eigenvalues --- 0.05659 0.06225 0.06285 0.06288 0.07456 Eigenvalues --- 0.07497 0.08954 0.09365 0.09478 0.09539 Eigenvalues --- 0.10548 0.10587 0.11711 0.12375 0.12546 Eigenvalues --- 0.13974 0.13979 0.15072 1.187931000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.00000 RFO step: Lambda=-5.30118126D-08. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00005777 RMS(Int)= 0.00000000 Iteration 2 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.75852 0.00000 0.00000 0.00003 0.00003 4.75855 R2 4.95670 0.00001 0.00000 0.00010 0.00010 4.95681 R3 4.95916 0.00002 0.00000 0.00017 0.00017 4.95932 R4 4.75914 -0.00001 0.00000 -0.00010 -0.00010 4.75904 R5 7.99472 -0.00001 0.00000 -0.00013 -0.00013 7.99459 R6 4.75607 0.00001 0.00000 0.00012 0.00012 4.75619 R7 4.96159 0.00001 0.00000 0.00006 0.00006 4.96165 R8 4.44875 0.00001 0.00000 0.00007 0.00007 4.44882 R9 6.11190 0.00001 0.00000 0.00017 0.00017 6.11206 R10 4.72663 -0.00001 0.00000 -0.00009 -0.00009 4.72654 R11 4.72014 -0.00003 0.00000 -0.00030 -0.00030 4.71983 R12 4.72139 -0.00002 0.00000 -0.00018 -0.00018 4.72121 R13 4.72130 -0.00003 0.00000 -0.00030 -0.00030 4.72100 R14 4.45040 0.00000 0.00000 0.00005 0.00005 4.45045 R15 4.72328 -0.00001 0.00000 -0.00011 -0.00011 4.72316 R16 4.44959 0.00000 0.00000 0.00004 0.00004 4.44963 R17 6.09013 0.00001 0.00000 0.00029 0.00029 6.09042 R18 4.71982 -0.00002 0.00000 -0.00026 -0.00026 4.71955 R19 6.10731 0.00000 0.00000 -0.00019 -0.00019 6.10712 R20 2.21937 -0.00002 0.00000 -0.00002 -0.00002 2.21935 A1 1.81505 0.00000 0.00000 -0.00004 -0.00004 1.81501 A2 2.10291 0.00000 0.00000 0.00001 0.00001 2.10292 A3 1.53253 0.00000 0.00000 -0.00003 -0.00003 1.53249 A4 2.07772 0.00000 0.00000 -0.00001 -0.00001 2.07771 A5 1.81811 0.00000 0.00000 -0.00004 -0.00004 1.81807 A6 1.81866 0.00000 0.00000 -0.00003 -0.00003 1.81862 A7 1.81224 -0.00001 0.00000 -0.00005 -0.00005 1.81219 A8 1.81170 0.00000 0.00000 -0.00003 -0.00003 1.81167 A9 1.53241 0.00000 0.00000 -0.00002 -0.00002 1.53239 A10 2.09504 0.00000 0.00000 -0.00001 -0.00001 2.09503 A11 1.53327 -0.00001 0.00000 -0.00005 -0.00005 1.53322 A12 1.82170 -0.00001 0.00000 -0.00006 -0.00006 1.82164 A13 0.63846 0.00000 0.00000 -0.00003 -0.00003 0.63843 A14 1.77362 0.00000 0.00000 -0.00001 -0.00001 1.77360 A15 1.97444 0.00000 0.00000 0.00001 0.00001 1.97445 A16 2.99995 0.00000 0.00000 0.00000 0.00000 2.99995 A17 1.98060 0.00000 0.00000 0.00002 0.00002 1.98062 A18 1.96905 0.00000 0.00000 0.00002 0.00002 1.96907 A19 2.99723 0.00000 0.00000 -0.00001 -0.00001 2.99722 A20 1.98291 0.00000 0.00000 0.00001 0.00001 1.98293 A21 0.64133 0.00000 0.00000 -0.00005 -0.00005 0.64129 A22 1.77756 0.00000 0.00000 -0.00002 -0.00002 1.77754 A23 0.63905 0.00000 0.00000 0.00002 0.00002 0.63906 A24 1.77497 0.00000 0.00000 0.00004 0.00004 1.77501 A25 1.97961 0.00000 0.00000 0.00001 0.00001 1.97962 A26 1.97151 0.00000 0.00000 0.00001 0.00001 1.97152 A27 2.99783 0.00000 0.00000 -0.00002 -0.00002 2.99781 A28 1.48779 0.00000 0.00000 -0.00008 -0.00008 1.48771 A29 1.47130 0.00000 0.00000 0.00003 0.00003 1.47132 A30 2.25155 0.00000 0.00000 0.00003 0.00003 2.25158 A31 1.48386 0.00000 0.00000 -0.00002 -0.00002 1.48384 A32 2.24434 0.00000 0.00000 -0.00001 -0.00001 2.24432 A33 2.24959 0.00000 0.00000 0.00003 0.00003 2.24962 D1 -2.63211 0.00000 0.00000 0.00012 0.00012 -2.63199 D2 1.63350 0.00001 0.00000 0.00019 0.00019 1.63369 D3 3.13714 0.00001 0.00000 0.00015 0.00015 3.13729 D4 -1.63950 0.00000 0.00000 0.00008 0.00008 -1.63942 D5 2.62495 0.00001 0.00000 0.00019 0.00019 2.62513 D6 -1.63797 -0.00001 0.00000 -0.00015 -0.00015 -1.63812 D7 -2.63021 -0.00001 0.00000 -0.00013 -0.00013 -2.63033 D8 2.62591 0.00000 0.00000 -0.00007 -0.00007 2.62584 D9 3.14151 0.00000 0.00000 -0.00010 -0.00010 3.14141 D10 1.63633 0.00000 0.00000 -0.00003 -0.00003 1.63630 D11 1.64004 0.00000 0.00000 0.00001 0.00001 1.64005 D12 2.63085 0.00000 0.00000 -0.00001 -0.00001 2.63084 D13 -1.63235 -0.00001 0.00000 -0.00010 -0.00010 -1.63246 D14 -3.13703 0.00000 0.00000 -0.00006 -0.00006 -3.13709 D15 -2.62631 -0.00001 0.00000 -0.00009 -0.00009 -2.62639 D16 -0.58454 0.00000 0.00000 0.00006 0.00006 -0.58448 D17 -0.04833 0.00000 0.00000 -0.00006 -0.00006 -0.04840 D18 0.56662 0.00000 0.00000 0.00007 0.00007 0.56669 D19 -0.74016 0.00000 0.00000 0.00007 0.00007 -0.74009 D20 0.75130 0.00000 0.00000 0.00006 0.00006 0.75136 D21 -3.14115 0.00001 0.00000 0.00016 0.00016 -3.14099 D22 -0.73268 0.00000 0.00000 -0.00006 -0.00006 -0.73274 D23 0.75877 0.00000 0.00000 -0.00007 -0.00007 0.75870 D24 -3.13367 0.00000 0.00000 0.00003 0.00003 -3.13364 D25 -0.00517 0.00000 0.00000 0.00001 0.00001 -0.00516 D26 -0.00264 0.00000 0.00000 0.00000 0.00000 -0.00264 D27 0.59268 0.00000 0.00000 -0.00004 -0.00004 0.59265 D28 0.10319 0.00000 0.00000 0.00000 0.00000 0.10319 D29 -0.55677 0.00000 0.00000 -0.00002 -0.00002 -0.55679 D30 -0.01871 0.00000 0.00000 0.00000 0.00000 -0.01871 D31 -0.56562 0.00000 0.00000 -0.00006 -0.00006 -0.56568 D32 0.58581 0.00000 0.00000 -0.00004 -0.00004 0.58578 D33 0.05853 0.00000 0.00000 -0.00002 -0.00002 0.05851 D34 0.73653 0.00000 0.00000 -0.00003 -0.00003 0.73650 D35 -0.74133 0.00000 0.00000 -0.00006 -0.00006 -0.74139 D36 -3.14040 0.00000 0.00000 -0.00008 -0.00008 -3.14047 D37 0.73224 0.00000 0.00000 0.00006 0.00006 0.73229 D38 -0.74562 0.00000 0.00000 0.00003 0.00003 -0.74559 D39 3.13850 0.00000 0.00000 0.00001 0.00001 3.13851 D40 -0.75104 0.00000 0.00000 0.00002 0.00002 -0.75103 D41 0.74475 0.00000 0.00000 -0.00006 -0.00006 0.74468 D42 3.13993 0.00000 0.00000 -0.00008 -0.00008 3.13985 D43 -0.76277 0.00000 0.00000 0.00006 0.00006 -0.76271 D44 0.73302 0.00000 0.00000 -0.00002 -0.00002 0.73300 D45 3.12820 0.00000 0.00000 -0.00003 -0.00003 3.12817 Item Value Threshold Converged? Maximum Force 0.000025 0.000450 YES RMS Force 0.000007 0.000300 YES Maximum Displacement 0.000255 0.001800 YES RMS Displacement 0.000058 0.001200 YES Predicted change in Energy=-2.650602D-08 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 2.5181 -DE/DX = 0.0 ! ! R2 R(1,3) 2.623 -DE/DX = 0.0 ! ! R3 R(1,4) 2.6243 -DE/DX = 0.0 ! ! R4 R(1,5) 2.5184 -DE/DX = 0.0 ! ! R5 R(1,6) 4.2306 -DE/DX = 0.0 ! ! R6 R(1,7) 2.5168 -DE/DX = 0.0 ! ! R7 R(1,8) 2.6256 -DE/DX = 0.0 ! ! R8 R(2,3) 2.3542 -DE/DX = 0.0 ! ! R9 R(2,9) 3.2343 -DE/DX = 0.0 ! ! R10 R(3,4) 2.5012 -DE/DX = 0.0 ! ! R11 R(3,6) 2.4978 -DE/DX = 0.0 ! ! R12 R(3,8) 2.4984 -DE/DX = 0.0 ! ! R13 R(4,6) 2.4984 -DE/DX = 0.0 ! ! R14 R(4,7) 2.3551 -DE/DX = 0.0 ! ! R15 R(4,8) 2.4995 -DE/DX = 0.0 ! ! R16 R(5,8) 2.3546 -DE/DX = 0.0 ! ! R17 R(5,9) 3.2228 -DE/DX = 0.0 ! ! R18 R(6,8) 2.4976 -DE/DX = 0.0 ! ! R19 R(7,9) 3.2318 -DE/DX = 0.0 ! ! R20 R(9,10) 1.1744 -DE/DX = 0.0 ! ! A1 A(2,1,4) 103.9948 -DE/DX = 0.0 ! ! A2 A(2,1,5) 120.4878 -DE/DX = 0.0 ! ! A3 A(2,1,6) 87.8073 -DE/DX = 0.0 ! ! A4 A(2,1,7) 119.0445 -DE/DX = 0.0 ! ! A5 A(2,1,8) 104.1702 -DE/DX = 0.0 ! ! A6 A(3,1,5) 104.2013 -DE/DX = 0.0 ! ! A7 A(3,1,7) 103.8337 -DE/DX = 0.0 ! ! A8 A(4,1,5) 103.8028 -DE/DX = 0.0 ! ! A9 A(5,1,6) 87.8007 -DE/DX = 0.0 ! ! A10 A(5,1,7) 120.0369 -DE/DX = 0.0 ! ! A11 A(6,1,7) 87.8501 -DE/DX = 0.0 ! ! A12 A(7,1,8) 104.3755 -DE/DX = 0.0 ! ! A13 A(1,2,9) 36.581 -DE/DX = 0.0 ! ! A14 A(3,2,9) 101.6207 -DE/DX = 0.0 ! ! A15 A(2,3,4) 113.127 -DE/DX = 0.0 ! ! A16 A(2,3,6) 171.8844 -DE/DX = 0.0 ! ! A17 A(2,3,8) 113.48 -DE/DX = 0.0 ! ! A18 A(3,4,7) 112.8184 -DE/DX = 0.0 ! ! A19 A(6,4,7) 171.7286 -DE/DX = 0.0 ! ! A20 A(7,4,8) 113.6126 -DE/DX = 0.0 ! ! A21 A(1,5,9) 36.7456 -DE/DX = 0.0 ! ! A22 A(8,5,9) 101.8468 -DE/DX = 0.0 ! ! A23 A(1,7,9) 36.6146 -DE/DX = 0.0 ! ! A24 A(4,7,9) 101.6981 -DE/DX = 0.0 ! ! A25 A(3,8,5) 113.4234 -DE/DX = 0.0 ! ! A26 A(4,8,5) 112.9592 -DE/DX = 0.0 ! ! A27 A(5,8,6) 171.763 -DE/DX = 0.0 ! ! A28 A(2,9,5) 85.244 -DE/DX = 0.0 ! ! A29 A(2,9,7) 84.2991 -DE/DX = 0.0 ! ! A30 A(2,9,10) 129.0042 -DE/DX = 0.0 ! ! A31 A(5,9,7) 85.0187 -DE/DX = 0.0 ! ! A32 A(5,9,10) 128.591 -DE/DX = 0.0 ! ! A33 A(7,9,10) 128.892 -DE/DX = 0.0 ! ! D1 D(4,1,2,9) -150.8086 -DE/DX = 0.0 ! ! D2 D(5,1,2,9) 93.5927 -DE/DX = 0.0 ! ! D3 D(6,1,2,9) 179.7447 -DE/DX = 0.0 ! ! D4 D(7,1,2,9) -93.9364 -DE/DX = 0.0 ! ! D5 D(8,1,2,9) 150.3983 -DE/DX = 0.0 ! ! D6 D(2,1,5,9) -93.8489 -DE/DX = 0.0 ! ! D7 D(3,1,5,9) -150.6997 -DE/DX = 0.0 ! ! D8 D(4,1,5,9) 150.4534 -DE/DX = 0.0 ! ! D9 D(6,1,5,9) 179.9953 -DE/DX = 0.0 ! ! D10 D(7,1,5,9) 93.7549 -DE/DX = 0.0 ! ! D11 D(2,1,7,9) 93.9675 -DE/DX = 0.0 ! ! D12 D(3,1,7,9) 150.7366 -DE/DX = 0.0 ! ! D13 D(5,1,7,9) -93.5268 -DE/DX = 0.0 ! ! D14 D(6,1,7,9) -179.7387 -DE/DX = 0.0 ! ! D15 D(8,1,7,9) -150.4762 -DE/DX = 0.0 ! ! D16 D(9,2,3,4) -33.4917 -DE/DX = 0.0 ! ! D17 D(9,2,3,6) -2.7693 -DE/DX = 0.0 ! ! D18 D(9,2,3,8) 32.4648 -DE/DX = 0.0 ! ! D19 D(1,2,9,5) -42.4079 -DE/DX = 0.0 ! ! D20 D(1,2,9,7) 43.0461 -DE/DX = 0.0 ! ! D21 D(1,2,9,10) -179.9745 -DE/DX = 0.0 ! ! D22 D(3,2,9,5) -41.9797 -DE/DX = 0.0 ! ! D23 D(3,2,9,7) 43.4744 -DE/DX = 0.0 ! ! D24 D(3,2,9,10) -179.5462 -DE/DX = 0.0 ! ! D25 D(2,3,4,7) -0.2963 -DE/DX = 0.0 ! ! D26 D(2,3,8,5) -0.1514 -DE/DX = 0.0 ! ! D27 D(3,4,7,9) 33.9583 -DE/DX = 0.0 ! ! D28 D(6,4,7,9) 5.9121 -DE/DX = 0.0 ! ! D29 D(8,4,7,9) -31.9005 -DE/DX = 0.0 ! ! D30 D(7,4,8,5) -1.0722 -DE/DX = 0.0 ! ! D31 D(9,5,8,3) -32.4076 -DE/DX = 0.0 ! ! D32 D(9,5,8,4) 33.5647 -DE/DX = 0.0 ! ! D33 D(9,5,8,6) 3.3536 -DE/DX = 0.0 ! ! D34 D(1,5,9,2) 42.1999 -DE/DX = 0.0 ! ! D35 D(1,5,9,7) -42.4751 -DE/DX = 0.0 ! ! D36 D(1,5,9,10) -179.9315 -DE/DX = 0.0 ! ! D37 D(8,5,9,2) 41.954 -DE/DX = 0.0 ! ! D38 D(8,5,9,7) -42.721 -DE/DX = 0.0 ! ! D39 D(8,5,9,10) 179.8227 -DE/DX = 0.0 ! ! D40 D(1,7,9,2) -43.0315 -DE/DX = 0.0 ! ! D41 D(1,7,9,5) 42.6708 -DE/DX = 0.0 ! ! D42 D(1,7,9,10) 179.9046 -DE/DX = 0.0 ! ! D43 D(4,7,9,2) -43.7035 -DE/DX = 0.0 ! ! D44 D(4,7,9,5) 41.9987 -DE/DX = 0.0 ! ! D45 D(4,7,9,10) 179.2326 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Largest change from initial coordinates is atom 0 0.000 Angstoms. Leave Link 103 at Fri Apr 11 13:39:27 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 0.178908 -1.822240 0.335073 2 29 0 2.137618 -1.593005 -1.230725 3 29 0 0.811801 0.339629 -1.008713 4 29 0 -1.609502 -0.167183 -0.639191 5 29 0 0.384647 -1.132051 2.748328 6 29 0 -0.799478 2.194969 -0.561004 7 29 0 -2.063501 -2.477744 -0.600988 8 29 0 -0.187572 0.605354 1.265687 9 6 0 0.625795 -3.651656 0.753435 10 8 0 0.896894 -4.765347 1.009371 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.518098 0.000000 3 Cu 2.622975 2.354178 0.000000 4 Cu 2.624274 4.052627 2.501222 0.000000 5 Cu 2.518430 4.372442 4.057543 4.047577 0.000000 6 Cu 4.230623 4.839815 2.497789 2.498402 4.839720 7 Cu 2.516802 4.339209 4.046133 2.355051 4.361449 8 Cu 2.625560 4.058493 2.498450 2.499451 2.354619 9 C 1.929118 3.234277 4.366936 4.367781 3.222757 10 O 3.103556 4.076908 5.490054 5.490254 4.060445 6 7 8 9 10 6 Cu 0.000000 7 Cu 4.840826 0.000000 8 Cu 2.497620 4.063136 0.000000 9 C 6.159723 3.231849 4.364184 0.000000 10 O 7.334150 4.073122 5.485088 1.174438 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): 0.3181976 0.2209847 0.2200011 Leave Link 202 at Fri Apr 11 13:39:27 2008, MaxMem= 1258291200 cpu: 0.1 (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 -- -19.25759 -10.34264 -4.33863 -4.29930 -4.29905 Alpha occ. eigenvalues -- -4.29895 -4.29158 -4.27393 -4.27376 -4.27375 Alpha occ. eigenvalues -- -2.84997 -2.84231 -2.84226 -2.80919 -2.80784 Alpha occ. eigenvalues -- -2.80774 -2.80668 -2.80627 -2.80617 -2.80462 Alpha occ. eigenvalues -- -2.80451 -2.80398 -2.80123 -2.79737 -2.79737 Alpha occ. eigenvalues -- -2.78367 -2.78351 -2.78349 -2.78163 -2.78146 Alpha occ. eigenvalues -- -2.78144 -2.77881 -2.77865 -2.77863 -1.17386 Alpha occ. eigenvalues -- -0.57789 -0.47216 -0.47212 -0.46624 -0.35044 Alpha occ. eigenvalues -- -0.32759 -0.32756 -0.32535 -0.32131 -0.32126 Alpha occ. eigenvalues -- -0.31797 -0.30627 -0.30607 -0.30086 -0.29870 Alpha occ. eigenvalues -- -0.29868 -0.28733 -0.28726 -0.28428 -0.27714 Alpha occ. eigenvalues -- -0.27669 -0.27656 -0.27108 -0.27097 -0.26925 Alpha occ. eigenvalues -- -0.26784 -0.26779 -0.26668 -0.26666 -0.26101 Alpha occ. eigenvalues -- -0.25591 -0.25590 -0.25345 -0.25241 -0.25175 Alpha occ. eigenvalues -- -0.25101 -0.25094 -0.25053 -0.25042 -0.24888 Alpha occ. eigenvalues -- -0.24876 -0.24866 -0.24563 -0.24195 -0.24183 Alpha occ. eigenvalues -- -0.20052 -0.19998 -0.19815 Alpha virt. eigenvalues -- -0.09017 -0.08917 -0.08892 -0.06385 -0.06338 Alpha virt. eigenvalues -- -0.04242 -0.02217 -0.01978 -0.01941 -0.00872 Alpha virt. eigenvalues -- -0.00857 0.01949 0.01964 0.02592 0.02707 Alpha virt. eigenvalues -- 0.03348 0.03850 0.03855 0.04170 0.04187 Alpha virt. eigenvalues -- 0.04860 0.05465 0.05741 0.05766 0.06813 Alpha virt. eigenvalues -- 0.06844 0.07373 0.07380 0.07714 0.08134 Alpha virt. eigenvalues -- 0.08266 0.09228 0.09234 0.11232 0.11381 Alpha virt. eigenvalues -- 0.11951 0.11958 0.12456 0.12493 0.14508 Alpha virt. eigenvalues -- 0.14600 0.17272 0.17291 0.18796 0.21806 Alpha virt. eigenvalues -- 0.23868 0.25642 0.25735 0.25835 0.29422 Alpha virt. eigenvalues -- 0.29461 0.30284 0.30327 0.30450 0.32190 Alpha virt. eigenvalues -- 0.40185 0.40213 0.55001 0.61387 0.63276 Alpha virt. eigenvalues -- 0.63371 0.66867 0.69228 0.69362 0.70538 Alpha virt. eigenvalues -- 0.71037 0.71154 0.76904 0.76961 0.77082 Alpha virt. eigenvalues -- 0.81594 0.81609 0.81756 0.82590 0.83651 Alpha virt. eigenvalues -- 0.83936 0.87184 0.87197 0.88261 0.91797 Alpha virt. eigenvalues -- 0.95976 0.96007 0.97255 0.97361 1.01136 Alpha virt. eigenvalues -- 1.04197 1.06311 1.06625 1.08916 1.09009 Alpha virt. eigenvalues -- 1.12217 1.12337 1.13675 1.15275 1.25134 Alpha virt. eigenvalues -- 1.25441 1.29930 1.30397 1.30564 1.33886 Alpha virt. eigenvalues -- 1.33925 1.34902 1.50905 1.66033 2.03182 Alpha virt. eigenvalues -- 2.21981 2.22373 2.75159 2.76346 3.56793 Alpha virt. eigenvalues -- 10.43626 Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.25759 -10.34264 -4.33863 -4.29930 -4.29905 1 1 Cu 1S 0.00048 0.00141 0.99871 -0.00336 -0.00101 2 2S 0.00064 0.00227 0.00325 -0.00209 -0.00062 3 3S 0.00096 0.01078 0.01654 -0.00119 -0.00025 4 4PX 0.00001 0.00001 0.00008 0.00002 0.00000 5 4PY -0.00004 -0.00005 -0.00033 -0.00010 -0.00002 6 4PZ 0.00001 0.00001 0.00008 0.00001 0.00005 7 5PX -0.00007 0.00221 -0.00233 -0.00035 -0.00047 8 5PY 0.00028 -0.00917 0.00944 0.00043 0.00053 9 5PZ -0.00006 0.00203 -0.00219 -0.00079 0.00186 10 6PX -0.00077 -0.00094 0.00066 0.00020 -0.00030 11 6PY 0.00323 0.00348 -0.00302 -0.00222 -0.00025 12 6PZ -0.00072 -0.00095 0.00058 -0.00035 0.00229 13 7D 0 -0.00001 0.00001 -0.00067 0.00000 0.00000 14 7D+1 0.00000 0.00000 0.00014 0.00000 0.00000 15 7D-1 -0.00001 0.00001 -0.00056 0.00000 0.00001 16 7D+2 -0.00002 0.00002 -0.00116 0.00000 0.00000 17 7D-2 -0.00001 0.00001 -0.00060 0.00000 0.00000 18 8D 0 0.00009 -0.00031 0.00021 0.00013 0.00002 19 8D+1 -0.00002 0.00006 -0.00004 -0.00001 -0.00001 20 8D-1 0.00007 -0.00026 0.00018 0.00005 0.00019 21 8D+2 0.00015 -0.00054 0.00036 0.00024 0.00002 22 8D-2 0.00008 -0.00028 0.00019 0.00010 -0.00001 23 2 Cu 1S 0.00006 -0.00040 0.00063 0.00319 0.00476 24 2S 0.00011 -0.00067 -0.00059 0.00068 0.00013 25 3S 0.00000 -0.00454 -0.00419 0.00011 0.00271 26 4PX 0.00000 -0.00001 0.00003 0.00000 0.00006 27 4PY 0.00000 0.00002 -0.00001 -0.00003 -0.00007 28 4PZ 0.00000 0.00000 -0.00002 0.00001 -0.00002 29 5PX -0.00005 0.00115 0.00120 -0.00031 -0.00104 30 5PY -0.00002 0.00008 0.00017 0.00074 0.00075 31 5PZ 0.00004 -0.00090 -0.00096 0.00009 0.00020 32 6PX 0.00001 0.00056 0.00037 0.00031 0.00040 33 6PY -0.00080 -0.00115 0.00064 0.00040 -0.00016 34 6PZ 0.00032 0.00008 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2S 0.00121 0.00004 -0.00002 0.00488 0.17621 113 3S 0.01216 -0.00092 -0.00003 -0.05924 0.01722 114 4PX -0.00018 0.00000 -0.00003 -0.00047 -0.00925 115 4PY 0.00074 0.00001 -0.00002 0.00193 0.03792 116 4PZ -0.00016 -0.00003 0.00000 -0.00043 -0.00853 117 5PX 0.00161 0.00009 0.00169 -0.00179 0.01157 118 5PY -0.00675 0.00053 0.00038 0.00739 -0.04775 119 5PZ 0.00144 0.00177 -0.00019 -0.00163 0.01065 120 6PX -0.00091 -0.00011 -0.01119 -0.00205 0.00117 121 6PY 0.00405 -0.00247 -0.00260 0.00741 -0.00627 122 6PZ -0.00039 -0.01069 0.00095 -0.00212 0.00131 123 7D 0 -0.00011 -0.00005 0.00001 -0.00175 -0.09556 124 7D+1 0.00002 -0.00002 -0.00001 0.00034 0.01897 125 7D-1 -0.00009 0.00006 0.00000 -0.00141 -0.07772 126 7D+2 -0.00019 -0.00003 -0.00002 -0.00296 -0.16224 127 7D-2 -0.00010 -0.00001 0.00008 -0.00153 -0.08424 128 8D 0 -0.00028 0.00006 -0.00002 -0.00003 -0.03387 129 8D+1 0.00005 0.00005 0.00007 0.00000 0.00672 130 8D-1 -0.00022 -0.00021 0.00004 -0.00002 -0.02752 131 8D+2 -0.00047 0.00007 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7D-1 0.66195 0.11337 0.20580 0.09507 -0.06509 16 7D+2 -0.16226 -0.38584 0.42103 0.02262 -0.28945 17 7D-2 -0.23259 0.44814 0.21002 0.48671 0.07660 18 8D 0 -0.02043 0.02935 0.08925 -0.13807 0.17349 19 8D+1 0.02114 -0.12604 -0.01432 0.13713 0.15476 20 8D-1 0.21518 0.03721 0.06712 0.03105 -0.02343 21 8D+2 -0.05147 -0.12518 0.13752 0.00583 -0.09241 22 8D-2 -0.07580 0.14755 0.06858 0.15795 0.02547 23 2 Cu 1S 0.00300 -0.00219 -0.00161 -0.00035 -0.00040 24 2S -0.04837 0.03559 0.09427 -0.03004 -0.04891 25 3S -0.03358 0.02519 0.09176 -0.07520 -0.11023 26 4PX -0.01020 0.00838 0.01632 -0.00879 -0.00638 27 4PY 0.00931 -0.00613 -0.00203 -0.00290 -0.00013 28 4PZ 0.00486 -0.00251 -0.01118 0.00010 0.01027 29 5PX 0.02047 -0.01915 -0.04387 0.02841 0.01492 30 5PY -0.01974 0.01175 -0.00309 0.01203 0.00280 31 5PZ -0.01165 0.00369 0.03308 0.00304 -0.03312 32 6PX -0.00971 0.02626 0.00558 -0.01846 -0.00183 33 6PY 0.03668 -0.01577 0.02738 -0.01472 -0.00571 34 6PZ 0.01305 0.01602 -0.01471 -0.00771 0.02243 35 7D 0 0.02443 -0.03848 -0.00963 0.06075 -0.04565 36 7D+1 0.06074 -0.04838 -0.09976 0.03500 0.11326 37 7D-1 -0.04972 0.04841 0.00464 0.04913 0.01623 38 7D+2 -0.04983 0.03442 0.06073 -0.06639 -0.00179 39 7D-2 0.10085 -0.05549 -0.02120 -0.02802 -0.00897 40 8D 0 0.00883 -0.01497 -0.00280 0.02417 -0.01811 41 8D+1 0.02246 -0.01820 -0.03442 0.01090 0.03995 42 8D-1 -0.01789 0.01849 0.00275 0.01885 0.00613 43 8D+2 -0.01852 0.01227 0.02260 -0.02429 0.00168 44 8D-2 0.03800 -0.02015 -0.00720 -0.01116 -0.00338 45 3 Cu 1S -0.00137 0.00096 -0.00149 0.00074 0.00108 46 2S -0.07541 0.05435 0.01992 0.00173 0.00074 47 3S -0.13239 0.09510 -0.07980 0.04745 0.07122 48 4PX -0.00188 -0.00361 -0.00940 -0.00200 0.00464 49 4PY -0.01337 0.00716 0.00569 -0.00170 0.00114 50 4PZ 0.00136 -0.00760 0.00499 -0.00543 0.00118 51 5PX 0.02925 -0.02039 0.02647 -0.00306 -0.02024 52 5PY 0.03285 -0.02336 -0.01506 -0.00267 -0.00940 53 5PZ -0.03432 0.02555 -0.01411 0.01812 0.00850 54 6PX 0.01038 -0.01254 -0.03686 0.01083 0.03867 55 6PY -0.04855 0.03448 0.00271 -0.05970 -0.07189 56 6PZ 0.00698 -0.01099 0.02710 -0.01115 0.01812 57 7D 0 0.12366 0.02248 -0.07516 0.10463 -0.01429 58 7D+1 -0.01397 0.00015 0.14699 0.02134 -0.02250 59 7D-1 0.06334 -0.07442 0.03026 -0.07704 0.03697 60 7D+2 0.12253 -0.11172 -0.14158 0.04275 0.01581 61 7D-2 0.01821 -0.07382 -0.11248 -0.03525 0.11551 62 8D 0 0.04254 0.00770 -0.02589 0.03741 -0.00510 63 8D+1 -0.00397 0.00004 0.05330 0.00818 -0.00848 64 8D-1 0.02118 -0.02626 0.01095 -0.02855 0.01403 65 8D+2 0.04219 -0.03751 -0.05013 0.01623 0.00521 66 8D-2 0.00609 -0.02583 -0.03880 -0.01306 0.04161 67 4 Cu 1S -0.00018 -0.00168 -0.00145 -0.00132 0.00008 68 2S -0.00969 -0.09221 0.02122 -0.00168 -0.00116 69 3S -0.01660 -0.16332 -0.07641 -0.08639 0.00409 70 4PX 0.00341 0.00683 0.00729 0.00287 -0.00315 71 4PY -0.00205 -0.01341 0.00937 0.00121 0.00035 72 4PZ -0.00592 0.00516 0.00226 0.00176 0.00620 73 5PX -0.00651 -0.05934 -0.02019 -0.02430 0.00706 74 5PY 0.00219 0.01986 -0.02520 -0.00002 0.00021 75 5PZ -0.00211 -0.02818 -0.00618 -0.01195 -0.01198 76 6PX 0.00305 0.01319 0.03774 -0.00609 -0.00863 77 6PY -0.00688 -0.05922 0.01750 0.10052 -0.00014 78 6PZ -0.00435 0.01329 0.01614 -0.01190 0.02334 79 7D 0 0.07940 0.08585 -0.00519 -0.04802 -0.08319 80 7D+1 0.06683 -0.03891 -0.10461 -0.01780 -0.06199 81 7D-1 -0.00871 0.08177 -0.03838 0.00094 0.10348 82 7D+2 -0.01822 0.13924 -0.21532 -0.08480 0.04037 83 7D-2 0.02778 0.10327 -0.04750 0.02038 -0.05756 84 8D 0 0.02750 0.02987 -0.00054 -0.01720 -0.03001 85 8D+1 0.02281 -0.01377 -0.03792 -0.00631 -0.02195 86 8D-1 -0.00422 0.02801 -0.01352 0.00039 0.03868 87 8D+2 -0.00609 0.04746 -0.07576 -0.03041 0.01412 88 8D-2 0.01005 0.03491 -0.01757 0.00702 -0.02128 89 5 Cu 1S -0.00341 -0.00155 -0.00167 -0.00027 0.00054 90 2S 0.05283 0.02449 0.09773 -0.02330 0.04880 91 3S 0.03543 0.01660 0.09763 -0.05864 0.11722 92 4PX 0.00309 0.00279 0.00267 -0.00656 -0.00227 93 4PY -0.00808 -0.00325 0.00153 -0.00310 0.00303 94 4PZ 0.01362 0.00608 0.02045 -0.00434 0.01132 95 5PX -0.00512 -0.00856 -0.00548 0.02429 0.01036 96 5PY 0.01661 0.00585 -0.01312 0.01172 -0.01187 97 5PZ -0.02862 -0.01250 -0.05531 0.01166 -0.03225 98 6PX -0.00040 0.02917 -0.00535 -0.02133 -0.01114 99 6PY -0.03625 -0.01004 0.03079 -0.01199 0.01119 100 6PZ 0.02449 0.00640 0.00961 -0.00373 0.01512 101 7D 0 0.11494 0.04952 0.12016 -0.01797 0.09511 102 7D+1 0.04370 0.03187 0.02998 -0.09535 -0.03127 103 7D-1 -0.09200 -0.04122 0.01548 -0.05080 0.05582 104 7D+2 0.00834 -0.00482 -0.01288 0.00415 -0.04160 105 7D-2 -0.02159 0.01319 -0.00428 -0.00100 -0.00792 106 8D 0 0.04267 0.01832 0.04249 -0.00462 0.03240 107 8D+1 0.01624 0.01202 0.01040 -0.03706 -0.01330 108 8D-1 -0.03421 -0.01551 0.00522 -0.01899 0.02015 109 8D+2 0.00290 -0.00243 -0.00285 0.00156 -0.01569 110 8D-2 -0.00870 0.00591 -0.00083 -0.00076 -0.00330 111 6 Cu 1S -0.00004 0.00002 0.00383 0.00008 -0.00010 112 2S -0.00130 -0.00020 0.04198 0.00144 -0.00151 113 3S -0.00126 0.00074 0.11585 0.00466 -0.00571 114 4PX 0.00208 -0.00611 -0.00096 0.00256 0.00097 115 4PY -0.00112 -0.00193 0.00393 0.00102 -0.00058 116 4PZ -0.00614 -0.00166 -0.00105 0.00080 -0.00274 117 5PX -0.00398 0.01131 0.00999 -0.01600 -0.00625 118 5PY 0.00247 0.00338 -0.04041 -0.00658 0.00402 119 5PZ 0.01110 0.00301 0.00965 -0.00488 0.01679 120 6PX 0.01099 -0.03354 0.00856 0.04408 0.01637 121 6PY -0.00472 -0.01041 -0.03722 0.01339 -0.00502 122 6PZ -0.03379 -0.00877 0.00614 0.01395 -0.04388 123 7D 0 0.05280 0.02933 0.01738 -0.00558 0.01706 124 7D+1 0.03527 -0.00800 -0.00233 -0.01142 0.00765 125 7D-1 -0.05743 -0.01574 0.01132 0.00970 -0.04021 126 7D+2 -0.01021 0.03078 0.02837 -0.02187 0.00141 127 7D-2 0.02463 -0.07742 0.01449 0.03646 0.01498 128 8D 0 0.01833 0.01061 0.00671 -0.00098 0.00503 129 8D+1 0.01259 -0.00410 -0.00094 -0.00542 0.00164 130 8D-1 -0.01780 -0.00510 0.00453 0.00343 -0.01500 131 8D+2 -0.00411 0.00945 0.01113 -0.00829 0.00121 132 8D-2 0.00783 -0.02553 0.00568 0.01257 0.00546 133 7 Cu 1S 0.00036 0.00368 -0.00166 0.00052 0.00005 134 2S -0.00640 -0.05850 0.09455 0.05819 -0.00618 135 3S -0.00475 -0.04051 0.09113 0.13378 -0.00723 136 4PX 0.00034 0.00843 -0.01658 -0.01237 -0.00176 137 4PY 0.00188 0.01551 -0.00915 -0.00297 0.00117 138 4PZ 0.00129 0.00196 -0.00628 -0.00482 0.00697 139 5PX 0.00050 -0.01803 0.04865 0.03656 0.00833 140 5PY -0.00431 -0.03217 0.01692 0.00449 -0.00283 141 5PZ -0.00538 -0.00387 0.01913 0.01451 -0.02608 142 6PX -0.01014 0.00605 -0.01934 -0.02062 -0.00977 143 6PY 0.00731 0.04481 0.02084 0.00684 0.00349 144 6PZ 0.02430 -0.00559 -0.01045 -0.00783 0.02318 145 7D 0 -0.00787 0.06633 -0.05104 -0.05469 -0.04629 146 7D+1 -0.01310 -0.01762 0.05946 0.08617 -0.07132 147 7D-1 0.00689 -0.04860 0.02564 0.00057 -0.05269 148 7D+2 0.01101 0.03830 0.04351 0.07695 0.03502 149 7D-2 -0.02322 -0.14144 0.07508 0.02242 0.00996 150 8D 0 -0.00357 0.02498 -0.01694 -0.01914 -0.01870 151 8D+1 -0.00529 -0.00663 0.01997 0.03021 -0.02788 152 8D-1 0.00348 -0.01800 0.00971 -0.00079 -0.02029 153 8D+2 0.00421 0.01448 0.01595 0.02699 0.01401 154 8D-2 -0.00915 -0.05235 0.02735 0.00596 0.00399 155 8 Cu 1S 0.00158 0.00069 -0.00152 0.00055 -0.00109 156 2S 0.08437 0.03793 0.02158 0.00076 -0.00083 157 3S 0.15169 0.06722 -0.08081 0.03585 -0.07067 158 4PX -0.00017 -0.00743 -0.00242 -0.00601 -0.00324 159 4PY 0.01508 0.00525 0.00402 -0.00109 -0.00107 160 4PZ 0.00003 0.00105 -0.01129 0.00209 -0.00210 161 5PX 0.00285 0.00209 0.00672 0.01180 0.00584 162 5PY -0.04657 -0.02079 -0.00972 -0.00416 0.01331 163 5PZ -0.04273 -0.01895 0.03116 -0.01080 0.01804 164 6PX -0.01055 -0.01122 -0.00633 -0.01043 -0.03176 165 6PY 0.05394 0.02177 -0.00025 -0.04451 0.07562 166 6PZ -0.01234 -0.00405 -0.04834 0.02123 -0.03185 167 7D 0 -0.09867 -0.02348 -0.16184 0.00883 0.00308 168 7D+1 0.04029 -0.06602 0.00502 -0.04633 0.00225 169 7D-1 -0.03172 -0.02121 -0.18102 0.04250 -0.05945 170 7D+2 -0.16158 -0.05389 -0.04949 0.06808 -0.00925 171 7D-2 -0.04408 -0.09486 -0.04815 -0.12027 -0.08985 172 8D 0 -0.03308 -0.00791 -0.05838 0.00294 0.00088 173 8D+1 0.01378 -0.02203 0.00117 -0.01572 0.00122 174 8D-1 -0.01086 -0.00695 -0.06361 0.01565 -0.02115 175 8D+2 -0.05579 -0.01804 -0.01647 0.02508 -0.00309 176 8D-2 -0.01474 -0.03346 -0.01648 -0.04418 -0.03275 177 9 C 1S 0.00009 -0.00004 -0.01359 -0.00047 0.00055 178 2S -0.00024 0.00002 0.02621 0.00110 -0.00125 179 3S 0.00003 0.00058 0.06994 0.00112 -0.00160 180 4PX 0.00998 -0.02956 -0.01109 -0.01946 -0.00662 181 4PY -0.00485 -0.00896 0.04765 -0.00444 0.00086 182 4PZ -0.03015 -0.00845 -0.01038 -0.00641 0.01978 183 5PX 0.01074 -0.03211 -0.00184 -0.01304 -0.00488 184 5PY -0.00467 -0.00974 0.00933 -0.00436 0.00199 185 5PZ -0.03289 -0.00921 -0.00194 -0.00397 0.01314 186 10 O 1S -0.00002 0.00001 0.00279 0.00009 -0.00010 187 2S 0.00004 -0.00006 -0.01012 -0.00028 0.00033 188 3S 0.00012 -0.00001 -0.00614 -0.00026 0.00032 189 4PX -0.03063 0.09102 0.01038 0.05651 0.02037 190 4PY 0.01427 0.02785 -0.04862 0.01641 -0.00645 191 4PZ 0.09318 0.02599 0.00924 0.01819 -0.05738 192 5PX -0.01872 0.05568 0.00344 0.03030 0.01104 193 5PY 0.00859 0.01706 -0.01762 0.00915 -0.00384 194 5PZ 0.05700 0.01589 0.00304 0.00964 -0.03069 46 47 48 49 50 O O O O O EIGENVALUES -- -0.31797 -0.30627 -0.30607 -0.30086 -0.29870 1 1 Cu 1S -0.00056 0.00000 -0.00001 -0.00181 0.00003 2 2S 0.15297 0.00002 0.00023 0.04646 -0.00108 3 3S 0.19137 -0.00031 -0.00087 -0.09545 0.00016 4 4PX 0.01229 0.00191 -0.00025 -0.00603 0.00155 5 4PY -0.04993 0.00072 0.00104 0.02496 0.00008 6 4PZ 0.01152 -0.00010 0.00191 -0.00569 0.00103 7 5PX -0.06062 0.01756 -0.00029 0.02608 -0.00411 8 5PY 0.24848 0.00290 0.00045 -0.10906 0.00036 9 5PZ -0.05601 0.00064 0.01709 0.02426 -0.00258 10 6PX 0.00585 0.08086 -0.00214 0.01961 -0.08209 11 6PY -0.01216 0.01941 0.01791 -0.08778 -0.02987 12 6PZ 0.01007 -0.00181 0.08323 0.01395 -0.05107 13 7D 0 -0.01050 0.05738 0.08152 0.18157 0.09552 14 7D+1 0.00226 -0.15917 0.03575 -0.03622 -0.11253 15 7D-1 -0.00854 -0.02291 0.14267 0.14618 0.03590 16 7D+2 -0.00802 -0.06506 -0.08839 0.30626 -0.09722 17 7D-2 -0.00263 0.05212 -0.03017 0.15874 -0.00234 18 8D 0 -0.00529 0.01764 0.02429 0.05747 0.02911 19 8D+1 0.00111 -0.04927 0.01052 -0.01147 -0.03472 20 8D-1 -0.00433 -0.00712 0.04558 0.04628 0.01127 21 8D+2 -0.00594 -0.02083 -0.02738 0.09692 -0.03019 22 8D-2 -0.00259 0.01775 -0.00939 0.05024 -0.00024 23 2 Cu 1S -0.00386 0.00017 -0.00011 0.00106 0.00030 24 2S 0.02955 -0.03656 0.02937 0.00367 -0.01128 25 3S 0.00669 -0.08727 0.06884 0.02924 -0.02763 26 4PX 0.00695 -0.00479 0.00187 -0.00117 0.00048 27 4PY 0.00137 0.00818 -0.00742 0.00770 0.00370 28 4PZ -0.00578 -0.00183 -0.00115 -0.00207 0.00311 29 5PX -0.00629 0.02342 -0.00971 -0.00264 -0.00609 30 5PY -0.01551 -0.02867 0.02713 0.00042 -0.00908 31 5PZ 0.01101 0.00338 0.00853 0.00117 -0.01608 32 6PX 0.00509 -0.00123 -0.01508 0.00043 0.00855 33 6PY 0.00440 0.01663 -0.02160 0.02611 -0.00148 34 6PZ -0.00714 -0.02375 -0.00334 -0.00933 0.02572 35 7D 0 0.02338 0.04778 -0.06336 0.07328 0.01289 36 7D+1 -0.06946 -0.04304 0.00441 -0.03333 0.02307 37 7D-1 0.04106 0.03138 0.03945 -0.08595 -0.05501 38 7D+2 0.09685 0.05490 -0.08685 0.02741 0.06071 39 7D-2 -0.00057 0.10706 -0.03712 0.16042 0.03293 40 8D 0 0.00732 0.01555 -0.02317 0.02414 0.00396 41 8D+1 -0.02479 -0.01464 0.00074 -0.00990 0.00895 42 8D-1 0.01266 0.01264 0.01426 -0.02929 -0.02027 43 8D+2 0.03196 0.01891 -0.03080 0.00768 0.02116 44 8D-2 -0.00032 0.03746 -0.01124 0.05347 0.01028 45 3 Cu 1S -0.00510 -0.00270 0.00222 0.00180 0.00020 46 2S 0.06424 -0.07787 0.06095 -0.02707 0.00216 47 3S -0.03705 -0.04666 0.03694 0.08834 0.05068 48 4PX 0.00254 0.00085 0.00815 0.00348 -0.00189 49 4PY 0.02139 0.00477 0.00087 -0.00219 -0.00353 50 4PZ -0.01040 0.00738 0.00618 -0.00234 -0.00869 51 5PX 0.00126 0.03316 -0.04112 -0.02469 -0.00810 52 5PY 0.00914 -0.03289 0.01729 0.00619 0.00285 53 5PZ -0.00472 -0.02896 0.00190 0.01672 0.02065 54 6PX -0.00006 -0.00491 0.00880 -0.02864 0.00774 55 6PY 0.03749 -0.01067 0.01325 0.01136 -0.07753 56 6PZ -0.01600 0.01288 -0.00294 0.01514 -0.02950 57 7D 0 0.06635 -0.03910 -0.23557 0.15281 0.40366 58 7D+1 -0.03392 0.11936 0.10251 -0.12465 -0.12221 59 7D-1 -0.25581 -0.23698 -0.06897 0.06819 0.09396 60 7D+2 -0.11231 0.13733 0.20708 0.24893 -0.13806 61 7D-2 0.27379 0.19832 -0.18341 0.14575 0.00169 62 8D 0 0.02259 -0.01272 -0.07838 0.05080 0.13280 63 8D+1 -0.01085 0.04192 0.03439 -0.04327 -0.04123 64 8D-1 -0.08505 -0.08152 -0.02478 0.02121 0.03278 65 8D+2 -0.03710 0.04597 0.07174 0.08275 -0.04583 66 8D-2 0.09172 0.06581 -0.06304 0.04948 0.00178 67 4 Cu 1S -0.00510 0.00324 0.00133 0.00177 -0.00066 68 2S 0.06451 0.09202 0.03564 -0.02765 -0.00163 69 3S -0.03715 0.05444 0.02631 0.08622 -0.14749 70 4PX -0.01356 -0.00116 -0.00576 -0.00278 0.00910 71 4PY 0.01800 -0.00498 -0.00080 -0.00345 0.00610 72 4PZ -0.00791 -0.00485 0.01003 -0.00130 0.00171 73 5PX -0.00602 0.03204 0.02227 0.02320 -0.04929 74 5PY 0.00781 0.05254 0.01742 0.01610 -0.01754 75 5PZ -0.00377 0.01670 -0.01390 0.00907 -0.01726 76 6PX -0.02014 -0.01519 -0.00977 0.02487 0.00586 77 6PY 0.03281 0.01274 -0.00322 0.02358 0.20031 78 6PZ -0.01209 -0.01080 0.00352 0.00687 -0.02732 79 7D 0 0.01568 -0.05731 -0.14054 0.09954 -0.15816 80 7D+1 0.12834 0.03313 -0.19614 0.05944 0.03958 81 7D-1 -0.12093 0.16643 -0.25531 0.10846 -0.03306 82 7D+2 0.17295 -0.23529 0.05125 0.29066 -0.38338 83 7D-2 -0.30918 0.17153 0.18014 0.12146 0.03000 84 8D 0 0.00587 -0.02007 -0.04640 0.03212 -0.05276 85 8D+1 0.04240 0.01166 -0.06531 0.02148 0.01273 86 8D-1 -0.04015 0.05771 -0.08842 0.03565 -0.01146 87 8D+2 0.05808 -0.07810 0.01770 0.09800 -0.12829 88 8D-2 -0.10312 0.05855 0.06244 0.03966 0.00837 89 5 Cu 1S -0.00380 0.00005 0.00022 0.00105 0.00054 90 2S 0.02779 -0.00722 -0.04647 0.00368 -0.02134 91 3S 0.00462 -0.01969 -0.10748 0.02738 -0.05015 92 4PX 0.00057 -0.00302 -0.00256 -0.00175 0.00160 93 4PY 0.00317 0.00121 0.01060 0.00789 0.00506 94 4PZ 0.00825 -0.00045 -0.00525 -0.00102 -0.00392 95 5PX 0.00255 0.01317 0.00942 -0.00052 -0.01243 96 5PY -0.01801 -0.00361 -0.03555 0.00029 -0.00796 97 5PZ -0.00809 0.00295 0.02655 -0.00260 0.01173 98 6PX -0.00132 -0.02240 -0.00146 -0.00470 0.02104 99 6PY 0.00932 -0.00099 0.03099 0.02484 -0.01444 100 6PZ 0.00803 0.00464 0.01158 0.00038 -0.01548 101 7D 0 0.10988 0.01334 0.05583 -0.00853 -0.00710 102 7D+1 0.01559 -0.01924 -0.02321 -0.04533 0.00979 103 7D-1 0.01908 0.00683 0.12704 0.19663 0.11510 104 7D+2 0.05394 -0.01895 0.08360 0.00776 0.06002 105 7D-2 0.02535 0.07591 0.04345 0.03384 -0.00018 106 8D 0 0.03754 0.00445 0.01932 -0.00474 -0.00371 107 8D+1 0.00550 -0.00612 -0.00801 -0.01540 0.00421 108 8D-1 0.00703 0.00189 0.04284 0.06525 0.03885 109 8D+2 0.01651 -0.00744 0.02995 0.00178 0.02031 110 8D-2 0.00790 0.02884 0.01483 0.01089 -0.00170 111 6 Cu 1S -0.00255 0.00001 0.00002 -0.00216 0.00003 112 2S -0.05748 0.00005 -0.00028 -0.08507 0.00183 113 3S -0.08239 0.00038 0.00004 -0.23061 0.00391 114 4PX 0.00336 0.01510 -0.00072 0.00213 0.00290 115 4PY -0.01352 0.00369 0.00326 -0.00887 0.00130 116 4PZ 0.00321 -0.00008 0.01521 0.00191 0.00177 117 5PX -0.01557 -0.02256 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4PY -0.00195 -0.01110 -0.00430 0.00740 -0.00931 138 4PZ -0.00348 0.00217 -0.00173 -0.00190 0.00098 139 5PX 0.01521 0.00782 -0.00239 0.00230 0.01009 140 5PY -0.01083 0.04284 0.01643 0.00130 0.01450 141 5PZ 0.00790 -0.00562 0.00909 0.00052 -0.00042 142 6PX -0.00797 0.01717 0.01746 -0.01364 -0.02925 143 6PY 0.00114 -0.01733 -0.01007 0.02343 0.01458 144 6PZ -0.00494 0.01861 -0.01382 -0.00735 -0.00973 145 7D 0 -0.00230 -0.04686 -0.04288 0.04628 -0.07781 146 7D+1 0.02758 -0.01926 -0.01691 0.05828 -0.02847 147 7D-1 0.04641 -0.05141 0.05016 -0.02300 -0.01277 148 7D+2 0.07233 -0.14120 -0.05125 0.15784 -0.16207 149 7D-2 0.09141 0.00324 -0.03387 -0.09576 0.06217 150 8D 0 -0.00208 -0.01612 -0.01632 0.01557 -0.02601 151 8D+1 0.01070 -0.00549 -0.00656 0.01891 -0.00924 152 8D-1 0.01511 -0.01885 0.01894 -0.00841 -0.00387 153 8D+2 0.02433 -0.04850 -0.01718 0.05150 -0.05305 154 8D-2 0.03034 0.00072 -0.01302 -0.03330 0.02237 155 8 Cu 1S -0.00507 -0.00049 -0.00344 0.00188 0.00036 156 2S 0.06200 -0.01479 -0.09873 -0.02460 0.00229 157 3S -0.03931 -0.00582 -0.05864 0.09602 0.09186 158 4PX -0.00409 0.01165 -0.00293 0.00089 -0.00591 159 4PY 0.02285 0.00271 0.00179 -0.00130 -0.00186 160 4PZ 0.00452 -0.00242 -0.00466 0.00492 0.00791 161 5PX -0.00180 -0.01830 0.01742 -0.00489 0.00595 162 5PY 0.01031 -0.00883 -0.02561 0.00045 -0.00557 163 5PZ 0.00334 0.01172 0.05814 -0.03328 -0.03494 164 6PX -0.00864 0.00962 0.00018 -0.00411 -0.00074 165 6PY 0.04280 -0.00547 -0.01564 -0.00204 -0.11748 166 6PZ -0.00167 -0.00011 -0.01348 -0.02759 0.06601 167 7D 0 -0.13192 -0.11120 -0.09392 0.21340 0.11835 168 7D+1 -0.08697 0.33715 -0.14238 -0.02059 -0.39079 169 7D-1 0.34175 0.13984 0.27347 0.18862 0.12279 170 7D+2 -0.13642 0.11497 -0.00401 0.19851 0.10704 171 7D-2 -0.00294 -0.10979 0.07096 0.11638 0.03234 172 8D 0 -0.04425 -0.03787 -0.03346 0.07200 0.04019 173 8D+1 -0.02924 0.11397 -0.04836 -0.00677 -0.12918 174 8D-1 0.11421 0.04763 0.09160 0.06469 0.04057 175 8D+2 -0.04473 0.04001 -0.00208 0.06471 0.03548 176 8D-2 -0.00060 -0.04000 0.02403 0.03845 0.01274 177 9 C 1S 0.02389 -0.00014 -0.00036 -0.01774 0.00037 178 2S -0.06217 0.00035 0.00090 0.03608 -0.00078 179 3S -0.00880 0.00011 0.00041 0.05473 -0.00106 180 4PX 0.01869 -0.00702 0.00016 -0.01314 -0.00470 181 4PY -0.07721 -0.00122 -0.00030 0.05404 -0.00305 182 4PZ 0.01788 -0.00010 -0.00713 -0.01221 -0.00290 183 5PX -0.00528 -0.01651 0.00094 -0.00251 0.00394 184 5PY 0.02132 -0.00413 -0.00352 0.01114 0.00114 185 5PZ -0.00507 -0.00006 -0.01640 -0.00182 0.00224 186 10 O 1S -0.00290 0.00003 0.00006 0.00352 -0.00007 187 2S 0.00964 -0.00008 -0.00022 -0.01182 0.00025 188 3S 0.00379 -0.00005 0.00003 -0.00721 0.00007 189 4PX -0.01064 0.02092 -0.00109 0.01136 0.01013 190 4PY 0.04502 0.00472 0.00358 -0.04679 0.00501 191 4PZ -0.01061 0.00012 0.02100 0.01020 0.00649 192 5PX -0.00136 0.01618 -0.00094 0.00320 0.00399 193 5PY 0.00617 0.00387 0.00324 -0.01344 0.00188 194 5PZ -0.00155 0.00008 0.01613 0.00259 0.00266 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29868 -0.28733 -0.28726 -0.28428 -0.27714 1 1 Cu 1S -0.00003 -0.00001 -0.00004 0.00020 -0.00002 2 2S 0.00091 -0.00003 0.00050 0.00933 -0.00031 3 3S -0.00079 -0.00230 -0.00695 -0.21020 0.00053 4 4PX 0.00087 0.02379 -0.00126 0.00314 -0.00141 5 4PY 0.00028 0.00580 0.00514 -0.01374 0.00009 6 4PZ -0.00169 0.00004 0.02414 0.00256 0.00067 7 5PX -0.00203 -0.10866 0.00652 0.01930 0.00837 8 5PY -0.00130 -0.02733 -0.02541 -0.07350 0.00132 9 5PZ 0.00472 -0.00021 -0.10976 0.01984 -0.00456 10 6PX -0.05403 0.13156 -0.00906 -0.01295 0.00083 11 6PY 0.00455 0.03140 0.02433 0.06459 -0.00213 12 6PZ 0.08644 0.00247 0.13162 -0.00906 -0.00006 13 7D 0 -0.04550 -0.02968 -0.15709 -0.05464 -0.00053 14 7D+1 -0.12110 0.01686 -0.08883 0.01327 0.01373 15 7D-1 -0.10616 -0.00416 0.21224 -0.05140 0.01156 16 7D+2 0.05403 -0.11037 -0.01250 -0.09522 0.00475 17 7D-2 0.03790 0.25268 -0.01429 -0.05153 -0.00855 18 8D 0 -0.01370 -0.00809 -0.04597 -0.01816 -0.00017 19 8D+1 -0.03708 0.00270 -0.02610 0.00434 0.00413 20 8D-1 -0.03307 -0.00162 0.06567 -0.01693 0.00358 21 8D+2 0.01653 -0.03410 -0.00516 -0.03152 0.00153 22 8D-2 0.01204 0.07651 -0.00477 -0.01700 -0.00269 23 2 Cu 1S 0.00084 0.00298 -0.00246 -0.00259 0.00011 24 2S -0.03152 -0.04474 0.03679 0.01681 -0.00333 25 3S -0.07331 0.06183 -0.04559 0.03316 -0.00012 26 4PX -0.00553 -0.00400 0.00710 0.00103 -0.00239 27 4PY 0.00716 0.00239 0.00013 -0.00194 -0.00030 28 4PZ -0.00061 0.00630 -0.00006 -0.00012 -0.00332 29 5PX 0.01612 -0.01085 -0.00148 -0.00927 0.00839 30 5PY -0.00733 -0.00039 -0.00447 -0.00384 0.00538 31 5PZ 0.00013 -0.00232 -0.01051 0.00846 0.01096 32 6PX -0.01905 -0.00559 -0.01246 -0.00737 -0.00904 33 6PY -0.02451 0.03736 -0.03855 -0.02276 -0.00347 34 6PZ 0.01212 -0.03024 0.00083 0.01376 -0.01433 35 7D 0 0.08964 -0.02319 -0.07256 0.01425 0.05055 36 7D+1 -0.02123 0.08980 0.00382 0.04786 -0.10047 37 7D-1 -0.01976 -0.02700 -0.08384 0.04598 0.16649 38 7D+2 0.04380 0.06542 0.06870 0.01351 -0.12100 39 7D-2 0.15165 0.01000 -0.02388 -0.00890 0.08003 40 8D 0 0.02971 -0.00699 -0.02482 0.00488 0.01759 41 8D+1 -0.00649 0.03022 0.00229 0.01595 -0.03496 42 8D-1 -0.00664 -0.00908 -0.03011 0.01683 0.05812 43 8D+2 0.01269 0.02437 0.02268 0.00579 -0.04250 44 8D-2 0.05105 0.00305 -0.00903 -0.00372 0.02759 45 3 Cu 1S 0.00063 -0.00060 0.00042 -0.00448 0.00017 46 2S 0.00195 -0.04408 0.03806 0.12854 -0.00079 47 3S 0.14012 -0.10697 0.08965 0.10736 0.01052 48 4PX 0.01051 0.00127 0.00204 0.01104 -0.00101 49 4PY -0.00144 -0.00355 0.00439 0.00061 -0.00316 50 4PZ -0.00287 0.00355 0.00071 -0.00851 -0.00368 51 5PX -0.04436 0.02247 -0.01135 -0.02542 0.00422 52 5PY -0.00278 0.00441 0.00122 -0.01414 0.01713 53 5PZ 0.02828 -0.00897 0.01906 0.02429 0.02178 54 6PX 0.09214 -0.07071 0.07476 -0.00008 0.00021 55 6PY -0.16774 0.11997 -0.08513 0.00180 0.00141 56 6PZ 0.01909 0.02741 0.00657 -0.00183 0.00635 57 7D 0 0.06788 -0.18708 -0.30314 0.16724 0.04344 58 7D+1 0.03911 -0.03478 -0.07110 0.33319 0.16329 59 7D-1 -0.03308 0.19973 0.22894 0.17770 -0.31584 60 7D+2 0.27450 -0.03001 -0.10159 0.09601 0.18670 61 7D-2 0.31161 0.23722 0.21687 0.11586 -0.15709 62 8D 0 0.02337 -0.06039 -0.09814 0.05489 0.01298 63 8D+1 0.01229 -0.01109 -0.02552 0.11196 0.05335 64 8D-1 -0.01079 0.06823 0.07582 0.05784 -0.10282 65 8D+2 0.09280 -0.01120 -0.03540 0.02960 0.06115 66 8D-2 0.10290 0.07725 0.07224 0.03852 -0.05058 67 4 Cu 1S -0.00004 0.00070 0.00021 -0.00450 0.00001 68 2S -0.00057 0.05419 0.02291 0.12816 -0.00200 69 3S -0.02082 0.13012 0.05217 0.10661 -0.00738 70 4PX -0.00241 -0.00230 -0.00272 -0.01235 -0.00098 71 4PY 0.00182 0.00429 0.00214 -0.00427 0.00226 72 4PZ 0.00900 -0.00294 0.00255 -0.00482 0.00415 73 5PX -0.00201 0.02751 0.00692 0.03489 0.00494 74 5PY -0.00367 0.00714 0.00494 -0.00167 -0.01168 75 5PZ -0.01451 0.00652 0.01374 0.01451 -0.02191 76 6PX -0.01689 -0.02990 -0.02070 -0.00185 0.00083 77 6PY 0.03512 -0.16755 -0.05345 0.00027 -0.00010 78 6PZ 0.03736 -0.00547 0.02513 -0.00180 -0.00474 79 7D 0 -0.27041 0.06635 -0.30879 0.32912 -0.09601 80 7D+1 -0.29648 0.10270 -0.22694 -0.27521 0.00935 81 7D-1 -0.19050 -0.14080 0.32141 0.07503 0.38896 82 7D+2 0.12033 -0.09127 0.07458 0.05088 -0.03057 83 7D-2 0.04126 0.07598 -0.18530 -0.01738 -0.14268 84 8D 0 -0.08851 0.02069 -0.10088 0.10911 -0.03043 85 8D+1 -0.09751 0.03470 -0.07235 -0.09176 0.00394 86 8D-1 -0.06504 -0.04792 0.10824 0.02375 0.12677 87 8D+2 0.03946 -0.02834 0.02387 0.01529 -0.01043 88 8D-2 0.01436 0.02442 -0.06232 -0.00791 -0.04630 89 5 Cu 1S -0.00067 0.00055 0.00381 -0.00271 0.00002 90 2S 0.02617 -0.00822 -0.05680 0.01843 0.00129 91 3S 0.06180 0.01440 0.07715 0.02961 -0.00035 92 4PX 0.00419 0.00484 -0.00208 0.00069 0.00385 93 4PY -0.00493 0.00104 -0.00002 -0.00177 0.00041 94 4PZ 0.00392 -0.00202 -0.00888 0.00145 -0.00052 95 5PX -0.01500 -0.01307 0.00050 -0.00082 -0.01490 96 5PY 0.00349 -0.00223 0.00093 -0.00608 -0.00347 97 5PZ -0.00982 -0.00006 -0.00981 -0.01088 0.00243 98 6PX 0.01350 -0.02416 -0.00663 0.00360 0.01750 99 6PY 0.02622 0.00509 0.05714 -0.02379 0.00362 100 6PZ 0.01320 0.00533 0.00687 -0.00922 -0.00256 101 7D 0 -0.01095 -0.04066 -0.04352 -0.01913 -0.04491 102 7D+1 0.06425 0.12697 -0.03954 -0.00292 0.14596 103 7D-1 -0.11275 0.03456 -0.01325 -0.03673 0.05270 104 7D+2 -0.03292 0.05459 0.05283 0.05343 0.08627 105 7D-2 -0.06712 -0.05310 0.03427 0.01394 -0.17217 106 8D 0 -0.00265 -0.01363 -0.01289 -0.00538 -0.01573 107 8D+1 0.02258 0.04359 -0.01339 -0.00061 0.05125 108 8D-1 -0.03717 0.01210 -0.00415 -0.01336 0.01859 109 8D+2 -0.00976 0.01958 0.01948 0.01917 0.03014 110 8D-2 -0.02326 -0.01958 0.01268 0.00499 -0.05983 111 6 Cu 1S -0.00002 -0.00004 -0.00011 -0.00565 0.00008 112 2S -0.00139 0.00011 0.00024 0.06889 -0.00157 113 3S -0.00309 -0.00290 -0.00764 -0.10719 -0.00001 114 4PX 0.00207 -0.00083 0.00002 -0.00171 -0.00049 115 4PY -0.00028 -0.00019 -0.00017 0.00700 -0.00022 116 4PZ -0.00282 0.00002 -0.00089 -0.00155 0.00032 117 5PX -0.01050 0.02349 -0.00146 -0.00581 -0.00115 118 5PY 0.00171 0.00626 0.00663 0.02332 -0.00035 119 5PZ 0.01513 -0.00021 0.02392 -0.00581 0.00066 120 6PX 0.04984 -0.05529 0.00384 -0.00551 0.00014 121 6PY -0.00487 -0.01355 -0.01059 0.02179 -0.00030 122 6PZ -0.07961 -0.00091 -0.05382 -0.00513 0.00019 123 7D 0 0.12289 -0.09959 -0.20178 0.01517 -0.00404 124 7D+1 0.16327 0.23386 -0.10204 -0.00111 -0.01892 125 7D-1 -0.01778 0.03287 -0.06776 0.00904 0.00732 126 7D+2 -0.08054 0.02569 0.12176 0.00698 0.01157 127 7D-2 0.06304 0.08581 0.03289 0.00421 -0.02450 128 8D 0 0.04125 -0.03473 -0.06898 0.00609 -0.00137 129 8D+1 0.05602 0.08242 -0.03477 -0.00058 -0.00633 130 8D-1 -0.00318 0.01167 -0.02711 0.00391 0.00244 131 8D+2 -0.02759 0.01076 0.04325 0.00391 0.00385 132 8D-2 0.01973 0.02650 0.01188 0.00225 -0.00821 133 7 Cu 1S -0.00012 -0.00359 -0.00147 -0.00255 -0.00001 134 2S 0.00512 0.05365 0.02210 0.01648 0.00245 135 3S 0.01171 -0.07273 -0.02277 0.03503 -0.00042 136 4PX 0.00139 -0.00596 -0.00473 -0.00018 -0.00141 137 4PY -0.00173 -0.00475 -0.00141 -0.00216 -0.00024 138 4PZ -0.00360 -0.00426 0.00334 0.00025 0.00384 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0.01070 -0.00022 178 2S 0.00064 -0.00006 0.00005 -0.01704 0.00033 179 3S 0.00076 -0.00030 -0.00024 -0.07243 0.00145 180 4PX -0.00367 -0.03171 0.00162 0.00730 0.00154 181 4PY 0.00129 -0.00782 -0.00695 -0.02896 0.00078 182 4PZ 0.00505 0.00001 -0.03218 0.00737 -0.00104 183 5PX 0.00245 -0.00757 0.00045 0.01073 -0.00113 184 5PY -0.00008 -0.00206 -0.00226 -0.04418 0.00039 185 5PZ -0.00391 0.00005 -0.00794 0.01000 0.00044 186 10 O 1S 0.00006 0.00000 0.00001 -0.00165 0.00005 187 2S -0.00022 0.00001 0.00001 0.00717 -0.00014 188 3S -0.00007 -0.00005 -0.00022 -0.00504 -0.00016 189 4PX 0.00737 0.06200 -0.00318 -0.00563 -0.00221 190 4PY -0.00161 0.01515 0.01364 0.02122 -0.00074 191 4PZ -0.01093 0.00004 0.06295 -0.00623 0.00135 192 5PX 0.00291 0.03238 -0.00165 -0.00241 -0.00087 193 5PY -0.00052 0.00794 0.00723 0.00888 -0.00027 194 5PZ -0.00438 0.00000 0.03296 -0.00272 0.00052 56 57 58 59 60 O O O O O EIGENVALUES -- -0.27669 -0.27656 -0.27108 -0.27097 -0.26925 1 1 Cu 1S 0.00001 0.00000 0.00001 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22 8D-2 -0.01310 -0.03213 -0.00275 -0.00363 0.00714 23 2 Cu 1S 0.00042 0.00055 0.00069 -0.00096 -0.00016 24 2S -0.02010 -0.02240 -0.01344 0.01761 0.02875 25 3S 0.00561 0.00722 0.02398 -0.03465 0.00827 26 4PX 0.00020 -0.00039 -0.00269 0.00138 0.00146 27 4PY 0.00622 0.00648 -0.00002 -0.00111 -0.00330 28 4PZ -0.00168 -0.00249 -0.00037 -0.00246 0.00018 29 5PX 0.00068 -0.00591 0.00159 0.00065 -0.00146 30 5PY 0.00688 0.00426 0.00505 -0.00537 -0.00078 31 5PZ 0.00309 -0.00550 -0.00075 0.00359 0.00149 32 6PX 0.00649 0.01204 -0.00120 -0.00788 -0.00177 33 6PY 0.01082 0.01546 0.00761 -0.01424 0.00179 34 6PZ -0.01324 -0.00841 -0.01271 0.00287 0.00063 35 7D 0 0.02666 0.12731 0.02294 0.00895 -0.06400 36 7D+1 -0.05361 -0.04407 -0.05166 -0.05137 0.04084 37 7D-1 0.09578 0.04077 0.05461 0.13667 -0.07443 38 7D+2 0.16882 0.19778 -0.11516 -0.02403 -0.14628 39 7D-2 0.08971 0.02143 0.08245 -0.01639 -0.03608 40 8D 0 0.00956 0.04182 0.00757 0.00317 -0.02167 41 8D+1 -0.01841 -0.01423 -0.01796 -0.01675 0.01391 42 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-0.01282 -0.05167 0.03629 -0.10551 -0.00110 103 7D-1 -0.09342 0.01795 -0.06989 -0.04702 -0.04200 104 7D+2 -0.20306 0.06580 0.06078 -0.06351 -0.12770 105 7D-2 -0.10821 -0.04365 -0.00674 0.12695 -0.05956 106 8D 0 -0.06273 0.01799 0.01888 0.01222 -0.03826 107 8D+1 -0.00454 -0.01582 0.01208 -0.03565 -0.00048 108 8D-1 -0.02957 0.00601 -0.02391 -0.01596 -0.01394 109 8D+2 -0.06919 0.02266 0.02122 -0.02145 -0.04349 110 8D-2 -0.03647 -0.01483 -0.00208 0.04308 -0.02022 111 6 Cu 1S -0.00002 0.00000 -0.00003 -0.00001 0.00054 112 2S 0.00059 -0.00008 -0.00020 -0.00021 0.05653 113 3S 0.00078 -0.00042 -0.00187 -0.00099 0.15388 114 4PX -0.00070 -0.00600 -0.00003 0.00155 -0.00295 115 4PY 0.00126 -0.00156 0.00025 0.00032 0.01206 116 4PZ 0.00609 -0.00039 0.00149 -0.00002 -0.00273 117 5PX -0.00113 -0.01131 0.00012 -0.00396 0.01888 118 5PY 0.00217 -0.00282 0.00015 -0.00052 -0.07708 119 5PZ 0.01119 -0.00062 -0.00378 -0.00033 0.01763 120 6PX -0.00156 -0.01289 -0.00068 0.03654 0.01021 121 6PY 0.00236 -0.00331 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0.00676 0.00442 0.00103 -0.00305 0.00098 142 6PX -0.00401 0.02311 -0.00146 -0.01493 0.00113 143 6PY 0.00241 -0.01070 0.00410 0.01117 0.00253 144 6PZ -0.00871 0.00784 -0.01118 -0.00240 0.00013 145 7D 0 -0.02408 -0.10804 -0.00196 0.00224 -0.05483 146 7D+1 -0.03982 -0.01428 0.04202 0.00781 0.00521 147 7D-1 0.08788 -0.07514 0.13976 -0.10462 -0.06912 148 7D+2 0.08983 -0.20867 -0.01497 0.03157 -0.12044 149 7D-2 0.01789 -0.17358 -0.10498 -0.05875 -0.10956 150 8D 0 -0.00748 -0.03607 -0.00097 0.00018 -0.01858 151 8D+1 -0.01265 -0.00379 0.01444 0.00327 0.00186 152 8D-1 0.03110 -0.02547 0.04736 -0.03552 -0.02361 153 8D+2 0.02929 -0.06966 -0.00502 0.01082 -0.04077 154 8D-2 0.00618 -0.06048 -0.03554 -0.01980 -0.03756 155 8 Cu 1S -0.00089 0.00019 -0.00121 -0.00015 0.00040 156 2S -0.01065 0.00224 0.01523 0.00130 0.04510 157 3S -0.11797 0.02621 0.02779 0.00068 -0.02050 158 4PX -0.00658 -0.00145 -0.00044 -0.01114 -0.00108 159 4PY 0.01411 -0.00367 0.01117 -0.00125 -0.00028 160 4PZ -0.01925 0.00467 0.00276 0.00221 -0.00761 161 5PX 0.03156 -0.01856 0.00231 0.04360 0.00860 162 5PY -0.07351 0.01346 -0.05142 0.00447 -0.01228 163 5PZ 0.11959 -0.02455 -0.01681 -0.00920 0.04043 164 6PX 0.01101 -0.01108 0.02592 0.01334 0.00025 165 6PY -0.01963 0.00351 -0.09658 -0.00960 -0.00054 166 6PZ 0.05607 -0.01193 0.04856 0.00539 0.00043 167 7D 0 0.46645 -0.08752 -0.26551 -0.05363 0.11481 168 7D+1 0.12215 -0.08546 -0.08315 0.07897 0.02710 169 7D-1 -0.12130 0.00394 -0.29332 0.00434 -0.01312 170 7D+2 0.13418 -0.06625 0.36096 0.09985 0.03838 171 7D-2 0.03871 0.05202 0.12599 -0.08769 0.01125 172 8D 0 0.15190 -0.02837 -0.08346 -0.01662 0.03567 173 8D+1 0.03970 -0.02830 -0.02599 0.02421 0.00859 174 8D-1 -0.04008 0.00136 -0.09382 0.00094 -0.00400 175 8D+2 0.04438 -0.02168 0.11519 0.03121 0.01077 176 8D-2 0.01276 0.01658 0.03998 -0.02690 0.00297 177 9 C 1S 0.00012 -0.00005 0.00008 0.00003 -0.00171 178 2S -0.00025 0.00010 -0.00010 -0.00004 0.00046 179 3S -0.00039 0.00025 -0.00059 -0.00025 0.01568 180 4PX 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0.00890 -0.01249 -0.00019 5 4PY -0.00253 0.00235 0.00473 -0.00099 0.00001 6 4PZ -0.00022 0.01095 0.01158 0.00927 0.00009 7 5PX 0.06871 0.00445 -0.04003 0.05666 0.00057 8 5PY 0.01681 -0.01497 -0.02155 0.00450 0.00004 9 5PZ 0.00087 -0.07298 -0.05226 -0.04164 -0.00032 10 6PX -0.08733 -0.00319 -0.04566 0.06597 -0.00102 11 6PY -0.02135 0.01921 -0.02492 0.00461 -0.00008 12 6PZ 0.00153 0.08887 -0.06959 -0.05371 0.00036 13 7D 0 -0.00222 -0.00712 0.01719 -0.02524 -0.00023 14 7D+1 0.01364 -0.00547 -0.07381 0.08288 0.00119 15 7D-1 0.00145 0.03775 0.13163 0.12793 0.00049 16 7D+2 0.01616 -0.01021 -0.11438 0.02690 0.00010 17 7D-2 -0.02689 -0.00575 0.06015 -0.12350 -0.00089 18 8D 0 -0.00081 -0.00219 0.00495 -0.00785 -0.00008 19 8D+1 0.00451 -0.00167 -0.02264 0.02516 0.00035 20 8D-1 0.00051 0.01216 0.04039 0.03923 0.00016 21 8D+2 0.00524 -0.00334 -0.03500 0.00836 0.00004 22 8D-2 -0.00867 -0.00182 0.01860 -0.03804 -0.00030 23 2 Cu 1S 0.00013 -0.00010 -0.00002 -0.00363 -0.00004 24 2S -0.00165 0.00077 -0.00032 0.03362 0.00056 25 3S -0.00966 -0.01689 -0.00122 -0.15672 -0.00044 26 4PX -0.00075 0.00103 0.00004 0.00361 0.00061 27 4PY 0.00084 0.00134 0.00007 -0.00068 0.00028 28 4PZ -0.00132 0.00062 0.00010 -0.00253 0.00071 29 5PX 0.00587 0.00714 0.00304 0.03162 0.00277 30 5PY 0.00553 0.00322 0.00139 -0.03322 0.00137 31 5PZ -0.00739 -0.00573 0.00386 -0.01046 0.00381 32 6PX -0.01558 -0.00960 0.00761 0.02942 0.00422 33 6PY -0.02159 -0.01735 0.00500 -0.00046 0.00167 34 6PZ 0.01835 0.01623 0.00913 -0.02257 0.00602 35 7D 0 0.07578 -0.02555 -0.09902 -0.13006 0.09719 36 7D+1 -0.10663 0.00644 -0.02216 -0.12316 0.05043 37 7D-1 0.01545 -0.13730 0.08263 0.11590 -0.13637 38 7D+2 -0.04906 0.11642 -0.02683 0.02557 0.06772 39 7D-2 0.11606 0.03264 0.08657 -0.27419 -0.11695 40 8D 0 0.02477 -0.00774 -0.03303 -0.04374 0.03387 41 8D+1 -0.03584 0.00228 -0.00789 -0.04180 0.01632 42 8D-1 0.00530 -0.04673 0.02852 0.03932 -0.04514 43 8D+2 -0.01670 0.03896 -0.00969 0.00911 0.02175 44 8D-2 0.03966 0.01048 0.02941 -0.09241 -0.03949 45 3 Cu 1S -0.00043 -0.00036 0.00000 -0.00032 -0.00001 46 2S -0.00847 -0.00782 0.00025 0.00959 0.00084 47 3S -0.09839 -0.07710 0.00106 0.03483 -0.00028 48 4PX -0.00078 0.00349 -0.00215 -0.00834 0.00724 49 4PY -0.00678 -0.00176 -0.00130 0.01853 0.00400 50 4PZ -0.00195 0.00457 -0.00296 -0.00155 0.00982 51 5PX 0.01893 -0.00723 0.01162 0.04574 -0.04073 52 5PY 0.03697 0.01123 0.00610 -0.08941 -0.02232 53 5PZ -0.00116 -0.03349 0.01573 0.00367 -0.05517 54 6PX 0.08075 0.05096 0.00267 -0.01663 -0.02407 55 6PY -0.06332 -0.06194 0.00535 -0.00258 -0.01430 56 6PZ -0.01833 -0.03461 0.00705 0.01539 -0.03381 57 7D 0 -0.06983 -0.00056 -0.08708 -0.10638 0.38902 58 7D+1 -0.20721 -0.23340 0.04552 -0.05007 -0.04743 59 7D-1 -0.22726 -0.06925 -0.04744 -0.15760 -0.07311 60 7D+2 0.03409 -0.09140 0.07047 -0.18298 -0.09718 61 7D-2 0.03163 0.05360 0.01255 -0.04625 -0.20534 62 8D 0 -0.02239 0.00098 -0.02741 -0.03412 0.12453 63 8D+1 -0.06661 -0.07437 0.01537 -0.01514 -0.01609 64 8D-1 -0.07119 -0.02252 -0.01682 -0.05132 -0.02171 65 8D+2 0.01164 -0.02785 0.02364 -0.05980 -0.03244 66 8D-2 0.01102 0.01652 0.00296 -0.01417 -0.06481 67 4 Cu 1S 0.00052 -0.00016 -0.00029 0.00017 -0.00001 68 2S 0.01119 -0.00526 0.00870 -0.00454 -0.00041 69 3S 0.11696 -0.04431 0.03038 -0.01439 -0.00100 70 4PX -0.00229 -0.00169 0.00036 0.00151 0.00503 71 4PY 0.00646 -0.00165 0.01725 -0.01038 -0.00149 72 4PZ 0.00079 0.00594 -0.00410 -0.00178 -0.01169 73 5PX 0.03189 0.00155 -0.00724 -0.00463 -0.02851 74 5PY -0.02840 0.00661 -0.08571 0.05090 0.00798 75 5PZ 0.00374 -0.03450 0.01864 0.01129 0.06570 76 6PX 0.05716 -0.01456 0.01502 -0.01198 -0.01684 77 6PY 0.10947 -0.04737 0.00309 -0.00209 0.00580 78 6PZ 0.00493 -0.02212 0.01170 0.00265 0.04003 79 7D 0 0.20766 -0.06817 -0.15034 0.03309 -0.29672 80 7D+1 -0.24371 0.15210 0.04080 -0.12135 -0.30301 81 7D-1 0.10733 0.08799 -0.13337 -0.00736 0.04097 82 7D+2 -0.13053 0.01199 -0.08285 0.09818 0.15901 83 7D-2 0.04173 -0.06934 -0.10182 0.08867 -0.06486 84 8D 0 0.06605 -0.02064 -0.04762 0.01100 -0.09466 85 8D+1 -0.07745 0.04907 0.01296 -0.03860 -0.09724 86 8D-1 0.03311 0.02700 -0.04440 -0.00378 0.01086 87 8D+2 -0.04281 0.00409 -0.02683 0.03167 0.05118 88 8D-2 0.01261 -0.02104 -0.03350 0.03002 -0.01980 89 5 Cu 1S -0.00003 0.00008 0.00309 0.00180 0.00003 90 2S 0.00036 -0.00067 -0.02852 -0.01671 -0.00031 91 3S -0.00309 0.02120 0.13545 0.07973 0.00105 92 4PX -0.00180 -0.00002 -0.00040 -0.00042 -0.00093 93 4PY -0.00015 -0.00156 -0.00010 -0.00010 -0.00017 94 4PZ 0.00035 -0.00031 -0.00373 -0.00216 0.00010 95 5PX -0.00078 -0.00032 -0.00713 -0.00989 -0.00491 96 5PY 0.00104 -0.00808 0.02508 0.01347 -0.00087 97 5PZ 0.00179 -0.01209 -0.03170 -0.01761 0.00060 98 6PX -0.00163 -0.00418 0.00280 -0.01221 -0.00722 99 6PY -0.00470 0.03375 -0.00620 -0.00627 -0.00121 100 6PZ -0.00307 0.02357 -0.03318 -0.01700 0.00108 101 7D 0 0.04586 -0.04142 -0.16540 -0.08224 0.00099 102 7D+1 -0.14601 -0.00765 -0.07199 -0.09708 0.00707 103 7D-1 -0.02640 -0.15516 0.22335 0.14276 -0.03068 104 7D+2 -0.07003 0.00951 0.02778 0.07872 -0.08292 105 7D-2 0.10686 0.00098 0.12914 -0.09125 0.20306 106 8D 0 0.01521 -0.01368 -0.05608 -0.02813 -0.00012 107 8D+1 -0.04838 -0.00238 -0.02474 -0.03203 0.00407 108 8D-1 -0.00888 -0.05235 0.07509 0.04831 -0.00991 109 8D+2 -0.02396 0.00335 0.00891 0.02669 -0.02752 110 8D-2 0.03708 0.00055 0.04367 -0.03131 0.06809 111 6 Cu 1S -0.00002 0.00005 -0.00001 0.00000 -0.00001 112 2S 0.00068 -0.00153 0.00112 0.00037 0.00038 113 3S 0.00037 -0.00036 0.00312 0.00104 0.00034 114 4PX 0.00340 0.00020 0.00291 -0.00412 -0.00012 115 4PY 0.00093 -0.00092 0.00178 -0.00021 0.00008 116 4PZ -0.00004 -0.00330 0.00402 0.00324 0.00003 117 5PX -0.01565 -0.00039 -0.02991 0.04184 0.00052 118 5PY -0.00402 0.00353 -0.01726 0.00256 -0.00031 119 5PZ 0.00051 0.01386 -0.04062 -0.03267 -0.00015 120 6PX 0.01512 0.00100 -0.01215 0.01568 0.00025 121 6PY 0.00358 -0.00333 -0.00647 0.00079 -0.00020 122 6PZ 0.00029 -0.01705 -0.01496 -0.01302 -0.00004 123 7D 0 -0.18240 0.22896 0.43802 0.16489 0.00157 124 7D+1 0.50614 0.11005 0.03786 0.34311 0.00153 125 7D-1 0.08226 0.49025 -0.25058 -0.17677 0.00004 126 7D+2 0.24566 -0.31105 0.03585 -0.17212 0.00196 127 7D-2 -0.22163 -0.10057 -0.31709 0.38932 0.00404 128 8D 0 -0.05958 0.07439 0.14357 0.05405 0.00051 129 8D+1 0.16549 0.03572 0.01237 0.11250 0.00048 130 8D-1 0.02694 0.16099 -0.08204 -0.05786 0.00001 131 8D+2 0.08071 -0.10178 0.01167 -0.05641 0.00063 132 8D-2 -0.07331 -0.03292 -0.10390 0.12753 0.00130 133 7 Cu 1S -0.00009 0.00002 -0.00316 0.00180 0.00005 134 2S 0.00157 -0.00028 0.02937 -0.01676 -0.00058 135 3S 0.01463 -0.00863 -0.13638 0.07662 0.00146 136 4PX 0.00044 -0.00104 -0.00316 0.00174 0.00043 137 4PY -0.00123 0.00067 -0.00192 0.00111 -0.00003 138 4PZ 0.00106 0.00142 -0.00122 0.00082 -0.00087 139 5PX 0.01178 -0.00554 -0.01603 0.00694 0.00192 140 5PY -0.00216 0.00020 -0.03757 0.02189 -0.00018 141 5PZ 0.00573 -0.00149 -0.00041 0.00571 -0.00444 142 6PX -0.03147 0.01168 -0.02980 0.01107 0.00270 143 6PY 0.01510 -0.00684 -0.01132 0.00819 -0.00024 144 6PZ -0.01505 0.00837 -0.00511 0.01664 -0.00701 145 7D 0 -0.00998 -0.02660 -0.18762 0.00784 -0.09475 146 7D+1 -0.09636 -0.02997 -0.00727 -0.07389 -0.06280 147 7D-1 -0.04933 -0.16212 0.10644 0.05033 0.16913 148 7D+2 -0.10999 0.09450 -0.13980 0.11457 0.02340 149 7D-2 0.07208 0.04380 0.17639 -0.16588 -0.08318 150 8D 0 -0.00299 -0.00810 -0.06316 0.00277 -0.03260 151 8D+1 -0.03218 -0.00930 -0.00223 -0.02465 -0.02215 152 8D-1 -0.01663 -0.05508 0.03657 0.01765 0.05577 153 8D+2 -0.03712 0.03137 -0.04693 0.03821 0.00852 154 8D-2 0.02474 0.01493 0.05966 -0.05649 -0.02766 155 8 Cu 1S -0.00012 0.00061 0.00023 0.00014 -0.00001 156 2S -0.00105 0.00921 -0.00789 -0.00481 -0.00011 157 3S -0.01913 0.12248 -0.03345 -0.02140 -0.00072 158 4PX -0.00590 -0.00238 0.00257 0.00583 -0.01248 159 4PY -0.00199 0.00565 -0.01593 -0.00838 -0.00266 160 4PZ 0.00115 -0.00123 0.00781 0.00383 0.00200 161 5PX 0.03167 0.01044 -0.01210 -0.03000 0.06993 162 5PY 0.01174 -0.03641 0.07611 0.03999 0.01473 163 5PZ -0.00251 -0.01666 -0.04296 -0.02117 -0.01094 164 6PX 0.02471 -0.02843 0.00647 -0.00625 0.04250 165 6PY -0.00650 0.07328 0.00513 0.00286 0.00921 166 6PZ 0.01242 -0.11024 0.02237 0.01363 -0.00710 167 7D 0 -0.00621 -0.16971 0.05100 0.06950 -0.08948 168 7D+1 0.11269 -0.02643 0.04295 -0.11402 0.34546 169 7D-1 0.06390 -0.20418 0.01172 -0.01867 0.02815 170 7D+2 0.01490 0.26389 0.21599 0.08992 -0.06190 171 7D-2 -0.08461 0.06559 0.08749 0.05505 0.27828 172 8D 0 -0.00188 -0.05511 0.01764 0.02320 -0.02899 173 8D+1 0.03617 -0.00839 0.01441 -0.03686 0.11174 174 8D-1 0.02020 -0.06553 0.00357 -0.00662 0.00956 175 8D+2 0.00422 0.08281 0.07021 0.02826 -0.01879 176 8D-2 -0.02523 0.02062 0.02716 0.01955 0.08716 177 9 C 1S 0.00002 -0.00009 0.00011 0.00004 -0.00005 178 2S -0.00004 0.00014 -0.00019 -0.00007 0.00020 179 3S -0.00013 0.00056 -0.00060 -0.00014 0.00000 180 4PX 0.01008 0.00069 -0.01233 0.01766 0.00027 181 4PY 0.00244 -0.00213 -0.00707 0.00122 0.00022 182 4PZ 0.00020 -0.01110 -0.01630 -0.01293 -0.00018 183 5PX 0.00097 -0.00008 -0.00340 0.00495 0.00041 184 5PY 0.00017 -0.00012 -0.00198 0.00040 0.00010 185 5PZ -0.00008 -0.00152 -0.00434 -0.00342 -0.00022 186 10 O 1S 0.00000 0.00002 -0.00002 -0.00001 0.00000 187 2S 0.00001 -0.00006 0.00006 0.00002 -0.00002 188 3S 0.00000 -0.00006 0.00004 0.00002 0.00013 189 4PX -0.01598 -0.00113 0.01999 -0.02847 -0.00062 190 4PY -0.00392 0.00362 0.01109 -0.00207 -0.00014 191 4PZ -0.00029 0.01776 0.02633 0.02085 0.00031 192 5PX -0.00803 -0.00056 0.01134 -0.01616 -0.00044 193 5PY -0.00196 0.00188 0.00622 -0.00122 -0.00006 194 5PZ -0.00013 0.00907 0.01492 0.01179 0.00021 66 67 68 69 70 O O O O O EIGENVALUES -- -0.25591 -0.25590 -0.25345 -0.25241 -0.25175 1 1 Cu 1S 0.00000 0.00000 0.00001 0.00101 -0.00054 2 2S -0.00016 0.00006 0.00007 -0.00142 -0.00383 3 3S 0.00030 0.00056 0.00106 -0.04313 -0.08498 4 4PX 0.00754 0.01991 -0.00065 -0.00093 -0.00181 5 4PY -0.00291 0.00639 -0.00018 0.00359 0.00700 6 4PZ -0.02079 0.00666 0.00015 -0.00096 -0.00175 7 5PX -0.04988 -0.13188 0.00348 0.00752 -0.00018 8 5PY 0.01913 -0.04229 0.00083 -0.02826 0.00607 9 5PZ 0.13769 -0.04388 -0.00058 0.00892 0.00169 10 6PX -0.05086 -0.13526 0.00151 -0.02667 -0.00616 11 6PY 0.01568 -0.04025 0.00059 0.12564 0.03707 12 6PZ 0.13910 -0.04463 0.00003 -0.01059 0.00327 13 7D 0 -0.03916 0.00894 -0.00032 0.00912 0.02868 14 7D+1 -0.01124 0.04113 0.00223 -0.00042 -0.00354 15 7D-1 0.11011 -0.02771 -0.00082 0.00744 0.01978 16 7D+2 -0.00801 0.06283 -0.00214 0.00760 0.04017 17 7D-2 -0.04535 -0.09683 0.00454 0.00534 0.02060 18 8D 0 -0.01198 0.00326 -0.00011 0.00269 0.00870 19 8D+1 -0.00399 0.01081 0.00063 -0.00016 -0.00117 20 8D-1 0.03109 -0.00796 -0.00023 0.00222 0.00621 21 8D+2 -0.00175 0.01763 -0.00060 0.00237 0.01259 22 8D-2 -0.01290 -0.02809 0.00127 0.00162 0.00649 23 2 Cu 1S 0.00169 0.00102 -0.00006 -0.00043 -0.00063 24 2S -0.02716 -0.01757 0.00107 0.01146 -0.01137 25 3S 0.11428 0.07578 -0.00062 0.12448 -0.00058 26 4PX -0.00195 -0.00189 0.00166 0.00297 -0.00330 27 4PY 0.00244 0.00124 0.00071 -0.00243 0.00334 28 4PZ 0.00120 -0.00014 0.00196 -0.00125 0.00148 29 5PX -0.03492 -0.00755 -0.00624 -0.03237 0.00862 30 5PY -0.01744 -0.00264 -0.00236 0.03174 -0.01888 31 5PZ 0.01674 0.03175 -0.00850 0.01095 -0.00099 32 6PX -0.01276 0.01742 -0.01176 -0.03133 0.00392 33 6PY -0.02629 -0.00435 -0.00603 -0.01949 -0.02144 34 6PZ -0.00726 0.03059 -0.01469 0.02832 0.00271 35 7D 0 0.26515 -0.36625 0.42139 0.22382 -0.01952 36 7D+1 0.20201 0.21122 -0.09200 0.27269 -0.02930 37 7D-1 0.16510 0.17161 -0.01607 0.13343 0.30580 38 7D+2 -0.06424 0.11997 -0.16351 0.15276 0.19020 39 7D-2 -0.23397 0.11702 -0.17842 0.21745 -0.24668 40 8D 0 0.08702 -0.11967 0.14093 0.07509 -0.00715 41 8D+1 0.06556 0.06825 -0.03059 0.09015 -0.01035 42 8D-1 0.05398 0.05712 -0.00556 0.04454 0.10124 43 8D+2 -0.01971 0.03938 -0.05447 0.05201 0.06282 44 8D-2 -0.07691 0.03855 -0.05984 0.07326 -0.08253 45 3 Cu 1S 0.00138 0.00089 -0.00007 -0.00208 -0.00038 46 2S -0.00496 -0.00327 0.00063 0.01541 -0.04944 47 3S 0.08611 0.05538 -0.00433 -0.11048 0.02033 48 4PX 0.00087 0.00215 -0.00156 0.01171 -0.00546 49 4PY -0.00268 -0.00106 -0.00094 -0.01636 0.01204 50 4PZ -0.00123 0.00121 -0.00208 -0.00180 -0.00143 51 5PX -0.01583 -0.01627 0.00976 -0.03840 0.00653 52 5PY -0.00416 -0.00523 0.00628 0.05522 -0.03362 53 5PZ 0.01987 0.00534 0.01231 0.00494 0.01037 54 6PX -0.01012 -0.00338 -0.00554 0.02536 -0.00386 55 6PY 0.01774 0.01419 -0.00473 0.00768 -0.00124 56 6PZ -0.00288 0.00009 -0.01028 -0.02270 0.00333 57 7D 0 -0.06250 0.05897 -0.09084 -0.05619 0.02390 58 7D+1 -0.03781 -0.00166 -0.00830 -0.03486 -0.07620 59 7D-1 -0.04499 -0.11164 0.05667 -0.02158 0.08613 60 7D+2 -0.07603 -0.02319 -0.01002 -0.04374 0.13011 61 7D-2 0.07689 -0.03781 0.06825 -0.07144 -0.01194 62 8D 0 -0.01924 0.01863 -0.02727 -0.01882 0.00754 63 8D+1 -0.01096 0.00044 -0.00249 -0.01039 -0.02270 64 8D-1 -0.01525 -0.03639 0.01701 -0.00735 0.02817 65 8D+2 -0.02561 -0.00790 -0.00293 -0.01573 0.04144 66 8D-2 0.02570 -0.01108 0.02044 -0.02362 -0.00418 67 4 Cu 1S 0.00011 -0.00166 0.00004 -0.00210 -0.00037 68 2S -0.00019 0.00584 0.00003 0.01522 -0.04939 69 3S 0.00618 -0.10238 0.00294 -0.11025 0.02173 70 4PX 0.00089 0.00071 -0.00112 -0.00435 -0.00043 71 4PY -0.00041 0.00324 0.00011 -0.01973 0.01315 72 4PZ -0.00203 -0.00013 0.00255 0.00063 -0.00189 73 5PX -0.00176 -0.02738 0.00723 0.01379 0.01075 74 5PY 0.00136 -0.00346 -0.00184 0.06647 -0.03340 75 5PZ 0.00850 -0.01164 -0.01520 -0.00290 0.00863 76 6PX 0.00207 -0.00005 -0.00431 -0.03160 0.00456 77 6PY 0.00347 -0.02536 0.00207 -0.00586 -0.00033 78 6PZ -0.00318 0.00317 0.01130 -0.01503 0.00241 79 7D 0 -0.07740 0.04063 0.07578 -0.07424 0.00832 80 7D+1 -0.05272 -0.06341 0.06625 0.02977 0.01211 81 7D-1 0.07729 0.05988 -0.06362 -0.02146 0.07447 82 7D+2 0.02668 -0.00230 -0.03001 -0.06987 0.07500 83 7D-2 -0.05278 0.09683 0.03688 0.01567 0.13206 84 8D 0 -0.02426 0.01208 0.02274 -0.02431 0.00340 85 8D+1 -0.01640 -0.01981 0.01993 0.00922 0.00246 86 8D-1 0.02489 0.02005 -0.01909 -0.00747 0.02375 87 8D+2 0.00826 -0.00082 -0.00905 -0.02415 0.02313 88 8D-2 -0.01703 0.03334 0.01095 0.00400 0.04219 89 5 Cu 1S -0.00174 0.00081 0.00001 -0.00051 -0.00071 90 2S 0.02873 -0.01410 -0.00006 0.01244 -0.01137 91 3S -0.12720 0.06066 -0.00069 0.12117 -0.00312 92 4PX 0.00033 -0.00138 -0.00254 0.00089 -0.00111 93 4PY -0.00216 0.00082 -0.00055 -0.00207 0.00256 94 4PZ 0.00272 -0.00115 0.00037 0.00353 -0.00434 95 5PX 0.01108 0.01981 0.00957 -0.01086 0.00476 96 5PY 0.02393 -0.00648 0.00201 0.02813 -0.01544 97 5PZ 0.03787 -0.02187 -0.00120 -0.03587 0.01261 98 6PX 0.01209 0.03665 0.01795 -0.00103 0.00409 99 6PY 0.02802 -0.00519 0.00400 -0.01945 -0.01684 100 6PZ 0.00185 -0.00717 -0.00248 -0.03662 0.00581 101 7D 0 0.09362 -0.16874 -0.10454 -0.15144 0.24425 102 7D+1 0.21186 0.39439 0.40998 -0.11942 0.09216 103 7D-1 0.27609 -0.08069 0.05776 0.09995 -0.32191 104 7D+2 -0.23622 0.05002 -0.02779 0.39253 0.23542 105 7D-2 0.07939 0.29752 0.21150 0.17956 0.05875 106 8D 0 0.02942 -0.05449 -0.03496 -0.04960 0.08136 107 8D+1 0.06894 0.12880 0.13708 -0.03986 0.03095 108 8D-1 0.09014 -0.02658 0.01928 0.03426 -0.10736 109 8D+2 -0.07805 0.01622 -0.00943 0.13138 0.07717 110 8D-2 0.02616 0.09836 0.07105 0.06023 0.01901 111 6 Cu 1S 0.00003 -0.00003 0.00001 -0.00232 -0.00021 112 2S -0.00045 0.00053 0.00100 0.11615 -0.10325 113 3S -0.00138 0.00127 0.00104 0.06880 -0.05462 114 4PX 0.00035 0.00098 -0.00007 -0.00314 0.00127 115 4PY -0.00022 0.00039 0.00005 0.01297 -0.00526 116 4PZ -0.00108 0.00032 0.00000 -0.00277 0.00129 117 5PX -0.00225 -0.00659 0.00024 0.00338 -0.00142 118 5PY 0.00112 -0.00214 -0.00010 -0.01382 0.00503 119 5PZ 0.00729 -0.00223 0.00003 0.00238 -0.00228 120 6PX -0.00461 -0.01421 0.00025 0.00247 0.00025 121 6PY 0.00199 -0.00427 0.00007 -0.01198 -0.00282 122 6PZ 0.01456 -0.00414 -0.00007 0.00131 -0.00074 123 7D 0 0.03085 -0.04549 0.00020 0.06382 0.06699 124 7D+1 0.04811 0.08420 -0.00240 -0.01249 -0.01259 125 7D-1 0.08762 -0.01192 -0.00100 0.05190 0.05145 126 7D+2 -0.04191 0.05619 -0.00151 0.11018 0.09105 127 7D-2 -0.02650 -0.02393 0.00066 0.05700 0.04926 128 8D 0 0.00885 -0.01372 0.00006 0.02056 0.02170 129 8D+1 0.01447 0.02615 -0.00072 -0.00407 -0.00415 130 8D-1 0.02818 -0.00399 -0.00033 0.01683 0.01686 131 8D+2 -0.01290 0.01797 -0.00050 0.03563 0.02982 132 8D-2 -0.00866 -0.00857 0.00025 0.01842 0.01615 133 7 Cu 1S 0.00022 -0.00199 0.00005 -0.00043 -0.00061 134 2S -0.00244 0.03209 -0.00075 0.01144 -0.01126 135 3S 0.01142 -0.13595 0.00116 0.12561 0.00017 136 4PX -0.00024 -0.00154 0.00112 -0.00195 0.00193 137 4PY 0.00033 -0.00358 -0.00019 -0.00346 0.00442 138 4PZ 0.00091 -0.00026 -0.00241 -0.00056 0.00055 139 5PX 0.01262 -0.04323 -0.00381 0.01887 0.00018 140 5PY -0.00204 -0.00016 0.00074 0.04279 -0.02077 141 5PZ -0.01921 -0.02109 0.01017 0.00369 0.00126 142 6PX 0.01583 -0.01175 -0.00827 0.04334 0.00592 143 6PY -0.00451 0.02053 0.00190 -0.00419 -0.02127 144 6PZ -0.03432 -0.01069 0.01799 0.01794 0.00293 145 7D 0 0.35433 -0.14201 -0.30811 0.35813 -0.00011 146 7D+1 0.32485 0.29434 -0.33701 -0.22230 -0.10318 147 7D-1 -0.00430 -0.07118 -0.04876 0.05993 0.17600 148 7D+2 -0.20610 0.17066 0.18361 0.18513 -0.09587 149 7D-2 0.06430 -0.09736 -0.02870 -0.03074 0.36425 150 8D 0 0.11605 -0.04641 -0.10310 0.11952 -0.00096 151 8D+1 0.10621 0.09588 -0.11263 -0.07367 -0.03378 152 8D-1 -0.00245 -0.02395 -0.01599 0.02032 0.05828 153 8D+2 -0.06724 0.05507 0.06141 0.06314 -0.03233 154 8D-2 0.02155 -0.03299 -0.00977 -0.00982 0.12112 155 8 Cu 1S -0.00142 0.00069 0.00000 -0.00213 -0.00041 156 2S 0.00542 -0.00282 0.00023 0.01362 -0.05107 157 3S -0.09033 0.04506 0.00015 -0.11418 0.01688 158 4PX 0.00020 0.00241 0.00258 0.00505 -0.00335 159 4PY 0.00265 -0.00079 0.00042 -0.01453 0.01189 160 4PZ -0.00211 0.00071 -0.00033 0.01304 -0.00520 161 5PX -0.00212 -0.00866 -0.01583 -0.01709 0.00761 162 5PY 0.00892 -0.00663 -0.00314 0.05000 -0.03440 163 5PZ 0.02618 -0.01152 0.00250 -0.04341 0.00193 164 6PX 0.00714 0.00078 0.01234 -0.00239 -0.00203 165 6PY -0.01988 0.00947 0.00264 0.02172 0.00323 166 6PZ 0.00774 -0.00361 -0.00201 0.01993 -0.01203 167 7D 0 0.03874 -0.00821 0.01229 0.02659 0.17297 168 7D+1 -0.00992 -0.04099 -0.05265 0.03355 0.02722 169 7D-1 -0.06271 0.04188 0.00509 -0.06033 -0.00670 170 7D+2 0.11452 -0.00405 0.03527 -0.07452 0.09593 171 7D-2 -0.02412 -0.12524 -0.10314 -0.04371 0.04103 172 8D 0 0.01443 -0.00385 0.00368 0.00702 0.05407 173 8D+1 -0.00211 -0.01284 -0.01582 0.01072 0.00856 174 8D-1 -0.02110 0.01402 0.00150 -0.02041 -0.00321 175 8D+2 0.03683 -0.00144 0.01049 -0.02501 0.03158 176 8D-2 -0.00767 -0.03973 -0.03084 -0.01463 0.01331 177 9 C 1S 0.00009 -0.00003 0.00011 -0.00127 -0.01718 178 2S -0.00042 0.00022 -0.00025 0.01210 0.04339 179 3S 0.00019 -0.00035 -0.00053 -0.02582 0.07189 180 4PX -0.00283 -0.00779 0.00041 -0.00164 -0.01199 181 4PY 0.00085 -0.00236 -0.00024 0.00683 0.04881 182 4PZ 0.00827 -0.00268 -0.00001 -0.00174 -0.01187 183 5PX -0.00355 -0.00876 0.00063 0.00480 -0.00205 184 5PY 0.00155 -0.00312 0.00004 -0.01898 0.00558 185 5PZ 0.00921 -0.00310 -0.00014 0.00368 -0.00373 186 10 O 1S -0.00001 0.00000 -0.00001 -0.00005 0.00200 187 2S 0.00004 -0.00001 0.00005 -0.00051 -0.00807 188 3S -0.00009 0.00006 0.00002 0.00216 0.00038 189 4PX 0.00762 0.02011 -0.00088 0.00067 0.00637 190 4PY -0.00282 0.00642 0.00001 -0.00333 -0.02469 191 4PZ -0.02091 0.00677 0.00017 0.00099 0.00728 192 5PX 0.00554 0.01444 -0.00066 0.00019 0.00229 193 5PY -0.00206 0.00463 -0.00007 -0.00137 -0.00793 194 5PZ -0.01494 0.00486 0.00016 0.00039 0.00318 71 72 73 74 75 O O O O O EIGENVALUES -- -0.25101 -0.25094 -0.25053 -0.25042 -0.24888 1 1 Cu 1S 0.00004 -0.00001 -0.00002 -0.00001 0.00077 2 2S 0.00008 0.00003 0.00032 0.00064 -0.00344 3 3S 0.01166 -0.00091 -0.00057 0.00195 0.06772 4 4PX 0.00014 -0.00268 -0.00270 0.00010 0.00008 5 4PY 0.00000 -0.00057 -0.00077 -0.00095 -0.00150 6 4PZ 0.00225 0.00023 0.00006 -0.00279 -0.00328 7 5PX 0.00139 -0.01182 0.02483 0.00028 -0.00083 8 5PY 0.00465 -0.00233 0.00509 0.00400 0.01044 9 5PZ 0.01548 0.00154 -0.00135 0.02397 0.02076 10 6PX 0.01143 -0.23617 -0.06334 0.00313 -0.00253 11 6PY 0.04877 -0.05190 -0.01561 -0.01472 -0.01259 12 6PZ 0.24170 0.02449 -0.00623 -0.08089 -0.05786 13 7D 0 0.10475 -0.03495 -0.00977 -0.00312 -0.17400 14 7D+1 0.04167 0.11525 0.02174 0.00171 -0.05278 15 7D-1 0.01503 0.01713 0.00668 -0.05176 -0.05567 16 7D+2 -0.06079 0.00088 0.02620 0.02258 0.04433 17 7D-2 -0.02464 0.04926 -0.03864 0.00565 0.00898 18 8D 0 0.02820 -0.00962 -0.00300 -0.00157 -0.05080 19 8D+1 0.01125 0.03171 0.00698 0.00023 -0.01525 20 8D-1 0.00460 0.00481 0.00200 -0.01491 -0.01544 21 8D+2 -0.01691 0.00058 0.00750 0.00674 0.01156 22 8D-2 -0.00682 0.01284 -0.01074 0.00172 0.00206 23 2 Cu 1S 0.00052 0.00064 -0.00033 0.00019 -0.00052 24 2S -0.00348 -0.00409 -0.00161 0.00427 0.00824 25 3S 0.00238 0.00685 -0.00317 0.00269 0.00226 26 4PX 0.00060 0.00034 -0.00017 0.00413 0.00115 27 4PY 0.00073 0.00093 0.00101 0.00083 -0.00107 28 4PZ 0.00012 -0.00087 0.00345 0.00185 -0.00458 29 5PX -0.00488 -0.00112 0.00231 -0.01860 -0.00512 30 5PY -0.01146 -0.01381 -0.00255 -0.00411 0.00723 31 5PZ -0.00104 0.01056 -0.01715 -0.00724 0.02021 32 6PX -0.02103 0.00982 -0.00347 0.00145 -0.00095 33 6PY -0.04591 -0.04938 -0.01793 0.01734 0.01300 34 6PZ -0.01334 0.04258 0.01045 -0.00649 0.02549 35 7D 0 0.12683 -0.26717 -0.00166 -0.01453 -0.16056 36 7D+1 -0.15113 -0.22614 -0.16858 -0.08902 0.25673 37 7D-1 -0.30668 -0.24736 0.34108 0.22876 -0.12670 38 7D+2 -0.18499 -0.24597 -0.03765 -0.34436 0.01526 39 7D-2 -0.11994 0.11961 0.04894 0.24992 0.08503 40 8D 0 0.04157 -0.08766 -0.00104 -0.00517 -0.05317 41 8D+1 -0.05049 -0.07586 -0.05586 -0.02908 0.08552 42 8D-1 -0.10137 -0.08190 0.11272 0.07575 -0.04167 43 8D+2 -0.06037 -0.08050 -0.01242 -0.11372 0.00467 44 8D-2 -0.03904 0.03988 0.01622 0.08295 0.02801 45 3 Cu 1S 0.00036 0.00040 -0.00043 0.00030 -0.00136 46 2S 0.01901 0.02609 0.00615 -0.00109 0.02225 47 3S 0.00870 0.01045 -0.02519 0.01284 -0.05581 48 4PX 0.00075 -0.00332 -0.00269 -0.00513 0.00277 49 4PY 0.00012 -0.00171 -0.00164 -0.00362 -0.00233 50 4PZ 0.00358 -0.00033 -0.00550 -0.00593 0.00339 51 5PX 0.00588 0.03710 0.00806 0.01995 -0.00393 52 5PY -0.00906 0.00106 0.01051 0.00970 0.01243 53 5PZ -0.02972 -0.00637 0.01940 0.02196 -0.02339 54 6PX 0.05183 0.09664 0.04012 -0.01996 0.01503 55 6PY -0.04751 -0.07074 -0.02377 0.02698 -0.02014 56 6PZ -0.03330 -0.03487 -0.00812 0.02282 -0.00346 57 7D 0 -0.00892 0.02022 -0.00035 -0.02218 -0.01111 58 7D+1 0.11691 0.12080 -0.14750 -0.01314 0.07914 59 7D-1 -0.08241 -0.03929 0.11370 0.13874 -0.11456 60 7D+2 -0.05344 -0.15819 -0.00681 -0.17597 -0.03749 61 7D-2 0.04150 0.08951 0.06468 0.08054 -0.00017 62 8D 0 -0.00461 0.00667 -0.00110 -0.00811 -0.00472 63 8D+1 0.03628 0.03712 -0.04661 -0.00226 0.02455 64 8D-1 -0.02635 -0.01389 0.03452 0.04204 -0.03445 65 8D+2 -0.01715 -0.05072 -0.00038 -0.05385 -0.01199 66 8D-2 0.01389 0.02758 0.01995 0.02513 -0.00015 67 4 Cu 1S 0.00031 -0.00042 0.00052 0.00021 -0.00122 68 2S 0.01598 -0.02854 -0.00511 0.00022 0.01715 69 3S 0.01043 -0.00933 0.02661 0.00825 -0.04854 70 4PX -0.00006 -0.00332 -0.00048 0.00443 -0.00122 71 4PY 0.00010 0.00048 0.00019 -0.00186 -0.00311 72 4PZ 0.00409 0.00071 0.00446 -0.00841 0.00398 73 5PX -0.00610 0.03511 0.00256 -0.01639 -0.00367 74 5PY -0.01152 0.01446 -0.00576 0.00344 0.01155 75 5PZ -0.02865 -0.00066 -0.01454 0.03097 -0.02257 76 6PX -0.02767 0.06922 0.03089 0.00506 -0.00438 77 6PY -0.05586 0.11004 0.04856 0.01800 -0.01680 78 6PZ -0.01857 0.01242 0.00126 0.01753 -0.00049 79 7D 0 0.03322 -0.06752 0.04834 -0.02886 0.01204 80 7D+1 -0.05490 0.05176 -0.06076 -0.01551 -0.01680 81 7D-1 -0.10165 0.04442 -0.13128 0.20211 -0.12074 82 7D+2 -0.01712 0.05917 -0.07079 -0.06737 -0.01810 83 7D-2 -0.08556 0.20479 -0.03257 -0.14210 -0.03646 84 8D 0 0.00871 -0.02066 0.01625 -0.00949 0.00265 85 8D+1 -0.01780 0.01461 -0.01917 -0.00652 -0.00614 86 8D-1 -0.03193 0.01490 -0.04026 0.06082 -0.03652 87 8D+2 -0.00494 0.01916 -0.02315 -0.02047 -0.00614 88 8D-2 -0.02776 0.06503 -0.01136 -0.04402 -0.01133 89 5 Cu 1S -0.00079 0.00002 0.00001 -0.00031 0.00098 90 2S 0.00456 -0.00030 0.00020 -0.00310 -0.04361 91 3S -0.01854 0.00049 -0.00006 -0.00082 -0.02412 92 4PX 0.00027 -0.00041 0.00498 -0.00081 -0.00046 93 4PY -0.00149 0.00000 0.00097 -0.00049 -0.00404 94 4PZ -0.00086 0.00005 -0.00083 -0.00277 -0.01052 95 5PX -0.00303 0.00633 -0.02199 0.00334 0.00055 96 5PY 0.01990 0.00047 -0.00448 0.00436 0.02591 97 5PZ 0.00845 -0.00110 0.00397 0.01427 0.04802 98 6PX -0.01175 0.04130 -0.00095 0.00462 0.00352 99 6PY 0.07449 0.00525 -0.00584 -0.03054 0.00589 100 6PZ 0.01038 -0.00650 -0.00170 -0.00649 0.04261 101 7D 0 0.03423 -0.03835 0.08035 0.18542 0.59792 102 7D+1 -0.02600 0.16708 -0.25415 0.07249 0.09701 103 7D-1 -0.17947 0.00073 -0.11981 -0.06077 0.17022 104 7D+2 0.46114 -0.10976 -0.23305 0.11026 -0.00925 105 7D-2 0.19942 0.25337 0.43053 -0.02128 0.01684 106 8D 0 0.00988 -0.01244 0.02646 0.06161 0.19953 107 8D+1 -0.00871 0.05460 -0.08341 0.02401 0.03193 108 8D-1 -0.06033 0.00019 -0.03947 -0.02003 0.05819 109 8D+2 0.15216 -0.03621 -0.07709 0.03621 -0.00181 110 8D-2 0.06564 0.08333 0.14273 -0.00716 0.00639 111 6 Cu 1S 0.00010 0.00000 -0.00001 -0.00003 -0.00036 112 2S 0.00247 -0.00086 0.00192 0.00571 0.02115 113 3S -0.00013 -0.00012 0.00258 0.00666 0.00069 114 4PX 0.00010 -0.00477 -0.00414 -0.00007 -0.00052 115 4PY 0.00107 -0.00113 -0.00091 -0.00065 0.00413 116 4PZ 0.00457 0.00047 0.00011 -0.00425 0.00503 117 5PX -0.00096 0.02735 0.01147 -0.00002 -0.00002 118 5PY -0.00639 0.00613 0.00262 0.00185 -0.00825 119 5PZ -0.02668 -0.00276 0.00020 0.01193 -0.02348 120 6PX -0.00120 0.01402 0.00579 -0.00123 0.00069 121 6PY -0.00301 0.00308 0.00186 0.00099 -0.00903 122 6PZ -0.01228 -0.00180 0.00100 0.00410 -0.01839 123 7D 0 0.03230 0.00036 0.05966 0.08415 0.06196 124 7D+1 0.01160 0.00173 -0.18879 0.02838 0.01977 125 7D-1 -0.03939 -0.00412 -0.03922 0.16746 -0.04524 126 7D+2 -0.00700 -0.02374 -0.07915 -0.11801 0.03839 127 7D-2 -0.00371 0.05013 0.06896 -0.03508 0.01471 128 8D 0 0.00861 0.00037 0.01878 0.02581 0.01937 129 8D+1 0.00291 -0.00015 -0.05947 0.00858 0.00609 130 8D-1 -0.01117 -0.00122 -0.01254 0.05381 -0.01419 131 8D+2 -0.00216 -0.00682 -0.02554 -0.03743 0.01246 132 8D-2 -0.00099 0.01400 0.02296 -0.01107 0.00478 133 7 Cu 1S 0.00047 -0.00070 0.00034 0.00016 -0.00043 134 2S -0.00280 0.00425 0.00385 0.00339 0.00455 135 3S 0.00012 -0.00773 0.00550 0.00172 0.00104 136 4PX -0.00079 0.00094 -0.00151 -0.00316 -0.00078 137 4PY 0.00030 -0.00065 -0.00150 -0.00052 -0.00150 138 4PZ 0.00024 0.00074 -0.00278 0.00356 -0.00398 139 5PX 0.00811 -0.00980 0.00916 0.01443 0.00211 140 5PY -0.00748 0.01190 0.00596 0.00200 0.00938 141 5PZ -0.00319 -0.00903 0.01362 -0.01505 0.01760 142 6PX 0.03013 -0.02574 -0.01603 -0.00575 -0.00185 143 6PY -0.02899 0.04933 0.01887 0.00994 0.01216 144 6PZ -0.02580 -0.03826 -0.00681 -0.00145 0.02506 145 7D 0 0.03317 0.37439 0.03802 -0.06172 -0.05716 146 7D+1 0.32844 -0.19887 -0.02112 0.01960 -0.22261 147 7D-1 -0.20822 0.12131 -0.30050 0.41273 -0.20287 148 7D+2 -0.11227 0.00602 -0.00016 -0.05863 0.06059 149 7D-2 -0.07830 0.28546 -0.12255 -0.32657 -0.07547 150 8D 0 0.01051 0.12365 0.01304 -0.02060 -0.01866 151 8D+1 0.10846 -0.06670 -0.00698 0.00593 -0.07401 152 8D-1 -0.06869 0.03978 -0.09934 0.13645 -0.06701 153 8D+2 -0.03617 0.00082 -0.00013 -0.01910 0.01975 154 8D-2 -0.02572 0.09382 -0.04056 -0.10811 -0.02513 155 8 Cu 1S -0.00050 0.00003 -0.00002 -0.00041 0.00069 156 2S -0.02941 0.00143 0.00257 0.00983 -0.04181 157 3S -0.01295 -0.00032 -0.00300 -0.02692 0.04763 158 4PX -0.00039 -0.00438 -0.01003 0.00119 0.00120 159 4PY 0.00143 -0.00091 -0.00234 0.00040 -0.00118 160 4PZ 0.00275 0.00048 0.00169 0.00125 0.00850 161 5PX -0.00310 0.02818 0.03633 -0.00542 -0.00285 162 5PY -0.00161 0.00611 0.00848 0.00288 -0.00785 163 5PZ -0.03905 -0.00221 -0.00490 -0.00502 -0.03863 164 6PX -0.03056 0.01405 0.01895 0.01248 -0.01579 165 6PY 0.06266 0.00000 -0.00382 -0.02655 0.04589 166 6PZ -0.12723 0.00403 0.00939 0.05845 -0.03939 167 7D 0 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0.00202 91 3S 0.00064 0.02828 0.00069 0.09901 0.00391 92 4PX -0.00367 0.00009 0.00569 0.00324 -0.00038 93 4PY -0.00068 0.00426 0.00098 -0.00959 -0.00058 94 4PZ 0.00018 0.00441 -0.00089 0.00879 0.00045 95 5PX 0.01696 0.00316 -0.02292 -0.01167 0.00035 96 5PY 0.00225 -0.03715 -0.00342 0.03927 0.00200 97 5PZ -0.00094 -0.02107 0.00355 -0.02551 -0.00102 98 6PX 0.02683 -0.00037 -0.01230 -0.00749 0.00028 99 6PY 0.00488 -0.01688 -0.00234 0.01403 0.00101 100 6PZ -0.00188 -0.01158 0.00190 -0.03096 -0.00131 101 7D 0 -0.04737 -0.20794 0.04742 -0.08310 -0.01779 102 7D+1 0.28140 -0.02545 -0.15573 -0.14194 0.05678 103 7D-1 0.05267 -0.25165 -0.07531 0.40544 0.01734 104 7D+2 0.04556 0.00692 -0.15405 0.19666 -0.02239 105 7D-2 -0.00912 -0.02844 0.30708 0.14361 0.10316 106 8D 0 -0.01559 -0.06954 0.01565 -0.02695 -0.00583 107 8D+1 0.09308 -0.00796 -0.05132 -0.04808 0.01862 108 8D-1 0.01739 -0.08468 -0.02469 0.13865 0.00592 109 8D+2 0.01493 0.00013 -0.05050 0.06682 -0.00737 110 8D-2 -0.00294 -0.01058 0.10069 0.04898 0.03427 111 6 Cu 1S 0.00010 0.00163 -0.00005 0.00000 0.00000 112 2S -0.00564 -0.09129 0.00199 -0.00068 0.00009 113 3S -0.00051 -0.00482 0.00099 -0.00027 0.00019 114 4PX 0.00582 0.00275 -0.00015 -0.00060 -0.01008 115 4PY 0.00050 -0.01212 0.00023 -0.00245 -0.00218 116 4PZ -0.00023 0.00427 -0.00001 -0.01006 0.00112 117 5PX -0.02454 -0.00184 0.00049 0.00255 0.04316 118 5PY -0.00468 0.01145 -0.00025 0.01028 0.00936 119 5PZ 0.00154 -0.00916 -0.00011 0.04308 -0.00473 120 6PX -0.02063 -0.00352 0.00011 0.00083 0.01983 121 6PY -0.00336 0.01979 -0.00048 0.00480 0.00434 122 6PZ 0.00102 -0.00867 0.00011 0.02064 -0.00205 123 7D 0 0.00087 -0.07419 0.00110 -0.18292 -0.01894 124 7D+1 -0.01055 0.02447 0.00330 -0.09611 0.04560 125 7D-1 -0.00004 -0.08392 0.00023 0.21449 -0.02512 126 7D+2 0.02024 -0.13848 0.00073 -0.01436 -0.11110 127 7D-2 -0.07447 -0.06881 0.00483 0.01753 0.27064 128 8D 0 0.00012 -0.02400 0.00036 -0.06083 -0.00630 129 8D+1 -0.00300 0.00776 0.00104 -0.03195 0.01519 130 8D-1 0.00000 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0.02450 0.04251 53 5PZ 0.06816 0.01180 -0.00444 -0.08680 -0.12291 54 6PX -0.06875 -0.09439 -0.01436 0.14338 -0.00192 55 6PY 0.05404 0.05431 0.01927 -0.05332 0.07431 56 6PZ 0.04449 0.03661 0.00153 -0.08433 -0.07205 57 7D 0 -0.13938 0.00848 0.04662 0.02812 0.02545 58 7D+1 0.03473 0.01706 -0.00247 -0.03199 -0.03735 59 7D-1 0.01351 0.00099 -0.08833 -0.03535 0.03535 60 7D+2 -0.03397 -0.08931 -0.03543 0.02330 -0.04002 61 7D-2 -0.01800 -0.13651 0.11025 0.06324 0.00275 62 8D 0 -0.04462 0.00322 0.01455 0.01012 0.00548 63 8D+1 0.01417 0.00912 -0.00061 -0.00703 -0.01310 64 8D-1 0.00475 0.00139 -0.03027 -0.01139 0.01101 65 8D+2 -0.01189 -0.02992 -0.01340 0.00633 -0.01189 66 8D-2 -0.00555 -0.04361 0.03614 0.02206 -0.00025 67 4 Cu 1S -0.00036 0.00084 -0.00037 0.00143 0.00372 68 2S -0.08249 0.21074 0.03401 -0.09707 0.11335 69 3S 0.01337 -0.03125 0.04390 0.09496 -0.03131 70 4PX 0.00108 0.02026 -0.00259 0.04350 0.00341 71 4PY -0.01881 0.03085 -0.05305 0.00024 -0.00503 72 4PZ -0.01998 -0.00352 0.00642 0.01875 0.03054 73 5PX 0.00761 -0.08204 0.00800 -0.12534 -0.01386 74 5PY 0.04894 -0.07700 0.14164 -0.02598 0.03597 75 5PZ 0.05988 -0.00276 -0.01654 -0.05091 -0.12376 76 6PX 0.02859 -0.08279 0.00261 -0.12599 -0.03925 77 6PY 0.05079 -0.10586 0.01990 -0.11353 0.05221 78 6PZ 0.02190 -0.01866 -0.00209 -0.04295 -0.06154 79 7D 0 -0.10470 0.02277 0.03243 0.00924 0.00724 80 7D+1 -0.09249 -0.01020 0.04498 0.03437 0.03678 81 7D-1 -0.00570 0.02561 -0.03848 -0.00529 0.05730 82 7D+2 -0.00919 0.16310 0.07903 0.07477 -0.02058 83 7D-2 -0.02377 -0.01169 -0.11685 -0.02694 -0.01626 84 8D 0 -0.03273 0.00477 0.00974 0.00548 -0.00038 85 8D+1 -0.03106 -0.00020 0.01525 0.00907 0.01123 86 8D-1 -0.00227 0.00850 -0.01366 -0.00221 0.01773 87 8D+2 -0.00367 0.05431 0.02491 0.02389 -0.00650 88 8D-2 -0.00841 -0.00204 -0.03985 -0.01112 -0.00400 89 5 Cu 1S 0.00049 -0.00009 -0.00007 0.00753 0.00102 90 2S 0.32561 -0.04062 -0.21153 0.18101 0.09416 91 3S 0.13994 -0.02013 -0.09400 0.01524 -0.06859 92 4PX 0.00524 0.01185 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0.02806 -0.01096 0.34460 0.17559 0.00554 113 3S -0.00219 0.00049 -0.00186 0.48796 0.01346 114 4PX 0.00022 0.00975 -0.00214 0.00980 0.00299 115 4PY -0.00115 0.00200 0.01013 -0.04283 0.00994 116 4PZ -0.00980 0.00000 -0.00147 0.00829 0.04785 117 5PX -0.00258 -0.04103 -0.01149 -0.02566 -0.00993 118 5PY 0.01231 -0.01128 0.04128 0.11494 -0.03454 119 5PZ 0.04051 0.00083 -0.01279 -0.02096 -0.16343 120 6PX -0.00121 -0.01986 -0.00965 -0.02193 0.00022 121 6PY 0.00775 -0.00580 0.03714 0.08707 0.00753 122 6PZ 0.02185 0.00105 -0.00973 -0.02115 0.02075 123 7D 0 -0.01379 -0.00088 -0.00889 -0.03450 0.05206 124 7D+1 -0.00786 0.01154 0.00291 0.00590 0.02829 125 7D-1 0.03938 0.00288 -0.01089 -0.02505 -0.06588 126 7D+2 -0.01110 0.02086 -0.01599 -0.05587 0.00375 127 7D-2 -0.00526 -0.03738 -0.00969 -0.02785 -0.00555 128 8D 0 -0.00534 -0.00001 -0.00548 -0.01253 0.01630 129 8D+1 -0.00287 0.00342 0.00148 0.00218 0.00910 130 8D-1 0.01307 0.00098 -0.00571 -0.00925 -0.02253 131 8D+2 -0.00382 0.00716 -0.00966 -0.02049 0.00192 132 8D-2 -0.00189 -0.01283 -0.00549 -0.01027 -0.00167 133 7 Cu 1S -0.00013 0.00048 0.00005 0.00738 -0.00014 134 2S -0.14489 0.32549 -0.16015 0.18221 -0.03613 135 3S -0.05827 0.14178 -0.07198 0.00534 0.03391 136 4PX 0.00780 -0.00422 0.00385 0.02779 0.01126 137 4PY 0.00591 -0.01557 0.01452 0.02278 -0.01881 138 4PZ -0.01010 -0.00573 0.00112 0.01020 0.00482 139 5PX -0.00548 -0.01847 -0.00717 -0.13819 -0.02185 140 5PY 0.00093 0.00633 -0.01040 -0.11212 0.09682 141 5PZ 0.02695 0.00375 -0.00431 -0.05079 -0.01387 142 6PX -0.02494 0.02001 -0.00099 -0.00876 0.00699 143 6PY 0.02169 -0.04023 -0.00176 -0.12156 0.01671 144 6PZ 0.02353 0.02811 -0.00261 0.00823 0.02379 145 7D 0 -0.08324 0.03306 -0.03232 -0.02545 -0.01857 146 7D+1 -0.05908 -0.05585 -0.00307 0.02010 -0.00398 147 7D-1 -0.06079 0.00191 0.02280 0.01944 0.02847 148 7D+2 0.01757 0.07435 -0.05958 0.00498 0.03709 149 7D-2 0.01145 0.01767 0.06559 0.05620 -0.01513 150 8D 0 -0.02491 0.00643 -0.00860 -0.00949 -0.00475 151 8D+1 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15 7D-1 -0.02445 -0.01601 -0.08857 -0.03803 0.00182 16 7D+2 -0.07885 -0.04230 0.04659 -0.07924 0.00978 17 7D-2 0.16554 0.05444 0.01457 -0.04092 0.00332 18 8D 0 0.00125 0.00540 -0.00687 -0.01387 0.00021 19 8D+1 -0.00666 -0.01752 -0.00195 0.00271 0.00034 20 8D-1 -0.00561 -0.00352 -0.01706 -0.01126 -0.00095 21 8D+2 -0.01669 -0.00801 0.01061 -0.02331 -0.00080 22 8D-2 0.03374 0.00836 0.00337 -0.01207 -0.00076 23 2 Cu 1S 0.00080 -0.00810 -0.00590 0.00337 -0.00369 24 2S 0.07841 -0.17959 -0.13057 0.02608 -0.02142 25 3S -0.05455 -0.16786 -0.11938 0.20453 -0.05298 26 4PX -0.00302 0.01832 0.03371 0.02008 0.01901 27 4PY 0.03734 -0.00546 0.00665 0.02249 -0.04471 28 4PZ -0.01447 -0.03340 0.00226 -0.02395 0.00027 29 5PX 0.05898 -0.09831 -0.15325 -0.10393 -0.09277 30 5PY -0.17184 0.05584 -0.00259 -0.07801 0.19952 31 5PZ 0.02996 0.13897 -0.00537 0.10930 0.00518 32 6PX 0.04285 -0.08837 -0.13942 -0.05242 -0.10835 33 6PY -0.01555 -0.03570 -0.06580 -0.01656 0.28741 34 6PZ -0.00954 0.16134 0.01713 0.04614 -0.01470 35 7D 0 -0.03709 -0.01049 0.02121 -0.01504 0.00397 36 7D+1 0.02073 0.02278 -0.00160 0.02906 0.00552 37 7D-1 0.02585 0.00562 0.02786 -0.01534 0.01347 38 7D+2 -0.03099 0.02150 -0.01398 -0.04465 0.01281 39 7D-2 -0.02386 -0.00578 -0.00365 -0.00928 -0.00393 40 8D 0 -0.01261 -0.00239 0.00540 -0.00489 0.00042 41 8D+1 0.00793 0.00958 0.00141 0.00811 -0.00013 42 8D-1 0.00554 0.00024 0.00797 -0.00418 0.00296 43 8D+2 -0.01183 0.00403 -0.00601 -0.01315 0.00330 44 8D-2 -0.00886 -0.00120 0.00035 -0.00365 -0.00168 45 3 Cu 1S -0.00678 0.00271 0.00205 -0.00588 0.00356 46 2S -0.21335 0.09398 0.06998 -0.13096 -0.00494 47 3S 0.05868 -0.06676 -0.04782 -0.28113 0.04231 48 4PX 0.01936 -0.00286 0.03157 0.01183 -0.05040 49 4PY 0.02633 -0.02463 0.00021 0.02841 0.02194 50 4PZ -0.00431 -0.02443 0.02702 -0.02022 0.02631 51 5PX -0.06804 -0.01527 -0.12671 -0.08105 0.13487 52 5PY -0.13276 0.14268 0.04096 -0.04233 0.00246 53 5PZ 0.02090 0.07994 -0.09670 0.07719 -0.09246 54 6PX -0.03278 0.20092 0.12828 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-0.00237 -0.05545 75 5PZ -0.00425 -0.05478 -0.13913 0.04777 -0.05235 76 6PX -0.10602 0.10017 -0.03531 0.13688 -0.05702 77 6PY 0.11084 0.32865 -0.15305 0.06131 0.07629 78 6PZ -0.03909 -0.00319 -0.02010 0.05250 -0.02586 79 7D 0 -0.02238 0.03789 0.00937 0.02957 -0.01746 80 7D+1 -0.00460 -0.00763 0.03716 -0.02299 0.00862 81 7D-1 -0.02912 -0.01659 0.02864 0.04108 0.01576 82 7D+2 0.00925 -0.01513 -0.01364 0.03111 -0.00209 83 7D-2 0.02067 -0.06754 0.02654 0.06870 0.03978 84 8D 0 -0.00955 0.01260 0.00242 0.00745 -0.00254 85 8D+1 0.00103 -0.00371 0.01201 -0.00675 0.00017 86 8D-1 -0.00879 -0.00548 0.00894 0.01148 0.00467 87 8D+2 0.00112 -0.00591 -0.00365 0.00695 -0.00045 88 8D-2 0.00888 -0.02193 0.00869 0.02017 0.01055 89 5 Cu 1S 0.00011 -0.00102 0.00992 0.00337 -0.00361 90 2S 0.00571 -0.02241 0.21940 0.02643 -0.01976 91 3S -0.00249 -0.01940 0.20233 0.20748 -0.05530 92 4PX -0.00260 -0.02710 -0.00737 -0.00211 0.01110 93 4PY 0.00135 -0.00497 -0.00788 0.02801 -0.04126 94 4PZ -0.00008 0.00819 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0.00167 -0.00469 -0.01250 0.00057 154 8D-2 0.00322 -0.00146 -0.00310 -0.00945 0.00429 155 8 Cu 1S -0.00036 0.00039 -0.00343 -0.00584 0.00322 156 2S -0.01211 0.01247 -0.11656 -0.13009 -0.00981 157 3S 0.00246 -0.00729 0.07857 -0.27980 0.04187 158 4PX 0.02838 -0.04527 -0.01084 -0.00434 -0.01216 159 4PY 0.00706 -0.01141 0.01657 0.03227 0.01421 160 4PZ -0.00410 0.00856 -0.01690 0.01627 -0.05738 161 5PX -0.11278 0.15380 0.05626 -0.00232 0.02078 162 5PY -0.02976 0.04685 -0.12518 -0.06174 0.02143 163 5PZ 0.01630 -0.03306 0.09087 -0.10135 0.15245 164 6PX -0.03639 0.03068 -0.09153 -0.01924 -0.00013 165 6PY -0.01331 -0.01799 0.25581 -0.02372 0.05330 166 6PZ 0.00332 0.02220 -0.26994 -0.15683 0.05118 167 7D 0 0.01753 -0.00396 -0.07983 0.04896 0.04060 168 7D+1 -0.06643 0.04656 -0.02022 0.00488 0.01470 169 7D-1 -0.01869 0.00618 0.02526 -0.01858 -0.01887 170 7D+2 -0.02485 0.00539 -0.00676 0.07197 0.00096 171 7D-2 0.03200 0.00710 0.00197 0.02848 -0.00256 172 8D 0 0.00486 -0.00096 -0.02689 0.01388 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0.00138 0.09751 0.01356 -0.04563 -0.01120 18 8D 0 -0.01451 -0.00266 -0.00187 -0.00397 -0.00203 19 8D+1 -0.00768 0.00392 -0.00045 0.01337 0.00663 20 8D-1 0.01540 -0.00042 -0.01858 0.00195 0.00147 21 8D+2 0.00049 -0.00830 0.00820 0.00911 0.00317 22 8D-2 0.00010 0.02037 0.00341 -0.01181 -0.00364 23 2 Cu 1S 0.00084 -0.00136 0.00325 -0.00404 0.00345 24 2S 0.02092 -0.02999 -0.03634 0.04296 0.09375 25 3S 0.00573 -0.01231 0.01852 -0.01909 0.12865 26 4PX 0.03240 0.01230 -0.02872 0.04238 0.01087 27 4PY 0.01766 0.00192 0.03163 -0.03551 0.03939 28 4PZ 0.02905 0.03403 0.01742 -0.01096 -0.00662 29 5PX -0.14208 -0.06404 0.10950 -0.17312 -0.02977 30 5PY -0.07305 -0.01943 -0.14100 0.15494 -0.20100 31 5PZ -0.14041 -0.14506 -0.07025 0.03303 0.01614 32 6PX -0.20264 -0.06599 0.12402 -0.36574 -0.52177 33 6PY -0.26222 0.19874 -0.31730 0.27967 -0.74460 34 6PZ -0.10935 -0.29796 -0.20841 -0.03604 0.30927 35 7D 0 -0.00361 0.01277 -0.02197 -0.00506 -0.00188 36 7D+1 -0.00977 -0.00591 -0.00015 0.00615 0.00237 37 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-0.11495 77 6PY -0.30060 -0.61231 -0.11754 -0.28227 1.34276 78 6PZ -0.12032 0.09085 -0.06191 -0.02465 -0.29457 79 7D 0 -0.00407 -0.02774 -0.03573 -0.00427 0.00567 80 7D+1 0.00721 0.03081 -0.02169 0.00660 -0.01269 81 7D-1 -0.05730 0.01365 0.03848 -0.01019 0.00354 82 7D+2 0.01064 0.00371 -0.00092 -0.02618 -0.05043 83 7D-2 0.02170 -0.01826 -0.01276 0.02741 -0.03312 84 8D 0 0.00166 -0.00607 -0.00692 -0.00002 0.00384 85 8D+1 0.00360 0.00649 -0.00481 -0.00050 -0.00312 86 8D-1 -0.01371 0.00449 0.00889 -0.00175 -0.00102 87 8D+2 0.00276 0.00411 -0.00090 -0.00646 -0.01456 88 8D-2 0.00623 -0.00360 -0.00250 0.00676 -0.01087 89 5 Cu 1S -0.00180 -0.00018 -0.00505 -0.00082 0.00038 90 2S -0.03751 -0.00456 0.05614 0.00913 0.01045 91 3S -0.01730 -0.00388 -0.02588 -0.00338 0.01400 92 4PX -0.00506 0.05510 0.01505 0.01103 0.02220 93 4PY -0.01532 0.00952 -0.03794 -0.00444 0.00893 94 4PZ -0.00914 -0.00909 0.05865 0.00828 -0.00266 95 5PX 0.02473 -0.25133 -0.06254 -0.05433 -0.11070 96 5PY 0.05402 -0.04552 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Cu 1S 0.00601 0.00070 0.00261 0.00041 -0.00012 156 2S 0.07800 0.00812 0.12370 0.01992 0.00263 157 3S 0.02129 0.00120 0.18369 0.02979 0.03850 158 4PX -0.00158 0.04354 -0.01592 0.01239 -0.02420 159 4PY -0.03277 0.00516 0.04587 0.01075 -0.00540 160 4PZ -0.02253 -0.00941 -0.02872 -0.00683 0.00620 161 5PX 0.00621 -0.16271 0.04565 -0.05990 0.06803 162 5PY 0.15798 -0.01483 -0.12958 -0.03578 0.01145 163 5PZ 0.13618 0.04077 0.05916 0.01914 -0.02613 164 6PX -0.15860 -0.17573 -0.07214 -0.06810 0.24183 165 6PY 0.55966 0.02393 0.16229 0.01040 -0.07997 166 6PZ -0.41505 -0.01720 -0.31566 -0.04037 0.01484 167 7D 0 -0.01284 -0.00917 -0.01038 -0.00433 -0.00718 168 7D+1 -0.00858 0.02997 -0.01288 0.01054 0.04387 169 7D-1 -0.02212 0.01183 0.03193 -0.00116 0.01614 170 7D+2 0.02955 0.03030 0.01110 -0.02047 0.01976 171 7D-2 0.01714 -0.04757 -0.00061 0.05431 -0.02335 172 8D 0 -0.00475 -0.00175 -0.00148 -0.00056 -0.00218 173 8D+1 -0.00146 0.00490 -0.00256 0.00144 0.01397 174 8D-1 -0.00709 0.00243 0.00866 -0.00012 0.00404 175 8D+2 0.00468 0.00754 0.00084 -0.00472 0.00386 176 8D-2 0.00303 -0.01365 -0.00055 0.01145 -0.00215 177 9 C 1S -0.00126 -0.00040 -0.00004 -0.00002 -0.00003 178 2S 0.00366 0.00117 0.00010 0.00006 0.00012 179 3S 0.00766 0.00259 0.00037 0.00022 0.00019 180 4PX -0.00818 0.34243 0.00320 -0.03109 -0.18457 181 4PY 0.08017 0.08202 -0.00739 -0.00775 -0.04220 182 4PZ 0.33995 -0.01146 -0.03652 -0.00118 0.01111 183 5PX -0.00578 0.21410 0.00355 -0.04346 -0.15663 184 5PY 0.05235 0.05213 -0.00928 -0.01061 -0.03618 185 5PZ 0.21184 -0.00720 -0.04754 -0.00100 0.00922 186 10 O 1S -0.00067 -0.00022 -0.00013 -0.00002 -0.00007 187 2S 0.00172 0.00057 0.00036 0.00005 0.00020 188 3S 0.00458 0.00149 0.00082 0.00017 0.00029 189 4PX 0.00414 -0.18452 -0.00418 0.05436 0.07520 190 4PY -0.04212 -0.04382 0.01224 0.01352 0.01723 191 4PZ -0.18352 0.00603 0.05768 0.00119 -0.00455 192 5PX 0.00365 -0.15731 -0.00248 0.02964 0.08242 193 5PY -0.03621 -0.03749 0.00677 0.00736 0.01883 194 5PZ -0.15628 0.00521 0.03236 0.00076 -0.00491 96 97 98 99 100 V V V V V EIGENVALUES -- 0.01964 0.02592 0.02707 0.03348 0.03850 1 1 Cu 1S 0.00002 -0.00067 0.00001 0.00158 0.00002 2 2S -0.00019 0.00561 -0.00092 0.11242 0.00042 3 3S -0.00957 0.75966 -0.03573 2.51641 -0.00119 4 4PX 0.00005 0.00510 0.00007 0.00248 0.00656 5 4PY 0.00434 -0.02076 0.00045 -0.01043 0.00157 6 4PZ 0.01809 0.00469 -0.00019 0.00212 -0.00064 7 5PX 0.00029 0.01251 -0.00177 0.03277 -0.04227 8 5PY -0.01016 -0.05006 0.00198 -0.13680 -0.00933 9 5PZ -0.04405 0.01282 0.00026 0.03093 0.00435 10 6PX 0.00707 -0.15568 0.00965 -0.10456 3.12849 11 6PY 0.18244 0.81623 -0.01470 0.50556 0.70126 12 6PZ 0.84978 -0.07927 -0.00027 -0.07161 -0.29764 13 7D 0 0.02543 0.01525 -0.00068 0.03598 0.00689 14 7D+1 0.00831 -0.00296 -0.00009 -0.00700 -0.02154 15 7D-1 0.03675 0.01241 -0.00071 0.02865 -0.00189 16 7D+2 -0.02807 0.02474 -0.00119 0.05929 0.00534 17 7D-2 -0.00847 0.01283 -0.00050 0.03069 -0.02288 18 8D 0 0.00230 0.00230 -0.00009 0.00227 0.00151 19 8D+1 0.00047 -0.00041 0.00000 -0.00035 -0.00442 20 8D-1 0.00687 0.00175 -0.00008 0.00150 0.00012 21 8D+2 -0.00409 0.00352 -0.00015 0.00320 0.00308 22 8D-2 -0.00116 0.00180 -0.00008 0.00162 -0.00920 23 2 Cu 1S 0.00241 -0.00327 0.00012 -0.00056 -0.00145 24 2S 0.06607 -0.10621 0.00465 -0.03505 -0.08085 25 3S 0.09226 -0.74626 0.02936 -0.66388 -0.44383 26 4PX -0.00870 0.00842 0.02938 -0.01016 -0.00503 27 4PY 0.01890 0.00037 0.01596 -0.00399 -0.00454 28 4PZ -0.02635 -0.00516 0.03986 0.00932 0.00828 29 5PX 0.06125 -0.03225 -0.13871 0.13316 0.04989 30 5PY -0.09709 -0.02070 -0.07461 0.01972 -0.00648 31 5PZ 0.11944 0.02433 -0.18617 -0.10876 -0.05283 32 6PX -0.01777 0.07924 -0.48194 0.71467 0.63123 33 6PY -0.33716 -0.84797 -0.23239 0.11147 0.65507 34 6PZ 0.68538 0.24295 -0.62405 -0.59596 -1.53736 35 7D 0 0.01492 0.01276 -0.02621 -0.00717 0.00160 36 7D+1 -0.01490 0.00602 0.00607 0.04581 0.02550 37 7D-1 0.00545 -0.00335 -0.00074 -0.00888 -0.02432 38 7D+2 -0.01933 0.00722 0.01151 -0.04144 0.00526 39 7D-2 0.01736 0.02218 0.01047 0.00037 0.00368 40 8D 0 0.00176 0.00411 -0.00148 -0.00090 0.00269 41 8D+1 -0.00227 0.00352 -0.00078 0.01128 0.00550 42 8D-1 -0.00043 -0.00040 0.00157 -0.00083 -0.00553 43 8D+2 -0.00418 0.00169 -0.00064 -0.00838 0.00082 44 8D-2 0.00123 0.00669 0.00128 0.00026 0.00616 45 3 Cu 1S -0.00094 -0.00262 0.00005 -0.00181 0.00006 46 2S 0.01195 0.05266 -0.00094 -0.00862 0.06373 47 3S 0.21694 1.47601 -0.02576 -0.14436 0.91480 48 4PX 0.02492 0.01104 0.00966 0.02403 -0.00449 49 4PY 0.00209 0.00903 0.00511 0.01092 -0.00975 50 4PZ 0.00789 -0.01164 0.01383 -0.02226 -0.03047 51 5PX -0.11518 -0.05361 -0.04896 -0.07508 -0.01716 52 5PY -0.01962 -0.04604 -0.02507 -0.06854 -0.02442 53 5PZ 0.01647 0.05732 -0.06731 0.08270 0.15876 54 6PX 0.19205 1.09163 -0.18656 -0.02639 -1.79665 55 6PY -0.86954 0.08611 -0.10036 -0.32571 2.30026 56 6PZ -0.02592 -0.86757 -0.19994 0.13800 1.03126 57 7D 0 0.02585 -0.02518 -0.03239 0.00379 -0.02634 58 7D+1 -0.04117 0.01399 0.01760 0.02939 -0.01956 59 7D-1 0.02903 0.01902 -0.02099 0.01039 -0.02218 60 7D+2 -0.00251 -0.01662 0.02975 -0.00612 -0.00189 61 7D-2 0.01585 -0.04835 0.00457 0.00124 -0.01143 62 8D 0 0.00966 -0.00823 -0.00455 -0.00133 -0.00933 63 8D+1 -0.01200 0.00199 0.00343 0.00417 -0.00846 64 8D-1 0.00669 0.00303 -0.00490 0.00262 -0.00363 65 8D+2 0.00070 -0.00667 0.00587 -0.00180 0.00132 66 8D-2 0.00126 -0.01401 -0.00009 -0.00334 -0.00374 67 4 Cu 1S -0.00072 -0.00265 0.00011 -0.00183 -0.00007 68 2S 0.00765 0.05285 -0.00037 -0.00891 -0.07033 69 3S 0.15128 1.47923 -0.02233 -0.14819 -1.00183 70 4PX -0.01807 -0.01621 0.00783 -0.03154 0.00374 71 4PY -0.00453 0.00320 -0.00162 -0.00070 0.00878 72 4PZ 0.01783 -0.00795 -0.01558 -0.01386 0.02718 73 5PX 0.09214 0.08060 -0.03883 0.11576 -0.08444 74 5PY 0.01839 -0.01640 0.00800 -0.02835 0.00996 75 5PZ -0.03293 0.03912 0.07709 0.05342 -0.13400 76 6PX 0.15079 -1.25380 -0.10294 0.17870 -1.05810 77 6PY -0.63984 -0.42942 0.04307 -0.30300 -3.04321 78 6PZ -0.07217 -0.49321 0.26592 0.11743 -0.56099 79 7D 0 0.00731 -0.01497 0.02057 0.01843 0.03516 80 7D+1 0.02926 -0.01643 0.02926 -0.02248 -0.01543 81 7D-1 0.04831 0.00186 0.03208 0.00077 0.01649 82 7D+2 0.00678 -0.05360 -0.01748 -0.01142 0.00520 83 7D-2 -0.00382 0.02078 -0.00997 -0.00761 -0.00259 84 8D 0 0.00425 -0.00666 0.00272 0.00093 0.01264 85 8D+1 0.01052 -0.00251 0.00448 -0.00373 -0.00470 86 8D-1 0.01133 -0.00077 0.00708 0.00032 0.00200 87 8D+2 0.00103 -0.01576 -0.00276 -0.00500 0.00063 88 8D-2 0.00155 0.00444 -0.00253 0.00071 -0.00382 89 5 Cu 1S -0.00417 -0.00328 0.00002 -0.00055 -0.00012 90 2S -0.11305 -0.10781 0.00096 -0.03714 -0.00538 91 3S -0.15129 -0.75887 0.01230 -0.67690 -0.02709 92 4PX 0.01076 0.00024 -0.05012 -0.00105 0.00365 93 4PY -0.04568 0.00143 -0.01035 -0.00669 0.00059 94 4PZ -0.00819 0.00949 0.00750 -0.01247 -0.00097 95 5PX -0.05884 0.00319 0.23504 0.01595 -0.02397 96 5PY 0.22690 -0.02351 0.04861 0.05223 -0.00599 97 5PZ 0.00359 -0.03506 -0.03614 0.16389 0.00779 98 6PX -0.15661 0.18042 0.78068 0.07561 -1.09612 99 6PY 0.94417 -0.81356 0.17118 0.30030 -0.16131 100 6PZ 0.58956 0.07914 -0.12102 0.90692 0.24033 101 7D 0 0.00451 -0.00607 0.00769 -0.05884 -0.00877 102 7D+1 0.00892 -0.00823 -0.02685 -0.01032 0.02803 103 7D-1 -0.02924 0.02013 -0.00405 -0.01529 0.01205 104 7D+2 0.00971 0.01222 0.00071 -0.01086 0.01957 105 7D-2 -0.00246 0.00819 -0.01231 -0.00674 -0.03401 106 8D 0 0.00177 -0.00336 0.00021 -0.01337 -0.00159 107 8D+1 0.00091 -0.00271 -0.00024 -0.00253 0.00443 108 8D-1 -0.00325 0.00542 0.00030 -0.00370 0.00215 109 8D+2 0.00440 0.00451 0.00099 -0.00065 0.00289 110 8D-2 0.00120 0.00278 -0.00247 -0.00077 -0.00451 111 6 Cu 1S 0.00004 -0.00682 0.00010 0.00306 -0.00001 112 2S 0.00144 -0.18386 0.00305 0.06682 0.00033 113 3S 0.00367 -0.48099 0.00928 0.58635 0.00048 114 4PX 0.00038 -0.00241 -0.00019 0.00051 -0.00113 115 4PY 0.01008 0.01007 -0.00032 -0.00213 -0.00023 116 4PZ 0.04437 -0.00195 0.00016 0.00034 0.00018 117 5PX -0.00178 -0.00134 0.00107 -0.00265 -0.02810 118 5PY -0.04954 0.00544 0.00031 0.01085 -0.00677 119 5PZ -0.21737 -0.00257 -0.00043 -0.00160 0.00239 120 6PX -0.00731 -0.25974 0.01315 -0.05604 -2.11063 121 6PY -0.21048 1.02352 -0.02076 0.18667 -0.47565 122 6PZ -0.88665 -0.25410 0.00186 -0.06163 0.20660 123 7D 0 -0.01570 0.01479 -0.00050 0.01764 0.01029 124 7D+1 -0.00570 -0.00294 -0.00012 -0.00371 -0.03948 125 7D-1 -0.01187 0.01186 -0.00048 0.01461 -0.01354 126 7D+2 0.01176 0.02479 -0.00079 0.03057 -0.03140 127 7D-2 0.00368 0.01288 -0.00038 0.01601 0.05154 128 8D 0 0.00004 0.00677 -0.00016 0.00338 0.00125 129 8D+1 0.00051 -0.00130 0.00001 -0.00068 -0.00518 130 8D-1 -0.00551 0.00535 -0.00016 0.00272 -0.00210 131 8D+2 0.00219 0.01139 -0.00030 0.00579 -0.00542 132 8D-2 0.00055 0.00586 -0.00010 0.00301 0.00956 133 7 Cu 1S 0.00177 -0.00329 -0.00002 -0.00057 0.00153 134 2S 0.04846 -0.10601 -0.00031 -0.03431 0.08679 135 3S 0.07116 -0.73726 0.00713 -0.66207 0.48745 136 4PX -0.00237 -0.00835 0.02084 0.01339 -0.00947 137 4PY 0.01333 -0.00350 -0.00523 0.00079 0.00203 138 4PZ -0.02586 -0.00431 -0.04747 0.00505 -0.00634 139 5PX -0.00103 0.04090 -0.09674 -0.15654 0.06255 140 5PY -0.07353 -0.00325 0.02512 -0.04042 0.03045 141 5PZ 0.12434 0.02186 0.22272 -0.06195 0.03737 142 6PX 0.18525 0.33772 -0.33700 -0.83361 1.38891 143 6PY -0.17556 -0.80188 0.08966 -0.21674 -0.28772 144 6PZ 0.59935 0.22848 0.75254 -0.34156 1.19952 145 7D 0 0.00625 0.01552 0.01853 0.01191 -0.01221 146 7D+1 0.01703 -0.00182 0.02142 -0.02524 0.01136 147 7D-1 0.02244 0.00025 0.00541 -0.01778 0.02679 148 7D+2 -0.00065 0.02011 -0.01191 -0.03595 -0.00405 149 7D-2 -0.01861 -0.01043 0.00151 -0.03925 0.01164 150 8D 0 0.00059 0.00556 0.00125 0.00386 -0.00504 151 8D+1 0.00328 -0.00201 0.00096 -0.00684 0.00206 152 8D-1 0.00227 -0.00004 -0.00184 -0.00343 0.00484 153 8D+2 -0.00137 0.00534 -0.00032 -0.00772 -0.00502 154 8D-2 -0.00290 -0.00358 0.00110 -0.00813 0.00627 155 8 Cu 1S 0.00168 -0.00259 0.00009 -0.00175 0.00006 156 2S -0.02038 0.05109 -0.00043 -0.00800 0.00517 157 3S -0.38815 1.45313 -0.02187 -0.13564 0.06642 158 4PX -0.00660 -0.00085 -0.01729 0.00082 -0.05112 159 4PY 0.00162 0.01190 -0.00394 0.01677 -0.01084 160 4PZ -0.02736 0.01396 0.00184 0.03009 0.00846 161 5PX 0.02415 0.00430 0.08475 0.00456 0.18641 162 5PY 0.03882 -0.05907 0.01925 -0.08922 0.03489 163 5PZ 0.17412 -0.06530 -0.00927 -0.09556 -0.03337 164 6PX -0.34501 0.11740 0.27693 0.05763 0.77502 165 6PY 1.36942 0.41768 0.05735 -0.29371 0.28910 166 6PZ -0.53154 1.27628 -0.06148 -0.08234 -0.27270 167 7D 0 -0.05271 -0.00646 0.01288 -0.02390 -0.00642 168 7D+1 -0.00037 0.01157 -0.04747 -0.00669 0.02852 169 7D-1 -0.02801 -0.05839 -0.01012 -0.01243 0.00649 170 7D+2 -0.01513 -0.01002 -0.01008 0.01506 0.00408 171 7D-2 -0.01405 -0.01386 0.00602 0.00511 -0.00356 172 8D 0 -0.01732 -0.00179 0.00219 -0.00297 -0.00184 173 8D+1 -0.00089 0.00376 -0.00803 0.00017 0.00924 174 8D-1 -0.00668 -0.01563 -0.00190 -0.00558 0.00139 175 8D+2 -0.00464 -0.00619 -0.00245 0.00101 -0.00032 176 8D-2 -0.00346 -0.00520 0.00294 -0.00033 0.00281 177 9 C 1S 0.00010 0.00044 0.00023 -0.01580 0.00015 178 2S -0.00038 0.00478 -0.00105 0.07649 -0.00040 179 3S -0.00028 -0.06097 0.00037 -0.00063 -0.00065 180 4PX 0.00121 0.00521 0.00222 -0.01726 0.12304 181 4PY 0.04347 -0.01923 -0.00032 0.06966 0.02706 182 4PZ 0.18901 0.00721 -0.00102 -0.01813 -0.01163 183 5PX 0.00076 0.02610 0.00084 0.02325 0.08681 184 5PY 0.03748 -0.10724 0.00261 -0.09626 0.01917 185 5PZ 0.16012 0.02542 -0.00139 0.02087 -0.00822 186 10 O 1S -0.00002 0.01981 -0.00012 -0.01947 -0.00011 187 2S 0.00005 -0.04926 0.00018 0.06056 0.00030 188 3S 0.00015 -0.14150 0.00143 0.08015 0.00066 189 4PX -0.00041 -0.00118 -0.00031 0.00495 -0.04026 190 4PY -0.01733 0.00455 0.00021 -0.02009 -0.00880 191 4PZ -0.07568 -0.00183 0.00011 0.00493 0.00373 192 5PX -0.00046 -0.00272 -0.00068 0.00631 -0.04833 193 5PY -0.01926 0.01060 0.00009 -0.02570 -0.01069 194 5PZ -0.08377 -0.00344 0.00033 0.00646 0.00460 101 102 103 104 105 V V V V V EIGENVALUES -- 0.03855 0.04170 0.04187 0.04860 0.05465 1 1 Cu 1S 0.00010 -0.00014 0.00004 0.00701 -0.00115 2 2S 0.00252 -0.00380 0.00114 0.20122 -0.04201 3 3S 0.01922 -0.05747 0.01825 1.88388 -0.87716 4 4PX 0.00015 0.00009 -0.00185 0.00093 0.00291 5 4PY 0.00198 0.00021 -0.00033 -0.00389 -0.01491 6 4PZ 0.00652 0.00201 0.00016 0.00114 0.00065 7 5PX -0.00166 -0.00180 0.00127 0.01575 -0.00591 8 5PY -0.01081 0.00553 -0.00115 -0.06240 0.03777 9 5PZ -0.04232 -0.00051 -0.00070 0.01371 0.00512 10 6PX 0.12853 -0.02891 -0.99130 -0.41351 0.44547 11 6PY 0.75068 0.17409 -0.21671 1.83637 -1.22980 12 6PZ 3.13347 1.08907 0.00978 -0.37225 0.74315 13 7D 0 0.02583 0.01159 -0.00330 -0.03534 0.01704 14 7D+1 0.01137 0.00542 0.00720 0.00688 -0.00249 15 7D-1 -0.00890 -0.00389 0.00061 -0.02867 0.01191 16 7D+2 -0.00959 -0.00288 -0.00265 -0.05965 0.02418 17 7D-2 -0.00480 -0.00056 0.00914 -0.03086 0.01226 18 8D 0 0.00767 0.00528 -0.00135 -0.01253 0.00707 19 8D+1 0.00374 0.00249 0.00255 0.00251 -0.00120 20 8D-1 -0.00582 -0.00317 0.00007 -0.01032 0.00530 21 8D+2 -0.00147 -0.00051 -0.00193 -0.02143 0.01116 22 8D-2 -0.00117 0.00002 0.00524 -0.01111 0.00570 23 2 Cu 1S 0.00085 0.00094 0.00109 -0.00367 -0.00184 24 2S 0.05020 0.05724 0.07246 -0.05522 -0.05523 25 3S 0.28552 0.62105 0.78139 -0.78223 -0.83327 26 4PX 0.00629 -0.00804 -0.00455 0.02279 0.01502 27 4PY 0.00513 -0.00251 0.00038 0.01240 -0.04871 28 4PZ -0.00238 0.00015 0.00802 -0.02223 0.00593 29 5PX -0.05202 0.00005 -0.02558 -0.09399 -0.04884 30 5PY -0.00929 0.03518 0.02865 -0.07798 0.21186 31 5PZ 0.01264 0.01917 -0.01497 0.10063 -0.03645 32 6PX -1.17574 -0.09503 -0.41175 -0.05872 0.23006 33 6PY -0.86201 0.56353 0.59343 -0.73671 -0.09258 34 6PZ -0.02634 0.19452 -0.21248 0.36217 -0.25327 35 7D 0 -0.00727 -0.01837 -0.01272 -0.01159 0.01413 36 7D+1 0.00586 -0.00352 0.01447 0.01050 -0.00358 37 7D-1 -0.02445 0.01879 -0.01348 0.00718 0.00097 38 7D+2 0.03130 -0.02680 -0.01107 -0.01338 0.02106 39 7D-2 -0.02172 -0.00608 -0.03423 -0.01981 0.02370 40 8D 0 -0.00326 -0.00523 -0.00535 -0.00060 0.00775 41 8D+1 -0.00010 -0.00308 -0.00078 0.00573 0.00016 42 8D-1 -0.00214 0.00352 -0.00126 0.00340 -0.00037 43 8D+2 0.00472 -0.00455 -0.00229 -0.00154 0.00804 44 8D-2 -0.00646 -0.00515 -0.01083 -0.00255 0.01217 45 3 Cu 1S 0.00005 -0.00102 -0.00135 -0.00196 -0.00093 46 2S -0.04035 -0.10172 -0.13618 -0.09943 0.03988 47 3S -0.57828 -1.34233 -1.78934 -0.41701 0.69873 48 4PX -0.03348 0.00792 -0.00185 -0.00791 -0.04216 49 4PY -0.01423 0.01643 0.01469 0.00272 0.03379 50 4PZ -0.02824 0.00115 -0.01640 0.00607 0.01623 51 5PX 0.14437 -0.04024 0.07429 0.08730 0.22600 52 5PY 0.09046 -0.05267 -0.00318 -0.12339 -0.23835 53 5PZ 0.07290 -0.08946 0.05859 -0.02154 -0.06271 54 6PX 1.76754 -0.12664 0.45503 1.34635 -0.00595 55 6PY -1.14100 -0.87032 -0.73157 0.09251 -0.71326 56 6PZ 0.11292 -0.27550 0.54109 -1.10104 0.25159 57 7D 0 -0.00490 -0.03013 0.01931 0.01009 -0.00534 58 7D+1 0.02430 0.00960 -0.00367 -0.01254 -0.01219 59 7D-1 0.00128 -0.01665 -0.01896 0.03369 0.00638 60 7D+2 0.02234 -0.00181 -0.02799 0.04364 0.00636 61 7D-2 0.00954 0.02046 0.00263 -0.00888 -0.01024 62 8D 0 -0.00332 -0.00676 0.00830 0.00607 -0.00361 63 8D+1 0.00804 0.00725 0.00373 -0.00054 -0.00500 64 8D-1 0.00134 -0.00432 -0.00268 0.00567 0.00078 65 8D+2 0.00416 0.00096 -0.00771 0.01043 -0.00035 66 8D-2 0.00597 0.00746 0.00409 0.00481 -0.00587 67 4 Cu 1S 0.00008 -0.00074 0.00151 -0.00199 -0.00091 68 2S -0.03339 -0.06646 0.15481 -0.09918 0.04168 69 3S -0.48439 -0.87461 2.03856 -0.40883 0.72236 70 4PX 0.02656 -0.01083 0.01172 0.00761 0.02843 71 4PY -0.00228 0.00850 -0.01584 0.00586 0.04854 72 4PZ -0.04062 0.00732 0.01367 0.00332 0.00604 73 5PX -0.13354 0.04251 0.03779 -0.03275 -0.12181 74 5PY 0.02916 -0.03086 0.03710 -0.14740 -0.31029 75 5PZ 0.13186 -0.11296 -0.05073 -0.00136 -0.01246 76 6PX -0.95461 0.38418 -0.13490 -1.54200 0.32736 77 6PY -1.43777 -0.49564 0.96937 -0.52888 -0.74251 78 6PZ 0.61577 -0.46953 -0.49907 -0.62034 0.18808 79 7D 0 0.00551 -0.02540 -0.00554 0.00899 -0.00976 80 7D+1 -0.02596 -0.02363 -0.01968 -0.00572 0.00423 81 7D-1 -0.01146 -0.01398 0.01215 0.02558 0.00542 82 7D+2 0.01451 0.01458 0.00839 0.01975 -0.00171 83 7D-2 0.00564 -0.01441 0.02905 0.04671 0.01440 84 8D 0 0.00019 -0.00469 -0.00740 0.00639 -0.00572 85 8D+1 -0.00956 -0.00903 -0.00110 -0.00183 0.00276 86 8D-1 -0.00157 -0.00523 0.00203 0.00518 0.00072 87 8D+2 0.00457 0.00492 0.00098 0.00976 -0.00358 88 8D-2 -0.00173 -0.00413 0.01033 0.00584 0.00448 89 5 Cu 1S -0.00167 -0.00142 0.00016 -0.00363 -0.00175 90 2S -0.09317 -0.09360 0.01030 -0.05453 -0.05631 91 3S -0.51417 -0.99159 0.11466 -0.79384 -0.89324 92 4PX -0.00005 0.00193 0.00643 0.00041 0.01189 93 4PY -0.00806 0.00240 0.00117 0.01856 -0.04536 94 4PZ -0.00949 0.00960 -0.00219 0.02883 0.01824 95 5PX 0.01164 0.00662 -0.03299 0.00333 -0.04999 96 5PY 0.01295 -0.03844 -0.00206 -0.10366 0.20246 97 5PZ 0.08278 0.02431 0.00210 -0.11813 -0.05860 98 6PX 0.00441 0.17894 -0.39075 0.13531 -0.00423 99 6PY 1.37252 -0.73850 0.00347 -0.83248 0.22604 100 6PZ 1.47410 0.43373 0.00682 -0.15817 0.43001 101 7D 0 -0.02457 0.01364 -0.00444 -0.00887 0.00683 102 7D+1 -0.00983 -0.00671 0.01011 0.00429 -0.00521 103 7D-1 0.00696 0.03644 0.00258 -0.02487 0.02257 104 7D+2 -0.00121 0.02327 0.01217 -0.00592 0.01693 105 7D-2 0.00367 0.01167 -0.03156 -0.00646 0.01090 106 8D 0 -0.00686 -0.00216 -0.00022 -0.00398 0.00099 107 8D+1 -0.00389 -0.00405 0.00208 -0.00023 -0.00353 108 8D-1 0.00709 0.01161 -0.00034 -0.00530 0.01179 109 8D+2 0.00141 0.00744 0.00139 0.00266 0.00851 110 8D-2 0.00219 0.00448 -0.00516 0.00035 0.00556 111 6 Cu 1S -0.00005 0.00007 -0.00003 -0.00429 0.00052 112 2S 0.00131 -0.00195 0.00038 0.10727 0.07381 113 3S 0.01709 -0.03843 0.00969 2.46613 1.46427 114 4PX -0.00027 0.00059 0.02067 0.00420 0.01700 115 4PY -0.00015 -0.00449 0.00498 -0.01739 -0.07027 116 4PZ -0.00064 -0.02031 -0.00053 0.00365 0.01550 117 5PX 0.00049 -0.00312 -0.08231 0.02464 -0.07462 118 5PY -0.00915 0.02079 -0.02084 -0.09887 0.30989 119 5PZ -0.02935 0.07828 0.00222 0.02372 -0.06740 120 6PX -0.09695 0.01704 0.92560 0.35291 0.05468 121 6PY -0.50923 -0.20009 0.21193 -1.45577 -0.32208 122 6PZ -2.06649 -1.01204 -0.03360 0.32265 0.01151 123 7D 0 0.00060 -0.05873 0.01812 -0.02386 -0.00023 124 7D+1 -0.00623 -0.02954 -0.04065 0.00444 0.00073 125 7D-1 0.06597 0.02803 -0.00349 -0.01872 -0.00247 126 7D+2 -0.03073 0.01625 0.01453 -0.03780 -0.00225 127 7D-2 -0.00612 0.00487 -0.05516 -0.01985 -0.00168 128 8D 0 -0.00147 -0.01032 0.00280 -0.00835 -0.00375 129 8D+1 -0.00164 -0.00537 -0.00578 0.00160 0.00099 130 8D-1 0.01095 0.00718 -0.00033 -0.00670 -0.00375 131 8D+2 -0.00456 0.00210 0.00359 -0.01381 -0.00712 132 8D-2 -0.00082 0.00062 -0.01133 -0.00726 -0.00383 133 7 Cu 1S 0.00071 0.00061 -0.00128 -0.00369 -0.00185 134 2S 0.04251 0.03789 -0.08291 -0.05497 -0.05570 135 3S 0.24050 0.41154 -0.90577 -0.76974 -0.83139 136 4PX -0.00715 0.00634 -0.00810 -0.03104 0.00792 137 4PY 0.00197 0.00017 -0.00245 0.00108 -0.05036 138 4PZ 0.00054 -0.00350 -0.00578 -0.01390 0.00746 139 5PX 0.04625 -0.01043 -0.00416 0.14168 -0.05109 140 5PY 0.00942 0.02318 -0.04391 -0.02825 0.21163 141 5PZ -0.00741 0.02317 0.01462 0.06449 -0.03840 142 6PX 1.22668 -0.12133 -0.03493 0.45431 -0.20304 143 6PY -0.29017 0.39850 -0.80952 -0.64026 -0.22583 144 6PZ -0.54380 0.22796 0.23109 0.26686 -0.15258 145 7D 0 -0.00339 -0.01559 0.01129 -0.00581 0.01332 146 7D+1 -0.00348 -0.00492 0.00532 -0.00981 0.00071 147 7D-1 -0.03804 0.02386 0.01877 -0.00168 0.00582 148 7D+2 0.00724 -0.01672 0.03781 -0.02698 0.03250 149 7D-2 0.02836 -0.01246 -0.00540 0.00301 0.00125 150 8D 0 -0.00254 -0.00453 0.00689 0.00233 0.00779 151 8D+1 -0.00084 0.00019 -0.00094 -0.00507 -0.00009 152 8D-1 -0.00504 0.00393 0.00254 0.00040 0.00188 153 8D+2 -0.00092 -0.00444 0.01032 -0.00469 0.01445 154 8D-2 0.00636 -0.00008 -0.00513 0.00043 -0.00197 155 8 Cu 1S -0.00004 0.00173 -0.00015 -0.00192 -0.00097 156 2S 0.06887 0.17348 -0.02016 -0.09732 0.03229 157 3S 1.00977 2.26513 -0.26690 -0.39126 0.58559 158 4PX 0.00478 0.00276 -0.01486 -0.00147 -0.01310 159 4PY 0.00339 -0.02375 -0.00032 -0.00015 0.02796 160 4PZ 0.01696 -0.00590 0.00287 -0.01068 -0.04664 161 5PX -0.00849 0.00179 0.13793 0.03674 0.08354 162 5PY -0.09581 0.03229 0.02577 -0.10432 -0.21121 163 5PZ -0.11255 -0.04210 -0.01596 0.10300 0.25338 164 6PX -0.90835 -0.21284 0.74286 0.17183 0.02347 165 6PY 2.10225 1.14008 0.01789 0.45061 -0.41886 166 6PZ -2.80751 -0.33168 -0.05572 1.69706 -0.37723 167 7D 0 0.01632 0.02228 0.00737 0.04011 0.01787 168 7D+1 0.00928 0.00150 -0.03747 0.00646 0.00692 169 7D-1 0.00006 -0.01910 -0.00352 -0.01140 -0.00790 170 7D+2 -0.03794 0.02092 -0.00193 0.03809 -0.00037 171 7D-2 -0.01646 0.00432 -0.01691 0.01478 -0.00144 172 8D 0 0.00896 0.01139 0.00180 0.00587 0.00512 173 8D+1 0.00382 0.00280 -0.01200 -0.00125 0.00292 174 8D-1 -0.00125 -0.00646 -0.00127 0.00387 -0.00434 175 8D+2 -0.00980 -0.00009 -0.00060 0.01103 -0.00353 176 8D-2 -0.00469 -0.00144 -0.00301 0.00552 -0.00225 177 9 C 1S 0.00048 -0.00044 0.00012 0.03357 -0.02013 178 2S -0.00097 0.00031 -0.00006 -0.06342 0.05344 179 3S -0.00317 0.00488 -0.00130 -0.33098 0.07205 180 4PX 0.00477 0.00199 0.07566 0.01165 -0.00606 181 4PY 0.02981 -0.01584 0.01816 -0.05199 0.01102 182 4PZ 0.12599 -0.06920 -0.00161 0.00919 -0.01224 183 5PX 0.00359 0.00035 0.05222 0.02406 -0.02891 184 5PY 0.02086 -0.00631 0.01129 -0.10337 0.10257 185 5PZ 0.08907 -0.04851 -0.00065 0.02086 -0.03475 186 10 O 1S -0.00055 0.00081 -0.00022 -0.00929 0.02303 187 2S 0.00154 -0.00243 0.00066 0.02822 -0.06988 188 3S 0.00324 -0.00360 0.00098 0.04814 -0.09344 189 4PX -0.00191 0.00059 0.03107 -0.01052 0.00093 190 4PY -0.00908 -0.00757 0.00736 0.04300 0.00292 191 4PZ -0.03984 -0.03327 -0.00125 -0.01042 0.00442 192 5PX -0.00199 -0.00030 -0.00148 -0.00630 -0.00282 193 5PY -0.01162 0.00028 -0.00057 0.02673 0.01836 194 5PZ -0.04867 -0.00121 -0.00023 -0.00579 0.00043 106 107 108 109 110 V V V V V EIGENVALUES -- 0.05741 0.05766 0.06813 0.06844 0.07373 1 1 Cu 1S 0.00006 0.00002 -0.00001 -0.00001 0.00005 2 2S 0.00113 -0.00013 -0.00046 -0.00024 -0.00101 3 3S 0.02111 -0.00023 0.00193 -0.00288 0.01646 4 4PX 0.00231 -0.04745 0.00367 -0.05071 0.01199 5 4PY -0.00905 -0.01121 -0.01082 -0.01263 0.00367 6 4PZ -0.04713 -0.00013 -0.05213 -0.00095 0.00069 7 5PX -0.01352 0.24593 -0.02651 0.38699 -0.08788 8 5PY 0.04911 0.05965 0.07859 0.09526 -0.03458 9 5PZ 0.24418 0.00112 0.39550 0.00729 -0.00358 10 6PX -0.37321 7.39752 0.23950 -4.28247 -0.20943 11 6PY 1.70954 1.81429 -0.85295 -1.04474 0.05890 12 6PZ 7.61579 -0.06640 -4.31071 -0.02617 -0.12256 13 7D 0 0.03299 0.01116 -0.01333 -0.01437 -0.00055 14 7D+1 0.01769 -0.02284 -0.00546 0.04486 -0.00330 15 7D-1 -0.01368 -0.00299 -0.05240 0.00649 -0.00001 16 7D+2 -0.01270 0.00766 0.02710 0.02565 -0.00879 17 7D-2 -0.00297 -0.03154 0.01067 -0.02851 0.01719 18 8D 0 0.00643 0.00180 0.00074 -0.00152 -0.00039 19 8D+1 0.00369 -0.00297 0.00069 0.00624 -0.00138 20 8D-1 -0.00525 -0.00036 -0.01148 0.00092 -0.00013 21 8D+2 -0.00184 0.00269 0.00412 0.00568 -0.00387 22 8D-2 -0.00030 -0.00809 0.00187 -0.00863 0.00698 23 2 Cu 1S -0.00085 0.00121 -0.00184 0.00220 -0.00170 24 2S 0.00792 -0.00399 0.03711 -0.04650 -0.00535 25 3S 0.57079 -0.59177 1.23388 -1.54659 0.53953 26 4PX -0.03203 0.00744 -0.02895 0.05579 -0.00494 27 4PY -0.01557 0.00709 0.02676 -0.02192 0.02183 28 4PZ -0.00508 -0.03598 0.03483 -0.01351 -0.00214 29 5PX 0.14688 -0.01172 0.11309 -0.25788 -0.03174 30 5PY 0.06476 -0.01025 -0.12445 0.08798 -0.04957 31 5PZ 0.05641 0.16338 -0.17502 0.04319 0.03374 32 6PX -1.05480 -0.00200 0.09018 0.04868 -1.11886 33 6PY -1.82540 1.58982 1.65885 -2.00950 -1.25899 34 6PZ 0.07498 -1.77989 -0.50570 0.91127 0.60677 35 7D 0 -0.02884 -0.04098 -0.01951 0.00344 0.00432 36 7D+1 -0.00200 0.01824 -0.00231 0.01281 -0.01180 37 7D-1 0.00420 -0.00682 -0.00466 -0.00676 -0.00257 38 7D+2 0.03198 -0.01192 0.00531 0.01312 0.02405 39 7D-2 0.02305 0.00088 -0.01406 0.02050 -0.00822 40 8D 0 -0.00573 -0.00675 -0.00523 0.00206 -0.00286 41 8D+1 -0.00215 0.00605 -0.00733 0.00994 -0.00400 42 8D-1 -0.00104 -0.00045 -0.00036 -0.00031 0.00125 43 8D+2 0.00606 -0.00179 0.00300 -0.00102 0.00252 44 8D-2 0.00318 -0.00027 -0.00425 0.00695 -0.00796 45 3 Cu 1S 0.00026 -0.00022 -0.00308 0.00380 0.00233 46 2S 0.04949 -0.06723 -0.03514 0.04527 -0.05682 47 3S 0.77291 -1.06602 0.00982 0.03813 -1.35338 48 4PX -0.01273 0.00419 0.01981 -0.01388 -0.00195 49 4PY -0.01694 0.01026 -0.03249 0.04524 -0.01524 50 4PZ -0.00129 -0.02079 0.01070 0.00222 -0.00277 51 5PX 0.03019 0.04846 -0.12931 0.13881 0.07203 52 5PY 0.11689 -0.07020 0.18662 -0.23955 0.15391 53 5PZ 0.05118 0.08573 -0.00240 -0.02714 0.00615 54 6PX 1.76750 -2.99290 -2.16756 3.19662 2.13860 55 6PY -3.01251 3.37920 3.02070 -3.50702 2.53234 56 6PZ -1.01364 0.16608 0.91755 -0.55279 -1.08182 57 7D 0 -0.01644 -0.00765 -0.01079 -0.00724 -0.00134 58 7D+1 0.00026 -0.01664 -0.00529 -0.00509 -0.00141 59 7D-1 0.01101 0.02731 0.01479 0.01208 0.00408 60 7D+2 -0.02623 0.00929 -0.00943 -0.00574 -0.01866 61 7D-2 0.02027 0.01080 0.01048 0.01109 -0.03089 62 8D 0 -0.00019 0.00174 0.00076 -0.00001 0.00550 63 8D+1 -0.00253 -0.00170 -0.00478 0.00051 0.00337 64 8D-1 0.00275 0.00555 0.00405 0.00438 -0.00057 65 8D+2 -0.00589 -0.00045 -0.00277 -0.00479 -0.00333 66 8D-2 0.00213 0.00241 0.00280 0.00102 -0.00091 67 4 Cu 1S 0.00017 0.00031 -0.00173 -0.00462 -0.00297 68 2S 0.02949 0.07792 -0.02055 -0.05380 0.07164 69 3S 0.45867 1.22232 -0.00941 -0.02164 1.70830 70 4PX 0.01281 0.01752 -0.00355 0.00462 -0.00565 71 4PY -0.00764 -0.01063 -0.01975 -0.05638 0.01604 72 4PZ -0.01067 0.01609 0.01289 0.00317 0.00024 73 5PX -0.05234 -0.02347 0.02683 0.04349 0.12136 74 5PY 0.06615 0.11278 0.12017 0.33132 -0.13851 75 5PZ 0.08711 -0.07226 -0.02373 -0.00539 0.01584 76 6PX -0.22534 -1.43135 0.43265 1.79243 3.54587 77 6PY -2.20583 -5.01140 2.09684 5.43077 -1.65748 78 6PZ -0.75279 0.25994 0.47292 -0.01954 1.13393 79 7D 0 -0.01662 0.00580 -0.01308 0.00345 0.01153 80 7D+1 -0.01053 0.00188 -0.00698 0.00197 -0.00058 81 7D-1 0.02540 -0.02387 0.02209 -0.00859 0.00184 82 7D+2 -0.00155 -0.01340 0.00048 -0.00255 0.03872 83 7D-2 -0.02567 -0.01736 -0.01105 0.00412 -0.00939 84 8D 0 -0.00108 -0.00170 -0.00115 -0.00084 -0.00512 85 8D+1 0.00161 0.00065 0.00218 0.00179 0.00167 86 8D-1 0.00646 -0.00454 0.00771 -0.00238 0.00096 87 8D+2 -0.00192 -0.00145 -0.00040 0.00330 0.00254 88 8D-2 -0.00428 -0.00126 -0.00282 0.00223 0.00304 89 5 Cu 1S 0.00153 0.00028 0.00276 0.00047 -0.00050 90 2S -0.00287 -0.00057 -0.05903 -0.00975 -0.00179 91 3S -0.71994 -0.11466 -1.96176 -0.33355 0.12867 92 4PX 0.00398 -0.03293 0.01139 0.02496 0.00126 93 4PY 0.02655 -0.00300 -0.02213 0.00108 0.00553 94 4PZ 0.02943 0.00926 0.07272 0.00856 -0.00215 95 5PX -0.02545 0.18057 -0.04434 -0.14402 -0.00583 96 5PY -0.09500 0.02251 0.09525 -0.01210 -0.01475 97 5PZ -0.11447 -0.04351 -0.32085 -0.03241 -0.00639 98 6PX -0.22172 -1.39545 0.49271 0.29102 -0.76508 99 6PY 2.69332 0.07607 -2.71860 -0.39037 -0.56348 100 6PZ 0.89587 0.32029 -0.18338 -0.06141 -0.15793 101 7D 0 -0.02379 -0.01583 -0.01004 -0.00644 0.00444 102 7D+1 -0.00576 0.04789 -0.01268 0.01659 0.00755 103 7D-1 -0.02042 0.00395 0.02007 0.00782 0.00490 104 7D+2 -0.02179 -0.00584 0.01431 0.00642 0.00968 105 7D-2 -0.01606 0.02092 0.01004 -0.00059 -0.01599 106 8D 0 -0.00640 -0.00332 -0.01241 -0.00282 0.00149 107 8D+1 -0.00156 0.00886 -0.00548 0.00226 0.00150 108 8D-1 -0.00564 0.00072 0.00343 0.00114 -0.00091 109 8D+2 -0.00195 -0.00018 0.00623 0.00112 0.00075 110 8D-2 -0.00210 0.00269 0.00320 0.00147 -0.00307 111 6 Cu 1S 0.00000 0.00002 -0.00009 -0.00003 -0.00015 112 2S -0.00349 -0.00142 0.00075 0.00022 -0.00033 113 3S -0.07625 -0.03417 0.04028 0.01621 0.03367 114 4PX -0.00116 0.00107 -0.00341 0.05459 0.01804 115 4PY 0.00399 0.00161 0.01109 0.01326 0.00465 116 4PZ -0.00010 -0.00005 0.05462 0.00068 0.00078 117 5PX 0.00503 0.00286 0.01896 -0.29864 -0.06635 118 5PY -0.01706 -0.00501 -0.06241 -0.07340 -0.01916 119 5PZ 0.00816 0.00010 -0.29733 -0.00355 -0.00265 120 6PX -0.00003 -0.88376 -0.12444 2.11092 -3.45788 121 6PY -0.20518 -0.19744 0.44684 0.51946 -0.85486 122 6PZ -0.97165 0.04341 2.12586 0.01812 -0.11961 123 7D 0 0.01519 0.00251 0.02420 0.00672 -0.00271 124 7D+1 0.00854 0.00030 0.01354 -0.00817 -0.00216 125 7D-1 -0.02458 0.00051 -0.02213 -0.00065 0.00020 126 7D+2 0.00250 0.01316 -0.00241 0.01148 -0.01481 127 7D-2 0.00223 -0.02858 0.00114 -0.03082 0.03103 128 8D 0 0.00737 0.00210 0.00840 0.00203 0.00036 129 8D+1 0.00382 -0.00305 0.00476 -0.00187 -0.00125 130 8D-1 -0.00602 -0.00020 -0.00957 -0.00011 -0.00015 131 8D+2 -0.00056 0.00353 -0.00025 0.00491 -0.00077 132 8D-2 0.00034 -0.00925 0.00065 -0.01220 0.00077 133 7 Cu 1S -0.00042 -0.00141 -0.00102 -0.00271 0.00192 134 2S 0.00503 0.00764 0.02068 0.05541 0.00534 135 3S 0.32950 0.77716 0.67566 1.85473 -0.73925 136 4PX 0.02566 0.02815 0.00872 0.04945 0.00498 137 4PY -0.00191 -0.00063 0.02231 0.05269 -0.02735 138 4PZ -0.02336 0.02637 0.02558 0.00717 0.00393 139 5PX -0.11627 -0.09712 -0.02678 -0.22354 -0.06962 140 5PY 0.00527 -0.00753 -0.10089 -0.22942 0.03614 141 5PZ 0.13778 -0.11699 -0.14193 -0.02056 -0.03045 142 6PX 1.27535 1.54105 -0.53270 -1.23407 -1.85491 143 6PY -0.82539 -1.62866 0.83234 2.17604 0.73966 144 6PZ -0.78344 1.44004 -0.11967 -0.84204 -0.58393 145 7D 0 -0.03020 0.02045 -0.01506 -0.01560 0.00265 146 7D+1 -0.03139 0.01986 -0.00864 0.00962 -0.00835 147 7D-1 -0.00250 0.01434 -0.01160 0.00436 -0.00499 148 7D+2 0.02998 0.02176 0.00020 -0.02226 -0.01544 149 7D-2 0.00345 0.01673 0.00820 0.01067 -0.02512 150 8D 0 -0.00616 0.00124 -0.00550 -0.00876 0.00594 151 8D+1 -0.00460 0.00617 0.00063 0.00799 -0.00229 152 8D-1 -0.00178 0.00263 -0.00033 0.00193 -0.00129 153 8D+2 0.00545 0.00450 0.00085 -0.00194 0.00446 154 8D-2 0.00121 0.00303 0.00327 0.00829 -0.00897 155 8 Cu 1S -0.00026 -0.00002 0.00474 0.00078 0.00059 156 2S -0.08657 -0.01217 0.05501 0.00866 -0.01381 157 3S -1.36886 -0.19890 0.01411 -0.00254 -0.32831 158 4PX 0.00096 -0.01645 -0.01629 0.00960 -0.01077 159 4PY 0.01943 -0.00043 0.05291 0.01149 -0.00596 160 4PZ 0.01810 0.00531 -0.02341 -0.00564 0.00190 161 5PX 0.00709 0.11585 0.09055 -0.01042 0.12900 162 5PY -0.11156 0.00645 -0.27821 -0.05256 0.06358 163 5PZ -0.00296 -0.01853 0.20579 0.03769 -0.01042 164 6PX -1.29181 -1.04964 1.39167 0.74692 1.63820 165 6PY 4.12337 0.34417 -3.96281 -0.53363 0.94264 166 6PZ -3.91130 -0.38635 4.32411 0.62439 0.31519 167 7D 0 0.02469 0.00372 0.00117 0.00088 0.00507 168 7D+1 0.00430 0.00054 -0.00052 -0.00080 -0.01974 169 7D-1 -0.00067 -0.00611 0.00311 -0.00447 -0.00950 170 7D+2 0.01783 -0.01459 0.00340 -0.01213 -0.00338 171 7D-2 0.00046 0.03912 -0.00380 0.02696 -0.01250 172 8D 0 0.00131 0.00146 -0.00350 0.00086 0.00058 173 8D+1 0.00031 -0.00472 0.00033 -0.00487 -0.00700 174 8D-1 0.00062 -0.00195 -0.00202 -0.00250 -0.00062 175 8D+2 0.00461 -0.00286 0.00102 -0.00349 0.00089 176 8D-2 0.00086 0.00624 -0.00120 0.00603 -0.00425 177 9 C 1S 0.00130 0.00034 -0.00016 -0.00007 -0.00016 178 2S -0.00386 -0.00117 0.00074 0.00026 0.00076 179 3S -0.00404 0.00019 -0.00029 0.00013 0.00130 180 4PX 0.00994 -0.19155 0.00254 -0.02320 -0.06314 181 4PY -0.04286 -0.04680 -0.00512 -0.00570 -0.01440 182 4PZ -0.19122 0.00067 -0.02642 -0.00103 -0.00159 183 5PX 0.01250 -0.22107 0.00372 -0.03336 -0.06883 184 5PY -0.05396 -0.05513 -0.00871 -0.00859 -0.02306 185 5PZ -0.22149 0.00136 -0.03560 -0.00140 0.00020 186 10 O 1S -0.00134 -0.00041 0.00003 0.00003 -0.00051 187 2S 0.00401 0.00124 -0.00002 -0.00008 0.00170 188 3S 0.00565 0.00164 -0.00036 -0.00017 0.00128 189 4PX -0.00372 0.07608 0.00015 -0.01022 -0.01975 190 4PY 0.01642 0.01837 -0.00194 -0.00257 -0.00575 191 4PZ 0.07633 -0.00022 -0.00914 -0.00006 -0.00107 192 5PX -0.00403 0.08533 -0.00095 0.00682 0.01095 193 5PY 0.01767 0.02021 0.00138 0.00170 0.00115 194 5PZ 0.08555 -0.00020 0.00817 0.00030 0.00017 111 112 113 114 115 V V V V V EIGENVALUES -- 0.07380 0.07714 0.08134 0.08266 0.09228 1 1 Cu 1S -0.00010 0.00679 -0.00230 0.00044 -0.00003 2 2S 0.00227 0.03063 -0.09193 0.02510 -0.00087 3 3S -0.02329 2.18010 -1.14112 0.26746 0.01602 4 4PX 0.00165 -0.00740 -0.00247 0.00114 -0.00193 5 4PY -0.00357 0.02989 0.01121 -0.00415 -0.01224 6 4PZ -0.01240 -0.00679 -0.00201 0.00066 -0.05069 7 5PX -0.01610 0.15010 0.07559 -0.02807 0.01065 8 5PY 0.04266 -0.61459 -0.31347 0.11314 0.04834 9 5PZ 0.08794 0.13890 0.06846 -0.02449 0.22252 10 6PX -0.01190 -1.77306 -0.90085 0.32534 0.02269 11 6PY -0.20755 7.33164 3.82159 -1.43484 -0.02204 12 6PZ 0.42820 -1.57890 -0.76134 0.30617 -0.49736 13 7D 0 0.00728 -0.00612 0.00653 -0.00153 -0.05410 14 7D+1 0.00416 0.00140 -0.00148 -0.00002 -0.01858 15 7D-1 -0.01709 -0.00530 0.00534 -0.00136 -0.03121 16 7D+2 0.00259 -0.01073 0.01032 -0.00232 0.03927 17 7D-2 0.00243 -0.00569 0.00538 -0.00129 0.01276 18 8D 0 0.00331 -0.01147 0.00128 0.00003 -0.01552 19 8D+1 0.00169 0.00244 -0.00025 -0.00013 -0.00562 20 8D-1 -0.00688 -0.00977 0.00086 0.00006 -0.00629 21 8D+2 0.00161 -0.01983 0.00190 0.00018 0.00996 22 8D-2 0.00129 -0.01039 0.00091 0.00005 0.00338 23 2 Cu 1S -0.00118 -0.00363 -0.00436 0.00139 -0.00081 24 2S -0.00370 -0.00331 -0.05483 0.01605 -0.06491 25 3S 0.53937 -0.79335 -1.68271 0.53083 -1.97980 26 4PX -0.00715 0.00733 0.00005 -0.00246 -0.00753 27 4PY 0.01713 -0.00314 0.00090 -0.00181 -0.01263 28 4PZ -0.00436 -0.00465 -0.00106 -0.00191 0.04297 29 5PX -0.02211 0.04392 0.04373 -0.00729 0.08413 30 5PY -0.03369 0.01026 -0.07974 0.03116 0.07394 31 5PZ 0.03891 -0.03588 -0.00315 0.00888 -0.31004 32 6PX -0.34086 0.29042 -0.46128 1.29881 -0.15782 33 6PY -0.67303 -2.72850 -0.96748 1.01046 -0.17989 34 6PZ 1.35184 0.99951 1.48492 1.09441 1.57342 35 7D 0 -0.00017 0.00399 -0.01779 0.00292 0.00688 36 7D+1 -0.01777 -0.01199 -0.04313 0.00112 -0.01773 37 7D-1 0.01723 -0.00601 -0.00426 0.02458 -0.00152 38 7D+2 0.00758 0.00428 -0.00575 -0.01570 0.00874 39 7D-2 0.00456 0.01049 -0.01572 0.01781 -0.01283 40 8D 0 -0.00351 0.00010 0.00072 -0.00017 0.00365 41 8D+1 -0.00466 -0.00041 -0.00306 -0.00015 -0.00314 42 8D-1 0.00379 0.00236 0.00039 0.00165 0.00132 43 8D+2 0.00030 0.00195 0.00187 -0.00206 0.00129 44 8D-2 -0.00497 -0.00136 0.00137 0.00060 0.00055 45 3 Cu 1S 0.00208 -0.00011 -0.00146 0.00043 -0.00101 46 2S -0.05034 0.01637 -0.00245 -0.00001 -0.00976 47 3S -1.20347 0.08999 0.74732 -0.25515 -0.36045 48 4PX 0.00776 -0.02519 0.01398 0.00387 -0.00742 49 4PY -0.00769 -0.01155 -0.00339 0.00565 -0.00412 50 4PZ 0.00900 0.02504 -0.00293 0.01039 0.00662 51 5PX -0.04834 0.15265 -0.01619 -0.02669 0.05895 52 5PY 0.07827 0.02152 -0.10508 0.01581 0.02803 53 5PZ -0.13380 -0.13442 0.02607 -0.04207 -0.02436 54 6PX 0.50523 1.02295 1.86988 -4.03475 2.24176 55 6PY 1.36191 0.19540 -2.21290 -1.20701 -4.09296 56 6PZ -2.69861 -1.11548 -2.71166 -3.73126 0.48032 57 7D 0 -0.02937 -0.00489 -0.01109 -0.02893 -0.02540 58 7D+1 0.00742 -0.02932 -0.00240 0.00705 0.02022 59 7D-1 0.00340 -0.00640 -0.02509 0.00979 -0.02866 60 7D+2 -0.00470 0.01054 -0.01683 0.01454 -0.01426 61 7D-2 -0.01509 -0.00147 0.01879 0.00944 -0.01007 62 8D 0 -0.00477 -0.00104 0.00006 -0.00126 -0.00582 63 8D+1 0.00501 -0.00795 0.00111 0.00037 0.00523 64 8D-1 0.00083 -0.00673 -0.00740 0.00199 -0.00700 65 8D+2 0.00019 -0.00097 -0.00581 0.00237 -0.00423 66 8D-2 0.00360 0.00320 0.00594 -0.00161 -0.00515 67 4 Cu 1S 0.00103 -0.00009 -0.00144 0.00046 -0.00082 68 2S -0.02541 0.01497 -0.00283 0.00138 -0.00746 69 3S -0.60850 0.05692 0.73945 -0.21922 -0.26427 70 4PX -0.00382 0.03398 -0.00895 0.00704 0.00806 71 4PY -0.00392 0.00048 -0.00974 0.00150 -0.00056 72 4PZ 0.01108 0.01520 -0.00595 -0.01070 0.00312 73 5PX 0.02099 -0.18269 0.05337 -0.03014 -0.05606 74 5PY 0.03338 -0.04571 -0.08260 0.03322 0.00165 75 5PZ -0.13984 -0.08071 0.03874 0.03474 0.00261 76 6PX -0.40907 -1.43238 -2.87792 -1.43369 -0.23285 77 6PY 0.40408 -0.25973 -2.53953 1.45725 -3.80777 78 6PZ -2.11764 -0.55500 0.76412 5.27677 0.76208 79 7D 0 -0.01971 -0.01726 -0.00094 0.02405 -0.01540 80 7D+1 -0.01923 0.02136 0.02025 0.01873 -0.01324 81 7D-1 -0.00455 0.00223 -0.01413 0.00505 -0.03356 82 7D+2 -0.00335 0.01192 -0.00135 -0.01335 -0.01250 83 7D-2 0.00221 0.01172 -0.02753 0.01198 -0.00985 84 8D 0 -0.00380 -0.00525 0.00006 0.00085 -0.00327 85 8D+1 -0.00690 0.00765 0.00270 -0.00004 -0.00242 86 8D-1 -0.00033 -0.00222 -0.00408 0.00190 -0.00884 87 8D+2 0.00222 0.00442 0.00121 -0.00104 -0.00511 88 8D-2 -0.00179 -0.00317 -0.00992 0.00305 -0.00132 89 5 Cu 1S 0.00228 -0.00350 -0.00428 0.00135 0.00148 90 2S 0.00830 -0.00303 -0.05455 0.01704 0.11787 91 3S -0.67447 -0.82698 -1.69636 0.57216 3.49416 92 4PX 0.00702 0.00189 0.00103 0.00271 -0.00421 93 4PY -0.02579 -0.00275 0.00039 0.00063 0.04654 94 4PZ 0.00810 0.00902 -0.00028 -0.00073 0.05041 95 5PX -0.00839 0.00365 0.01790 -0.01460 0.01767 96 5PY 0.06673 0.02383 -0.06957 0.01846 -0.30652 97 5PZ 0.04548 0.05771 0.05636 -0.01810 -0.40197 98 6PX -0.32284 0.57212 -0.42275 -1.88308 -0.06216 99 6PY 1.82252 -2.77436 -1.41360 0.13438 1.21621 100 6PZ 1.42478 0.16169 -0.91430 0.59322 1.72362 101 7D 0 -0.03149 0.00724 0.03118 -0.01342 -0.03645 102 7D+1 -0.00483 -0.00088 0.01756 0.00794 -0.00981 103 7D-1 -0.00282 0.01583 -0.00114 0.00761 0.00217 104 7D+2 -0.00656 -0.00243 -0.02673 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4 Cu 1S 0.00176 0.00015 0.00343 -0.00067 -0.00158 68 2S 0.01648 0.00044 0.00900 -0.00142 0.00173 69 3S 0.58124 -0.02678 -0.80507 0.13651 0.61469 70 4PX -0.01676 -0.01499 -0.06272 -0.03223 -0.01162 71 4PY 0.00183 0.00480 0.02610 0.01015 0.00955 72 4PZ -0.00765 0.02366 -0.02943 0.06837 -0.02729 73 5PX 0.09431 0.12709 0.43647 0.28898 0.13583 74 5PY -0.01157 -0.03529 -0.11300 -0.05811 0.00798 75 5PZ 0.05679 -0.21487 0.19671 -0.58004 0.24004 76 6PX 0.03712 -0.32971 -1.41021 -0.56729 -1.92263 77 6PY 7.54521 0.13648 0.33076 0.27629 -0.99300 78 6PZ -0.65668 0.46745 -0.69348 0.41691 -0.94215 79 7D 0 0.01363 -0.01367 0.00458 0.00681 -0.02356 80 7D+1 -0.00593 -0.02499 -0.01794 0.00869 0.00555 81 7D-1 0.01278 -0.04020 -0.00931 -0.02559 -0.01524 82 7D+2 0.04673 0.01378 -0.03717 -0.00789 -0.03121 83 7D-2 0.03912 0.01266 -0.01936 0.00474 -0.02941 84 8D 0 0.00512 -0.00301 0.00181 0.00275 -0.00698 85 8D+1 -0.00015 -0.00608 -0.00556 0.00440 0.00416 86 8D-1 0.00285 -0.01078 -0.00111 -0.00460 -0.00398 87 8D+2 0.01396 0.00340 -0.00937 -0.00178 -0.00320 88 8D-2 0.00859 0.00363 -0.00257 0.00043 -0.00686 89 5 Cu 1S -0.00009 -0.00007 -0.00128 0.00548 0.00158 90 2S -0.00687 0.00161 0.01190 -0.00900 -0.00182 91 3S -0.18917 0.06134 0.63531 -2.30428 -0.61225 92 4PX -0.02845 0.08092 -0.00325 -0.00955 0.03263 93 4PY -0.00861 0.01422 -0.03607 0.03435 0.01664 94 4PZ 0.00123 -0.01417 -0.03784 0.04555 0.00856 95 5PX 0.19287 -0.67065 0.01636 0.12355 -0.33917 96 5PY 0.05907 -0.11698 0.32075 -0.29522 -0.15532 97 5PZ -0.00712 0.11527 0.26837 -0.25282 -0.02711 98 6PX -1.24865 1.06323 0.11210 0.04972 -1.50675 99 6PY -0.30858 0.12395 -1.41175 2.24027 0.41588 100 6PZ 0.08731 -0.19561 -0.80016 0.35777 0.37340 101 7D 0 -0.00003 0.00034 -0.02331 0.03046 0.00770 102 7D+1 0.00922 -0.00780 -0.00948 0.01135 0.01026 103 7D-1 -0.00001 -0.00080 0.03025 -0.01032 -0.00813 104 7D+2 -0.00348 -0.00494 -0.01701 -0.01067 -0.02082 105 7D-2 0.01020 0.00728 -0.00265 -0.02105 0.03694 106 8D 0 -0.00046 0.00138 -0.00498 -0.00083 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-0.25997 0.17174 -0.38563 0.12779 30 5PY 0.06255 -0.30128 -0.26790 -0.47431 0.56484 31 5PZ 0.47526 -0.26719 0.54459 -0.24691 -0.19697 32 6PX -1.36757 -0.73267 -0.93602 -1.73789 -0.64899 33 6PY -0.95121 -0.65652 -3.05943 -3.00237 -1.36727 34 6PZ 0.12348 1.70725 3.04886 1.01726 0.80117 35 7D 0 0.00339 -0.01631 -0.00206 -0.00744 -0.02383 36 7D+1 -0.01908 0.00158 0.00856 0.00742 0.01878 37 7D-1 0.01787 -0.02294 0.00695 0.00828 0.00347 38 7D+2 -0.02790 0.00766 -0.00338 -0.00451 -0.02968 39 7D-2 0.00285 -0.01336 -0.01395 -0.00642 -0.01195 40 8D 0 0.00136 -0.00128 -0.00056 -0.00325 -0.00258 41 8D+1 -0.00095 0.00323 0.00286 0.00381 0.00972 42 8D-1 0.00245 -0.00421 0.00273 -0.00004 -0.00046 43 8D+2 -0.00545 -0.00010 -0.00393 -0.00027 -0.00466 44 8D-2 0.00198 -0.00004 -0.00321 -0.00282 0.00199 45 3 Cu 1S 0.00232 0.00325 0.00013 -0.00031 -0.00737 46 2S 0.00008 0.00153 0.01211 0.00788 -0.08718 47 3S -0.55715 -0.76948 0.64665 0.49589 -2.00468 48 4PX 0.05592 0.00157 0.01889 0.00832 0.01397 49 4PY 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69 3S -0.38466 0.87457 -0.73946 0.28874 2.77672 70 4PX -0.04579 0.02601 0.00216 0.00271 0.03355 71 4PY 0.00506 0.00753 0.04053 -0.01753 -0.03314 72 4PZ 0.05883 0.04322 -0.00782 -0.00636 0.01483 73 5PX 0.35137 -0.14259 -0.07057 -0.00518 -0.30125 74 5PY -0.08763 0.02896 -0.33916 0.15965 0.38372 75 5PZ -0.50377 -0.33770 0.04951 0.07408 -0.14397 76 6PX -1.34080 1.36166 3.65250 -1.44287 3.28441 77 6PY -3.84763 8.82857 16.80652 -6.67878 1.61340 78 6PZ 1.43332 0.29783 -0.19325 0.15652 0.94116 79 7D 0 0.01062 0.03617 0.00157 0.01738 -0.04844 80 7D+1 0.04691 -0.01458 0.01701 0.00811 -0.00129 81 7D-1 0.04243 0.02730 -0.02667 -0.01562 0.00112 82 7D+2 -0.01849 -0.01694 0.00003 -0.00648 -0.08316 83 7D-2 -0.01594 -0.00477 -0.03121 0.02690 0.03501 84 8D 0 0.00356 0.00852 0.00158 0.00128 -0.01436 85 8D+1 0.01027 -0.00116 0.00105 0.00217 0.00131 86 8D-1 0.00686 0.00413 -0.00533 0.00304 -0.00115 87 8D+2 -0.00527 -0.00112 -0.00243 -0.00067 -0.02361 88 8D-2 -0.00125 -0.00226 -0.01262 0.00504 0.00940 89 5 Cu 1S -0.00274 0.00026 -0.00047 0.00423 0.00198 90 2S 0.02905 -0.00276 -0.00773 0.05591 0.01889 91 3S 2.12470 -0.19542 -0.31122 1.85440 -0.01965 92 4PX 0.01098 0.07406 -0.06180 -0.00032 -0.00765 93 4PY -0.01751 0.01697 -0.00440 -0.05936 -0.02338 94 4PZ -0.00636 -0.01044 0.01087 -0.01343 0.00272 95 5PX -0.11428 -0.70376 0.67488 0.01813 0.06681 96 5PY 0.18890 -0.16289 0.05882 0.56536 0.24837 97 5PZ 0.02315 0.10046 -0.10958 0.12661 0.03118 98 6PX 0.09051 1.10282 1.41662 -0.44306 -0.12442 99 6PY 1.57668 0.08363 -0.43943 5.02754 -0.66686 100 6PZ 1.76298 -0.33823 -0.55736 2.47272 -0.27864 101 7D 0 -0.00260 -0.00827 -0.00054 0.00769 -0.01225 102 7D+1 -0.00104 0.03207 -0.00261 -0.00293 0.00813 103 7D-1 0.00526 0.01038 -0.00329 0.02181 -0.01113 104 7D+2 0.02050 0.01359 0.00270 -0.00301 -0.01112 105 7D-2 0.00582 -0.02467 -0.00475 0.00145 0.00937 106 8D 0 0.00366 -0.00165 0.00001 0.00435 -0.00502 107 8D+1 0.00143 0.00491 -0.00315 -0.00097 0.00281 108 8D-1 -0.00059 0.00174 -0.00172 0.00660 -0.00039 109 8D+2 0.00220 0.00221 -0.00090 0.00029 0.00017 110 8D-2 0.00021 -0.00401 0.00093 0.00130 0.00132 111 6 Cu 1S 0.00021 -0.00010 0.00022 -0.00050 0.00003 112 2S 0.00092 -0.00046 0.00153 -0.00336 0.00020 113 3S 0.00867 -0.00325 0.06214 -0.13271 -0.00333 114 4PX 0.00072 -0.01989 -0.03633 -0.00187 -0.11302 115 4PY 0.00536 -0.00474 -0.00863 0.00679 -0.03068 116 4PZ 0.01954 0.00200 -0.00009 0.03506 -0.01483 117 5PX -0.00590 0.24557 0.31708 0.01555 1.39852 118 5PY -0.06557 0.05885 0.07107 -0.04723 0.38077 119 5PZ -0.24043 -0.02194 0.00342 -0.30056 0.18248 120 6PX -0.00236 3.52055 5.27513 0.18602 -1.64694 121 6PY -0.77869 0.81049 1.27602 -1.15430 -0.44508 122 6PZ -3.51002 -0.19284 -0.09075 -5.24600 -0.19401 123 7D 0 -0.02169 0.01491 -0.01043 0.03063 0.02000 124 7D+1 -0.00773 -0.04395 0.02254 0.01572 -0.01025 125 7D-1 -0.04104 -0.00806 0.00220 -0.01185 -0.00859 126 7D+2 0.02658 -0.01807 -0.00635 -0.00920 0.03363 127 7D-2 0.00808 0.01597 0.02709 -0.00246 -0.08236 128 8D 0 -0.00353 0.00181 -0.00082 0.00543 0.00223 129 8D+1 -0.00141 -0.00498 0.00016 0.00294 0.00085 130 8D-1 -0.00337 -0.00075 -0.00049 -0.00777 -0.00121 131 8D+2 0.00278 -0.00118 -0.00395 0.00122 0.00678 132 8D-2 0.00084 0.00002 0.00847 0.00057 -0.01427 133 7 Cu 1S 0.00136 -0.00297 0.00428 -0.00208 -0.00691 134 2S -0.01108 0.02602 0.05443 -0.02206 -0.06690 135 3S -0.91242 2.05567 1.79169 -0.57813 0.09314 136 4PX 0.02256 0.02604 0.02652 -0.03874 -0.03098 137 4PY -0.00088 -0.01585 -0.03775 0.02184 0.06719 138 4PZ -0.06582 -0.02181 0.04035 0.04671 -0.01760 139 5PX -0.22770 -0.21906 -0.24278 0.41785 0.49781 140 5PY -0.01274 0.18977 0.35455 -0.20665 -0.61638 141 5PZ 0.61915 0.21469 -0.41467 -0.52212 0.25952 142 6PX 1.30222 -1.67676 -3.59731 2.04798 -1.81230 143 6PY -0.26828 0.26306 2.71759 -1.24187 1.33603 144 6PZ -0.62941 -1.25587 -2.42592 -0.44183 -0.86391 145 7D 0 -0.00302 0.01634 -0.00151 -0.00413 0.01162 146 7D+1 0.01517 -0.00325 0.00963 -0.00673 0.01901 147 7D-1 0.03366 0.01976 -0.00016 0.00312 0.01230 148 7D+2 -0.01369 0.00521 0.01767 -0.00558 0.04986 149 7D-2 -0.01530 -0.00488 -0.00700 0.00009 0.01804 150 8D 0 0.00077 -0.00002 -0.00047 -0.00150 -0.00484 151 8D+1 0.00156 0.00122 0.00295 -0.00305 0.00868 152 8D-1 0.00502 0.00401 -0.00054 -0.00255 0.00354 153 8D+2 -0.00201 0.00076 0.00658 -0.00136 0.00661 154 8D-2 -0.00396 0.00247 0.00031 0.00113 0.00884 155 8 Cu 1S -0.00370 0.00049 -0.00004 -0.00015 -0.00303 156 2S 0.00027 0.00090 0.00124 -0.01417 -0.03504 157 3S 0.93911 -0.10122 0.12836 -0.83140 -0.78575 158 4PX -0.01103 -0.07291 0.01211 -0.00941 0.01106 159 4PY -0.02168 -0.01254 -0.00321 0.03831 0.01535 160 4PZ -0.04096 0.01548 0.00096 -0.02048 0.00223 161 5PX 0.06757 0.61588 -0.11771 0.07887 -0.09141 162 5PY 0.22264 0.10413 0.01574 -0.29627 -0.15633 163 5PZ 0.22361 -0.11801 -0.00887 0.22103 -0.01077 164 6PX -2.59954 -1.23245 0.65731 -4.53854 1.27019 165 6PY 7.22375 -0.98426 -1.89077 13.27604 0.27849 166 6PZ -6.12415 0.79879 1.75052 -12.06782 0.92582 167 7D 0 -0.02394 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-0.00008 187 2S -0.00014 0.00005 0.00013 -0.00102 0.00009 188 3S -0.00057 0.00014 0.00036 -0.00165 0.00149 189 4PX -0.00127 -0.01941 0.08636 0.00498 -0.03291 190 4PY 0.00477 -0.00515 0.02129 -0.01878 -0.00852 191 4PZ 0.01909 -0.00015 -0.00042 -0.08577 -0.00388 192 5PX -0.00103 0.00208 0.05384 0.00291 -0.02651 193 5PY 0.00079 -0.00028 0.01374 -0.01263 -0.00702 194 5PZ -0.00140 -0.00070 -0.00030 -0.05298 -0.00357 126 127 128 129 130 V V V V V EIGENVALUES -- 0.17291 0.18796 0.21806 0.23868 0.25642 1 1 Cu 1S 0.00033 0.02844 -0.00066 -0.05400 0.00077 2 2S 0.00407 0.33272 -0.00504 -0.39525 -0.01430 3 3S 0.00982 2.35288 0.06120 2.62974 -1.34625 4 4PX 0.00587 -0.00485 -0.00053 -0.00423 -0.12436 5 4PY -0.00520 0.02059 -0.00033 0.01686 -0.02437 6 4PZ -0.03206 -0.00388 0.00030 -0.00368 -0.01368 7 5PX -0.10156 -0.24165 0.01954 0.61896 2.49659 8 5PY 0.10872 0.97077 -0.03004 -2.51879 0.66267 9 5PZ 0.53487 -0.23763 0.00196 0.57818 0.24507 10 6PX 0.47248 -0.07593 -0.01897 -0.72310 0.51263 11 6PY -0.40002 0.43269 0.02246 2.85691 -0.58645 12 6PZ -2.25516 0.00878 0.00397 -0.73049 0.19397 13 7D 0 0.02108 -0.02045 -0.00006 -0.03256 0.04160 14 7D+1 0.01318 0.00387 -0.00074 0.00652 -0.08708 15 7D-1 -0.01664 -0.01640 0.00005 -0.02647 -0.01063 16 7D+2 -0.00539 -0.03418 0.00022 -0.05556 -0.02087 17 7D-2 0.00283 -0.01781 -0.00094 -0.02881 -0.02445 18 8D 0 0.01297 0.00364 -0.00033 -0.03794 0.01264 19 8D+1 0.00780 -0.00094 -0.00011 0.00765 -0.02359 20 8D-1 -0.01143 0.00352 -0.00015 -0.03130 -0.00258 21 8D+2 -0.00234 0.00683 -0.00037 -0.06475 -0.00263 22 8D-2 0.00228 0.00360 -0.00065 -0.03354 -0.01044 23 2 Cu 1S -0.00497 0.02090 0.00017 0.00131 -0.01388 24 2S -0.04965 0.05749 0.00129 0.10949 -0.08187 25 3S 0.08584 0.54946 -0.07489 0.60937 -0.58874 26 4PX -0.01005 0.00454 0.01990 0.03489 -0.01321 27 4PY 0.04947 -0.05558 0.01116 -0.03552 0.01292 28 4PZ -0.02456 0.02050 0.02718 -0.01260 0.03343 29 5PX -0.03309 -0.10910 -0.27744 -0.41540 0.31480 30 5PY -0.50781 0.88973 -0.17077 0.53992 0.29948 31 5PZ 0.33763 -0.29171 -0.40332 0.10164 -0.87678 32 6PX 0.47254 -0.30818 0.61421 0.42140 -0.00068 33 6PY 1.33495 -0.37142 0.31136 -0.70547 -0.12387 34 6PZ -1.09796 0.39566 0.81592 -0.01919 0.03207 35 7D 0 0.00656 -0.03084 -0.00266 -0.01738 -0.09547 36 7D+1 -0.02154 0.03353 0.02651 -0.05104 0.07251 37 7D-1 0.00745 0.02280 -0.04866 0.00208 -0.00848 38 7D+2 0.02793 -0.03112 0.03979 0.01577 -0.04155 39 7D-2 0.02537 -0.05878 -0.02373 -0.03030 -0.00119 40 8D 0 -0.00269 -0.00614 -0.00324 -0.00600 -0.01020 41 8D+1 -0.00901 0.00290 0.00369 0.00809 0.02562 42 8D-1 0.00017 0.00342 -0.00471 0.00742 0.01097 43 8D+2 0.00720 -0.00532 0.00493 -0.00448 -0.01826 44 8D-2 -0.00028 -0.01140 -0.00067 -0.01309 -0.02151 45 3 Cu 1S 0.00772 -0.00517 0.00009 0.00194 -0.00511 46 2S 0.08968 -0.09797 0.00088 -0.00486 0.00827 47 3S 2.03202 -1.84902 0.04365 -1.15275 1.86410 48 4PX -0.00129 -0.00257 -0.05407 0.00810 0.04929 49 4PY -0.02795 -0.02995 -0.02786 0.00570 -0.03794 50 4PZ 0.02599 0.01192 -0.07277 -0.00820 -0.01425 51 5PX -0.01812 -0.07063 0.84234 -0.26743 -1.20759 52 5PY 0.31537 0.56124 0.41949 -0.31219 0.74588 53 5PZ -0.23726 -0.14879 1.12851 0.32511 0.12032 54 6PX -1.80520 0.51264 -1.74051 -0.24685 -0.38248 55 6PY 0.53552 0.30573 -0.95490 0.70680 -0.10960 56 6PZ 2.24271 -0.58591 -2.37056 -0.07494 0.44571 57 7D 0 -0.03777 0.06225 0.08053 0.02396 -0.04834 58 7D+1 -0.00110 0.05095 -0.01642 -0.01570 -0.01191 59 7D-1 0.00467 0.00604 -0.00359 -0.05945 0.03736 60 7D+2 -0.01530 0.03207 -0.02891 -0.01278 0.03456 61 7D-2 -0.06319 0.08782 -0.03674 0.07628 -0.00094 62 8D 0 -0.01276 0.01455 0.02027 0.00677 -0.01028 63 8D+1 -0.00167 0.00658 -0.00649 0.00211 -0.00192 64 8D-1 0.00193 0.00115 0.00310 -0.02323 0.00703 65 8D+2 -0.00558 0.01066 -0.01069 -0.01314 0.02214 66 8D-2 -0.01604 0.02045 -0.00715 0.02622 -0.00148 67 4 Cu 1S 0.00252 -0.00519 0.00036 0.00191 -0.00007 68 2S 0.02935 -0.09815 0.00186 -0.00455 -0.01959 69 3S 0.67083 -1.83143 0.00380 -1.13420 -2.49986 70 4PX 0.00203 0.01695 -0.03747 -0.01133 0.03276 71 4PY -0.00726 -0.02577 0.00990 0.00158 0.06461 72 4PZ 0.01891 0.01078 0.08632 -0.00622 0.00445 73 5PX -0.01729 -0.19599 0.57926 0.44351 -0.72544 74 5PY 0.09424 0.53275 -0.16523 -0.16150 -1.14421 75 5PZ -0.17503 -0.15132 -1.33617 0.23688 -0.02260 76 6PX 0.28896 -0.77302 -1.22671 -0.05292 0.14902 77 6PY 0.46485 0.02101 0.29746 0.75396 0.93798 78 6PZ 1.40039 -0.29879 2.81486 -0.14103 -0.07443 79 7D 0 -0.01169 0.08278 -0.05977 0.00963 0.01553 80 7D+1 -0.00525 -0.03420 -0.06372 0.03556 0.02375 81 7D-1 -0.01341 0.00868 -0.00724 -0.02403 -0.03284 82 7D+2 -0.01609 0.07472 0.03454 0.06013 -0.00580 83 7D-2 0.01414 -0.03927 -0.00796 -0.06905 -0.06163 84 8D 0 -0.00580 0.01703 -0.01438 0.00470 0.00540 85 8D+1 -0.00272 -0.00459 -0.01659 0.00889 0.00217 86 8D-1 -0.00132 0.00293 -0.00739 -0.01216 -0.00921 87 8D+2 -0.00383 0.02073 0.00937 0.01370 -0.01064 88 8D-2 0.00235 -0.00598 0.00022 -0.03178 -0.02610 89 5 Cu 1S 0.00720 0.02077 0.00018 0.00122 -0.00776 90 2S 0.06767 0.05657 0.00175 0.10904 -0.03375 91 3S -0.07675 0.57048 -0.04588 0.60913 0.35287 92 4PX 0.01958 0.01181 -0.03390 0.01215 0.02948 93 4PY -0.07364 -0.05682 -0.00669 -0.02941 0.00671 94 4PZ 0.00200 0.00069 0.00518 0.04047 -0.01049 95 5PX -0.17539 -0.19583 0.49970 -0.17015 -0.57560 96 5PY 0.79795 0.90700 0.09043 0.47101 0.10726 97 5PZ 0.18462 -0.06953 -0.06637 -0.47090 0.17056 98 6PX 0.32974 0.00523 -1.02343 0.22330 -0.03328 99 6PY -2.09468 -0.40372 -0.21144 -0.68813 0.11210 100 6PZ -1.05812 -0.37903 0.16516 0.43275 0.01414 101 7D 0 -0.03694 -0.02564 0.01052 0.05437 -0.04819 102 7D+1 0.00015 0.01153 -0.03544 0.02016 0.09815 103 7D-1 -0.03697 -0.07498 -0.01510 -0.01204 -0.00511 104 7D+2 -0.02056 -0.01137 -0.02784 -0.02000 -0.01832 105 7D-2 -0.01935 -0.01648 0.05313 -0.01157 0.03832 106 8D 0 -0.01432 -0.00142 0.00171 -0.00507 -0.00540 107 8D+1 -0.00418 0.00291 -0.00691 0.00269 -0.00024 108 8D-1 -0.00343 -0.01332 -0.00167 -0.01745 -0.01305 109 8D+2 0.00079 -0.00375 -0.00249 0.00010 -0.00080 110 8D-2 -0.00044 -0.00357 0.00360 -0.00276 -0.00284 111 6 Cu 1S 0.00037 0.03753 -0.00032 0.01159 -0.00126 112 2S 0.00220 0.21424 -0.00118 0.09999 -0.01284 113 3S 0.00219 1.33846 0.04611 -0.23357 -1.25067 114 4PX 0.02033 -0.01942 -0.00060 -0.00867 0.02722 115 4PY -0.01966 0.08044 -0.00030 0.03550 0.00107 116 4PZ -0.11470 -0.01624 0.00035 -0.00807 0.00374 117 5PX -0.25212 0.19986 0.01343 0.08220 -0.95306 118 5PY 0.24835 -0.83045 -0.00756 -0.33439 0.04143 119 5PZ 1.42182 0.16232 -0.00342 0.07857 -0.14439 120 6PX 0.28043 0.03051 -0.02237 0.13905 0.27738 121 6PY -0.30875 -0.17327 -0.00058 -0.53614 0.03681 122 6PZ -1.68226 0.02964 0.00754 0.14870 0.04065 123 7D 0 0.05523 -0.02076 -0.00010 0.00201 -0.02214 124 7D+1 0.03312 0.00343 -0.00030 -0.00051 0.02718 125 7D-1 -0.06535 -0.01505 0.00058 0.00191 0.00978 126 7D+2 -0.00549 -0.03549 0.00062 0.00291 -0.02037 127 7D-2 0.01372 -0.01811 -0.00113 0.00167 0.08056 128 8D 0 0.00808 -0.00199 -0.00021 0.00537 -0.00056 129 8D+1 0.00464 0.00030 -0.00002 -0.00097 -0.00237 130 8D-1 -0.01303 -0.00129 -0.00004 0.00408 0.00418 131 8D+2 0.00052 -0.00310 -0.00020 0.00906 -0.00817 132 8D-2 0.00283 -0.00158 -0.00035 0.00464 0.03189 133 7 Cu 1S -0.00154 0.02088 0.00022 0.00125 0.00748 134 2S -0.01654 0.05750 0.00218 0.10914 0.08527 135 3S 0.03756 0.53762 -0.03903 0.60353 2.82298 136 4PX -0.00181 0.02392 0.01382 -0.02007 -0.04143 137 4PY 0.01487 -0.05138 -0.00345 -0.04705 -0.03139 138 4PZ -0.01779 0.01670 -0.03262 -0.00397 -0.02458 139 5PX 0.07345 -0.34255 -0.20433 0.18106 1.36224 140 5PY -0.12965 0.83923 0.03778 0.66270 0.20132 141 5PZ 0.18544 -0.24582 0.47534 0.00722 0.75829 142 6PX -0.32984 0.54491 0.41733 -0.11059 -0.35236 143 6PY 0.29771 -0.20385 -0.11050 -0.80690 0.59237 144 6PZ -0.43719 0.23668 -0.97933 0.06872 -0.21804 145 7D 0 -0.00830 -0.01291 -0.00594 -0.03871 0.01239 146 7D+1 -0.00414 -0.03139 0.00916 0.03128 0.07313 147 7D-1 0.01225 -0.00278 0.06544 0.00835 0.03762 148 7D+2 0.01590 -0.07513 -0.00839 -0.00101 0.08506 149 7D-2 -0.00085 0.01457 -0.02722 0.03941 0.06268 150 8D 0 -0.00414 -0.00435 0.00184 -0.00142 -0.00788 151 8D+1 -0.00079 -0.00333 0.00341 -0.00842 0.03011 152 8D-1 0.00009 -0.00006 0.00667 0.00056 0.00555 153 8D+2 0.00320 -0.01323 -0.00190 -0.01539 0.04356 154 8D-2 0.00230 0.00358 -0.00264 0.00548 0.00893 155 8 Cu 1S -0.01052 -0.00481 0.00032 0.00240 -0.00352 156 2S -0.12255 -0.09448 0.00180 -0.00349 0.00119 157 3S -2.76137 -1.78526 0.01631 -1.21976 0.61731 158 4PX -0.01138 0.00680 0.09217 -0.00084 0.01287 159 4PY 0.04463 -0.03179 0.01947 0.00764 -0.00982 160 4PZ 0.01531 -0.00401 -0.01420 0.01014 0.02034 161 5PX 0.12365 -0.13779 -1.42723 0.04446 -0.62826 162 5PY -0.47424 0.56947 -0.31184 -0.37780 0.20192 163 5PZ -0.09907 -0.06635 0.22614 -0.33352 -0.42349 164 6PX 0.14351 0.02326 3.00951 -0.17532 0.04250 165 6PY 0.32328 0.55327 0.61445 0.58480 0.02692 166 6PZ 3.69013 0.54516 -0.45248 -0.15522 -0.54604 167 7D 0 -0.01003 -0.03921 -0.02130 -0.02040 -0.00135 168 7D+1 -0.03022 -0.03651 0.08049 -0.02252 0.05631 169 7D-1 0.08329 0.06809 0.00997 0.09401 -0.00382 170 7D+2 0.03867 0.07271 -0.00698 -0.02343 -0.01065 171 7D-2 0.03429 0.04382 0.04513 0.00487 0.04747 172 8D 0 -0.00281 -0.00346 -0.00627 -0.01796 -0.00159 173 8D+1 -0.00889 -0.00725 0.02324 -0.00957 0.02165 174 8D-1 0.02260 0.01804 0.00394 0.02976 0.00244 175 8D+2 0.01297 0.01633 0.00059 -0.01146 0.00616 176 8D-2 0.00926 0.01015 0.00671 -0.00023 0.00435 177 9 C 1S 0.00026 0.02110 0.00009 0.01184 0.00003 178 2S -0.00036 -0.02655 0.00014 0.02014 -0.00305 179 3S -0.00398 -0.35648 -0.00652 -0.64032 0.04236 180 4PX -0.01331 -0.00382 0.00226 0.01817 -0.02262 181 4PY 0.01458 0.01256 -0.00080 -0.07627 -0.00484 182 4PZ 0.07793 -0.00512 -0.00059 0.01780 -0.00180 183 5PX 0.00020 -0.19219 0.00491 0.49765 -0.38100 184 5PY 0.01075 0.79059 -0.02681 -2.04189 0.01894 185 5PZ -0.01454 -0.17743 0.00673 0.46866 -0.05970 186 10 O 1S -0.00034 -0.02386 0.00074 0.05680 -0.00361 187 2S 0.00035 0.01937 -0.00072 -0.06491 0.00505 188 3S 0.00683 0.48162 -0.01403 -1.03577 0.06287 189 4PX 0.00507 -0.02271 0.00003 0.02423 0.05450 190 4PY -0.00458 0.09264 -0.00174 -0.09845 0.02507 191 4PZ -0.03384 -0.02086 0.00054 0.02274 0.00325 192 5PX 0.00410 -0.02152 0.00013 0.01843 0.05909 193 5PY -0.00416 0.08904 -0.00102 -0.07594 0.01741 194 5PZ -0.02800 -0.02122 0.00029 0.01750 0.00511 131 132 133 134 135 V V V V V EIGENVALUES -- 0.25735 0.25835 0.29422 0.29461 0.30284 1 1 Cu 1S -0.00208 -0.00443 0.00037 -0.00046 0.02650 2 2S 0.05290 0.12501 0.00432 -0.00500 0.28441 3 3S 4.56620 10.50178 0.13343 -0.11659 7.89762 4 4PX -0.01549 0.00970 -0.01963 0.00099 -0.00066 5 4PY -0.00682 -0.07466 -0.00396 0.00673 0.03164 6 4PZ 0.12106 -0.03617 0.00347 0.01843 0.02870 7 5PX 0.44470 0.10199 0.22867 -0.04643 0.08114 8 5PY -0.41836 0.24467 0.03258 -0.09996 -1.18224 9 5PZ -2.37060 1.01443 -0.09680 -0.19410 -0.87913 10 6PX -0.45756 -1.23007 -0.47287 -0.01091 -0.68512 11 6PY 2.17770 5.19045 -0.07351 0.08977 2.62453 12 6PZ -0.99285 -0.85413 -0.00286 0.52969 -0.70267 13 7D 0 -0.05725 0.04185 -0.00007 0.02597 -0.01963 14 7D+1 -0.04466 0.00680 -0.01501 0.01778 0.00240 15 7D-1 -0.03062 0.01903 -0.00808 -0.06605 -0.03784 16 7D+2 0.04912 -0.00575 -0.03222 0.01577 0.01131 17 7D-2 0.01320 -0.00028 0.06612 0.00439 -0.00364 18 8D 0 -0.02084 0.00633 -0.00625 0.02959 -0.02951 19 8D+1 -0.01300 0.00401 0.00497 0.01727 0.00068 20 8D-1 -0.00673 -0.00208 -0.00263 -0.03693 -0.02282 21 8D+2 0.00958 -0.01112 -0.01929 0.00174 -0.01887 22 8D-2 0.00072 -0.00545 0.04656 0.00087 -0.01315 23 2 Cu 1S 0.00659 0.03444 -0.00724 -0.00581 -0.00062 24 2S -0.03701 0.07870 0.01356 0.01425 -0.10222 25 3S -4.31256 -6.02470 5.75751 4.68317 -3.39023 26 4PX -0.05910 -0.02704 0.03684 0.02619 -0.04984 27 4PY 0.00498 0.01096 -0.03316 -0.02900 0.00678 28 4PZ 0.01567 0.03291 -0.00981 -0.01413 0.02697 29 5PX 1.50917 1.05066 -1.18635 -0.89404 1.10949 30 5PY 0.13686 -0.80389 1.37747 1.12656 0.23488 31 5PZ -0.69990 -0.75506 0.25682 0.34803 -0.64648 32 6PX 0.00132 -0.03523 -0.31430 -0.33503 0.28103 33 6PY -1.00441 -1.56366 0.36290 0.23897 -1.05928 34 6PZ 0.43876 0.62335 0.21743 0.00723 0.29453 35 7D 0 0.05092 -0.00463 -0.03604 -0.01553 0.01329 36 7D+1 0.05908 0.02166 -0.00681 -0.01614 0.04324 37 7D-1 -0.00308 0.00616 0.03756 0.03330 0.04639 38 7D+2 -0.08394 0.04198 0.01249 -0.00207 -0.03008 39 7D-2 -0.03443 0.05810 -0.07268 -0.05749 -0.04006 40 8D 0 -0.00444 0.01492 -0.01973 -0.02173 -0.00318 41 8D+1 0.03408 0.00797 -0.00912 -0.01161 0.00807 42 8D-1 0.00538 -0.01062 0.00478 0.01358 0.00239 43 8D+2 -0.02074 -0.00143 -0.00611 -0.00891 -0.01300 44 8D-2 -0.00658 0.02703 -0.04455 -0.02635 -0.00690 45 3 Cu 1S 0.00733 0.02145 0.01139 0.00904 -0.00498 46 2S 0.02169 0.01800 -0.09545 -0.06532 -0.03504 47 3S 1.77621 -0.56422 -8.31188 -6.16152 0.49251 48 4PX 0.02238 -0.04260 -0.02288 0.00908 0.00582 49 4PY -0.02857 0.02684 -0.08398 -0.05066 -0.02694 50 4PZ -0.01038 0.02599 0.02468 0.04814 0.01681 51 5PX -0.13814 1.21446 0.55150 -0.45839 -0.13610 52 5PY 0.30090 -1.28558 2.33220 1.35141 0.66401 53 5PZ 0.38643 -0.67840 -0.50477 -1.34349 -0.74212 54 6PX 1.46329 3.42037 -0.51214 -0.93116 0.98727 55 6PY -1.22774 -1.75326 3.20813 2.40897 -0.58959 56 6PZ -0.68301 -1.74958 -0.44079 -0.86987 -0.40238 57 7D 0 0.04117 -0.01295 0.04461 -0.03101 -0.06639 58 7D+1 -0.00549 0.02620 0.03445 0.01931 0.03481 59 7D-1 0.03366 0.03079 -0.00693 0.02740 0.00129 60 7D+2 0.03134 0.02084 0.00324 0.00220 -0.02015 61 7D-2 -0.04718 0.01580 -0.00784 0.04420 -0.04764 62 8D 0 0.01067 -0.01095 0.02722 -0.01005 -0.03016 63 8D+1 -0.01741 -0.00711 0.01515 0.01784 0.00456 64 8D-1 0.01302 -0.00522 0.00342 0.00133 -0.00745 65 8D+2 0.00948 0.00419 -0.00238 0.01216 -0.00988 66 8D-2 -0.01131 -0.00222 0.01016 0.02274 -0.02651 67 4 Cu 1S 0.00844 0.02143 -0.01378 0.00521 -0.00477 68 2S 0.01051 0.01686 0.10333 -0.04886 -0.04402 69 3S 0.48347 -0.61690 9.48141 -4.11142 -0.02654 70 4PX 0.00842 0.03579 -0.06314 0.01402 0.01442 71 4PY -0.00259 0.04448 0.07647 -0.02702 -0.03051 72 4PZ -0.00368 0.01332 -0.02050 0.04228 0.01737 73 5PX -0.34700 -0.79076 1.57687 -0.25821 -0.45888 74 5PY -0.29409 -1.73794 -2.19144 0.73097 0.73549 75 5PZ 0.39172 -0.37181 0.41574 -1.27995 -0.73213 76 6PX -1.10650 -2.76132 0.95489 -0.19871 -0.79191 77 6PY -1.55544 -3.13388 -3.80459 1.35081 -0.75346 78 6PZ -0.46303 -0.88298 0.59391 -0.82193 -0.14612 79 7D 0 0.05432 0.00778 -0.05228 -0.02583 -0.04060 80 7D+1 0.02864 -0.04291 0.00883 -0.04672 -0.04660 81 7D-1 0.00256 0.01640 0.00900 0.02621 -0.02578 82 7D+2 -0.02161 0.01123 -0.00098 0.01808 -0.05998 83 7D-2 0.03530 0.00622 0.00404 -0.02549 0.00940 84 8D 0 0.00639 -0.01351 -0.03223 -0.00683 -0.02461 85 8D+1 0.01665 0.00131 0.00532 -0.02494 -0.00869 86 8D-1 0.01166 -0.00373 -0.00401 -0.00338 -0.01562 87 8D+2 -0.00605 0.00197 -0.00931 0.01446 -0.02686 88 8D-2 0.00750 0.00320 0.01153 -0.00691 0.00625 89 5 Cu 1S 0.02536 0.02657 -0.00173 0.00986 -0.01038 90 2S 0.11406 0.01701 0.00198 -0.01741 -0.07626 91 3S -0.91724 -7.27754 1.13473 -7.40676 1.58697 92 4PX 0.01258 -0.00978 0.00699 -0.01444 -0.00009 93 4PY 0.00046 -0.00052 -0.00402 0.03587 -0.01726 94 4PZ 0.02196 -0.07373 0.00666 -0.05167 -0.02237 95 5PX -0.05308 0.31435 -0.19011 0.55829 -0.23619 96 5PY -0.82895 -0.05121 0.20253 -1.52570 1.11012 97 5PZ -0.40028 2.16352 -0.25011 1.69126 -0.13915 98 6PX 0.06175 0.38142 0.11817 0.16551 0.21089 99 6PY -0.36472 -1.88002 0.08641 -0.33863 -0.67040 100 6PZ -0.03829 -0.12380 -0.06298 0.52493 0.44636 101 7D 0 0.08007 -0.07275 0.00238 -0.04288 -0.01992 102 7D+1 0.02707 -0.01894 0.01866 -0.03232 0.01097 103 7D-1 0.07410 -0.00358 -0.00796 0.09633 -0.04607 104 7D+2 0.04563 0.01579 -0.00219 0.00502 -0.04820 105 7D-2 0.04315 0.00666 -0.00372 0.01693 -0.02730 106 8D 0 0.02356 -0.03671 0.00306 -0.01819 0.00812 107 8D+1 -0.00508 -0.01087 0.00343 -0.01927 0.01255 108 8D-1 0.04604 0.00071 -0.00566 0.04892 -0.03743 109 8D+2 0.00241 0.00569 0.00170 0.02278 -0.01661 110 8D-2 0.00794 0.00295 -0.01405 0.01663 -0.01300 111 6 Cu 1S 0.00372 0.00714 0.00024 0.00016 0.02055 112 2S 0.04044 0.08622 -0.00114 0.00130 -0.06716 113 3S 4.07502 9.08613 -0.08802 0.02888 -5.91231 114 4PX 0.00022 -0.00869 -0.00173 -0.00026 0.01929 115 4PY 0.01427 0.04372 -0.00166 0.00106 -0.07662 116 4PZ -0.02817 0.00156 0.00030 0.00273 0.02112 117 5PX 0.05176 0.43552 -0.36774 -0.02928 -0.61240 118 5PY -0.75399 -2.09625 -0.05764 0.05844 2.17182 119 5PZ 1.01500 0.06470 -0.03015 0.35795 -1.09762 120 6PX 0.01556 -0.06676 -1.11187 -0.06977 -0.17387 121 6PY 0.07169 0.27864 -0.26965 0.22739 0.32276 122 6PZ -0.27843 0.02121 -0.02867 1.11832 -0.88161 123 7D 0 0.04612 -0.05315 -0.00777 0.04437 -0.00708 124 7D+1 0.03858 -0.00770 -0.00168 0.02667 -0.02655 125 7D-1 -0.05325 0.00146 -0.00235 -0.06530 0.06449 126 7D+2 -0.03069 -0.03710 -0.03305 0.00648 0.05903 127 7D-2 0.00173 -0.01450 0.07732 0.00498 0.03461 128 8D 0 0.00361 -0.03058 -0.00412 0.01245 0.00071 129 8D+1 0.01014 0.00049 0.00674 0.00612 -0.00975 130 8D-1 -0.03196 -0.00755 0.00247 -0.00927 0.03210 131 8D+2 -0.01744 -0.04236 -0.00467 -0.00307 0.01665 132 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5PX -0.37516 -0.39115 0.16465 -0.20207 0.00438 96 5PY 0.30322 -0.16762 -0.21784 -0.03242 0.04269 97 5PZ -1.85533 0.32070 0.87452 -0.03184 0.31963 98 6PX -0.20467 -0.06970 0.09111 -0.64582 0.06332 99 6PY 1.00867 -0.16872 -0.40613 -0.03619 -0.62466 100 6PZ 0.04664 0.01996 0.01659 0.06351 0.22115 101 7D 0 0.03120 -0.02170 0.01071 -0.00271 -0.00746 102 7D+1 0.01508 0.06219 0.00395 0.01524 -0.00148 103 7D-1 0.05427 0.01140 -0.03568 0.01196 -0.03143 104 7D+2 -0.07287 0.01728 0.04700 0.00748 0.05996 105 7D-2 -0.02349 0.00427 0.01479 -0.03494 0.01603 106 8D 0 0.02278 -0.00415 0.00038 -0.00096 -0.00227 107 8D+1 0.01081 0.00404 -0.00752 0.00647 0.00015 108 8D-1 -0.01485 0.00429 0.01623 -0.00783 0.03229 109 8D+2 -0.00583 0.00313 0.02579 -0.00490 -0.04577 110 8D-2 -0.00524 -0.00135 0.01376 0.03001 -0.01043 111 6 Cu 1S -0.01170 0.00107 0.01451 -0.00019 0.00104 112 2S 0.04519 -0.00577 0.08759 -0.00073 0.00232 113 3S 3.66419 -0.36414 4.39589 -0.03038 0.03012 114 4PX -0.01180 -0.00657 -0.00614 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0.05396 0.02506 0.08188 -0.11340 0.04825 135 3S -0.78732 5.40451 -3.36863 -0.46936 0.02340 136 4PX -0.01344 -0.01821 0.01804 0.02521 -0.00868 137 4PY -0.00113 -0.03467 0.00682 -0.00438 0.00232 138 4PZ -0.01655 -0.01082 0.00819 0.01100 -0.00736 139 5PX 0.12589 0.73670 -0.55405 -0.29703 0.01874 140 5PY -0.56813 1.53402 -0.58982 -0.14723 0.04227 141 5PZ 0.49343 0.38918 -0.21457 -0.03821 0.21628 142 6PX -0.00991 -0.40777 0.12762 -0.02314 -0.26071 143 6PY 0.55745 0.21710 -0.35838 -0.57714 0.28604 144 6PZ 0.02228 -0.13620 0.09119 0.31910 0.51472 145 7D 0 0.04571 -0.04659 0.01802 0.03283 -0.01998 146 7D+1 0.03019 0.07029 -0.03125 -0.04225 0.01801 147 7D-1 0.03798 -0.01052 0.02013 0.03365 0.02461 148 7D+2 0.02015 -0.02855 -0.00395 -0.00458 -0.00033 149 7D-2 0.00324 -0.02859 0.03921 0.01957 -0.02535 150 8D 0 0.01553 -0.02397 0.02055 -0.01662 0.02421 151 8D+1 0.00299 0.00788 -0.00755 0.03672 -0.00260 152 8D-1 0.00440 0.00666 0.00718 -0.02639 -0.01143 153 8D+2 0.02003 -0.02642 0.02334 0.00609 -0.00730 154 8D-2 -0.01258 0.02555 0.00152 -0.02549 0.02190 155 8 Cu 1S 0.02377 -0.00271 -0.00197 -0.00281 0.01779 156 2S 0.19191 -0.01725 0.04716 -0.02283 0.14206 157 3S 2.33187 0.01019 2.22124 -0.78391 4.74354 158 4PX 0.00574 -0.01573 -0.00572 -0.00330 -0.00238 159 4PY 0.02135 -0.00248 0.03042 -0.00686 0.03570 160 4PZ 0.07449 -0.00555 0.00658 -0.00522 0.03801 161 5PX -0.23699 0.91990 0.48668 0.47265 0.09137 162 5PY -0.32314 0.14579 -1.95921 0.25919 -0.89544 163 5PZ -2.57045 0.13983 0.46906 0.09960 -1.16970 164 6PX -1.05873 -0.04868 0.40614 -0.04939 0.47985 165 6PY 2.81844 -0.45924 -0.93119 0.33201 -1.72844 166 6PZ -2.89133 0.41126 1.55918 -0.14523 0.73741 167 7D 0 0.06938 0.01608 -0.04554 0.01439 0.01195 168 7D+1 -0.01250 -0.08016 -0.01361 -0.06005 -0.00556 169 7D-1 0.08894 -0.02677 0.06793 -0.01364 0.01530 170 7D+2 0.01641 -0.01195 -0.08425 -0.00075 -0.02890 171 7D-2 0.02195 -0.01311 -0.02569 -0.00969 -0.01172 172 8D 0 0.02245 0.00666 -0.01511 -0.00466 0.01041 173 8D+1 -0.01045 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5PY -0.06054 0.01301 0.41627 0.02330 -0.02049 194 5PZ -0.01665 -0.00400 -0.09460 0.00008 -0.09982 141 142 143 144 145 V V V V V EIGENVALUES -- 0.55001 0.61387 0.63276 0.63371 0.66867 1 1 Cu 1S -0.06395 0.05341 -0.00088 0.00023 -0.00635 2 2S -0.21808 0.10345 -0.00068 0.00032 -0.03183 3 3S 3.19380 1.18193 0.00438 0.01255 4.63945 4 4PX 0.00908 0.00073 -0.00055 0.01438 0.00499 5 4PY -0.03725 -0.00192 -0.00313 0.00307 -0.01954 6 4PZ 0.00840 0.00109 -0.01470 -0.00122 0.00473 7 5PX 0.05957 0.13996 0.00485 -0.24031 0.07135 8 5PY -0.24210 -0.60317 0.06178 -0.05400 -0.32127 9 5PZ 0.05722 0.11965 0.24699 0.01867 0.06092 10 6PX 0.31768 -0.08321 -0.00146 0.06037 -0.60449 11 6PY -1.32744 0.19146 0.02807 0.01356 2.47307 12 6PZ 0.28872 -0.13576 -0.01371 0.01396 -0.55102 13 7D 0 0.07091 -0.01359 -0.12646 0.00973 0.03364 14 7D+1 -0.01465 0.00252 -0.06870 -0.01404 -0.00938 15 7D-1 0.05957 -0.00959 0.16905 0.02024 0.03096 16 7D+2 0.12094 -0.02293 -0.02030 0.08761 0.05162 17 7D-2 0.06322 -0.01124 0.00694 -0.20187 0.02909 18 8D 0 -0.11398 0.01692 0.20291 -0.02091 -0.06858 19 8D+1 0.02349 -0.00308 0.10710 0.04096 0.01772 20 8D-1 -0.09562 0.01170 -0.24243 -0.02644 -0.06173 21 8D+2 -0.19472 0.02840 0.01987 -0.12730 -0.10897 22 8D-2 -0.10171 0.01382 -0.01337 0.30255 -0.05996 23 2 Cu 1S 0.00775 -0.04007 -0.02373 -0.03766 0.10934 24 2S 0.05931 -0.08899 -0.03805 -0.06012 0.24351 25 3S -0.16465 -0.61142 1.10150 1.70250 -1.74185 26 4PX 0.00499 -0.01034 -0.00126 0.00487 -0.00315 27 4PY 0.00297 -0.00304 -0.00183 0.00100 0.01136 28 4PZ -0.00493 0.00857 -0.00532 0.00046 -0.00173 29 5PX -0.06291 0.22818 -0.14688 -0.30714 0.22144 30 5PY 0.14518 0.07770 0.11811 0.14992 -0.09347 31 5PZ -0.01133 -0.19390 0.14569 0.11745 -0.13209 32 6PX 0.21697 0.02674 -0.10218 -0.06379 0.22420 33 6PY 0.48653 -0.08871 0.21156 0.39718 -0.80338 34 6PZ -0.35910 0.03148 -0.10823 -0.05236 0.16720 35 7D 0 0.00393 -0.02867 0.01263 0.00703 -0.00375 36 7D+1 -0.06174 0.02956 -0.06303 0.01702 -0.05161 37 7D-1 -0.03180 -0.06808 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-0.02338 0.01889 0.00748 0.03021 58 7D+1 0.01845 -0.25248 0.08461 -0.05114 0.04365 59 7D-1 0.01456 -0.02278 -0.10187 0.18379 -0.01417 60 7D+2 -0.00006 0.12379 0.16826 -0.00249 -0.01236 61 7D-2 -0.01077 -0.03316 -0.11147 0.01620 0.05725 62 8D 0 0.00890 0.02564 -0.04504 0.01759 -0.04763 63 8D+1 -0.01961 0.32166 -0.11013 0.07498 -0.06485 64 8D-1 -0.00979 0.03355 0.15192 -0.24857 0.02897 65 8D+2 0.01308 -0.15794 -0.21830 0.01339 0.02321 66 8D-2 0.02058 0.03365 0.17422 -0.02271 -0.09332 67 4 Cu 1S 0.02532 -0.07353 0.01709 -0.03388 -0.00001 68 2S 0.03442 -0.11749 0.02203 -0.04213 -0.01976 69 3S -0.31852 0.36446 -1.01552 2.13822 0.56940 70 4PX 0.00555 -0.00323 0.00592 -0.01160 0.00762 71 4PY -0.00189 -0.00124 -0.00009 0.00183 -0.00905 72 4PZ 0.00274 -0.00122 0.00238 -0.00544 0.00435 73 5PX -0.04564 0.13325 -0.08544 0.35064 -0.13111 74 5PY 0.31257 -0.10151 0.09166 -0.28021 0.27286 75 5PZ -0.05654 0.06551 -0.24755 0.08153 -0.09689 76 6PX 0.37846 -0.09890 0.02594 0.01969 -0.76674 77 6PY 0.45758 -0.13767 0.47736 -1.20462 -0.36992 78 6PZ 0.13930 -0.03312 -0.18026 0.06395 -0.32266 79 7D 0 0.00973 -0.13490 0.05359 -0.00771 0.04810 80 7D+1 -0.01760 0.16452 -0.03470 0.03167 -0.02041 81 7D-1 0.00377 0.04039 -0.19243 -0.16559 -0.00785 82 7D+2 -0.01413 0.11581 0.03030 0.00570 0.02786 83 7D-2 0.00752 0.14410 0.14826 -0.05645 -0.05338 84 8D 0 -0.00097 0.16841 -0.08790 -0.01556 -0.07239 85 8D+1 0.01639 -0.21167 0.02285 -0.04658 0.02628 86 8D-1 0.00167 -0.04988 0.27336 0.22412 0.01587 87 8D+2 0.02954 -0.15488 -0.02407 -0.01649 -0.04557 88 8D-2 -0.00311 -0.17712 -0.20761 0.07001 0.08986 89 5 Cu 1S 0.00764 -0.04075 0.04809 -0.00301 0.10926 90 2S 0.05956 -0.09075 0.07847 -0.00455 0.24375 91 3S -0.16608 -0.59827 -2.04436 0.16230 -1.74068 92 4PX 0.00009 -0.00094 0.00004 0.00600 -0.00264 93 4PY 0.00401 -0.00550 -0.00042 0.00117 0.01105 94 4PZ 0.00642 -0.01273 -0.00391 -0.00052 -0.00337 95 5PX -0.03843 0.01778 0.07818 -0.07810 0.04769 96 5PY 0.14062 0.12505 -0.12414 0.00132 -0.04854 97 5PZ -0.06712 0.27764 0.40118 -0.02043 0.26398 98 6PX -0.07609 0.03165 0.11417 0.07293 0.20263 99 6PY 0.55259 -0.12449 -0.45555 0.05622 -0.79302 100 6PZ 0.29887 0.01085 0.09323 -0.00900 0.22426 101 7D 0 0.04687 -0.08904 0.02820 -0.02323 0.03244 102 7D+1 0.00485 -0.01319 0.02502 0.08132 0.00614 103 7D-1 0.05215 0.01084 -0.08956 0.04143 0.04742 104 7D+2 -0.02684 -0.08607 0.05631 0.06303 -0.03864 105 7D-2 -0.00408 -0.03315 0.00138 -0.12522 -0.01003 106 8D 0 -0.04042 0.10640 -0.05838 0.03213 -0.04244 107 8D+1 0.00182 0.01661 -0.04301 -0.10712 -0.01107 108 8D-1 -0.07291 -0.02512 0.13182 -0.05587 -0.06063 109 8D+2 0.02364 0.11460 -0.06537 -0.08306 0.06548 110 8D-2 -0.00058 0.04267 0.00420 0.16209 0.01989 111 6 Cu 1S 0.00172 -0.01090 0.00031 0.00053 0.10860 112 2S -0.00589 0.00276 0.00070 0.00081 0.18727 113 3S -1.11511 0.12389 0.05554 -0.02668 -1.15374 114 4PX 0.00233 -0.00254 0.00034 -0.00814 0.00285 115 4PY -0.00958 0.01042 0.00195 -0.00188 -0.01210 116 4PZ 0.00215 -0.00239 0.00838 0.00080 0.00261 117 5PX -0.07360 0.03402 -0.00515 0.10724 -0.12794 118 5PY 0.30156 -0.14128 -0.03613 0.02945 0.52182 119 5PZ -0.06795 0.03283 -0.11698 -0.01453 -0.11950 120 6PX 0.02015 -0.04290 0.00316 -0.42285 -0.09152 121 6PY -0.09316 0.19275 0.09459 -0.09691 0.34298 122 6PZ 0.01301 -0.02893 0.40163 0.02326 -0.07903 123 7D 0 0.00424 -0.09151 0.10010 -0.06026 0.04488 124 7D+1 -0.00077 0.01769 0.02458 0.19337 -0.00835 125 7D-1 0.00337 -0.07372 0.16215 0.04462 0.03339 126 7D+2 0.00600 -0.15759 -0.11525 0.06595 0.07613 127 7D-2 0.00318 -0.08053 -0.02946 -0.05716 0.03795 128 8D 0 -0.00392 0.12184 -0.14881 0.08616 -0.05370 129 8D+1 0.00066 -0.02349 -0.03830 -0.27655 0.00979 130 8D-1 -0.00300 0.09805 -0.22249 -0.06231 -0.03892 131 8D+2 -0.00511 0.20982 0.16292 -0.09011 -0.09094 132 8D-2 -0.00272 0.10731 0.04263 0.07293 -0.04482 133 7 Cu 1S 0.00754 -0.03991 -0.01848 0.04039 0.11024 134 2S 0.05891 -0.08871 -0.02974 0.06444 0.24520 135 3S -0.16489 -0.63171 0.83588 -1.84905 -1.75951 136 4PX -0.00688 0.01275 0.00089 0.00438 -0.00231 137 4PY 0.00039 0.00187 -0.00115 0.00142 0.01169 138 4PZ -0.00312 0.00506 -0.00591 -0.00111 -0.00206 139 5PX -0.00589 -0.28830 0.08894 -0.25692 -0.19647 140 5PY 0.15855 -0.03316 0.13014 -0.29101 -0.18435 141 5PZ -0.01936 -0.11829 0.10096 -0.04936 -0.06963 142 6PX -0.48047 0.01422 -0.00011 0.12598 0.17240 143 6PY 0.34042 -0.08226 0.17906 -0.41729 -0.81072 144 6PZ -0.26032 0.02736 -0.11034 0.05851 0.17416 145 7D 0 -0.02664 -0.02505 -0.01467 -0.00124 -0.02802 146 7D+1 0.05274 0.00971 0.03766 -0.03246 0.04844 147 7D-1 -0.00271 -0.05305 0.11974 0.10090 -0.01459 148 7D+2 0.04630 -0.05817 0.00031 -0.04693 0.03378 149 7D-2 -0.00042 -0.10094 -0.09772 0.04503 -0.01731 150 8D 0 0.01762 0.03611 0.01123 0.01639 0.04796 151 8D+1 -0.05537 -0.02221 -0.04680 0.03431 -0.07138 152 8D-1 0.00594 0.06874 -0.15429 -0.13597 0.02456 153 8D+2 -0.06258 0.06414 -0.00209 0.06976 -0.03765 154 8D-2 0.01477 0.13062 0.13576 -0.07710 0.02702 155 8 Cu 1S 0.02463 -0.07180 -0.03509 0.00184 -0.00454 156 2S 0.03331 -0.11235 -0.04248 0.00177 -0.02563 157 3S -0.31520 0.42125 2.32952 -0.15594 0.71782 158 4PX 0.00039 0.00033 -0.00005 0.00017 0.00207 159 4PY -0.00467 0.00144 0.00837 -0.00089 -0.01177 160 4PZ -0.00440 0.00398 0.01157 -0.00051 -0.00257 161 5PX -0.07749 0.02176 0.07463 0.19491 -0.06997 162 5PY 0.29429 -0.17684 -0.44058 0.07956 0.29268 163 5PZ -0.10023 -0.09199 -0.19134 -0.02623 -0.02997 164 6PX -0.10514 0.05444 0.31881 0.09727 0.08071 165 6PY 0.18535 -0.11964 -1.07690 0.14535 0.15197 166 6PZ -0.56244 0.22731 0.59333 -0.09650 0.84383 167 7D 0 -0.00997 0.26198 -0.06998 0.03778 -0.05557 168 7D+1 -0.00045 0.06741 -0.02474 -0.11532 -0.02780 169 7D-1 -0.01959 0.06692 0.06639 -0.06276 0.04365 170 7D+2 0.01265 -0.05930 -0.10246 -0.10617 0.01916 171 7D-2 0.00221 -0.01835 -0.01853 0.21066 0.01693 172 8D 0 0.01666 -0.33148 0.09444 -0.04490 0.08900 173 8D+1 -0.00189 -0.08321 0.03688 0.13188 0.04514 174 8D-1 0.02912 -0.09455 -0.09812 0.08506 -0.07473 175 8D+2 0.00046 0.07498 0.11926 0.15392 -0.02513 176 8D-2 0.00503 0.02167 0.01351 -0.31402 -0.02525 177 9 C 1S 0.03929 0.01095 -0.00021 0.00002 0.01511 178 2S -0.14405 0.17440 -0.00658 0.00331 0.86104 179 3S -2.29113 -0.70074 0.01426 -0.00577 -0.80111 180 4PX -0.26182 -0.05525 0.00055 0.01210 -0.05959 181 4PY 1.07770 0.22583 -0.01004 0.00539 0.24246 182 4PZ -0.24763 -0.05375 -0.01103 -0.00221 -0.05653 183 5PX 0.14452 0.07973 0.00234 -0.09129 0.19281 184 5PY -0.59726 -0.31756 0.02854 -0.02282 -0.77529 185 5PZ 0.13681 0.08369 0.08276 0.00921 0.18661 186 10 O 1S -0.08852 0.00054 -0.00004 -0.00002 0.02566 187 2S 0.25169 -0.01319 0.00022 0.00014 -0.00754 188 3S 0.81065 0.06768 -0.00129 0.00065 -0.30132 189 4PX -0.03938 -0.04671 0.01498 -0.33716 -0.14990 190 4PY 0.16464 0.19652 0.07265 -0.07250 0.63460 191 4PZ -0.03669 -0.04227 0.33186 0.03024 -0.13423 192 5PX -0.32109 0.01018 -0.01932 0.46333 0.24403 193 5PY 1.31616 -0.04942 -0.10468 0.10152 -1.03186 194 5PZ -0.30370 0.00566 -0.45327 -0.04204 0.21921 146 147 148 149 150 V V V V V EIGENVALUES -- 0.69228 0.69362 0.70538 0.71037 0.71154 1 1 Cu 1S -0.00190 0.00108 0.03219 0.00541 -0.00158 2 2S -0.00143 0.00098 0.00804 0.00162 -0.00045 3 3S -0.02550 0.03383 -2.06807 -0.38692 0.12001 4 4PX -0.00360 -0.03354 -0.00806 -0.00194 0.00463 5 4PY 0.00493 -0.00800 0.03773 0.00537 -0.00081 6 4PZ 0.03345 -0.00231 -0.00587 -0.00574 -0.00039 7 5PX 0.07802 0.67651 0.18818 0.07414 0.33167 8 5PY -0.08030 0.15234 -0.79420 -0.19152 0.12435 9 5PZ -0.68463 0.05872 0.19944 -0.30425 0.01713 10 6PX 0.07411 0.32392 -0.24957 -0.00133 0.58924 11 6PY -0.19281 0.16155 1.02748 0.05536 0.10971 12 6PZ -0.39517 0.02592 -0.21783 -0.56066 0.02279 13 7D 0 0.18242 -0.11025 0.12177 -0.15956 0.04782 14 7D+1 0.10909 0.26375 -0.00627 -0.09027 -0.08602 15 7D-1 0.14080 0.02745 0.05042 0.13560 -0.01776 16 7D+2 -0.14812 0.07413 0.12787 0.05529 0.06692 17 7D-2 -0.05267 0.02962 0.06112 0.00534 -0.20505 18 8D 0 -0.28581 0.16812 -0.17773 0.25572 -0.07235 19 8D+1 -0.17077 -0.39625 0.00583 0.14339 0.12179 20 8D-1 -0.19460 -0.04093 -0.06259 -0.23640 0.02502 21 8D+2 0.22136 -0.10220 -0.18054 -0.07439 -0.11928 22 8D-2 0.07709 -0.06508 -0.08362 -0.00239 0.34230 23 2 Cu 1S 0.05314 0.05474 -0.12831 -0.05482 -0.03342 24 2S 0.08421 0.08509 -0.24258 -0.09785 -0.05458 25 3S -1.67010 -1.93427 0.94984 1.04865 1.04675 26 4PX 0.00431 -0.00237 -0.00418 -0.00031 -0.00466 27 4PY 0.00635 0.00324 -0.00349 0.00570 0.00459 28 4PZ 0.00142 -0.00632 0.00344 0.00351 -0.00356 29 5PX 0.29653 0.32844 -0.14512 -0.11307 -0.09142 30 5PY -0.16505 -0.19357 0.10308 0.01706 0.01352 31 5PZ -0.14004 -0.18314 0.07927 0.05863 0.07919 32 6PX -0.04026 -0.26209 -0.08957 -0.14168 -0.34340 33 6PY -0.01247 -0.22097 -0.12221 0.31051 0.29606 34 6PZ 0.29889 0.03272 0.09381 0.21635 -0.08131 35 7D 0 -0.09744 0.09263 -0.04604 0.11807 0.01673 36 7D+1 0.16595 0.11843 -0.01422 0.00456 -0.04507 37 7D-1 -0.04507 -0.00043 0.06718 -0.11821 -0.02101 38 7D+2 -0.03884 -0.15660 0.02014 0.04192 -0.00267 39 7D-2 0.07227 0.00143 -0.06567 0.04696 0.19939 40 8D 0 0.16095 -0.13874 0.04903 -0.18595 -0.02899 41 8D+1 -0.21109 -0.13425 -0.00302 -0.02242 0.05185 42 8D-1 0.06691 0.00089 -0.09998 0.18479 0.04139 43 8D+2 0.03851 0.21783 -0.03561 -0.05312 0.01635 44 8D-2 -0.09847 0.01502 0.06620 -0.08827 -0.31304 45 3 Cu 1S 0.01527 0.00629 -0.03193 0.11339 0.13963 46 2S -0.00121 -0.01901 -0.05966 0.16093 0.20251 47 3S -0.43307 -0.26368 -0.96310 -3.83129 -4.19867 48 4PX -0.00459 -0.00311 0.00684 -0.01846 -0.01581 49 4PY -0.00262 -0.00203 0.00726 0.00099 0.00333 50 4PZ 0.00365 0.00457 -0.00665 0.00539 0.01754 51 5PX 0.26552 0.39313 0.09488 0.47907 0.84218 52 5PY -0.03498 -0.02995 -0.52870 0.03593 0.35422 53 5PZ -0.32792 -0.15107 0.20511 -0.73723 -0.45284 54 6PX 0.95092 0.92389 -0.06440 -0.04079 0.29787 55 6PY -1.54788 -1.89013 -0.20906 0.43738 0.89059 56 6PZ 0.11250 -0.09745 0.25035 -0.59783 -0.20181 57 7D 0 -0.04102 0.11457 -0.08949 0.10406 -0.07890 58 7D+1 -0.01059 0.01599 0.07349 -0.03259 0.07050 59 7D-1 0.10867 0.01640 0.08359 0.09432 -0.05116 60 7D+2 0.07731 0.10447 -0.00340 -0.09402 0.08450 61 7D-2 0.08582 -0.04179 -0.14185 -0.03307 0.01780 62 8D 0 0.04347 -0.15769 0.13935 -0.15505 0.16384 63 8D+1 0.03392 -0.02589 -0.11025 0.09558 -0.06303 64 8D-1 -0.16273 -0.00453 -0.14142 -0.14500 0.07836 65 8D+2 -0.09837 -0.16824 -0.00532 0.14416 -0.13915 66 8D-2 -0.13358 0.05129 0.22535 0.09605 0.00651 67 4 Cu 1S 0.00216 -0.01478 -0.03669 0.05533 -0.16988 68 2S -0.00708 0.01316 -0.06835 0.07862 -0.24404 69 3S -0.01704 0.46721 -0.84106 -2.05167 5.30512 70 4PX 0.00261 -0.00739 -0.01086 0.00949 -0.02245 71 4PY -0.00087 0.00020 0.00336 0.00381 -0.01295 72 4PZ 0.00001 -0.00364 -0.00412 -0.00466 -0.01161 73 5PX -0.06931 0.47867 0.19325 -0.21794 1.16911 74 5PY -0.05713 0.23408 -0.51764 -0.15322 0.12223 75 5PZ -0.18471 0.15233 0.19633 -0.46035 0.36487 76 6PX -0.09494 0.15300 0.23347 -0.02962 0.72803 77 6PY -0.75827 2.64654 -0.25004 0.27487 -0.73628 78 6PZ 0.24922 -0.14936 0.19564 -0.50836 0.22362 79 7D 0 -0.06583 -0.09984 -0.03495 0.08061 0.00851 80 7D+1 -0.08006 0.00645 -0.10121 0.09713 0.07109 81 7D-1 0.09721 -0.04280 0.00665 0.13439 0.03746 82 7D+2 0.06616 -0.07230 -0.13808 -0.10117 -0.01986 83 7D-2 -0.02124 -0.10334 0.09791 -0.02690 -0.01833 84 8D 0 0.08501 0.14097 0.05353 -0.12011 -0.07707 85 8D+1 0.09637 -0.00307 0.16101 -0.17944 -0.07800 86 8D-1 -0.16430 0.05185 -0.01806 -0.21093 -0.05155 87 8D+2 -0.09006 0.12303 0.21106 0.17260 0.01268 88 8D-2 0.04277 0.14638 -0.16474 0.01911 0.07311 89 5 Cu 1S -0.06804 0.01298 -0.14451 0.02555 -0.00114 90 2S -0.10520 0.01910 -0.26992 0.03734 -0.00145 91 3S 2.45155 -0.52685 1.42808 -1.18021 0.12349 92 4PX -0.00057 -0.00743 -0.00029 0.00081 -0.00607 93 4PY -0.00713 0.00025 -0.00284 -0.00781 0.00050 94 4PZ -0.00104 0.00089 -0.00581 0.00259 0.00032 95 5PX -0.10618 0.00814 -0.04955 0.01517 0.02130 96 5PY 0.15309 -0.03928 0.07440 0.02878 -0.00893 97 5PZ -0.50433 0.11586 -0.24266 0.12412 -0.00559 98 6PX -0.06640 -0.25632 -0.00643 0.08519 -0.26378 99 6PY 0.21716 -0.11528 -0.06234 -0.39730 0.01480 100 6PZ 0.28158 -0.03411 -0.19082 0.35151 -0.02972 101 7D 0 0.24443 -0.01272 0.05732 0.02562 -0.01768 102 7D+1 0.01918 -0.17054 0.02127 0.05934 0.01602 103 7D-1 0.01571 -0.02931 -0.03567 -0.23131 0.02754 104 7D+2 -0.00039 -0.00889 0.01850 -0.01774 -0.05258 105 7D-2 -0.00124 -0.03601 0.00458 -0.01304 0.14479 106 8D 0 -0.30792 0.00439 -0.05321 -0.06388 0.03013 107 8D+1 -0.01013 0.26243 -0.01408 -0.09686 -0.02499 108 8D-1 -0.02002 0.04402 0.02690 0.35660 -0.04297 109 8D+2 -0.01308 0.01511 -0.05190 0.02117 0.08037 110 8D-2 -0.00241 0.06135 -0.02200 0.01913 -0.21682 111 6 Cu 1S 0.00717 -0.00299 -0.18589 -0.03153 0.00797 112 2S 0.01058 -0.00443 -0.28739 -0.04880 0.01228 113 3S -0.16725 0.07806 3.14822 0.52294 -0.12690 114 4PX 0.00136 0.00949 -0.00589 -0.00074 0.00004 115 4PY -0.00293 0.00291 0.02308 0.00402 -0.00101 116 4PZ -0.00937 0.00051 -0.00572 -0.00067 0.00051 117 5PX -0.00440 -0.00232 0.26278 0.07100 0.30448 118 5PY 0.05261 -0.02121 -1.02737 -0.23709 0.12279 119 5PZ -0.00425 0.01350 0.28500 -0.27418 0.00023 120 6PX 0.11364 1.07433 0.09524 0.01964 -0.41300 121 6PY -0.18732 0.26647 -0.55084 -0.00105 -0.07250 122 6PZ -1.05349 0.05647 0.01893 0.41859 0.01442 123 7D 0 0.03372 0.00279 -0.07071 -0.05893 0.05554 124 7D+1 0.01145 -0.02864 0.01503 -0.02118 -0.15170 125 7D-1 -0.08058 0.00197 -0.04069 -0.18145 -0.01551 126 7D+2 0.01993 -0.04774 -0.15284 0.06299 -0.07901 127 7D-2 0.01836 0.07425 -0.07335 0.02333 0.09237 128 8D 0 -0.04710 -0.00539 0.08471 0.07127 -0.08202 129 8D+1 -0.01603 0.04621 -0.01636 0.02481 0.23598 130 8D-1 0.12246 -0.00395 0.03669 0.30229 0.02478 131 8D+2 -0.02878 0.07135 0.19033 -0.10719 0.13766 132 8D-2 -0.02773 -0.11091 0.08837 -0.04342 -0.17097 133 7 Cu 1S 0.02775 -0.07239 -0.12496 -0.04139 0.05364 134 2S 0.04561 -0.11306 -0.23730 -0.07372 0.09226 135 3S -0.76525 2.42167 0.83416 0.71806 -1.33899 136 4PX -0.00503 0.00377 0.00588 -0.00133 -0.00082 137 4PY 0.00184 -0.00494 -0.00131 0.00276 -0.00754 138 4PZ 0.00562 0.00451 0.00191 0.00514 0.00265 139 5PX -0.10647 0.32976 0.09516 0.08284 -0.12597 140 5PY -0.12008 0.40354 0.13913 0.06339 -0.06794 141 5PZ -0.01881 0.11233 0.03459 0.01006 -0.05809 142 6PX -0.03765 -0.34261 0.15449 -0.02381 -0.17221 143 6PY 0.03211 0.05613 -0.08580 0.19986 -0.50567 144 6PZ 0.27351 -0.06537 0.06753 0.21950 0.06772 145 7D 0 -0.06759 -0.11474 -0.03786 0.08447 -0.02981 146 7D+1 -0.14008 0.07446 -0.03161 0.07090 -0.03597 147 7D-1 -0.07473 0.05056 0.04060 -0.09938 -0.00677 148 7D+2 0.03335 0.11133 -0.05301 0.03020 -0.17500 149 7D-2 -0.04372 0.16439 0.07081 0.02882 0.12948 150 8D 0 0.12017 0.14126 0.02783 -0.13776 0.05825 151 8D+1 0.20615 -0.07469 0.06146 -0.10158 0.04579 152 8D-1 0.10864 -0.06460 -0.06036 0.15164 -0.00002 153 8D+2 -0.05813 -0.15395 0.05717 -0.04931 0.26538 154 8D-2 0.05347 -0.20833 -0.08738 -0.02872 -0.22312 155 8 Cu 1S -0.01487 0.00728 0.01195 -0.17944 0.03342 156 2S 0.01506 0.00225 0.00756 -0.26055 0.04743 157 3S 0.60884 -0.26716 -2.23733 5.20019 -0.94133 158 4PX 0.00042 0.00108 -0.00145 0.00491 0.00700 159 4PY 0.00481 -0.00066 0.00849 0.00490 0.00073 160 4PZ 0.00668 -0.00237 0.00215 0.02966 -0.00720 161 5PX -0.03795 0.15526 0.13822 0.03299 0.36439 162 5PY -0.02712 0.04007 -0.43211 -0.62418 0.19739 163 5PZ -0.57579 0.13691 0.28018 -1.12931 0.16799 164 6PX -0.69060 -0.04032 -0.02954 0.24530 0.42092 165 6PY 2.17370 -0.50843 0.05553 -1.07167 0.22750 166 6PZ -1.37555 0.36601 -0.10642 -0.35492 0.03947 167 7D 0 -0.07005 0.02932 -0.02293 0.00514 -0.05571 168 7D+1 -0.00394 -0.06156 0.03803 0.04950 0.19922 169 7D-1 0.00532 0.00592 -0.19229 -0.01495 0.05423 170 7D+2 -0.12409 0.08017 0.01271 -0.01503 0.05348 171 7D-2 -0.08870 -0.12450 -0.02345 -0.02277 -0.02180 172 8D 0 0.10979 -0.03731 0.00817 0.05251 0.08113 173 8D+1 -0.00283 0.05925 -0.06931 -0.05259 -0.33414 174 8D-1 0.00764 -0.01987 0.31389 -0.00551 -0.08156 175 8D+2 0.17385 -0.12451 -0.01993 -0.01847 -0.07165 176 8D-2 0.13127 0.19143 0.03873 0.00940 0.02368 177 9 C 1S -0.00380 0.00198 0.06643 0.01095 -0.00272 178 2S 0.01468 -0.00432 -0.50602 -0.09650 0.02513 179 3S -0.01479 0.00652 0.68495 0.12952 -0.03252 180 4PX 0.00630 0.01237 -0.00777 0.00837 0.10972 181 4PY -0.01058 0.00982 0.04648 -0.01765 0.02638 182 4PZ -0.01294 0.00231 0.00666 -0.10933 0.00368 183 5PX -0.05056 -0.28059 0.08552 -0.02226 -0.37504 184 5PY 0.09048 -0.09643 -0.36989 0.02340 -0.08104 185 5PZ 0.28020 -0.02147 0.04212 0.38357 -0.01889 186 10 O 1S -0.00041 0.00030 0.00126 0.00001 0.00000 187 2S -0.00203 0.00104 0.05119 0.00811 -0.00179 188 3S 0.01866 -0.01091 -0.30266 -0.04837 0.01157 189 4PX -0.02845 -0.26989 -0.10320 -0.03765 -0.21390 190 4PY 0.02166 -0.05089 0.41777 0.10987 -0.07093 191 4PZ 0.27457 -0.02535 -0.11813 0.20824 -0.00783 192 5PX 0.05077 0.45163 0.13278 0.05681 0.36369 193 5PY -0.04914 0.09230 -0.53748 -0.15735 0.11282 194 5PZ -0.45714 0.04092 0.15966 -0.35750 0.01486 151 152 153 154 155 V V V V V EIGENVALUES -- 0.76904 0.76961 0.77082 0.81594 0.81609 1 1 Cu 1S -0.00064 -0.00027 0.00075 -0.00162 0.00030 2 2S -0.00142 -0.00023 0.00098 -0.00128 0.00047 3 3S -0.00818 0.02471 -0.03827 0.10586 -0.01486 4 4PX -0.00027 0.01163 -0.00032 -0.00613 0.00815 5 4PY -0.00260 0.00246 0.00017 -0.00396 0.00039 6 4PZ -0.01176 -0.00080 0.00003 -0.00764 -0.00678 7 5PX 0.00516 -0.35788 0.00052 -0.01840 0.00892 8 5PY 0.07780 -0.07936 -0.00013 -0.01394 0.00372 9 5PZ 0.35240 0.02377 0.00048 -0.01656 -0.02174 10 6PX -0.01377 1.23931 0.01570 0.49950 -0.68700 11 6PY -0.25265 0.27837 -0.00661 0.26160 -0.05015 12 6PZ -1.23606 -0.08400 0.00101 0.66332 0.55274 13 7D 0 0.01830 -0.02595 -0.00090 -0.06066 -0.00269 14 7D+1 -0.00096 0.08840 0.00353 0.05632 -0.09535 15 7D-1 0.11348 0.02061 0.00156 -0.06733 -0.08280 16 7D+2 -0.05434 0.05284 0.00057 0.08219 0.00391 17 7D-2 -0.01516 -0.07288 -0.00158 -0.01422 0.04778 18 8D 0 -0.00828 0.04034 0.00180 0.07538 -0.00654 19 8D+1 0.01385 -0.14472 -0.00533 -0.09270 0.13789 20 8D-1 -0.22068 -0.03686 -0.00235 0.12319 0.14633 21 8D+2 0.09426 -0.10440 -0.00068 -0.13880 0.00376 22 8D-2 0.02554 0.15840 0.00345 0.04152 -0.09825 23 2 Cu 1S -0.03133 -0.04280 -0.00144 -0.00136 0.05694 24 2S -0.09018 -0.12457 -0.00355 -0.00157 0.10683 25 3S 0.54664 0.76158 0.02950 0.10098 -2.05821 26 4PX -0.00328 -0.00080 0.00124 0.00093 -0.00033 27 4PY -0.01018 -0.01215 0.00042 0.00151 -0.01228 28 4PZ 0.00244 0.00848 0.00130 0.00105 0.00553 29 5PX -0.03584 -0.08330 -0.00932 -0.02936 0.32696 30 5PY 0.17109 0.21869 0.00347 0.01803 -0.33755 31 5PZ -0.00366 -0.05460 -0.00327 -0.01265 -0.10961 32 6PX -0.00254 -0.36967 -0.04364 -0.09175 0.04914 33 6PY 0.26389 0.18815 -0.01347 -0.03799 -0.36847 34 6PZ 0.30400 -0.08563 -0.04060 -0.12604 0.10279 35 7D 0 0.03363 0.11208 0.08928 0.07642 0.09224 36 7D+1 0.09417 0.11391 -0.09802 -0.04274 -0.06082 37 7D-1 0.03614 0.06745 0.15751 0.04161 -0.02034 38 7D+2 0.06445 0.05051 -0.16271 -0.07339 0.08189 39 7D-2 0.07900 0.09131 0.04806 -0.02095 0.10199 40 8D 0 -0.05852 -0.18005 -0.14758 -0.13221 -0.11383 41 8D+1 -0.15229 -0.18177 0.15996 0.07347 0.10499 42 8D-1 -0.05425 -0.10957 -0.25581 -0.07104 0.01785 43 8D+2 -0.10569 -0.08170 0.26481 0.12393 -0.11117 44 8D-2 -0.12669 -0.15255 -0.07762 0.02891 -0.09890 45 3 Cu 1S 0.08919 0.12429 0.00137 -0.00098 -0.00075 46 2S 0.15426 0.21537 0.00200 -0.00316 0.03409 47 3S -1.81780 -2.52106 -0.07418 -0.12126 2.46445 48 4PX -0.00008 -0.00523 -0.00635 -0.00543 0.00108 49 4PY 0.00803 0.00842 -0.00311 -0.00391 0.01316 50 4PZ 0.00234 -0.00344 -0.00802 -0.00704 -0.00625 51 5PX 0.01094 0.23492 0.14742 0.12435 -0.17234 52 5PY -0.01363 0.09902 0.08204 0.09980 -0.51749 53 5PZ -0.24216 -0.04122 0.17992 0.14557 0.34212 54 6PX -0.19777 -0.02701 -0.11391 0.13629 0.96556 55 6PY 0.51552 0.90045 -0.06644 0.19618 -2.09765 56 6PZ -0.36641 -0.12607 -0.16097 0.21279 0.13380 57 7D 0 0.09406 -0.00740 0.05309 -0.20363 0.11408 58 7D+1 0.01902 0.01321 0.06159 0.02478 -0.00969 59 7D-1 -0.00920 0.07117 -0.13572 0.03267 -0.06790 60 7D+2 0.04744 0.05379 0.09153 0.04869 0.07016 61 7D-2 -0.03056 0.06313 -0.09853 0.08346 0.22975 62 8D 0 -0.15288 0.04679 -0.08234 0.33431 -0.16695 63 8D+1 -0.01308 0.00160 -0.09993 -0.03353 0.00152 64 8D-1 0.01254 -0.13090 0.21960 -0.06537 0.09744 65 8D+2 -0.07630 -0.09006 -0.14944 -0.07115 -0.09521 66 8D-2 0.09032 -0.06725 0.15772 -0.14726 -0.33826 67 4 Cu 1S 0.06443 -0.13849 -0.00141 0.00056 0.00114 68 2S 0.11163 -0.23973 -0.00137 0.03169 -0.01465 69 3S -1.31509 2.81514 0.05583 2.19603 -1.12153 70 4PX -0.00251 0.00010 -0.00458 -0.00574 0.00717 71 4PY 0.00548 -0.01091 0.00111 0.00925 -0.00617 72 4PZ 0.00335 0.00374 0.00958 -0.00761 -0.00608 73 5PX -0.02055 0.26727 0.11191 0.36569 -0.28851 74 5PY -0.02602 0.01138 -0.02775 -0.33917 0.19149 75 5PZ -0.22825 0.00990 -0.22059 0.29389 0.06758 76 6PX -0.06240 0.39052 -0.06360 -0.03327 -0.11388 77 6PY 0.37440 -0.90039 0.03393 -2.03472 1.06216 78 6PZ -0.35392 0.14099 0.19564 0.35538 0.13316 79 7D 0 0.08989 -0.02924 -0.06533 0.02612 -0.17885 80 7D+1 0.03903 0.05586 -0.02296 -0.03556 -0.15290 81 7D-1 -0.03220 -0.06054 0.17620 -0.00010 0.01107 82 7D+2 0.00173 -0.06434 -0.00093 0.23731 -0.02892 83 7D-2 0.04723 -0.02125 -0.08629 -0.11238 0.02001 84 8D 0 -0.14432 0.00604 0.10279 -0.03026 0.29175 85 8D+1 -0.08221 -0.08638 0.03442 0.07119 0.24382 86 8D-1 0.05482 0.10808 -0.28541 -0.00565 -0.03405 87 8D+2 0.01831 0.07745 0.00355 -0.34713 0.02761 88 8D-2 -0.09962 0.07024 0.13925 0.17692 -0.02093 89 5 Cu 1S 0.05144 -0.00424 -0.00202 -0.04569 -0.03287 90 2S 0.15070 -0.01278 -0.00414 -0.08568 -0.06223 91 3S -0.91282 0.07474 0.02093 1.68218 1.15882 92 4PX -0.00254 0.00408 -0.00174 -0.00112 -0.00287 93 4PY 0.01702 -0.00053 -0.00031 0.01139 0.00668 94 4PZ 0.00430 -0.00101 0.00014 0.00082 0.00102 95 5PX 0.06533 -0.04106 0.00555 -0.10284 -0.04659 96 5PY -0.27157 0.01589 -0.00023 0.23516 0.15950 97 5PZ 0.08283 0.00094 -0.00235 -0.30357 -0.21315 98 6PX 0.06964 -0.37655 0.04759 -0.14717 0.09504 99 6PY -0.25837 -0.05691 0.01671 0.30202 0.23116 100 6PZ 0.35450 0.02337 -0.00433 -0.01372 -0.04431 101 7D 0 0.08395 0.00354 -0.05095 -0.03485 -0.06639 102 7D+1 0.05779 -0.05510 0.19478 -0.05229 0.12785 103 7D-1 -0.05431 -0.00384 0.06242 -0.13352 -0.05103 104 7D+2 -0.19427 0.01246 0.08778 -0.05850 -0.02109 105 7D-2 -0.09301 0.00045 -0.13082 -0.03745 -0.01355 106 8D 0 -0.13492 -0.00559 0.08346 0.06269 0.11600 107 8D+1 -0.09421 0.08774 -0.31862 0.10885 -0.20561 108 8D-1 0.09230 0.00602 -0.10186 0.16146 0.04358 109 8D+2 0.31312 -0.01768 -0.14264 0.07255 0.01710 110 8D-2 0.15010 -0.00696 0.21129 0.04008 0.00960 111 6 Cu 1S 0.00018 -0.00014 -0.00096 0.00044 -0.00004 112 2S 0.00071 -0.00043 -0.00232 0.00129 -0.00019 113 3S 0.00144 0.00301 -0.01618 0.01424 0.00320 114 4PX 0.00011 -0.00555 0.00007 0.00506 -0.00599 115 4PY 0.00131 -0.00127 0.00001 0.00231 -0.00021 116 4PZ 0.00580 0.00037 -0.00003 0.00569 0.00523 117 5PX -0.00030 0.16844 0.00385 0.01315 -0.02079 118 5PY -0.03821 0.03859 0.00342 0.00619 -0.00289 119 5PZ -0.17165 -0.00836 -0.00221 0.02270 0.01606 120 6PX 0.00502 -0.42987 -0.00011 -0.55409 0.68158 121 6PY 0.09503 -0.09860 -0.00261 -0.28118 0.03318 122 6PZ 0.42490 0.03029 -0.00162 -0.65514 -0.59249 123 7D 0 0.13527 -0.04765 -0.00007 0.19470 0.09285 124 7D+1 0.05928 0.13329 -0.00077 0.01469 0.15328 125 7D-1 0.00371 0.01831 0.00051 -0.10708 -0.08837 126 7D+2 -0.06555 -0.00371 0.00054 0.02210 -0.08203 127 7D-2 -0.02288 0.07750 -0.00269 -0.16233 0.17135 128 8D 0 -0.23048 0.08152 0.00016 -0.30967 -0.14465 129 8D+1 -0.10099 -0.22742 0.00101 -0.01616 -0.24967 130 8D-1 -0.00668 -0.03145 -0.00044 0.15617 0.12654 131 8D+2 0.11184 0.00629 -0.00024 -0.02437 0.12753 132 8D-2 0.03864 -0.13212 0.00348 0.25015 -0.25907 133 7 Cu 1S -0.02290 0.04831 -0.00206 0.05384 -0.02405 134 2S -0.06571 0.14007 -0.00400 0.10163 -0.04468 135 3S 0.40335 -0.86122 0.01154 -1.90126 0.90808 136 4PX 0.00602 -0.00902 0.00091 0.00587 -0.00398 137 4PY -0.00609 0.01152 -0.00003 -0.00903 0.00509 138 4PZ -0.00051 -0.00717 -0.00162 0.00455 -0.00066 139 5PX -0.03000 0.03259 -0.00160 -0.17046 0.09010 140 5PY 0.12868 -0.25805 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160 4PZ 0.00426 0.00016 -0.00144 -0.00105 -0.00263 161 5PX 0.00617 0.22125 -0.23124 0.04477 -0.20887 162 5PY -0.11780 0.05870 -0.05036 0.51610 0.28960 163 5PZ -0.25043 -0.00356 0.03112 0.19909 0.15914 164 6PX 0.24991 0.25074 0.20345 -0.32243 -0.54060 165 6PY -1.03263 0.14335 0.05053 1.70664 1.05136 166 6PZ 0.07204 -0.03688 -0.05232 -0.87303 -0.52475 167 7D 0 -0.02200 -0.01014 0.01153 -0.01438 0.04710 168 7D+1 0.01960 0.04583 -0.03816 0.15188 -0.11019 169 7D-1 -0.01763 -0.00380 -0.03754 -0.19659 -0.14880 170 7D+2 -0.09637 -0.02444 -0.08646 -0.07631 -0.01665 171 7D-2 -0.03652 0.09601 0.18130 0.00874 -0.14911 172 8D 0 0.07307 0.01716 -0.01945 0.01237 -0.08110 173 8D+1 -0.01051 -0.09239 0.06489 -0.23708 0.17880 174 8D-1 -0.01631 0.00975 0.06121 0.28500 0.21469 175 8D+2 0.13624 0.04710 0.13973 0.12083 0.01513 176 8D-2 0.04130 -0.17246 -0.29189 -0.03289 0.25006 177 9 C 1S 0.00052 -0.00017 0.00038 -0.00107 0.00000 178 2S -0.00244 0.00344 -0.00730 0.02250 -0.00250 179 3S 0.00800 -0.00566 0.01109 -0.04456 0.00615 180 4PX 0.00058 -0.01618 0.00021 0.02354 -0.03179 181 4PY 0.00154 -0.00350 0.00234 0.00765 0.00000 182 4PZ 0.01590 0.00086 -0.00070 0.02884 0.02302 183 5PX -0.00343 0.65879 0.00402 -0.02222 0.04727 184 5PY -0.15518 0.15194 0.00003 -0.01290 0.00727 185 5PZ -0.65539 -0.03968 -0.00221 -0.03557 -0.02361 186 10 O 1S 0.00010 0.00000 -0.00008 0.00011 -0.00004 187 2S 0.00062 -0.00002 -0.00002 -0.00012 -0.00024 188 3S -0.00463 0.00104 -0.00022 0.00403 0.00089 189 4PX -0.00478 0.56040 0.00487 0.03646 -0.03480 190 4PY -0.12654 0.12801 0.00300 0.01042 0.00106 191 4PZ -0.56202 -0.03397 -0.00292 0.04049 0.03780 192 5PX 0.00912 -1.03633 -0.00971 -0.06415 0.05991 193 5PY 0.23192 -0.23717 -0.00174 -0.02518 -0.00026 194 5PZ 1.03868 0.06277 0.00452 -0.07015 -0.06850 156 157 158 159 160 V V V V V EIGENVALUES -- 0.81756 0.82590 0.83651 0.83936 0.87184 1 1 Cu 1S -0.08400 0.00072 -0.00041 -0.00317 0.00007 2 2S -0.08781 0.00127 -0.00005 -0.00166 0.00082 3 3S 5.00125 -0.03294 0.04891 0.25490 0.02076 4 4PX 0.00273 0.00069 -0.00385 0.00021 -0.00320 5 4PY -0.01097 0.00013 -0.00120 -0.00202 -0.00113 6 4PZ 0.00265 -0.00026 0.00021 -0.00368 0.00015 7 5PX 0.28216 -0.01473 0.44686 0.02604 0.37825 8 5PY -1.18080 0.00887 0.09440 0.07236 0.10320 9 5PZ 0.24918 0.00324 -0.04248 0.46514 -0.01396 10 6PX -0.02452 -0.14461 1.93032 0.06870 -0.12680 11 6PY -0.13035 -0.02492 0.43245 0.44819 -0.02394 12 6PZ -0.09412 0.06133 -0.16335 1.99649 0.02490 13 7D 0 0.03239 0.00026 -0.01650 -0.06988 -0.00867 14 7D+1 -0.00583 -0.01025 0.04283 -0.03399 0.00464 15 7D-1 0.02262 -0.00327 -0.00167 0.04185 -0.00431 16 7D+2 0.04829 -0.00098 -0.02226 0.01408 -0.04036 17 7D-2 0.02533 -0.00059 0.07230 0.00890 0.09013 18 8D 0 -0.10934 -0.00008 0.03263 0.14077 0.02014 19 8D+1 0.02080 0.01631 -0.08878 0.06880 -0.01614 20 8D-1 -0.08337 0.00571 0.00151 -0.08367 0.00780 21 8D+2 -0.17496 0.00244 0.04364 -0.03427 0.08241 22 8D-2 -0.09164 0.00068 -0.14445 -0.02038 -0.18829 23 2 Cu 1S 0.09595 -0.00284 0.05703 -0.03442 0.02793 24 2S 0.21417 -0.00695 0.12409 -0.07577 0.06753 25 3S -2.36939 -0.01845 -1.27180 0.72356 -0.43179 26 4PX -0.01494 -0.00146 -0.00326 -0.00216 -0.00094 27 4PY 0.01488 -0.00199 0.00777 -0.00670 0.00741 28 4PZ 0.00553 -0.00132 -0.00449 -0.00107 -0.00170 29 5PX 0.38238 0.00057 0.21272 -0.13072 0.04981 30 5PY 0.06284 -0.00911 -0.23559 0.14718 -0.12177 31 5PZ -0.31410 -0.00959 -0.08066 0.01360 -0.05156 32 6PX 0.26282 0.03295 -0.01341 -0.25096 -0.16748 33 6PY -0.13564 -0.01632 0.28928 -0.35242 -0.11347 34 6PZ -0.11641 0.07229 -0.39458 -0.11342 0.10513 35 7D 0 -0.08477 -0.26679 0.06326 0.06265 -0.01498 36 7D+1 -0.13646 0.00076 0.07332 -0.00016 -0.04711 37 7D-1 -0.01350 0.08230 0.09091 -0.19823 0.14317 38 7D+2 -0.00977 0.02986 0.13820 -0.02005 -0.04536 39 7D-2 -0.10940 0.18158 -0.11073 -0.05039 0.05139 40 8D 0 0.12614 0.46874 -0.10268 -0.12372 0.02268 41 8D+1 0.24034 -0.00175 -0.11738 -0.00660 0.09282 42 8D-1 0.04840 -0.14554 -0.16198 0.35434 -0.26025 43 8D+2 0.01389 -0.05014 -0.24063 0.03511 0.08288 44 8D-2 0.14264 -0.31467 0.21667 0.07825 -0.09772 45 3 Cu 1S 0.00546 -0.00114 0.02738 -0.01714 0.02639 46 2S -0.00257 0.00195 0.01544 -0.00935 0.01964 47 3S 0.48137 0.12992 -0.22986 0.17975 -1.49404 48 4PX 0.01044 -0.00581 0.01127 -0.00440 -0.01104 49 4PY -0.01344 -0.00106 -0.00938 0.00699 -0.00401 50 4PZ -0.00238 -0.00637 -0.00302 0.00553 -0.00958 51 5PX 0.09486 0.07238 0.16604 -0.19023 0.50868 52 5PY -0.23859 0.02940 -0.14508 0.03677 0.04626 53 5PZ 0.03037 0.14311 -0.14225 -0.02130 -0.08253 54 6PX 0.56738 0.06204 -0.35161 0.28288 0.67580 55 6PY -0.29821 -0.12811 0.16469 -0.13619 -0.59845 56 6PZ -0.31394 -0.01513 0.21235 -0.13770 -0.22469 57 7D 0 -0.05923 0.00214 -0.08438 -0.16712 -0.05722 58 7D+1 -0.01360 0.00811 0.08120 -0.02870 -0.01286 59 7D-1 0.00529 -0.02658 -0.03308 0.06349 -0.04787 60 7D+2 -0.05282 0.02740 -0.03770 0.07450 -0.00907 61 7D-2 -0.11483 -0.00173 0.12570 0.03650 0.00403 62 8D 0 0.08663 0.01221 0.13638 0.28197 0.10047 63 8D+1 0.02625 -0.01905 -0.12241 0.04094 0.03793 64 8D-1 -0.01283 0.04611 0.05156 -0.10567 0.07478 65 8D+2 0.06928 -0.04982 0.04922 -0.11423 0.00129 66 8D-2 0.17687 0.00169 -0.21369 -0.05876 -0.01067 67 4 Cu 1S 0.00636 0.00055 -0.02853 -0.01414 -0.03115 68 2S -0.00163 -0.00202 -0.01529 -0.00765 -0.02515 69 3S 0.41948 -0.11770 0.26631 0.12654 1.69870 70 4PX -0.00440 -0.00349 0.00764 0.00188 -0.00693 71 4PY -0.01690 -0.00042 0.01404 0.00647 -0.00098 72 4PZ -0.00005 0.00758 0.00005 0.00374 0.00855 73 5PX 0.01059 0.03856 0.14190 0.12449 0.50483 74 5PY -0.24636 -0.00731 0.20848 0.09218 0.19270 75 5PZ 0.03398 -0.15479 0.09697 -0.07633 0.01861 76 6PX -0.46256 0.00940 -0.33455 -0.19177 0.46380 77 6PY -0.44202 0.11837 -0.37370 -0.16983 0.91679 78 6PZ -0.15085 0.01563 -0.11121 -0.05037 0.08197 79 7D 0 -0.06956 -0.01210 0.01526 -0.15467 0.05774 80 7D+1 0.00785 -0.00365 0.08586 -0.11607 -0.01590 81 7D-1 -0.01256 0.03208 0.03554 0.04088 0.03726 82 7D+2 -0.12022 -0.01250 -0.03255 0.05944 0.00183 83 7D-2 0.03803 -0.01524 0.13254 0.03085 0.02373 84 8D 0 0.10466 0.00985 -0.02596 0.25794 -0.10579 85 8D+1 -0.01404 -0.00610 -0.13646 0.19698 0.03385 86 8D-1 0.01446 -0.05918 -0.05322 -0.06740 -0.05348 87 8D+2 0.17618 0.02381 0.07090 -0.09253 0.01199 88 8D-2 -0.06923 0.02608 -0.21015 -0.04498 -0.02556 89 5 Cu 1S 0.09325 -0.00068 0.00321 0.07228 0.00430 90 2S 0.20794 -0.00116 0.00727 0.15803 0.01036 91 3S -2.32579 0.02065 -0.06341 -1.63425 -0.05935 92 4PX -0.00492 0.00226 -0.00499 -0.00259 0.00071 93 4PY 0.01159 0.00076 0.00008 0.01142 0.00124 94 4PZ -0.01726 -0.00020 0.00048 -0.00226 -0.00021 95 5PX 0.03416 0.01302 -0.01547 0.09718 -0.07399 96 5PY 0.16078 0.00190 -0.01373 -0.23445 -0.02923 97 5PZ 0.46511 -0.00646 0.01705 0.32066 0.02366 98 6PX 0.07156 -0.03024 -0.39520 -0.04883 -0.07642 99 6PY -0.14084 0.00746 -0.04717 0.50494 -0.02619 100 6PZ 0.28204 0.00430 0.07357 0.20531 -0.01321 101 7D 0 0.11596 0.04818 0.00721 0.06770 0.02725 102 7D+1 0.06167 -0.19747 -0.01928 0.02691 -0.08940 103 7D-1 -0.05167 -0.01139 0.01183 -0.13582 -0.05787 104 7D+2 -0.12174 0.07158 0.08694 0.16594 -0.10175 105 7D-2 -0.06387 -0.23203 -0.18487 0.06579 0.22021 106 8D 0 -0.19125 -0.08450 -0.01476 -0.13430 -0.05232 107 8D+1 -0.09237 0.34545 0.03874 -0.05737 0.17025 108 8D-1 0.03559 0.01904 -0.02125 0.25728 0.10641 109 8D+2 0.20913 -0.12602 -0.15448 -0.27990 0.18746 110 8D-2 0.10146 0.40653 0.33063 -0.10800 -0.40316 111 6 Cu 1S -0.00461 -0.00099 -0.00061 -0.00183 -0.00101 112 2S 0.03455 -0.00201 -0.00098 -0.00244 -0.00162 113 3S 1.41068 0.00275 0.01282 0.06425 0.03269 114 4PX 0.00114 -0.00008 -0.01004 -0.00054 0.00177 115 4PY -0.00465 0.00006 -0.00219 -0.00257 0.00060 116 4PZ 0.00133 -0.00002 0.00118 -0.01014 -0.00026 117 5PX 0.06710 -0.00555 0.14540 0.01108 0.14664 118 5PY -0.27970 -0.00253 0.02889 0.02259 0.02570 119 5PZ 0.05959 0.00296 -0.01544 0.15201 -0.00151 120 6PX 0.00596 0.05053 -0.04110 0.00687 0.25362 121 6PY 0.04905 0.00501 -0.01408 -0.00864 0.05388 122 6PZ 0.01086 -0.01806 -0.01183 -0.03344 -0.01512 123 7D 0 -0.02851 0.00011 0.00707 -0.07238 -0.12709 124 7D+1 0.00761 0.00503 -0.02446 -0.04712 0.35833 125 7D-1 -0.02644 0.00018 -0.02731 0.15913 0.06211 126 7D+2 -0.04912 -0.00194 -0.07745 -0.03933 0.09097 127 7D-2 -0.02370 0.00535 0.16218 0.00253 -0.00302 128 8D 0 0.03276 0.00002 -0.01294 0.12267 0.23857 129 8D+1 -0.00995 -0.00809 0.04568 0.08147 -0.67040 130 8D-1 0.03259 -0.00098 0.04736 -0.27850 -0.11542 131 8D+2 0.05704 0.00243 0.13426 0.06873 -0.16350 132 8D-2 0.02711 -0.00704 -0.28050 -0.00409 -0.01006 133 7 Cu 1S 0.09527 -0.00043 -0.05897 -0.02835 -0.03242 134 2S 0.21329 -0.00012 -0.12881 -0.06207 -0.07843 135 3S -2.33927 0.05141 1.28198 0.59984 0.47725 136 4PX 0.00862 -0.00161 0.00222 0.00381 0.00299 137 4PY 0.02011 0.00094 -0.00874 -0.00398 -0.00796 138 4PZ 0.00185 0.00189 0.00478 -0.00273 0.00185 139 5PX -0.44588 0.00478 0.11110 0.05029 0.01822 140 5PY -0.10369 0.00906 0.31545 0.15680 0.14802 141 5PZ -0.18966 0.01032 0.02563 -0.01809 0.02776 142 6PX -0.21503 0.01557 0.25081 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2S 0.01651 -0.04018 0.11827 -0.17727 -0.28562 47 3S -1.04193 -1.66540 -2.89392 1.67586 2.70225 48 4PX 0.01031 -0.00451 -0.00965 0.01287 0.00486 49 4PY 0.00725 -0.01021 -0.00636 0.00657 0.00236 50 4PZ 0.01662 0.00829 0.01005 0.00374 -0.01469 51 5PX 0.07053 0.61171 -0.01719 0.26360 0.49277 52 5PY -0.12023 -0.48302 0.97550 -0.55225 -0.84558 53 5PZ -0.43389 -0.27075 -0.38236 -0.05283 0.01691 54 6PX 0.44387 0.34516 0.11486 0.72313 0.79293 55 6PY -0.44168 -0.61673 0.44435 -1.32992 -2.31492 56 6PZ -0.20822 0.00439 -0.27012 0.37530 0.08747 57 7D 0 0.03886 -0.05926 -0.08132 0.07337 0.05517 58 7D+1 -0.03809 0.01676 -0.13358 0.09945 0.17463 59 7D-1 -0.01113 -0.06911 -0.13990 0.07413 0.11611 60 7D+2 -0.05171 -0.12268 -0.10469 0.02036 0.05938 61 7D-2 -0.01949 -0.03914 -0.03307 0.00748 0.03893 62 8D 0 -0.07528 0.11598 0.19450 -0.16135 -0.14587 63 8D+1 0.07478 -0.01816 0.28356 -0.19297 -0.33857 64 8D-1 0.02009 0.13764 0.29942 -0.14258 -0.22186 65 8D+2 0.07485 0.23119 0.24494 -0.06137 -0.14830 66 8D-2 0.03822 0.07589 0.09902 -0.05028 -0.12931 67 4 Cu 1S 0.01137 -0.00765 0.09823 -0.06973 0.13522 68 2S 0.00844 -0.04137 0.11756 -0.15532 0.29854 69 3S -0.65028 -1.64981 -2.90232 1.44551 -2.83143 70 4PX -0.00881 0.01026 0.01393 -0.01163 0.01026 71 4PY 0.00352 -0.00692 -0.00161 0.00141 0.00036 72 4PZ 0.02145 0.00592 0.00626 0.00859 0.01226 73 5PX -0.02482 -0.41562 -0.48808 -0.02426 0.09146 74 5PY -0.12532 -0.69949 0.87374 -0.53093 1.02145 75 5PZ -0.40445 -0.11338 -0.30593 -0.01801 -0.10587 76 6PX -0.17044 -0.04449 -0.36152 -0.01935 -0.24452 77 6PY -0.40432 -0.67729 0.32943 -1.25982 2.55393 78 6PZ -0.08070 0.05439 -0.18860 0.46860 -0.20688 79 7D 0 0.02559 -0.05861 -0.15725 0.10766 -0.15623 80 7D+1 0.06275 0.01804 0.13815 -0.05994 0.17372 81 7D-1 0.02088 -0.06084 -0.07367 0.02979 -0.04606 82 7D+2 -0.03478 -0.10327 -0.04252 -0.01300 -0.01090 83 7D-2 -0.01299 -0.08277 -0.06626 0.01070 -0.01928 84 8D 0 -0.04985 0.12138 0.35545 -0.22474 0.34201 85 8D+1 -0.11549 -0.04483 -0.29432 0.11795 -0.33365 86 8D-1 -0.03350 0.11763 0.16346 -0.06241 0.09739 87 8D+2 0.05400 0.19239 0.12550 -0.01030 0.08669 88 8D-2 0.01120 0.15400 0.13925 -0.01480 0.02680 89 5 Cu 1S -0.03346 -0.11590 -0.04497 -0.10706 0.00487 90 2S -0.08150 -0.23045 -0.09754 -0.18272 0.00858 91 3S 0.55039 -0.12412 1.10962 3.81498 -0.17100 92 4PX 0.00227 -0.00058 -0.00038 0.00210 0.00304 93 4PY -0.00947 0.00243 -0.00013 0.00130 0.00061 94 4PZ 0.00132 -0.00073 -0.00333 0.01589 -0.00117 95 5PX -0.05124 0.06173 -0.08490 -0.23243 -0.04762 96 5PY 0.12532 -0.23938 0.30961 0.58049 -0.03780 97 5PZ -0.11095 0.09069 -0.14513 -0.77012 0.04289 98 6PX -0.01029 -0.05916 -0.02361 -0.12437 0.07326 99 6PY 0.16265 0.17530 -0.04657 0.42695 -0.00990 100 6PZ 0.21714 -0.17356 -0.20436 -0.28398 -0.00231 101 7D 0 -0.02478 -0.09425 0.10331 -0.16826 0.02664 102 7D+1 -0.01795 0.00920 0.00164 -0.09382 -0.06529 103 7D-1 0.02840 -0.04150 0.00395 0.10520 -0.03149 104 7D+2 -0.05353 -0.16091 0.15228 0.14530 -0.04574 105 7D-2 0.00917 -0.07528 0.06497 0.08134 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-0.80917 8 5PY 0.22324 -0.11555 0.58420 0.73604 -0.17691 9 5PZ 0.08668 -1.00047 -0.13714 -0.18013 0.00525 10 6PX 0.86019 0.09403 -0.02602 -0.03404 -0.05102 11 6PY 0.21137 -0.15158 0.09989 0.21185 -0.01340 12 6PZ 0.05950 -0.90956 -0.00795 -0.00482 -0.00937 13 7D 0 0.03002 -0.01400 0.04795 0.04807 -0.06502 14 7D+1 -0.09150 -0.01025 -0.00617 -0.00953 0.16053 15 7D-1 -0.00478 -0.12453 0.03252 0.04493 0.01846 16 7D+2 -0.06262 0.05229 0.07423 0.09098 -0.00573 17 7D-2 0.07512 0.02700 0.03611 0.05005 0.09657 18 8D 0 -0.04453 0.01568 -0.04779 -0.05816 0.12597 19 8D+1 0.14008 0.01091 0.00323 0.01109 -0.31600 20 8D-1 0.00592 0.20390 -0.02628 -0.05629 -0.03701 21 8D+2 0.10090 -0.07880 -0.06747 -0.11541 0.00278 22 8D-2 -0.12923 -0.04208 -0.03097 -0.06473 -0.17044 23 2 Cu 1S 0.02416 0.02563 -0.05641 0.04181 0.01996 24 2S 0.02198 0.02796 -0.17011 0.08252 0.02629 25 3S -1.78192 -1.62258 -0.04692 -0.46533 -0.55254 26 4PX -0.00978 -0.01302 -0.01384 -0.00373 -0.00415 27 4PY 0.00048 -0.00181 -0.01447 -0.00529 -0.00380 28 4PZ 0.01245 0.00544 0.01679 0.00427 -0.00723 29 5PX 0.35417 0.46166 0.21145 0.11690 0.11961 30 5PY -0.19756 -0.11057 0.21768 -0.26779 -0.37415 31 5PZ -0.35666 -0.12861 -0.25102 0.02744 0.23961 32 6PX -0.23789 0.03445 -0.03851 -0.12991 -0.07084 33 6PY -0.14433 0.00907 -0.03843 -0.09896 -0.03477 34 6PZ -0.07593 0.30681 0.04910 0.11698 0.00110 35 7D 0 0.12228 -0.19612 0.02160 -0.05720 -0.19928 36 7D+1 -0.09896 -0.07769 -0.20118 -0.06617 0.06370 37 7D-1 -0.18573 -0.07929 -0.15453 0.05400 -0.07108 38 7D+2 -0.10991 -0.06073 0.01740 0.04077 -0.09264 39 7D-2 -0.04799 0.13086 0.11987 -0.11708 0.01097 40 8D 0 -0.24274 0.39984 -0.04443 0.13857 0.44374 41 8D+1 0.20535 0.15810 0.41218 0.13173 -0.12636 42 8D-1 0.37527 0.16737 0.31378 -0.13213 0.15056 43 8D+2 0.22990 0.12289 -0.03847 -0.07782 0.21039 44 8D-2 0.09858 -0.25954 -0.24391 0.28418 -0.00492 45 3 Cu 1S 0.06361 0.06265 0.03304 0.03317 0.02508 46 2S 0.06317 0.06513 0.04508 0.07380 -0.02024 47 3S -2.12024 -2.07756 -0.44545 -0.27260 -1.74773 48 4PX -0.01393 -0.01630 -0.01050 0.00028 -0.01670 49 4PY 0.00257 0.00015 0.00634 -0.00911 -0.00044 50 4PZ 0.01249 0.00788 0.00501 0.00426 0.01756 51 5PX 0.99951 0.71411 -0.01325 0.33886 1.28203 52 5PY -0.20558 -0.30929 0.22620 -0.38947 -0.53625 53 5PZ -0.39745 -0.70633 -0.09187 -0.06941 -0.44780 54 6PX 0.89543 0.71528 0.04606 0.52091 0.55307 55 6PY -0.75911 -0.77486 0.14366 -0.44059 -0.32313 56 6PZ -0.20915 -0.41062 -0.10502 -0.19509 -0.19673 57 7D 0 -0.07448 0.04036 0.00652 0.03391 -0.07111 58 7D+1 -0.02973 -0.08230 -0.01708 -0.09513 -0.07701 59 7D-1 -0.06904 -0.02836 -0.03480 0.05312 -0.01121 60 7D+2 0.01438 -0.06186 -0.01245 0.13864 -0.01994 61 7D-2 0.01831 -0.01439 0.02730 0.01736 0.07111 62 8D 0 0.16022 -0.09301 0.00569 -0.06657 0.15896 63 8D+1 0.08583 0.20076 0.04588 0.18614 0.19154 64 8D-1 0.13655 0.04527 0.07917 -0.10266 0.02146 65 8D+2 -0.06165 0.11156 0.04504 -0.27682 -0.01453 66 8D-2 -0.02949 0.03770 -0.03214 -0.04035 -0.17780 67 4 Cu 1S -0.08388 0.03033 0.03607 0.03108 -0.02780 68 2S -0.08456 0.03386 0.04853 0.07303 0.02345 69 3S 2.79340 -0.97620 -0.54652 -0.17139 1.99766 70 4PX -0.01996 0.00850 0.00884 0.00362 -0.02378 71 4PY -0.01051 0.00250 0.01051 -0.00861 -0.00783 72 4PZ -0.00868 -0.00092 0.00281 0.00277 -0.01224 73 5PX 1.11926 -0.23641 -0.14045 -0.11202 1.14601 74 5PY 0.80660 -0.26915 0.18618 -0.44568 1.24210 75 5PZ 0.30422 -0.39549 -0.08654 0.01466 0.20321 76 6PX 0.68447 -0.15570 -0.15493 -0.31508 0.46226 77 6PY 1.41719 -0.40859 0.08013 -0.60472 0.62638 78 6PZ 0.08754 -0.21650 -0.07484 -0.07189 0.08710 79 7D 0 0.08239 0.02631 -0.00988 0.00459 0.08526 80 7D+1 -0.05083 0.09424 0.02994 0.03268 -0.04647 81 7D-1 0.04223 0.03777 -0.01720 0.06569 -0.01955 82 7D+2 -0.02014 -0.03696 0.02268 0.11481 -0.05552 83 7D-2 0.02625 -0.01674 -0.03191 0.11735 0.04010 84 8D 0 -0.18496 -0.05667 0.04572 -0.01124 -0.18941 85 8D+1 0.11986 -0.21014 -0.07211 -0.06193 0.10678 86 8D-1 -0.07406 -0.09258 0.04204 -0.12719 0.05495 87 8D+2 0.06434 0.07626 -0.02039 -0.23017 0.18190 88 8D-2 -0.01426 0.02596 0.06342 -0.22823 -0.05308 89 5 Cu 1S 0.00623 -0.02910 -0.05687 0.04341 0.00209 90 2S 0.00353 -0.02448 -0.17106 0.08401 0.00145 91 3S -0.54993 2.28139 -0.04119 -0.54313 -0.04104 92 4PX 0.00516 0.00301 0.00128 0.00034 -0.01438 93 4PY -0.00010 0.00498 -0.01847 -0.00649 -0.00297 94 4PZ -0.00558 0.01903 -0.01845 -0.00498 0.00247 95 5PX -0.15266 -0.15080 -0.01903 0.08056 0.22563 96 5PY -0.05255 0.06934 0.28456 -0.27886 -0.01361 97 5PZ 0.18841 -0.65588 0.27543 0.13297 -0.03740 98 6PX -0.32797 -0.06660 0.00372 -0.00261 -0.08404 99 6PY -0.09971 0.09492 -0.04283 -0.12235 -0.02036 100 6PZ 0.01369 0.18981 -0.04836 -0.15964 0.00775 101 7D 0 0.04277 0.02746 0.11626 0.09739 -0.07405 102 7D+1 -0.18236 -0.03905 -0.00009 0.05635 0.21773 103 7D-1 0.02575 -0.14240 0.22405 -0.10447 0.02584 104 7D+2 0.00362 0.22140 -0.11850 -0.02489 -0.03339 105 7D-2 -0.20118 0.02559 -0.01604 -0.02713 0.09978 106 8D 0 -0.08734 -0.05558 -0.23995 -0.20548 0.15750 107 8D+1 0.37148 0.08140 -0.00034 -0.12945 -0.46672 108 8D-1 -0.04973 0.28841 -0.45731 0.26560 -0.05251 109 8D+2 -0.00148 -0.45700 0.23979 0.05766 0.07706 110 8D-2 0.40174 -0.05745 0.03192 0.06630 -0.21987 111 6 Cu 1S 0.00092 -0.00099 0.01795 -0.12554 0.00500 112 2S 0.00136 -0.00158 0.02953 -0.24486 0.00909 113 3S -0.04137 0.07549 -0.12303 3.10854 -0.10021 114 4PX -0.00253 -0.00030 0.00072 -0.00619 -0.00999 115 4PY -0.00081 0.00069 -0.00256 0.02438 -0.00344 116 4PZ -0.00008 0.00246 0.00079 -0.00577 0.00067 117 5PX 0.49378 0.06659 -0.03163 0.21741 0.68886 118 5PY 0.13840 -0.11339 0.08496 -0.80342 0.19454 119 5PZ 0.03205 -0.50222 -0.02993 0.21498 -0.03051 120 6PX 0.28542 0.04625 0.02103 0.05504 0.03391 121 6PY 0.07750 -0.05204 -0.09666 -0.22467 0.01464 122 6PZ 0.01977 -0.25415 0.01752 0.05358 -0.00897 123 7D 0 -0.06652 0.13988 -0.00500 0.13965 -0.01465 124 7D+1 0.10679 0.08347 0.00102 -0.03141 -0.00881 125 7D-1 0.01339 -0.03261 -0.00722 0.12387 -0.01628 126 7D+2 -0.01992 -0.04921 -0.00942 0.24700 -0.08727 127 7D-2 0.11911 0.00021 -0.00726 0.13358 0.17296 128 8D 0 0.14117 -0.30911 0.01189 -0.30179 0.03672 129 8D+1 -0.21685 -0.18356 -0.00265 0.06880 0.01323 130 8D-1 -0.02864 0.10224 0.01695 -0.27063 0.03665 131 8D+2 0.05933 0.09760 0.02239 -0.53546 0.20614 132 8D-2 -0.28221 -0.00646 0.01756 -0.29097 -0.41521 133 7 Cu 1S -0.03439 0.01138 -0.05636 0.04109 -0.02147 134 2S -0.03582 0.01396 -0.17081 0.08145 -0.02866 135 3S 2.29579 -0.64335 -0.07903 -0.43562 0.64762 136 4PX -0.01602 0.00698 0.02289 0.00644 -0.00153 137 4PY -0.00640 0.00122 -0.00680 -0.00303 0.00230 138 4PZ -0.00847 -0.00267 0.01144 0.00300 0.00518 139 5PX 0.45996 -0.20795 -0.34961 0.00682 -0.16744 140 5PY 0.43816 -0.10282 0.09462 -0.27364 0.45813 141 5PZ 0.22369 0.10966 -0.17119 0.03336 -0.21215 142 6PX -0.25346 -0.06201 0.07327 0.18293 -0.07872 143 6PY 0.03775 0.03795 -0.01874 -0.03689 0.00210 144 6PZ 0.00487 0.33504 0.03154 0.07441 0.00705 145 7D 0 0.06585 -0.20616 -0.08705 -0.07071 0.13303 146 7D+1 -0.19639 -0.11162 0.19865 0.01768 0.06135 147 7D-1 0.10440 0.03119 -0.04064 0.03745 0.08518 148 7D+2 0.01214 0.08492 0.16697 -0.05053 0.11570 149 7D-2 0.12216 -0.09382 -0.07215 0.13168 0.11414 150 8D 0 -0.14094 0.41725 0.17796 0.16027 -0.30850 151 8D+1 0.40172 0.22522 -0.40606 -0.02418 -0.12570 152 8D-1 -0.21156 -0.05525 0.08176 -0.08334 -0.18276 153 8D+2 -0.03020 -0.17238 -0.34236 0.14341 -0.27358 154 8D-2 -0.24929 0.18710 0.14441 -0.29827 -0.23751 155 8 Cu 1S 0.01886 -0.08813 0.03192 0.03642 0.00343 156 2S 0.01901 -0.09141 0.04377 0.07417 -0.00396 157 3S -0.62336 2.95769 -0.39354 -0.44050 -0.25082 158 4PX 0.00253 0.00411 -0.00284 0.00179 0.00557 159 4PY 0.00045 0.00251 0.00461 -0.01027 0.00070 160 4PZ -0.00619 0.02526 -0.01166 -0.00286 -0.00450 161 5PX 0.34002 -0.16713 -0.05785 0.15460 0.40582 162 5PY 0.03448 0.10663 0.23749 -0.36029 0.03588 163 5PZ 0.27003 -1.42988 -0.01750 0.47330 0.13754 164 6PX 0.25671 -0.31076 -0.03032 0.16955 0.12067 165 6PY -0.16224 0.79509 0.17816 -0.36743 0.01249 166 6PZ 0.25917 -1.23448 0.04650 0.63527 0.05338 167 7D 0 -0.02252 -0.03776 -0.00407 0.15494 -0.01409 168 7D+1 0.10571 0.00975 -0.00717 0.02137 0.05848 169 7D-1 0.03165 -0.04065 0.04025 0.04437 -0.00143 170 7D+2 -0.00645 0.09426 -0.02358 0.07011 -0.06094 171 7D-2 0.00357 0.03460 -0.00476 0.03978 0.12897 172 8D 0 0.03876 0.13147 0.00733 -0.30867 0.03555 173 8D+1 -0.23577 -0.01078 0.00660 -0.04279 -0.17304 174 8D-1 -0.06803 0.08186 -0.06358 -0.09471 -0.01033 175 8D+2 0.00799 -0.18624 0.07728 -0.14081 0.12452 176 8D-2 -0.00628 -0.06777 0.02539 -0.08051 -0.29053 177 9 C 1S 0.00038 -0.00006 0.03763 0.01203 -0.00002 178 2S 0.00380 -0.01491 -0.73941 -0.50571 -0.00144 179 3S -0.02912 0.06944 1.22965 1.35931 0.00512 180 4PX -0.13551 -0.02106 0.09721 0.02232 -0.02863 181 4PY -0.04425 0.03278 -0.38635 -0.09837 -0.00564 182 4PZ -0.00975 0.13784 0.09216 0.01941 0.00051 183 5PX 0.23521 0.03467 -0.18001 -0.08106 0.29811 184 5PY 0.06177 -0.03300 0.70563 0.37129 0.07543 185 5PZ 0.02148 -0.24594 -0.16518 -0.06951 -0.00480 186 10 O 1S 0.00004 -0.00019 -0.00225 -0.00503 0.00009 187 2S 0.00066 0.00152 0.04468 0.05960 -0.00145 188 3S -0.00033 -0.00465 -0.14509 -0.16725 0.00241 189 4PX 0.12280 0.01681 -0.00338 -0.00905 0.07426 190 4PY 0.02864 -0.01885 0.00205 0.04944 0.01838 191 4PZ 0.01059 -0.12606 -0.00210 -0.00532 -0.00122 192 5PX -0.23480 -0.03347 0.06483 0.03574 -0.19523 193 5PY -0.05996 0.03752 -0.24048 -0.17633 -0.04720 194 5PZ -0.01967 0.24333 0.05767 0.02670 0.00265 171 172 173 174 175 V V V V V EIGENVALUES -- 1.06625 1.08916 1.09009 1.12217 1.12337 1 1 Cu 1S -0.00188 0.00010 -0.00031 0.00158 -0.00081 2 2S -0.01114 0.00069 -0.00237 0.00614 -0.00264 3 3S -0.04726 0.02788 -0.07637 -0.04001 0.01821 4 4PX 0.00180 -0.00700 -0.00040 0.00077 0.00301 5 4PY -0.01168 -0.00165 0.00215 -0.00074 0.00138 6 4PZ -0.05215 0.00054 0.00797 -0.00229 0.00014 7 5PX -0.02299 0.62990 -0.02525 0.00149 -0.00918 8 5PY 0.13322 0.13046 -0.13386 0.04067 -0.02169 9 5PZ 0.84039 -0.05916 -0.66468 -0.02650 0.02400 10 6PX -0.02002 0.81087 -0.03249 0.13122 0.69640 11 6PY 0.01793 0.18347 -0.19248 -0.13685 0.19516 12 6PZ 0.10561 -0.07524 -0.81524 -0.75601 0.10415 13 7D 0 0.16269 0.02524 -0.03321 -0.17157 0.05566 14 7D+1 0.07611 -0.06453 -0.00932 -0.10023 -0.02161 15 7D-1 0.01503 -0.01982 -0.05849 0.20582 -0.02152 16 7D+2 -0.07733 -0.01935 0.04145 0.01049 0.10841 17 7D-2 -0.02384 0.01489 0.00451 -0.03894 -0.25706 18 8D 0 -0.31048 -0.04938 0.05556 0.40653 -0.13390 19 8D+1 -0.14333 0.12031 0.01442 0.23589 0.05974 20 8D-1 -0.04813 0.03899 0.11877 -0.47383 0.05071 21 8D+2 0.15333 0.03865 -0.07707 -0.02557 -0.25240 22 8D-2 0.04759 -0.03435 -0.00576 0.09090 0.60113 23 2 Cu 1S 0.01381 0.03835 0.02683 0.02341 0.01836 24 2S 0.02025 0.07520 0.05323 0.06129 0.05317 25 3S -0.43502 -0.92129 -0.56640 -0.80114 -0.69383 26 4PX 0.00763 -0.00424 -0.01098 -0.00635 -0.00941 27 4PY 0.00277 0.00322 -0.00245 0.01257 0.00983 28 4PZ 0.00874 0.01076 -0.00473 0.00566 -0.00058 29 5PX -0.07199 0.15472 0.27766 0.10398 0.12751 30 5PY -0.39702 -0.10499 0.04401 -0.31963 -0.27010 31 5PZ -0.02223 -0.26557 0.07450 -0.03149 0.05369 32 6PX 0.00520 -0.16052 0.01595 0.09321 -0.06607 33 6PY -0.00362 0.00412 0.07366 0.13273 0.04385 34 6PZ 0.07990 -0.02059 0.15914 0.07918 -0.15643 35 7D 0 0.11840 0.05691 -0.07497 -0.03885 -0.02988 36 7D+1 -0.00288 -0.08341 0.05074 0.00163 0.04152 37 7D-1 -0.04607 0.10588 -0.08728 0.12662 0.05806 38 7D+2 -0.17106 -0.02435 0.15768 -0.01484 0.02369 39 7D-2 -0.12233 -0.00253 -0.03581 -0.08538 -0.11548 40 8D 0 -0.24369 -0.12378 0.17064 0.08048 0.06030 41 8D+1 0.00990 0.18872 -0.11371 -0.01120 -0.10459 42 8D-1 0.10366 -0.23454 0.19923 -0.28095 -0.12092 43 8D+2 0.37430 0.06093 -0.35193 0.04099 -0.04996 44 8D-2 0.28434 0.00862 0.08241 0.17523 0.24476 45 3 Cu 1S 0.01576 0.04679 0.03178 0.00802 0.00637 46 2S -0.01922 0.05057 0.03822 -0.05397 -0.05626 47 3S -1.28378 -1.77266 -1.10491 -1.20547 -1.15103 48 4PX -0.01729 -0.00475 -0.00815 -0.02395 -0.00014 49 4PY -0.00342 -0.00737 -0.00807 -0.00268 0.01018 50 4PZ 0.00684 0.01398 0.00002 -0.01054 0.02175 51 5PX 0.72607 0.58575 0.17853 0.76821 0.81029 52 5PY -0.61564 0.01396 -0.05260 -0.42876 -0.38343 53 5PZ -0.69170 -0.26611 -0.36805 -0.44422 -0.32317 54 6PX 0.36620 0.44673 0.23244 0.15434 0.19739 55 6PY -0.32784 -0.23121 -0.17405 -0.15139 -0.06047 56 6PZ -0.25615 -0.19286 -0.18187 -0.17283 -0.04567 57 7D 0 0.07626 0.01327 -0.02339 -0.10730 -0.02058 58 7D+1 -0.04237 -0.20614 -0.01413 -0.19584 -0.13591 59 7D-1 -0.09514 0.06988 -0.15699 0.04518 -0.08244 60 7D+2 0.02160 -0.00377 0.17343 -0.02178 0.03920 61 7D-2 -0.05085 0.04266 -0.06924 -0.00998 -0.11394 62 8D 0 -0.21159 0.00415 0.01732 0.18934 0.07614 63 8D+1 0.12652 0.46148 0.04964 0.47659 0.31680 64 8D-1 0.19155 -0.15757 0.34092 -0.10134 0.19720 65 8D+2 -0.06121 -0.01125 -0.36979 0.04759 -0.12945 66 8D-2 0.10731 -0.09148 0.17688 0.01660 0.22460 67 4 Cu 1S 0.01089 -0.05064 0.02691 0.00162 -0.00849 68 2S -0.01127 -0.05412 0.03252 -0.01986 0.07883 69 3S -0.84399 1.90157 -0.95333 -0.38743 1.60523 70 4PX 0.01301 -0.01252 0.00992 0.01457 -0.01181 71 4PY 0.00217 0.00416 -0.00409 0.00017 -0.01256 72 4PZ -0.00163 -0.01005 -0.00361 -0.02507 -0.00992 73 5PX -0.32446 0.63078 -0.19490 -0.17556 0.88428 74 5PY -0.60991 0.27120 -0.11460 -0.24654 0.96844 75 5PZ -0.45579 0.12096 -0.29744 -0.15368 0.22391 76 6PX -0.15667 0.37800 -0.15511 -0.00601 0.20628 77 6PY -0.32293 0.44029 -0.20792 -0.03206 0.23708 78 6PZ -0.14175 0.08421 -0.10916 -0.10723 0.05496 79 7D 0 0.05892 0.08874 -0.02455 -0.10614 0.16978 80 7D+1 0.09553 -0.13224 0.01316 0.00381 -0.15974 81 7D-1 -0.08393 -0.13437 -0.19552 0.10179 0.01057 82 7D+2 -0.00454 -0.07166 0.08799 0.00926 0.00364 83 7D-2 0.04572 -0.03302 0.12385 -0.02669 -0.10924 84 8D 0 -0.15571 -0.22268 0.03128 0.19926 -0.39082 85 8D+1 -0.24556 0.28155 -0.06546 -0.06027 0.37266 86 8D-1 0.15657 0.29634 0.41977 -0.24898 -0.02148 87 8D+2 0.00510 0.16595 -0.17370 -0.00764 0.04525 88 8D-2 -0.11075 0.09038 -0.28431 0.06008 0.25377 89 5 Cu 1S -0.02469 0.00235 -0.04565 -0.02953 0.01021 90 2S -0.03226 0.00528 -0.08874 -0.08305 0.02632 91 3S 0.66426 -0.09596 1.09289 1.02456 -0.33221 92 4PX -0.00232 0.01162 0.00218 0.00271 -0.00865 93 4PY 0.00052 0.00293 0.00125 -0.01386 0.00197 94 4PZ -0.00090 -0.00293 0.01153 0.01299 -0.00271 95 5PX -0.08420 -0.24935 -0.06154 -0.07548 0.13422 96 5PY 0.55419 -0.06405 -0.01689 0.37093 -0.08019 97 5PZ -0.02510 0.06411 -0.34644 -0.17830 0.04579 98 6PX -0.00442 -0.18480 0.01674 -0.03695 -0.21314 99 6PY 0.04992 -0.03990 -0.02417 -0.15101 -0.01133 100 6PZ 0.06763 0.02341 0.13809 -0.01996 0.03677 101 7D 0 0.12018 0.05365 -0.07846 -0.03160 -0.00462 102 7D+1 0.02336 -0.18095 -0.02731 -0.02785 0.06173 103 7D-1 0.06939 -0.06166 0.00503 0.18839 -0.02627 104 7D+2 0.15488 -0.06685 -0.04221 -0.03808 0.05246 105 7D-2 0.09103 0.09756 -0.01269 -0.01123 -0.07528 106 8D 0 -0.25170 -0.11975 0.17458 0.05064 0.01666 107 8D+1 -0.04014 0.40738 0.06276 0.05172 -0.14011 108 8D-1 -0.17194 0.13777 -0.01427 -0.40361 0.05247 109 8D+2 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7D+1 -0.00302 -0.14114 -0.04542 -0.07634 0.03864 169 7D-1 -0.07192 -0.05728 -0.07641 0.01923 0.02795 170 7D+2 0.06921 -0.10313 0.02943 0.15584 0.03742 171 7D-2 0.03639 0.16967 0.00698 0.02054 -0.17996 172 8D 0 0.16645 -0.10537 0.41144 0.48443 -0.11018 173 8D+1 0.00348 0.25903 0.10632 0.15394 -0.14872 174 8D-1 0.19176 0.11836 0.15626 -0.00955 -0.08322 175 8D+2 -0.12078 0.22795 -0.06897 -0.34373 -0.08889 176 8D-2 -0.06212 -0.39551 -0.02064 -0.04302 0.38450 177 9 C 1S -0.00014 0.00001 0.00001 0.00025 0.00003 178 2S 0.01237 0.00393 -0.01135 -0.02205 0.00728 179 3S -0.03248 -0.01319 0.03509 0.05842 -0.02384 180 4PX 0.00037 0.02446 0.00095 0.02048 0.11922 181 4PY 0.00527 0.00482 -0.00083 -0.02473 0.03196 182 4PZ 0.02552 0.00164 -0.02082 -0.12527 0.01529 183 5PX 0.01186 -0.23972 0.00486 -0.00907 0.00048 184 5PY -0.07918 -0.05716 0.06614 0.02034 -0.00781 185 5PZ -0.29702 0.02127 0.24568 0.02275 -0.00774 186 10 O 1S -0.00022 0.00003 0.00006 0.00003 -0.00002 187 2S 0.00367 0.00023 -0.00211 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0.02148 -0.25824 -0.18764 -0.02608 -0.03681 13 7D 0 0.00335 0.05492 0.19452 -0.05629 0.00048 14 7D+1 0.00596 -0.01333 0.09185 0.15074 -0.00756 15 7D-1 -0.00675 0.05274 -0.03849 0.01187 -0.00925 16 7D+2 -0.01018 0.11441 -0.06953 -0.03246 0.00406 17 7D-2 0.03192 0.05839 -0.02926 0.15411 0.00489 18 8D 0 -0.01030 -0.21169 -0.56537 0.17215 -0.00109 19 8D+1 -0.01367 0.04812 -0.26274 -0.46493 0.02147 20 8D-1 0.01421 -0.19205 0.07104 -0.04219 0.02618 21 8D+2 0.02017 -0.41119 0.21772 0.07455 -0.01200 22 8D-2 -0.07791 -0.21101 0.08753 -0.41703 -0.01423 23 2 Cu 1S -0.00723 -0.10362 0.05766 0.08504 -0.00306 24 2S -0.01316 -0.13034 0.07990 0.11891 -0.00355 25 3S 0.21421 0.28240 -1.51927 -2.16164 -0.02040 26 4PX 0.00987 0.00604 -0.00594 -0.02145 -0.00002 27 4PY 0.00227 -0.01099 -0.00089 -0.00924 -0.00038 28 4PZ 0.00981 -0.00152 0.01874 0.00992 0.00054 29 5PX -0.17287 -0.20134 0.44215 0.63338 0.06162 30 5PY 0.01010 0.65505 0.01485 -0.01940 0.01291 31 5PZ -0.16655 -0.09253 -0.35378 -0.45852 0.09597 32 6PX 0.06613 0.08728 0.04604 -0.12644 -0.10257 33 6PY 0.03052 0.03261 -0.19731 -0.36937 -0.04135 34 6PZ 0.09330 -0.05490 0.26644 0.08651 -0.16488 35 7D 0 0.04294 0.06878 0.05485 -0.00481 -0.02258 36 7D+1 -0.07621 0.10542 -0.14672 -0.13793 0.00910 37 7D-1 0.11735 -0.04782 0.04557 -0.02411 0.00072 38 7D+2 -0.12180 -0.01962 0.03957 0.15491 0.00909 39 7D-2 0.07725 0.14776 0.01980 0.00929 0.00552 40 8D 0 -0.09790 -0.18632 -0.12168 0.00535 0.05377 41 8D+1 0.17687 -0.25313 0.38271 0.37973 -0.02723 42 8D-1 -0.27286 0.13742 -0.10557 0.05568 0.00260 43 8D+2 0.28000 0.04647 -0.12297 -0.39455 -0.02333 44 8D-2 -0.17957 -0.39908 -0.05154 -0.01408 -0.00720 45 3 Cu 1S 0.00369 0.07089 0.00441 0.00229 -0.00046 46 2S 0.01973 0.09831 -0.04517 -0.07190 0.00208 47 3S 0.14546 -1.87927 -0.66046 -0.90188 0.03104 48 4PX -0.00858 -0.01282 -0.00309 -0.00554 0.01683 49 4PY -0.00655 -0.01223 0.00417 0.00804 0.01078 50 4PZ -0.01512 0.01453 -0.00006 0.00086 0.02247 51 5PX 0.03783 -0.07497 0.25147 0.64057 -0.51609 52 5PY 0.16731 -0.35033 -0.11123 -0.09295 -0.33615 53 5PZ 0.34640 0.18223 -0.37133 -0.25702 -0.71212 54 6PX -0.17629 -0.06746 0.69056 0.98012 0.45671 55 6PY 0.01435 0.09908 -0.90530 -1.21071 0.28939 56 6PZ -0.13548 0.02607 -0.20672 -0.23332 0.66810 57 7D 0 -0.03647 -0.02066 0.06991 -0.02234 0.27212 58 7D+1 -0.05540 -0.01940 -0.12038 -0.09177 -0.07350 59 7D-1 0.18413 0.05431 0.11378 0.07023 0.03390 60 7D+2 -0.12674 0.04179 0.05732 0.21856 -0.12114 61 7D-2 0.11936 -0.07481 -0.03632 -0.04408 -0.10356 62 8D 0 0.08100 0.11738 -0.20641 0.05986 -0.76736 63 8D+1 0.12419 0.04824 0.33709 0.25339 0.21140 64 8D-1 -0.42382 -0.17673 -0.29616 -0.16167 -0.10219 65 8D+2 0.29757 -0.07120 -0.14207 -0.59357 0.34738 66 8D-2 -0.26157 0.31132 0.08132 0.08754 0.28651 67 4 Cu 1S 0.00385 0.07151 0.00421 -0.00370 -0.00424 68 2S -0.00452 0.09975 -0.03077 0.07823 -0.00853 69 3S -0.22691 -1.90024 -0.51118 1.01443 0.00595 70 4PX -0.00553 0.02065 0.00105 -0.00222 0.01220 71 4PY 0.00279 -0.00536 0.00440 -0.01024 -0.00316 72 4PZ 0.01864 0.00860 -0.00032 0.00049 -0.02745 73 5PX 0.04000 0.24127 -0.18084 0.64059 -0.37837 74 5PY -0.15395 -0.27279 -0.19183 0.39462 0.09221 75 5PZ -0.32855 0.15745 -0.27440 0.12063 0.85212 76 6PX -0.11262 0.04734 -0.20973 0.50303 0.34055 77 6PY -0.06116 0.15737 -0.74765 1.71738 -0.09678 78 6PZ 0.17973 -0.00614 -0.04893 0.02619 -0.77508 79 7D 0 0.04769 -0.02564 0.02852 0.03986 -0.18998 80 7D+1 0.02874 -0.01361 0.07429 -0.00560 -0.21786 81 7D-1 -0.22814 0.04207 0.12493 -0.07004 -0.07400 82 7D+2 0.01421 -0.03231 0.00483 -0.12005 0.12415 83 7D-2 0.12131 0.08674 0.07721 -0.23175 -0.00795 84 8D 0 -0.10052 0.12239 -0.08519 -0.10971 0.53340 85 8D+1 -0.06001 0.05178 -0.22032 0.02773 0.61479 86 8D-1 0.52211 -0.10869 -0.34263 0.17439 0.21894 87 8D+2 -0.03819 0.20151 -0.01692 0.35539 -0.35107 88 8D-2 -0.28070 -0.28269 -0.19367 0.59933 0.01787 89 5 Cu 1S 0.00036 -0.10360 -0.10536 0.01021 -0.00620 90 2S 0.00352 -0.13186 -0.14571 0.01325 -0.01550 91 3S -0.02252 0.29500 2.63597 -0.28323 -0.04362 92 4PX -0.01219 0.00339 0.00007 -0.01255 -0.00040 93 4PY -0.00268 -0.00975 0.01238 -0.00361 0.00026 94 4PZ 0.00197 0.00770 0.02655 -0.00084 -0.00024 95 5PX 0.20176 -0.16876 -0.10120 0.02881 -0.10508 96 5PY 0.05128 0.64126 -0.17918 0.01274 -0.01287 97 5PZ -0.03468 -0.20393 -0.95569 0.09722 0.04502 98 6PX -0.07353 0.02662 -0.09098 -0.19299 0.18786 99 6PY -0.01577 -0.01112 0.45974 -0.09111 0.02570 100 6PZ 0.01020 0.07922 0.13219 0.02017 -0.02906 101 7D 0 -0.03591 -0.12518 -0.23557 0.00091 0.00895 102 7D+1 0.11853 -0.06972 -0.02939 0.08589 -0.02318 103 7D-1 0.04518 0.12126 -0.09037 0.03064 -0.00179 104 7D+2 0.07341 0.04865 -0.01330 0.02958 -0.00122 105 7D-2 -0.11962 0.04748 -0.02290 -0.03348 -0.00929 106 8D 0 0.08351 0.31114 0.62988 -0.01243 -0.02397 107 8D+1 -0.27225 0.18125 0.08571 -0.19250 0.05685 108 8D-1 -0.10618 -0.34050 0.23563 -0.07167 0.00528 109 8D+2 -0.17010 -0.11961 0.02726 -0.06898 0.00761 110 8D-2 0.27759 -0.12259 0.05589 0.08408 0.01578 111 6 Cu 1S -0.01144 -0.29903 -0.00301 0.00070 -0.00353 112 2S -0.01799 -0.45826 -0.00375 0.00039 -0.00783 113 3S 0.12297 3.25641 0.03631 -0.01611 0.02011 114 4PX -0.00104 -0.00893 -0.00042 0.02361 0.00037 115 4PY 0.00085 0.03657 -0.00463 0.00530 0.00041 116 4PZ 0.00002 -0.00825 -0.02318 -0.00141 -0.00049 117 5PX -0.06189 0.24053 -0.00168 0.01763 0.00162 118 5PY -0.04424 -0.98997 -0.01487 0.00898 -0.00686 119 5PZ 0.02947 0.21132 0.00584 -0.00332 -0.00963 120 6PX -0.01032 0.20571 0.00755 0.56111 -0.00141 121 6PY -0.02909 -0.79990 -0.13384 0.13550 0.00392 122 6PZ 0.01234 0.20786 -0.55285 -0.02577 0.01223 123 7D 0 0.00324 0.09001 -0.04705 0.00503 0.00074 124 7D+1 -0.01076 -0.01598 -0.02612 -0.00575 0.00024 125 7D-1 0.00488 0.06873 0.06724 0.00460 -0.00095 126 7D+2 0.01073 0.14737 -0.00467 0.03271 0.00032 127 7D-2 -0.01304 0.07636 0.00008 -0.07611 -0.00154 128 8D 0 -0.00733 -0.22664 0.08680 -0.00786 -0.00274 129 8D+1 0.02554 0.04003 0.04907 0.00772 -0.00167 130 8D-1 -0.01477 -0.17218 -0.13031 -0.00870 0.00401 131 8D+2 -0.03002 -0.37121 0.00899 -0.06127 0.00011 132 8D-2 0.03890 -0.19224 0.00059 0.14219 0.00353 133 7 Cu 1S 0.00442 -0.10356 0.04066 -0.09638 -0.00689 134 2S 0.01264 -0.12964 0.05794 -0.13598 -0.01544 135 3S -0.15287 0.27774 -1.05784 2.41427 -0.01913 136 4PX 0.00620 -0.00175 0.00607 -0.02665 0.00023 137 4PY -0.00014 -0.01256 0.00180 -0.00104 0.00019 138 4PZ -0.01269 0.00059 0.01562 -0.00582 -0.00015 139 5PX -0.09608 -0.10145 -0.33899 0.75352 0.03663 140 5PY -0.01177 0.67725 -0.12651 0.32265 -0.02175 141 5PZ 0.20517 -0.12312 -0.14990 0.29634 -0.11640 142 6PX 0.04798 -0.11681 0.04575 -0.30602 -0.08167 143 6PY -0.00920 0.00720 -0.11363 0.31809 0.01729 144 6PZ -0.11644 -0.02716 0.23483 -0.07030 0.18498 145 7D 0 -0.00113 0.11062 0.00032 0.06211 0.01522 146 7D+1 -0.05176 -0.04678 0.08970 -0.09303 0.01947 147 7D-1 -0.17848 -0.02511 0.09302 -0.02169 0.00667 148 7D+2 0.02930 0.07785 0.03883 -0.15133 -0.01085 149 7D-2 0.08325 -0.14104 0.02645 -0.12727 -0.00074 150 8D 0 -0.00004 -0.28303 0.01754 -0.16879 -0.03397 151 8D+1 0.11801 0.10256 -0.21987 0.26069 -0.04751 152 8D-1 0.41432 0.06894 -0.22313 0.06697 -0.02327 153 8D+2 -0.06862 -0.22351 -0.11437 0.38825 0.02757 154 8D-2 -0.18970 0.37143 -0.07836 0.33866 0.00483 155 8 Cu 1S 0.00374 0.07010 -0.00787 -0.00173 -0.00585 156 2S 0.00415 0.09989 0.07593 -0.01254 -0.01267 157 3S -0.09576 -1.79978 1.08992 -0.07621 0.00648 158 4PX 0.01278 0.00053 0.00277 0.00066 -0.02874 159 4PY 0.00200 -0.01610 -0.00773 0.00083 -0.00723 160 4PZ -0.00272 -0.01533 0.00537 -0.00070 0.00473 161 5PX -0.33767 0.07308 -0.09595 0.23059 0.90609 162 5PY -0.09271 -0.37087 -0.03041 0.04958 0.21790 163 5PZ 0.07823 -0.14367 -0.75428 0.04480 -0.14349 164 6PX 0.18290 -0.00471 -0.46532 0.09645 -0.82533 165 6PY 0.02263 -0.01446 1.30286 -0.14100 -0.21411 166 6PZ -0.00573 0.01701 -1.37247 0.13616 0.15166 167 7D 0 -0.01421 0.05900 -0.25126 -0.00796 -0.08339 168 7D+1 0.07685 0.02562 -0.04595 0.11831 0.29240 169 7D-1 0.04581 -0.07725 0.03055 0.02853 0.05322 170 7D+2 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-0.00058 190 4PY -0.00412 -0.15534 0.00191 -0.00338 -0.00195 191 4PZ 0.00181 0.03661 0.01280 0.00085 0.00140 192 5PX 0.01050 -0.01647 -0.00274 0.04824 0.00214 193 5PY 0.00302 0.06797 -0.01056 0.01205 0.00409 194 5PZ -0.00396 -0.01978 -0.05106 -0.00360 -0.00403 181 182 183 184 185 V V V V V EIGENVALUES -- 1.30397 1.30564 1.33886 1.33925 1.34902 1 1 Cu 1S 0.01186 0.00263 0.00963 0.00149 0.14669 2 2S 0.03837 0.00901 0.03049 0.00464 0.48496 3 3S 0.20514 0.05853 0.17035 0.03224 2.79553 4 4PX -0.00326 -0.05828 -0.01048 0.03015 0.01911 5 4PY -0.01980 -0.01380 -0.00003 0.00909 -0.06942 6 4PZ -0.05810 0.00836 0.03176 0.01033 0.01830 7 5PX 0.16129 2.20475 0.17306 -0.44437 -0.18547 8 5PY 0.55908 0.48602 -0.04022 -0.14534 0.44740 9 5PZ 2.16499 -0.28913 -0.42929 -0.15731 -0.24427 10 6PX -0.07604 -0.95931 -0.10627 0.31169 0.08057 11 6PY -0.26459 -0.21434 0.01862 0.09575 -0.40970 12 6PZ -0.94219 0.12321 0.31264 0.09583 0.02985 13 7D 0 -0.10529 -0.08429 0.10961 0.08895 0.15624 14 7D+1 -0.00356 0.29565 0.09379 -0.09662 -0.03982 15 7D-1 -0.29554 0.09081 0.00795 -0.01316 0.14273 16 7D+2 0.20568 0.12863 -0.03907 -0.00952 0.25159 17 7D-2 0.04544 -0.15902 0.01845 -0.08239 0.13502 18 8D 0 0.32469 0.24910 -0.31686 -0.25092 -0.47236 19 8D+1 0.01836 -0.87364 -0.26414 0.25853 0.11889 20 8D-1 0.84724 -0.26386 0.00855 0.04396 -0.43077 21 8D+2 -0.60064 -0.36854 0.10169 0.00772 -0.75510 22 8D-2 -0.13533 0.44363 -0.06643 0.25748 -0.40479 23 2 Cu 1S -0.01672 -0.00713 -0.06515 0.03021 -0.25386 24 2S 0.01579 -0.10169 -0.11916 0.05532 -0.49295 25 3S 0.53536 -1.08629 0.18003 -0.12794 -0.53526 26 4PX 0.00238 -0.00538 -0.01140 0.00919 0.00117 27 4PY -0.00665 0.01074 0.01352 -0.00837 0.00038 28 4PZ 0.00074 -0.00074 0.00427 -0.00148 -0.00131 29 5PX -0.39180 0.46520 0.15167 -0.11273 0.27316 30 5PY -0.30372 0.28715 0.33014 -0.23802 -0.30527 31 5PZ 0.14351 -0.62541 -0.26412 0.15652 -0.05497 32 6PX 0.12755 -0.10542 -0.08293 0.10775 0.26208 33 6PY 0.30718 -0.44768 -0.23138 0.19774 0.31685 34 6PZ -0.14265 0.29308 0.19257 -0.09743 -0.30408 35 7D 0 0.00970 0.02761 0.03836 -0.00710 -0.02944 36 7D+1 0.06368 -0.13142 -0.06563 0.04241 0.05081 37 7D-1 0.03500 -0.02617 -0.00738 0.01066 0.01980 38 7D+2 -0.05848 0.05688 0.05522 -0.05173 -0.03857 39 7D-2 -0.03044 0.03472 0.04017 -0.03438 -0.04681 40 8D 0 -0.03528 -0.08906 -0.15490 0.06729 0.11138 41 8D+1 -0.19711 0.40407 0.18166 -0.12118 -0.15073 42 8D-1 -0.10196 0.08440 0.02989 -0.03589 -0.05605 43 8D+2 0.18056 -0.17266 -0.20107 0.17240 0.13970 44 8D-2 0.10211 -0.10160 -0.19928 0.15040 0.17158 45 3 Cu 1S 0.02517 -0.07313 0.13075 -0.09750 -0.17932 46 2S 0.08341 -0.20430 0.30228 -0.22283 -0.37479 47 3S 0.22782 -0.32298 0.38732 -0.25173 0.19392 48 4PX -0.01124 0.01260 0.01211 -0.01091 -0.01191 49 4PY 0.02477 -0.04368 0.02517 -0.01820 0.00140 50 4PZ -0.00678 0.00639 -0.02118 0.01180 0.00823 51 5PX 0.23099 -0.31679 -0.62010 0.79523 0.27656 52 5PY -0.70751 1.17132 -0.23514 0.37656 0.21212 53 5PZ 0.10572 -0.26843 0.95818 -0.14841 -0.30916 54 6PX -0.54779 0.97341 0.07829 -0.33417 -0.57783 55 6PY 0.81784 -1.40074 0.40570 -0.39408 -0.14193 56 6PZ 0.16095 -0.08018 -0.47708 0.03034 0.48699 57 7D 0 0.02636 0.01116 -0.17924 -0.01520 0.04842 58 7D+1 0.00273 -0.04005 0.10253 -0.02595 -0.00574 59 7D-1 0.11191 -0.15880 0.04120 -0.05609 -0.11752 60 7D+2 0.05203 -0.13510 -0.08859 0.12731 -0.04165 61 7D-2 -0.04664 0.10734 -0.17862 0.17566 0.15095 62 8D 0 -0.07788 -0.03361 0.54684 0.04421 -0.14823 63 8D+1 -0.00820 0.10528 -0.29994 0.07321 0.00254 64 8D-1 -0.29932 0.43864 -0.11030 0.15410 0.34623 65 8D+2 -0.14658 0.37017 0.28035 -0.38988 0.12845 66 8D-2 0.12871 -0.29217 0.53240 -0.52779 -0.45231 67 4 Cu 1S 0.02663 0.06784 0.00100 0.16861 -0.17710 68 2S 0.08519 0.19632 0.00581 0.38565 -0.37180 69 3S 0.21262 0.36127 0.05299 0.43924 0.17736 70 4PX -0.00284 -0.00797 -0.00047 -0.03350 0.01116 71 4PY 0.02614 0.04543 0.00168 0.02015 0.00593 72 4PZ -0.00677 -0.00721 -0.00392 -0.01643 0.00526 73 5PX 0.13310 0.25800 -0.14177 1.26600 -0.37675 74 5PY -0.70708 -1.19792 0.05971 0.05885 0.09509 75 5PZ 0.07322 0.28055 0.53112 0.50746 -0.23494 76 6PX 0.16640 0.35585 0.14428 -0.59281 0.66171 77 6PY 0.92739 1.73032 0.03506 0.35674 0.08230 78 6PZ 0.08990 -0.10255 -0.31969 -0.27688 0.31439 79 7D 0 0.04624 0.03299 -0.08341 -0.08172 0.03166 80 7D+1 -0.01986 -0.10661 -0.09882 -0.08599 0.06017 81 7D-1 0.08184 0.07280 -0.04526 -0.02194 -0.05594 82 7D+2 -0.02623 -0.02126 0.03648 -0.31598 0.09308 83 7D-2 0.09120 0.19166 -0.00295 0.05782 -0.15273 84 8D 0 -0.13199 -0.08686 0.25421 0.25918 -0.10388 85 8D+1 0.04914 0.29215 0.29849 0.24412 -0.16864 86 8D-1 -0.21755 -0.20338 0.13216 0.07639 0.16630 87 8D+2 0.06978 0.05554 -0.10928 0.95235 -0.27204 88 8D-2 -0.25093 -0.52416 0.01190 -0.15664 0.46120 89 5 Cu 1S -0.02404 -0.00460 0.03785 0.02174 -0.26137 90 2S -0.14642 -0.01270 0.06470 0.03900 -0.49703 91 3S -1.20729 -0.07394 -0.30852 -0.09561 -0.35085 92 4PX -0.00337 -0.00052 0.00378 0.00406 -0.00017 93 4PY 0.01247 -0.00013 -0.01219 -0.00566 0.00096 94 4PZ -0.00599 -0.00076 0.01452 0.00709 0.00087 95 5PX 0.00754 -0.23024 0.07388 0.00793 0.09963 96 5PY 0.54000 -0.04866 -0.44870 -0.22244 -0.26869 97 5PZ 0.77828 0.07263 -0.18335 -0.10692 0.24073 98 6PX 0.08333 0.06338 -0.06743 0.02569 -0.02353 99 6PY -0.55966 0.00122 0.33333 0.17410 0.37319 100 6PZ -0.18961 -0.00790 0.19445 0.08134 0.32951 101 7D 0 0.13257 0.01445 -0.08101 -0.03569 -0.05010 102 7D+1 0.01600 -0.03244 0.00922 -0.01910 0.00460 103 7D-1 0.10077 -0.00602 -0.08096 -0.04343 -0.07110 104 7D+2 -0.02297 -0.00683 -0.02097 -0.01228 -0.00258 105 7D-2 0.00525 0.00221 -0.01902 -0.01351 -0.01227 106 8D 0 -0.40671 -0.04476 0.23130 0.10573 0.15814 107 8D+1 -0.04985 0.10614 -0.04947 0.02810 -0.02005 108 8D-1 -0.30979 0.01926 0.32604 0.16793 0.23567 109 8D+2 0.07335 0.01791 0.11652 0.06251 0.02922 110 8D-2 -0.01461 0.00443 0.09680 0.05218 0.04939 111 6 Cu 1S -0.01070 -0.00239 -0.01080 -0.00190 -0.16953 112 2S -0.02677 -0.00631 -0.02483 -0.00388 -0.40272 113 3S -0.02981 -0.00640 -0.01893 0.00043 -0.51437 114 4PX -0.00082 -0.00713 -0.00858 0.02277 -0.00214 115 4PY -0.00116 -0.00129 0.00408 0.00747 0.00968 116 4PZ -0.00821 0.00125 0.02342 0.00729 -0.00322 117 5PX -0.04790 -0.48282 0.17535 -0.48230 -0.04389 118 5PY -0.10799 -0.09851 -0.06111 -0.15211 0.21237 119 5PZ -0.48454 0.06855 -0.49511 -0.14938 0.01617 120 6PX 0.05385 0.65117 -0.21484 0.59075 -0.02828 121 6PY 0.16114 0.14311 0.09133 0.18470 0.06297 122 6PZ 0.61075 -0.08390 0.62371 0.18609 -0.09359 123 7D 0 0.05198 0.00354 0.12154 0.06535 -0.03424 124 7D+1 0.02788 -0.01319 0.07827 0.00666 -0.00156 125 7D-1 -0.06737 0.00926 -0.17514 -0.05076 -0.00390 126 7D+2 0.00427 0.03491 -0.02147 0.09194 -0.03912 127 7D-2 -0.00974 -0.08596 0.07485 -0.20401 -0.02033 128 8D 0 -0.18073 -0.01333 -0.35212 -0.19038 0.11560 129 8D+1 -0.09577 0.05244 -0.22825 -0.01686 0.00283 130 8D-1 0.22204 -0.03005 0.50560 0.14678 0.02070 131 8D+2 -0.00885 -0.11424 0.06504 -0.26473 0.13721 132 8D-2 0.03426 0.28568 -0.21554 0.59101 0.07075 133 7 Cu 1S -0.01767 -0.00266 -0.02198 -0.06136 -0.25315 134 2S 0.01069 0.08339 -0.04098 -0.11160 -0.49445 135 3S 0.48446 1.09614 0.02656 0.21564 -0.61365 136 4PX 0.00123 -0.00013 -0.00046 0.00784 -0.00083 137 4PY -0.00629 -0.01207 0.00141 0.02045 0.00090 138 4PZ 0.00100 0.00126 0.00152 0.00102 -0.00090 139 5PX 0.46745 0.71084 -0.01684 -0.41955 -0.17957 140 5PY -0.11367 -0.06132 0.00229 0.29370 -0.38475 141 5PZ -0.00479 0.45373 -0.03297 -0.21071 -0.01535 142 6PX -0.25420 -0.38021 -0.02999 0.31105 -0.41874 143 6PY 0.21052 0.36881 0.00445 -0.22366 0.15550 144 6PZ -0.08388 -0.23466 0.04660 0.16048 -0.19652 145 7D 0 0.03438 0.03490 0.01199 -0.00127 -0.00578 146 7D+1 -0.03464 -0.10815 0.01312 0.05568 -0.03812 147 7D-1 0.01185 -0.02779 0.00767 0.01946 -0.00808 148 7D+2 -0.07261 -0.10239 -0.00586 0.11235 -0.06621 149 7D-2 -0.02127 -0.03374 -0.00100 0.03120 0.00213 150 8D 0 -0.11226 -0.10442 -0.02833 -0.06052 0.03879 151 8D+1 0.10117 0.33580 -0.02754 -0.16257 0.11168 152 8D-1 -0.02958 0.08084 -0.02013 -0.06598 0.03117 153 8D+2 0.22892 0.31241 0.00673 -0.42932 0.23456 154 8D-2 0.06257 0.10527 0.00556 -0.05952 -0.00677 155 8 Cu 1S -0.09121 -0.00379 -0.16513 -0.07689 -0.15665 156 2S -0.24635 -0.00919 -0.37643 -0.17549 -0.31764 157 3S -0.31698 0.00009 -0.39020 -0.19341 0.34296 158 4PX 0.01333 -0.00408 0.00480 -0.00082 -0.00294 159 4PY -0.04902 -0.00104 -0.03226 -0.01611 0.00730 160 4PZ 0.01529 0.00060 -0.02084 -0.00966 -0.01340 161 5PX -0.36209 -0.00193 -0.18464 0.49216 0.00784 162 5PY 1.36691 0.01315 0.54721 0.37418 0.09451 163 5PZ -0.36666 0.01532 1.15465 0.46823 0.25385 164 6PX 0.48794 0.09201 0.22714 -0.26628 -0.08428 165 6PY -1.44496 -0.03095 -0.60854 -0.33834 -0.10826 166 6PZ 1.12356 0.01857 -0.37610 -0.13561 -0.75026 167 7D 0 -0.11418 0.00919 0.09161 0.00816 -0.06746 168 7D+1 -0.04838 -0.03268 -0.10926 0.08679 -0.04073 169 7D-1 0.18145 -0.00463 0.27442 0.15315 0.13140 170 7D+2 -0.17846 -0.01172 0.07388 0.04297 -0.03734 171 7D-2 -0.04934 0.01369 0.06393 0.07278 0.00308 172 8D 0 0.31834 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5PX -0.00949 -0.07245 0.00866 -0.03168 -0.03859 193 5PY -0.00474 -0.01264 0.00780 -0.00813 0.15888 194 5PZ -0.07934 0.01034 -0.03472 -0.01107 -0.03340 186 187 188 189 190 V V V V V EIGENVALUES -- 1.50905 1.66033 2.03182 2.21981 2.22373 1 1 Cu 1S 0.14530 -0.29519 -0.35919 -0.00464 0.00138 2 2S 0.44219 -0.63003 -0.69759 -0.00986 0.00266 3 3S 5.54382 3.68901 -0.20636 -0.01020 -0.00446 4 4PX 0.00204 0.01026 -0.01120 0.00034 0.00215 5 4PY -0.00377 -0.04199 0.04442 0.00125 0.00030 6 4PZ 0.00313 0.00937 -0.01063 0.00203 -0.00052 7 5PX 0.42639 -0.31756 -0.22673 -0.12383 -0.74037 8 5PY -1.92259 1.30546 0.98656 -0.20898 -0.14759 9 5PZ 0.35458 -0.29264 -0.19468 -0.72899 0.16171 10 6PX -0.26495 -0.40827 0.07954 -0.30487 -1.65807 11 6PY 0.79633 1.69146 -0.26705 -0.41685 -0.31853 12 6PZ -0.33724 -0.37404 0.11265 -1.63104 0.38143 13 7D 0 -0.09824 -0.02351 0.02382 0.02391 0.00305 14 7D+1 0.01785 0.00479 -0.00416 0.00704 -0.02032 15 7D-1 -0.07590 -0.02029 0.01778 -0.00718 -0.00001 16 7D+2 -0.16519 -0.04058 0.03849 -0.00647 0.00596 17 7D-2 -0.08405 -0.02089 0.01953 -0.00652 -0.01939 18 8D 0 0.27515 0.09030 -0.06839 -0.11597 -0.01466 19 8D+1 -0.04917 -0.01854 0.01146 -0.03532 0.09606 20 8D-1 0.21108 0.07765 -0.04989 0.03807 -0.00051 21 8D+2 0.46489 0.15569 -0.11040 0.02981 -0.03001 22 8D-2 0.23596 0.08025 -0.05556 0.03080 0.09556 23 2 Cu 1S -0.41178 0.00201 0.34878 -0.10272 0.22779 24 2S -0.87557 -0.02595 0.63655 -0.25361 0.55670 25 3S -2.11725 -0.44860 0.82049 -1.17097 2.38084 26 4PX -0.02230 -0.00110 0.00913 -0.01087 0.02928 27 4PY -0.00759 -0.00778 -0.00069 0.01098 -0.01925 28 4PZ 0.01949 0.00417 -0.00659 0.00913 -0.01132 29 5PX 1.01387 0.11556 -0.47200 0.56035 -1.15666 30 5PY -0.00070 -0.05855 0.36631 -0.46423 1.00279 31 5PZ -0.74643 -0.06452 0.20389 -0.20750 0.47789 32 6PX 0.17490 0.05828 -0.21035 0.11570 0.48078 33 6PY -0.13513 -0.35990 0.05923 0.27775 -0.21681 34 6PZ -0.03630 0.10330 0.11345 0.46416 0.05595 35 7D 0 0.01163 -0.02249 -0.01051 -0.03531 0.07548 36 7D+1 -0.09238 0.01159 0.02281 -0.02703 0.04904 37 7D-1 0.01653 0.00463 -0.00696 0.01774 -0.02208 38 7D+2 0.08447 -0.02556 -0.03113 -0.01590 0.01911 39 7D-2 0.00398 -0.03522 -0.00997 -0.05872 0.13031 40 8D 0 -0.00830 0.07653 0.04075 0.13950 -0.27710 41 8D+1 0.29400 -0.02815 -0.07726 0.09485 -0.17914 42 8D-1 -0.02982 -0.03255 0.01704 -0.06257 0.08268 43 8D+2 -0.22266 0.06667 0.10514 0.05519 -0.07827 44 8D-2 0.01465 0.13179 0.04573 0.21568 -0.48565 45 3 Cu 1S -0.07254 0.16871 0.50015 0.56074 -1.16332 46 2S -0.04105 0.35201 0.97704 1.12218 -2.32426 47 3S 0.06340 -0.82912 -1.09821 -1.12338 2.36936 48 4PX 0.02098 0.00192 0.01796 0.00155 -0.01342 49 4PY -0.00299 0.00166 -0.02502 -0.00357 0.00042 50 4PZ -0.01448 -0.00207 -0.00346 -0.01013 0.00491 51 5PX 0.02038 -0.07225 -0.79374 0.26198 -0.27531 52 5PY -0.54184 0.51066 1.31489 -0.39916 1.02508 53 5PZ 0.20981 -0.15127 0.05781 0.25604 -0.06499 54 6PX 0.21968 0.35212 0.33081 0.31062 -0.95758 55 6PY -0.48374 0.11860 0.21214 -0.37773 0.43871 56 6PZ 0.03090 -0.31196 -0.32675 -0.44825 0.37778 57 7D 0 0.05771 0.02196 0.02969 -0.03744 -0.06873 58 7D+1 0.03848 0.00880 -0.00272 0.02828 -0.03436 59 7D-1 0.03476 -0.01738 -0.02317 0.00276 0.01287 60 7D+2 0.06091 0.00157 0.00931 0.01983 -0.00203 61 7D-2 0.06422 0.04463 0.05859 0.06151 -0.05534 62 8D 0 -0.17771 -0.08836 -0.11933 0.10223 0.28386 63 8D+1 -0.10765 -0.02916 0.00261 -0.10199 0.13756 64 8D-1 -0.11597 0.07550 0.09025 -0.00707 -0.06561 65 8D+2 -0.20187 -0.00643 -0.03562 -0.07240 0.03273 66 8D-2 -0.19141 -0.18328 -0.23423 -0.25371 0.27451 67 4 Cu 1S -0.07187 0.17027 0.50667 0.72891 1.06410 68 2S -0.04070 0.35520 0.99045 1.45688 2.12550 69 3S 0.03037 -0.83406 -1.10425 -1.50135 -2.17210 70 4PX -0.02151 -0.00288 -0.00671 -0.00439 -0.01227 71 4PY -0.01241 0.00055 -0.02993 -0.00465 -0.00497 72 4PZ -0.00751 -0.00139 -0.00014 -0.00908 0.00073 73 5PX 0.25925 -0.17979 0.18882 0.01678 0.18006 74 5PY -0.47517 0.48825 1.50483 -0.62195 -0.97868 75 5PZ 0.15065 -0.13474 -0.07589 0.29680 0.02733 76 6PX 0.01085 -0.44185 -0.46831 -0.35817 -0.73239 77 6PY -0.54805 -0.04956 0.06093 -0.50699 -0.77486 78 6PZ 0.06179 -0.19462 -0.21082 -0.37169 -0.05071 79 7D 0 0.08018 0.02302 0.02403 -0.00390 0.07815 80 7D+1 -0.03487 0.00220 0.01156 -0.05330 0.00995 81 7D-1 0.02657 -0.00629 -0.00320 -0.00083 -0.00486 82 7D+2 0.07164 0.03506 0.05437 0.05290 0.03160 83 7D-2 0.00442 -0.03324 -0.03617 -0.03571 -0.03531 84 8D 0 -0.24326 -0.08926 -0.10126 -0.02048 -0.31664 85 8D+1 0.10453 -0.01492 -0.04027 0.18209 -0.02955 86 8D-1 -0.09003 0.02697 0.01423 -0.00392 0.02382 87 8D+2 -0.22609 -0.14599 -0.21430 -0.22720 -0.18076 88 8D-2 -0.03135 0.13579 0.14603 0.15324 0.15978 89 5 Cu 1S -0.41905 -0.00037 0.36215 0.24645 -0.02829 90 2S -0.88765 -0.03166 0.66045 0.60451 -0.06293 91 3S -2.00270 -0.43364 0.72072 2.63798 -0.14365 92 4PX -0.00138 0.00161 0.00131 0.00900 0.00385 93 4PY -0.01311 -0.00879 0.00190 -0.01654 0.00208 94 4PZ -0.02719 -0.00207 0.01057 0.03612 -0.00294 95 5PX 0.13815 0.02677 -0.14007 -0.39213 0.05233 96 5PY 0.20259 -0.03379 0.28526 0.86926 -0.06066 97 5PZ 1.20381 0.13772 -0.53645 -1.48265 0.10264 98 6PX 0.07130 0.08226 -0.04471 0.16172 0.54037 99 6PY -0.15176 -0.36262 0.02019 -0.24396 0.14426 100 6PZ 0.17844 0.04437 -0.25324 0.43088 -0.11644 101 7D 0 0.11530 -0.01497 -0.03235 -0.06461 0.00587 102 7D+1 0.02063 0.00812 -0.00295 -0.05622 -0.00101 103 7D-1 0.03078 -0.04052 -0.01731 0.12928 -0.01207 104 7D+2 0.02211 -0.02088 -0.01672 0.07017 -0.00924 105 7D-2 0.01389 -0.01530 -0.00928 0.05207 0.00296 106 8D 0 -0.34453 0.02595 0.10598 0.23319 -0.01839 107 8D+1 -0.07238 -0.03458 0.00598 0.20656 -0.00784 108 8D-1 -0.07536 0.14965 0.07146 -0.48176 0.04262 109 8D+2 -0.02035 0.05751 0.05682 -0.26161 0.03299 110 8D-2 -0.01875 0.04818 0.03370 -0.19412 -0.01212 111 6 Cu 1S -0.68489 -0.20645 -0.98275 -0.00160 0.00470 112 2S -1.36985 -0.50833 -2.06487 -0.00278 0.00968 113 3S 3.00195 -0.12979 -0.20616 0.02293 0.00704 114 4PX -0.00525 0.00600 0.01117 -0.00114 -0.00641 115 4PY 0.02158 -0.02467 -0.04590 -0.00159 -0.00106 116 4PZ -0.00490 0.00554 0.01036 -0.00613 0.00136 117 5PX 0.01859 -0.18981 -0.53453 -0.02096 -0.09645 118 5PY -0.05515 0.78093 2.17472 -0.02643 -0.03010 119 5PZ 0.02461 -0.17454 -0.49622 -0.08326 0.02602 120 6PX 0.09993 0.04861 0.14897 0.00377 -0.09404 121 6PY -0.42509 -0.19962 -0.58301 -0.02641 -0.02188 122 6PZ 0.09448 0.04448 0.14950 -0.09604 0.00490 123 7D 0 -0.01367 -0.03664 -0.06474 -0.06704 0.00170 124 7D+1 0.00185 0.00724 0.01338 -0.03310 0.01904 125 7D-1 -0.00855 -0.02985 -0.05422 0.07953 -0.01881 126 7D+2 -0.02129 -0.06218 -0.11114 -0.01146 -0.04032 127 7D-2 -0.01039 -0.03203 -0.05773 0.01759 0.09920 128 8D 0 0.05676 0.11657 0.22948 0.23198 -0.00599 129 8D+1 -0.00842 -0.02311 -0.04747 0.11451 -0.06599 130 8D-1 0.03769 0.09504 0.19239 -0.27537 0.06488 131 8D+2 0.08991 0.19798 0.39408 0.03940 0.13909 132 8D-2 0.04452 0.10198 0.20495 -0.06051 -0.34268 133 7 Cu 1S -0.40711 0.00101 0.34375 -0.14840 -0.20794 134 2S -0.86744 -0.02822 0.62689 -0.35794 -0.50902 135 3S -2.19705 -0.44123 0.84131 -1.44037 -2.22342 136 4PX 0.02819 0.00521 -0.00961 0.01060 0.01984 137 4PY 0.00346 -0.00646 -0.00458 0.01894 0.02767 138 4PZ 0.01189 0.00324 -0.00364 0.00699 0.00294 139 5PX -1.11529 -0.09598 0.32843 -0.47060 -0.68931 140 5PY -0.44508 -0.10302 0.52542 -0.86389 -1.29736 141 5PZ -0.44098 -0.03231 0.08646 -0.09985 -0.18411 142 6PX -0.10818 0.12099 0.19192 -0.04243 0.33313 143 6PY -0.18860 -0.34601 0.14653 0.30586 0.33742 144 6PZ -0.00086 0.09368 0.05290 0.45301 -0.24226 145 7D 0 -0.02532 -0.01682 -0.00220 -0.05779 -0.08435 146 7D+1 0.05181 -0.00946 -0.01135 0.01381 0.01793 147 7D-1 0.03593 -0.00630 -0.01179 0.01172 0.00162 148 7D+2 0.07743 -0.04665 -0.03315 -0.06607 -0.09356 149 7D-2 0.07736 0.00288 -0.02137 0.04581 0.07528 150 8D 0 0.11163 0.05978 0.01173 0.21898 0.30862 151 8D+1 -0.17471 0.03230 0.04149 -0.04334 -0.06868 152 8D-1 -0.09316 0.00857 0.03771 -0.03774 -0.00739 153 8D+2 -0.19975 0.15407 0.12213 0.24345 0.35390 154 8D-2 -0.22441 -0.03783 0.06294 -0.16886 -0.27520 155 8 Cu 1S -0.07341 0.16896 0.51073 -1.28340 0.09671 156 2S -0.04001 0.35156 0.99627 -2.56691 0.19344 157 3S 0.16203 -0.84264 -1.18658 2.58663 -0.20980 158 4PX 0.00349 -0.00015 0.00757 -0.00306 -0.00876 159 4PY 0.00334 0.00199 -0.02357 -0.00100 -0.00154 160 4PZ 0.02512 0.00217 0.02051 -0.01570 0.00221 161 5PX 0.11520 -0.11693 -0.38004 -0.24953 0.25504 162 5PY -0.61847 0.52444 1.23461 1.06727 -0.03949 163 5PZ -0.01908 -0.04228 -0.87178 -0.34371 -0.00586 164 6PX 0.13269 0.01584 0.01854 -0.27723 -0.30063 165 6PY -0.46936 0.21346 0.24095 0.36027 -0.04966 166 6PZ 0.26798 0.43090 0.46382 -1.16718 0.10402 167 7D 0 -0.00301 -0.01812 -0.01022 0.04538 -0.01899 168 7D+1 -0.02737 -0.01637 -0.01859 0.03718 0.05600 169 7D-1 0.04028 0.04643 0.06553 -0.06279 0.01050 170 7D+2 0.09704 0.00923 0.00957 -0.04425 -0.00490 171 7D-2 0.04793 0.01190 0.01677 -0.02580 0.04342 172 8D 0 -0.00906 0.06942 0.04707 -0.18140 0.06467 173 8D+1 0.07970 0.06560 0.07599 -0.16001 -0.18126 174 8D-1 -0.12053 -0.19291 -0.25829 0.30760 -0.03980 175 8D+2 -0.30523 -0.03295 -0.04325 0.19537 0.01776 176 8D-2 -0.15016 -0.04685 -0.06748 0.12181 -0.15753 177 9 C 1S -0.00754 0.02185 -0.00750 0.00005 0.00003 178 2S 0.87609 0.10723 -0.32767 0.00055 0.00152 179 3S -2.86989 2.62800 0.13470 -0.00713 -0.00480 180 4PX -0.06427 0.06697 -0.00693 -0.00489 -0.02779 181 4PY 0.26201 -0.27536 0.02959 -0.00740 -0.00526 182 4PZ -0.06223 0.06337 -0.00569 -0.02862 0.00638 183 5PX 0.14219 0.18220 -0.28135 0.04158 0.23076 184 5PY -0.56350 -0.75386 1.14487 0.06432 0.04212 185 5PZ 0.14447 0.17357 -0.26868 0.23110 -0.05342 186 10 O 1S 0.00415 -0.07946 0.02256 0.00008 0.00001 187 2S -0.12016 1.86991 -0.72699 -0.00261 -0.00021 188 3S 0.46038 -3.56070 1.55016 0.00577 0.00059 189 4PX 0.00245 -0.01612 -0.00794 0.00297 0.01726 190 4PY -0.01132 0.06533 0.03214 0.00518 0.00325 191 4PZ 0.00234 -0.01452 -0.00739 0.01724 -0.00389 192 5PX -0.07397 0.28011 -0.05155 -0.01583 -0.08748 193 5PY 0.30449 -1.14747 0.21445 -0.02383 -0.01631 194 5PZ -0.07131 0.26243 -0.04864 -0.08778 0.02001 191 192 193 194 V V V V EIGENVALUES -- 2.75159 2.76346 3.56793 10.43626 1 1 Cu 1S 0.00499 -0.01110 -0.72105 -3.43477 2 2S 0.01102 -0.02254 -1.26157 -5.54030 3 3S 0.07830 -0.10049 3.81107 13.85637 4 4PX 0.06259 0.00809 -0.00973 0.01066 5 4PY 0.01617 -0.01173 0.04150 -0.04075 6 4PZ 0.00522 -0.06566 -0.00850 0.01045 7 5PX -1.01015 -0.14343 0.21143 -1.56883 8 5PY -0.28879 0.23980 -0.90291 6.34112 9 5PZ -0.08318 1.09734 0.18356 -1.48507 10 6PX -0.80981 -0.08918 0.05247 0.46975 11 6PY -0.17629 0.09299 -0.09431 -2.29448 12 6PZ -0.05185 0.76196 0.08591 0.35865 13 7D 0 0.02604 -0.05606 -0.00764 -0.02648 14 7D+1 -0.04576 -0.03323 0.00148 0.00548 15 7D-1 -0.00657 0.00977 -0.00624 -0.02221 16 7D+2 0.00502 0.02455 -0.01350 -0.04561 17 7D-2 -0.04543 0.00310 -0.00677 -0.02366 18 8D 0 -0.10013 0.22089 0.03153 0.21719 19 8D+1 0.17215 0.13013 -0.00613 -0.04463 20 8D-1 0.02480 -0.04824 0.02581 0.18160 21 8D+2 -0.02568 -0.09175 0.05574 0.37365 22 8D-2 0.18440 -0.00988 0.02783 0.19400 23 2 Cu 1S 1.12464 1.05275 -0.69383 -0.00821 24 2S 2.05990 1.92982 -1.30976 -0.03946 25 3S -3.62209 -3.18571 -0.14311 -3.14945 26 4PX -0.02913 -0.01568 0.00171 -0.02365 27 4PY 0.00633 0.01118 -0.00090 -0.01618 28 4PZ 0.00719 0.02005 -0.00071 0.02421 29 5PX -0.29755 -0.54119 0.67891 0.56769 30 5PY 0.56628 0.41471 -0.70844 0.23918 31 5PZ 0.24347 -0.02687 -0.23014 -0.50925 32 6PX -0.30508 0.06539 -0.05164 0.65494 33 6PY -0.95020 -0.63451 0.26836 0.59365 34 6PZ 0.19869 0.61430 -0.08260 -0.70343 35 7D 0 -0.00676 0.03026 -0.03975 0.00721 36 7D+1 0.02492 0.01444 0.00431 0.01152 37 7D-1 -0.01076 -0.00396 -0.00335 0.00871 38 7D+2 0.00306 -0.01853 -0.04365 0.00795 39 7D-2 0.03008 0.01397 -0.05413 0.00622 40 8D 0 0.00354 -0.12896 0.17478 -0.02854 41 8D+1 -0.10828 -0.07037 -0.00539 -0.05152 42 8D-1 0.04024 0.01561 0.01419 -0.05432 43 8D+2 -0.01807 0.06016 0.18309 -0.04450 44 8D-2 -0.14119 -0.08019 0.23966 -0.01223 45 3 Cu 1S 0.24194 0.24194 0.78922 -1.05898 46 2S 0.44213 0.44399 1.41953 -1.73288 47 3S -0.20990 -0.18887 -1.64555 0.28070 48 4PX 0.02162 0.03077 -0.05595 0.02691 49 4PY -0.04828 -0.03875 0.03694 0.02844 50 4PZ -0.00913 0.00570 0.02692 -0.03160 51 5PX -1.17726 -1.02296 1.03886 0.10727 52 5PY 1.05394 1.04316 -1.51723 1.15889 53 5PZ 0.34166 0.47571 -0.16042 -0.54149 54 6PX 2.60603 2.34170 -0.07854 -0.36722 55 6PY -4.07737 -3.62563 0.42040 -0.00649 56 6PZ -0.36983 -0.26024 -0.12388 0.27028 57 7D 0 -0.01833 -0.03052 0.02072 0.00249 58 7D+1 0.01060 0.02592 -0.00272 0.01075 59 7D-1 0.00693 -0.01655 0.01206 -0.00311 60 7D+2 -0.05158 -0.02378 0.03168 -0.00661 61 7D-2 -0.02802 -0.03315 0.02131 0.00725 62 8D 0 0.06059 0.13522 -0.10405 -0.00798 63 8D+1 -0.04461 -0.11460 -0.00869 -0.02837 64 8D-1 -0.03397 0.06640 -0.04216 0.06329 65 8D+2 0.21382 0.08830 -0.13047 0.05879 66 8D-2 0.11781 0.12936 -0.12148 -0.06173 67 4 Cu 1S -0.32932 0.09856 0.78282 -1.05796 68 2S -0.60307 0.17862 1.40759 -1.73204 69 3S 0.26899 -0.13843 -1.63490 0.25921 70 4PX 0.00665 -0.00728 0.04190 -0.04370 71 4PY 0.06850 -0.01979 0.05715 0.01370 72 4PZ 0.00017 0.01344 0.01215 -0.02042 73 5PX -0.90548 0.21733 -0.34586 -0.70934 74 5PY -1.90410 0.63291 -1.78946 0.98357 75 5PZ -0.15892 0.16551 0.03755 -0.42907 76 6PX 1.00453 -0.30332 -0.14897 0.41046 77 6PY 6.20722 -1.76962 0.38949 0.21046 78 6PZ -0.22181 0.12456 -0.08487 0.19118 79 7D 0 0.02198 -0.01048 0.02091 0.00703 80 7D+1 0.01043 -0.01361 -0.00288 -0.00499 81 7D-1 0.01017 -0.02879 0.01254 -0.00377 82 7D+2 0.07128 -0.01409 0.03525 -0.00084 83 7D-2 0.01967 0.00351 0.01267 -0.01187 84 8D 0 -0.07911 0.05276 -0.11191 -0.01338 85 8D+1 -0.04426 0.07137 0.02084 -0.01066 86 8D-1 -0.03782 0.12269 -0.04768 0.04169 87 8D+2 -0.29191 0.04952 -0.16632 -0.01059 88 8D-2 -0.07890 -0.01515 -0.02613 0.10142 89 5 Cu 1S 0.33843 -1.49923 -0.68149 -0.00054 90 2S 0.61886 -2.74798 -1.28726 -0.02668 91 3S -1.14735 4.64489 -0.15398 -3.08883 92 4PX -0.01414 0.00353 0.00039 0.00018 93 4PY -0.00131 -0.00553 -0.00045 -0.02244 94 4PZ -0.00736 0.03753 0.00162 -0.03025 95 5PX 0.21203 0.27845 0.23063 0.02794 96 5PY 0.18185 -0.58810 -0.58610 0.37337 97 5PZ -0.15907 0.65379 0.77055 0.67908 98 6PX -0.37337 -0.28901 -0.07379 -0.02940 99 6PY -0.37093 1.15716 0.29533 0.70686 100 6PZ 0.00046 0.27215 -0.02719 0.81433 101 7D 0 -0.01436 0.03335 -0.01624 -0.00544 102 7D+1 0.02601 0.02266 0.01515 -0.00347 103 7D-1 0.01012 -0.02294 -0.05631 0.00005 104 7D+2 0.00339 -0.01031 -0.04459 0.01638 105 7D-2 0.00975 -0.00673 -0.02810 0.00708 106 8D 0 0.05703 -0.14441 0.05600 0.01477 107 8D+1 -0.08942 -0.10039 -0.06976 0.01015 108 8D-1 -0.04428 0.11802 0.24357 0.01873 109 8D+2 -0.01865 0.06764 0.19691 -0.08189 110 8D-2 -0.03985 0.04315 0.12355 -0.03238 111 6 Cu 1S -0.00046 0.00057 1.00076 -0.14969 112 2S -0.00018 -0.00072 1.73842 -0.23773 113 3S 0.02464 -0.04327 1.29778 -0.99105 114 4PX 0.00005 0.00017 0.00656 -0.00098 115 4PY 0.00025 -0.00056 -0.02679 0.00365 116 4PZ 0.00002 0.00000 0.00602 -0.00095 117 5PX -0.70979 -0.09197 0.28208 -0.04412 118 5PY -0.19096 0.15639 -1.14211 0.18210 119 5PZ -0.04902 0.72282 0.25538 -0.03795 120 6PX 2.19468 0.27495 0.12767 -0.05595 121 6PY 0.57152 -0.41805 -0.56066 0.25644 122 6PZ 0.15358 -2.12882 0.10937 -0.05142 123 7D 0 0.01298 -0.04294 -0.00489 0.00831 124 7D+1 -0.00775 -0.02461 0.00118 -0.00167 125 7D-1 -0.00365 0.05050 -0.00449 0.00669 126 7D+2 0.02679 0.00144 -0.00886 0.01425 127 7D-2 -0.06414 -0.00805 -0.00460 0.00737 128 8D 0 -0.04992 0.16756 0.00992 -0.04096 129 8D+1 0.02835 0.09609 -0.00276 0.00822 130 8D-1 0.01389 -0.20003 0.00990 -0.03307 131 8D+2 -0.10579 -0.00455 0.01914 -0.07033 132 8D-2 0.25210 0.03175 0.00973 -0.03637 133 7 Cu 1S -1.47344 0.45918 -0.69168 -0.01254 134 2S -2.69962 0.84343 -1.30540 -0.04760 135 3S 4.65825 -1.28432 -0.12669 -3.17887 136 4PX -0.02882 0.00233 -0.00155 0.03391 137 4PY -0.02376 0.00785 -0.00150 -0.00406 138 4PZ -0.00602 0.01435 -0.00036 0.01553 139 5PX -0.22870 0.22522 -0.37472 -0.74397 140 5PY -0.83589 0.26307 -0.91882 -0.03960 141 5PZ -0.10400 -0.22156 -0.07552 -0.31539 142 6PX -0.79894 0.03508 -0.07514 -1.01272 143 6PY 0.91122 -0.20321 0.25287 0.26630 144 6PZ -0.28778 0.49297 -0.07727 -0.48342 145 7D 0 -0.01877 0.02724 -0.03713 0.01318 146 7D+1 0.01864 0.01662 -0.00192 -0.01113 147 7D-1 0.01128 0.00592 -0.01337 0.00396 148 7D+2 -0.01539 -0.00974 -0.06891 0.00615 149 7D-2 0.03193 -0.01237 0.00095 0.00229 150 8D 0 0.10463 -0.11036 0.16894 -0.05716 151 8D+1 -0.08176 -0.05534 -0.00012 0.05637 152 8D-1 -0.04039 -0.02095 0.05537 -0.02573 153 8D+2 0.08796 0.02536 0.29537 -0.01952 154 8D-2 -0.13914 0.05201 -0.01373 -0.03029 155 8 Cu 1S 0.08029 -0.31893 0.79629 -1.04847 156 2S 0.14877 -0.58377 1.43165 -1.71526 157 3S -0.02777 0.26102 -1.68306 0.27859 158 4PX -0.00877 -0.02013 -0.01502 -0.00204 159 4PY -0.01489 0.05477 0.02560 0.03596 160 4PZ 0.01114 -0.03911 -0.06557 0.03460 161 5PX -0.24834 0.46689 0.44558 -0.23281 162 5PY 0.21495 -1.18287 -1.35430 1.23012 163 5PZ -0.37722 1.76586 1.14378 0.20835 164 6PX 0.35037 -1.53735 -0.09374 -0.00330 165 6PY -1.12309 4.70730 0.47520 -0.11881 166 6PZ 0.88936 -3.71140 -0.09629 -0.35870 167 7D 0 -0.00262 0.04080 0.01661 -0.01353 168 7D+1 -0.02092 -0.01238 -0.00497 -0.00482 169 7D-1 -0.01885 0.05031 0.02017 0.00362 170 7D+2 -0.01801 0.03720 0.03198 0.00112 171 7D-2 0.00721 0.02710 0.01636 0.00094 172 8D 0 0.00630 -0.17024 -0.04489 0.07476 173 8D+1 0.10477 0.05347 0.03531 0.02804 174 8D-1 0.08025 -0.20726 -0.11118 -0.06211 175 8D+2 0.07217 -0.14357 -0.14720 0.03958 176 8D-2 -0.02463 -0.10645 -0.07885 0.00769 177 9 C 1S 0.00019 -0.00014 0.00777 -0.04090 178 2S 0.00785 -0.00905 0.27994 -0.84920 179 3S -0.02539 0.01774 -1.76741 3.13160 180 4PX -0.02856 -0.00371 -0.01869 -0.02720 181 4PY -0.00683 0.00424 0.07717 0.11070 182 4PZ -0.00243 0.02881 -0.01858 -0.02622 183 5PX 0.64247 0.07822 -0.18666 -1.06991 184 5PY 0.15308 -0.09842 0.77358 4.39605 185 5PZ 0.05548 -0.66432 -0.16661 -0.99519 186 10 O 1S -0.00004 0.00020 0.00490 -0.01218 187 2S 0.00318 -0.01154 -0.50169 -0.60865 188 3S -0.00696 0.02833 1.44557 2.18906 189 4PX 0.06655 0.00877 -0.01286 -0.03687 190 4PY 0.01707 -0.01233 0.05333 0.15016 191 4PZ 0.00532 -0.06785 -0.01037 -0.03445 192 5PX -0.29879 -0.04031 -0.04568 0.06105 193 5PY -0.07737 0.06073 0.18502 -0.24630 194 5PZ -0.02396 0.30528 -0.04978 0.05406 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.99541 2 2S -0.00036 0.25534 3 3S 0.04491 -0.15626 0.68149 4 4PX 0.00045 0.00065 -0.00396 2.00067 5 4PY -0.00173 -0.00231 0.01424 -0.00229 2.00947 6 4PZ 0.00043 0.00064 -0.00386 0.00053 -0.00215 7 5PX -0.00524 -0.01326 -0.04887 0.01554 0.00274 8 5PY 0.02127 0.05381 0.19428 0.00283 0.00488 9 5PZ -0.00493 -0.01240 -0.04723 -0.00069 0.00266 10 6PX 0.00061 0.02199 -0.00765 -0.01813 -0.00158 11 6PY -0.00321 -0.08344 0.02904 -0.00154 -0.01311 12 6PZ 0.00048 0.02217 -0.00664 0.00051 -0.00166 13 7D 0 -0.00043 0.02388 -0.06643 -0.00148 0.01312 14 7D+1 0.00009 -0.00491 0.01187 -0.00499 -0.00393 15 7D-1 -0.00037 0.02018 -0.04959 -0.00392 0.01193 16 7D+2 -0.00082 0.04142 -0.10096 -0.00907 0.01964 17 7D-2 -0.00042 0.02157 -0.05214 0.00290 0.01219 18 8D 0 0.00072 0.00743 -0.01894 -0.00071 0.00372 19 8D+1 -0.00015 -0.00152 0.00324 -0.00063 -0.00099 20 8D-1 0.00061 0.00626 -0.01369 -0.00099 0.00342 21 8D+2 0.00122 0.01281 -0.02802 -0.00236 0.00598 22 8D-2 0.00063 0.00669 -0.01443 0.00060 0.00357 23 2 Cu 1S -0.00086 -0.00230 -0.00667 -0.00365 -0.00065 24 2S -0.00294 0.12155 -0.10826 -0.03774 -0.02004 25 3S -0.01082 0.10070 -0.15231 -0.02784 -0.01373 26 4PX -0.00076 0.01189 0.08411 0.00134 -0.00065 27 4PY -0.00192 -0.00752 0.01645 0.00197 0.00234 28 4PZ 0.00138 -0.00589 -0.07187 -0.00058 0.00020 29 5PX 0.00314 -0.03075 0.04661 -0.00029 0.00120 30 5PY 0.00070 -0.00128 0.01334 -0.00149 -0.00722 31 5PZ -0.00263 0.02359 -0.04019 -0.00602 -0.00165 32 6PX 0.00110 -0.00365 0.02654 -0.00222 0.00030 33 6PY 0.00080 0.02606 0.00467 -0.00877 0.00391 34 6PZ -0.00109 -0.00849 -0.02220 0.00576 -0.00147 35 7D 0 0.00088 0.01388 0.03325 -0.01255 -0.00331 36 7D+1 -0.00074 -0.05359 -0.24861 0.02375 0.00721 37 7D-1 0.00004 -0.00418 -0.08193 0.00312 -0.00348 38 7D+2 0.00135 0.04288 0.11429 -0.01291 -0.00416 39 7D-2 0.00119 0.01902 0.08732 -0.00481 0.00570 40 8D 0 0.00043 0.00410 0.01233 -0.00492 -0.00144 41 8D+1 -0.00077 -0.01967 -0.08205 0.00485 0.00237 42 8D-1 -0.00009 -0.00171 -0.02774 0.00088 -0.00267 43 8D+2 0.00081 0.01463 0.03831 -0.00140 -0.00187 44 8D-2 0.00061 0.00565 0.03118 -0.00085 0.00350 45 3 Cu 1S -0.00360 -0.00646 -0.00149 -0.00107 -0.00200 46 2S -0.00419 0.07697 -0.09127 -0.02038 -0.02940 47 3S -0.00356 -0.02477 -0.11362 -0.00513 0.00189 48 4PX 0.00019 -0.00224 0.01974 0.00340 0.00043 49 4PY 0.00205 0.02617 0.01972 -0.00017 -0.00283 50 4PZ -0.00096 -0.00883 -0.02320 -0.00043 0.00193 51 5PX 0.00128 0.01164 -0.00390 -0.00862 -0.00034 52 5PY 0.00445 -0.04825 0.07749 0.00167 0.01204 53 5PZ -0.00272 0.01069 -0.02852 -0.00068 -0.00812 54 6PX 0.00150 -0.01781 0.00763 0.01609 -0.00146 55 6PY -0.00025 0.01210 0.02351 -0.01883 -0.00503 56 6PZ -0.00107 0.00799 -0.01571 -0.00236 0.00439 57 7D 0 -0.00041 -0.00704 -0.05249 0.00003 -0.00029 58 7D+1 0.00140 -0.00638 -0.08073 -0.00334 0.00395 59 7D-1 0.00069 -0.04063 -0.17631 0.00850 0.01862 60 7D+2 -0.00072 -0.03426 -0.13558 0.00508 0.00975 61 7D-2 -0.00103 0.01754 0.03731 0.00147 -0.00906 62 8D 0 -0.00026 -0.00261 -0.01722 -0.00029 -0.00080 63 8D+1 0.00048 -0.00258 -0.02604 -0.00179 0.00126 64 8D-1 0.00046 -0.01313 -0.05850 0.00247 0.00508 65 8D+2 -0.00019 -0.01107 -0.04513 0.00175 0.00184 66 8D-2 -0.00070 0.00512 0.01257 0.00190 -0.00236 67 4 Cu 1S -0.00359 -0.00646 -0.00140 0.00221 -0.00132 68 2S -0.00420 0.07677 -0.09013 0.03708 -0.01730 69 3S -0.00360 -0.02491 -0.11352 0.00472 0.00394 70 4PX -0.00125 -0.01088 -0.03127 0.00220 0.00239 71 4PY 0.00174 0.02434 0.00903 0.00311 -0.00167 72 4PZ -0.00074 -0.00747 -0.01492 -0.00057 0.00156 73 5PX -0.00364 0.01181 -0.03550 -0.00246 -0.00868 74 5PY 0.00344 -0.04809 0.07075 -0.01106 0.00733 75 5PZ -0.00200 0.01052 -0.02357 0.00398 -0.00571 76 6PX -0.00151 0.01208 -0.02035 0.00526 0.00723 77 6PY -0.00076 0.01753 0.01841 0.02771 0.00717 78 6PZ -0.00045 0.00423 -0.01084 -0.00191 0.00279 79 7D 0 0.00030 -0.01511 -0.10928 -0.00296 0.00333 80 7D+1 -0.00117 0.02077 0.12422 0.00674 -0.00864 81 7D-1 -0.00007 -0.02440 -0.09979 -0.01185 0.00696 82 7D+2 -0.00165 -0.00202 -0.01811 -0.00180 -0.00524 83 7D-2 0.00009 -0.04412 -0.15027 -0.01532 0.01215 84 8D 0 0.00001 -0.00544 -0.03578 -0.00028 0.00055 85 8D+1 -0.00050 0.00702 0.04075 0.00152 -0.00277 86 8D-1 0.00008 -0.00784 -0.03326 -0.00360 0.00171 87 8D+2 -0.00082 -0.00095 -0.00612 -0.00164 -0.00251 88 8D-2 0.00034 -0.01384 -0.05019 -0.00350 0.00288 89 5 Cu 1S -0.00084 -0.00229 -0.00687 -0.00032 -0.00153 90 2S -0.00292 0.12126 -0.11331 -0.00063 -0.02990 91 3S -0.01056 0.10030 -0.15373 -0.00049 -0.02112 92 4PX 0.00031 0.00309 0.00697 0.00162 -0.00035 93 4PY -0.00219 -0.00520 0.03784 0.00013 0.00275 94 4PZ -0.00109 0.01396 0.10590 0.00013 -0.00083 95 5PX 0.00026 -0.00369 0.00329 -0.00886 0.00009 96 5PY 0.00145 -0.00825 0.02457 -0.00044 -0.00661 97 5PZ 0.00381 -0.03764 0.05764 0.00097 0.00414 98 6PX -0.00004 -0.00651 0.00224 0.00103 -0.00027 99 6PY 0.00098 0.02828 0.01061 -0.00188 0.00183 100 6PZ 0.00136 -0.00169 0.03235 -0.00063 -0.00045 101 7D 0 0.00106 0.05928 0.21659 -0.00439 -0.01588 102 7D+1 -0.00018 0.00534 0.02115 0.01342 -0.00051 103 7D-1 0.00147 0.03977 0.19105 -0.00073 -0.00119 104 7D+2 0.00090 0.00736 -0.05359 -0.00048 -0.00184 105 7D-2 0.00060 0.00906 0.00739 0.00585 0.00043 106 8D 0 0.00089 0.02142 0.07117 -0.00132 -0.00537 107 8D+1 -0.00002 0.00234 0.00617 0.00668 -0.00007 108 8D-1 0.00092 0.01328 0.06558 -0.00007 0.00187 109 8D+2 0.00031 0.00147 -0.01681 0.00004 -0.00156 110 8D-2 0.00027 0.00259 0.00323 0.00277 0.00023 111 6 Cu 1S 0.00055 -0.00184 0.00284 -0.00048 0.00198 112 2S 0.00048 -0.07487 0.03363 -0.00314 0.01284 113 3S 0.00282 -0.02624 0.04470 -0.00163 0.00626 114 4PX 0.00047 0.00027 0.00348 0.00165 0.00079 115 4PY -0.00194 -0.00114 -0.01310 0.00079 -0.00140 116 4PZ 0.00042 0.00028 0.00341 -0.00017 0.00072 117 5PX -0.00008 0.00193 -0.00743 -0.00489 -0.00139 118 5PY 0.00035 -0.00804 0.02968 -0.00137 0.00046 119 5PZ -0.00006 0.00164 -0.00715 0.00031 -0.00129 120 6PX 0.00004 0.00607 0.00643 0.00690 0.00012 121 6PY -0.00018 -0.02637 -0.02583 0.00003 0.00665 122 6PZ -0.00002 0.00508 0.00624 -0.00013 0.00014 123 7D 0 0.00082 0.00129 0.06355 0.00075 0.00169 124 7D+1 -0.00015 -0.00020 -0.01335 -0.00157 0.00005 125 7D-1 0.00064 0.00095 0.05276 0.00005 -0.00051 126 7D+2 0.00135 0.00214 0.10324 0.00203 0.00129 127 7D-2 0.00070 0.00111 0.05445 -0.00590 -0.00095 128 8D 0 0.00018 0.00214 0.02166 0.00031 -0.00011 129 8D+1 -0.00003 -0.00041 -0.00454 -0.00020 0.00023 130 8D-1 0.00014 0.00171 0.01797 0.00024 -0.00079 131 8D+2 0.00029 0.00360 0.03519 0.00120 -0.00055 132 8D-2 0.00015 0.00187 0.01855 -0.00222 -0.00096 133 7 Cu 1S -0.00086 -0.00229 -0.00656 0.00434 0.00103 134 2S -0.00296 0.12150 -0.10649 0.05119 -0.00128 135 3S -0.01085 0.10087 -0.15205 0.03738 -0.00011 136 4PX 0.00180 -0.00909 -0.10007 0.00220 0.00061 137 4PY -0.00137 -0.01194 -0.02273 -0.00252 0.00163 138 4PZ 0.00098 -0.00279 -0.04361 0.00052 0.00028 139 5PX -0.00377 0.03406 -0.05746 0.00167 0.00184 140 5PY -0.00074 0.01239 -0.00837 0.00507 -0.00580 141 5PZ -0.00159 0.01398 -0.02471 0.00432 0.00046 142 6PX -0.00158 -0.00913 -0.03166 -0.00664 -0.00514 143 6PY 0.00028 0.02439 -0.00738 0.00579 0.00609 144 6PZ -0.00079 -0.00744 -0.01399 -0.00394 -0.00287 145 7D 0 0.00055 -0.00993 -0.08672 -0.00295 -0.00048 146 7D+1 0.00046 0.03607 0.19557 0.02239 0.00345 147 7D-1 0.00042 0.01436 0.02323 0.00779 -0.00107 148 7D+2 0.00191 0.05480 0.20851 0.02212 0.00864 149 7D-2 0.00035 0.02631 0.04725 0.01449 -0.00366 150 8D 0 0.00007 -0.00464 -0.02744 0.00077 0.00017 151 8D+1 0.00053 0.01330 0.06493 0.00537 0.00070 152 8D-1 0.00024 0.00492 0.00763 0.00222 -0.00146 153 8D+2 0.00116 0.01842 0.07105 0.00383 0.00254 154 8D-2 0.00030 0.00965 0.01440 0.00351 -0.00366 155 8 Cu 1S -0.00356 -0.00644 -0.00167 0.00027 -0.00234 156 2S -0.00415 0.07657 -0.09408 0.00339 -0.03569 157 3S -0.00365 -0.02425 -0.11285 -0.00127 0.00089 158 4PX -0.00040 -0.00575 -0.00137 0.00250 0.00132 159 4PY 0.00220 0.02709 0.02573 0.00122 -0.00338 160 4PZ 0.00036 -0.00086 0.02662 0.00007 0.00032 161 5PX -0.00077 0.01163 -0.01681 -0.00774 -0.00475 162 5PY 0.00496 -0.04838 0.08086 -0.00433 0.01479 163 5PZ 0.00190 0.01059 0.00011 -0.00012 0.00106 164 6PX 0.00034 -0.00511 -0.00322 0.00350 0.00301 165 6PY 0.00025 0.01098 0.02560 -0.00016 -0.01053 166 6PZ 0.00188 -0.02351 0.01152 0.00216 0.00126 167 7D 0 -0.00114 -0.02347 -0.04543 -0.00035 0.00889 168 7D+1 0.00004 -0.00534 -0.00042 -0.00114 0.00297 169 7D-1 -0.00167 0.02782 0.10192 0.00160 -0.01693 170 7D+2 0.00022 -0.04055 -0.20241 -0.00582 0.01611 171 7D-2 -0.00019 -0.01336 -0.07340 0.00730 0.00631 172 8D 0 -0.00026 -0.00708 -0.01584 -0.00004 0.00193 173 8D+1 0.00012 -0.00145 -0.00036 0.00028 0.00091 174 8D-1 -0.00097 0.00865 0.03381 0.00051 -0.00467 175 8D+2 0.00013 -0.01351 -0.06681 -0.00213 0.00369 176 8D-2 -0.00010 -0.00454 -0.02423 0.00380 0.00184 177 9 C 1S 0.00725 -0.03901 0.15743 0.00675 -0.02759 178 2S -0.01312 0.08151 -0.30180 -0.01505 0.06141 179 3S -0.00595 0.10603 -0.26198 -0.02344 0.09631 180 4PX 0.00191 -0.02772 0.03928 -0.01675 -0.02107 181 4PY -0.00779 0.11356 -0.16290 -0.02111 0.06451 182 4PZ 0.00178 -0.02601 0.03546 0.00484 -0.01984 183 5PX -0.00287 -0.00509 0.00044 -0.01396 -0.00269 184 5PY 0.01177 0.02086 -0.00301 -0.00267 -0.00354 185 5PZ -0.00267 -0.00488 -0.00004 0.00062 -0.00257 186 10 O 1S -0.00185 0.00265 -0.02076 -0.00143 0.00585 187 2S 0.00465 -0.00825 0.05930 0.00341 -0.01396 188 3S 0.01442 0.01469 0.09965 0.00613 -0.02506 189 4PX -0.00007 0.01185 0.01414 0.00450 0.01021 190 4PY 0.00035 -0.04830 -0.05514 0.01027 -0.03503 191 4PZ -0.00010 0.01104 0.01338 -0.00236 0.00971 192 5PX 0.00026 0.00142 0.00396 0.00799 0.00397 193 5PY -0.00101 -0.00569 -0.01445 0.00399 -0.00738 194 5PZ 0.00022 0.00128 0.00402 -0.00092 0.00379 6 7 8 9 10 6 4PZ 2.00064 7 5PX -0.00073 0.18006 8 5PY 0.00288 -0.01219 0.22730 9 5PZ 0.01554 0.00250 -0.01070 0.18283 10 6PX 0.00016 -0.04288 -0.01882 0.00475 0.37105 11 6PY -0.00136 -0.01954 0.03169 -0.01860 0.04745 12 6PZ -0.01712 0.00417 -0.01640 -0.04379 -0.01236 13 7D 0 -0.00234 -0.01265 -0.05558 -0.01399 -0.00853 14 7D+1 0.00054 0.07465 0.02606 -0.01114 0.04894 15 7D-1 0.00587 0.02590 -0.05286 -0.07747 0.01447 16 7D+2 -0.00840 0.05777 -0.05683 0.06351 0.01753 17 7D-2 -0.00390 -0.03655 -0.04771 0.02589 0.03113 18 8D 0 -0.00110 -0.00347 -0.01760 -0.00223 -0.00374 19 8D+1 -0.00001 0.02287 0.00843 -0.00246 0.01929 20 8D-1 0.00103 0.00839 -0.01765 -0.02637 0.00536 21 8D+2 -0.00201 0.01957 -0.01877 0.02017 0.00592 22 8D-2 -0.00098 -0.01411 -0.01628 0.00839 0.01268 23 2 Cu 1S 0.00309 0.00034 -0.00620 0.00226 0.00442 24 2S 0.03653 0.10690 0.04547 -0.09891 -0.10557 25 3S 0.02669 -0.01928 -0.00245 0.01782 -0.10227 26 4PX 0.00050 0.00106 0.00002 -0.01027 -0.02293 27 4PY -0.00176 -0.01384 -0.00091 0.00567 0.02186 28 4PZ 0.00196 -0.00434 -0.00475 -0.00730 -0.03614 29 5PX -0.00730 0.01826 0.00379 -0.01220 0.00652 30 5PY 0.00029 0.00770 -0.00256 -0.00311 -0.00912 31 5PZ -0.00375 -0.01330 0.00002 0.01481 -0.01217 32 6PX 0.00199 0.00309 0.00559 -0.00051 -0.01278 33 6PY 0.00507 -0.01515 -0.00671 0.01675 0.07368 34 6PZ -0.00298 0.00787 0.00073 -0.00067 -0.07514 35 7D 0 -0.00654 0.11178 0.03542 0.08954 0.19054 36 7D+1 -0.01704 -0.12212 -0.07873 0.08278 0.08455 37 7D-1 -0.00138 -0.01942 0.02343 0.01453 -0.00088 38 7D+2 0.01833 0.04203 0.03365 -0.12352 0.02561 39 7D-2 0.00871 0.02165 -0.05041 -0.07351 -0.16443 40 8D 0 -0.00405 0.03577 0.01127 0.03006 0.06379 41 8D+1 -0.00272 -0.04113 -0.02764 0.02851 0.03040 42 8D-1 0.00002 -0.00621 0.00700 0.00524 0.00021 43 8D+2 0.00533 0.01350 0.01119 -0.04053 0.00882 44 8D-2 0.00270 0.00589 -0.01654 -0.02294 -0.05357 45 3 Cu 1S 0.00163 -0.00241 -0.00259 0.00273 -0.00398 46 2S 0.02705 0.06505 0.03611 -0.06276 -0.10340 47 3S 0.00278 0.00799 -0.07835 0.02716 -0.05405 48 4PX -0.00066 -0.00986 -0.00106 -0.00040 0.02016 49 4PY 0.00240 0.00635 0.01840 -0.01662 -0.02233 50 4PZ 0.00228 -0.00343 -0.01117 -0.00427 -0.03200 51 5PX 0.00009 0.01971 0.02173 -0.00822 -0.02048 52 5PY -0.00960 0.00125 -0.01123 0.01144 -0.00677 53 5PZ -0.00491 0.00004 -0.00324 0.02195 -0.01909 54 6PX -0.00879 0.05157 0.01891 -0.04733 -0.14167 55 6PY 0.01680 -0.06234 0.01258 0.04220 0.11813 56 6PZ 0.00293 -0.01330 -0.01947 0.01823 0.05480 57 7D 0 -0.00418 0.01049 -0.02368 0.01974 -0.11535 58 7D+1 -0.00234 0.00963 -0.05611 0.03721 0.00793 59 7D-1 -0.00623 -0.03315 -0.15994 0.04539 0.03107 60 7D+2 -0.01221 0.00469 -0.09808 0.06539 0.02984 61 7D-2 0.00832 0.00035 0.05457 -0.05260 0.01328 62 8D 0 -0.00233 0.00313 -0.00793 0.00657 -0.03704 63 8D+1 -0.00040 0.00201 -0.01924 0.01390 0.00527 64 8D-1 -0.00050 -0.01159 -0.05267 0.01467 0.01067 65 8D+2 -0.00367 0.00220 -0.03159 0.02140 0.00930 66 8D-2 0.00255 -0.00022 0.01762 -0.01723 0.00523 67 4 Cu 1S 0.00112 0.00389 -0.00128 0.00182 0.00570 68 2S 0.01829 -0.08861 0.00354 -0.03909 0.11738 69 3S 0.00119 0.03163 -0.07337 0.02242 0.08093 70 4PX -0.00051 0.00094 -0.01034 0.00633 0.02864 71 4PY 0.00191 -0.01921 0.01056 -0.01096 0.03165 72 4PZ 0.00232 0.00744 -0.00704 -0.00713 0.02515 73 5PX 0.00363 0.02397 -0.00667 0.00248 -0.01112 74 5PY -0.00673 0.01726 -0.01392 0.01172 -0.00767 75 5PZ -0.00634 -0.00027 0.00108 0.02031 0.01805 76 6PX 0.00023 0.04027 -0.01365 0.01979 -0.08655 77 6PY 0.01185 0.08288 0.03641 0.03366 -0.17633 78 6PZ 0.00178 0.00836 -0.00977 0.00480 -0.01641 79 7D 0 -0.00550 0.02943 -0.06436 0.03892 0.06708 80 7D+1 0.00207 -0.05935 0.08717 -0.03093 0.07655 81 7D-1 0.00201 0.06697 -0.07282 -0.00978 -0.01385 82 7D+2 0.00009 -0.01400 0.00817 -0.00638 0.02595 83 7D-2 -0.01203 0.08184 -0.11545 0.07137 -0.02633 84 8D 0 -0.00250 0.01087 -0.02122 0.01332 0.01946 85 8D+1 -0.00051 -0.02076 0.02866 -0.01095 0.02757 86 8D-1 0.00168 0.02215 -0.02381 -0.00407 -0.00443 87 8D+2 0.00006 -0.00535 0.00280 -0.00226 0.00919 88 8D-2 -0.00368 0.02586 -0.03756 0.02330 -0.00713 89 5 Cu 1S -0.00455 0.00134 -0.00644 0.00002 0.00066 90 2S -0.04755 0.00401 0.07386 0.13436 -0.00802 91 3S -0.03476 -0.00141 -0.00616 -0.02561 -0.01415 92 4PX -0.00056 -0.01147 -0.00162 0.00562 -0.05820 93 4PY 0.00248 -0.00413 -0.00231 -0.01338 -0.01089 94 4PZ 0.00130 0.00181 0.00444 0.00635 0.00013 95 5PX 0.00177 0.00416 0.00217 0.00045 -0.01293 96 5PY 0.00073 0.00280 0.00032 0.01325 -0.00537 97 5PZ 0.00413 0.00121 0.00836 0.02627 0.00289 98 6PX 0.00168 0.00534 0.00378 0.00350 -0.07267 99 6PY -0.01149 0.00030 -0.00962 -0.02110 0.00465 100 6PZ -0.00437 -0.00200 0.00576 0.00090 0.01563 101 7D 0 -0.02867 0.03070 0.12822 0.13061 0.05784 102 7D+1 -0.00472 -0.14892 -0.00284 0.02922 -0.21144 103 7D-1 -0.02079 -0.00709 0.00777 0.12255 -0.00024 104 7D+2 -0.00127 0.00544 0.00566 0.00759 0.09518 105 7D-2 -0.00452 -0.06067 -0.00969 0.03125 -0.33068 106 8D 0 -0.00495 0.00993 0.04372 0.04403 0.01874 107 8D+1 -0.00117 -0.04892 -0.00044 0.01034 -0.06949 108 8D-1 -0.00492 -0.00267 0.00309 0.03907 0.00014 109 8D+2 -0.00038 0.00174 0.00043 0.00122 0.03178 110 8D-2 -0.00131 -0.01959 -0.00364 0.00945 -0.10981 111 6 Cu 1S -0.00043 0.00058 -0.00242 0.00053 -0.00065 112 2S -0.00290 0.01688 -0.06878 0.01571 -0.00368 113 3S -0.00152 -0.00575 0.02410 -0.00575 -0.01255 114 4PX -0.00018 -0.00185 -0.00112 0.00027 -0.04317 115 4PY 0.00072 -0.00108 0.00231 -0.00102 -0.00764 116 4PZ 0.00168 0.00027 -0.00116 -0.00201 0.00233 117 5PX 0.00032 0.01559 0.00189 -0.00043 -0.01452 118 5PY -0.00125 0.00170 0.00863 0.00150 -0.00099 119 5PZ -0.00496 -0.00044 0.00184 0.01567 0.00019 120 6PX 0.00010 0.02475 0.01463 -0.00307 -0.03148 121 6PY -0.00002 0.01468 -0.03241 0.01377 -0.00640 122 6PZ 0.00661 -0.00351 0.01318 0.02604 0.00199 123 7D 0 0.00422 -0.00621 0.02167 -0.01753 0.01382 124 7D+1 0.00239 -0.00170 -0.00746 -0.00609 -0.06260 125 7D-1 -0.00430 -0.00741 0.02471 0.01838 -0.02184 126 7D+2 -0.00053 -0.02210 0.04050 -0.01321 -0.07863 127 7D-2 0.00005 0.01886 0.02797 -0.00673 0.12694 128 8D 0 0.00154 -0.00231 0.00935 -0.00606 0.00434 129 8D+1 0.00078 -0.00127 -0.00306 -0.00186 -0.02014 130 8D-1 -0.00186 -0.00304 0.01002 0.00667 -0.00716 131 8D+2 0.00029 -0.00862 0.01673 -0.00564 -0.02627 132 8D-2 0.00023 0.00636 0.01118 -0.00281 0.04287 133 7 Cu 1S 0.00188 0.00278 -0.00572 0.00189 -0.00460 134 2S 0.02320 -0.13890 -0.00659 -0.06184 0.12409 135 3S 0.01697 0.02243 0.00621 0.01150 0.10879 136 4PX 0.00017 -0.00121 -0.00197 0.00537 0.02329 137 4PY -0.00113 0.01465 0.00477 0.00460 -0.02855 138 4PZ 0.00183 0.00340 -0.00303 -0.01058 0.03985 139 5PX 0.00480 0.02528 0.00780 0.00880 0.01041 140 5PY 0.00192 0.00298 -0.00300 0.00236 0.00979 141 5PZ -0.00719 0.00880 0.00437 0.00808 0.01050 142 6PX -0.00268 -0.00576 -0.00425 -0.00446 0.03505 143 6PY 0.00197 0.02044 -0.00101 0.01023 -0.06254 144 6PZ -0.00085 -0.00685 -0.00131 0.00263 0.05510 145 7D 0 -0.01202 -0.00591 -0.01299 0.11542 -0.21460 146 7D+1 -0.00166 -0.14525 0.00857 0.05605 0.04507 147 7D-1 0.00124 -0.04696 0.01860 0.00689 0.01321 148 7D+2 0.01559 -0.11186 -0.03846 -0.11792 0.08618 149 7D-2 0.00603 -0.07285 0.05306 -0.03143 -0.11668 150 8D 0 -0.00481 0.00007 -0.00476 0.03867 -0.07335 151 8D+1 -0.00315 -0.04904 0.00383 0.01758 0.01718 152 8D-1 -0.00020 -0.01553 0.00605 0.00256 0.00431 153 8D+2 0.00466 -0.03602 -0.01170 -0.03844 0.02816 154 8D-2 0.00166 -0.02489 0.01726 -0.01089 -0.03828 155 8 Cu 1S -0.00144 0.00022 -0.00327 -0.00309 -0.00009 156 2S -0.02691 0.00133 0.05337 0.08222 -0.01058 157 3S -0.00592 0.01739 -0.08149 0.00327 0.00425 158 4PX 0.00022 -0.01010 -0.00692 -0.00182 -0.03238 159 4PY -0.00046 -0.00553 0.02286 0.01059 -0.00957 160 4PZ 0.00370 0.00018 0.00118 -0.00884 0.00765 161 5PX -0.00072 0.01838 0.01007 0.00007 -0.04661 162 5PY 0.00376 0.00625 -0.00943 -0.00051 -0.01252 163 5PZ -0.00838 -0.00541 0.02584 0.02110 0.00703 164 6PX 0.00673 0.00274 0.00438 0.02476 -0.01127 165 6PY -0.02057 -0.01080 0.00757 -0.06639 0.00834 166 6PZ 0.01997 0.00263 0.03724 0.07384 -0.02524 167 7D 0 0.00808 0.00474 -0.05129 -0.01489 -0.03490 168 7D+1 0.00144 0.01113 -0.01031 -0.00805 0.15777 169 7D-1 -0.00258 -0.01225 0.12471 0.02698 0.02258 170 7D+2 0.00898 0.05236 -0.16083 -0.02405 -0.02415 171 7D-2 0.00205 -0.03265 -0.06132 0.00132 0.11224 172 8D 0 0.00293 0.00135 -0.01553 -0.00330 -0.01153 173 8D+1 0.00016 0.00420 -0.00289 -0.00228 0.05162 174 8D-1 0.00079 -0.00378 0.04117 0.00929 0.00754 175 8D+2 0.00260 0.01751 -0.05306 -0.00868 -0.00786 176 8D-2 0.00056 -0.01134 -0.02035 0.00026 0.03679 177 9 C 1S 0.00630 -0.01033 0.04191 -0.00971 -0.00645 178 2S -0.01409 0.03295 -0.13462 0.03075 0.00523 179 3S -0.02165 0.02784 -0.11262 0.02610 0.02059 180 4PX 0.00481 0.04206 0.04793 -0.01102 -0.00702 181 4PY -0.01977 0.04793 -0.14247 0.04492 0.04511 182 4PZ -0.01744 -0.01114 0.04560 0.04378 -0.01074 183 5PX 0.00061 0.01662 0.00375 -0.00088 -0.01806 184 5PY -0.00246 0.00370 0.00252 0.00354 -0.00145 185 5PZ -0.01406 -0.00087 0.00351 0.01674 0.00032 186 10 O 1S -0.00134 -0.00324 0.01344 -0.00296 -0.01106 187 2S 0.00321 0.00496 -0.02061 0.00447 0.01928 188 3S 0.00572 0.00741 -0.03079 0.00679 0.03235 189 4PX -0.00233 -0.06667 -0.03744 0.00852 0.12231 190 4PY 0.00963 -0.03734 0.07750 -0.03515 -0.02619 191 4PZ 0.00490 0.00850 -0.03512 -0.06861 0.00455 192 5PX -0.00090 -0.03995 -0.01462 0.00335 0.05491 193 5PY 0.00373 -0.01454 0.01609 -0.01374 0.00040 194 5PZ 0.00815 0.00332 -0.01369 -0.04080 -0.00072 11 12 13 14 15 11 6PY 0.19132 12 6PZ 0.04837 0.39285 13 7D 0 -0.05651 -0.03832 1.51165 14 7D+1 0.01470 -0.02423 -0.00244 1.51917 15 7D-1 -0.03108 -0.00324 0.01457 0.01282 1.46320 16 7D+2 -0.05832 0.04015 -0.01782 -0.00893 0.00080 17 7D-2 -0.02596 0.01361 -0.01068 0.01581 0.00461 18 8D 0 -0.02086 -0.01609 0.47686 0.00006 0.00088 19 8D+1 0.00540 -0.00988 -0.00021 0.47642 0.00073 20 8D-1 -0.01095 -0.00079 0.00293 0.00180 0.46897 21 8D+2 -0.02073 0.01527 -0.00173 -0.00160 0.00202 22 8D-2 -0.00884 0.00510 -0.00089 0.00154 0.00131 23 2 Cu 1S -0.00027 -0.00297 -0.00003 0.00216 0.00202 24 2S -0.01755 0.08937 0.00536 -0.02485 0.00177 25 3S 0.00915 0.08019 0.01938 -0.10490 -0.00314 26 4PX 0.01812 -0.03856 0.01002 -0.02127 -0.00270 27 4PY 0.00431 -0.04385 0.00413 -0.00596 0.01327 28 4PZ -0.04100 -0.01830 0.00710 0.01330 -0.00038 29 5PX -0.00066 -0.01657 -0.04257 0.06551 0.00713 30 5PY 0.00579 -0.00143 -0.00886 0.02477 -0.03082 31 5PZ -0.00780 -0.00183 -0.02464 -0.04279 0.00033 32 6PX -0.02225 -0.03805 0.01152 -0.01635 -0.00497 33 6PY -0.04007 -0.07219 0.01319 -0.01425 0.02401 34 6PZ 0.00222 -0.01903 0.01106 0.00783 0.00128 35 7D 0 0.14884 0.23406 0.02743 -0.01097 -0.00332 36 7D+1 0.10075 -0.08451 -0.01265 -0.03107 0.00177 37 7D-1 0.04197 -0.21480 0.00717 -0.00380 0.01809 38 7D+2 0.05225 -0.03672 -0.02525 0.01996 0.00873 39 7D-2 -0.05055 -0.15326 -0.00868 0.01087 -0.04955 40 8D 0 0.04955 0.07650 0.00178 -0.00092 -0.00075 41 8D+1 0.03373 -0.02961 -0.00181 -0.00904 0.00173 42 8D-1 0.01456 -0.07229 0.00271 -0.00022 0.00508 43 8D+2 0.01818 -0.01206 -0.00330 0.00737 0.00019 44 8D-2 -0.01677 -0.05156 -0.00125 0.00248 -0.01171 45 3 Cu 1S -0.00316 0.00387 0.00187 0.00186 0.00090 46 2S -0.00703 0.08359 0.00093 0.01501 -0.04233 47 3S -0.04910 0.05716 0.02021 -0.00748 -0.07938 48 4PX 0.00315 -0.04307 0.00312 0.00188 -0.00462 49 4PY 0.00221 0.00168 -0.00189 -0.00610 -0.01995 50 4PZ -0.01761 -0.00559 0.01216 0.00137 0.00515 51 5PX -0.01288 -0.01798 -0.01901 -0.00409 0.01906 52 5PY 0.00605 -0.01827 -0.00002 0.02077 0.06225 53 5PZ -0.01364 -0.03127 -0.02049 -0.00378 -0.02767 54 6PX 0.02044 0.09597 -0.01258 0.05294 0.00301 55 6PY 0.00396 -0.09388 0.00426 -0.08329 -0.05312 56 6PZ -0.01969 -0.04115 0.02360 -0.00527 0.01160 57 7D 0 -0.06231 -0.11572 0.02991 -0.00824 -0.02094 58 7D+1 0.05304 0.01257 -0.01297 -0.00250 -0.00478 59 7D-1 0.03258 -0.00619 -0.02090 -0.00296 -0.01483 60 7D+2 -0.00062 0.04326 0.01597 -0.02100 -0.00335 61 7D-2 -0.00810 0.11043 -0.00111 -0.02043 0.02284 62 8D 0 -0.02032 -0.03849 0.00523 -0.00158 -0.00323 63 8D+1 0.01890 0.00169 -0.00388 -0.00180 0.00038 64 8D-1 0.01106 -0.00261 -0.00346 -0.00051 -0.00611 65 8D+2 -0.00059 0.01464 0.00201 -0.00439 -0.00018 66 8D-2 -0.00283 0.03548 0.00364 -0.00414 0.00602 67 4 Cu 1S -0.00116 0.00231 0.00273 -0.00154 0.00062 68 2S 0.03963 0.05003 0.00160 0.00797 -0.02826 69 3S -0.02027 0.04089 0.00444 0.03665 -0.03857 70 4PX 0.00094 0.02808 0.00416 -0.00850 0.00994 71 4PY 0.01290 0.00904 -0.00714 0.01120 -0.00913 72 4PZ -0.00468 -0.02531 0.01206 0.00337 -0.00004 73 5PX -0.00042 0.01893 -0.00032 0.03008 -0.02855 74 5PY 0.00797 -0.01054 0.02140 -0.03404 0.02578 75 5PZ -0.00735 -0.04250 -0.02543 -0.00477 -0.00662 76 6PX -0.06210 -0.02993 0.01225 -0.00172 0.02279 77 6PY -0.07776 -0.07305 -0.03767 0.08347 -0.00335 78 6PZ -0.02111 -0.01173 0.02079 -0.00082 0.00370 79 7D 0 0.00789 -0.11171 0.00966 0.02424 -0.01821 80 7D+1 -0.04657 -0.11414 0.02920 0.00371 -0.00922 81 7D-1 -0.00446 0.00023 -0.01367 -0.00493 -0.00339 82 7D+2 -0.02547 0.09489 0.00806 0.00843 0.02783 83 7D-2 -0.00626 -0.04157 0.00490 0.01573 -0.01257 84 8D 0 0.00243 -0.03762 0.00091 0.00376 -0.00256 85 8D+1 -0.01546 -0.03628 0.00646 -0.00062 -0.00189 86 8D-1 -0.00154 0.00000 -0.00101 0.00113 -0.00372 87 8D+2 -0.00891 0.03140 0.00381 0.00121 0.00719 88 8D-2 -0.00180 -0.01302 -0.00195 0.00299 -0.00345 89 5 Cu 1S 0.00041 0.00505 -0.00089 0.00006 -0.00260 90 2S -0.04599 -0.13142 0.02979 0.00383 0.01315 91 3S -0.01852 -0.13042 0.11896 0.01569 0.05924 92 4PX -0.01180 0.00101 0.00297 -0.01435 0.00126 93 4PY 0.02410 0.04477 0.02025 0.00187 -0.00710 94 4PZ 0.04072 0.00014 0.02365 0.00490 0.01630 95 5PX -0.00340 0.00543 -0.01121 0.05132 -0.00413 96 5PY 0.00667 -0.00455 -0.06233 -0.00589 0.01846 97 5PZ 0.00715 0.01696 -0.07595 -0.01287 -0.06028 98 6PX -0.01247 -0.00976 0.00073 -0.02387 -0.00096 99 6PY -0.01870 0.11869 0.03603 0.00141 -0.00672 100 6PZ -0.00697 0.02272 0.01052 0.00450 0.01445 101 7D 0 -0.03342 -0.03804 -0.02163 -0.01321 -0.02981 102 7D+1 -0.06794 0.03235 -0.00729 0.04473 -0.00542 103 7D-1 -0.05935 -0.10972 -0.05410 -0.00797 0.03522 104 7D+2 0.17798 0.10105 0.00904 0.00591 -0.01295 105 7D-2 -0.00856 0.08134 -0.00773 0.01406 0.00600 106 8D 0 -0.01125 -0.01472 -0.00976 -0.00348 -0.00503 107 8D+1 -0.02258 0.00978 -0.00110 0.00595 -0.00102 108 8D-1 -0.01993 -0.03642 -0.01454 -0.00223 0.00690 109 8D+2 0.06048 0.03564 0.00036 0.00107 -0.00216 110 8D-2 -0.00229 0.02793 -0.00217 0.00047 0.00100 111 6 Cu 1S 0.00207 -0.00075 0.00294 -0.00057 0.00235 112 2S 0.01574 -0.00357 0.04183 -0.00822 0.03373 113 3S 0.04651 -0.01297 0.00512 -0.00143 0.00560 114 4PX -0.00806 0.00119 0.00191 -0.00381 -0.00007 115 4PY -0.01214 -0.00745 -0.00111 -0.00006 -0.00183 116 4PZ -0.00722 -0.04508 0.00401 0.00167 0.00085 117 5PX -0.00133 0.00043 -0.00304 0.00610 0.00016 118 5PY -0.00993 -0.00039 0.00149 0.00021 0.00258 119 5PZ -0.00180 -0.01518 -0.00610 -0.00253 -0.00165 120 6PX -0.00628 0.00115 -0.01352 0.04027 0.00718 121 6PY -0.00727 -0.00657 -0.00598 0.00716 -0.00341 122 6PZ -0.00542 -0.03217 -0.02134 -0.00966 -0.03174 123 7D 0 0.01430 -0.03176 0.00059 0.00367 -0.00688 124 7D+1 -0.02245 -0.01721 0.00512 -0.00035 -0.00135 125 7D-1 0.04325 0.15956 -0.01695 -0.00686 0.00546 126 7D+2 -0.01005 -0.05240 -0.00280 -0.00075 -0.00862 127 7D-2 0.03757 -0.02161 -0.00671 0.00902 -0.00346 128 8D 0 0.00458 -0.01134 -0.00092 0.00133 -0.00314 129 8D+1 -0.00741 -0.00613 0.00183 -0.00006 -0.00036 130 8D-1 0.01453 0.05334 -0.00666 -0.00228 0.00245 131 8D+2 -0.00327 -0.01704 -0.00241 0.00043 -0.00455 132 8D-2 0.01270 -0.00710 -0.00286 0.00269 -0.00208 133 7 Cu 1S -0.00212 -0.00173 0.00119 -0.00222 0.00061 134 2S 0.03142 0.05449 -0.00515 0.01544 0.00856 135 3S 0.05406 0.04554 -0.02596 0.06923 0.02783 136 4PX -0.02435 0.04220 0.00280 -0.01801 -0.00976 137 4PY -0.01734 -0.01719 0.00335 -0.00709 0.00690 138 4PZ -0.01734 -0.04411 0.01053 0.00381 0.00007 139 5PX -0.00045 0.01209 -0.00292 0.06077 0.02985 140 5PY 0.00966 0.00149 0.00126 0.01404 -0.01459 141 5PZ -0.00281 -0.00967 -0.03788 -0.01479 0.00038 142 6PX 0.05129 0.04476 -0.00181 -0.01763 -0.01131 143 6PY -0.05522 -0.03209 0.00819 -0.00446 0.01755 144 6PZ 0.02002 -0.05331 0.01241 0.01049 0.00430 145 7D 0 0.09608 0.20054 0.00275 0.03039 0.01199 146 7D+1 -0.02498 0.28329 0.02728 0.01075 0.00222 147 7D-1 0.00756 -0.17371 0.01638 0.00507 -0.00540 148 7D+2 0.01943 -0.09404 -0.00861 -0.01440 -0.03085 149 7D-2 0.01900 0.07719 0.00263 -0.02626 0.02451 150 8D 0 0.03146 0.06525 -0.00159 0.00419 0.00272 151 8D+1 -0.00796 0.09447 0.00327 -0.00017 -0.00058 152 8D-1 0.00285 -0.05825 0.00414 0.00003 -0.00047 153 8D+2 0.00667 -0.03108 -0.00011 -0.00273 -0.00890 154 8D-2 0.00723 0.02597 0.00280 -0.00734 0.00455 155 8 Cu 1S -0.00411 -0.00516 -0.00103 -0.00101 0.00137 156 2S -0.03256 -0.12756 -0.04703 -0.01422 0.03441 157 3S -0.06024 -0.06937 -0.04537 -0.02589 0.10372 158 4PX -0.00487 0.01422 0.00284 -0.00690 -0.00255 159 4PY 0.00450 -0.01127 -0.00836 -0.00232 0.01084 160 4PZ 0.02184 0.04566 -0.00548 0.00142 -0.00283 161 5PX -0.01308 0.00624 -0.00787 0.01942 0.00865 162 5PY 0.00929 0.00321 0.02551 0.01230 -0.05457 163 5PZ -0.00452 -0.00748 0.02032 0.00514 -0.02388 164 6PX -0.01033 -0.05359 -0.01725 -0.00942 -0.02099 165 6PY 0.03204 0.11921 0.04426 0.00472 0.06389 166 6PZ -0.01173 -0.20405 -0.06667 -0.00209 -0.05214 167 7D 0 -0.03775 0.02276 0.00622 -0.00586 0.02854 168 7D+1 0.03669 -0.00880 -0.00788 -0.00226 -0.00621 169 7D-1 -0.06203 -0.05194 0.03829 -0.00451 0.02181 170 7D+2 0.00940 -0.00101 0.01302 -0.00815 0.02270 171 7D-2 0.01725 -0.02382 0.00655 0.01730 0.01270 172 8D 0 -0.01429 0.00434 -0.00096 -0.00145 0.00634 173 8D+1 0.01153 -0.00401 -0.00241 -0.00119 -0.00170 174 8D-1 -0.02112 -0.01730 0.00952 -0.00135 0.00570 175 8D+2 0.00402 0.00142 0.00271 -0.00070 0.00428 176 8D-2 0.00594 -0.00699 0.00225 0.00155 0.00288 177 9 C 1S 0.02536 -0.00593 0.00062 -0.00012 0.00053 178 2S -0.02017 0.00448 0.00148 -0.00032 0.00127 179 3S -0.08535 0.01815 0.05396 -0.01079 0.04406 180 4PX 0.04515 -0.01001 -0.00592 0.04703 0.02011 181 4PY -0.18382 0.04070 -0.00881 0.01995 -0.03863 182 4PZ 0.04210 -0.00735 0.03988 0.02249 -0.12986 183 5PX -0.00139 0.00048 -0.00794 0.02955 0.00826 184 5PY -0.01356 -0.00191 0.00454 0.00822 -0.00932 185 5PZ -0.00177 -0.01937 0.00927 0.00770 -0.06346 186 10 O 1S 0.04689 -0.01022 0.00382 -0.00078 0.00316 187 2S -0.08217 0.01783 -0.01000 0.00201 -0.00821 188 3S -0.13669 0.02985 -0.03157 0.00648 -0.02623 189 4PX -0.02707 0.00532 0.01109 -0.04296 -0.01328 190 4PY 0.22658 -0.02280 -0.02008 -0.01313 0.01450 191 4PZ -0.02494 0.12152 -0.03544 -0.02453 0.12949 192 5PX 0.00024 -0.00037 0.01063 -0.03425 -0.00859 193 5PY 0.05416 0.00103 -0.01861 -0.00849 0.00510 194 5PZ 0.00066 0.05534 -0.01927 -0.01537 0.09149 16 17 18 19 20 16 7D+2 1.48638 17 7D-2 0.01484 1.46794 18 8D 0 -0.00050 -0.00142 0.15108 19 8D+1 -0.00215 0.00395 0.00021 0.14970 20 8D-1 0.00092 0.00138 -0.00014 -0.00058 0.15073 21 8D+2 0.47375 0.00315 0.00151 -0.00044 0.00125 22 8D-2 0.00261 0.47067 0.00051 0.00021 0.00060 23 2 Cu 1S 0.00018 -0.00141 -0.00025 0.00019 0.00065 24 2S 0.02130 0.00394 -0.00015 -0.01058 0.00230 25 3S 0.07977 0.01764 0.00429 -0.03697 -0.00042 26 4PX 0.00761 0.00323 0.00282 -0.00182 0.00000 27 4PY 0.01088 -0.00982 0.00167 -0.00009 0.00484 28 4PZ -0.01892 -0.00401 0.00221 -0.00030 -0.00087 29 5PX -0.03052 -0.01568 -0.01336 0.02083 0.00235 30 5PY -0.02380 0.03416 -0.00286 0.00752 -0.00968 31 5PZ 0.06192 0.02059 -0.00737 -0.01361 0.00002 32 6PX -0.00490 0.00294 0.00456 -0.00571 -0.00175 33 6PY 0.02685 -0.00951 0.00524 -0.00413 0.00850 34 6PZ -0.02287 -0.00534 0.00385 0.00237 0.00025 35 7D 0 -0.03628 -0.00019 0.00116 -0.00185 -0.00092 36 7D+1 0.02227 0.00358 -0.00120 -0.00387 0.00101 37 7D-1 0.02344 -0.03302 0.00186 0.00108 0.00442 38 7D+2 -0.00414 -0.00034 -0.00333 0.00346 0.00105 39 7D-2 -0.02415 0.02392 -0.00260 0.00044 -0.01067 40 8D 0 -0.00782 0.00206 -0.00191 0.00023 -0.00016 41 8D+1 0.00771 -0.00096 0.00039 -0.00080 0.00071 42 8D-1 0.00566 -0.00556 0.00064 0.00070 0.00113 43 8D+2 -0.00307 0.00081 0.00051 0.00135 -0.00059 44 8D-2 -0.00810 0.00365 -0.00031 -0.00022 -0.00197 45 3 Cu 1S 0.00128 0.00218 0.00070 0.00066 0.00056 46 2S -0.04143 0.03173 -0.00120 0.00341 -0.01353 47 3S -0.03943 0.08575 0.00779 -0.00081 -0.02867 48 4PX -0.00537 -0.00668 0.00119 0.00157 -0.00089 49 4PY -0.01533 0.00292 0.00047 -0.00130 -0.00418 50 4PZ 0.00993 -0.00552 0.00407 -0.00076 0.00034 51 5PX 0.01278 -0.00627 -0.00637 -0.00184 0.00685 52 5PY 0.04207 -0.02426 0.00047 0.00654 0.02017 53 5PZ -0.02233 0.03562 -0.00571 -0.00059 -0.01021 54 6PX -0.04472 -0.03146 -0.00474 0.01631 0.00108 55 6PY 0.01289 0.02731 0.00161 -0.02746 -0.01776 56 6PZ 0.02861 0.00097 0.00889 -0.00085 0.00352 57 7D 0 0.02572 -0.00929 0.00430 -0.00163 -0.00310 58 7D+1 -0.02441 -0.01752 -0.00424 -0.00097 -0.00101 59 7D-1 -0.01417 0.01057 -0.00223 0.00023 -0.00438 60 7D+2 0.00987 0.02563 0.00253 -0.00385 0.00102 61 7D-2 0.03362 0.02618 0.00255 -0.00432 0.00392 62 8D 0 0.00711 -0.00066 -0.00005 -0.00015 0.00013 63 8D+1 -0.00455 -0.00377 -0.00127 -0.00060 0.00028 64 8D-1 -0.00473 -0.00063 0.00038 0.00024 -0.00184 65 8D+2 0.00056 0.00664 -0.00027 -0.00045 0.00066 66 8D-2 0.01052 0.00534 0.00214 -0.00055 0.00077 67 4 Cu 1S 0.00194 -0.00057 0.00105 -0.00065 0.00038 68 2S -0.00058 -0.06228 -0.00152 0.00338 -0.00914 69 3S 0.05200 -0.10068 0.00291 0.01211 -0.01422 70 4PX 0.00857 0.01056 0.00001 -0.00125 0.00241 71 4PY 0.00012 -0.01410 -0.00112 0.00283 -0.00172 72 4PZ -0.00029 0.01013 0.00361 0.00234 -0.00035 73 5PX 0.00608 -0.05075 0.00034 0.00958 -0.00971 74 5PY -0.00371 0.04244 0.00748 -0.01085 0.00824 75 5PZ 0.01412 -0.03498 -0.00739 -0.00109 -0.00305 76 6PX 0.03993 0.02644 0.00528 -0.00139 0.00747 77 6PY 0.07618 0.00318 -0.01173 0.02749 -0.00137 78 6PZ 0.00409 0.01661 0.00787 -0.00019 0.00095 79 7D 0 0.00546 0.01328 0.00022 0.00346 -0.00281 80 7D+1 0.01536 0.02159 0.00557 -0.00033 -0.00107 81 7D-1 0.01620 -0.00861 -0.00002 0.00066 -0.00267 82 7D+2 0.05625 0.01316 0.00310 0.00159 0.00643 83 7D-2 0.00031 -0.01776 0.00004 0.00138 -0.00149 84 8D 0 0.00257 0.00372 -0.00063 -0.00022 0.00015 85 8D+1 0.00447 0.00402 0.00082 -0.00067 0.00001 86 8D-1 0.00172 -0.00118 0.00114 0.00112 -0.00175 87 8D+2 0.01365 0.00349 0.00137 0.00000 0.00147 88 8D-2 -0.00213 -0.00704 -0.00118 -0.00027 -0.00024 89 5 Cu 1S 0.00168 0.00030 0.00024 0.00025 -0.00103 90 2S 0.00483 0.00392 0.01349 0.00312 0.00082 91 3S 0.00785 0.01080 0.04214 0.00688 0.01658 92 4PX -0.00296 -0.00414 0.00060 -0.00453 0.00014 93 4PY 0.01027 0.00265 0.00367 -0.00007 -0.00339 94 4PZ -0.00104 0.00239 0.00127 0.00049 0.00190 95 5PX 0.00338 0.01628 -0.00354 0.01584 -0.00134 96 5PY -0.01834 -0.00156 -0.01937 -0.00177 0.00552 97 5PZ -0.00661 -0.01403 -0.02421 -0.00398 -0.01937 98 6PX -0.00828 -0.00535 0.00051 -0.00864 -0.00037 99 6PY 0.02328 0.00795 0.01177 -0.00002 -0.00202 100 6PZ -0.00628 -0.00052 0.00367 0.00145 0.00549 101 7D 0 0.01270 -0.00184 -0.00325 -0.00163 -0.00433 102 7D+1 0.01290 0.01568 -0.00036 0.00496 -0.00069 103 7D-1 -0.03717 -0.00494 -0.00891 -0.00083 0.00560 104 7D+2 -0.00582 0.00607 0.00028 0.00081 -0.00326 105 7D-2 0.00247 -0.01825 -0.00166 0.00172 0.00043 106 8D 0 0.00220 0.00047 -0.00187 -0.00024 0.00013 107 8D+1 0.00393 0.00064 0.00028 -0.00116 0.00002 108 8D-1 -0.01070 -0.00299 -0.00176 -0.00015 0.00039 109 8D+2 -0.00011 0.00163 -0.00078 -0.00003 -0.00039 110 8D-2 0.00043 -0.00457 -0.00043 -0.00073 -0.00016 111 6 Cu 1S 0.00489 0.00254 0.00082 -0.00016 0.00066 112 2S 0.07003 0.03639 0.01387 -0.00272 0.01120 113 3S 0.01037 0.00571 0.00156 -0.00049 0.00187 114 4PX 0.00090 -0.00141 0.00052 -0.00127 -0.00015 115 4PY -0.00417 -0.00252 -0.00013 -0.00015 -0.00018 116 4PZ -0.00097 -0.00007 0.00081 0.00032 0.00095 117 5PX -0.00115 0.00187 -0.00061 0.00108 -0.00002 118 5PY 0.00632 0.00371 0.00089 0.00000 0.00071 119 5PZ 0.00147 0.00011 -0.00069 -0.00015 -0.00105 120 6PX 0.01256 -0.00912 -0.00453 0.01355 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0.03026 -0.03549 0.00020 0.00468 -0.00457 141 5PZ 0.04641 0.02616 -0.01164 -0.00440 0.00017 142 6PX -0.01327 -0.01402 -0.00151 -0.00601 -0.00401 143 6PY 0.00678 0.03123 0.00353 -0.00200 0.00608 144 6PZ -0.01673 -0.01159 0.00431 0.00418 0.00135 145 7D 0 -0.00743 -0.00960 -0.00147 0.00351 0.00173 146 7D+1 -0.02123 -0.03222 0.00165 0.00174 0.00019 147 7D-1 -0.01557 0.01894 0.00269 -0.00025 -0.00077 148 7D+2 -0.00686 -0.04851 -0.00327 0.00016 -0.00680 149 7D-2 -0.01821 0.03289 0.00240 -0.00570 0.00505 150 8D 0 -0.00037 -0.00202 -0.00124 -0.00071 0.00020 151 8D+1 -0.00470 -0.00972 -0.00130 -0.00057 -0.00031 152 8D-1 -0.00303 0.00237 0.00041 -0.00061 0.00017 153 8D+2 -0.00449 -0.01423 -0.00020 0.00073 -0.00181 154 8D-2 -0.00276 0.00509 0.00133 -0.00138 0.00045 155 8 Cu 1S 0.00273 0.00147 -0.00018 -0.00032 0.00033 156 2S -0.03235 -0.00810 -0.01367 -0.00353 0.00923 157 3S -0.04527 -0.00122 -0.01841 -0.01004 0.03753 158 4PX 0.00710 -0.00909 0.00075 -0.00280 -0.00085 159 4PY -0.02210 -0.01040 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0.00238 0.00041 -0.00090 -0.02636 -0.05641 67 4 Cu 1S 0.00073 0.00009 0.00129 -0.00099 -0.00536 68 2S -0.00188 -0.01858 -0.00031 -0.05153 0.02401 69 3S 0.01842 -0.03759 0.00281 -0.01229 -0.00249 70 4PX 0.00352 0.00229 0.00219 -0.01176 0.01764 71 4PY 0.00110 -0.00270 -0.00068 0.00917 -0.00275 72 4PZ -0.00016 0.00257 -0.00065 0.00700 -0.00628 73 5PX 0.00268 -0.01865 0.00176 0.03999 0.03154 74 5PY -0.00040 0.01329 -0.00193 -0.03022 -0.02375 75 5PZ 0.00457 -0.01183 0.00026 -0.01909 0.00014 76 6PX 0.01405 0.00743 0.00002 0.03892 0.02044 77 6PY 0.02536 0.00046 -0.00888 0.03320 -0.03748 78 6PZ 0.00152 0.00519 0.00027 0.00233 -0.00924 79 7D 0 0.00153 0.00218 0.00032 0.01800 0.09014 80 7D+1 0.00465 0.00435 0.00258 0.00972 0.05672 81 7D-1 0.00211 -0.00033 -0.00193 0.00627 -0.08035 82 7D+2 0.01252 0.00356 -0.00314 -0.05347 -0.00511 83 7D-2 -0.00010 -0.00417 0.00342 0.01683 0.06404 84 8D 0 0.00073 0.00045 -0.00004 0.00698 0.02976 85 8D+1 0.00133 0.00048 0.00087 0.00177 0.01868 86 8D-1 -0.00050 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0.02568 -0.00002 0.00008 77 6PY 0.02802 -0.02258 0.04689 0.01253 -0.00065 78 6PZ -0.00471 -0.00287 0.00399 0.00159 -0.00024 79 7D 0 -0.00096 -0.00039 0.00171 -0.00545 -0.00572 80 7D+1 -0.00197 0.00132 -0.00074 0.00072 -0.00434 81 7D-1 0.00080 0.00120 -0.00120 0.01249 -0.01471 82 7D+2 0.00410 -0.00001 -0.00052 -0.01184 0.01046 83 7D-2 -0.00291 0.00098 0.00028 -0.00413 0.00966 84 8D 0 -0.00023 -0.00018 0.00032 -0.00170 -0.00223 85 8D+1 -0.00067 -0.00011 0.00050 0.00032 -0.00131 86 8D-1 0.00061 0.00069 -0.00060 0.00422 -0.00502 87 8D+2 0.00091 0.00064 0.00003 -0.00388 0.00345 88 8D-2 -0.00084 0.00074 -0.00028 -0.00100 0.00354 89 5 Cu 1S -0.00143 0.00016 0.00258 -0.00009 -0.00014 90 2S -0.00402 -0.00211 -0.00305 -0.01092 -0.00061 91 3S -0.01319 -0.01280 0.01945 -0.00332 -0.00096 92 4PX -0.00002 0.00026 0.00023 -0.00279 -0.00073 93 4PY 0.00004 0.00047 0.00019 0.00318 -0.00062 94 4PZ 0.00038 -0.00034 -0.00060 0.00505 0.00217 95 5PX -0.00018 0.00042 -0.00076 0.00245 0.00038 96 5PY 0.00154 -0.00076 -0.00320 0.00235 0.00153 97 5PZ 0.00271 0.00225 -0.00720 0.00383 0.00188 98 6PX 0.00703 -0.00064 0.01070 -0.00165 0.00183 99 6PY -0.01932 -0.01657 -0.00332 -0.00498 -0.00067 100 6PZ -0.00439 -0.00506 -0.00555 0.00245 -0.00112 101 7D 0 -0.00016 -0.00006 -0.00204 -0.00889 0.00193 102 7D+1 -0.00168 -0.00125 0.00274 -0.02330 -0.00419 103 7D-1 -0.00095 -0.00224 0.00016 -0.00764 0.01247 104 7D+2 0.00010 0.00039 -0.00142 -0.00898 -0.00033 105 7D-2 -0.00059 -0.00099 -0.00029 -0.01781 0.00001 106 8D 0 -0.00034 -0.00045 -0.00016 -0.00293 0.00072 107 8D+1 -0.00041 -0.00077 0.00090 -0.00800 -0.00161 108 8D-1 -0.00067 -0.00095 0.00081 -0.00260 0.00437 109 8D+2 0.00033 0.00001 -0.00039 -0.00313 0.00016 110 8D-2 -0.00002 -0.00051 -0.00025 -0.00601 0.00008 111 6 Cu 1S -0.00054 -0.00055 0.00057 0.00026 -0.00031 112 2S -0.00177 -0.00197 0.00202 -0.00971 0.02271 113 3S 0.02690 -0.00039 -0.02038 -0.01039 0.01010 114 4PX -0.00075 0.00067 0.00017 0.00295 -0.00194 115 4PY 0.00044 -0.00088 -0.00006 -0.00552 0.00807 116 4PZ 0.00023 -0.00020 -0.00028 0.00158 -0.00121 117 5PX 0.00488 -0.00226 -0.00132 -0.00387 0.00321 118 5PY -0.00444 0.00474 0.00241 0.00490 -0.00656 119 5PZ -0.00020 0.00057 0.00194 0.00027 0.00008 120 6PX 0.01017 -0.01921 0.00934 0.00796 -0.00393 121 6PY 0.00458 -0.00495 0.00362 0.00474 -0.00217 122 6PZ 0.00032 0.02150 0.00366 -0.00629 0.00415 123 7D 0 0.00092 -0.00114 0.00067 0.01687 -0.01565 124 7D+1 0.00051 0.00036 -0.00118 0.01391 -0.02174 125 7D-1 -0.00005 -0.00031 0.00099 -0.01905 0.02424 126 7D+2 -0.00074 -0.00219 0.00044 -0.01287 0.01715 127 7D-2 0.00108 -0.00165 -0.00015 0.03482 -0.04218 128 8D 0 -0.00057 0.00062 0.00018 0.00569 -0.00524 129 8D+1 -0.00032 0.00049 0.00019 0.00438 -0.00678 130 8D-1 0.00030 -0.00079 -0.00016 -0.00630 0.00800 131 8D+2 0.00016 -0.00025 0.00021 -0.00477 0.00497 132 8D-2 -0.00122 0.00136 0.00023 0.01154 -0.01407 133 7 Cu 1S -0.00287 -0.00055 0.00077 0.00005 -0.00020 134 2S 0.00220 0.00135 0.00499 -0.02583 -0.00929 135 3S -0.01497 -0.01333 0.01522 -0.00997 -0.00577 136 4PX -0.00074 0.00005 0.00011 -0.00565 -0.00197 137 4PY -0.00055 0.00023 -0.00015 0.00093 -0.00121 138 4PZ 0.00028 -0.00020 0.00024 -0.00053 0.00041 139 5PX -0.00610 -0.00323 0.00238 -0.00284 -0.00186 140 5PY 0.00022 -0.00161 0.00067 0.00036 0.00063 141 5PZ -0.00322 -0.00149 0.00088 -0.00132 -0.00003 142 6PX -0.00787 -0.00128 -0.01704 -0.00417 0.00053 143 6PY 0.00205 -0.00104 0.01907 0.00031 0.00168 144 6PZ 0.00432 0.00930 -0.00563 0.00274 -0.00112 145 7D 0 -0.00068 -0.00103 0.00124 -0.03192 -0.00734 146 7D+1 -0.00171 -0.00218 0.00217 -0.02163 0.00109 147 7D-1 -0.00039 0.00014 0.00037 -0.00321 0.00159 148 7D+2 0.00281 0.00054 0.00078 0.00721 0.01749 149 7D-2 0.00115 0.00125 -0.00005 -0.01641 -0.00775 150 8D 0 0.00003 -0.00052 0.00017 -0.01041 -0.00209 151 8D+1 -0.00095 -0.00117 0.00114 -0.00724 0.00024 152 8D-1 -0.00026 -0.00029 0.00011 -0.00118 0.00061 153 8D+2 0.00027 -0.00023 0.00055 0.00233 0.00614 154 8D-2 0.00068 0.00019 0.00006 -0.00569 -0.00268 155 8 Cu 1S -0.00249 0.00122 0.00223 0.00125 -0.00013 156 2S -0.00381 -0.00218 -0.00103 -0.00970 0.00762 157 3S -0.01323 0.00791 0.00696 0.00994 -0.00964 158 4PX -0.00055 0.00076 0.00061 -0.00296 0.00428 159 4PY 0.00062 -0.00067 -0.00089 0.00147 -0.00134 160 4PZ 0.00094 -0.00083 0.00047 0.00205 -0.00089 161 5PX -0.00013 0.00032 0.00131 0.00042 0.00217 162 5PY 0.00123 0.00324 -0.00117 0.00413 0.00082 163 5PZ 0.00279 -0.00152 -0.00482 -0.00003 -0.00046 164 6PX 0.00273 0.01693 0.00215 -0.00203 0.00197 165 6PY -0.00939 -0.03806 -0.01782 0.00456 -0.00160 166 6PZ 0.03531 0.03102 0.01015 0.00336 0.00427 167 7D 0 0.00050 0.00171 -0.00035 -0.00317 0.01180 168 7D+1 -0.00143 0.00257 0.00240 0.01211 -0.01358 169 7D-1 0.00174 -0.00079 -0.00289 -0.00309 -0.00105 170 7D+2 0.00033 -0.00053 -0.00157 0.00420 -0.00508 171 7D-2 -0.00210 -0.00041 0.00157 -0.01043 0.01109 172 8D 0 -0.00014 0.00094 -0.00025 -0.00085 0.00430 173 8D+1 -0.00036 0.00020 0.00061 0.00420 -0.00450 174 8D-1 -0.00010 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194 5PZ 0.00281 0.00183 -0.00055 0.00277 -0.00027 31 32 33 34 35 31 5PZ 0.01859 32 6PX -0.00144 0.01887 33 6PY 0.00173 0.00744 0.04645 34 6PZ 0.00355 -0.00201 -0.01572 0.02778 35 7D 0 -0.03223 -0.08494 -0.00004 -0.06146 1.50477 36 7D+1 0.07294 -0.05878 0.01814 0.07047 0.00536 37 7D-1 -0.00458 0.00695 0.00106 -0.02147 0.00083 38 7D+2 -0.00903 0.05323 0.04206 0.00334 -0.00620 39 7D-2 -0.00344 -0.03920 0.05343 0.05405 -0.01085 40 8D 0 -0.01036 -0.02840 0.00065 -0.02053 0.50033 41 8D+1 0.02353 -0.01970 0.00678 0.02333 0.00189 42 8D-1 -0.00121 0.00255 0.00028 -0.00748 -0.00011 43 8D+2 -0.00329 0.01794 0.01420 0.00096 -0.00023 44 8D-2 -0.00118 -0.01359 0.01875 0.01787 -0.00091 45 3 Cu 1S 0.00066 0.00245 -0.00069 -0.00147 -0.00237 46 2S 0.00827 -0.01064 -0.04561 0.02607 -0.04548 47 3S 0.00001 0.02758 -0.03922 -0.00445 -0.13866 48 4PX -0.00009 0.00841 0.01536 -0.00014 0.01457 49 4PY -0.00074 -0.00238 -0.00301 0.00953 -0.01620 50 4PZ -0.00417 0.00700 -0.00340 0.01279 -0.00510 51 5PX 0.00121 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0.01073 0.00740 0.01732 0.02480 -0.18904 92 4PX 0.00185 0.00182 -0.01346 0.01693 -0.00125 93 4PY -0.00215 -0.00582 -0.01579 0.00432 0.00162 94 4PZ -0.00460 -0.00090 -0.00895 -0.00062 0.00282 95 5PX 0.00076 0.00079 -0.00431 0.00157 -0.01077 96 5PY -0.00176 0.00028 -0.00052 0.00125 0.01391 97 5PZ -0.00215 -0.00031 -0.00321 -0.00436 0.03227 98 6PX 0.00313 0.00655 -0.01017 0.01269 -0.03555 99 6PY -0.00153 -0.00687 -0.01350 -0.00869 0.02742 100 6PZ -0.00175 -0.00132 0.00307 -0.00148 0.00622 101 7D 0 -0.00340 -0.00035 0.03162 0.00947 -0.00707 102 7D+1 0.03003 0.02377 -0.00284 0.00998 0.00611 103 7D-1 -0.00519 0.03426 0.03544 -0.02559 -0.00536 104 7D+2 0.00348 -0.01983 -0.03684 -0.00916 -0.00328 105 7D-2 0.02604 -0.01089 -0.08459 0.07267 0.00207 106 8D 0 -0.00081 -0.00005 0.01086 0.00368 -0.00565 107 8D+1 0.01004 0.00806 -0.00022 0.00305 0.00505 108 8D-1 -0.00192 0.01149 0.01181 -0.00875 -0.00473 109 8D+2 0.00100 -0.00687 -0.01279 -0.00321 -0.00045 110 8D-2 0.00848 -0.00367 -0.02845 0.02401 0.00181 111 6 Cu 1S -0.00006 0.00007 -0.00074 0.00028 -0.00136 112 2S -0.00169 -0.01201 0.00196 0.00812 0.01119 113 3S 0.00412 -0.00403 -0.00722 0.00624 -0.02931 114 4PX -0.00017 -0.01141 -0.01372 0.01448 0.00002 115 4PY 0.00172 0.00061 0.00015 -0.00021 0.00175 116 4PZ 0.00113 0.00885 0.01062 -0.00998 0.00124 117 5PX 0.00122 0.00027 -0.00308 0.00301 -0.01636 118 5PY -0.00145 0.00342 0.00038 -0.00171 0.00981 119 5PZ -0.00097 0.00043 0.00347 0.00101 -0.00645 120 6PX -0.00332 -0.00617 -0.01003 0.00956 0.03064 121 6PY -0.00204 -0.00088 -0.00165 0.00198 0.00873 122 6PZ 0.00466 0.00599 0.00854 -0.00635 0.00679 123 7D 0 -0.00181 0.01672 0.00761 0.01506 0.00189 124 7D+1 -0.00309 -0.01306 -0.01510 0.02170 -0.00142 125 7D-1 0.00517 -0.02142 -0.03559 0.00498 0.00002 126 7D+2 0.00017 0.00843 -0.00746 0.00453 0.00186 127 7D-2 -0.01103 0.00043 0.01447 -0.03291 -0.00407 128 8D 0 -0.00017 0.00571 0.00261 0.00494 0.00003 129 8D+1 -0.00140 -0.00443 -0.00449 0.00713 0.00015 130 8D-1 0.00222 -0.00715 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0.00463 -0.00203 -0.02953 0.01316 -0.00268 151 8D+1 0.00404 -0.00161 0.00177 -0.01722 0.00217 152 8D-1 0.00272 0.00944 0.01333 -0.00407 0.00057 153 8D+2 -0.00049 0.00117 0.00453 -0.00325 0.00647 154 8D-2 0.00404 -0.01361 -0.01584 0.00973 0.00269 155 8 Cu 1S -0.00004 0.00085 0.00123 0.00132 -0.00120 156 2S 0.01500 0.00136 0.03344 0.01721 -0.00927 157 3S 0.00043 0.00782 0.02889 0.01972 -0.04222 158 4PX 0.00115 -0.00795 -0.00877 0.00830 0.00060 159 4PY 0.00025 0.00261 -0.00291 -0.00155 -0.00006 160 4PZ -0.00488 -0.00457 -0.01155 -0.00119 0.00288 161 5PX 0.00283 -0.00212 -0.01118 0.01222 -0.01293 162 5PY -0.00752 0.00223 -0.00775 0.00107 0.01560 163 5PZ 0.00916 0.00336 0.00373 -0.00899 -0.00412 164 6PX 0.00465 0.00633 0.01025 -0.00110 0.00258 165 6PY -0.00715 -0.01651 -0.02331 0.00918 0.00145 166 6PZ 0.00568 0.01902 0.02847 0.00384 -0.04484 167 7D 0 -0.00094 -0.00463 -0.00468 0.00515 0.00548 168 7D+1 -0.00063 -0.00209 0.03796 -0.03997 -0.00477 169 7D-1 0.00501 0.00971 0.02584 -0.00352 -0.00005 170 7D+2 0.00077 0.00515 -0.02536 0.00299 0.00200 171 7D-2 0.00764 0.00076 0.04071 -0.03208 0.00576 172 8D 0 -0.00065 -0.00138 -0.00058 0.00172 0.00187 173 8D+1 -0.00031 -0.00068 0.01274 -0.01309 -0.00031 174 8D-1 0.00189 0.00314 0.00865 -0.00106 0.00023 175 8D+2 0.00025 0.00173 -0.00916 0.00076 0.00175 176 8D-2 0.00230 0.00038 0.01348 -0.01102 0.00340 177 9 C 1S -0.00682 0.00437 -0.00310 -0.00194 0.00348 178 2S 0.01068 -0.00824 -0.00340 0.00751 -0.00450 179 3S 0.01706 -0.00241 0.01312 -0.00337 -0.03533 180 4PX 0.00195 -0.00456 -0.02060 0.01045 0.00858 181 4PY 0.01198 0.00341 0.04378 -0.02110 -0.00610 182 4PZ -0.00099 0.00081 -0.00278 -0.00102 -0.00276 183 5PX 0.00127 -0.00124 -0.00513 0.00551 -0.01235 184 5PY 0.00041 0.00234 0.00262 -0.00129 -0.00770 185 5PZ 0.00168 0.00260 0.00453 -0.00026 -0.00339 186 10 O 1S 0.00312 -0.00193 -0.01056 0.00571 -0.00114 187 2S -0.00716 0.00417 0.01811 -0.01042 0.00228 188 3S -0.00835 0.00847 0.03455 -0.02034 0.00943 189 4PX 0.00783 -0.00572 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0.02823 0.10979 0.08965 -0.06251 92 4PX 0.00110 -0.00077 -0.00112 -0.00062 -0.00027 93 4PY 0.00042 0.00133 -0.00092 -0.00223 0.00064 94 4PZ -0.00071 0.00125 -0.00033 -0.00043 0.00058 95 5PX 0.00672 0.00586 -0.00511 0.00079 -0.00349 96 5PY -0.00569 -0.00989 -0.00292 0.00473 0.00498 97 5PZ -0.00071 -0.01447 -0.02648 -0.01970 0.01082 98 6PX -0.02151 0.01403 0.00069 0.02774 -0.01186 99 6PY -0.04386 -0.09677 0.00072 -0.04465 0.00838 100 6PZ 0.00627 -0.05442 0.00942 0.00008 0.00190 101 7D 0 0.01190 -0.00383 -0.00390 0.00501 -0.00434 102 7D+1 -0.00447 0.00009 0.00277 0.00207 0.00498 103 7D-1 -0.00215 0.00174 0.00113 0.00374 -0.00358 104 7D+2 0.00063 0.00135 -0.00059 -0.00069 -0.00142 105 7D-2 -0.00165 -0.00345 0.00300 0.00220 0.00222 106 8D 0 0.00546 -0.00130 0.00039 0.00401 -0.00252 107 8D+1 -0.00373 -0.00098 0.00183 0.00098 0.00264 108 8D-1 -0.00170 0.00222 0.00182 0.00099 -0.00219 109 8D+2 -0.00036 0.00063 0.00047 -0.00002 -0.00026 110 8D-2 -0.00198 -0.00036 0.00158 0.00104 0.00109 111 6 Cu 1S -0.00055 -0.00109 -0.00188 -0.00134 -0.00054 112 2S 0.00131 -0.00274 0.00783 0.01828 0.00577 113 3S 0.04022 -0.00651 -0.06593 -0.02905 -0.00933 114 4PX -0.00088 -0.00040 0.00090 -0.00268 0.00073 115 4PY 0.00022 -0.00077 0.00131 0.00147 -0.00037 116 4PZ 0.00143 -0.00175 -0.00012 -0.00079 0.00022 117 5PX 0.00355 -0.01157 -0.02183 -0.00035 -0.00555 118 5PY -0.00615 0.01150 0.02727 0.01345 0.00316 119 5PZ 0.00064 0.00849 0.00762 0.00402 -0.00196 120 6PX -0.01050 -0.00507 -0.01977 0.03879 0.01038 121 6PY 0.00918 0.00611 -0.02029 0.00545 0.00306 122 6PZ -0.02023 0.03565 -0.02059 -0.02788 0.00257 123 7D 0 -0.00253 0.00311 -0.00023 -0.00295 0.00060 124 7D+1 0.00531 -0.00608 -0.00290 -0.00248 0.00047 125 7D-1 -0.00643 0.00730 0.00027 0.00514 -0.00061 126 7D+2 -0.00331 -0.00109 0.01290 -0.00423 -0.00012 127 7D-2 -0.00045 0.00449 -0.00231 -0.00197 -0.00042 128 8D 0 -0.00085 0.00207 0.00109 -0.00035 -0.00001 129 8D+1 0.00160 -0.00202 0.00031 -0.00030 0.00036 130 8D-1 -0.00276 0.00246 -0.00102 0.00130 -0.00024 131 8D+2 -0.00092 -0.00063 0.00448 -0.00243 -0.00020 132 8D-2 -0.00024 0.00294 0.00084 -0.00054 0.00036 133 7 Cu 1S -0.00141 -0.00025 -0.00314 -0.00199 0.00080 134 2S 0.00680 -0.00303 -0.03701 0.00256 0.00573 135 3S -0.03354 0.02428 -0.03924 -0.08924 0.07044 136 4PX -0.00097 -0.00055 -0.00330 -0.00112 0.00096 137 4PY 0.00052 0.00090 0.00028 -0.00059 -0.00075 138 4PZ -0.00118 -0.00039 0.00097 0.00073 0.00052 139 5PX -0.00233 0.00676 0.00304 -0.02431 0.01331 140 5PY -0.00827 -0.00240 0.00680 0.00844 0.00420 141 5PZ -0.00646 0.00572 0.00405 -0.00183 0.00235 142 6PX 0.04098 -0.01189 0.04955 -0.05383 0.01181 143 6PY -0.04355 0.00358 -0.02043 0.02700 -0.02069 144 6PZ 0.05010 0.02544 0.01713 -0.00495 0.00084 145 7D 0 -0.00669 -0.00016 0.00687 0.00235 -0.00220 146 7D+1 -0.00110 -0.00185 0.00190 0.00392 0.00142 147 7D-1 0.00184 -0.00067 0.00012 -0.00266 0.00051 148 7D+2 0.00312 -0.00206 -0.00824 -0.00526 0.00556 149 7D-2 0.00469 0.00059 -0.00790 0.00404 0.00285 150 8D 0 -0.00359 -0.00027 0.00520 0.00184 -0.00144 151 8D+1 -0.00203 -0.00057 0.00167 0.00122 0.00085 152 8D-1 -0.00031 -0.00009 0.00031 0.00014 0.00027 153 8D+2 0.00078 -0.00005 -0.00342 -0.00531 0.00310 154 8D-2 0.00172 -0.00003 -0.00272 0.00293 0.00154 155 8 Cu 1S 0.00286 -0.00367 -0.00151 0.00209 -0.00037 156 2S 0.00463 -0.00703 -0.00020 0.02037 -0.00091 157 3S 0.09118 -0.13833 -0.03096 0.05474 -0.01301 158 4PX 0.00136 -0.00243 0.00053 0.00025 -0.00006 159 4PY -0.00021 -0.00087 -0.00038 -0.00210 -0.00038 160 4PZ -0.00425 0.00450 0.00129 -0.00106 0.00138 161 5PX 0.00830 -0.01935 -0.00961 0.00511 -0.00448 162 5PY -0.01998 0.01606 0.01126 -0.00842 0.00535 163 5PZ 0.00304 0.02019 0.01173 -0.00372 -0.00155 164 6PX -0.00624 0.03286 -0.02257 -0.00644 0.00127 165 6PY 0.02754 -0.11661 0.08744 0.01922 -0.00018 166 6PZ 0.00850 0.19186 -0.05170 0.04128 -0.01388 167 7D 0 -0.00031 0.00004 -0.00480 0.00234 0.00221 168 7D+1 -0.00592 0.01110 -0.00719 -0.00590 -0.00074 169 7D-1 0.01227 -0.00602 -0.00828 0.00960 -0.00023 170 7D+2 -0.00112 -0.00292 0.00604 -0.00090 0.00109 171 7D-2 -0.00626 0.00122 0.00579 -0.00081 0.00285 172 8D 0 -0.00135 -0.00004 -0.00361 0.00039 0.00079 173 8D+1 -0.00314 0.00617 -0.00162 -0.00206 0.00018 174 8D-1 0.00639 -0.00346 -0.00452 0.00542 0.00001 175 8D+2 -0.00070 -0.00113 0.00199 -0.00199 0.00070 176 8D-2 -0.00352 0.00084 0.00236 -0.00119 0.00141 177 9 C 1S -0.00469 -0.00679 0.00088 0.00934 0.00134 178 2S 0.01649 0.02262 0.00308 -0.02062 -0.00201 179 3S 0.01222 0.03604 -0.01149 -0.07496 -0.01225 180 4PX -0.01248 -0.01548 0.00835 0.01767 0.00277 181 4PY 0.01217 0.01587 0.00155 -0.02109 -0.00195 182 4PZ 0.00737 -0.00111 -0.00214 -0.00820 -0.00012 183 5PX 0.00618 -0.03661 -0.01855 0.00984 -0.00409 184 5PY -0.03628 -0.01555 0.01725 -0.00187 -0.00255 185 5PZ 0.02367 0.01508 0.02808 -0.00955 -0.00079 186 10 O 1S 0.00221 0.00116 -0.00153 -0.00230 -0.00030 187 2S -0.00303 -0.00382 0.00104 0.00569 0.00058 188 3S -0.02546 -0.00513 0.02051 0.01543 0.00313 189 4PX 0.01280 0.02259 -0.00293 -0.01579 -0.00266 190 4PY -0.00891 -0.00395 0.00322 0.01305 0.00067 191 4PZ -0.00932 -0.00469 -0.00358 0.01707 -0.00082 192 5PX 0.00586 0.02369 0.00377 -0.00993 -0.00102 193 5PY -0.00385 -0.00036 -0.00144 0.00714 0.00019 194 5PZ -0.00848 -0.00475 -0.01041 0.01417 -0.00105 41 42 43 44 45 41 8D+1 0.16577 42 8D-1 -0.00088 0.16791 43 8D+2 0.00055 -0.00002 0.16708 44 8D-2 0.00026 -0.00035 -0.00068 0.16860 45 3 Cu 1S -0.00003 -0.00010 -0.00197 -0.00274 2.00851 46 2S 0.00215 0.00210 -0.01609 -0.02574 0.01287 47 3S -0.01424 0.04079 -0.00528 -0.09894 0.01846 48 4PX -0.00082 -0.00072 0.00844 0.00000 0.00158 49 4PY -0.00078 0.00058 0.00219 -0.00557 0.00330 50 4PZ 0.00481 -0.00698 -0.00141 -0.00172 -0.00251 51 5PX -0.00761 -0.00358 -0.05136 -0.01034 -0.00523 52 5PY 0.00049 0.00154 0.01039 0.04789 0.00045 53 5PZ -0.01380 0.03919 0.00568 0.00977 0.00370 54 6PX -0.00523 -0.02445 -0.02807 0.03556 -0.00536 55 6PY -0.00335 0.03820 0.02035 -0.02627 0.00197 56 6PZ -0.00211 0.02443 0.00260 0.00300 0.00328 57 7D 0 -0.00115 0.00297 -0.00292 -0.00614 -0.00029 58 7D+1 0.00035 -0.00220 -0.00027 -0.00116 -0.00110 59 7D-1 -0.00795 0.00405 0.00608 0.00139 -0.00001 60 7D+2 -0.00422 0.00223 0.00714 -0.00577 0.00044 61 7D-2 0.00312 0.00112 -0.01010 -0.01190 -0.00046 62 8D 0 0.00018 0.00091 -0.00132 -0.00237 0.00037 63 8D+1 -0.00022 0.00197 0.00021 -0.00004 -0.00054 64 8D-1 -0.00045 -0.00136 0.00342 0.00012 -0.00044 65 8D+2 -0.00137 0.00158 -0.00066 -0.00004 0.00038 66 8D-2 0.00211 -0.00021 -0.00195 -0.00466 0.00083 67 4 Cu 1S 0.00051 -0.00042 -0.00152 0.00056 -0.00257 68 2S 0.00122 -0.00384 -0.00180 0.00479 -0.00888 69 3S 0.00429 -0.00824 -0.05140 0.02646 -0.00532 70 4PX 0.00040 0.00004 -0.00173 -0.00003 -0.00292 71 4PY 0.00005 0.00016 -0.00118 -0.00091 -0.00161 72 4PZ -0.00022 -0.00030 0.00065 -0.00007 -0.00019 73 5PX -0.00047 -0.00547 -0.01000 0.00491 -0.00438 74 5PY -0.00255 0.00082 0.00901 0.00248 -0.00100 75 5PZ 0.00159 0.00081 0.00226 0.00069 0.00002 76 6PX -0.02139 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0.00023 0.01202 -0.01813 -0.06725 0.37191 181 4PY 0.00212 -0.04940 0.07452 0.27673 -0.07333 182 4PZ -0.00023 0.01138 -0.01730 -0.06328 0.01690 183 5PX 0.00402 0.01159 -0.02164 -0.01745 0.06510 184 5PY -0.00160 -0.04751 0.08885 0.07195 0.01507 185 5PZ 0.00223 0.01095 -0.02048 -0.01642 -0.00346 186 10 O 1S 0.00024 0.01177 -0.01280 0.05331 -0.01668 187 2S -0.00046 -0.01845 0.01292 -0.12136 0.04138 188 3S -0.00152 0.01746 -0.08820 -0.12752 -0.00628 189 4PX -0.00055 0.02522 -0.06402 -0.00523 0.40321 190 4PY -0.00075 -0.10358 0.26311 0.02061 0.22917 191 4PZ 0.00018 0.02377 -0.06041 -0.00434 -0.05272 192 5PX -0.00171 0.00378 -0.00943 -0.00180 0.15322 193 5PY -0.00040 -0.01557 0.03883 0.00692 0.05541 194 5PZ -0.00046 0.00357 -0.00890 -0.00150 -0.01275 181 182 183 184 185 181 4PY 0.65533 182 4PZ -0.06933 0.37002 183 5PX 0.01499 -0.00344 0.02062 184 5PY 0.00723 0.01425 -0.00145 0.02638 185 5PZ 0.01412 0.06543 0.00033 -0.00136 0.02061 186 10 O 1S 0.06849 -0.01573 0.00127 -0.00525 0.00115 187 2S -0.16997 0.03905 0.00030 -0.00119 0.00040 188 3S 0.02591 -0.00598 0.00488 -0.01998 0.00470 189 4PX 0.22918 -0.05271 0.06219 -0.00140 0.00032 190 4PY -0.48251 0.21637 -0.00139 0.06746 -0.00139 191 4PZ 0.21639 0.40910 0.00029 -0.00130 0.06207 192 5PX 0.05542 -0.01275 0.01738 0.00156 -0.00036 193 5PY -0.06093 0.05228 0.00158 0.01123 0.00145 194 5PZ 0.05231 0.15466 -0.00037 0.00148 0.01739 186 187 188 189 190 186 10 O 1S 2.11844 187 2S -0.25809 0.60124 188 3S -0.25057 0.52596 0.54779 189 4PX -0.00895 0.01539 0.07379 0.84432 190 4PY 0.03677 -0.06327 -0.30301 -0.00140 0.84976 191 4PZ -0.00845 0.01455 0.06958 0.00036 -0.00131 192 5PX -0.00751 0.01813 0.02608 0.32878 0.03952 193 5PY 0.03084 -0.07448 -0.10709 0.03956 0.17603 194 5PZ -0.00708 0.01709 0.02457 -0.00907 0.03736 191 192 193 194 191 4PZ 0.84448 192 5PX -0.00904 0.13359 193 5PY 0.03727 0.02218 0.04797 194 5PZ 0.32996 -0.00508 0.02092 0.13426 Full Mulliken population analysis: 1 2 3 4 5 1 1 Cu 1S 1.99541 2 2S 0.00009 0.25534 3 3S 0.00909 -0.11434 0.68149 4 4PX 0.00000 0.00000 0.00000 2.00067 5 4PY 0.00000 0.00000 0.00000 0.00000 2.00947 6 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 7 5PX 0.00000 0.00000 0.00000 0.00210 0.00000 8 5PY 0.00000 0.00000 0.00000 0.00000 0.00066 9 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 6PX 0.00000 0.00000 0.00000 -0.00056 0.00000 11 6PY 0.00000 0.00000 0.00000 0.00000 -0.00040 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 -0.00009 -0.00057 0.00000 0.00000 24 2S -0.00012 0.03103 -0.04213 -0.00087 -0.00005 25 3S -0.00092 0.03918 -0.09728 -0.00048 -0.00003 26 4PX 0.00000 -0.00027 -0.00145 0.00000 0.00000 27 4PY 0.00000 0.00002 -0.00003 0.00000 0.00000 28 4PZ 0.00000 -0.00011 -0.00099 0.00000 0.00000 29 5PX -0.00035 0.01078 -0.01547 0.00001 -0.00001 30 5PY -0.00001 0.00005 -0.00052 0.00001 -0.00015 31 5PZ -0.00024 0.00661 -0.01066 -0.00023 -0.00001 32 6PX -0.00010 0.00132 -0.01290 -0.00001 0.00000 33 6PY -0.00001 -0.00110 -0.00027 0.00001 0.00007 34 6PZ -0.00008 -0.00245 -0.00862 0.00005 0.00000 35 7D 0 0.00000 0.00001 0.00001 0.00000 0.00000 36 7D+1 0.00000 0.00053 0.00067 0.00000 0.00000 37 7D-1 0.00000 0.00000 0.00003 0.00000 0.00000 38 7D+2 0.00000 0.00026 0.00019 0.00000 0.00000 39 7D-2 0.00000 0.00003 0.00003 0.00000 0.00000 40 8D 0 0.00000 0.00005 0.00005 -0.00003 0.00000 41 8D+1 0.00002 0.00231 0.00325 -0.00012 -0.00001 42 8D-1 0.00000 0.00002 0.00013 0.00000 -0.00001 43 8D+2 0.00001 0.00106 0.00094 -0.00002 -0.00001 44 8D-2 0.00000 0.00010 0.00018 0.00000 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8D+2 0.00000 0.00080 0.00117 -0.00001 -0.00002 66 8D-2 0.00000 0.00024 0.00021 0.00000 -0.00002 67 4 Cu 1S 0.00000 -0.00022 -0.00011 0.00000 0.00000 68 2S -0.00014 0.01788 -0.03320 -0.00063 -0.00027 69 3S -0.00028 -0.00918 -0.06976 -0.00007 0.00005 70 4PX 0.00000 -0.00019 -0.00046 0.00000 0.00000 71 4PY 0.00000 -0.00038 -0.00012 0.00000 0.00000 72 4PZ 0.00000 -0.00007 -0.00012 0.00000 0.00000 73 5PX -0.00032 0.00348 -0.01020 0.00004 -0.00028 74 5PY -0.00028 0.01312 -0.01881 -0.00035 -0.00008 75 5PZ -0.00010 0.00169 -0.00369 -0.00007 -0.00010 76 6PX -0.00012 0.00383 -0.00877 0.00004 0.00006 77 6PY 0.00006 -0.00515 -0.00734 0.00024 0.00007 78 6PZ -0.00002 0.00073 -0.00255 0.00001 0.00001 79 7D 0 0.00000 0.00005 0.00010 0.00000 0.00000 80 7D+1 0.00000 0.00010 0.00018 0.00000 0.00000 81 7D-1 0.00000 0.00010 0.00013 0.00000 0.00000 82 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 83 7D-2 0.00000 0.00034 0.00037 0.00000 0.00000 84 8D 0 0.00000 0.00021 0.00050 0.00000 0.00000 85 8D+1 0.00000 0.00041 0.00086 -0.00001 -0.00002 86 8D-1 0.00000 0.00043 0.00065 -0.00003 -0.00001 87 8D+2 0.00000 -0.00001 -0.00002 0.00000 -0.00001 88 8D-2 0.00000 0.00138 0.00179 -0.00005 -0.00003 89 5 Cu 1S 0.00000 -0.00009 -0.00058 0.00000 0.00000 90 2S -0.00012 0.03095 -0.04408 0.00000 -0.00024 91 3S -0.00090 0.03902 -0.09817 0.00000 -0.00013 92 4PX 0.00000 -0.00001 -0.00001 0.00000 0.00000 93 4PY 0.00000 0.00004 -0.00023 0.00000 0.00000 94 4PZ 0.00000 -0.00039 -0.00226 0.00000 0.00000 95 5PX 0.00000 0.00014 -0.00011 -0.00019 0.00000 96 5PY -0.00006 0.00102 -0.00287 0.00000 -0.00010 97 5PZ -0.00053 0.01625 -0.02356 -0.00001 -0.00009 98 6PX 0.00000 0.00025 -0.00011 0.00002 0.00000 99 6PY -0.00003 -0.00359 -0.00182 0.00000 0.00003 100 6PZ -0.00016 0.00075 -0.01936 0.00000 0.00000 101 7D 0 0.00000 0.00061 0.00062 0.00000 0.00000 102 7D+1 0.00000 0.00001 0.00001 0.00000 0.00000 103 7D-1 0.00000 0.00021 0.00028 0.00000 0.00000 104 7D+2 0.00000 -0.00001 0.00001 0.00000 0.00000 105 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 106 8D 0 0.00002 0.00263 0.00296 0.00000 -0.00006 107 8D+1 0.00000 0.00004 0.00004 -0.00004 0.00000 108 8D-1 0.00001 0.00085 0.00141 0.00000 0.00000 109 8D+2 0.00000 -0.00001 0.00005 0.00000 0.00000 110 8D-2 0.00000 0.00001 0.00001 0.00000 0.00000 111 6 Cu 1S 0.00000 0.00000 0.00005 0.00000 0.00000 112 2S 0.00000 -0.00213 0.00407 0.00000 0.00001 113 3S 0.00005 -0.00317 0.01261 0.00000 0.00005 114 4PX 0.00000 0.00000 0.00001 0.00000 0.00000 115 4PY 0.00000 0.00000 0.00010 0.00000 0.00000 116 4PZ 0.00000 0.00000 0.00001 0.00000 0.00000 117 5PX 0.00000 0.00005 -0.00040 0.00000 0.00000 118 5PY 0.00000 0.00088 -0.00660 0.00000 0.00000 119 5PZ 0.00000 0.00004 -0.00035 0.00000 0.00000 120 6PX 0.00000 0.00049 0.00084 0.00004 0.00000 121 6PY 0.00001 0.00882 0.01389 0.00000 -0.00008 122 6PZ 0.00000 0.00038 0.00075 0.00000 0.00000 123 7D 0 0.00000 0.00000 -0.00005 0.00000 0.00000 124 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 125 7D-1 0.00000 0.00000 -0.00003 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0.00024 185 5PZ 0.00013 0.00048 0.00000 0.00000 -0.00007 186 10 O 1S 0.00000 0.00001 -0.00024 0.00000 0.00000 187 2S 0.00000 -0.00013 0.00409 0.00000 0.00000 188 3S 0.00000 0.00081 0.01598 0.00000 0.00001 189 4PX 0.00000 -0.00005 -0.00010 0.00000 0.00000 190 4PY 0.00000 -0.00092 -0.00162 0.00000 0.00000 191 4PZ 0.00000 -0.00005 -0.00009 0.00000 0.00000 192 5PX 0.00000 -0.00005 -0.00015 0.00000 0.00001 193 5PY -0.00001 -0.00076 -0.00228 0.00001 0.00005 194 5PZ 0.00000 -0.00004 -0.00015 0.00000 0.00001 6 7 8 9 10 6 4PZ 2.00064 7 5PX 0.00000 0.18006 8 5PY 0.00000 0.00000 0.22730 9 5PZ 0.00210 0.00000 0.00000 0.18283 10 6PX 0.00000 -0.02659 0.00000 0.00000 0.37105 11 6PY 0.00000 0.00000 0.01965 0.00000 0.00000 12 6PZ -0.00053 0.00000 0.00000 -0.02716 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 0.00004 -0.00008 -0.00020 0.00041 24 2S -0.00067 0.03746 0.00187 0.02771 -0.03806 25 3S -0.00037 -0.00640 -0.00010 -0.00473 -0.04970 26 4PX 0.00000 -0.00003 0.00000 -0.00040 -0.00015 27 4PY 0.00000 0.00008 -0.00002 0.00003 -0.00003 28 4PZ 0.00000 -0.00017 -0.00002 0.00007 -0.00034 29 5PX -0.00028 -0.00123 -0.00020 -0.00434 0.00128 30 5PY 0.00000 -0.00040 -0.00095 -0.00013 0.00022 31 5PZ 0.00003 -0.00473 0.00000 0.00138 -0.00203 32 6PX 0.00002 0.00061 -0.00014 -0.00008 -0.00654 33 6PY 0.00001 0.00037 -0.00270 0.00033 -0.00216 34 6PZ -0.00003 0.00131 0.00001 -0.00018 -0.01505 35 7D 0 0.00000 0.00075 0.00003 0.00064 0.00026 36 7D+1 0.00000 0.00107 0.00015 0.00031 0.00005 37 7D-1 0.00000 0.00004 0.00016 0.00001 0.00000 38 7D+2 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0.00000 171 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 172 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 173 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 174 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 175 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 176 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 177 9 C 1S 0.00000 0.00001 0.00000 0.00000 -0.00011 178 2S -0.00001 -0.00009 0.00003 0.00000 0.00158 179 3S -0.00006 -0.00095 0.00008 -0.00014 0.00274 180 4PX 0.00003 0.00001 0.00000 0.00009 0.00007 181 4PY 0.00000 -0.00024 0.00004 -0.00003 0.00067 182 4PZ 0.00000 0.00000 0.00009 0.00001 -0.00001 183 5PX 0.00017 0.00001 0.00000 0.00022 -0.00002 184 5PY 0.00003 -0.00098 -0.00010 0.00004 0.00020 185 5PZ 0.00001 0.00001 0.00056 0.00004 0.00038 186 10 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 187 2S 0.00000 0.00001 0.00000 -0.00001 0.00004 188 3S 0.00000 0.00003 0.00000 -0.00005 0.00009 189 4PX 0.00000 0.00000 0.00000 -0.00003 0.00001 190 4PY 0.00000 0.00001 0.00000 -0.00001 -0.00037 191 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00006 192 5PX 0.00000 0.00000 0.00000 -0.00009 0.00004 193 5PY 0.00000 0.00005 0.00000 -0.00005 -0.00084 194 5PZ 0.00000 0.00000 -0.00002 -0.00001 -0.00017 166 167 168 169 170 166 6PZ 0.19177 167 7D 0 0.00000 1.49282 168 7D+1 0.00000 0.00000 1.49267 169 7D-1 0.00000 0.00000 0.00000 1.48239 170 7D+2 0.00000 0.00000 0.00000 0.00000 1.50167 171 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 172 8D 0 0.00000 0.14639 0.00000 0.00000 0.00000 173 8D+1 0.00000 0.00000 0.14542 0.00000 0.00000 174 8D-1 0.00000 0.00000 0.00000 0.14670 0.00000 175 8D+2 0.00000 0.00000 0.00000 0.00000 0.14546 176 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 177 9 C 1S -0.00003 0.00000 0.00000 0.00000 0.00000 178 2S 0.00021 0.00000 0.00000 0.00000 0.00000 179 3S 0.00106 0.00000 0.00000 0.00000 0.00000 180 4PX 0.00003 0.00000 0.00000 0.00000 0.00000 181 4PY 0.00040 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00110 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00002 0.00000 0.00000 0.00000 0.00000 184 5PY -0.00004 -0.00001 0.00000 0.00001 0.00002 185 5PZ 0.00273 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00002 0.00000 0.00000 0.00000 0.00000 188 3S 0.00012 0.00000 0.00000 0.00000 0.00000 189 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 190 4PY -0.00004 0.00000 0.00000 0.00000 0.00000 191 4PZ -0.00027 0.00000 0.00000 0.00000 0.00000 192 5PX -0.00001 0.00000 0.00000 0.00000 0.00000 193 5PY -0.00002 0.00000 0.00000 0.00000 0.00000 194 5PZ -0.00091 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 7D-2 1.51158 172 8D 0 0.00000 0.16230 173 8D+1 0.00000 0.00000 0.15994 174 8D-1 0.00000 0.00000 0.00000 0.16391 175 8D+2 0.00000 0.00000 0.00000 0.00000 0.15912 176 8D-2 0.14650 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 0.00002 0.00004 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 0.00001 184 5PY 0.00000 -0.00006 0.00000 0.00005 0.00022 185 5PZ 0.00000 -0.00001 0.00000 0.00000 -0.00002 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 0.16043 177 9 C 1S 0.00000 2.09428 178 2S 0.00000 -0.04976 0.51302 179 3S 0.00000 -0.03672 0.31485 0.42653 180 4PX 0.00000 0.00000 0.00000 0.00000 0.37191 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 -0.00001 0.00000 0.00000 0.00000 0.03507 184 5PY 0.00002 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 -0.00037 0.00302 -0.00027 187 2S 0.00000 -0.00025 0.00263 -0.03768 0.00350 188 3S 0.00000 0.00129 -0.03506 -0.07274 -0.00063 189 4PX 0.00000 -0.00028 0.00406 0.00021 0.05447 190 4PY 0.00000 -0.00473 0.06849 0.00347 0.02349 191 4PZ 0.00000 -0.00025 0.00361 0.00017 0.00124 192 5PX 0.00000 -0.00014 0.00133 0.00022 0.05411 193 5PY 0.00000 -0.00239 0.02248 0.00355 0.00656 194 5PZ 0.00000 -0.00013 0.00118 0.00018 0.00035 181 182 183 184 185 181 4PY 0.65533 182 4PZ 0.00000 0.37002 183 5PX 0.00000 0.00000 0.02062 184 5PY 0.00390 0.00000 0.00000 0.02638 185 5PZ 0.00000 0.03525 0.00000 0.00000 0.02061 186 10 O 1S -0.00456 -0.00024 0.00002 0.00041 0.00002 187 2S 0.05912 0.00312 0.00003 0.00046 0.00004 188 3S -0.01062 -0.00056 0.00070 0.01168 0.00063 189 4PX 0.02349 0.00124 0.01068 -0.00006 0.00000 190 4PY 0.12592 0.02093 -0.00005 0.00134 -0.00005 191 4PZ 0.02094 0.05638 0.00000 -0.00005 0.01072 192 5PX 0.00656 0.00035 0.01026 0.00015 0.00001 193 5PY 0.00635 0.00584 0.00016 0.00234 0.00014 194 5PZ 0.00585 0.05510 0.00001 0.00014 0.01032 186 187 188 189 190 186 10 O 1S 2.11844 187 2S -0.07045 0.60124 188 3S -0.04591 0.41586 0.54779 189 4PX 0.00000 0.00000 0.00000 0.84432 190 4PY 0.00000 0.00000 0.00000 0.00000 0.84976 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.16636 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.08907 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 191 4PZ 0.84448 192 5PX 0.00000 0.13359 193 5PY 0.00000 0.00000 0.04797 194 5PZ 0.16696 0.00000 0.00000 0.13426 Gross orbital populations: 1 1 1 Cu 1S 1.99753 2 2S 0.58745 3 3S -0.60357 4 4PX 1.99532 5 4PY 1.99581 6 4PZ 1.99531 7 5PX 0.36802 8 5PY 0.36631 9 5PZ 0.37191 10 6PX -0.25257 11 6PY 0.09144 12 6PZ -0.26345 13 7D 0 1.65603 14 7D+1 1.66398 15 7D-1 1.60818 16 7D+2 1.62995 17 7D-2 1.61284 18 8D 0 0.30414 19 8D+1 0.30432 20 8D-1 0.31061 21 8D+2 0.30197 22 8D-2 0.31100 23 2 Cu 1S 2.00489 24 2S 0.71133 25 3S 0.36855 26 4PX 1.99433 27 4PY 1.99430 28 4PZ 1.99464 29 5PX 0.05319 30 5PY 0.03537 31 5PZ 0.04185 32 6PX 0.02861 33 6PY -0.03377 34 6PZ 0.00303 35 7D 0 1.65601 36 7D+1 1.64802 37 7D-1 1.65887 38 7D+2 1.64242 39 7D-2 1.64564 40 8D 0 0.32413 41 8D+1 0.32497 42 8D-1 0.32479 43 8D+2 0.32753 44 8D-2 0.32757 45 3 Cu 1S 2.00405 46 2S 0.63700 47 3S -0.05167 48 4PX 1.99474 49 4PY 1.99482 50 4PZ 1.99463 51 5PX 0.19965 52 5PY 0.23552 53 5PZ 0.10452 54 6PX 0.12847 55 6PY 0.04324 56 6PZ 0.04703 57 7D 0 1.64972 58 7D+1 1.65547 59 7D-1 1.64805 60 7D+2 1.63550 61 7D-2 1.63947 62 8D 0 0.31803 63 8D+1 0.31957 64 8D-1 0.31836 65 8D+2 0.32215 66 8D-2 0.32252 67 4 Cu 1S 2.00406 68 2S 0.63659 69 3S -0.05087 70 4PX 1.99445 71 4PY 1.99498 72 4PZ 1.99475 73 5PX 0.12689 74 5PY 0.31827 75 5PZ 0.09360 76 6PX 0.08935 77 6PY 0.10560 78 6PZ 0.02125 79 7D 0 1.65643 80 7D+1 1.65665 81 7D-1 1.64678 82 7D+2 1.63284 83 7D-2 1.63564 84 8D 0 0.31787 85 8D+1 0.31637 86 8D-1 0.32073 87 8D+2 0.32401 88 8D-2 0.32163 89 5 Cu 1S 2.00489 90 2S 0.71112 91 3S 0.36801 92 4PX 1.99496 93 4PY 1.99429 94 4PZ 1.99402 95 5PX 0.03094 96 5PY 0.03564 97 5PZ 0.06387 98 6PX 0.02618 99 6PY -0.05157 100 6PZ 0.02300 101 7D 0 1.63654 102 7D+1 1.65719 103 7D-1 1.64010 104 7D+2 1.65861 105 7D-2 1.65853 106 8D 0 0.32774 107 8D+1 0.32405 108 8D-1 0.32793 109 8D+2 0.32431 110 8D-2 0.32494 111 6 Cu 1S 2.00544 112 2S 0.75288 113 3S 0.12332 114 4PX 1.99476 115 4PY 1.99446 116 4PZ 1.99476 117 5PX 0.04533 118 5PY 0.05468 119 5PZ 0.04528 120 6PX 0.01750 121 6PY 0.04359 122 6PZ 0.01900 123 7D 0 1.65022 124 7D+1 1.66243 125 7D-1 1.64097 126 7D+2 1.64928 127 7D-2 1.63095 128 8D 0 0.32229 129 8D+1 0.32196 130 8D-1 0.32474 131 8D+2 0.32425 132 8D-2 0.32420 133 7 Cu 1S 2.00489 134 2S 0.71135 135 3S 0.36957 136 4PX 1.99427 137 4PY 1.99414 138 4PZ 1.99487 139 5PX 0.05495 140 5PY 0.04147 141 5PZ 0.03422 142 6PX -0.01221 143 6PY -0.00389 144 6PZ 0.01444 145 7D 0 1.65894 146 7D+1 1.65833 147 7D-1 1.65508 148 7D+2 1.63109 149 7D-2 1.64751 150 8D 0 0.32366 151 8D+1 0.32281 152 8D-1 0.32612 153 8D+2 0.32907 154 8D-2 0.32730 155 8 Cu 1S 2.00405 156 2S 0.63699 157 3S -0.05173 158 4PX 1.99485 159 4PY 1.99469 160 4PZ 1.99464 161 5PX 0.10591 162 5PY 0.20210 163 5PZ 0.23207 164 6PX 0.01920 165 6PY 0.01950 166 6PZ 0.17833 167 7D 0 1.64234 168 7D+1 1.64204 169 7D-1 1.63291 170 7D+2 1.65055 171 7D-2 1.66038 172 8D 0 0.32245 173 8D+1 0.31972 174 8D-1 0.32291 175 8D+2 0.31808 176 8D-2 0.31752 177 9 C 1S 1.99858 178 2S 0.88808 179 3S 0.64254 180 4PX 0.57779 181 4PY 0.92151 182 4PZ 0.57556 183 5PX 0.11056 184 5PY 0.05075 185 5PZ 0.11111 186 10 O 1S 1.99922 187 2S 0.98736 188 3S 0.84621 189 4PX 1.10367 190 4PY 1.16972 191 4PZ 1.10342 192 5PX 0.36741 193 5PY 0.17517 194 5PZ 0.36879 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.829611 -0.235748 -0.327182 -0.325285 -0.238021 0.040133 2 Cu -0.235748 19.015530 0.088743 0.057870 0.032410 0.016192 3 Cu -0.327182 0.088743 19.370631 -0.060067 0.056220 0.021225 4 Cu -0.325285 0.057870 -0.060067 19.365878 0.055155 0.021824 5 Cu -0.238021 0.032410 0.056220 0.055155 19.017862 0.015819 6 Cu 0.040133 0.016192 0.021225 0.021824 0.015819 18.795506 7 Cu -0.235204 0.034730 0.056524 0.087874 0.033363 0.016334 8 Cu -0.328316 0.054426 -0.059261 -0.059288 0.089464 0.019109 9 C 0.103999 0.027242 0.016537 0.016449 0.028126 -0.003942 10 O 0.068545 -0.015118 -0.002547 -0.002555 -0.015109 0.000087 7 8 9 10 1 Cu -0.235204 -0.328316 0.103999 0.068545 2 Cu 0.034730 0.054426 0.027242 -0.015118 3 Cu 0.056524 -0.059261 0.016537 -0.002547 4 Cu 0.087874 -0.059288 0.016449 -0.002555 5 Cu 0.033363 0.089464 0.028126 -0.015109 6 Cu 0.016334 0.019109 -0.003942 0.000087 7 Cu 19.015904 0.056470 0.027191 -0.015221 8 Cu 0.056470 19.372542 0.017058 -0.002676 9 C 0.027191 0.017058 5.103883 0.539934 10 O -0.015221 -0.002676 0.539934 7.565631 Mulliken atomic charges: 1 1 Cu 0.647469 2 Cu -0.076277 3 Cu -0.160822 4 Cu -0.157855 5 Cu -0.075290 6 Cu 0.057714 7 Cu -0.077965 8 Cu -0.159528 9 C 0.123523 10 O -0.120969 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.647469 2 Cu -0.076277 3 Cu -0.160822 4 Cu -0.157855 5 Cu -0.075290 6 Cu 0.057714 7 Cu -0.077965 8 Cu -0.159528 9 C 0.123523 10 O -0.120969 Sum of Mulliken charges= 0.00000 Electronic spatial extent (au): = 4274.4880 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.1595 Y= 0.6401 Z= -0.1522 Tot= 0.6770 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.6860 YY= -113.4917 ZZ= -113.5668 XY= -0.2173 XZ= 0.0292 YZ= 0.0204 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.1045 YY= 0.0899 ZZ= 0.0147 XY= -0.2173 XZ= 0.0292 YZ= 0.0204 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 24.0157 YYY= 332.3592 ZZZ= -24.1270 XYY= -9.8665 XXY= 87.7799 XXZ= -21.5999 XZZ= 12.3397 YZZ= 92.5604 YYZ= -27.6932 XYZ= 2.6931 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1201.8020 YYYY= -2969.0678 ZZZZ= -1184.0069 XXXY= 109.5404 XXXZ= -35.1592 YYYX= 193.8892 YYYZ= 227.1085 ZZZX= -17.6993 ZZZY= 123.9921 XXYY= -626.8939 XXZZ= -406.3201 YYZZ= -656.9396 XXYZ= 69.8242 YYXZ= -19.2901 ZZXY= 28.4805 N-N= 2.026201587575D+03 E-N=-8.163362192996D+03 KE= 1.132410830617D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.25759 29.12420 2 O -10.34264 15.96926 3 O -4.33863 2.68672 4 O -4.29930 2.68504 5 O -4.29905 2.68861 6 O -4.29895 2.68882 7 O -4.29158 2.68799 8 O -4.27393 2.68748 9 O -4.27376 2.68748 10 O -4.27375 2.68748 11 O -2.84997 5.08100 12 O -2.84231 5.08601 13 O -2.84226 5.08612 14 O -2.80919 5.06267 15 O -2.80784 5.08724 16 O -2.80774 5.08697 17 O -2.80668 5.07916 18 O -2.80627 5.08697 19 O -2.80617 5.08696 20 O -2.80462 5.08780 21 O -2.80451 5.08735 22 O -2.80398 5.09644 23 O -2.80123 5.08928 24 O -2.79737 5.09018 25 O -2.79737 5.09017 26 O -2.78367 5.08558 27 O -2.78351 5.08551 28 O -2.78349 5.08567 29 O -2.78163 5.08733 30 O -2.78146 5.08741 31 O -2.78144 5.08731 32 O -2.77881 5.09074 33 O -2.77865 5.09058 34 O -2.77863 5.09109 35 O -1.17386 2.84795 36 O -0.57789 2.48669 37 O -0.47216 2.01403 38 O -0.47212 2.01432 39 O -0.46624 2.33163 40 O -0.35044 3.24718 41 O -0.32759 8.20528 42 O -0.32756 8.20695 43 O -0.32535 7.08501 44 O -0.32131 8.74340 45 O -0.32126 8.74345 46 O -0.31797 6.95631 47 O -0.30627 8.28338 48 O -0.30607 8.28873 49 O -0.30086 8.47489 50 O -0.29870 8.84034 51 O -0.29868 8.83862 52 O -0.28733 8.67666 53 O -0.28726 8.67180 54 O -0.28428 7.53295 55 O -0.27714 9.14434 56 O -0.27669 8.97857 57 O -0.27656 8.97938 58 O -0.27108 9.21582 59 O -0.27097 9.21475 60 O -0.26925 8.94586 61 O -0.26784 9.34244 62 O -0.26779 9.34292 63 O -0.26668 9.20573 64 O -0.26666 9.20526 65 O -0.26101 9.44550 66 O -0.25591 9.16243 67 O -0.25590 9.16466 68 O -0.25345 9.31521 69 O -0.25241 8.81281 70 O -0.25175 8.89743 71 O -0.25101 9.39226 72 O -0.25094 9.38897 73 O -0.25053 9.47212 74 O -0.25042 9.46766 75 O -0.24888 9.32680 76 O -0.24876 9.35424 77 O -0.24866 8.89553 78 O -0.24563 9.70201 79 O -0.24195 9.58499 80 O -0.24183 9.58819 81 O -0.20052 1.99685 82 O -0.19998 1.98068 83 O -0.19815 2.52384 84 V -0.09017 0.97677 85 V -0.08917 1.60156 86 V -0.08892 1.59833 87 V -0.06385 1.16563 88 V -0.06338 1.16105 89 V -0.04242 1.00865 90 V -0.02217 0.39409 91 V -0.01978 0.88865 92 V -0.01941 0.89459 93 V -0.00872 0.45003 94 V -0.00857 0.44461 95 V 0.01949 0.48037 96 V 0.01964 0.48282 97 V 0.02592 0.37534 98 V 0.02707 0.30882 99 V 0.03348 0.46501 100 V 0.03850 0.37723 101 V 0.03855 0.37772 102 V 0.04170 0.36071 103 V 0.04187 0.35912 104 V 0.04860 0.52888 105 V 0.05465 0.43236 106 V 0.05741 0.43549 107 V 0.05766 0.43789 108 V 0.06813 0.40687 109 V 0.06844 0.40396 110 V 0.07373 0.24580 111 V 0.07380 0.24643 112 V 0.07714 0.31870 113 V 0.08134 0.32644 114 V 0.08266 0.22065 115 V 0.09228 0.52921 116 V 0.09234 0.53240 117 V 0.11232 0.46490 118 V 0.11381 0.99865 119 V 0.11951 0.56008 120 V 0.11958 0.56095 121 V 0.12456 0.59286 122 V 0.12493 0.58871 123 V 0.14508 0.47196 124 V 0.14600 0.47277 125 V 0.17272 0.88855 126 V 0.17291 0.89089 127 V 0.18796 1.43023 128 V 0.21806 1.02667 129 V 0.23868 1.30762 130 V 0.25642 1.56324 131 V 0.25735 1.45473 132 V 0.25835 0.97032 133 V 0.29422 1.13828 134 V 0.29461 1.13521 135 V 0.30284 1.33285 136 V 0.30327 1.39668 137 V 0.30450 1.45665 138 V 0.32190 1.70363 139 V 0.40185 1.49833 140 V 0.40213 1.50134 141 V 0.55001 2.93310 142 V 0.61387 4.51940 143 V 0.63276 4.27487 144 V 0.63371 4.26245 145 V 0.66867 2.57864 146 V 0.69228 4.35263 147 V 0.69362 4.35280 148 V 0.70538 3.85078 149 V 0.71037 3.98548 150 V 0.71154 3.99737 151 V 0.76904 3.45319 152 V 0.76961 3.45534 153 V 0.77082 4.46206 154 V 0.81594 4.68387 155 V 0.81609 4.68479 156 V 0.81756 3.94918 157 V 0.82590 4.39717 158 V 0.83651 4.20702 159 V 0.83936 4.19777 160 V 0.87184 4.21413 161 V 0.87197 4.21957 162 V 0.88261 3.90253 163 V 0.91797 3.99540 164 V 0.95976 4.16943 165 V 0.96007 4.17019 166 V 0.97255 4.27549 167 V 0.97361 4.26923 168 V 1.01136 4.19472 169 V 1.04197 4.37743 170 V 1.06311 4.38769 171 V 1.06625 4.38919 172 V 1.08916 4.49090 173 V 1.09009 4.48969 174 V 1.12217 4.57376 175 V 1.12337 4.56962 176 V 1.13675 4.50789 177 V 1.15275 3.65866 178 V 1.25134 4.58193 179 V 1.25441 4.59003 180 V 1.29930 4.61786 181 V 1.30397 4.63376 182 V 1.30564 4.63428 183 V 1.33886 4.60388 184 V 1.33925 4.60802 185 V 1.34902 4.15835 186 V 1.50905 2.90040 187 V 1.66033 3.92513 188 V 2.03182 2.00276 189 V 2.21981 2.17133 190 V 2.22373 2.17035 191 V 2.75159 1.39238 192 V 2.76346 1.40675 193 V 3.56793 1.76218 194 V 10.43626 2.80499 Total kinetic energy from orbitals= 1.132410830617D+03 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 13:39:29 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\11-Apr-2008\ 0\\#P B3LYP/LANL2DZ Opt nosymm Pop=Full Freq(Raman) Geom=AllCheck\\Cu8 CO03\\0,1\Cu,0.1789082957,-1.8222404713,0.3350730839\Cu,2.1376181626,- 1.5930051666,-1.230724791\Cu,0.8118014042,0.3396294582,-1.0087127152\C u,-1.6095016123,-0.1671834281,-0.639190991\Cu,0.3846468352,-1.13205064 37,2.7483280594\Cu,-0.7994783149,2.1949689512,-0.5610044537\Cu,-2.0635 007591,-2.4777438783,-0.6009880637\Cu,-0.1875724156,0.6053535475,1.265 6869921\C,0.6257950565,-3.6516564572,0.7534353279\O,0.8968939376,-4.76 53472918,1.0093705614\\Version=IA64L-G03RevE.01\HF=-1682.7215347\RMSD= 7.436e-09\RMSF=2.552e-05\Thermal=0.\Dipole=-0.0627504,0.2518425,-0.059 8817\PG=C01 [X(C1Cu8O1)]\\@ ALMOST ANYTHING IS EASIER TO GET INTO THAN OUT OF. -- AGNES ALLEN'S LAW FROM PAUL DICKSON'S "THE OFFICIAL RULES" Leave Link 9999 at Fri Apr 11 13:39:29 2008, MaxMem= 1258291200 cpu: 0.1 Job cpu time: 0 days 0 hours 1 minutes 50.0 seconds. File lengths (MBytes): RWF= 29 Int= 0 D2E= 0 Chk= 16 Scr= 1 Normal termination of Gaussian 03 at Fri Apr 11 13:39:29 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 Fri Apr 11 13:39:30 2008, MaxMem= 1258291200 cpu: 0.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l101.exe) ------- Cu8CO03 ------- Redundant internal coordinates taken from checkpoint file: Cu8CO03.chk Charge = 0 Multiplicity = 1 Cu,0,0.1789082957,-1.8222404713,0.3350730839 Cu,0,2.1376181626,-1.5930051666,-1.230724791 Cu,0,0.8118014042,0.3396294582,-1.0087127152 Cu,0,-1.6095016123,-0.1671834281,-0.639190991 Cu,0,0.3846468352,-1.1320506437,2.7483280594 Cu,0,-0.7994783149,2.1949689512,-0.5610044537 Cu,0,-2.0635007591,-2.4777438783,-0.6009880637 Cu,0,-0.1875724156,0.6053535475,1.2656869921 C,0,0.6257950565,-3.6516564572,0.7534353279 O,0,0.8968939376,-4.7653472918,1.0093705614 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 Fri Apr 11 13:39:30 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 2.5181 calculate D2E/DX2 analytically ! ! R2 R(1,3) 2.623 calculate D2E/DX2 analytically ! ! R3 R(1,4) 2.6243 calculate D2E/DX2 analytically ! ! R4 R(1,5) 2.5184 calculate D2E/DX2 analytically ! ! R5 R(1,6) 4.2306 calculate D2E/DX2 analytically ! ! R6 R(1,7) 2.5168 calculate D2E/DX2 analytically ! ! R7 R(1,8) 2.6256 calculate D2E/DX2 analytically ! ! R8 R(2,3) 2.3542 calculate D2E/DX2 analytically ! ! R9 R(2,9) 3.2343 calculate D2E/DX2 analytically ! ! R10 R(3,4) 2.5012 calculate D2E/DX2 analytically ! ! R11 R(3,6) 2.4978 calculate D2E/DX2 analytically ! ! R12 R(3,8) 2.4984 calculate D2E/DX2 analytically ! ! R13 R(4,6) 2.4984 calculate D2E/DX2 analytically ! ! R14 R(4,7) 2.3551 calculate D2E/DX2 analytically ! ! R15 R(4,8) 2.4995 calculate D2E/DX2 analytically ! ! R16 R(5,8) 2.3546 calculate D2E/DX2 analytically ! ! R17 R(5,9) 3.2228 calculate D2E/DX2 analytically ! ! R18 R(6,8) 2.4976 calculate D2E/DX2 analytically ! ! R19 R(7,9) 3.2318 calculate D2E/DX2 analytically ! ! R20 R(9,10) 1.1744 calculate D2E/DX2 analytically ! ! A1 A(2,1,4) 103.9948 calculate D2E/DX2 analytically ! ! A2 A(2,1,5) 120.4878 calculate D2E/DX2 analytically ! ! A3 A(2,1,6) 87.8073 calculate D2E/DX2 analytically ! ! A4 A(2,1,7) 119.0445 calculate D2E/DX2 analytically ! ! A5 A(2,1,8) 104.1702 calculate D2E/DX2 analytically ! ! A6 A(3,1,5) 104.2013 calculate D2E/DX2 analytically ! ! A7 A(3,1,7) 103.8337 calculate D2E/DX2 analytically ! ! A8 A(4,1,5) 103.8028 calculate D2E/DX2 analytically ! ! A9 A(5,1,6) 87.8007 calculate D2E/DX2 analytically ! ! A10 A(5,1,7) 120.0369 calculate D2E/DX2 analytically ! ! A11 A(6,1,7) 87.8501 calculate D2E/DX2 analytically ! ! A12 A(7,1,8) 104.3755 calculate D2E/DX2 analytically ! ! A13 A(1,2,9) 36.581 calculate D2E/DX2 analytically ! ! A14 A(3,2,9) 101.6207 calculate D2E/DX2 analytically ! ! A15 A(2,3,4) 113.127 calculate D2E/DX2 analytically ! ! A16 A(2,3,6) 171.8844 calculate D2E/DX2 analytically ! ! A17 A(2,3,8) 113.48 calculate D2E/DX2 analytically ! ! A18 A(3,4,7) 112.8184 calculate D2E/DX2 analytically ! ! A19 A(6,4,7) 171.7286 calculate D2E/DX2 analytically ! ! A20 A(7,4,8) 113.6126 calculate D2E/DX2 analytically ! ! A21 A(1,5,9) 36.7456 calculate D2E/DX2 analytically ! ! A22 A(8,5,9) 101.8468 calculate D2E/DX2 analytically ! ! A23 A(1,7,9) 36.6146 calculate D2E/DX2 analytically ! ! A24 A(4,7,9) 101.6981 calculate D2E/DX2 analytically ! ! A25 A(3,8,5) 113.4234 calculate D2E/DX2 analytically ! ! A26 A(4,8,5) 112.9592 calculate D2E/DX2 analytically ! ! A27 A(5,8,6) 171.763 calculate D2E/DX2 analytically ! ! A28 A(2,9,5) 85.244 calculate D2E/DX2 analytically ! ! A29 A(2,9,7) 84.2991 calculate D2E/DX2 analytically ! ! A30 A(2,9,10) 129.0042 calculate D2E/DX2 analytically ! ! A31 A(5,9,7) 85.0187 calculate D2E/DX2 analytically ! ! A32 A(5,9,10) 128.591 calculate D2E/DX2 analytically ! ! A33 A(7,9,10) 128.892 calculate D2E/DX2 analytically ! ! D1 D(4,1,2,9) -150.8086 calculate D2E/DX2 analytically ! ! D2 D(5,1,2,9) 93.5927 calculate D2E/DX2 analytically ! ! D3 D(6,1,2,9) 179.7447 calculate D2E/DX2 analytically ! ! D4 D(7,1,2,9) -93.9364 calculate D2E/DX2 analytically ! ! D5 D(8,1,2,9) 150.3983 calculate D2E/DX2 analytically ! ! D6 D(2,1,5,9) -93.8489 calculate D2E/DX2 analytically ! ! D7 D(3,1,5,9) -150.6997 calculate D2E/DX2 analytically ! ! D8 D(4,1,5,9) 150.4534 calculate D2E/DX2 analytically ! ! D9 D(6,1,5,9) 179.9953 calculate D2E/DX2 analytically ! ! D10 D(7,1,5,9) 93.7549 calculate D2E/DX2 analytically ! ! D11 D(2,1,7,9) 93.9675 calculate D2E/DX2 analytically ! ! D12 D(3,1,7,9) 150.7366 calculate D2E/DX2 analytically ! ! D13 D(5,1,7,9) -93.5268 calculate D2E/DX2 analytically ! ! D14 D(6,1,7,9) -179.7387 calculate D2E/DX2 analytically ! ! D15 D(8,1,7,9) -150.4762 calculate D2E/DX2 analytically ! ! D16 D(9,2,3,4) -33.4917 calculate D2E/DX2 analytically ! ! D17 D(9,2,3,6) -2.7693 calculate D2E/DX2 analytically ! ! D18 D(9,2,3,8) 32.4648 calculate D2E/DX2 analytically ! ! D19 D(1,2,9,5) -42.4079 calculate D2E/DX2 analytically ! ! D20 D(1,2,9,7) 43.0461 calculate D2E/DX2 analytically ! ! D21 D(1,2,9,10) -179.9745 calculate D2E/DX2 analytically ! ! D22 D(3,2,9,5) -41.9797 calculate D2E/DX2 analytically ! ! D23 D(3,2,9,7) 43.4744 calculate D2E/DX2 analytically ! ! D24 D(3,2,9,10) -179.5462 calculate D2E/DX2 analytically ! ! D25 D(2,3,4,7) -0.2963 calculate D2E/DX2 analytically ! ! D26 D(2,3,8,5) -0.1514 calculate D2E/DX2 analytically ! ! D27 D(3,4,7,9) 33.9583 calculate D2E/DX2 analytically ! ! D28 D(6,4,7,9) 5.9121 calculate D2E/DX2 analytically ! ! D29 D(8,4,7,9) -31.9005 calculate D2E/DX2 analytically ! ! D30 D(7,4,8,5) -1.0722 calculate D2E/DX2 analytically ! ! D31 D(9,5,8,3) -32.4076 calculate D2E/DX2 analytically ! ! D32 D(9,5,8,4) 33.5647 calculate D2E/DX2 analytically ! ! D33 D(9,5,8,6) 3.3536 calculate D2E/DX2 analytically ! ! D34 D(1,5,9,2) 42.1999 calculate D2E/DX2 analytically ! ! D35 D(1,5,9,7) -42.4751 calculate D2E/DX2 analytically ! ! D36 D(1,5,9,10) -179.9315 calculate D2E/DX2 analytically ! ! D37 D(8,5,9,2) 41.954 calculate D2E/DX2 analytically ! ! D38 D(8,5,9,7) -42.721 calculate D2E/DX2 analytically ! ! D39 D(8,5,9,10) 179.8227 calculate D2E/DX2 analytically ! ! D40 D(1,7,9,2) -43.0315 calculate D2E/DX2 analytically ! ! D41 D(1,7,9,5) 42.6708 calculate D2E/DX2 analytically ! ! D42 D(1,7,9,10) 179.9046 calculate D2E/DX2 analytically ! ! D43 D(4,7,9,2) -43.7035 calculate D2E/DX2 analytically ! ! D44 D(4,7,9,5) 41.9987 calculate D2E/DX2 analytically ! ! D45 D(4,7,9,10) 179.2326 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 Fri Apr 11 13:39:31 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 Fri Apr 11 13:39:31 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 0.178908 -1.822240 0.335073 2 29 0 2.137618 -1.593005 -1.230725 3 29 0 0.811801 0.339629 -1.008713 4 29 0 -1.609502 -0.167183 -0.639191 5 29 0 0.384647 -1.132051 2.748328 6 29 0 -0.799478 2.194969 -0.561004 7 29 0 -2.063501 -2.477744 -0.600988 8 29 0 -0.187572 0.605354 1.265687 9 6 0 0.625795 -3.651656 0.753435 10 8 0 0.896894 -4.765347 1.009371 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.518098 0.000000 3 Cu 2.622975 2.354178 0.000000 4 Cu 2.624274 4.052627 2.501222 0.000000 5 Cu 2.518430 4.372442 4.057543 4.047577 0.000000 6 Cu 4.230623 4.839815 2.497789 2.498402 4.839720 7 Cu 2.516802 4.339209 4.046133 2.355051 4.361449 8 Cu 2.625560 4.058493 2.498450 2.499451 2.354619 9 C 1.929118 3.234277 4.366936 4.367781 3.222757 10 O 3.103556 4.076908 5.490054 5.490254 4.060445 6 7 8 9 10 6 Cu 0.000000 7 Cu 4.840826 0.000000 8 Cu 2.497620 4.063136 0.000000 9 C 6.159723 3.231849 4.364184 0.000000 10 O 7.334150 4.073122 5.485088 1.174438 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): 0.3181976 0.2209847 0.2200011 Leave Link 202 at Fri Apr 11 13:39:31 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2026.2015875753 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 Fri Apr 11 13:39:32 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= 2751 LenP2D= 11243. 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= 617 NPtTot= 106390 NUsed= 110750 NTot= 110782 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 13:39:35 2008, MaxMem= 1258291200 cpu: 8.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Fri Apr 11 13:39:36 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the checkpoint file: Cu8CO03.chk Guess basis will be translated and rotated to current coordinates. Leave Link 401 at Fri Apr 11 13:39:36 2008, MaxMem= 1258291200 cpu: 0.3 (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. 110749 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234396. IEnd= 284432 IEndB= 284432 NGot=1258291200 MDV=1012634615 LenX=1012634615 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= -1682.72153466483 DIIS: error= 1.50D-08 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.72153466483 IErMin= 1 ErrMin= 1.50D-08 ErrMax= 1.50D-08 EMaxC= 1.00D-01 BMatC= 6.31D-14 BMatP= 6.31D-14 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.100D+01 Coeff: 0.100D+01 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=8.29D-09 MaxDP=1.52D-07 OVMax= 2.42D-07 SCF Done: E(RB+HF-LYP) = -1682.72153466 A.U. after 1 cycles Convg = 0.8286D-08 -V/T = 2.4860 S**2 = 0.0000 KE= 1.132410836317D+03 PE=-8.163362198696D+03 EE= 3.322028240139D+03 Leave Link 502 at Fri Apr 11 13:39:55 2008, MaxMem= 1258291200 cpu: 46.4 (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 0.16806527D+02 Leave Link 801 at Fri Apr 11 13:39:55 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= 2751 LenP2D= 11243. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 13:40:04 2008, MaxMem= 1258291200 cpu: 20.0 (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 Fri Apr 11 13:40:05 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 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 Fri Apr 11 13:41:36 2008, MaxMem= 1258291200 cpu: 255.5 (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. 17 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 1 vectors were produced by pass 10. Inv2: IOpt= 1 Iter= 1 AM= 2.85D-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 305.04 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 13:44:37 2008, MaxMem= 1258291200 cpu: 626.0 (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 -- -19.25759 -10.34264 -4.33863 -4.29930 -4.29905 Alpha occ. eigenvalues -- -4.29895 -4.29158 -4.27393 -4.27376 -4.27375 Alpha occ. eigenvalues -- -2.84997 -2.84231 -2.84226 -2.80919 -2.80784 Alpha occ. eigenvalues -- -2.80774 -2.80668 -2.80627 -2.80617 -2.80462 Alpha occ. eigenvalues -- -2.80451 -2.80398 -2.80123 -2.79737 -2.79737 Alpha occ. eigenvalues -- -2.78367 -2.78351 -2.78349 -2.78163 -2.78146 Alpha occ. eigenvalues -- -2.78144 -2.77881 -2.77865 -2.77863 -1.17386 Alpha occ. eigenvalues -- -0.57789 -0.47216 -0.47212 -0.46624 -0.35044 Alpha occ. eigenvalues -- -0.32759 -0.32756 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Alpha virt. eigenvalues -- 2.21981 2.22373 2.75159 2.76346 3.56793 Alpha virt. eigenvalues -- 10.43626 Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.25759 -10.34264 -4.33863 -4.29930 -4.29905 1 1 Cu 1S 0.00048 0.00141 0.99871 -0.00336 -0.00101 2 2S 0.00064 0.00227 0.00325 -0.00209 -0.00062 3 3S 0.00096 0.01078 0.01654 -0.00119 -0.00025 4 4PX 0.00001 0.00001 0.00008 0.00002 0.00000 5 4PY -0.00004 -0.00005 -0.00033 -0.00010 -0.00002 6 4PZ 0.00001 0.00001 0.00008 0.00001 0.00005 7 5PX -0.00007 0.00221 -0.00233 -0.00035 -0.00047 8 5PY 0.00028 -0.00917 0.00944 0.00043 0.00053 9 5PZ -0.00006 0.00203 -0.00219 -0.00079 0.00186 10 6PX -0.00077 -0.00094 0.00066 0.00020 -0.00030 11 6PY 0.00323 0.00348 -0.00302 -0.00222 -0.00025 12 6PZ -0.00072 -0.00095 0.00058 -0.00035 0.00229 13 7D 0 -0.00001 0.00001 -0.00067 0.00000 0.00000 14 7D+1 0.00000 0.00000 0.00014 0.00000 0.00000 15 7D-1 -0.00001 0.00001 -0.00056 0.00000 0.00001 16 7D+2 -0.00002 0.00002 -0.00116 0.00000 0.00000 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0.48672 0.07659 18 8D 0 -0.02043 0.02935 0.08925 -0.13807 0.17350 19 8D+1 0.02116 -0.12603 -0.01432 0.13713 0.15476 20 8D-1 0.21517 0.03725 0.06712 0.03105 -0.02343 21 8D+2 -0.05144 -0.12519 0.13752 0.00583 -0.09241 22 8D-2 -0.07582 0.14753 0.06858 0.15795 0.02546 23 2 Cu 1S 0.00300 -0.00219 -0.00161 -0.00035 -0.00040 24 2S -0.04838 0.03558 0.09427 -0.03004 -0.04891 25 3S -0.03358 0.02519 0.09176 -0.07520 -0.11023 26 4PX -0.01020 0.00838 0.01632 -0.00879 -0.00638 27 4PY 0.00931 -0.00613 -0.00203 -0.00290 -0.00013 28 4PZ 0.00486 -0.00251 -0.01118 0.00010 0.01027 29 5PX 0.02047 -0.01914 -0.04387 0.02841 0.01492 30 5PY -0.01974 0.01175 -0.00309 0.01203 0.00280 31 5PZ -0.01165 0.00369 0.03308 0.00304 -0.03312 32 6PX -0.00972 0.02626 0.00558 -0.01846 -0.00183 33 6PY 0.03668 -0.01577 0.02738 -0.01472 -0.00571 34 6PZ 0.01304 0.01602 -0.01471 -0.00771 0.02243 35 7D 0 0.02443 -0.03847 -0.00963 0.06075 -0.04565 36 7D+1 0.06075 -0.04837 -0.09976 0.03501 0.11326 37 7D-1 -0.04973 0.04840 0.00464 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-0.01250 -0.05531 0.01166 -0.03225 98 6PX -0.00041 0.02917 -0.00535 -0.02133 -0.01114 99 6PY -0.03625 -0.01005 0.03079 -0.01199 0.01119 100 6PZ 0.02449 0.00641 0.00961 -0.00373 0.01512 101 7D 0 0.11493 0.04954 0.12016 -0.01797 0.09511 102 7D+1 0.04369 0.03188 0.02998 -0.09535 -0.03126 103 7D-1 -0.09199 -0.04123 0.01548 -0.05080 0.05582 104 7D+2 0.00834 -0.00481 -0.01288 0.00415 -0.04160 105 7D-2 -0.02160 0.01319 -0.00428 -0.00100 -0.00792 106 8D 0 0.04266 0.01832 0.04249 -0.00462 0.03240 107 8D+1 0.01624 0.01203 0.01040 -0.03706 -0.01329 108 8D-1 -0.03420 -0.01551 0.00522 -0.01899 0.02015 109 8D+2 0.00290 -0.00242 -0.00285 0.00156 -0.01569 110 8D-2 -0.00870 0.00591 -0.00083 -0.00076 -0.00330 111 6 Cu 1S -0.00004 0.00002 0.00383 0.00008 -0.00010 112 2S -0.00130 -0.00020 0.04198 0.00144 -0.00151 113 3S -0.00126 0.00074 0.11585 0.00466 -0.00571 114 4PX 0.00208 -0.00611 -0.00096 0.00256 0.00097 115 4PY -0.00112 -0.00193 0.00393 0.00102 -0.00058 116 4PZ -0.00614 -0.00167 -0.00105 0.00080 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2S 0.08436 0.03794 0.02158 0.00076 -0.00083 157 3S 0.15168 0.06725 -0.08081 0.03585 -0.07067 158 4PX -0.00017 -0.00743 -0.00242 -0.00601 -0.00324 159 4PY 0.01508 0.00526 0.00402 -0.00109 -0.00107 160 4PZ 0.00003 0.00105 -0.01129 0.00209 -0.00210 161 5PX 0.00285 0.00209 0.00672 0.01180 0.00583 162 5PY -0.04656 -0.02080 -0.00972 -0.00416 0.01331 163 5PZ -0.04273 -0.01895 0.03116 -0.01080 0.01804 164 6PX -0.01055 -0.01122 -0.00633 -0.01043 -0.03176 165 6PY 0.05394 0.02178 -0.00025 -0.04451 0.07562 166 6PZ -0.01234 -0.00405 -0.04834 0.02123 -0.03185 167 7D 0 -0.09867 -0.02350 -0.16184 0.00882 0.00308 168 7D+1 0.04031 -0.06601 0.00503 -0.04633 0.00226 169 7D-1 -0.03171 -0.02121 -0.18102 0.04249 -0.05945 170 7D+2 -0.16157 -0.05392 -0.04949 0.06808 -0.00925 171 7D-2 -0.04406 -0.09487 -0.04815 -0.12028 -0.08985 172 8D 0 -0.03308 -0.00791 -0.05838 0.00294 0.00088 173 8D+1 0.01379 -0.02203 0.00117 -0.01572 0.00122 174 8D-1 -0.01086 -0.00696 -0.06361 0.01565 -0.02115 175 8D+2 -0.05578 -0.01805 -0.01647 0.02508 -0.00309 176 8D-2 -0.01473 -0.03346 -0.01648 -0.04418 -0.03274 177 9 C 1S 0.00009 -0.00004 -0.01359 -0.00047 0.00055 178 2S -0.00024 0.00002 0.02621 0.00110 -0.00125 179 3S 0.00003 0.00058 0.06994 0.00112 -0.00160 180 4PX 0.00999 -0.02956 -0.01109 -0.01946 -0.00661 181 4PY -0.00484 -0.00896 0.04765 -0.00444 0.00086 182 4PZ -0.03015 -0.00846 -0.01038 -0.00641 0.01978 183 5PX 0.01075 -0.03210 -0.00184 -0.01304 -0.00488 184 5PY -0.00467 -0.00974 0.00933 -0.00436 0.00200 185 5PZ -0.03289 -0.00921 -0.00194 -0.00397 0.01314 186 10 O 1S -0.00002 0.00001 0.00279 0.00009 -0.00010 187 2S 0.00004 -0.00006 -0.01012 -0.00028 0.00033 188 3S 0.00012 -0.00001 -0.00614 -0.00026 0.00032 189 4PX -0.03065 0.09102 0.01038 0.05651 0.02036 190 4PY 0.01426 0.02785 -0.04862 0.01641 -0.00645 191 4PZ 0.09317 0.02601 0.00924 0.01818 -0.05738 192 5PX -0.01873 0.05568 0.00344 0.03030 0.01104 193 5PY 0.00858 0.01707 -0.01762 0.00915 -0.00384 194 5PZ 0.05699 0.01591 0.00304 0.00964 -0.03069 46 47 48 49 50 O O O O O EIGENVALUES -- -0.31797 -0.30627 -0.30607 -0.30086 -0.29870 1 1 Cu 1S -0.00056 0.00000 -0.00001 -0.00181 0.00003 2 2S 0.15297 0.00002 0.00023 0.04646 -0.00108 3 3S 0.19137 -0.00031 -0.00087 -0.09545 0.00016 4 4PX 0.01229 0.00191 -0.00025 -0.00603 0.00155 5 4PY -0.04993 0.00072 0.00104 0.02496 0.00008 6 4PZ 0.01152 -0.00010 0.00191 -0.00569 0.00103 7 5PX -0.06062 0.01756 -0.00029 0.02608 -0.00411 8 5PY 0.24848 0.00290 0.00045 -0.10906 0.00036 9 5PZ -0.05601 0.00064 0.01709 0.02426 -0.00258 10 6PX 0.00585 0.08086 -0.00214 0.01961 -0.08210 11 6PY -0.01216 0.01941 0.01791 -0.08778 -0.02987 12 6PZ 0.01007 -0.00181 0.08323 0.01395 -0.05104 13 7D 0 -0.01050 0.05737 0.08152 0.18157 0.09550 14 7D+1 0.00226 -0.15918 0.03575 -0.03622 -0.11256 15 7D-1 -0.00854 -0.02292 0.14267 0.14618 0.03587 16 7D+2 -0.00802 -0.06506 -0.08839 0.30626 -0.09721 17 7D-2 -0.00263 0.05212 -0.03017 0.15874 -0.00233 18 8D 0 -0.00529 0.01764 0.02429 0.05747 0.02911 19 8D+1 0.00111 -0.04927 0.01052 -0.01147 -0.03472 20 8D-1 -0.00433 -0.00712 0.04558 0.04628 0.01126 21 8D+2 -0.00594 -0.02083 -0.02738 0.09691 -0.03019 22 8D-2 -0.00259 0.01775 -0.00939 0.05024 -0.00024 23 2 Cu 1S -0.00386 0.00017 -0.00011 0.00106 0.00030 24 2S 0.02955 -0.03656 0.02937 0.00367 -0.01128 25 3S 0.00669 -0.08727 0.06883 0.02924 -0.02765 26 4PX 0.00695 -0.00479 0.00187 -0.00117 0.00048 27 4PY 0.00137 0.00818 -0.00742 0.00770 0.00371 28 4PZ -0.00578 -0.00183 -0.00115 -0.00207 0.00311 29 5PX -0.00629 0.02342 -0.00971 -0.00264 -0.00609 30 5PY -0.01551 -0.02867 0.02712 0.00042 -0.00909 31 5PZ 0.01101 0.00338 0.00853 0.00117 -0.01608 32 6PX 0.00509 -0.00123 -0.01508 0.00043 0.00854 33 6PY 0.00440 0.01663 -0.02160 0.02611 -0.00148 34 6PZ -0.00714 -0.02375 -0.00334 -0.00933 0.02573 35 7D 0 0.02338 0.04778 -0.06336 0.07328 0.01291 36 7D+1 -0.06946 -0.04304 0.00441 -0.03333 0.02306 37 7D-1 0.04106 0.03138 0.03945 -0.08595 -0.05502 38 7D+2 0.09685 0.05490 -0.08685 0.02742 0.06072 39 7D-2 -0.00057 0.10706 -0.03712 0.16042 0.03297 40 8D 0 0.00732 0.01555 -0.02316 0.02414 0.00396 41 8D+1 -0.02479 -0.01464 0.00074 -0.00990 0.00895 42 8D-1 0.01266 0.01264 0.01426 -0.02929 -0.02027 43 8D+2 0.03196 0.01891 -0.03080 0.00768 0.02116 44 8D-2 -0.00032 0.03746 -0.01124 0.05347 0.01030 45 3 Cu 1S -0.00510 -0.00270 0.00222 0.00180 0.00020 46 2S 0.06424 -0.07788 0.06094 -0.02707 0.00217 47 3S -0.03705 -0.04666 0.03694 0.08834 0.05072 48 4PX 0.00254 0.00085 0.00815 0.00348 -0.00189 49 4PY 0.02139 0.00477 0.00087 -0.00219 -0.00353 50 4PZ -0.01040 0.00738 0.00618 -0.00234 -0.00869 51 5PX 0.00126 0.03316 -0.04112 -0.02469 -0.00811 52 5PY 0.00914 -0.03289 0.01729 0.00619 0.00285 53 5PZ -0.00472 -0.02896 0.00190 0.01672 0.02066 54 6PX -0.00006 -0.00491 0.00880 -0.02864 0.00777 55 6PY 0.03749 -0.01067 0.01325 0.01136 -0.07758 56 6PZ -0.01600 0.01288 -0.00294 0.01514 -0.02950 57 7D 0 0.06635 -0.03910 -0.23557 0.15282 0.40367 58 7D+1 -0.03392 0.11936 0.10251 -0.12465 -0.12220 59 7D-1 -0.25581 -0.23698 -0.06898 0.06819 0.09395 60 7D+2 -0.11231 0.13733 0.20709 0.24893 -0.13800 61 7D-2 0.27379 0.19832 -0.18340 0.14575 0.00177 62 8D 0 0.02259 -0.01272 -0.07838 0.05080 0.13280 63 8D+1 -0.01085 0.04192 0.03440 -0.04327 -0.04123 64 8D-1 -0.08505 -0.08152 -0.02479 0.02121 0.03277 65 8D+2 -0.03710 0.04597 0.07174 0.08275 -0.04581 66 8D-2 0.09172 0.06581 -0.06304 0.04948 0.00180 67 4 Cu 1S -0.00510 0.00324 0.00133 0.00177 -0.00066 68 2S 0.06451 0.09202 0.03564 -0.02765 -0.00163 69 3S -0.03715 0.05444 0.02632 0.08622 -0.14749 70 4PX -0.01356 -0.00116 -0.00576 -0.00278 0.00910 71 4PY 0.01800 -0.00498 -0.00080 -0.00345 0.00610 72 4PZ -0.00791 -0.00485 0.01003 -0.00130 0.00171 73 5PX -0.00602 0.03204 0.02227 0.02320 -0.04929 74 5PY 0.00781 0.05254 0.01742 0.01610 -0.01754 75 5PZ -0.00377 0.01670 -0.01390 0.00907 -0.01726 76 6PX -0.02014 -0.01519 -0.00977 0.02487 0.00586 77 6PY 0.03281 0.01274 -0.00322 0.02358 0.20032 78 6PZ -0.01209 -0.01080 0.00352 0.00687 -0.02731 79 7D 0 0.01568 -0.05731 -0.14054 0.09954 -0.15823 80 7D+1 0.12834 0.03314 -0.19614 0.05943 0.03951 81 7D-1 -0.12093 0.16644 -0.25531 0.10846 -0.03311 82 7D+2 0.17295 -0.23529 0.05125 0.29066 -0.38335 83 7D-2 -0.30918 0.17153 0.18014 0.12146 0.03001 84 8D 0 0.00587 -0.02007 -0.04640 0.03212 -0.05278 85 8D+1 0.04240 0.01166 -0.06531 0.02148 0.01270 86 8D-1 -0.04015 0.05771 -0.08842 0.03565 -0.01148 87 8D+2 0.05808 -0.07810 0.01769 0.09800 -0.12828 88 8D-2 -0.10312 0.05855 0.06244 0.03966 0.00838 89 5 Cu 1S -0.00380 0.00005 0.00022 0.00105 0.00054 90 2S 0.02779 -0.00722 -0.04647 0.00368 -0.02133 91 3S 0.00462 -0.01969 -0.10748 0.02738 -0.05013 92 4PX 0.00057 -0.00302 -0.00256 -0.00175 0.00160 93 4PY 0.00317 0.00120 0.01060 0.00789 0.00506 94 4PZ 0.00825 -0.00045 -0.00525 -0.00102 -0.00392 95 5PX 0.00255 0.01317 0.00942 -0.00053 -0.01243 96 5PY -0.01801 -0.00361 -0.03555 0.00029 -0.00796 97 5PZ -0.00809 0.00295 0.02655 -0.00260 0.01173 98 6PX -0.00132 -0.02240 -0.00146 -0.00470 0.02104 99 6PY 0.00932 -0.00099 0.03099 0.02484 -0.01443 100 6PZ 0.00803 0.00464 0.01158 0.00038 -0.01548 101 7D 0 0.10988 0.01333 0.05583 -0.00853 -0.00710 102 7D+1 0.01559 -0.01924 -0.02321 -0.04533 0.00981 103 7D-1 0.01908 0.00682 0.12704 0.19663 0.11507 104 7D+2 0.05394 -0.01895 0.08360 0.00776 0.06001 105 7D-2 0.02535 0.07591 0.04345 0.03384 -0.00020 106 8D 0 0.03754 0.00445 0.01932 -0.00474 -0.00371 107 8D+1 0.00550 -0.00612 -0.00801 -0.01540 0.00422 108 8D-1 0.00703 0.00189 0.04284 0.06525 0.03884 109 8D+2 0.01651 -0.00744 0.02995 0.00178 0.02031 110 8D-2 0.00790 0.02884 0.01483 0.01089 -0.00170 111 6 Cu 1S -0.00255 0.00001 0.00002 -0.00216 0.00003 112 2S -0.05748 0.00005 -0.00028 -0.08507 0.00183 113 3S -0.08239 0.00038 0.00004 -0.23061 0.00391 114 4PX 0.00336 0.01510 -0.00072 0.00213 0.00290 115 4PY -0.01352 0.00369 0.00326 -0.00887 0.00130 116 4PZ 0.00321 -0.00008 0.01521 0.00191 0.00177 117 5PX -0.01557 -0.02256 0.00105 -0.01372 -0.01500 118 5PY 0.06336 -0.00569 -0.00520 0.05578 -0.00685 119 5PZ -0.01455 0.00021 -0.02318 -0.01296 -0.00906 120 6PX 0.00793 0.02803 -0.00344 -0.00894 0.07657 121 6PY -0.03336 0.00754 0.00604 0.03947 0.02813 122 6PZ 0.00687 0.00131 0.02621 -0.00620 0.04687 123 7D 0 0.07624 0.01067 -0.12883 -0.04146 -0.15993 124 7D+1 -0.01647 -0.11179 -0.07971 0.00858 0.08171 125 7D-1 0.06551 -0.02686 0.37284 -0.03528 0.03609 126 7D+2 0.13127 -0.18844 -0.09284 -0.06290 0.01876 127 7D-2 0.06940 0.34785 -0.04321 -0.03390 0.13767 128 8D 0 0.02866 0.00535 -0.04034 -0.01571 -0.05444 129 8D+1 -0.00614 -0.04221 -0.02536 0.00324 0.02925 130 8D-1 0.02444 -0.00976 0.12812 -0.01332 0.01092 131 8D+2 0.04922 -0.06467 -0.03388 -0.02403 0.00833 132 8D-2 0.02596 0.11697 -0.01533 -0.01292 0.04491 133 7 Cu 1S -0.00388 -0.00017 -0.00004 0.00104 -0.00087 134 2S 0.03030 0.04363 0.01660 0.00368 0.03327 135 3S 0.00848 0.10536 0.03564 0.02848 0.07813 136 4PX -0.00837 -0.00009 0.00105 -0.00264 -0.00151 137 4PY -0.00195 -0.01110 -0.00430 0.00740 -0.00931 138 4PZ -0.00348 0.00217 -0.00173 -0.00190 0.00098 139 5PX 0.01521 0.00782 -0.00239 0.00230 0.01008 140 5PY -0.01083 0.04284 0.01643 0.00130 0.01450 141 5PZ 0.00790 -0.00562 0.00909 0.00052 -0.00041 142 6PX -0.00797 0.01717 0.01746 -0.01364 -0.02925 143 6PY 0.00114 -0.01733 -0.01007 0.02343 0.01458 144 6PZ -0.00494 0.01861 -0.01382 -0.00736 -0.00974 145 7D 0 -0.00230 -0.04686 -0.04288 0.04628 -0.07781 146 7D+1 0.02758 -0.01926 -0.01691 0.05828 -0.02847 147 7D-1 0.04641 -0.05141 0.05016 -0.02300 -0.01276 148 7D+2 0.07233 -0.14120 -0.05125 0.15784 -0.16208 149 7D-2 0.09141 0.00324 -0.03387 -0.09576 0.06216 150 8D 0 -0.00208 -0.01612 -0.01632 0.01557 -0.02601 151 8D+1 0.01070 -0.00549 -0.00656 0.01891 -0.00924 152 8D-1 0.01511 -0.01885 0.01894 -0.00841 -0.00386 153 8D+2 0.02433 -0.04850 -0.01718 0.05149 -0.05306 154 8D-2 0.03034 0.00072 -0.01302 -0.03330 0.02237 155 8 Cu 1S -0.00507 -0.00049 -0.00344 0.00188 0.00036 156 2S 0.06200 -0.01479 -0.09873 -0.02460 0.00229 157 3S -0.03931 -0.00582 -0.05864 0.09602 0.09183 158 4PX -0.00409 0.01165 -0.00293 0.00089 -0.00591 159 4PY 0.02285 0.00271 0.00179 -0.00130 -0.00186 160 4PZ 0.00452 -0.00242 -0.00466 0.00492 0.00791 161 5PX -0.00180 -0.01830 0.01742 -0.00489 0.00595 162 5PY 0.01031 -0.00883 -0.02561 0.00045 -0.00557 163 5PZ 0.00334 0.01172 0.05814 -0.03328 -0.03493 164 6PX -0.00864 0.00962 0.00018 -0.00411 -0.00075 165 6PY 0.04280 -0.00547 -0.01564 -0.00204 -0.11744 166 6PZ -0.00167 -0.00011 -0.01348 -0.02759 0.06599 167 7D 0 -0.13192 -0.11120 -0.09392 0.21340 0.11835 168 7D+1 -0.08697 0.33716 -0.14237 -0.02060 -0.39085 169 7D-1 0.34175 0.13983 0.27347 0.18862 0.12272 170 7D+2 -0.13642 0.11497 -0.00401 0.19851 0.10699 171 7D-2 -0.00294 -0.10979 0.07096 0.11638 0.03230 172 8D 0 -0.04425 -0.03787 -0.03346 0.07200 0.04019 173 8D+1 -0.02924 0.11397 -0.04836 -0.00677 -0.12920 174 8D-1 0.11421 0.04762 0.09160 0.06469 0.04055 175 8D+2 -0.04473 0.04001 -0.00208 0.06471 0.03547 176 8D-2 -0.00060 -0.04000 0.02403 0.03845 0.01272 177 9 C 1S 0.02389 -0.00014 -0.00036 -0.01774 0.00037 178 2S -0.06217 0.00035 0.00090 0.03608 -0.00078 179 3S -0.00880 0.00011 0.00041 0.05473 -0.00106 180 4PX 0.01869 -0.00702 0.00016 -0.01314 -0.00470 181 4PY -0.07721 -0.00122 -0.00030 0.05404 -0.00305 182 4PZ 0.01788 -0.00010 -0.00713 -0.01221 -0.00290 183 5PX -0.00528 -0.01651 0.00094 -0.00251 0.00394 184 5PY 0.02132 -0.00413 -0.00352 0.01114 0.00114 185 5PZ -0.00507 -0.00006 -0.01640 -0.00182 0.00224 186 10 O 1S -0.00290 0.00003 0.00006 0.00352 -0.00007 187 2S 0.00964 -0.00008 -0.00022 -0.01182 0.00025 188 3S 0.00379 -0.00005 0.00003 -0.00721 0.00007 189 4PX -0.01064 0.02092 -0.00109 0.01136 0.01014 190 4PY 0.04502 0.00472 0.00358 -0.04679 0.00501 191 4PZ -0.01061 0.00012 0.02100 0.01020 0.00649 192 5PX -0.00136 0.01618 -0.00094 0.00320 0.00399 193 5PY 0.00617 0.00387 0.00324 -0.01344 0.00188 194 5PZ -0.00155 0.00008 0.01613 0.00259 0.00266 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29868 -0.28733 -0.28726 -0.28428 -0.27714 1 1 Cu 1S -0.00003 -0.00001 -0.00004 0.00020 -0.00002 2 2S 0.00091 -0.00003 0.00050 0.00933 -0.00031 3 3S -0.00079 -0.00230 -0.00695 -0.21020 0.00053 4 4PX 0.00087 0.02379 -0.00127 0.00314 -0.00141 5 4PY 0.00028 0.00580 0.00514 -0.01374 0.00009 6 4PZ -0.00169 0.00004 0.02414 0.00256 0.00067 7 5PX -0.00203 -0.10866 0.00654 0.01930 0.00837 8 5PY -0.00130 -0.02734 -0.02540 -0.07350 0.00132 9 5PZ 0.00472 -0.00023 -0.10976 0.01984 -0.00456 10 6PX -0.05401 0.13155 -0.00908 -0.01295 0.00083 11 6PY 0.00456 0.03141 0.02433 0.06459 -0.00213 12 6PZ 0.08646 0.00250 0.13161 -0.00906 -0.00006 13 7D 0 -0.04553 -0.02971 -0.15709 -0.05464 -0.00053 14 7D+1 -0.12107 0.01684 -0.08883 0.01327 0.01373 15 7D-1 -0.10617 -0.00412 0.21224 -0.05140 0.01157 16 7D+2 0.05405 -0.11037 -0.01248 -0.09522 0.00475 17 7D-2 0.03790 0.25268 -0.01434 -0.05153 -0.00855 18 8D 0 -0.01371 -0.00810 -0.04597 -0.01816 -0.00017 19 8D+1 -0.03707 0.00270 -0.02610 0.00434 0.00413 20 8D-1 -0.03308 -0.00161 0.06567 -0.01693 0.00358 21 8D+2 0.01654 -0.03410 -0.00515 -0.03152 0.00153 22 8D-2 0.01204 0.07651 -0.00479 -0.01700 -0.00269 23 2 Cu 1S 0.00084 0.00298 -0.00246 -0.00259 0.00011 24 2S -0.03152 -0.04473 0.03679 0.01681 -0.00333 25 3S -0.07330 0.06182 -0.04561 0.03316 -0.00012 26 4PX -0.00553 -0.00399 0.00710 0.00103 -0.00239 27 4PY 0.00716 0.00239 0.00013 -0.00194 -0.00030 28 4PZ -0.00062 0.00630 -0.00007 -0.00012 -0.00332 29 5PX 0.01612 -0.01085 -0.00148 -0.00927 0.00839 30 5PY -0.00733 -0.00039 -0.00447 -0.00384 0.00538 31 5PZ 0.00013 -0.00233 -0.01051 0.00846 0.01096 32 6PX -0.01905 -0.00559 -0.01246 -0.00737 -0.00904 33 6PY -0.02451 0.03736 -0.03855 -0.02276 -0.00347 34 6PZ 0.01212 -0.03024 0.00084 0.01376 -0.01433 35 7D 0 0.08963 -0.02321 -0.07256 0.01425 0.05055 36 7D+1 -0.02124 0.08980 0.00380 0.04786 -0.10047 37 7D-1 -0.01975 -0.02702 -0.08383 0.04598 0.16650 38 7D+2 0.04378 0.06544 0.06868 0.01351 -0.12100 39 7D-2 0.15164 0.00999 -0.02388 -0.00890 0.08003 40 8D 0 0.02971 -0.00700 -0.02482 0.00488 0.01759 41 8D+1 -0.00650 0.03022 0.00228 0.01595 -0.03496 42 8D-1 -0.00663 -0.00909 -0.03010 0.01684 0.05812 43 8D+2 0.01269 0.02438 0.02267 0.00579 -0.04250 44 8D-2 0.05105 0.00304 -0.00903 -0.00372 0.02760 45 3 Cu 1S 0.00063 -0.00060 0.00042 -0.00448 0.00017 46 2S 0.00195 -0.04407 0.03807 0.12854 -0.00079 47 3S 0.14011 -0.10695 0.08967 0.10736 0.01053 48 4PX 0.01051 0.00127 0.00204 0.01104 -0.00101 49 4PY -0.00144 -0.00354 0.00439 0.00061 -0.00316 50 4PZ -0.00287 0.00355 0.00071 -0.00851 -0.00368 51 5PX -0.04436 0.02246 -0.01136 -0.02542 0.00422 52 5PY -0.00279 0.00441 0.00122 -0.01414 0.01713 53 5PZ 0.02827 -0.00896 0.01906 0.02429 0.02178 54 6PX 0.09214 -0.07069 0.07478 -0.00008 0.00021 55 6PY -0.16772 0.11995 -0.08516 0.00180 0.00141 56 6PZ 0.01909 0.02741 0.00656 -0.00183 0.00635 57 7D 0 0.06777 -0.18714 -0.30310 0.16724 0.04344 58 7D+1 0.03914 -0.03480 -0.07109 0.33319 0.16329 59 7D-1 -0.03310 0.19977 0.22890 0.17770 -0.31584 60 7D+2 0.27453 -0.03003 -0.10159 0.09601 0.18669 61 7D-2 0.31161 0.23727 0.21682 0.11586 -0.15708 62 8D 0 0.02333 -0.06041 -0.09813 0.05489 0.01298 63 8D+1 0.01230 -0.01110 -0.02552 0.11196 0.05335 64 8D-1 -0.01080 0.06824 0.07581 0.05784 -0.10282 65 8D+2 0.09282 -0.01120 -0.03539 0.02960 0.06115 66 8D-2 0.10290 0.07727 0.07223 0.03852 -0.05058 67 4 Cu 1S -0.00004 0.00070 0.00021 -0.00450 0.00001 68 2S -0.00057 0.05419 0.02290 0.12816 -0.00200 69 3S -0.02078 0.13013 0.05214 0.10661 -0.00738 70 4PX -0.00242 -0.00230 -0.00272 -0.01235 -0.00098 71 4PY 0.00182 0.00429 0.00214 -0.00427 0.00226 72 4PZ 0.00900 -0.00294 0.00255 -0.00482 0.00415 73 5PX -0.00200 0.02751 0.00692 0.03489 0.00494 74 5PY -0.00367 0.00714 0.00494 -0.00167 -0.01168 75 5PZ -0.01450 0.00653 0.01374 0.01451 -0.02191 76 6PX -0.01689 -0.02990 -0.02070 -0.00185 0.00083 77 6PY 0.03506 -0.16756 -0.05341 0.00027 -0.00010 78 6PZ 0.03737 -0.00546 0.02513 -0.00180 -0.00474 79 7D 0 -0.27037 0.06628 -0.30880 0.32912 -0.09601 80 7D+1 -0.29649 0.10265 -0.22696 -0.27521 0.00935 81 7D-1 -0.19050 -0.14073 0.32144 0.07503 0.38896 82 7D+2 0.12043 -0.09125 0.07460 0.05088 -0.03057 83 7D-2 0.04126 0.07594 -0.18531 -0.01738 -0.14268 84 8D 0 -0.08850 0.02066 -0.10088 0.10911 -0.03043 85 8D+1 -0.09751 0.03469 -0.07236 -0.09176 0.00394 86 8D-1 -0.06504 -0.04790 0.10824 0.02375 0.12677 87 8D+2 0.03950 -0.02834 0.02388 0.01529 -0.01043 88 8D-2 0.01436 0.02441 -0.06232 -0.00791 -0.04630 89 5 Cu 1S -0.00067 0.00056 0.00381 -0.00271 0.00002 90 2S 0.02618 -0.00823 -0.05679 0.01843 0.00130 91 3S 0.06181 0.01442 0.07715 0.02961 -0.00035 92 4PX 0.00419 0.00483 -0.00208 0.00069 0.00385 93 4PY -0.00493 0.00104 -0.00002 -0.00177 0.00041 94 4PZ 0.00392 -0.00202 -0.00888 0.00145 -0.00052 95 5PX -0.01500 -0.01307 0.00050 -0.00082 -0.01490 96 5PY 0.00350 -0.00223 0.00093 -0.00608 -0.00347 97 5PZ -0.00982 -0.00006 -0.00981 -0.01088 0.00243 98 6PX 0.01349 -0.02416 -0.00663 0.00360 0.01750 99 6PY 0.02623 0.00510 0.05714 -0.02379 0.00362 100 6PZ 0.01320 0.00533 0.00686 -0.00922 -0.00256 101 7D 0 -0.01095 -0.04067 -0.04351 -0.01913 -0.04491 102 7D+1 0.06425 0.12696 -0.03956 -0.00292 0.14595 103 7D-1 -0.11278 0.03456 -0.01326 -0.03673 0.05270 104 7D+2 -0.03294 0.05460 0.05282 0.05343 0.08627 105 7D-2 -0.06712 -0.05309 0.03428 0.01394 -0.17217 106 8D 0 -0.00265 -0.01363 -0.01289 -0.00538 -0.01573 107 8D+1 0.02257 0.04359 -0.01340 -0.00061 0.05125 108 8D-1 -0.03718 0.01210 -0.00416 -0.01336 0.01859 109 8D+2 -0.00976 0.01959 0.01947 0.01917 0.03014 110 8D-2 -0.02326 -0.01957 0.01268 0.00499 -0.05983 111 6 Cu 1S -0.00002 -0.00004 -0.00011 -0.00565 0.00008 112 2S -0.00139 0.00011 0.00024 0.06889 -0.00157 113 3S -0.00309 -0.00291 -0.00764 -0.10719 -0.00001 114 4PX 0.00207 -0.00083 0.00002 -0.00171 -0.00049 115 4PY -0.00028 -0.00019 -0.00017 0.00700 -0.00022 116 4PZ -0.00282 0.00002 -0.00089 -0.00155 0.00032 117 5PX -0.01049 0.02349 -0.00147 -0.00581 -0.00115 118 5PY 0.00171 0.00626 0.00663 0.02332 -0.00035 119 5PZ 0.01513 -0.00020 0.02392 -0.00581 0.00067 120 6PX 0.04982 -0.05529 0.00385 -0.00551 0.00014 121 6PY -0.00488 -0.01355 -0.01059 0.02179 -0.00030 122 6PZ -0.07962 -0.00092 -0.05382 -0.00513 0.00019 123 7D 0 0.12293 -0.09964 -0.20176 0.01518 -0.00405 124 7D+1 0.16325 0.23384 -0.10209 -0.00111 -0.01892 125 7D-1 -0.01779 0.03286 -0.06777 0.00904 0.00732 126 7D+2 -0.08054 0.02571 0.12176 0.00698 0.01157 127 7D-2 0.06300 0.08582 0.03287 0.00421 -0.02450 128 8D 0 0.04126 -0.03475 -0.06897 0.00609 -0.00137 129 8D+1 0.05602 0.08241 -0.03479 -0.00058 -0.00633 130 8D-1 -0.00318 0.01166 -0.02711 0.00391 0.00244 131 8D+2 -0.02759 0.01077 0.04324 0.00391 0.00385 132 8D-2 0.01972 0.02650 0.01187 0.00225 -0.00821 133 7 Cu 1S -0.00012 -0.00359 -0.00147 -0.00255 -0.00001 134 2S 0.00511 0.05365 0.02209 0.01648 0.00245 135 3S 0.01169 -0.07273 -0.02276 0.03503 -0.00042 136 4PX 0.00139 -0.00596 -0.00473 -0.00018 -0.00141 137 4PY -0.00173 -0.00475 -0.00141 -0.00216 -0.00024 138 4PZ -0.00360 -0.00426 0.00334 0.00025 0.00384 139 5PX -0.00648 -0.00846 0.00299 0.01253 0.00591 140 5PY 0.00410 -0.00495 -0.00228 0.00076 -0.00216 141 5PZ 0.01822 0.00185 -0.01177 0.00489 -0.01300 142 6PX 0.00577 0.02615 0.01825 0.01964 -0.00665 143 6PY -0.00004 -0.04229 -0.01783 -0.01755 0.00141 144 6PZ -0.02529 0.02490 -0.01428 0.01063 0.01533 145 7D 0 -0.00675 -0.04129 -0.05736 0.04030 -0.01279 146 7D+1 0.01480 0.07610 -0.04212 -0.04959 -0.05336 147 7D-1 0.06292 0.03470 -0.11412 0.01347 -0.22243 148 7D+2 -0.03946 -0.02045 0.04147 -0.01369 0.02853 149 7D-2 -0.01733 -0.00616 0.04589 0.02063 0.08194 150 8D 0 -0.00238 -0.01475 -0.01920 0.01376 -0.00436 151 8D+1 0.00537 0.02569 -0.01418 -0.01717 -0.01857 152 8D-1 0.02351 0.01137 -0.04064 0.00532 -0.07758 153 8D+2 -0.01345 -0.00842 0.01345 -0.00447 0.01025 154 8D-2 -0.00652 -0.00397 0.01578 0.00869 0.02854 155 8 Cu 1S -0.00051 -0.00014 -0.00079 -0.00446 0.00004 156 2S -0.00335 -0.00807 -0.05497 0.13021 -0.00179 157 3S -0.11507 -0.02089 -0.13408 0.11012 -0.00415 158 4PX -0.00711 0.00379 0.00054 0.00145 0.00386 159 4PY -0.00061 -0.00006 -0.00590 0.00337 0.00145 160 4PZ -0.00758 -0.00061 -0.00033 0.01350 -0.00158 161 5PX 0.01234 0.01105 0.00122 -0.00121 -0.02447 162 5PY 0.01069 0.00356 0.00745 -0.02049 -0.00833 163 5PZ 0.04066 0.00237 0.02897 -0.03237 0.00863 164 6PX -0.06643 0.01822 -0.04731 -0.00141 -0.00665 165 6PY 0.13136 0.02856 0.12598 0.00358 -0.00134 166 6PZ -0.07139 -0.02466 -0.11188 -0.00213 0.00152 167 7D 0 0.03675 -0.03866 0.00292 -0.20334 0.06475 168 7D+1 -0.20682 0.14761 -0.04435 -0.10750 -0.15874 169 7D-1 -0.27622 -0.04502 0.04731 -0.03849 -0.09798 170 7D+2 -0.19329 -0.18767 0.09759 0.34299 -0.18011 171 7D-2 -0.15881 0.51794 -0.04335 0.14922 0.35178 172 8D 0 0.01089 -0.01194 0.00011 -0.06992 0.02141 173 8D+1 -0.06854 0.04525 -0.01404 -0.03606 -0.05280 174 8D-1 -0.09189 -0.01602 0.01359 -0.01296 -0.03204 175 8D+2 -0.06550 -0.06260 0.03360 0.11235 -0.05849 176 8D-2 -0.05166 0.17159 -0.01418 0.04885 0.11380 177 9 C 1S -0.00030 0.00003 -0.00001 0.01070 -0.00022 178 2S 0.00064 -0.00006 0.00005 -0.01704 0.00033 179 3S 0.00076 -0.00030 -0.00024 -0.07243 0.00145 180 4PX -0.00367 -0.03171 0.00163 0.00730 0.00154 181 4PY 0.00129 -0.00782 -0.00695 -0.02896 0.00078 182 4PZ 0.00505 0.00000 -0.03218 0.00737 -0.00104 183 5PX 0.00245 -0.00757 0.00045 0.01073 -0.00113 184 5PY -0.00008 -0.00206 -0.00226 -0.04418 0.00039 185 5PZ -0.00391 0.00004 -0.00794 0.01000 0.00044 186 10 O 1S 0.00006 0.00000 0.00001 -0.00165 0.00005 187 2S -0.00022 0.00001 0.00001 0.00717 -0.00014 188 3S -0.00007 -0.00005 -0.00022 -0.00504 -0.00016 189 4PX 0.00737 0.06200 -0.00319 -0.00563 -0.00221 190 4PY -0.00161 0.01515 0.01364 0.02122 -0.00074 191 4PZ -0.01093 0.00006 0.06295 -0.00623 0.00135 192 5PX 0.00291 0.03238 -0.00166 -0.00241 -0.00087 193 5PY -0.00052 0.00794 0.00723 0.00888 -0.00027 194 5PZ -0.00438 0.00001 0.03296 -0.00272 0.00052 56 57 58 59 60 O O O O O EIGENVALUES -- -0.27669 -0.27656 -0.27108 -0.27097 -0.26925 1 1 Cu 1S 0.00001 0.00000 0.00001 0.00001 -0.00048 2 2S 0.00039 -0.00004 0.00027 0.00009 -0.00655 3 3S 0.00135 -0.00029 0.00202 0.00065 -0.04292 4 4PX -0.00171 -0.01498 0.00010 -0.00445 -0.00094 5 4PY 0.00286 -0.00382 -0.00105 -0.00111 0.00359 6 4PZ 0.01524 -0.00100 -0.00432 0.00012 -0.00092 7 5PX 0.00989 0.08679 -0.00039 0.00137 0.00469 8 5PY -0.01731 0.02240 0.00067 0.00075 -0.01888 9 5PZ -0.08859 0.00555 -0.00025 0.00032 0.00426 10 6PX 0.00237 0.02364 0.00258 -0.03370 0.00553 11 6PY -0.00313 0.00564 -0.00765 -0.00840 -0.02345 12 6PZ -0.02299 0.00174 -0.03680 -0.00084 0.00423 13 7D 0 0.04219 -0.05308 0.04489 0.01943 0.03008 14 7D+1 0.02663 0.15557 0.02059 -0.05260 -0.00550 15 7D-1 0.18657 0.01253 0.01508 -0.00754 0.02297 16 7D+2 -0.09087 0.09722 -0.02801 -0.00651 0.05016 17 7D-2 -0.04266 -0.10158 -0.00942 -0.01651 0.02531 18 8D 0 0.01197 -0.01591 0.01226 0.00551 0.00849 19 8D+1 0.00762 0.04720 0.00557 -0.01508 -0.00155 20 8D-1 0.05772 0.00378 0.00527 -0.00223 0.00649 21 8D+2 -0.02759 0.03010 -0.00814 -0.00239 0.01416 22 8D-2 -0.01311 -0.03213 -0.00275 -0.00363 0.00714 23 2 Cu 1S 0.00042 0.00054 0.00069 -0.00096 -0.00016 24 2S -0.02010 -0.02240 -0.01344 0.01761 0.02875 25 3S 0.00561 0.00722 0.02398 -0.03465 0.00827 26 4PX 0.00020 -0.00039 -0.00269 0.00138 0.00146 27 4PY 0.00622 0.00648 -0.00002 -0.00111 -0.00330 28 4PZ -0.00168 -0.00249 -0.00037 -0.00246 0.00018 29 5PX 0.00068 -0.00591 0.00159 0.00065 -0.00146 30 5PY 0.00688 0.00426 0.00505 -0.00537 -0.00078 31 5PZ 0.00309 -0.00551 -0.00075 0.00359 0.00149 32 6PX 0.00649 0.01203 -0.00120 -0.00788 -0.00177 33 6PY 0.01083 0.01546 0.00761 -0.01424 0.00179 34 6PZ -0.01324 -0.00840 -0.01271 0.00287 0.00063 35 7D 0 0.02669 0.12731 0.02294 0.00895 -0.06400 36 7D+1 -0.05361 -0.04405 -0.05166 -0.05137 0.04084 37 7D-1 0.09579 0.04075 0.05460 0.13667 -0.07443 38 7D+2 0.16887 0.19775 -0.11516 -0.02403 -0.14628 39 7D-2 0.08971 0.02141 0.08245 -0.01639 -0.03608 40 8D 0 0.00957 0.04182 0.00757 0.00317 -0.02167 41 8D+1 -0.01841 -0.01422 -0.01796 -0.01675 0.01391 42 8D-1 0.03376 0.01417 0.01829 0.04665 -0.02554 43 8D+2 0.05670 0.06803 -0.03902 -0.00813 -0.04982 44 8D-2 0.02906 0.00605 0.02788 -0.00542 -0.01199 45 3 Cu 1S 0.00055 0.00067 0.00072 -0.00098 0.00044 46 2S 0.00812 0.00863 -0.00945 0.01228 0.04485 47 3S 0.08129 0.08888 -0.01613 0.02121 -0.02254 48 4PX 0.01283 0.01200 -0.00614 -0.00258 -0.00629 49 4PY -0.01113 -0.01336 -0.00872 0.00595 0.00074 50 4PZ -0.00238 -0.00539 -0.00386 -0.00962 0.00429 51 5PX -0.06592 -0.08448 0.02661 0.00668 0.03437 52 5PY 0.06580 0.06570 0.03820 -0.02830 -0.01730 53 5PZ 0.03460 0.02195 0.01133 0.04239 -0.01821 54 6PX -0.02878 -0.04032 -0.02396 0.03974 -0.00037 55 6PY 0.02198 0.02118 0.06424 -0.07912 0.00159 56 6PZ 0.02085 0.01339 0.00255 0.01051 -0.00017 57 7D 0 0.00219 0.01407 -0.06504 0.05759 0.00126 58 7D+1 0.22841 0.17277 -0.22265 0.40164 -0.08077 59 7D-1 -0.19150 -0.07463 -0.26184 0.17714 0.04283 60 7D+2 -0.18398 -0.31290 0.04977 0.08379 0.08763 61 7D-2 0.10485 0.18126 0.00130 -0.08212 -0.02858 62 8D 0 0.00025 0.00499 -0.02039 0.01834 -0.00012 63 8D+1 0.07416 0.05582 -0.07097 0.12695 -0.02571 64 8D-1 -0.06278 -0.02487 -0.08286 0.05742 0.01258 65 8D+2 -0.06004 -0.10227 0.01472 0.02668 0.02657 66 8D-2 0.03453 0.05898 0.00112 -0.02641 -0.00913 67 4 Cu 1S 0.00024 -0.00084 0.00046 0.00111 0.00046 68 2S 0.00399 -0.01154 -0.00687 -0.01424 0.04459 69 3S 0.03638 -0.11558 -0.01342 -0.02234 -0.02348 70 4PX -0.00392 0.00922 0.00682 0.00452 0.00645 71 4PY -0.00696 0.02205 -0.00469 -0.00696 0.00329 72 4PZ 0.00145 0.00212 -0.00804 0.00769 0.00249 73 5PX 0.01467 -0.06656 -0.03026 -0.02484 -0.02872 74 5PY 0.04169 -0.12281 0.02039 0.03082 -0.03011 75 5PZ 0.01749 -0.00888 0.02956 -0.03354 -0.00929 76 6PX 0.00750 -0.03748 -0.00496 0.00034 -0.00060 77 6PY 0.01426 -0.04748 0.04437 0.10203 0.00210 78 6PZ 0.01095 -0.00771 0.00302 -0.01553 -0.00035 79 7D 0 0.05118 -0.10182 -0.12148 -0.29579 -0.02891 80 7D+1 -0.04616 0.08437 0.13728 0.38147 0.03809 81 7D-1 -0.18815 0.11518 -0.16780 -0.02539 0.04265 82 7D+2 -0.01426 0.11938 0.09463 0.14444 0.04962 83 7D-2 -0.08321 0.46458 0.02767 -0.08672 0.10557 84 8D 0 0.01609 -0.03295 -0.03854 -0.09381 -0.00984 85 8D+1 -0.01537 0.02674 0.04397 0.12112 0.01256 86 8D-1 -0.06136 0.03782 -0.05231 -0.00901 0.01281 87 8D+2 -0.00432 0.03879 0.02984 0.04607 0.01505 88 8D-2 -0.02734 0.15176 0.00790 -0.02844 0.03244 89 5 Cu 1S -0.00070 0.00017 -0.00116 -0.00010 -0.00021 90 2S 0.02964 -0.00671 0.02167 0.00179 0.02933 91 3S -0.00867 0.00257 -0.04115 -0.00327 0.00683 92 4PX 0.00148 -0.00135 0.00080 -0.00213 0.00086 93 4PY -0.00914 0.00178 -0.00018 -0.00040 -0.00312 94 4PZ -0.00010 0.00014 0.00321 0.00063 0.00167 95 5PX 0.00129 -0.00650 0.00109 0.00193 0.00017 96 5PY -0.00784 0.00030 -0.00791 -0.00005 -0.00177 97 5PZ 0.00318 0.00007 -0.00119 -0.00056 -0.00185 98 6PX 0.00228 0.00328 0.00334 -0.00985 -0.00062 99 6PY -0.02161 0.00578 -0.01785 -0.00443 0.00093 100 6PZ -0.01583 0.00311 -0.00757 0.00009 -0.00186 101 7D 0 -0.18350 0.05398 0.05738 0.03638 -0.11206 102 7D+1 -0.01284 -0.05166 0.03630 -0.10551 -0.00110 103 7D-1 -0.09342 0.01797 -0.06989 -0.04702 -0.04200 104 7D+2 -0.20305 0.06584 0.06078 -0.06351 -0.12770 105 7D-2 -0.10822 -0.04363 -0.00674 0.12695 -0.05956 106 8D 0 -0.06273 0.01801 0.01888 0.01222 -0.03826 107 8D+1 -0.00454 -0.01582 0.01208 -0.03565 -0.00048 108 8D-1 -0.02957 0.00602 -0.02391 -0.01596 -0.01394 109 8D+2 -0.06919 0.02267 0.02122 -0.02145 -0.04349 110 8D-2 -0.03648 -0.01482 -0.00208 0.04308 -0.02022 111 6 Cu 1S -0.00002 0.00000 -0.00003 -0.00001 0.00054 112 2S 0.00059 -0.00008 -0.00020 -0.00021 0.05653 113 3S 0.00078 -0.00042 -0.00187 -0.00099 0.15388 114 4PX -0.00070 -0.00600 -0.00003 0.00155 -0.00295 115 4PY 0.00126 -0.00156 0.00025 0.00032 0.01206 116 4PZ 0.00609 -0.00040 0.00149 -0.00002 -0.00273 117 5PX -0.00113 -0.01131 0.00012 -0.00396 0.01888 118 5PY 0.00217 -0.00282 0.00015 -0.00052 -0.07708 119 5PZ 0.01119 -0.00062 -0.00378 -0.00033 0.01763 120 6PX -0.00157 -0.01289 -0.00068 0.03654 0.01021 121 6PY 0.00236 -0.00331 0.00843 0.00881 -0.04084 122 6PZ 0.01218 -0.00098 0.03665 -0.00144 0.00984 123 7D 0 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0.00113 143 6PY 0.00241 -0.01070 0.00410 0.01117 0.00253 144 6PZ -0.00871 0.00784 -0.01118 -0.00241 0.00013 145 7D 0 -0.02410 -0.10803 -0.00196 0.00224 -0.05483 146 7D+1 -0.03982 -0.01427 0.04202 0.00781 0.00521 147 7D-1 0.08787 -0.07516 0.13976 -0.10461 -0.06912 148 7D+2 0.08979 -0.20868 -0.01497 0.03157 -0.12044 149 7D-2 0.01785 -0.17358 -0.10497 -0.05875 -0.10956 150 8D 0 -0.00748 -0.03607 -0.00097 0.00018 -0.01858 151 8D+1 -0.01265 -0.00379 0.01444 0.00327 0.00186 152 8D-1 0.03110 -0.02548 0.04736 -0.03552 -0.02361 153 8D+2 0.02927 -0.06966 -0.00503 0.01082 -0.04077 154 8D-2 0.00617 -0.06048 -0.03554 -0.01980 -0.03756 155 8 Cu 1S -0.00089 0.00019 -0.00121 -0.00015 0.00040 156 2S -0.01065 0.00225 0.01523 0.00130 0.04510 157 3S -0.11797 0.02624 0.02778 0.00068 -0.02050 158 4PX -0.00658 -0.00145 -0.00044 -0.01114 -0.00108 159 4PY 0.01411 -0.00368 0.01117 -0.00125 -0.00028 160 4PZ -0.01925 0.00468 0.00276 0.00221 -0.00761 161 5PX 0.03156 -0.01856 0.00231 0.04360 0.00860 162 5PY 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-0.03244 66 8D-2 0.01102 0.01652 0.00295 -0.01417 -0.06481 67 4 Cu 1S 0.00052 -0.00016 -0.00029 0.00017 -0.00001 68 2S 0.01119 -0.00526 0.00870 -0.00454 -0.00041 69 3S 0.11696 -0.04431 0.03037 -0.01440 -0.00099 70 4PX -0.00229 -0.00169 0.00036 0.00151 0.00503 71 4PY 0.00646 -0.00165 0.01724 -0.01039 -0.00149 72 4PZ 0.00079 0.00594 -0.00410 -0.00178 -0.01169 73 5PX 0.03189 0.00154 -0.00724 -0.00462 -0.02851 74 5PY -0.02840 0.00661 -0.08569 0.05094 0.00798 75 5PZ 0.00374 -0.03450 0.01864 0.01128 0.06570 76 6PX 0.05716 -0.01456 0.01501 -0.01199 -0.01684 77 6PY 0.10947 -0.04737 0.00309 -0.00209 0.00580 78 6PZ 0.00493 -0.02212 0.01170 0.00264 0.04003 79 7D 0 0.20766 -0.06818 -0.15032 0.03317 -0.29672 80 7D+1 -0.24371 0.15210 0.04074 -0.12138 -0.30301 81 7D-1 0.10733 0.08799 -0.13338 -0.00729 0.04096 82 7D+2 -0.13054 0.01200 -0.08279 0.09823 0.15901 83 7D-2 0.04173 -0.06934 -0.10177 0.08872 -0.06486 84 8D 0 0.06606 -0.02065 -0.04762 0.01103 -0.09466 85 8D+1 -0.07745 0.04907 0.01294 -0.03861 -0.09724 86 8D-1 0.03311 0.02699 -0.04440 -0.00376 0.01086 87 8D+2 -0.04281 0.00409 -0.02681 0.03169 0.05118 88 8D-2 0.01261 -0.02104 -0.03348 0.03004 -0.01980 89 5 Cu 1S -0.00003 0.00008 0.00310 0.00180 0.00003 90 2S 0.00036 -0.00067 -0.02852 -0.01670 -0.00031 91 3S -0.00309 0.02120 0.13549 0.07966 0.00105 92 4PX -0.00180 -0.00002 -0.00041 -0.00042 -0.00093 93 4PY -0.00015 -0.00156 -0.00010 -0.00010 -0.00017 94 4PZ 0.00035 -0.00031 -0.00373 -0.00216 0.00010 95 5PX -0.00078 -0.00032 -0.00713 -0.00989 -0.00491 96 5PY 0.00104 -0.00808 0.02508 0.01346 -0.00087 97 5PZ 0.00179 -0.01209 -0.03171 -0.01760 0.00060 98 6PX -0.00163 -0.00418 0.00280 -0.01221 -0.00722 99 6PY -0.00470 0.03375 -0.00621 -0.00626 -0.00121 100 6PZ -0.00307 0.02357 -0.03319 -0.01698 0.00108 101 7D 0 0.04586 -0.04142 -0.16544 -0.08215 0.00099 102 7D+1 -0.14601 -0.00765 -0.07205 -0.09704 0.00706 103 7D-1 -0.02640 -0.15516 0.22343 0.14264 -0.03068 104 7D+2 -0.07002 0.00951 0.02782 0.07870 -0.08292 105 7D-2 0.10686 0.00098 0.12909 -0.09132 0.20306 106 8D 0 0.01521 -0.01368 -0.05610 -0.02810 -0.00012 107 8D+1 -0.04838 -0.00238 -0.02476 -0.03202 0.00407 108 8D-1 -0.00888 -0.05234 0.07511 0.04827 -0.00991 109 8D+2 -0.02396 0.00335 0.00893 0.02668 -0.02752 110 8D-2 0.03708 0.00055 0.04365 -0.03133 0.06809 111 6 Cu 1S -0.00002 0.00005 -0.00001 0.00000 -0.00001 112 2S 0.00068 -0.00153 0.00112 0.00037 0.00038 113 3S 0.00037 -0.00036 0.00312 0.00104 0.00034 114 4PX 0.00340 0.00020 0.00291 -0.00412 -0.00012 115 4PY 0.00093 -0.00092 0.00178 -0.00022 0.00008 116 4PZ -0.00004 -0.00330 0.00402 0.00324 0.00003 117 5PX -0.01565 -0.00039 -0.02989 0.04186 0.00052 118 5PY -0.00402 0.00353 -0.01726 0.00257 -0.00031 119 5PZ 0.00051 0.01386 -0.04063 -0.03265 -0.00016 120 6PX 0.01512 0.00100 -0.01214 0.01568 0.00025 121 6PY 0.00358 -0.00333 -0.00647 0.00080 -0.00020 122 6PZ 0.00029 -0.01705 -0.01497 -0.01301 -0.00004 123 7D 0 -0.18240 0.22896 0.43811 0.16465 0.00157 124 7D+1 0.50613 0.11005 0.03805 0.34308 0.00153 125 7D-1 0.08227 0.49025 -0.25068 -0.17663 0.00003 126 7D+2 0.24566 -0.31105 0.03576 -0.17214 0.00196 127 7D-2 -0.22163 -0.10056 -0.31688 0.38950 0.00404 128 8D 0 -0.05958 0.07439 0.14360 0.05397 0.00051 129 8D+1 0.16549 0.03572 0.01244 0.11249 0.00048 130 8D-1 0.02695 0.16099 -0.08207 -0.05781 0.00001 131 8D+2 0.08071 -0.10178 0.01164 -0.05642 0.00064 132 8D-2 -0.07331 -0.03291 -0.10383 0.12759 0.00130 133 7 Cu 1S -0.00009 0.00002 -0.00316 0.00180 0.00005 134 2S 0.00157 -0.00028 0.02936 -0.01678 -0.00058 135 3S 0.01463 -0.00863 -0.13634 0.07670 0.00147 136 4PX 0.00044 -0.00104 -0.00316 0.00174 0.00043 137 4PY -0.00123 0.00067 -0.00192 0.00111 -0.00003 138 4PZ 0.00106 0.00142 -0.00122 0.00082 -0.00087 139 5PX 0.01178 -0.00554 -0.01603 0.00694 0.00192 140 5PY -0.00216 0.00020 -0.03756 0.02191 -0.00018 141 5PZ 0.00573 -0.00149 -0.00041 0.00571 -0.00444 142 6PX -0.03147 0.01168 -0.02980 0.01108 0.00270 143 6PY 0.01510 -0.00684 -0.01131 0.00819 -0.00024 144 6PZ -0.01505 0.00837 -0.00510 0.01664 -0.00701 145 7D 0 -0.00998 -0.02660 -0.18761 0.00794 -0.09475 146 7D+1 -0.09636 -0.02996 -0.00731 -0.07388 -0.06279 147 7D-1 -0.04933 -0.16212 0.10647 0.05028 0.16913 148 7D+2 -0.10999 0.09450 -0.13974 0.11464 0.02340 149 7D-2 0.07208 0.04379 0.17630 -0.16597 -0.08318 150 8D 0 -0.00299 -0.00810 -0.06315 0.00281 -0.03260 151 8D+1 -0.03218 -0.00930 -0.00224 -0.02465 -0.02215 152 8D-1 -0.01663 -0.05508 0.03658 0.01763 0.05577 153 8D+2 -0.03711 0.03137 -0.04691 0.03824 0.00852 154 8D-2 0.02474 0.01493 0.05963 -0.05652 -0.02766 155 8 Cu 1S -0.00012 0.00061 0.00023 0.00014 -0.00001 156 2S -0.00105 0.00921 -0.00790 -0.00481 -0.00011 157 3S -0.01913 0.12248 -0.03347 -0.02139 -0.00073 158 4PX -0.00590 -0.00238 0.00257 0.00583 -0.01248 159 4PY -0.00199 0.00565 -0.01593 -0.00837 -0.00266 160 4PZ 0.00115 -0.00123 0.00782 0.00382 0.00200 161 5PX 0.03167 0.01044 -0.01212 -0.02999 0.06993 162 5PY 0.01174 -0.03641 0.07614 0.03995 0.01473 163 5PZ -0.00251 -0.01666 -0.04297 -0.02115 -0.01094 164 6PX 0.02471 -0.02843 0.00647 -0.00625 0.04250 165 6PY -0.00650 0.07328 0.00513 0.00286 0.00921 166 6PZ 0.01242 -0.11024 0.02238 0.01361 -0.00710 167 7D 0 -0.00621 -0.16972 0.05104 0.06947 -0.08948 168 7D+1 0.11268 -0.02643 0.04289 -0.11405 0.34546 169 7D-1 0.06390 -0.20419 0.01171 -0.01868 0.02815 170 7D+2 0.01490 0.26390 0.21604 0.08980 -0.06190 171 7D-2 -0.08462 0.06560 0.08751 0.05500 0.27828 172 8D 0 -0.00188 -0.05511 0.01765 0.02320 -0.02899 173 8D+1 0.03617 -0.00839 0.01439 -0.03686 0.11174 174 8D-1 0.02020 -0.06553 0.00357 -0.00662 0.00956 175 8D+2 0.00422 0.08282 0.07023 0.02822 -0.01879 176 8D-2 -0.02523 0.02062 0.02717 0.01954 0.08716 177 9 C 1S 0.00002 -0.00009 0.00011 0.00004 -0.00005 178 2S -0.00004 0.00014 -0.00019 -0.00007 0.00020 179 3S -0.00013 0.00056 -0.00060 -0.00014 0.00000 180 4PX 0.01008 0.00069 -0.01232 0.01766 0.00027 181 4PY 0.00244 -0.00213 -0.00707 0.00122 0.00022 182 4PZ 0.00020 -0.01110 -0.01631 -0.01292 -0.00018 183 5PX 0.00097 -0.00008 -0.00340 0.00495 0.00041 184 5PY 0.00017 -0.00012 -0.00198 0.00040 0.00010 185 5PZ -0.00008 -0.00152 -0.00435 -0.00341 -0.00021 186 10 O 1S 0.00000 0.00002 -0.00002 -0.00001 0.00000 187 2S 0.00001 -0.00006 0.00006 0.00002 -0.00002 188 3S 0.00000 -0.00006 0.00004 0.00002 0.00013 189 4PX -0.01598 -0.00113 0.01997 -0.02848 -0.00062 190 4PY -0.00392 0.00362 0.01109 -0.00208 -0.00014 191 4PZ -0.00029 0.01776 0.02634 0.02084 0.00031 192 5PX -0.00803 -0.00056 0.01133 -0.01616 -0.00044 193 5PY -0.00196 0.00188 0.00622 -0.00123 -0.00006 194 5PZ -0.00013 0.00907 0.01493 0.01178 0.00021 66 67 68 69 70 O O O O O EIGENVALUES -- -0.25591 -0.25590 -0.25345 -0.25241 -0.25175 1 1 Cu 1S 0.00000 0.00000 0.00001 0.00101 -0.00054 2 2S -0.00016 0.00006 0.00007 -0.00142 -0.00383 3 3S 0.00030 0.00056 0.00107 -0.04313 -0.08498 4 4PX 0.00748 0.01993 -0.00065 -0.00093 -0.00181 5 4PY -0.00293 0.00638 -0.00018 0.00359 0.00700 6 4PZ -0.02080 0.00660 0.00015 -0.00096 -0.00175 7 5PX -0.04954 -0.13201 0.00348 0.00753 -0.00018 8 5PY 0.01924 -0.04224 0.00083 -0.02826 0.00607 9 5PZ 0.13781 -0.04352 -0.00059 0.00892 0.00169 10 6PX -0.05050 -0.13539 0.00151 -0.02665 -0.00614 11 6PY 0.01578 -0.04021 0.00059 0.12564 0.03707 12 6PZ 0.13921 -0.04427 0.00003 -0.01060 0.00326 13 7D 0 -0.03919 0.00884 -0.00031 0.00912 0.02868 14 7D+1 -0.01135 0.04110 0.00223 -0.00043 -0.00355 15 7D-1 0.11018 -0.02742 -0.00083 0.00744 0.01978 16 7D+2 -0.00817 0.06281 -0.00214 0.00760 0.04017 17 7D-2 -0.04510 -0.09695 0.00453 0.00534 0.02060 18 8D 0 -0.01199 0.00323 -0.00011 0.00269 0.00870 19 8D+1 -0.00402 0.01080 0.00063 -0.00017 -0.00118 20 8D-1 0.03111 -0.00788 -0.00023 0.00221 0.00621 21 8D+2 -0.00179 0.01763 -0.00060 0.00237 0.01259 22 8D-2 -0.01282 -0.02812 0.00127 0.00162 0.00649 23 2 Cu 1S 0.00168 0.00102 -0.00006 -0.00043 -0.00063 24 2S -0.02712 -0.01764 0.00107 0.01146 -0.01137 25 3S 0.11409 0.07607 -0.00062 0.12448 -0.00058 26 4PX -0.00195 -0.00190 0.00166 0.00297 -0.00330 27 4PY 0.00243 0.00125 0.00071 -0.00243 0.00334 28 4PZ 0.00120 -0.00014 0.00196 -0.00125 0.00148 29 5PX -0.03490 -0.00764 -0.00624 -0.03237 0.00862 30 5PY -0.01743 -0.00268 -0.00236 0.03174 -0.01888 31 5PZ 0.01665 0.03179 -0.00850 0.01095 -0.00099 32 6PX -0.01281 0.01738 -0.01176 -0.03133 0.00392 33 6PY -0.02628 -0.00441 -0.00603 -0.01949 -0.02143 34 6PZ -0.00734 0.03057 -0.01469 0.02831 0.00270 35 7D 0 0.26612 -0.36558 0.42137 0.22384 -0.01950 36 7D+1 0.20147 0.21176 -0.09200 0.27270 -0.02929 37 7D-1 0.16467 0.17204 -0.01607 0.13345 0.30584 38 7D+2 -0.06456 0.11982 -0.16351 0.15277 0.19023 39 7D-2 -0.23428 0.11642 -0.17842 0.21746 -0.24669 40 8D 0 0.08734 -0.11945 0.14093 0.07509 -0.00715 41 8D+1 0.06538 0.06843 -0.03060 0.09016 -0.01035 42 8D-1 0.05384 0.05726 -0.00556 0.04454 0.10126 43 8D+2 -0.01982 0.03933 -0.05447 0.05202 0.06284 44 8D-2 -0.07701 0.03836 -0.05983 0.07326 -0.08253 45 3 Cu 1S 0.00138 0.00089 -0.00007 -0.00208 -0.00038 46 2S -0.00495 -0.00329 0.00063 0.01540 -0.04944 47 3S 0.08596 0.05561 -0.00433 -0.11048 0.02033 48 4PX 0.00087 0.00215 -0.00156 0.01171 -0.00546 49 4PY -0.00268 -0.00107 -0.00094 -0.01636 0.01204 50 4PZ -0.00123 0.00121 -0.00208 -0.00180 -0.00143 51 5PX -0.01578 -0.01631 0.00976 -0.03840 0.00653 52 5PY -0.00414 -0.00525 0.00628 0.05522 -0.03362 53 5PZ 0.01986 0.00539 0.01231 0.00494 0.01037 54 6PX -0.01011 -0.00340 -0.00554 0.02535 -0.00387 55 6PY 0.01770 0.01424 -0.00473 0.00769 -0.00123 56 6PZ -0.00288 0.00008 -0.01028 -0.02269 0.00333 57 7D 0 -0.06266 0.05881 -0.09083 -0.05619 0.02390 58 7D+1 -0.03781 -0.00176 -0.00830 -0.03487 -0.07622 59 7D-1 -0.04470 -0.11176 0.05667 -0.02157 0.08614 60 7D+2 -0.07597 -0.02339 -0.01001 -0.04373 0.13013 61 7D-2 0.07699 -0.03762 0.06825 -0.07145 -0.01194 62 8D 0 -0.01929 0.01858 -0.02727 -0.01882 0.00754 63 8D+1 -0.01096 0.00041 -0.00249 -0.01039 -0.02271 64 8D-1 -0.01515 -0.03643 0.01701 -0.00735 0.02818 65 8D+2 -0.02559 -0.00797 -0.00293 -0.01573 0.04145 66 8D-2 0.02573 -0.01101 0.02044 -0.02362 -0.00418 67 4 Cu 1S 0.00012 -0.00166 0.00004 -0.00210 -0.00037 68 2S -0.00020 0.00584 0.00003 0.01522 -0.04939 69 3S 0.00644 -0.10236 0.00293 -0.11025 0.02173 70 4PX 0.00089 0.00071 -0.00112 -0.00435 -0.00043 71 4PY -0.00042 0.00323 0.00011 -0.01973 0.01315 72 4PZ -0.00203 -0.00013 0.00255 0.00063 -0.00189 73 5PX -0.00168 -0.02739 0.00723 0.01378 0.01075 74 5PY 0.00137 -0.00346 -0.00184 0.06647 -0.03340 75 5PZ 0.00852 -0.01161 -0.01520 -0.00290 0.00863 76 6PX 0.00207 -0.00005 -0.00431 -0.03160 0.00455 77 6PY 0.00353 -0.02535 0.00206 -0.00587 -0.00034 78 6PZ -0.00319 0.00316 0.01130 -0.01503 0.00241 79 7D 0 -0.07750 0.04042 0.07578 -0.07423 0.00833 80 7D+1 -0.05255 -0.06355 0.06624 0.02976 0.01211 81 7D-1 0.07713 0.06008 -0.06363 -0.02147 0.07446 82 7D+2 0.02668 -0.00223 -0.03001 -0.06987 0.07499 83 7D-2 -0.05303 0.09669 0.03688 0.01566 0.13205 84 8D 0 -0.02429 0.01202 0.02275 -0.02431 0.00340 85 8D+1 -0.01635 -0.01986 0.01993 0.00922 0.00246 86 8D-1 0.02483 0.02012 -0.01909 -0.00747 0.02375 87 8D+2 0.00826 -0.00080 -0.00905 -0.02415 0.02313 88 8D-2 -0.01711 0.03330 0.01095 0.00399 0.04218 89 5 Cu 1S -0.00174 0.00080 0.00001 -0.00051 -0.00071 90 2S 0.02877 -0.01403 -0.00006 0.01244 -0.01137 91 3S -0.12735 0.06034 -0.00069 0.12117 -0.00312 92 4PX 0.00033 -0.00138 -0.00254 0.00089 -0.00111 93 4PY -0.00217 0.00081 -0.00055 -0.00207 0.00256 94 4PZ 0.00273 -0.00115 0.00037 0.00353 -0.00434 95 5PX 0.01103 0.01984 0.00957 -0.01086 0.00476 96 5PY 0.02395 -0.00641 0.00201 0.02813 -0.01545 97 5PZ 0.03793 -0.02178 -0.00120 -0.03587 0.01261 98 6PX 0.01200 0.03668 0.01795 -0.00104 0.00409 99 6PY 0.02804 -0.00512 0.00400 -0.01945 -0.01685 100 6PZ 0.00187 -0.00716 -0.00248 -0.03662 0.00581 101 7D 0 0.09406 -0.16849 -0.10455 -0.15144 0.24425 102 7D+1 0.21085 0.39493 0.40998 -0.11944 0.09214 103 7D-1 0.27629 -0.07997 0.05775 0.09996 -0.32191 104 7D+2 -0.23634 0.04941 -0.02777 0.39252 0.23541 105 7D-2 0.07862 0.29772 0.21151 0.17954 0.05873 106 8D 0 0.02956 -0.05442 -0.03497 -0.04960 0.08136 107 8D+1 0.06861 0.12897 0.13708 -0.03986 0.03094 108 8D-1 0.09020 -0.02635 0.01927 0.03426 -0.10736 109 8D+2 -0.07809 0.01602 -0.00942 0.13138 0.07717 110 8D-2 0.02590 0.09842 0.07105 0.06022 0.01900 111 6 Cu 1S 0.00003 -0.00003 0.00001 -0.00232 -0.00021 112 2S -0.00046 0.00053 0.00100 0.11615 -0.10325 113 3S -0.00138 0.00126 0.00104 0.06880 -0.05462 114 4PX 0.00035 0.00098 -0.00007 -0.00314 0.00127 115 4PY -0.00022 0.00039 0.00005 0.01297 -0.00526 116 4PZ -0.00108 0.00032 0.00000 -0.00277 0.00129 117 5PX -0.00224 -0.00660 0.00024 0.00338 -0.00143 118 5PY 0.00112 -0.00214 -0.00010 -0.01382 0.00503 119 5PZ 0.00729 -0.00221 0.00003 0.00238 -0.00227 120 6PX -0.00457 -0.01422 0.00025 0.00247 0.00025 121 6PY 0.00200 -0.00427 0.00007 -0.01198 -0.00282 122 6PZ 0.01457 -0.00410 -0.00007 0.00131 -0.00074 123 7D 0 0.03097 -0.04541 0.00020 0.06382 0.06699 124 7D+1 0.04789 0.08432 -0.00240 -0.01249 -0.01260 125 7D-1 0.08765 -0.01169 -0.00101 0.05190 0.05145 126 7D+2 -0.04205 0.05608 -0.00151 0.11018 0.09105 127 7D-2 -0.02644 -0.02399 0.00066 0.05700 0.04925 128 8D 0 0.00888 -0.01369 0.00006 0.02056 0.02170 129 8D+1 0.01441 0.02619 -0.00072 -0.00407 -0.00415 130 8D-1 0.02819 -0.00391 -0.00033 0.01683 0.01686 131 8D+2 -0.01295 0.01793 -0.00050 0.03563 0.02982 132 8D-2 -0.00863 -0.00860 0.00025 0.01842 0.01615 133 7 Cu 1S 0.00022 -0.00199 0.00005 -0.00043 -0.00061 134 2S -0.00252 0.03208 -0.00075 0.01144 -0.01126 135 3S 0.01178 -0.13591 0.00115 0.12561 0.00017 136 4PX -0.00023 -0.00155 0.00112 -0.00195 0.00193 137 4PY 0.00034 -0.00358 -0.00019 -0.00346 0.00442 138 4PZ 0.00091 -0.00026 -0.00241 -0.00056 0.00055 139 5PX 0.01273 -0.04320 -0.00381 0.01887 0.00018 140 5PY -0.00204 -0.00016 0.00074 0.04278 -0.02077 141 5PZ -0.01916 -0.02114 0.01017 0.00370 0.00126 142 6PX 0.01586 -0.01171 -0.00827 0.04334 0.00592 143 6PY -0.00456 0.02051 0.00190 -0.00419 -0.02127 144 6PZ -0.03429 -0.01077 0.01799 0.01794 0.00293 145 7D 0 0.35469 -0.14107 -0.30813 0.35810 -0.00013 146 7D+1 0.32407 0.29518 -0.33700 -0.22230 -0.10318 147 7D-1 -0.00411 -0.07118 -0.04876 0.05993 0.17598 148 7D+2 -0.20654 0.17012 0.18362 0.18513 -0.09587 149 7D-2 0.06455 -0.09719 -0.02871 -0.03075 0.36423 150 8D 0 0.11616 -0.04611 -0.10311 0.11952 -0.00096 151 8D+1 0.10596 0.09616 -0.11262 -0.07367 -0.03378 152 8D-1 -0.00239 -0.02395 -0.01600 0.02032 0.05828 153 8D+2 -0.06738 0.05490 0.06141 0.06314 -0.03233 154 8D-2 0.02164 -0.03294 -0.00977 -0.00982 0.12111 155 8 Cu 1S -0.00143 0.00069 0.00000 -0.00213 -0.00041 156 2S 0.00542 -0.00281 0.00023 0.01362 -0.05107 157 3S -0.09045 0.04483 0.00016 -0.11418 0.01688 158 4PX 0.00019 0.00241 0.00258 0.00505 -0.00335 159 4PY 0.00265 -0.00078 0.00042 -0.01453 0.01189 160 4PZ -0.00211 0.00070 -0.00033 0.01304 -0.00520 161 5PX -0.00210 -0.00866 -0.01583 -0.01709 0.00761 162 5PY 0.00893 -0.00660 -0.00314 0.05000 -0.03440 163 5PZ 0.02621 -0.01145 0.00250 -0.04341 0.00193 164 6PX 0.00714 0.00080 0.01234 -0.00239 -0.00203 165 6PY -0.01990 0.00941 0.00264 0.02172 0.00322 166 6PZ 0.00775 -0.00359 -0.00201 0.01993 -0.01202 167 7D 0 0.03876 -0.00812 0.01229 0.02658 0.17296 168 7D+1 -0.00982 -0.04101 -0.05265 0.03355 0.02722 169 7D-1 -0.06282 0.04172 0.00509 -0.06033 -0.00670 170 7D+2 0.11453 -0.00376 0.03526 -0.07452 0.09593 171 7D-2 -0.02380 -0.12530 -0.10314 -0.04371 0.04103 172 8D 0 0.01444 -0.00381 0.00368 0.00702 0.05407 173 8D+1 -0.00208 -0.01285 -0.01582 0.01072 0.00856 174 8D-1 -0.02114 0.01397 0.00150 -0.02041 -0.00321 175 8D+2 0.03683 -0.00134 0.01049 -0.02501 0.03157 176 8D-2 -0.00757 -0.03974 -0.03084 -0.01463 0.01331 177 9 C 1S 0.00009 -0.00003 0.00011 -0.00127 -0.01718 178 2S -0.00042 0.00022 -0.00025 0.01210 0.04339 179 3S 0.00019 -0.00035 -0.00053 -0.02582 0.07189 180 4PX -0.00281 -0.00780 0.00041 -0.00164 -0.01199 181 4PY 0.00086 -0.00236 -0.00025 0.00683 0.04881 182 4PZ 0.00827 -0.00266 -0.00001 -0.00174 -0.01187 183 5PX -0.00353 -0.00877 0.00063 0.00480 -0.00206 184 5PY 0.00156 -0.00312 0.00004 -0.01898 0.00558 185 5PZ 0.00922 -0.00308 -0.00015 0.00368 -0.00373 186 10 O 1S -0.00001 0.00000 -0.00001 -0.00005 0.00200 187 2S 0.00004 -0.00001 0.00005 -0.00051 -0.00807 188 3S -0.00009 0.00006 0.00002 0.00216 0.00038 189 4PX 0.00757 0.02013 -0.00088 0.00067 0.00637 190 4PY -0.00284 0.00641 0.00001 -0.00333 -0.02469 191 4PZ -0.02093 0.00672 0.00018 0.00099 0.00728 192 5PX 0.00550 0.01445 -0.00066 0.00019 0.00229 193 5PY -0.00207 0.00463 -0.00007 -0.00137 -0.00793 194 5PZ -0.01495 0.00482 0.00016 0.00039 0.00318 71 72 73 74 75 O O O O O EIGENVALUES -- -0.25101 -0.25094 -0.25053 -0.25042 -0.24888 1 1 Cu 1S 0.00004 -0.00001 -0.00002 -0.00001 0.00077 2 2S 0.00008 0.00003 0.00032 0.00064 -0.00344 3 3S 0.01165 -0.00092 -0.00056 0.00195 0.06768 4 4PX 0.00013 -0.00268 -0.00270 0.00010 0.00008 5 4PY 0.00000 -0.00057 -0.00077 -0.00095 -0.00150 6 4PZ 0.00225 0.00023 0.00006 -0.00279 -0.00328 7 5PX 0.00138 -0.01182 0.02483 0.00027 -0.00084 8 5PY 0.00464 -0.00233 0.00510 0.00400 0.01044 9 5PZ 0.01549 0.00153 -0.00134 0.02397 0.02076 10 6PX 0.01126 -0.23618 -0.06334 0.00318 -0.00252 11 6PY 0.04874 -0.05192 -0.01562 -0.01471 -0.01258 12 6PZ 0.24172 0.02431 -0.00625 -0.08089 -0.05787 13 7D 0 0.10473 -0.03503 -0.00976 -0.00311 -0.17398 14 7D+1 0.04175 0.11522 0.02175 0.00169 -0.05283 15 7D-1 0.01504 0.01712 0.00665 -0.05176 -0.05566 16 7D+2 -0.06079 0.00093 0.02620 0.02257 0.04436 17 7D-2 -0.02460 0.04928 -0.03864 0.00566 0.00897 18 8D 0 0.02819 -0.00964 -0.00300 -0.00157 -0.05079 19 8D+1 0.01127 0.03170 0.00698 0.00022 -0.01526 20 8D-1 0.00461 0.00480 0.00200 -0.01492 -0.01544 21 8D+2 -0.01691 0.00059 0.00750 0.00673 0.01156 22 8D-2 -0.00681 0.01285 -0.01074 0.00172 0.00206 23 2 Cu 1S 0.00052 0.00064 -0.00033 0.00019 -0.00052 24 2S -0.00348 -0.00409 -0.00161 0.00427 0.00825 25 3S 0.00239 0.00686 -0.00317 0.00269 0.00226 26 4PX 0.00060 0.00034 -0.00017 0.00413 0.00115 27 4PY 0.00073 0.00093 0.00101 0.00083 -0.00107 28 4PZ 0.00012 -0.00087 0.00345 0.00185 -0.00458 29 5PX -0.00488 -0.00112 0.00230 -0.01860 -0.00513 30 5PY -0.01147 -0.01380 -0.00255 -0.00411 0.00723 31 5PZ -0.00103 0.01056 -0.01715 -0.00723 0.02022 32 6PX -0.02102 0.00984 -0.00347 0.00145 -0.00096 33 6PY -0.04594 -0.04935 -0.01793 0.01735 0.01300 34 6PZ -0.01331 0.04259 0.01044 -0.00650 0.02549 35 7D 0 0.12662 -0.26725 -0.00165 -0.01451 -0.16054 36 7D+1 -0.15127 -0.22602 -0.16865 -0.08891 0.25685 37 7D-1 -0.30687 -0.24708 0.34115 0.22862 -0.12668 38 7D+2 -0.18515 -0.24584 -0.03784 -0.34433 0.01515 39 7D-2 -0.11986 0.11970 0.04906 0.24989 0.08502 40 8D 0 0.04150 -0.08768 -0.00103 -0.00517 -0.05316 41 8D+1 -0.05054 -0.07582 -0.05589 -0.02904 0.08556 42 8D-1 -0.10143 -0.08180 0.11275 0.07571 -0.04166 43 8D+2 -0.06042 -0.08045 -0.01248 -0.11371 0.00463 44 8D-2 -0.03901 0.03991 0.01626 0.08294 0.02801 45 3 Cu 1S 0.00036 0.00040 -0.00043 0.00030 -0.00136 46 2S 0.01903 0.02607 0.00615 -0.00110 0.02226 47 3S 0.00871 0.01044 -0.02518 0.01285 -0.05582 48 4PX 0.00075 -0.00332 -0.00269 -0.00513 0.00276 49 4PY 0.00012 -0.00171 -0.00164 -0.00361 -0.00233 50 4PZ 0.00358 -0.00034 -0.00550 -0.00593 0.00340 51 5PX 0.00591 0.03709 0.00807 0.01995 -0.00392 52 5PY -0.00906 0.00107 0.01051 0.00969 0.01243 53 5PZ -0.02972 -0.00635 0.01941 0.02195 -0.02340 54 6PX 0.05190 0.09661 0.04011 -0.01999 0.01503 55 6PY -0.04756 -0.07070 -0.02376 0.02700 -0.02016 56 6PZ -0.03333 -0.03484 -0.00811 0.02282 -0.00346 57 7D 0 -0.00891 0.02022 -0.00036 -0.02218 -0.01111 58 7D+1 0.11701 0.12071 -0.14750 -0.01308 0.07915 59 7D-1 -0.08245 -0.03921 0.11376 0.13869 -0.11459 60 7D+2 -0.05356 -0.15816 -0.00690 -0.17596 -0.03753 61 7D-2 0.04156 0.08948 0.06473 0.08050 -0.00014 62 8D 0 -0.00461 0.00667 -0.00111 -0.00811 -0.00472 63 8D+1 0.03631 0.03709 -0.04661 -0.00224 0.02455 64 8D-1 -0.02637 -0.01386 0.03454 0.04203 -0.03446 65 8D+2 -0.01718 -0.05071 -0.00041 -0.05385 -0.01201 66 8D-2 0.01391 0.02757 0.01997 0.02511 -0.00014 67 4 Cu 1S 0.00031 -0.00042 0.00052 0.00021 -0.00122 68 2S 0.01596 -0.02856 -0.00511 0.00022 0.01714 69 3S 0.01042 -0.00935 0.02661 0.00824 -0.04851 70 4PX -0.00007 -0.00332 -0.00047 0.00443 -0.00122 71 4PY 0.00010 0.00048 0.00019 -0.00186 -0.00311 72 4PZ 0.00409 0.00071 0.00445 -0.00841 0.00398 73 5PX -0.00607 0.03512 0.00255 -0.01639 -0.00366 74 5PY -0.01150 0.01447 -0.00576 0.00344 0.01155 75 5PZ -0.02865 -0.00063 -0.01453 0.03098 -0.02257 76 6PX -0.02762 0.06924 0.03089 0.00504 -0.00437 77 6PY -0.05578 0.11008 0.04856 0.01796 -0.01679 78 6PZ -0.01856 0.01243 0.00127 0.01753 -0.00049 79 7D 0 0.03317 -0.06755 0.04832 -0.02889 0.01204 80 7D+1 -0.05485 0.05180 -0.06078 -0.01549 -0.01679 81 7D-1 -0.10160 0.04452 -0.13119 0.20216 -0.12073 82 7D+2 -0.01707 0.05918 -0.07083 -0.06733 -0.01809 83 7D-2 -0.08540 0.20485 -0.03265 -0.14209 -0.03642 84 8D 0 0.00869 -0.02067 0.01624 -0.00950 0.00265 85 8D+1 -0.01779 0.01462 -0.01918 -0.00651 -0.00614 86 8D-1 -0.03192 0.01493 -0.04023 0.06083 -0.03652 87 8D+2 -0.00493 0.01916 -0.02316 -0.02045 -0.00613 88 8D-2 -0.02771 0.06505 -0.01139 -0.04402 -0.01132 89 5 Cu 1S -0.00079 0.00002 0.00001 -0.00031 0.00098 90 2S 0.00456 -0.00030 0.00020 -0.00310 -0.04361 91 3S -0.01854 0.00051 -0.00006 -0.00082 -0.02412 92 4PX 0.00027 -0.00041 0.00498 -0.00081 -0.00046 93 4PY -0.00149 0.00000 0.00097 -0.00049 -0.00404 94 4PZ -0.00086 0.00005 -0.00083 -0.00277 -0.01051 95 5PX -0.00302 0.00633 -0.02199 0.00335 0.00055 96 5PY 0.01990 0.00046 -0.00447 0.00436 0.02591 97 5PZ 0.00845 -0.00111 0.00397 0.01426 0.04802 98 6PX -0.01172 0.04131 -0.00095 0.00462 0.00352 99 6PY 0.07449 0.00519 -0.00585 -0.03054 0.00588 100 6PZ 0.01037 -0.00651 -0.00170 -0.00648 0.04261 101 7D 0 0.03421 -0.03834 0.08042 0.18538 0.59791 102 7D+1 -0.02586 0.16711 -0.25412 0.07259 0.09694 103 7D-1 -0.17947 0.00084 -0.11984 -0.06072 0.17017 104 7D+2 0.46109 -0.11005 -0.23297 0.11039 -0.00926 105 7D-2 0.19958 0.25324 0.43054 -0.02152 0.01685 106 8D 0 0.00987 -0.01244 0.02648 0.06160 0.19953 107 8D+1 -0.00867 0.05462 -0.08340 0.02404 0.03191 108 8D-1 -0.06033 0.00023 -0.03948 -0.02002 0.05817 109 8D+2 0.15214 -0.03630 -0.07707 0.03626 -0.00182 110 8D-2 0.06570 0.08329 0.14273 -0.00724 0.00639 111 6 Cu 1S 0.00010 0.00000 -0.00001 -0.00003 -0.00036 112 2S 0.00247 -0.00087 0.00193 0.00571 0.02114 113 3S -0.00013 -0.00012 0.00259 0.00666 0.00069 114 4PX 0.00010 -0.00477 -0.00414 -0.00007 -0.00052 115 4PY 0.00107 -0.00113 -0.00091 -0.00065 0.00413 116 4PZ 0.00457 0.00046 0.00011 -0.00425 0.00503 117 5PX -0.00094 0.02735 0.01147 -0.00002 -0.00001 118 5PY -0.00638 0.00613 0.00262 0.00184 -0.00824 119 5PZ -0.02668 -0.00274 0.00021 0.01193 -0.02348 120 6PX -0.00119 0.01402 0.00579 -0.00123 0.00069 121 6PY -0.00301 0.00309 0.00186 0.00099 -0.00903 122 6PZ -0.01228 -0.00179 0.00100 0.00410 -0.01839 123 7D 0 0.03229 0.00035 0.05970 0.08412 0.06195 124 7D+1 0.01161 0.00172 -0.18877 0.02847 0.01977 125 7D-1 -0.03939 -0.00406 -0.03913 0.16748 -0.04525 126 7D+2 -0.00700 -0.02373 -0.07921 -0.11797 0.03836 127 7D-2 -0.00367 0.05013 0.06894 -0.03511 0.01472 128 8D 0 0.00861 0.00037 0.01880 0.02580 0.01937 129 8D+1 0.00292 -0.00015 -0.05947 0.00861 0.00609 130 8D-1 -0.01117 -0.00120 -0.01251 0.05381 -0.01419 131 8D+2 -0.00216 -0.00681 -0.02556 -0.03741 0.01245 132 8D-2 -0.00098 0.01400 0.02295 -0.01109 0.00478 133 7 Cu 1S 0.00047 -0.00070 0.00034 0.00016 -0.00043 134 2S -0.00280 0.00425 0.00385 0.00339 0.00455 135 3S 0.00012 -0.00772 0.00550 0.00172 0.00104 136 4PX -0.00079 0.00094 -0.00151 -0.00316 -0.00078 137 4PY 0.00030 -0.00065 -0.00150 -0.00052 -0.00150 138 4PZ 0.00025 0.00074 -0.00277 0.00357 -0.00398 139 5PX 0.00811 -0.00981 0.00917 0.01442 0.00210 140 5PY -0.00747 0.01191 0.00596 0.00199 0.00938 141 5PZ -0.00320 -0.00903 0.01361 -0.01505 0.01760 142 6PX 0.03011 -0.02576 -0.01603 -0.00574 -0.00185 143 6PY -0.02896 0.04935 0.01887 0.00993 0.01216 144 6PZ -0.02583 -0.03824 -0.00681 -0.00145 0.02507 145 7D 0 0.03345 0.37438 0.03800 -0.06178 -0.05721 146 7D+1 0.32830 -0.19913 -0.02107 0.01963 -0.22261 147 7D-1 -0.20810 0.12151 -0.30032 0.41286 -0.20287 148 7D+2 -0.11226 0.00610 -0.00019 -0.05863 0.06062 149 7D-2 -0.07807 0.28553 -0.12272 -0.32651 -0.07541 150 8D 0 0.01061 0.12365 0.01303 -0.02062 -0.01868 151 8D+1 0.10842 -0.06678 -0.00697 0.00594 -0.07401 152 8D-1 -0.06865 0.03985 -0.09928 0.13650 -0.06701 153 8D+2 -0.03617 0.00085 -0.00014 -0.01910 0.01976 154 8D-2 -0.02564 0.09384 -0.04062 -0.10809 -0.02511 155 8 Cu 1S -0.00050 0.00003 -0.00002 -0.00041 0.00069 156 2S -0.02941 0.00145 0.00257 0.00983 -0.04181 157 3S -0.01295 -0.00032 -0.00302 -0.02692 0.04764 158 4PX -0.00039 -0.00438 -0.01003 0.00119 0.00120 159 4PY 0.00143 -0.00092 -0.00234 0.00040 -0.00118 160 4PZ 0.00275 0.00048 0.00169 0.00125 0.00850 161 5PX -0.00308 0.02819 0.03633 -0.00544 -0.00285 162 5PY -0.00160 0.00611 0.00848 0.00287 -0.00786 163 5PZ -0.03905 -0.00218 -0.00491 -0.00502 -0.03863 164 6PX -0.03055 0.01407 0.01896 0.01247 -0.01578 165 6PY 0.06266 -0.00005 -0.00383 -0.02655 0.04588 166 6PZ -0.12723 0.00413 0.00941 0.05845 -0.03938 167 7D 0 0.24231 0.00566 0.03377 0.11986 0.19831 168 7D+1 0.06052 -0.06134 -0.11526 0.03318 0.05396 169 7D-1 -0.04844 -0.01754 -0.05413 0.05178 -0.10913 170 7D+2 0.03699 -0.03273 -0.11349 0.02299 0.11361 171 7D-2 0.01665 0.05103 0.21368 -0.00969 0.03670 172 8D 0 0.07638 0.00215 0.00995 0.03905 0.06150 173 8D+1 0.01891 -0.02058 -0.03325 0.01050 0.01688 174 8D-1 -0.01583 -0.00552 -0.01608 0.01665 -0.03444 175 8D+2 0.01354 -0.00993 -0.03470 0.00665 0.03485 176 8D-2 0.00586 0.01451 0.06569 -0.00305 0.01104 177 9 C 1S 0.00111 -0.00012 0.00024 0.00076 0.00327 178 2S -0.00299 0.00029 -0.00054 -0.00168 -0.00678 179 3S -0.00456 0.00055 -0.00114 -0.00417 -0.02004 180 4PX 0.00038 0.00751 -0.00071 0.00050 0.00199 181 4PY -0.00510 0.00201 -0.00081 -0.00226 -0.01027 182 4PZ -0.00679 -0.00085 0.00036 -0.00022 -0.00372 183 5PX -0.00215 0.02805 -0.01786 0.00021 -0.00130 184 5PY -0.00625 0.00627 -0.00456 -0.00470 0.00530 185 5PZ -0.02983 -0.00306 0.00187 -0.01605 -0.00298 186 10 O 1S -0.00017 0.00001 -0.00001 -0.00008 -0.00105 187 2S 0.00054 -0.00006 0.00010 0.00035 0.00218 188 3S 0.00070 0.00003 -0.00029 -0.00007 0.00853 189 4PX 0.00064 -0.01609 0.00876 -0.00029 -0.00141 190 4PY 0.00600 -0.00371 0.00220 0.00297 0.01107 191 4PZ 0.01621 0.00172 -0.00086 0.00819 0.01318 192 5PX 0.00082 -0.01403 0.01031 -0.00013 -0.00041 193 5PY 0.00436 -0.00313 0.00239 0.00262 0.00469 194 5PZ 0.01453 0.00151 -0.00089 0.00971 0.00840 76 77 78 79 80 O O O O O EIGENVALUES -- -0.24876 -0.24866 -0.24563 -0.24195 -0.24183 1 1 Cu 1S -0.00021 -0.00337 0.00005 -0.00001 0.00000 2 2S 0.00095 0.01551 -0.00006 0.00010 -0.00002 3 3S -0.01950 -0.30337 0.00544 -0.00004 0.00012 4 4PX -0.00401 -0.00058 0.00003 -0.00039 -0.00901 5 4PY -0.00072 0.00285 -0.00009 -0.00222 -0.00199 6 4PZ 0.00019 -0.00167 0.00002 -0.00916 0.00088 7 5PX 0.02580 0.00428 -0.00043 0.00103 0.03002 8 5PY 0.00439 -0.02139 0.00038 0.00770 0.00672 9 5PZ -0.00131 0.01159 -0.00001 0.03009 -0.00275 10 6PX -0.05515 0.00495 0.00059 -0.00089 -0.02735 11 6PY -0.01321 -0.00833 0.00116 -0.00823 -0.00617 12 6PZ 0.00430 -0.00794 -0.00042 -0.03183 0.00299 13 7D 0 -0.05125 0.07601 -0.00208 -0.09249 -0.02214 14 7D+1 0.16901 -0.04392 -0.00001 -0.03924 0.06864 15 7D-1 0.03032 0.07662 -0.00207 0.03489 0.00374 16 7D+2 0.01943 0.19218 -0.00374 0.02549 -0.02301 17 7D-2 0.07028 0.09360 -0.00092 0.01398 0.08141 18 8D 0 -0.01458 0.02407 -0.00065 -0.02539 -0.00615 19 8D+1 0.04836 -0.01311 -0.00001 -0.01073 0.01906 20 8D-1 0.00872 0.02412 -0.00064 0.00927 0.00110 21 8D+2 0.00536 0.05904 -0.00116 0.00713 -0.00617 22 8D-2 0.02127 0.02883 -0.00031 0.00386 0.02214 23 2 Cu 1S 0.00079 -0.00023 -0.00001 0.00011 -0.00013 24 2S -0.02516 0.05084 -0.00009 -0.02487 0.03746 25 3S -0.01469 0.03604 0.00016 -0.05344 0.08301 26 4PX -0.00719 0.00586 -0.00333 -0.00450 0.00636 27 4PY -0.00147 0.00356 -0.00195 0.00566 -0.00917 28 4PZ 0.00318 -0.00681 -0.00448 0.00058 -0.00146 29 5PX 0.03316 -0.02710 0.01354 0.01306 -0.01926 30 5PY 0.00854 -0.03469 0.00815 -0.02273 0.03583 31 5PZ -0.01529 0.03864 0.01786 0.00002 0.00054 32 6PX 0.03478 -0.01924 0.00715 0.01510 -0.02163 33 6PY 0.00048 -0.01219 0.00415 -0.00943 0.01746 34 6PZ -0.00538 0.02440 0.00942 -0.00625 0.00995 35 7D 0 -0.11705 -0.10415 0.02830 -0.20974 0.15149 36 7D+1 -0.30853 0.42538 0.13674 -0.04377 0.05200 37 7D-1 -0.02645 0.03689 -0.27183 0.08549 -0.04499 38 7D+2 0.33974 -0.24072 0.20690 -0.06833 0.10540 39 7D-2 -0.03359 -0.12854 -0.14871 -0.16533 0.38156 40 8D 0 -0.03821 -0.03621 0.00915 -0.07063 0.05219 41 8D+1 -0.10311 0.14106 0.04492 -0.01420 0.01666 42 8D-1 -0.00873 0.01151 -0.08921 0.02884 -0.01563 43 8D+2 0.11343 -0.08210 0.06803 -0.02374 0.03651 44 8D-2 -0.01038 -0.04448 -0.04867 -0.05685 0.12969 45 3 Cu 1S 0.00126 0.00253 -0.00005 0.00162 -0.00250 46 2S -0.03373 0.01180 -0.00009 0.01887 -0.03027 47 3S 0.05981 0.07217 -0.00241 0.10450 -0.16247 48 4PX 0.00384 -0.01377 -0.00064 -0.00269 0.00792 49 4PY 0.00202 0.01358 -0.00073 0.00189 -0.00100 50 4PZ -0.00073 0.00594 -0.00134 0.00504 -0.00304 51 5PX -0.02393 0.03698 -0.00527 0.00859 -0.02445 52 5PY -0.01592 -0.04617 -0.00174 -0.00699 0.00477 53 5PZ 0.00989 -0.01449 -0.00590 -0.01503 0.00898 54 6PX -0.02729 0.01971 -0.01156 -0.01694 0.03091 55 6PY 0.03758 -0.03446 -0.00552 0.02062 -0.02380 56 6PZ 0.00475 -0.00158 -0.01510 0.01329 -0.00843 57 7D 0 0.00686 0.02155 -0.18159 0.17888 -0.12709 58 7D+1 -0.05242 0.02166 0.12506 -0.02757 -0.01361 59 7D-1 0.06990 -0.11737 -0.15774 -0.00731 0.05642 60 7D+2 0.16813 -0.04781 0.19453 0.04290 -0.16206 61 7D-2 -0.08688 0.09986 -0.01143 0.15904 -0.29216 62 8D 0 0.00162 0.00822 -0.05927 0.05816 -0.04273 63 8D+1 -0.01659 0.00630 0.03906 -0.00886 -0.00390 64 8D-1 0.02186 -0.03749 -0.04813 -0.00350 0.01942 65 8D+2 0.05205 -0.01394 0.06081 0.01455 -0.05257 66 8D-2 -0.02608 0.03454 -0.00199 0.05329 -0.09724 67 4 Cu 1S -0.00103 0.00270 -0.00004 0.00137 0.00264 68 2S 0.03777 0.00630 0.00034 0.01609 0.03193 69 3S -0.05483 0.08066 -0.00305 0.08884 0.17119 70 4PX 0.00546 0.00763 -0.00076 0.00237 0.00761 71 4PY 0.00203 0.01808 -0.00024 0.00279 0.00442 72 4PZ 0.00037 0.00253 0.00144 0.00410 0.00110 73 5PX -0.03315 -0.01358 -0.00317 -0.00714 -0.02259 74 5PY -0.00254 -0.05790 0.00257 -0.00958 -0.01536 75 5PZ -0.00525 -0.00503 0.00723 -0.01223 -0.00303 76 6PX -0.01176 -0.00251 -0.00838 0.00823 0.02088 77 6PY -0.05409 -0.03097 0.00226 0.02073 0.03663 78 6PZ 0.00150 0.00182 0.01766 0.00883 0.00138 79 7D 0 0.00735 0.01759 0.10079 0.13793 0.14416 80 7D+1 0.00875 0.03439 0.16431 0.07376 -0.00820 81 7D-1 -0.05818 -0.06202 0.23794 0.05248 0.00382 82 7D+2 -0.04213 0.06146 -0.10723 0.12990 0.33895 83 7D-2 -0.22541 -0.09759 -0.07784 -0.05538 -0.09226 84 8D 0 0.00290 0.00659 0.03348 0.04477 0.04779 85 8D+1 0.00288 0.01133 0.05318 0.02380 -0.00158 86 8D-1 -0.01841 -0.01919 0.07322 0.01630 0.00109 87 8D+2 -0.01317 0.02258 -0.03442 0.04373 0.11226 88 8D-2 -0.06964 -0.03210 -0.02345 -0.01871 -0.03172 89 5 Cu 1S 0.00006 0.00011 0.00000 -0.00019 -0.00001 90 2S 0.00013 0.03864 -0.00037 0.04556 0.00204 91 3S 0.00061 0.02828 0.00069 0.09901 0.00396 92 4PX -0.00367 0.00009 0.00569 0.00324 -0.00037 93 4PY -0.00069 0.00426 0.00098 -0.00959 -0.00058 94 4PZ 0.00017 0.00442 -0.00089 0.00879 0.00045 95 5PX 0.01696 0.00318 -0.02292 -0.01167 0.00034 96 5PY 0.00229 -0.03715 -0.00342 0.03927 0.00202 97 5PZ -0.00091 -0.02108 0.00355 -0.02551 -0.00103 98 6PX 0.02683 -0.00034 -0.01230 -0.00749 0.00028 99 6PY 0.00489 -0.01688 -0.00234 0.01403 0.00102 100 6PZ -0.00186 -0.01159 0.00190 -0.03096 -0.00132 101 7D 0 -0.04702 -0.20807 0.04742 -0.08309 -0.01783 102 7D+1 0.28145 -0.02519 -0.15573 -0.14197 0.05671 103 7D-1 0.05297 -0.25162 -0.07531 0.40543 0.01753 104 7D+2 0.04556 0.00696 -0.15405 0.19667 -0.02230 105 7D-2 -0.00908 -0.02845 0.30708 0.14357 0.10322 106 8D 0 -0.01548 -0.06958 0.01565 -0.02695 -0.00585 107 8D+1 0.09309 -0.00788 -0.05132 -0.04809 0.01859 108 8D-1 0.01750 -0.08467 -0.02469 0.13865 0.00598 109 8D+2 0.01493 0.00015 -0.05050 0.06682 -0.00734 110 8D-2 -0.00293 -0.01058 0.10069 0.04896 0.03429 111 6 Cu 1S 0.00010 0.00163 -0.00005 0.00000 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0.00021 -0.00474 -0.03693 132 8D-2 -0.02325 -0.02218 0.00158 0.00577 0.08996 133 7 Cu 1S -0.00088 -0.00010 0.00001 0.00007 0.00014 134 2S 0.03350 0.04620 -0.00042 -0.02081 -0.03963 135 3S 0.02116 0.03364 0.00094 -0.04628 -0.08706 136 4PX -0.00917 -0.00718 -0.00222 0.00160 0.00245 137 4PY -0.00181 0.00087 0.00046 0.00594 0.01161 138 4PZ -0.00214 -0.00423 0.00545 -0.00036 0.00017 139 5PX 0.04454 0.04226 0.00878 -0.00216 -0.00272 140 5PY 0.00468 -0.01989 -0.00126 -0.02232 -0.04268 141 5PZ 0.01121 0.02523 -0.02213 0.00187 0.00274 142 6PX 0.03655 0.02334 0.00501 -0.00948 -0.01561 143 6PY 0.01493 -0.00433 -0.00127 -0.01296 -0.02636 144 6PZ 0.00115 0.01708 -0.01130 -0.00150 -0.00466 145 7D 0 0.23420 0.05287 -0.06563 -0.18785 -0.18876 146 7D+1 -0.19605 -0.28551 0.01659 -0.05789 0.03375 147 7D-1 -0.05340 -0.09903 0.35865 0.04923 -0.02070 148 7D+2 -0.30601 -0.31219 -0.02826 -0.14691 -0.36017 149 7D-2 -0.33859 -0.10608 -0.15624 0.06153 0.18997 150 8D 0 0.07721 0.01586 -0.02140 -0.06303 -0.06423 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0.04659 -0.07924 0.00978 17 7D-2 0.16554 0.05444 0.01457 -0.04092 0.00332 18 8D 0 0.00125 0.00540 -0.00687 -0.01387 0.00021 19 8D+1 -0.00666 -0.01752 -0.00195 0.00271 0.00034 20 8D-1 -0.00561 -0.00352 -0.01706 -0.01126 -0.00095 21 8D+2 -0.01669 -0.00801 0.01061 -0.02331 -0.00080 22 8D-2 0.03374 0.00836 0.00337 -0.01207 -0.00076 23 2 Cu 1S 0.00080 -0.00810 -0.00590 0.00337 -0.00369 24 2S 0.07841 -0.17960 -0.13057 0.02608 -0.02142 25 3S -0.05455 -0.16786 -0.11937 0.20453 -0.05298 26 4PX -0.00302 0.01832 0.03371 0.02008 0.01901 27 4PY 0.03734 -0.00546 0.00665 0.02249 -0.04471 28 4PZ -0.01447 -0.03340 0.00226 -0.02395 0.00027 29 5PX 0.05898 -0.09832 -0.15325 -0.10393 -0.09277 30 5PY -0.17184 0.05584 -0.00259 -0.07801 0.19952 31 5PZ 0.02996 0.13897 -0.00537 0.10930 0.00518 32 6PX 0.04285 -0.08837 -0.13941 -0.05242 -0.10835 33 6PY -0.01555 -0.03570 -0.06580 -0.01656 0.28741 34 6PZ -0.00954 0.16134 0.01712 0.04614 -0.01470 35 7D 0 -0.03709 -0.01049 0.02121 -0.01504 0.00397 36 7D+1 0.02073 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-0.03864 -0.04780 0.09404 -0.03766 57 7D 0 0.02614 -0.03042 0.02299 0.02298 -0.00860 58 7D+1 -0.00182 -0.03635 -0.04298 -0.00183 -0.02732 59 7D-1 0.02538 0.01647 0.02549 0.05865 0.01899 60 7D+2 -0.02832 0.04993 0.00812 0.06899 0.02017 61 7D-2 0.01533 -0.02565 -0.03139 -0.00811 -0.02522 62 8D 0 0.00907 -0.00932 0.00701 0.00549 -0.00140 63 8D+1 0.00256 -0.01301 -0.01457 -0.00045 -0.00483 64 8D-1 0.00790 0.00491 0.00770 0.01695 0.00643 65 8D+2 -0.00856 0.01639 0.00325 0.01885 0.00601 66 8D-2 0.00798 -0.00792 -0.00971 -0.00406 -0.00606 67 4 Cu 1S 0.00721 -0.00308 0.00136 -0.00586 0.00369 68 2S 0.22299 -0.10662 0.04769 -0.13082 -0.00334 69 3S -0.05707 0.07623 -0.03411 -0.28220 0.04358 70 4PX 0.02981 -0.00093 -0.02078 -0.02717 0.04330 71 4PY -0.01677 0.02470 -0.00580 0.02014 0.04128 72 4PZ 0.00013 0.01839 0.03914 -0.01417 0.01275 73 5PX -0.12217 0.00577 0.07043 0.10874 -0.14768 74 5PY 0.09661 -0.15580 0.05036 -0.00237 -0.05545 75 5PZ -0.00425 -0.05478 -0.13913 0.04777 -0.05235 76 6PX -0.10602 0.10017 -0.03531 0.13688 -0.05702 77 6PY 0.11084 0.32865 -0.15305 0.06131 0.07629 78 6PZ -0.03909 -0.00319 -0.02010 0.05250 -0.02586 79 7D 0 -0.02238 0.03789 0.00937 0.02957 -0.01746 80 7D+1 -0.00460 -0.00763 0.03716 -0.02299 0.00862 81 7D-1 -0.02911 -0.01659 0.02864 0.04108 0.01576 82 7D+2 0.00925 -0.01513 -0.01364 0.03111 -0.00209 83 7D-2 0.02067 -0.06754 0.02654 0.06870 0.03978 84 8D 0 -0.00955 0.01260 0.00242 0.00745 -0.00254 85 8D+1 0.00103 -0.00371 0.01201 -0.00675 0.00017 86 8D-1 -0.00879 -0.00548 0.00894 0.01148 0.00467 87 8D+2 0.00112 -0.00591 -0.00365 0.00695 -0.00045 88 8D-2 0.00888 -0.02193 0.00869 0.02017 0.01055 89 5 Cu 1S 0.00011 -0.00102 0.00992 0.00337 -0.00361 90 2S 0.00571 -0.02240 0.21940 0.02643 -0.01976 91 3S -0.00249 -0.01939 0.20233 0.20748 -0.05530 92 4PX -0.00260 -0.02710 -0.00737 -0.00211 0.01110 93 4PY 0.00135 -0.00497 -0.00788 0.02801 -0.04126 94 4PZ -0.00008 0.00819 -0.04152 0.02583 0.02252 95 5PX 0.00869 0.10754 0.04219 0.00310 -0.05070 96 5PY 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0.00429 155 8 Cu 1S -0.00036 0.00039 -0.00343 -0.00584 0.00322 156 2S -0.01212 0.01247 -0.11656 -0.13009 -0.00981 157 3S 0.00246 -0.00729 0.07857 -0.27980 0.04187 158 4PX 0.02838 -0.04527 -0.01084 -0.00434 -0.01216 159 4PY 0.00706 -0.01141 0.01657 0.03227 0.01421 160 4PZ -0.00410 0.00856 -0.01690 0.01627 -0.05738 161 5PX -0.11278 0.15380 0.05626 -0.00232 0.02078 162 5PY -0.02976 0.04684 -0.12518 -0.06174 0.02143 163 5PZ 0.01630 -0.03306 0.09087 -0.10135 0.15245 164 6PX -0.03638 0.03068 -0.09153 -0.01924 -0.00013 165 6PY -0.01332 -0.01798 0.25581 -0.02372 0.05330 166 6PZ 0.00332 0.02220 -0.26994 -0.15683 0.05118 167 7D 0 0.01753 -0.00396 -0.07983 0.04896 0.04060 168 7D+1 -0.06644 0.04656 -0.02022 0.00488 0.01470 169 7D-1 -0.01869 0.00618 0.02526 -0.01858 -0.01887 170 7D+2 -0.02485 0.00539 -0.00676 0.07197 0.00096 171 7D-2 0.03201 0.00710 0.00197 0.02848 -0.00256 172 8D 0 0.00486 -0.00097 -0.02689 0.01388 0.00939 173 8D+1 -0.01918 0.01435 -0.00675 0.00196 0.00324 174 8D-1 -0.00550 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5PZ 0.02119 0.00823 0.18866 -0.00783 0.01167 91 92 93 94 95 V V V V V EIGENVALUES -- -0.01978 -0.01941 -0.00872 -0.00857 0.01949 1 1 Cu 1S 0.00001 0.00000 0.00000 0.00000 0.00001 2 2S 0.00204 0.00090 0.00023 0.00015 0.00022 3 3S 0.01261 0.00496 0.00042 0.00109 0.00333 4 4PX -0.00054 0.02273 0.00275 -0.04014 -0.01824 5 4PY 0.00533 0.00543 -0.00856 -0.00994 -0.00418 6 4PZ 0.02220 -0.00068 -0.04097 -0.00061 0.00109 7 5PX -0.00013 -0.03872 -0.00816 0.11654 0.04295 8 5PY -0.00562 -0.00775 0.02546 0.02907 0.00959 9 5PZ -0.03810 0.00081 0.11925 0.00156 -0.00241 10 6PX -0.00599 0.73719 -0.03056 0.51561 -0.82661 11 6PY 0.15842 0.16998 0.10628 0.12581 -0.18931 12 6PZ 0.76849 -0.03059 0.52477 0.00291 0.05220 13 7D 0 -0.07232 -0.01455 -0.00852 -0.01598 -0.01529 14 7D+1 -0.03819 0.02361 -0.00236 0.05331 0.04795 15 7D-1 0.07090 -0.00111 -0.07303 0.00778 0.00942 16 7D+2 0.00544 -0.03817 0.03280 0.03570 0.01612 17 7D-2 0.00139 0.09751 0.01356 -0.04563 -0.01120 18 8D 0 -0.01451 -0.00266 -0.00187 -0.00397 -0.00203 19 8D+1 -0.00768 0.00392 -0.00045 0.01337 0.00663 20 8D-1 0.01540 -0.00042 -0.01858 0.00195 0.00147 21 8D+2 0.00049 -0.00830 0.00820 0.00911 0.00317 22 8D-2 0.00010 0.02037 0.00341 -0.01181 -0.00364 23 2 Cu 1S 0.00084 -0.00136 0.00325 -0.00404 0.00345 24 2S 0.02091 -0.02999 -0.03634 0.04296 0.09375 25 3S 0.00573 -0.01231 0.01852 -0.01909 0.12865 26 4PX 0.03240 0.01230 -0.02872 0.04238 0.01087 27 4PY 0.01766 0.00192 0.03163 -0.03551 0.03939 28 4PZ 0.02905 0.03403 0.01742 -0.01096 -0.00662 29 5PX -0.14208 -0.06404 0.10951 -0.17312 -0.02977 30 5PY -0.07305 -0.01943 -0.14101 0.15493 -0.20100 31 5PZ -0.14041 -0.14505 -0.07025 0.03303 0.01614 32 6PX -0.20264 -0.06599 0.12403 -0.36573 -0.52177 33 6PY -0.26222 0.19875 -0.31731 0.27966 -0.74461 34 6PZ -0.10936 -0.29796 -0.20841 -0.03605 0.30929 35 7D 0 -0.00361 0.01277 -0.02197 -0.00506 -0.00188 36 7D+1 -0.00977 -0.00591 -0.00015 0.00615 0.00236 37 7D-1 -0.00386 0.03915 0.00046 0.00115 -0.02686 38 7D+2 -0.03620 0.01993 0.00146 0.01088 0.00906 39 7D-2 0.00971 0.00038 -0.00186 0.01679 0.01633 40 8D 0 -0.00054 0.00292 -0.00422 -0.00118 -0.00208 41 8D+1 -0.00186 -0.00263 0.00023 0.00019 -0.00001 42 8D-1 0.00080 0.00793 0.00146 -0.00024 -0.00486 43 8D+2 -0.00837 0.00357 0.00020 0.00137 -0.00085 44 8D-2 0.00194 0.00095 -0.00031 0.00400 0.00152 45 3 Cu 1S -0.00329 0.00474 -0.00166 0.00214 -0.00135 46 2S -0.04636 0.06160 -0.07923 0.09859 0.01698 47 3S -0.01307 0.01611 -0.11785 0.14600 0.31264 48 4PX 0.02758 0.00206 0.02353 -0.01618 0.01055 49 4PY 0.02840 -0.01393 -0.02817 0.04131 -0.01018 50 4PZ 0.01549 0.03873 0.00872 0.00754 -0.02304 51 5PX -0.13050 0.02631 -0.06607 0.02389 -0.09409 52 5PY -0.11536 0.07048 0.07200 -0.11821 0.00886 53 5PZ -0.03301 -0.17751 -0.04741 -0.02464 0.12071 54 6PX 0.14361 -0.34350 0.14482 -0.22862 0.48468 55 6PY -0.39234 0.44604 -0.14429 0.15647 -1.12196 56 6PZ -0.12033 -0.04815 -0.10625 0.06191 0.24108 57 7D 0 -0.00613 0.00747 -0.03664 -0.00973 0.00000 58 7D+1 -0.00139 0.03993 -0.01115 -0.00175 -0.02084 59 7D-1 -0.05022 -0.00502 0.03313 0.01241 -0.01422 60 7D+2 0.02376 0.02844 -0.01194 -0.00657 0.05485 61 7D-2 -0.01772 -0.01690 0.00544 0.04421 0.00837 62 8D 0 0.00182 0.00206 -0.00730 -0.00181 -0.00229 63 8D+1 -0.00077 0.00988 -0.00145 -0.00190 -0.00756 64 8D-1 -0.01197 -0.00226 0.00835 0.00150 -0.00168 65 8D+2 0.00687 0.00440 -0.00274 -0.00201 0.01617 66 8D-2 -0.00445 -0.00636 0.00049 0.01003 0.00266 67 4 Cu 1S -0.00217 -0.00527 -0.00096 -0.00254 0.00148 68 2S -0.03159 -0.07015 -0.04487 -0.11856 -0.01970 69 3S -0.01013 -0.01975 -0.06660 -0.17665 -0.35034 70 4PX -0.02688 -0.02029 -0.00705 -0.00187 0.01508 71 4PY 0.01251 0.01595 -0.01850 -0.05341 0.01591 72 4PZ 0.03183 -0.03065 0.01359 -0.00113 0.01686 73 5PX 0.12369 0.12898 0.02337 -0.01406 -0.13103 74 5PY -0.04359 -0.05770 0.04629 0.14172 -0.05662 75 5PZ -0.10855 0.13785 -0.06151 0.00548 -0.08523 76 6PX 0.01870 -0.10651 -0.04385 -0.17900 -0.11495 77 6PY -0.30061 -0.61230 -0.11753 -0.28228 1.34274 78 6PZ -0.12032 0.09086 -0.06190 -0.02465 -0.29457 79 7D 0 -0.00407 -0.02774 -0.03573 -0.00427 0.00567 80 7D+1 0.00721 0.03081 -0.02169 0.00660 -0.01269 81 7D-1 -0.05730 0.01365 0.03848 -0.01019 0.00355 82 7D+2 0.01064 0.00371 -0.00092 -0.02618 -0.05043 83 7D-2 0.02170 -0.01826 -0.01276 0.02741 -0.03312 84 8D 0 0.00166 -0.00607 -0.00692 -0.00002 0.00384 85 8D+1 0.00360 0.00649 -0.00481 -0.00050 -0.00312 86 8D-1 -0.01371 0.00449 0.00889 -0.00175 -0.00102 87 8D+2 0.00276 0.00411 -0.00089 -0.00646 -0.01456 88 8D-2 0.00623 -0.00360 -0.00250 0.00676 -0.01087 89 5 Cu 1S -0.00180 -0.00018 -0.00505 -0.00082 0.00038 90 2S -0.03751 -0.00456 0.05614 0.00913 0.01044 91 3S -0.01730 -0.00388 -0.02588 -0.00338 0.01400 92 4PX -0.00506 0.05511 0.01505 0.01103 0.02220 93 4PY -0.01532 0.00952 -0.03794 -0.00445 0.00893 94 4PZ -0.00914 -0.00909 0.05865 0.00828 -0.00266 95 5PX 0.02473 -0.25133 -0.06254 -0.05434 -0.11070 96 5PY 0.05401 -0.04552 0.17239 0.01899 -0.04478 97 5PZ 0.02900 0.04039 -0.23256 -0.03151 0.01659 98 6PX -0.02440 -0.34072 -0.09567 -0.25201 -0.48200 99 6PY 0.38157 -0.02749 0.36087 0.00763 -0.18467 100 6PZ 0.09183 0.05797 -0.41015 -0.03251 0.01847 101 7D 0 0.02566 0.00786 -0.00224 -0.00547 -0.00761 102 7D+1 0.00490 -0.01770 -0.00848 0.01892 0.02676 103 7D-1 -0.01229 -0.00874 0.01216 0.00472 0.01099 104 7D+2 0.04304 -0.00671 0.01137 0.00008 0.01051 105 7D-2 0.01401 0.02144 0.00507 0.01247 -0.01540 106 8D 0 0.00603 0.00197 -0.00037 -0.00092 -0.00128 107 8D+1 0.00116 -0.00482 -0.00160 0.00318 0.00428 108 8D-1 -0.00108 -0.00204 0.00349 0.00085 0.00146 109 8D+2 0.00816 -0.00213 0.00103 -0.00067 0.00093 110 8D-2 0.00260 0.00552 0.00048 0.00325 -0.00148 111 6 Cu 1S 0.00002 0.00003 0.00005 0.00001 0.00000 112 2S -0.00405 -0.00117 0.00014 -0.00010 -0.00015 113 3S -0.01107 -0.00380 -0.00203 -0.00108 -0.00035 114 4PX 0.00129 -0.02600 -0.00320 0.05208 -0.04390 115 4PY -0.00740 -0.00708 0.01080 0.01274 -0.01006 116 4PZ -0.02490 0.00070 0.05264 0.00059 0.00270 117 5PX -0.00558 0.12252 0.01504 -0.24612 0.21495 118 5PY 0.03302 0.03288 -0.05071 -0.06019 0.04917 119 5PZ 0.11744 -0.00326 -0.24871 -0.00278 -0.01329 120 6PX -0.00790 -0.03987 0.02773 -0.47585 0.88578 121 6PY -0.00205 -0.00320 -0.09886 -0.11624 0.20370 122 6PZ -0.05441 0.00588 -0.47952 -0.00384 -0.05711 123 7D 0 -0.03737 -0.01695 -0.00506 -0.00210 0.00728 124 7D+1 -0.01603 0.04484 -0.00236 0.00508 -0.02214 125 7D-1 -0.01693 0.00671 0.00122 0.00088 -0.00378 126 7D+2 0.02250 0.00575 0.00214 -0.00078 -0.00480 127 7D-2 0.00650 0.01078 0.00044 0.00421 -0.00039 128 8D 0 -0.00805 -0.00363 -0.00082 -0.00040 0.00086 129 8D+1 -0.00345 0.00959 -0.00038 0.00106 -0.00325 130 8D-1 -0.00357 0.00144 -0.00015 0.00018 -0.00088 131 8D+2 0.00479 0.00120 0.00051 0.00005 -0.00261 132 8D-2 0.00137 0.00237 0.00014 0.00045 0.00418 133 7 Cu 1S 0.00057 0.00140 0.00184 0.00486 -0.00382 134 2S 0.01360 0.03380 -0.02007 -0.05231 -0.10463 135 3S -0.00031 0.01262 0.01056 0.02360 -0.14460 136 4PX -0.02685 -0.00435 0.00817 0.03032 0.02765 137 4PY 0.00497 0.00085 0.02358 0.06045 -0.03417 138 4PZ 0.04513 -0.02659 0.00937 0.00387 0.00575 139 5PX 0.11550 0.00377 -0.02494 -0.11356 -0.11101 140 5PY -0.02045 0.00295 -0.10121 -0.25730 0.18704 141 5PZ -0.20981 0.11323 -0.04389 -0.00626 -0.01802 142 6PX 0.22288 0.15578 0.02590 -0.20356 -0.88560 143 6PY -0.12250 -0.21382 -0.21079 -0.48892 0.49509 144 6PZ -0.23754 0.24263 -0.21009 0.05559 -0.21901 145 7D 0 -0.00676 -0.01536 -0.01837 -0.00586 0.00089 146 7D+1 0.01132 0.01104 -0.01373 0.00870 -0.00558 147 7D-1 0.01566 -0.03212 -0.00258 -0.00123 0.01855 148 7D+2 -0.01157 -0.01169 0.00365 -0.01682 -0.02152 149 7D-2 -0.02492 -0.03071 -0.00009 0.00431 0.01438 150 8D 0 -0.00113 -0.00270 -0.00354 -0.00036 0.00225 151 8D+1 0.00221 0.00100 -0.00306 0.00062 -0.00138 152 8D-1 0.00485 -0.00697 0.00062 -0.00013 0.00362 153 8D+2 -0.00311 -0.00323 0.00048 -0.00370 -0.00103 154 8D-2 -0.00560 -0.00564 -0.00016 0.00181 0.00335 155 8 Cu 1S 0.00601 0.00070 0.00261 0.00041 -0.00012 156 2S 0.07800 0.00812 0.12370 0.01993 0.00263 157 3S 0.02129 0.00120 0.18369 0.02980 0.03848 158 4PX -0.00157 0.04354 -0.01592 0.01239 -0.02420 159 4PY -0.03277 0.00516 0.04587 0.01075 -0.00540 160 4PZ -0.02253 -0.00941 -0.02871 -0.00683 0.00620 161 5PX 0.00620 -0.16271 0.04566 -0.05990 0.06803 162 5PY 0.15798 -0.01484 -0.12957 -0.03578 0.01145 163 5PZ 0.13618 0.04077 0.05916 0.01915 -0.02613 164 6PX -0.15861 -0.17573 -0.07214 -0.06810 0.24182 165 6PY 0.55966 0.02392 0.16229 0.01041 -0.07992 166 6PZ -0.41505 -0.01720 -0.31566 -0.04039 0.01482 167 7D 0 -0.01284 -0.00917 -0.01038 -0.00433 -0.00718 168 7D+1 -0.00858 0.02997 -0.01288 0.01054 0.04387 169 7D-1 -0.02212 0.01183 0.03193 -0.00116 0.01614 170 7D+2 0.02955 0.03030 0.01110 -0.02047 0.01976 171 7D-2 0.01714 -0.04757 -0.00062 0.05431 -0.02335 172 8D 0 -0.00475 -0.00175 -0.00148 -0.00056 -0.00218 173 8D+1 -0.00146 0.00490 -0.00256 0.00144 0.01397 174 8D-1 -0.00709 0.00243 0.00866 -0.00012 0.00404 175 8D+2 0.00468 0.00754 0.00084 -0.00472 0.00385 176 8D-2 0.00303 -0.01365 -0.00055 0.01145 -0.00215 177 9 C 1S -0.00126 -0.00040 -0.00004 -0.00002 -0.00003 178 2S 0.00366 0.00117 0.00010 0.00006 0.00012 179 3S 0.00766 0.00259 0.00037 0.00022 0.00019 180 4PX -0.00817 0.34243 0.00320 -0.03109 -0.18457 181 4PY 0.08017 0.08202 -0.00739 -0.00775 -0.04220 182 4PZ 0.33995 -0.01147 -0.03652 -0.00118 0.01111 183 5PX -0.00578 0.21410 0.00356 -0.04346 -0.15663 184 5PY 0.05235 0.05213 -0.00928 -0.01061 -0.03618 185 5PZ 0.21184 -0.00721 -0.04754 -0.00100 0.00923 186 10 O 1S -0.00067 -0.00022 -0.00013 -0.00002 -0.00007 187 2S 0.00172 0.00057 0.00036 0.00005 0.00020 188 3S 0.00458 0.00149 0.00082 0.00017 0.00029 189 4PX 0.00413 -0.18452 -0.00418 0.05436 0.07520 190 4PY -0.04212 -0.04382 0.01224 0.01352 0.01723 191 4PZ -0.18352 0.00603 0.05768 0.00120 -0.00455 192 5PX 0.00364 -0.15731 -0.00248 0.02964 0.08242 193 5PY -0.03621 -0.03749 0.00677 0.00736 0.01883 194 5PZ -0.15628 0.00521 0.03236 0.00076 -0.00492 96 97 98 99 100 V V V V V EIGENVALUES -- 0.01964 0.02592 0.02707 0.03348 0.03850 1 1 Cu 1S 0.00002 -0.00067 0.00001 0.00158 0.00002 2 2S -0.00019 0.00561 -0.00092 0.11242 0.00042 3 3S -0.00957 0.75966 -0.03573 2.51641 -0.00119 4 4PX 0.00005 0.00510 0.00007 0.00248 0.00656 5 4PY 0.00434 -0.02076 0.00045 -0.01043 0.00157 6 4PZ 0.01809 0.00469 -0.00019 0.00212 -0.00064 7 5PX 0.00029 0.01252 -0.00177 0.03277 -0.04227 8 5PY -0.01016 -0.05006 0.00198 -0.13680 -0.00933 9 5PZ -0.04405 0.01282 0.00026 0.03093 0.00436 10 6PX 0.00710 -0.15568 0.00965 -0.10456 3.12849 11 6PY 0.18245 0.81623 -0.01470 0.50556 0.70126 12 6PZ 0.84978 -0.07927 -0.00027 -0.07161 -0.29766 13 7D 0 0.02543 0.01525 -0.00068 0.03598 0.00689 14 7D+1 0.00831 -0.00296 -0.00009 -0.00700 -0.02154 15 7D-1 0.03675 0.01241 -0.00071 0.02865 -0.00189 16 7D+2 -0.02807 0.02474 -0.00119 0.05929 0.00534 17 7D-2 -0.00847 0.01283 -0.00050 0.03069 -0.02288 18 8D 0 0.00230 0.00230 -0.00009 0.00227 0.00151 19 8D+1 0.00047 -0.00041 0.00000 -0.00035 -0.00442 20 8D-1 0.00687 0.00175 -0.00008 0.00150 0.00012 21 8D+2 -0.00409 0.00352 -0.00015 0.00320 0.00308 22 8D-2 -0.00116 0.00180 -0.00008 0.00162 -0.00920 23 2 Cu 1S 0.00241 -0.00327 0.00012 -0.00056 -0.00145 24 2S 0.06606 -0.10621 0.00465 -0.03505 -0.08085 25 3S 0.09226 -0.74626 0.02936 -0.66388 -0.44383 26 4PX -0.00870 0.00842 0.02938 -0.01016 -0.00503 27 4PY 0.01890 0.00037 0.01596 -0.00399 -0.00454 28 4PZ -0.02635 -0.00516 0.03986 0.00932 0.00828 29 5PX 0.06125 -0.03225 -0.13871 0.13316 0.04989 30 5PY -0.09708 -0.02070 -0.07461 0.01972 -0.00648 31 5PZ 0.11944 0.02433 -0.18617 -0.10876 -0.05283 32 6PX -0.01775 0.07924 -0.48194 0.71468 0.63124 33 6PY -0.33714 -0.84797 -0.23239 0.11148 0.65507 34 6PZ 0.68537 0.24295 -0.62405 -0.59596 -1.53736 35 7D 0 0.01492 0.01276 -0.02621 -0.00717 0.00160 36 7D+1 -0.01490 0.00602 0.00607 0.04581 0.02550 37 7D-1 0.00545 -0.00335 -0.00074 -0.00888 -0.02432 38 7D+2 -0.01933 0.00722 0.01151 -0.04144 0.00526 39 7D-2 0.01736 0.02218 0.01047 0.00037 0.00369 40 8D 0 0.00176 0.00411 -0.00148 -0.00090 0.00269 41 8D+1 -0.00227 0.00352 -0.00078 0.01128 0.00550 42 8D-1 -0.00043 -0.00040 0.00157 -0.00083 -0.00553 43 8D+2 -0.00418 0.00169 -0.00064 -0.00838 0.00082 44 8D-2 0.00123 0.00669 0.00128 0.00026 0.00616 45 3 Cu 1S -0.00094 -0.00262 0.00005 -0.00181 0.00006 46 2S 0.01195 0.05266 -0.00094 -0.00862 0.06373 47 3S 0.21693 1.47601 -0.02576 -0.14435 0.91481 48 4PX 0.02492 0.01104 0.00966 0.02403 -0.00449 49 4PY 0.00209 0.00903 0.00511 0.01092 -0.00975 50 4PZ 0.00789 -0.01164 0.01383 -0.02226 -0.03047 51 5PX -0.11518 -0.05361 -0.04896 -0.07508 -0.01716 52 5PY -0.01962 -0.04604 -0.02507 -0.06854 -0.02442 53 5PZ 0.01647 0.05732 -0.06731 0.08270 0.15876 54 6PX 0.19203 1.09163 -0.18656 -0.02639 -1.79666 55 6PY -0.86950 0.08611 -0.10036 -0.32570 2.30027 56 6PZ -0.02593 -0.86757 -0.19994 0.13801 1.03126 57 7D 0 0.02585 -0.02518 -0.03239 0.00379 -0.02634 58 7D+1 -0.04117 0.01399 0.01760 0.02939 -0.01956 59 7D-1 0.02903 0.01902 -0.02099 0.01039 -0.02218 60 7D+2 -0.00251 -0.01662 0.02975 -0.00612 -0.00189 61 7D-2 0.01585 -0.04835 0.00457 0.00124 -0.01143 62 8D 0 0.00966 -0.00823 -0.00455 -0.00133 -0.00933 63 8D+1 -0.01200 0.00199 0.00343 0.00417 -0.00846 64 8D-1 0.00669 0.00303 -0.00490 0.00262 -0.00363 65 8D+2 0.00070 -0.00667 0.00587 -0.00180 0.00132 66 8D-2 0.00126 -0.01401 -0.00009 -0.00334 -0.00374 67 4 Cu 1S -0.00072 -0.00265 0.00011 -0.00183 -0.00007 68 2S 0.00765 0.05285 -0.00037 -0.00891 -0.07033 69 3S 0.15129 1.47923 -0.02233 -0.14819 -1.00183 70 4PX -0.01807 -0.01621 0.00783 -0.03154 0.00374 71 4PY -0.00453 0.00320 -0.00162 -0.00070 0.00878 72 4PZ 0.01783 -0.00795 -0.01558 -0.01386 0.02718 73 5PX 0.09214 0.08060 -0.03883 0.11576 -0.08444 74 5PY 0.01840 -0.01640 0.00800 -0.02835 0.00996 75 5PZ -0.03293 0.03912 0.07709 0.05342 -0.13401 76 6PX 0.15079 -1.25380 -0.10294 0.17870 -1.05809 77 6PY -0.63989 -0.42942 0.04306 -0.30301 -3.04320 78 6PZ -0.07216 -0.49321 0.26592 0.11743 -0.56099 79 7D 0 0.00731 -0.01497 0.02057 0.01843 0.03516 80 7D+1 0.02926 -0.01643 0.02926 -0.02248 -0.01543 81 7D-1 0.04831 0.00186 0.03208 0.00077 0.01649 82 7D+2 0.00678 -0.05360 -0.01748 -0.01142 0.00520 83 7D-2 -0.00382 0.02078 -0.00997 -0.00761 -0.00259 84 8D 0 0.00425 -0.00666 0.00272 0.00093 0.01264 85 8D+1 0.01052 -0.00251 0.00448 -0.00373 -0.00470 86 8D-1 0.01133 -0.00077 0.00708 0.00032 0.00200 87 8D+2 0.00103 -0.01576 -0.00276 -0.00500 0.00063 88 8D-2 0.00155 0.00444 -0.00253 0.00071 -0.00382 89 5 Cu 1S -0.00417 -0.00328 0.00002 -0.00055 -0.00012 90 2S -0.11305 -0.10781 0.00096 -0.03714 -0.00538 91 3S -0.15129 -0.75887 0.01230 -0.67690 -0.02709 92 4PX 0.01076 0.00024 -0.05012 -0.00105 0.00365 93 4PY -0.04568 0.00143 -0.01035 -0.00669 0.00059 94 4PZ -0.00819 0.00949 0.00750 -0.01247 -0.00097 95 5PX -0.05884 0.00319 0.23504 0.01595 -0.02397 96 5PY 0.22690 -0.02351 0.04861 0.05223 -0.00599 97 5PZ 0.00359 -0.03506 -0.03614 0.16389 0.00779 98 6PX -0.15660 0.18042 0.78068 0.07561 -1.09612 99 6PY 0.94417 -0.81356 0.17118 0.30030 -0.16131 100 6PZ 0.58956 0.07914 -0.12102 0.90692 0.24032 101 7D 0 0.00451 -0.00608 0.00769 -0.05884 -0.00877 102 7D+1 0.00892 -0.00823 -0.02685 -0.01032 0.02803 103 7D-1 -0.02924 0.02013 -0.00405 -0.01529 0.01205 104 7D+2 0.00971 0.01222 0.00071 -0.01086 0.01957 105 7D-2 -0.00246 0.00819 -0.01231 -0.00674 -0.03401 106 8D 0 0.00177 -0.00336 0.00021 -0.01337 -0.00159 107 8D+1 0.00091 -0.00271 -0.00024 -0.00253 0.00443 108 8D-1 -0.00325 0.00542 0.00030 -0.00370 0.00215 109 8D+2 0.00440 0.00451 0.00099 -0.00065 0.00289 110 8D-2 0.00120 0.00278 -0.00247 -0.00077 -0.00451 111 6 Cu 1S 0.00004 -0.00682 0.00010 0.00306 -0.00001 112 2S 0.00144 -0.18386 0.00305 0.06682 0.00033 113 3S 0.00367 -0.48099 0.00928 0.58636 0.00048 114 4PX 0.00038 -0.00241 -0.00019 0.00051 -0.00113 115 4PY 0.01008 0.01007 -0.00032 -0.00213 -0.00023 116 4PZ 0.04437 -0.00195 0.00016 0.00034 0.00018 117 5PX -0.00178 -0.00134 0.00107 -0.00265 -0.02810 118 5PY -0.04954 0.00544 0.00031 0.01085 -0.00677 119 5PZ -0.21737 -0.00257 -0.00043 -0.00160 0.00239 120 6PX -0.00734 -0.25974 0.01315 -0.05604 -2.11063 121 6PY -0.21049 1.02353 -0.02076 0.18667 -0.47565 122 6PZ -0.88665 -0.25410 0.00186 -0.06163 0.20661 123 7D 0 -0.01570 0.01479 -0.00050 0.01764 0.01029 124 7D+1 -0.00570 -0.00294 -0.00012 -0.00371 -0.03948 125 7D-1 -0.01187 0.01186 -0.00048 0.01461 -0.01354 126 7D+2 0.01176 0.02479 -0.00079 0.03057 -0.03139 127 7D-2 0.00368 0.01288 -0.00038 0.01601 0.05154 128 8D 0 0.00004 0.00677 -0.00016 0.00338 0.00125 129 8D+1 0.00051 -0.00130 0.00001 -0.00068 -0.00518 130 8D-1 -0.00551 0.00535 -0.00016 0.00272 -0.00210 131 8D+2 0.00219 0.01139 -0.00030 0.00579 -0.00542 132 8D-2 0.00055 0.00586 -0.00010 0.00301 0.00956 133 7 Cu 1S 0.00177 -0.00329 -0.00002 -0.00057 0.00153 134 2S 0.04846 -0.10601 -0.00031 -0.03431 0.08679 135 3S 0.07116 -0.73726 0.00713 -0.66207 0.48745 136 4PX -0.00237 -0.00835 0.02084 0.01339 -0.00947 137 4PY 0.01333 -0.00350 -0.00523 0.00079 0.00203 138 4PZ -0.02586 -0.00431 -0.04747 0.00505 -0.00634 139 5PX -0.00103 0.04090 -0.09674 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-0.04201 3 3S 0.01922 -0.05747 0.01825 1.88388 -0.87717 4 4PX 0.00015 0.00009 -0.00185 0.00093 0.00291 5 4PY 0.00198 0.00021 -0.00033 -0.00389 -0.01491 6 4PZ 0.00652 0.00201 0.00016 0.00114 0.00065 7 5PX -0.00166 -0.00180 0.00127 0.01575 -0.00591 8 5PY -0.01081 0.00553 -0.00115 -0.06240 0.03777 9 5PZ -0.04232 -0.00051 -0.00070 0.01371 0.00512 10 6PX 0.12854 -0.02891 -0.99130 -0.41351 0.44546 11 6PY 0.75069 0.17409 -0.21671 1.83637 -1.22981 12 6PZ 3.13347 1.08907 0.00977 -0.37225 0.74315 13 7D 0 0.02583 0.01159 -0.00330 -0.03534 0.01704 14 7D+1 0.01137 0.00542 0.00720 0.00688 -0.00249 15 7D-1 -0.00890 -0.00389 0.00061 -0.02867 0.01191 16 7D+2 -0.00959 -0.00288 -0.00265 -0.05965 0.02418 17 7D-2 -0.00480 -0.00056 0.00914 -0.03086 0.01226 18 8D 0 0.00767 0.00528 -0.00135 -0.01253 0.00707 19 8D+1 0.00374 0.00249 0.00255 0.00251 -0.00120 20 8D-1 -0.00582 -0.00317 0.00007 -0.01032 0.00530 21 8D+2 -0.00147 -0.00051 -0.00193 -0.02143 0.01116 22 8D-2 -0.00117 0.00002 0.00524 -0.01111 0.00570 23 2 Cu 1S 0.00085 0.00094 0.00109 -0.00367 -0.00184 24 2S 0.05020 0.05724 0.07246 -0.05522 -0.05523 25 3S 0.28551 0.62105 0.78139 -0.78223 -0.83327 26 4PX 0.00629 -0.00804 -0.00455 0.02279 0.01502 27 4PY 0.00513 -0.00251 0.00038 0.01240 -0.04871 28 4PZ -0.00238 0.00015 0.00802 -0.02223 0.00593 29 5PX -0.05202 0.00005 -0.02558 -0.09399 -0.04884 30 5PY -0.00929 0.03518 0.02865 -0.07798 0.21186 31 5PZ 0.01264 0.01917 -0.01497 0.10063 -0.03645 32 6PX -1.17573 -0.09502 -0.41175 -0.05872 0.23006 33 6PY -0.86200 0.56354 0.59343 -0.73671 -0.09258 34 6PZ -0.02635 0.19451 -0.21248 0.36217 -0.25327 35 7D 0 -0.00727 -0.01837 -0.01272 -0.01159 0.01413 36 7D+1 0.00586 -0.00352 0.01447 0.01050 -0.00358 37 7D-1 -0.02445 0.01879 -0.01348 0.00718 0.00097 38 7D+2 0.03130 -0.02680 -0.01107 -0.01338 0.02106 39 7D-2 -0.02172 -0.00608 -0.03423 -0.01981 0.02370 40 8D 0 -0.00326 -0.00523 -0.00535 -0.00060 0.00775 41 8D+1 -0.00010 -0.00308 -0.00078 0.00573 0.00016 42 8D-1 -0.00214 0.00352 -0.00126 0.00340 -0.00037 43 8D+2 0.00472 -0.00455 -0.00229 -0.00154 0.00804 44 8D-2 -0.00646 -0.00515 -0.01083 -0.00255 0.01217 45 3 Cu 1S 0.00005 -0.00102 -0.00135 -0.00196 -0.00093 46 2S -0.04035 -0.10172 -0.13618 -0.09943 0.03988 47 3S -0.57828 -1.34234 -1.78933 -0.41701 0.69873 48 4PX -0.03348 0.00792 -0.00185 -0.00791 -0.04216 49 4PY -0.01423 0.01643 0.01469 0.00272 0.03379 50 4PZ -0.02824 0.00115 -0.01640 0.00607 0.01623 51 5PX 0.14437 -0.04023 0.07429 0.08730 0.22600 52 5PY 0.09046 -0.05267 -0.00318 -0.12339 -0.23835 53 5PZ 0.07290 -0.08946 0.05859 -0.02154 -0.06271 54 6PX 1.76753 -0.12664 0.45503 1.34635 -0.00595 55 6PY -1.14099 -0.87032 -0.73156 0.09252 -0.71327 56 6PZ 0.11292 -0.27550 0.54109 -1.10104 0.25159 57 7D 0 -0.00490 -0.03013 0.01931 0.01009 -0.00534 58 7D+1 0.02430 0.00960 -0.00367 -0.01254 -0.01219 59 7D-1 0.00128 -0.01665 -0.01896 0.03369 0.00638 60 7D+2 0.02234 -0.00181 -0.02799 0.04364 0.00636 61 7D-2 0.00954 0.02046 0.00263 -0.00888 -0.01024 62 8D 0 -0.00332 -0.00676 0.00830 0.00607 -0.00361 63 8D+1 0.00804 0.00725 0.00373 -0.00054 -0.00500 64 8D-1 0.00134 -0.00432 -0.00268 0.00567 0.00078 65 8D+2 0.00416 0.00096 -0.00771 0.01043 -0.00035 66 8D-2 0.00597 0.00746 0.00409 0.00481 -0.00587 67 4 Cu 1S 0.00008 -0.00074 0.00151 -0.00199 -0.00091 68 2S -0.03339 -0.06645 0.15481 -0.09918 0.04168 69 3S -0.48440 -0.87460 2.03856 -0.40883 0.72236 70 4PX 0.02656 -0.01083 0.01172 0.00761 0.02843 71 4PY -0.00228 0.00850 -0.01584 0.00586 0.04854 72 4PZ -0.04062 0.00732 0.01367 0.00332 0.00604 73 5PX -0.13354 0.04251 0.03779 -0.03275 -0.12181 74 5PY 0.02916 -0.03086 0.03710 -0.14740 -0.31029 75 5PZ 0.13186 -0.11296 -0.05073 -0.00136 -0.01246 76 6PX -0.95462 0.38418 -0.13490 -1.54200 0.32736 77 6PY -1.43779 -0.49564 0.96937 -0.52889 -0.74250 78 6PZ 0.61576 -0.46953 -0.49907 -0.62034 0.18808 79 7D 0 0.00551 -0.02540 -0.00554 0.00899 -0.00976 80 7D+1 -0.02596 -0.02363 -0.01968 -0.00572 0.00423 81 7D-1 -0.01146 -0.01398 0.01215 0.02558 0.00542 82 7D+2 0.01451 0.01458 0.00839 0.01975 -0.00171 83 7D-2 0.00564 -0.01441 0.02905 0.04671 0.01440 84 8D 0 0.00019 -0.00469 -0.00740 0.00639 -0.00572 85 8D+1 -0.00956 -0.00903 -0.00110 -0.00183 0.00276 86 8D-1 -0.00157 -0.00523 0.00203 0.00518 0.00072 87 8D+2 0.00457 0.00492 0.00098 0.00976 -0.00358 88 8D-2 -0.00173 -0.00413 0.01033 0.00584 0.00448 89 5 Cu 1S -0.00167 -0.00142 0.00016 -0.00363 -0.00175 90 2S -0.09317 -0.09360 0.01031 -0.05453 -0.05631 91 3S -0.51417 -0.99158 0.11466 -0.79384 -0.89324 92 4PX -0.00005 0.00193 0.00643 0.00041 0.01189 93 4PY -0.00806 0.00240 0.00117 0.01856 -0.04536 94 4PZ -0.00949 0.00960 -0.00219 0.02883 0.01824 95 5PX 0.01164 0.00662 -0.03299 0.00333 -0.04999 96 5PY 0.01295 -0.03844 -0.00206 -0.10366 0.20246 97 5PZ 0.08278 0.02431 0.00210 -0.11813 -0.05860 98 6PX 0.00441 0.17893 -0.39075 0.13531 -0.00423 99 6PY 1.37252 -0.73850 0.00347 -0.83248 0.22603 100 6PZ 1.47410 0.43373 0.00682 -0.15817 0.43001 101 7D 0 -0.02457 0.01364 -0.00444 -0.00887 0.00683 102 7D+1 -0.00983 -0.00671 0.01011 0.00429 -0.00521 103 7D-1 0.00696 0.03644 0.00258 -0.02487 0.02257 104 7D+2 -0.00121 0.02327 0.01217 -0.00592 0.01693 105 7D-2 0.00367 0.01167 -0.03156 -0.00646 0.01090 106 8D 0 -0.00686 -0.00216 -0.00022 -0.00398 0.00099 107 8D+1 -0.00389 -0.00405 0.00208 -0.00023 -0.00353 108 8D-1 0.00709 0.01161 -0.00034 -0.00530 0.01179 109 8D+2 0.00141 0.00744 0.00139 0.00266 0.00851 110 8D-2 0.00219 0.00448 -0.00516 0.00035 0.00556 111 6 Cu 1S -0.00005 0.00007 -0.00003 -0.00429 0.00052 112 2S 0.00131 -0.00195 0.00038 0.10727 0.07381 113 3S 0.01709 -0.03843 0.00969 2.46613 1.46427 114 4PX -0.00027 0.00059 0.02067 0.00420 0.01700 115 4PY -0.00015 -0.00449 0.00498 -0.01739 -0.07027 116 4PZ -0.00064 -0.02031 -0.00053 0.00365 0.01550 117 5PX 0.00049 -0.00312 -0.08231 0.02464 -0.07462 118 5PY -0.00915 0.02079 -0.02084 -0.09887 0.30989 119 5PZ -0.02935 0.07828 0.00222 0.02372 -0.06740 120 6PX -0.09697 0.01704 0.92560 0.35291 0.05468 121 6PY -0.50924 -0.20009 0.21193 -1.45577 -0.32208 122 6PZ -2.06649 -1.01204 -0.03359 0.32265 0.01151 123 7D 0 0.00060 -0.05873 0.01812 -0.02386 -0.00023 124 7D+1 -0.00623 -0.02954 -0.04065 0.00444 0.00073 125 7D-1 0.06597 0.02803 -0.00349 -0.01872 -0.00247 126 7D+2 -0.03073 0.01625 0.01453 -0.03780 -0.00225 127 7D-2 -0.00612 0.00487 -0.05516 -0.01985 -0.00168 128 8D 0 -0.00147 -0.01032 0.00280 -0.00835 -0.00375 129 8D+1 -0.00164 -0.00537 -0.00578 0.00160 0.00099 130 8D-1 0.01095 0.00718 -0.00033 -0.00670 -0.00375 131 8D+2 -0.00456 0.00210 0.00359 -0.01381 -0.00712 132 8D-2 -0.00082 0.00062 -0.01133 -0.00726 -0.00383 133 7 Cu 1S 0.00071 0.00061 -0.00128 -0.00369 -0.00185 134 2S 0.04251 0.03789 -0.08291 -0.05497 -0.05570 135 3S 0.24050 0.41153 -0.90577 -0.76974 -0.83139 136 4PX -0.00715 0.00634 -0.00810 -0.03104 0.00792 137 4PY 0.00197 0.00017 -0.00245 0.00108 -0.05036 138 4PZ 0.00054 -0.00350 -0.00578 -0.01390 0.00746 139 5PX 0.04625 -0.01043 -0.00416 0.14168 -0.05109 140 5PY 0.00942 0.02318 -0.04391 -0.02825 0.21162 141 5PZ -0.00741 0.02317 0.01462 0.06449 -0.03840 142 6PX 1.22669 -0.12133 -0.03493 0.45431 -0.20305 143 6PY -0.29017 0.39849 -0.80952 -0.64026 -0.22583 144 6PZ -0.54380 0.22796 0.23109 0.26686 -0.15258 145 7D 0 -0.00339 -0.01559 0.01129 -0.00581 0.01332 146 7D+1 -0.00348 -0.00492 0.00532 -0.00981 0.00071 147 7D-1 -0.03804 0.02386 0.01877 -0.00168 0.00582 148 7D+2 0.00724 -0.01672 0.03781 -0.02698 0.03250 149 7D-2 0.02836 -0.01246 -0.00540 0.00301 0.00125 150 8D 0 -0.00254 -0.00453 0.00690 0.00233 0.00779 151 8D+1 -0.00084 0.00019 -0.00094 -0.00507 -0.00009 152 8D-1 -0.00504 0.00393 0.00254 0.00040 0.00188 153 8D+2 -0.00092 -0.00444 0.01032 -0.00469 0.01445 154 8D-2 0.00636 -0.00008 -0.00513 0.00043 -0.00197 155 8 Cu 1S -0.00004 0.00173 -0.00015 -0.00192 -0.00097 156 2S 0.06887 0.17348 -0.02016 -0.09732 0.03229 157 3S 1.00977 2.26513 -0.26691 -0.39126 0.58559 158 4PX 0.00478 0.00276 -0.01486 -0.00147 -0.01310 159 4PY 0.00339 -0.02375 -0.00032 -0.00015 0.02796 160 4PZ 0.01696 -0.00590 0.00287 -0.01068 -0.04664 161 5PX 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0.01199 5 4PY -0.00905 -0.01121 -0.01082 -0.01263 0.00367 6 4PZ -0.04713 -0.00013 -0.05213 -0.00096 0.00069 7 5PX -0.01352 0.24593 -0.02652 0.38699 -0.08788 8 5PY 0.04911 0.05965 0.07858 0.09527 -0.03458 9 5PZ 0.24418 0.00112 0.39550 0.00730 -0.00358 10 6PX -0.37318 7.39752 0.23960 -4.28246 -0.20943 11 6PY 1.70955 1.81428 -0.85292 -1.04476 0.05888 12 6PZ 7.61579 -0.06643 -4.31071 -0.02626 -0.12254 13 7D 0 0.03299 0.01116 -0.01333 -0.01437 -0.00055 14 7D+1 0.01769 -0.02284 -0.00546 0.04486 -0.00330 15 7D-1 -0.01368 -0.00299 -0.05240 0.00649 -0.00001 16 7D+2 -0.01270 0.00766 0.02710 0.02565 -0.00879 17 7D-2 -0.00297 -0.03154 0.01067 -0.02851 0.01719 18 8D 0 0.00643 0.00180 0.00074 -0.00152 -0.00039 19 8D+1 0.00369 -0.00297 0.00069 0.00624 -0.00138 20 8D-1 -0.00525 -0.00036 -0.01148 0.00092 -0.00013 21 8D+2 -0.00184 0.00269 0.00412 0.00568 -0.00387 22 8D-2 -0.00030 -0.00809 0.00187 -0.00863 0.00698 23 2 Cu 1S -0.00085 0.00121 -0.00184 0.00220 -0.00170 24 2S 0.00792 -0.00399 0.03711 -0.04650 -0.00535 25 3S 0.57079 -0.59177 1.23391 -1.54656 0.53955 26 4PX -0.03203 0.00744 -0.02895 0.05579 -0.00494 27 4PY -0.01557 0.00709 0.02676 -0.02192 0.02183 28 4PZ -0.00508 -0.03598 0.03483 -0.01351 -0.00214 29 5PX 0.14688 -0.01172 0.11309 -0.25788 -0.03174 30 5PY 0.06476 -0.01025 -0.12446 0.08798 -0.04957 31 5PZ 0.05641 0.16338 -0.17503 0.04319 0.03375 32 6PX -1.05480 -0.00199 0.09018 0.04868 -1.11888 33 6PY -1.82539 1.58983 1.65890 -2.00946 -1.25902 34 6PZ 0.07497 -1.77989 -0.50572 0.91126 0.60683 35 7D 0 -0.02884 -0.04098 -0.01951 0.00344 0.00432 36 7D+1 -0.00200 0.01824 -0.00231 0.01281 -0.01180 37 7D-1 0.00420 -0.00682 -0.00466 -0.00676 -0.00257 38 7D+2 0.03198 -0.01192 0.00531 0.01312 0.02405 39 7D-2 0.02305 0.00088 -0.01406 0.02050 -0.00822 40 8D 0 -0.00573 -0.00675 -0.00523 0.00206 -0.00286 41 8D+1 -0.00215 0.00605 -0.00733 0.00994 -0.00400 42 8D-1 -0.00104 -0.00045 -0.00036 -0.00031 0.00125 43 8D+2 0.00606 -0.00179 0.00300 -0.00102 0.00252 44 8D-2 0.00318 -0.00027 -0.00425 0.00695 -0.00796 45 3 Cu 1S 0.00026 -0.00022 -0.00308 0.00380 0.00233 46 2S 0.04949 -0.06723 -0.03514 0.04527 -0.05682 47 3S 0.77291 -1.06602 0.00982 0.03813 -1.35344 48 4PX -0.01273 0.00419 0.01981 -0.01388 -0.00195 49 4PY -0.01694 0.01026 -0.03249 0.04524 -0.01524 50 4PZ -0.00129 -0.02079 0.01070 0.00222 -0.00277 51 5PX 0.03019 0.04846 -0.12931 0.13881 0.07203 52 5PY 0.11689 -0.07020 0.18663 -0.23955 0.15391 53 5PZ 0.05118 0.08573 -0.00240 -0.02714 0.00615 54 6PX 1.76748 -2.99291 -2.16763 3.19657 2.13862 55 6PY -3.01249 3.37921 3.02078 -3.50695 2.53240 56 6PZ -1.01363 0.16608 0.91756 -0.55277 -1.08193 57 7D 0 -0.01644 -0.00764 -0.01079 -0.00724 -0.00135 58 7D+1 0.00026 -0.01664 -0.00529 -0.00509 -0.00141 59 7D-1 0.01101 0.02731 0.01479 0.01208 0.00408 60 7D+2 -0.02623 0.00929 -0.00943 -0.00574 -0.01866 61 7D-2 0.02027 0.01080 0.01047 0.01109 -0.03089 62 8D 0 -0.00019 0.00174 0.00076 -0.00001 0.00550 63 8D+1 -0.00253 -0.00170 -0.00478 0.00051 0.00337 64 8D-1 0.00275 0.00555 0.00405 0.00438 -0.00057 65 8D+2 -0.00589 -0.00045 -0.00277 -0.00479 -0.00333 66 8D-2 0.00213 0.00241 0.00280 0.00102 -0.00091 67 4 Cu 1S 0.00017 0.00031 -0.00173 -0.00462 -0.00297 68 2S 0.02949 0.07792 -0.02055 -0.05380 0.07164 69 3S 0.45867 1.22231 -0.00941 -0.02164 1.70827 70 4PX 0.01281 0.01752 -0.00355 0.00462 -0.00565 71 4PY -0.00764 -0.01063 -0.01974 -0.05638 0.01604 72 4PZ -0.01067 0.01609 0.01289 0.00317 0.00024 73 5PX -0.05234 -0.02347 0.02683 0.04349 0.12136 74 5PY 0.06615 0.11278 0.12016 0.33132 -0.13851 75 5PZ 0.08711 -0.07226 -0.02373 -0.00539 0.01584 76 6PX -0.22535 -1.43134 0.43261 1.79244 3.54585 77 6PY -2.20585 -5.01139 2.09672 5.43082 -1.65746 78 6PZ -0.75279 0.25995 0.47292 -0.01953 1.13384 79 7D 0 -0.01662 0.00580 -0.01308 0.00344 0.01153 80 7D+1 -0.01053 0.00188 -0.00698 0.00197 -0.00058 81 7D-1 0.02540 -0.02387 0.02209 -0.00859 0.00184 82 7D+2 -0.00155 -0.01340 0.00048 -0.00255 0.03872 83 7D-2 -0.02567 -0.01736 -0.01105 0.00412 -0.00939 84 8D 0 -0.00108 -0.00170 -0.00115 -0.00084 -0.00512 85 8D+1 0.00161 0.00065 0.00218 0.00179 0.00167 86 8D-1 0.00646 -0.00454 0.00771 -0.00238 0.00096 87 8D+2 -0.00192 -0.00145 -0.00040 0.00330 0.00254 88 8D-2 -0.00428 -0.00126 -0.00282 0.00223 0.00304 89 5 Cu 1S 0.00153 0.00028 0.00276 0.00047 -0.00050 90 2S -0.00287 -0.00057 -0.05903 -0.00975 -0.00179 91 3S -0.71994 -0.11466 -1.96175 -0.33359 0.12864 92 4PX 0.00398 -0.03293 0.01139 0.02496 0.00126 93 4PY 0.02655 -0.00300 -0.02213 0.00108 0.00553 94 4PZ 0.02943 0.00926 0.07272 0.00856 -0.00215 95 5PX -0.02545 0.18057 -0.04433 -0.14402 -0.00583 96 5PY -0.09500 0.02251 0.09525 -0.01210 -0.01475 97 5PZ -0.11447 -0.04351 -0.32085 -0.03242 -0.00639 98 6PX -0.22172 -1.39545 0.49270 0.29104 -0.76509 99 6PY 2.69332 0.07606 -2.71860 -0.39043 -0.56340 100 6PZ 0.89587 0.32029 -0.18337 -0.06141 -0.15787 101 7D 0 -0.02379 -0.01583 -0.01004 -0.00644 0.00444 102 7D+1 -0.00575 0.04789 -0.01268 0.01659 0.00755 103 7D-1 -0.02042 0.00395 0.02007 0.00782 0.00490 104 7D+2 -0.02179 -0.00584 0.01431 0.00642 0.00968 105 7D-2 -0.01606 0.02092 0.01004 -0.00059 -0.01599 106 8D 0 -0.00640 -0.00332 -0.01241 -0.00282 0.00149 107 8D+1 -0.00156 0.00886 -0.00548 0.00226 0.00150 108 8D-1 -0.00564 0.00072 0.00343 0.00114 -0.00091 109 8D+2 -0.00195 -0.00018 0.00623 0.00112 0.00075 110 8D-2 -0.00210 0.00269 0.00320 0.00147 -0.00307 111 6 Cu 1S 0.00000 0.00002 -0.00009 -0.00003 -0.00015 112 2S -0.00349 -0.00142 0.00075 0.00022 -0.00033 113 3S -0.07625 -0.03417 0.04028 0.01621 0.03366 114 4PX -0.00116 0.00107 -0.00341 0.05459 0.01804 115 4PY 0.00399 0.00161 0.01109 0.01326 0.00465 116 4PZ -0.00010 -0.00005 0.05462 0.00068 0.00078 117 5PX 0.00503 0.00286 0.01896 -0.29864 -0.06635 118 5PY -0.01706 -0.00501 -0.06241 -0.07340 -0.01916 119 5PZ 0.00816 0.00010 -0.29733 -0.00356 -0.00265 120 6PX -0.00003 -0.88376 -0.12449 2.11092 -3.45789 121 6PY -0.20518 -0.19743 0.44683 0.51947 -0.85483 122 6PZ -0.97165 0.04342 2.12586 0.01816 -0.11946 123 7D 0 0.01519 0.00251 0.02420 0.00672 -0.00271 124 7D+1 0.00854 0.00030 0.01354 -0.00817 -0.00216 125 7D-1 -0.02458 0.00051 -0.02213 -0.00065 0.00020 126 7D+2 0.00250 0.01316 -0.00241 0.01148 -0.01481 127 7D-2 0.00223 -0.02858 0.00115 -0.03082 0.03103 128 8D 0 0.00737 0.00210 0.00840 0.00203 0.00036 129 8D+1 0.00382 -0.00305 0.00476 -0.00187 -0.00125 130 8D-1 -0.00602 -0.00020 -0.00957 -0.00011 -0.00015 131 8D+2 -0.00056 0.00353 -0.00025 0.00491 -0.00077 132 8D-2 0.00034 -0.00925 0.00065 -0.01220 0.00077 133 7 Cu 1S -0.00042 -0.00141 -0.00102 -0.00271 0.00192 134 2S 0.00503 0.00764 0.02068 0.05541 0.00534 135 3S 0.32950 0.77716 0.67562 1.85475 -0.73923 136 4PX 0.02566 0.02815 0.00872 0.04945 0.00498 137 4PY -0.00191 -0.00063 0.02230 0.05269 -0.02735 138 4PZ -0.02336 0.02637 0.02558 0.00717 0.00393 139 5PX -0.11627 -0.09712 -0.02677 -0.22354 -0.06962 140 5PY 0.00527 -0.00753 -0.10088 -0.22942 0.03614 141 5PZ 0.13778 -0.11699 -0.14193 -0.02057 -0.03045 142 6PX 1.27536 1.54105 -0.53267 -1.23408 -1.85490 143 6PY -0.82540 -1.62866 0.83229 2.17605 0.73966 144 6PZ -0.78343 1.44004 -0.11965 -0.84204 -0.58388 145 7D 0 -0.03020 0.02045 -0.01506 -0.01560 0.00265 146 7D+1 -0.03139 0.01986 -0.00864 0.00962 -0.00835 147 7D-1 -0.00250 0.01434 -0.01160 0.00436 -0.00499 148 7D+2 0.02998 0.02176 0.00020 -0.02226 -0.01544 149 7D-2 0.00345 0.01673 0.00820 0.01067 -0.02512 150 8D 0 -0.00616 0.00124 -0.00550 -0.00876 0.00594 151 8D+1 -0.00460 0.00617 0.00063 0.00799 -0.00229 152 8D-1 -0.00178 0.00263 -0.00033 0.00193 -0.00129 153 8D+2 0.00545 0.00450 0.00085 -0.00194 0.00446 154 8D-2 0.00121 0.00303 0.00327 0.00829 -0.00897 155 8 Cu 1S -0.00026 -0.00002 0.00474 0.00078 0.00059 156 2S -0.08657 -0.01217 0.05501 0.00866 -0.01380 157 3S -1.36886 -0.19890 0.01412 -0.00254 -0.32823 158 4PX 0.00096 -0.01645 -0.01629 0.00960 -0.01077 159 4PY 0.01943 -0.00043 0.05291 0.01149 -0.00596 160 4PZ 0.01810 0.00531 -0.02341 -0.00564 0.00190 161 5PX 0.00709 0.11585 0.09055 -0.01042 0.12900 162 5PY -0.11156 0.00645 -0.27820 -0.05257 0.06357 163 5PZ -0.00296 -0.01853 0.20579 0.03769 -0.01042 164 6PX -1.29181 -1.04963 1.39166 0.74695 1.63823 165 6PY 4.12337 0.34415 -3.96280 -0.53372 0.94250 166 6PZ -3.91130 -0.38633 4.32410 0.62448 0.31507 167 7D 0 0.02469 0.00372 0.00117 0.00088 0.00507 168 7D+1 0.00430 0.00054 -0.00052 -0.00080 -0.01974 169 7D-1 -0.00067 -0.00611 0.00311 -0.00447 -0.00950 170 7D+2 0.01783 -0.01459 0.00340 -0.01213 -0.00338 171 7D-2 0.00046 0.03912 -0.00380 0.02696 -0.01250 172 8D 0 0.00131 0.00146 -0.00350 0.00086 0.00058 173 8D+1 0.00031 -0.00472 0.00033 -0.00487 -0.00700 174 8D-1 0.00062 -0.00195 -0.00202 -0.00250 -0.00062 175 8D+2 0.00461 -0.00286 0.00102 -0.00349 0.00089 176 8D-2 0.00086 0.00624 -0.00120 0.00603 -0.00425 177 9 C 1S 0.00130 0.00034 -0.00016 -0.00007 -0.00016 178 2S -0.00386 -0.00117 0.00074 0.00026 0.00076 179 3S -0.00404 0.00019 -0.00029 0.00013 0.00130 180 4PX 0.00994 -0.19155 0.00254 -0.02320 -0.06314 181 4PY -0.04286 -0.04680 -0.00512 -0.00570 -0.01440 182 4PZ -0.19122 0.00068 -0.02642 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-0.05069 7 5PX -0.01610 0.15010 0.07559 -0.02807 0.01063 8 5PY 0.04267 -0.61459 -0.31347 0.11314 0.04833 9 5PZ 0.08794 0.13890 0.06846 -0.02449 0.22253 10 6PX -0.01190 -1.77306 -0.90085 0.32534 0.02273 11 6PY -0.20755 7.33163 3.82160 -1.43485 -0.02203 12 6PZ 0.42821 -1.57890 -0.76134 0.30617 -0.49736 13 7D 0 0.00728 -0.00612 0.00653 -0.00153 -0.05409 14 7D+1 0.00416 0.00140 -0.00148 -0.00002 -0.01859 15 7D-1 -0.01709 -0.00530 0.00534 -0.00136 -0.03121 16 7D+2 0.00259 -0.01073 0.01032 -0.00232 0.03927 17 7D-2 0.00242 -0.00569 0.00538 -0.00129 0.01276 18 8D 0 0.00331 -0.01147 0.00128 0.00003 -0.01552 19 8D+1 0.00169 0.00244 -0.00025 -0.00013 -0.00562 20 8D-1 -0.00688 -0.00977 0.00086 0.00006 -0.00630 21 8D+2 0.00161 -0.01983 0.00190 0.00018 0.00996 22 8D-2 0.00129 -0.01039 0.00091 0.00005 0.00338 23 2 Cu 1S -0.00118 -0.00363 -0.00436 0.00139 -0.00081 24 2S -0.00370 -0.00331 -0.05483 0.01605 -0.06491 25 3S 0.53934 -0.79334 -1.68271 0.53083 -1.98004 26 4PX -0.00715 0.00733 0.00005 -0.00246 -0.00753 27 4PY 0.01713 -0.00314 0.00090 -0.00181 -0.01263 28 4PZ -0.00436 -0.00465 -0.00106 -0.00191 0.04297 29 5PX -0.02211 0.04392 0.04373 -0.00729 0.08416 30 5PY -0.03368 0.01026 -0.07974 0.03116 0.07396 31 5PZ 0.03891 -0.03588 -0.00315 0.00888 -0.31006 32 6PX -0.34081 0.29042 -0.46128 1.29881 -0.15796 33 6PY -0.67298 -2.72850 -0.96748 1.01046 -0.17997 34 6PZ 1.35181 0.99951 1.48492 1.09440 1.57347 35 7D 0 -0.00017 0.00399 -0.01779 0.00292 0.00688 36 7D+1 -0.01777 -0.01199 -0.04313 0.00112 -0.01773 37 7D-1 0.01723 -0.00601 -0.00426 0.02458 -0.00152 38 7D+2 0.00758 0.00428 -0.00575 -0.01570 0.00874 39 7D-2 0.00456 0.01049 -0.01572 0.01781 -0.01283 40 8D 0 -0.00351 0.00010 0.00072 -0.00017 0.00365 41 8D+1 -0.00466 -0.00041 -0.00306 -0.00015 -0.00314 42 8D-1 0.00379 0.00236 0.00039 0.00165 0.00132 43 8D+2 0.00030 0.00195 0.00187 -0.00206 0.00129 44 8D-2 -0.00497 -0.00136 0.00137 0.00060 0.00055 45 3 Cu 1S 0.00208 -0.00011 -0.00146 0.00043 -0.00101 46 2S -0.05033 0.01637 -0.00245 -0.00001 -0.00976 47 3S -1.20341 0.08999 0.74732 -0.25515 -0.36050 48 4PX 0.00776 -0.02519 0.01398 0.00387 -0.00742 49 4PY -0.00769 -0.01155 -0.00339 0.00565 -0.00412 50 4PZ 0.00900 0.02504 -0.00293 0.01039 0.00662 51 5PX -0.04835 0.15265 -0.01619 -0.02669 0.05896 52 5PY 0.07826 0.02152 -0.10508 0.01581 0.02803 53 5PZ -0.13380 -0.13442 0.02607 -0.04207 -0.02436 54 6PX 0.50513 1.02294 1.86988 -4.03475 2.24202 55 6PY 1.36179 0.19540 -2.21291 -1.20700 -4.09351 56 6PZ -2.69857 -1.11547 -2.71166 -3.73126 0.48033 57 7D 0 -0.02937 -0.00489 -0.01109 -0.02893 -0.02540 58 7D+1 0.00742 -0.02932 -0.00240 0.00705 0.02022 59 7D-1 0.00340 -0.00640 -0.02509 0.00979 -0.02866 60 7D+2 -0.00469 0.01054 -0.01683 0.01454 -0.01427 61 7D-2 -0.01509 -0.00147 0.01879 0.00944 -0.01007 62 8D 0 -0.00477 -0.00104 0.00006 -0.00126 -0.00582 63 8D+1 0.00501 -0.00795 0.00111 0.00037 0.00523 64 8D-1 0.00083 -0.00673 -0.00740 0.00199 -0.00700 65 8D+2 0.00019 -0.00097 -0.00581 0.00237 -0.00423 66 8D-2 0.00360 0.00320 0.00594 -0.00161 -0.00515 67 4 Cu 1S 0.00103 -0.00009 -0.00144 0.00046 -0.00082 68 2S -0.02541 0.01497 -0.00283 0.00138 -0.00746 69 3S -0.60857 0.05692 0.73945 -0.21922 -0.26422 70 4PX -0.00382 0.03398 -0.00895 0.00704 0.00806 71 4PY -0.00392 0.00048 -0.00974 0.00150 -0.00056 72 4PZ 0.01108 0.01520 -0.00595 -0.01070 0.00312 73 5PX 0.02099 -0.18269 0.05337 -0.03014 -0.05605 74 5PY 0.03339 -0.04571 -0.08260 0.03322 0.00165 75 5PZ -0.13985 -0.08071 0.03874 0.03474 0.00261 76 6PX -0.40923 -1.43238 -2.87793 -1.43369 -0.23285 77 6PY 0.40415 -0.25973 -2.53952 1.45725 -3.80712 78 6PZ -2.11769 -0.55500 0.76412 5.27677 0.76203 79 7D 0 -0.01971 -0.01726 -0.00094 0.02405 -0.01540 80 7D+1 -0.01923 0.02136 0.02025 0.01873 -0.01324 81 7D-1 -0.00455 0.00223 -0.01413 0.00505 -0.03355 82 7D+2 -0.00335 0.01192 -0.00135 -0.01335 -0.01250 83 7D-2 0.00221 0.01172 -0.02753 0.01198 -0.00984 84 8D 0 -0.00380 -0.00525 0.00006 0.00085 -0.00327 85 8D+1 -0.00690 0.00765 0.00270 -0.00004 -0.00242 86 8D-1 -0.00033 -0.00222 -0.00408 0.00190 -0.00884 87 8D+2 0.00222 0.00442 0.00121 -0.00104 -0.00511 88 8D-2 -0.00179 -0.00317 -0.00992 0.00305 -0.00131 89 5 Cu 1S 0.00228 -0.00350 -0.00428 0.00135 0.00148 90 2S 0.00830 -0.00303 -0.05455 0.01704 0.11787 91 3S -0.67448 -0.82698 -1.69636 0.57216 3.49415 92 4PX 0.00702 0.00189 0.00103 0.00271 -0.00421 93 4PY -0.02579 -0.00275 0.00039 0.00063 0.04654 94 4PZ 0.00810 0.00902 -0.00028 -0.00073 0.05041 95 5PX -0.00839 0.00365 0.01790 -0.01460 0.01769 96 5PY 0.06673 0.02383 -0.06957 0.01846 -0.30651 97 5PZ 0.04548 0.05771 0.05636 -0.01810 -0.40197 98 6PX -0.32281 0.57212 -0.42275 -1.88308 -0.06226 99 6PY 1.82254 -2.77436 -1.41360 0.13438 1.21618 100 6PZ 1.42479 0.16169 -0.91430 0.59322 1.72363 101 7D 0 -0.03149 0.00723 0.03118 -0.01342 -0.03645 102 7D+1 -0.00483 -0.00088 0.01756 0.00794 -0.00981 103 7D-1 -0.00282 0.01583 -0.00114 0.00761 0.00217 104 7D+2 -0.00656 -0.00243 -0.02673 0.02177 0.00406 105 7D-2 -0.00744 0.00068 -0.02153 -0.02051 0.00358 106 8D 0 -0.00835 0.00174 0.00292 -0.00126 -0.00577 107 8D+1 -0.00405 0.00043 0.00056 0.00115 -0.00005 108 8D-1 0.00760 -0.00124 0.00256 -0.00005 -0.00326 109 8D+2 0.00259 0.00201 0.00083 0.00074 -0.00275 110 8D-2 0.00174 0.00061 0.00003 -0.00206 -0.00164 111 6 Cu 1S 0.00032 -0.00632 -0.00610 0.00198 -0.00002 112 2S 0.00056 -0.06349 0.08007 -0.02362 0.00108 113 3S -0.07561 0.09109 4.19918 -1.32502 0.05942 114 4PX 0.00171 -0.00047 -0.00276 0.00121 -0.00084 115 4PY -0.00389 0.00071 0.01080 -0.00341 -0.00617 116 4PZ -0.01880 -0.00082 -0.00315 0.00079 -0.02515 117 5PX -0.00729 0.01050 0.05901 -0.02073 0.00688 118 5PY 0.01868 -0.03799 -0.23833 0.07647 0.03931 119 5PZ 0.06971 0.01088 0.05700 -0.01722 0.17524 120 6PX -0.29729 0.03788 -0.26227 0.07539 -0.16957 121 6PY 0.66587 0.02668 1.23398 -0.37225 -0.89265 122 6PZ 3.44084 0.11136 -0.19297 0.06012 -3.80532 123 7D 0 0.01604 -0.01481 0.01897 -0.00531 -0.00824 124 7D+1 0.00910 0.00327 -0.00357 0.00086 -0.00375 125 7D-1 -0.02831 -0.01293 0.01459 -0.00406 0.00083 126 7D+2 0.00304 -0.02424 0.03321 -0.00920 0.00394 127 7D-2 0.00368 -0.01307 0.01668 -0.00473 0.00149 128 8D 0 -0.00035 -0.00223 -0.00045 0.00023 0.00094 129 8D+1 -0.00022 0.00043 0.00006 -0.00007 0.00040 130 8D-1 -0.00130 -0.00178 -0.00034 0.00022 -0.00008 131 8D+2 0.00079 -0.00352 -0.00043 0.00034 -0.00042 132 8D-2 0.00035 -0.00186 -0.00034 0.00013 -0.00022 133 7 Cu 1S -0.00049 -0.00367 -0.00442 0.00138 -0.00068 134 2S -0.00132 -0.00327 -0.05422 0.01717 -0.05303 135 3S 0.28177 -0.78409 -1.64253 0.56767 -1.60729 136 4PX -0.00030 -0.00652 -0.00206 -0.00075 0.01701 137 4PY 0.00889 -0.00557 0.00145 0.00039 -0.00421 138 4PZ -0.00441 -0.00251 0.00054 0.00320 0.03697 139 5PX 0.02080 -0.05232 -0.00030 0.00802 -0.13935 140 5PY -0.00816 -0.01108 -0.09199 0.02635 0.00740 141 5PZ 0.02105 -0.02132 0.00159 -0.01016 -0.25684 142 6PX 0.23878 1.17234 1.66783 0.25101 0.43594 143 6PY -0.10326 -2.57414 -0.74488 0.11141 -0.00790 144 6PZ 0.99908 0.79300 0.20798 -1.97665 1.45919 145 7D 0 -0.00547 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6PY -3.17930 0.43799 -0.87518 1.47792 7.24414 166 6PZ -2.76073 1.24832 2.93592 -1.89170 -3.81885 167 7D 0 0.00498 0.02755 -0.01259 0.01161 0.04414 168 7D+1 -0.01372 0.00602 -0.01373 -0.02723 -0.00105 169 7D-1 0.03351 0.01122 0.02090 -0.01010 0.01548 170 7D+2 0.01832 -0.00999 -0.02208 0.00969 0.04514 171 7D-2 0.01165 -0.00307 -0.01146 -0.01570 0.02290 172 8D 0 0.00643 0.00404 -0.00614 0.00223 0.01088 173 8D+1 0.00046 0.00068 -0.00271 -0.00071 -0.00118 174 8D-1 -0.00016 0.00732 0.00673 -0.00256 0.00742 175 8D+2 -0.00094 -0.00700 -0.00556 0.00164 0.01187 176 8D-2 -0.00131 -0.00185 -0.00118 0.00023 0.00664 177 9 C 1S 0.00039 0.00106 -0.00694 0.00169 -0.00020 178 2S -0.00180 0.02585 0.01767 -0.00525 0.00087 179 3S -0.00267 -0.03435 0.07408 -0.01763 0.00060 180 4PX -0.00432 -0.01329 -0.00578 0.00196 -0.00501 181 4PY 0.01047 0.05828 0.02734 -0.00937 -0.02559 182 4PZ 0.06225 -0.01202 -0.00428 0.00154 -0.10994 183 5PX -0.00807 0.08279 0.03619 -0.01373 -0.00308 184 5PY 0.02623 -0.33455 -0.14490 0.05505 -0.02238 185 5PZ 0.06552 0.07836 0.03507 -0.01317 -0.07348 186 10 O 1S 0.00098 -0.03421 -0.00690 0.00310 -0.00011 187 2S -0.00325 0.10994 0.02577 -0.01108 0.00043 188 3S -0.00227 0.11135 -0.00888 -0.00060 -0.00048 189 4PX -0.00227 0.00463 0.00641 -0.00300 0.00373 190 4PY 0.00585 -0.01766 -0.02793 0.00849 0.02317 191 4PZ 0.02163 0.00377 0.00591 -0.00127 0.10075 192 5PX -0.00002 0.01638 0.00849 -0.00347 0.00341 193 5PY 0.00087 -0.06821 -0.03714 0.01281 0.01815 194 5PZ -0.00987 0.01495 0.00757 -0.00238 0.08009 116 117 118 119 120 V V V V V EIGENVALUES -- 0.09234 0.11232 0.11381 0.11951 0.11958 1 1 Cu 1S 0.00002 -0.00035 -0.00667 0.00024 0.00009 2 2S 0.00008 -0.00802 -0.14039 0.00381 0.00090 3 3S -0.00573 -0.03592 -0.65115 -0.01378 -0.01996 4 4PX 0.05165 0.00047 0.01021 0.00379 -0.02280 5 4PY 0.01163 -0.00239 -0.04283 -0.00300 -0.00568 6 4PZ -0.00459 0.00063 0.00899 -0.02435 -0.00340 7 5PX -0.23466 -0.00725 -0.05559 -0.01563 0.09675 8 5PY -0.05227 0.01077 0.23356 0.01542 0.02600 9 5PZ 0.01996 -0.00079 -0.05018 0.11029 0.01432 10 6PX 0.44156 0.07395 -0.70770 -1.20188 5.83141 11 6PY 0.09422 0.19440 3.07759 0.75101 1.51921 12 6PZ 0.03835 -0.08352 -0.46445 5.60032 0.91460 13 7D 0 0.02236 0.00400 0.06591 -0.04336 -0.02158 14 7D+1 -0.07252 0.00063 -0.01394 -0.02543 0.02670 15 7D-1 -0.01295 0.00313 0.05579 0.01469 0.00533 16 7D+2 -0.01119 0.00596 0.11232 0.01087 -0.01001 17 7D-2 -0.00889 0.00442 0.05854 -0.00531 0.03976 18 8D 0 0.00583 0.00133 0.02189 -0.00858 -0.00389 19 8D+1 -0.01885 0.00013 -0.00455 -0.00471 0.00362 20 8D-1 -0.00312 0.00103 0.01837 0.00533 0.00111 21 8D+2 -0.00198 0.00201 0.03714 0.00068 -0.00354 22 8D-2 -0.00436 0.00144 0.01935 -0.00206 0.00954 23 2 Cu 1S -0.00129 -0.00001 -0.00138 -0.00415 0.00391 24 2S -0.09847 -0.00100 0.01540 0.00675 -0.00350 25 3S -2.88511 -0.03020 0.78607 1.76574 -1.48536 26 4PX -0.04232 -0.04809 -0.02783 -0.00938 0.04089 27 4PY -0.03502 -0.02562 -0.02618 -0.01009 0.02577 28 4PZ 0.02504 -0.06128 0.03820 0.04472 -0.00323 29 5PX 0.32462 0.39360 0.18742 -0.04028 -0.30008 30 5PY 0.22206 0.21249 0.24706 0.09253 -0.25501 31 5PZ -0.19411 0.50649 -0.29783 -0.36062 -0.06228 32 6PX -1.57434 -0.68649 -0.58456 -0.67698 -0.37431 33 6PY -1.01702 -0.37953 -1.29533 -1.70851 1.14849 34 6PZ 0.59627 -0.81430 0.97681 -0.04030 -1.56586 35 7D 0 -0.01026 -0.00260 0.00463 -0.00689 -0.02697 36 7D+1 -0.02574 0.00356 0.00483 0.01624 -0.02686 37 7D-1 0.00549 -0.00858 -0.02655 0.01734 0.01986 38 7D+2 0.01490 0.00531 -0.02075 -0.01092 -0.00394 39 7D-2 -0.00649 -0.00190 0.02875 0.03152 0.00333 40 8D 0 0.00013 -0.00396 -0.00157 -0.00321 -0.00140 41 8D+1 -0.00305 0.00265 -0.00091 -0.00217 -0.00005 42 8D-1 0.00032 -0.00404 -0.00712 0.00182 0.00364 43 8D+2 0.00557 0.00418 -0.00739 -0.00128 -0.00064 44 8D-2 0.00199 -0.00012 0.00273 0.00148 0.00315 45 3 Cu 1S -0.00166 0.00019 0.00344 -0.00137 0.00096 46 2S -0.01494 -0.00002 0.00920 0.00021 -0.00170 47 3S -0.52804 -0.07085 -0.80017 0.47517 -0.42396 48 4PX -0.01081 -0.01414 0.03802 0.03501 0.02620 49 4PY -0.00722 -0.00682 0.04775 0.02834 0.00503 50 4PZ 0.01152 -0.02404 -0.04190 0.03041 0.05592 51 5PX 0.05354 0.13015 -0.29865 -0.35319 -0.17970 52 5PY 0.04001 0.06668 -0.27169 -0.18911 -0.09088 53 5PZ -0.07811 0.20927 0.28283 -0.23986 -0.48857 54 6PX 2.94705 -0.26407 0.94506 1.42981 -1.13256 55 6PY -6.46161 -0.21152 0.85928 0.31388 0.28482 56 6PZ 0.13681 -0.46959 -0.97609 -0.64320 1.42746 57 7D 0 -0.01114 0.02496 -0.01124 -0.00601 0.02338 58 7D+1 0.00824 -0.01874 0.03292 0.00677 0.00125 59 7D-1 -0.01329 0.02759 -0.00252 -0.02920 0.00418 60 7D+2 -0.05644 -0.03274 -0.02835 -0.02222 0.03455 61 7D-2 -0.01147 0.00270 -0.01326 -0.01761 -0.00217 62 8D 0 -0.00505 0.00588 -0.00250 0.00056 0.00650 63 8D+1 0.00238 -0.00478 0.00856 -0.00191 0.00246 64 8D-1 -0.00206 0.00763 0.00136 -0.00771 0.00291 65 8D+2 -0.01458 -0.00849 -0.00543 -0.00512 0.00584 66 8D-2 -0.00476 0.00105 -0.00437 -0.00241 -0.00232 67 4 Cu 1S 0.00176 0.00015 0.00343 -0.00067 -0.00158 68 2S 0.01648 0.00044 0.00900 -0.00142 0.00173 69 3S 0.58126 -0.02678 -0.80507 0.13651 0.61468 70 4PX -0.01676 -0.01499 -0.06272 -0.03223 -0.01162 71 4PY 0.00183 0.00480 0.02610 0.01015 0.00955 72 4PZ -0.00765 0.02366 -0.02943 0.06837 -0.02729 73 5PX 0.09431 0.12709 0.43647 0.28898 0.13583 74 5PY -0.01157 -0.03529 -0.11300 -0.05811 0.00798 75 5PZ 0.05679 -0.21487 0.19671 -0.58004 0.24004 76 6PX 0.03714 -0.32971 -1.41021 -0.56731 -1.92263 77 6PY 7.54553 0.13648 0.33075 0.27628 -0.99301 78 6PZ -0.65675 0.46745 -0.69348 0.41691 -0.94216 79 7D 0 0.01363 -0.01367 0.00458 0.00681 -0.02356 80 7D+1 -0.00593 -0.02499 -0.01794 0.00869 0.00555 81 7D-1 0.01278 -0.04020 -0.00931 -0.02559 -0.01524 82 7D+2 0.04673 0.01378 -0.03717 -0.00789 -0.03121 83 7D-2 0.03912 0.01266 -0.01936 0.00473 -0.02941 84 8D 0 0.00512 -0.00301 0.00181 0.00275 -0.00698 85 8D+1 -0.00015 -0.00608 -0.00556 0.00440 0.00416 86 8D-1 0.00285 -0.01078 -0.00111 -0.00460 -0.00398 87 8D+2 0.01396 0.00340 -0.00937 -0.00178 -0.00320 88 8D-2 0.00859 0.00363 -0.00257 0.00043 -0.00686 89 5 Cu 1S -0.00009 -0.00007 -0.00128 0.00548 0.00158 90 2S -0.00688 0.00161 0.01190 -0.00900 -0.00182 91 3S -0.18947 0.06134 0.63531 -2.30428 -0.61224 92 4PX -0.02845 0.08092 -0.00325 -0.00955 0.03263 93 4PY -0.00861 0.01422 -0.03607 0.03435 0.01664 94 4PZ 0.00123 -0.01417 -0.03784 0.04555 0.00856 95 5PX 0.19287 -0.67065 0.01636 0.12354 -0.33917 96 5PY 0.05910 -0.11698 0.32075 -0.29522 -0.15532 97 5PZ -0.00709 0.11527 0.26837 -0.25282 -0.02711 98 6PX -1.24864 1.06323 0.11210 0.04972 -1.50675 99 6PY -0.30868 0.12395 -1.41175 2.24028 0.41587 100 6PZ 0.08716 -0.19561 -0.80016 0.35778 0.37340 101 7D 0 -0.00002 0.00034 -0.02331 0.03046 0.00770 102 7D+1 0.00922 -0.00780 -0.00948 0.01135 0.01026 103 7D-1 -0.00001 -0.00080 0.03025 -0.01032 -0.00813 104 7D+2 -0.00348 -0.00494 -0.01701 -0.01067 -0.02082 105 7D-2 0.01020 0.00728 -0.00265 -0.02105 0.03694 106 8D 0 -0.00046 0.00138 -0.00498 -0.00083 -0.00018 107 8D+1 0.00357 -0.00651 -0.00061 -0.00094 0.00061 108 8D-1 0.00081 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110 8D-2 0.00021 -0.00401 0.00093 0.00130 0.00132 111 6 Cu 1S 0.00021 -0.00010 0.00022 -0.00050 0.00003 112 2S 0.00092 -0.00046 0.00153 -0.00336 0.00020 113 3S 0.00867 -0.00325 0.06214 -0.13271 -0.00333 114 4PX 0.00072 -0.01989 -0.03633 -0.00187 -0.11303 115 4PY 0.00536 -0.00474 -0.00863 0.00679 -0.03068 116 4PZ 0.01954 0.00200 -0.00009 0.03506 -0.01482 117 5PX -0.00590 0.24557 0.31708 0.01555 1.39853 118 5PY -0.06557 0.05885 0.07107 -0.04723 0.38076 119 5PZ -0.24043 -0.02194 0.00343 -0.30056 0.18243 120 6PX -0.00242 3.52055 5.27513 0.18602 -1.64695 121 6PY -0.77871 0.81047 1.27603 -1.15430 -0.44507 122 6PZ -3.51002 -0.19290 -0.09075 -5.24600 -0.19395 123 7D 0 -0.02169 0.01491 -0.01043 0.03063 0.02000 124 7D+1 -0.00773 -0.04395 0.02254 0.01572 -0.01025 125 7D-1 -0.04104 -0.00806 0.00220 -0.01185 -0.00859 126 7D+2 0.02658 -0.01807 -0.00635 -0.00920 0.03363 127 7D-2 0.00808 0.01597 0.02709 -0.00246 -0.08236 128 8D 0 -0.00353 0.00181 -0.00082 0.00543 0.00223 129 8D+1 -0.00141 -0.00498 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-0.73049 0.19396 13 7D 0 0.02108 -0.02045 -0.00006 -0.03256 0.04160 14 7D+1 0.01318 0.00387 -0.00074 0.00652 -0.08708 15 7D-1 -0.01664 -0.01640 0.00005 -0.02647 -0.01063 16 7D+2 -0.00539 -0.03418 0.00022 -0.05556 -0.02087 17 7D-2 0.00283 -0.01781 -0.00094 -0.02881 -0.02445 18 8D 0 0.01297 0.00364 -0.00033 -0.03794 0.01264 19 8D+1 0.00780 -0.00094 -0.00011 0.00765 -0.02359 20 8D-1 -0.01143 0.00352 -0.00015 -0.03130 -0.00258 21 8D+2 -0.00234 0.00683 -0.00037 -0.06475 -0.00263 22 8D-2 0.00228 0.00360 -0.00065 -0.03354 -0.01044 23 2 Cu 1S -0.00497 0.02090 0.00017 0.00131 -0.01388 24 2S -0.04965 0.05749 0.00129 0.10949 -0.08187 25 3S 0.08584 0.54946 -0.07489 0.60937 -0.58876 26 4PX -0.01005 0.00454 0.01990 0.03489 -0.01321 27 4PY 0.04947 -0.05558 0.01116 -0.03552 0.01292 28 4PZ -0.02456 0.02050 0.02718 -0.01260 0.03343 29 5PX -0.03309 -0.10910 -0.27744 -0.41540 0.31481 30 5PY -0.50779 0.88973 -0.17077 0.53992 0.29948 31 5PZ 0.33763 -0.29171 -0.40332 0.10164 -0.87678 32 6PX 0.47252 -0.30818 0.61421 0.42140 -0.00068 33 6PY 1.33490 -0.37142 0.31136 -0.70547 -0.12387 34 6PZ -1.09793 0.39566 0.81592 -0.01919 0.03208 35 7D 0 0.00656 -0.03084 -0.00266 -0.01738 -0.09547 36 7D+1 -0.02153 0.03353 0.02651 -0.05104 0.07251 37 7D-1 0.00745 0.02280 -0.04866 0.00208 -0.00848 38 7D+2 0.02793 -0.03112 0.03979 0.01577 -0.04155 39 7D-2 0.02537 -0.05878 -0.02373 -0.03030 -0.00119 40 8D 0 -0.00269 -0.00614 -0.00324 -0.00600 -0.01020 41 8D+1 -0.00901 0.00290 0.00369 0.00809 0.02562 42 8D-1 0.00017 0.00342 -0.00471 0.00742 0.01097 43 8D+2 0.00720 -0.00532 0.00493 -0.00448 -0.01826 44 8D-2 -0.00028 -0.01140 -0.00067 -0.01309 -0.02151 45 3 Cu 1S 0.00772 -0.00517 0.00009 0.00194 -0.00511 46 2S 0.08968 -0.09797 0.00088 -0.00486 0.00827 47 3S 2.03195 -1.84902 0.04366 -1.15275 1.86411 48 4PX -0.00129 -0.00257 -0.05407 0.00810 0.04929 49 4PY -0.02795 -0.02995 -0.02786 0.00570 -0.03794 50 4PZ 0.02599 0.01192 -0.07277 -0.00820 -0.01425 51 5PX -0.01812 -0.07063 0.84233 -0.26743 -1.20759 52 5PY 0.31536 0.56124 0.41949 -0.31219 0.74588 53 5PZ -0.23725 -0.14879 1.12851 0.32511 0.12032 54 6PX -1.80511 0.51264 -1.74051 -0.24685 -0.38247 55 6PY 0.53552 0.30573 -0.95490 0.70680 -0.10961 56 6PZ 2.24268 -0.58591 -2.37056 -0.07494 0.44570 57 7D 0 -0.03777 0.06225 0.08053 0.02396 -0.04834 58 7D+1 -0.00110 0.05095 -0.01642 -0.01570 -0.01191 59 7D-1 0.00467 0.00604 -0.00359 -0.05945 0.03736 60 7D+2 -0.01529 0.03207 -0.02891 -0.01278 0.03456 61 7D-2 -0.06319 0.08782 -0.03674 0.07628 -0.00094 62 8D 0 -0.01276 0.01455 0.02027 0.00677 -0.01028 63 8D+1 -0.00167 0.00658 -0.00649 0.00211 -0.00192 64 8D-1 0.00193 0.00115 0.00310 -0.02323 0.00703 65 8D+2 -0.00558 0.01066 -0.01069 -0.01314 0.02214 66 8D-2 -0.01603 0.02045 -0.00715 0.02622 -0.00148 67 4 Cu 1S 0.00252 -0.00519 0.00036 0.00191 -0.00007 68 2S 0.02935 -0.09815 0.00186 -0.00455 -0.01959 69 3S 0.67093 -1.83143 0.00380 -1.13420 -2.49985 70 4PX 0.00203 0.01695 -0.03747 -0.01133 0.03276 71 4PY -0.00727 -0.02577 0.00990 0.00158 0.06461 72 4PZ 0.01891 0.01078 0.08632 -0.00622 0.00445 73 5PX -0.01730 -0.19599 0.57926 0.44351 -0.72544 74 5PY 0.09426 0.53275 -0.16523 -0.16150 -1.14422 75 5PZ -0.17503 -0.15132 -1.33617 0.23688 -0.02260 76 6PX 0.28908 -0.77302 -1.22671 -0.05292 0.14902 77 6PY 0.46491 0.02101 0.29746 0.75396 0.93797 78 6PZ 1.40042 -0.29879 2.81486 -0.14103 -0.07444 79 7D 0 -0.01170 0.08278 -0.05977 0.00963 0.01553 80 7D+1 -0.00525 -0.03420 -0.06372 0.03556 0.02375 81 7D-1 -0.01341 0.00868 -0.00724 -0.02403 -0.03284 82 7D+2 -0.01609 0.07472 0.03454 0.06013 -0.00580 83 7D-2 0.01414 -0.03927 -0.00796 -0.06905 -0.06163 84 8D 0 -0.00580 0.01703 -0.01438 0.00470 0.00540 85 8D+1 -0.00272 -0.00459 -0.01659 0.00889 0.00217 86 8D-1 -0.00132 0.00293 -0.00739 -0.01216 -0.00921 87 8D+2 -0.00383 0.02073 0.00937 0.01370 -0.01064 88 8D-2 0.00235 -0.00598 0.00022 -0.03178 -0.02610 89 5 Cu 1S 0.00720 0.02077 0.00018 0.00122 -0.00776 90 2S 0.06767 0.05657 0.00175 0.10904 -0.03375 91 3S -0.07676 0.57048 -0.04588 0.60913 0.35286 92 4PX 0.01958 0.01181 -0.03390 0.01215 0.02948 93 4PY -0.07364 -0.05682 -0.00669 -0.02941 0.00671 94 4PZ 0.00200 0.00069 0.00518 0.04047 -0.01049 95 5PX -0.17539 -0.19583 0.49970 -0.17015 -0.57560 96 5PY 0.79796 0.90700 0.09043 0.47101 0.10726 97 5PZ 0.18462 -0.06953 -0.06637 -0.47090 0.17056 98 6PX 0.32974 0.00523 -1.02343 0.22330 -0.03328 99 6PY -2.09470 -0.40372 -0.21144 -0.68813 0.11210 100 6PZ -1.05813 -0.37903 0.16516 0.43275 0.01414 101 7D 0 -0.03694 -0.02564 0.01052 0.05437 -0.04819 102 7D+1 0.00015 0.01153 -0.03544 0.02016 0.09815 103 7D-1 -0.03697 -0.07498 -0.01510 -0.01204 -0.00511 104 7D+2 -0.02056 -0.01137 -0.02784 -0.02000 -0.01832 105 7D-2 -0.01935 -0.01648 0.05313 -0.01157 0.03832 106 8D 0 -0.01432 -0.00142 0.00171 -0.00507 -0.00540 107 8D+1 -0.00418 0.00291 -0.00691 0.00269 -0.00024 108 8D-1 -0.00343 -0.01332 -0.00167 -0.01745 -0.01305 109 8D+2 0.00079 -0.00375 -0.00249 0.00010 -0.00080 110 8D-2 -0.00044 -0.00357 0.00360 -0.00276 -0.00284 111 6 Cu 1S 0.00037 0.03753 -0.00032 0.01159 -0.00126 112 2S 0.00220 0.21424 -0.00118 0.09999 -0.01284 113 3S 0.00219 1.33847 0.04611 -0.23357 -1.25065 114 4PX 0.02032 -0.01942 -0.00060 -0.00867 0.02722 115 4PY -0.01966 0.08044 -0.00030 0.03550 0.00107 116 4PZ -0.11470 -0.01624 0.00035 -0.00807 0.00374 117 5PX -0.25207 0.19986 0.01343 0.08220 -0.95306 118 5PY 0.24837 -0.83045 -0.00756 -0.33439 0.04142 119 5PZ 1.42183 0.16232 -0.00342 0.07857 -0.14438 120 6PX 0.28037 0.03051 -0.02237 0.13905 0.27738 121 6PY -0.30876 -0.17327 -0.00058 -0.53614 0.03681 122 6PZ -1.68227 0.02964 0.00754 0.14870 0.04065 123 7D 0 0.05523 -0.02076 -0.00010 0.00201 -0.02214 124 7D+1 0.03312 0.00343 -0.00030 -0.00051 0.02718 125 7D-1 -0.06535 -0.01505 0.00058 0.00191 0.00978 126 7D+2 -0.00549 -0.03549 0.00062 0.00291 -0.02037 127 7D-2 0.01372 -0.01811 -0.00113 0.00167 0.08056 128 8D 0 0.00808 -0.00199 -0.00021 0.00537 -0.00056 129 8D+1 0.00464 0.00030 -0.00002 -0.00097 -0.00237 130 8D-1 -0.01303 -0.00129 -0.00004 0.00408 0.00418 131 8D+2 0.00052 -0.00310 -0.00020 0.00906 -0.00817 132 8D-2 0.00283 -0.00158 -0.00035 0.00464 0.03189 133 7 Cu 1S -0.00154 0.02088 0.00022 0.00125 0.00748 134 2S -0.01654 0.05750 0.00218 0.10914 0.08527 135 3S 0.03756 0.53762 -0.03903 0.60353 2.82296 136 4PX -0.00181 0.02392 0.01382 -0.02007 -0.04143 137 4PY 0.01487 -0.05138 -0.00345 -0.04706 -0.03139 138 4PZ -0.01779 0.01670 -0.03262 -0.00397 -0.02458 139 5PX 0.07346 -0.34255 -0.20433 0.18106 1.36223 140 5PY -0.12968 0.83923 0.03778 0.66270 0.20132 141 5PZ 0.18545 -0.24582 0.47534 0.00722 0.75829 142 6PX -0.32990 0.54491 0.41733 -0.11059 -0.35236 143 6PY 0.29776 -0.20386 -0.11050 -0.80690 0.59237 144 6PZ -0.43722 0.23668 -0.97933 0.06872 -0.21804 145 7D 0 -0.00830 -0.01291 -0.00594 -0.03871 0.01239 146 7D+1 -0.00414 -0.03139 0.00916 0.03128 0.07313 147 7D-1 0.01225 -0.00278 0.06544 0.00835 0.03762 148 7D+2 0.01590 -0.07513 -0.00839 -0.00101 0.08506 149 7D-2 -0.00085 0.01457 -0.02722 0.03941 0.06268 150 8D 0 -0.00414 -0.00435 0.00184 -0.00142 -0.00788 151 8D+1 -0.00079 -0.00333 0.00341 -0.00842 0.03011 152 8D-1 0.00009 -0.00006 0.00667 0.00056 0.00555 153 8D+2 0.00320 -0.01323 -0.00190 -0.01539 0.04356 154 8D-2 0.00230 0.00358 -0.00264 0.00548 0.00893 155 8 Cu 1S -0.01052 -0.00481 0.00032 0.00240 -0.00352 156 2S -0.12255 -0.09448 0.00180 -0.00349 0.00119 157 3S -2.76139 -1.78526 0.01631 -1.21976 0.61730 158 4PX -0.01138 0.00680 0.09217 -0.00084 0.01287 159 4PY 0.04463 -0.03179 0.01947 0.00764 -0.00982 160 4PZ 0.01531 -0.00401 -0.01420 0.01014 0.02034 161 5PX 0.12364 -0.13779 -1.42723 0.04446 -0.62826 162 5PY -0.47425 0.56947 -0.31184 -0.37780 0.20191 163 5PZ -0.09907 -0.06635 0.22614 -0.33352 -0.42348 164 6PX 0.14356 0.02326 3.00951 -0.17532 0.04251 165 6PY 0.32329 0.55327 0.61445 0.58480 0.02692 166 6PZ 3.69016 0.54516 -0.45248 -0.15522 -0.54602 167 7D 0 -0.01003 -0.03921 -0.02130 -0.02040 -0.00135 168 7D+1 -0.03022 -0.03651 0.08049 -0.02252 0.05631 169 7D-1 0.08329 0.06809 0.00997 0.09401 -0.00382 170 7D+2 0.03867 0.07271 -0.00698 -0.02343 -0.01065 171 7D-2 0.03429 0.04382 0.04513 0.00487 0.04747 172 8D 0 -0.00281 -0.00346 -0.00627 -0.01796 -0.00159 173 8D+1 -0.00889 -0.00725 0.02324 -0.00957 0.02165 174 8D-1 0.02260 0.01804 0.00394 0.02976 0.00244 175 8D+2 0.01297 0.01633 0.00059 -0.01146 0.00616 176 8D-2 0.00926 0.01015 0.00671 -0.00023 0.00435 177 9 C 1S 0.00026 0.02110 0.00009 0.01184 0.00003 178 2S -0.00036 -0.02655 0.00014 0.02014 -0.00305 179 3S -0.00398 -0.35648 -0.00652 -0.64032 0.04236 180 4PX -0.01330 -0.00382 0.00226 0.01817 -0.02262 181 4PY 0.01458 0.01256 -0.00080 -0.07627 -0.00484 182 4PZ 0.07793 -0.00512 -0.00059 0.01780 -0.00180 183 5PX 0.00020 -0.19219 0.00491 0.49765 -0.38100 184 5PY 0.01075 0.79059 -0.02681 -2.04189 0.01894 185 5PZ -0.01454 -0.17743 0.00673 0.46866 -0.05970 186 10 O 1S -0.00034 -0.02386 0.00074 0.05680 -0.00361 187 2S 0.00035 0.01937 -0.00072 -0.06491 0.00505 188 3S 0.00683 0.48162 -0.01403 -1.03576 0.06287 189 4PX 0.00507 -0.02271 0.00003 0.02423 0.05450 190 4PY -0.00458 0.09264 -0.00174 -0.09845 0.02506 191 4PZ -0.03384 -0.02086 0.00054 0.02274 0.00325 192 5PX 0.00410 -0.02152 0.00013 0.01843 0.05909 193 5PY -0.00416 0.08904 -0.00102 -0.07594 0.01741 194 5PZ -0.02800 -0.02122 0.00029 0.01750 0.00511 131 132 133 134 135 V V V V V EIGENVALUES -- 0.25735 0.25835 0.29422 0.29461 0.30284 1 1 Cu 1S -0.00208 -0.00443 0.00037 -0.00046 0.02650 2 2S 0.05290 0.12501 0.00432 -0.00500 0.28441 3 3S 4.56616 10.50180 0.13343 -0.11660 7.89762 4 4PX -0.01549 0.00970 -0.01963 0.00099 -0.00066 5 4PY -0.00682 -0.07466 -0.00395 0.00673 0.03164 6 4PZ 0.12107 -0.03617 0.00347 0.01843 0.02870 7 5PX 0.44469 0.10199 0.22867 -0.04644 0.08114 8 5PY -0.41837 0.24466 0.03258 -0.09996 -1.18224 9 5PZ -2.37060 1.01442 -0.09680 -0.19410 -0.87913 10 6PX -0.45756 -1.23007 -0.47287 -0.01090 -0.68512 11 6PY 2.17768 5.19046 -0.07351 0.08977 2.62453 12 6PZ -0.99285 -0.85413 -0.00285 0.52969 -0.70268 13 7D 0 -0.05725 0.04185 -0.00007 0.02597 -0.01963 14 7D+1 -0.04466 0.00680 -0.01501 0.01778 0.00240 15 7D-1 -0.03062 0.01903 -0.00809 -0.06605 -0.03784 16 7D+2 0.04912 -0.00575 -0.03222 0.01577 0.01131 17 7D-2 0.01320 -0.00028 0.06612 0.00439 -0.00364 18 8D 0 -0.02084 0.00633 -0.00625 0.02959 -0.02951 19 8D+1 -0.01300 0.00401 0.00497 0.01727 0.00068 20 8D-1 -0.00673 -0.00208 -0.00263 -0.03693 -0.02282 21 8D+2 0.00958 -0.01112 -0.01929 0.00174 -0.01887 22 8D-2 0.00072 -0.00545 0.04656 0.00087 -0.01315 23 2 Cu 1S 0.00659 0.03444 -0.00724 -0.00581 -0.00062 24 2S -0.03701 0.07870 0.01356 0.01425 -0.10222 25 3S -4.31252 -6.02473 5.75762 4.68304 -3.39026 26 4PX -0.05910 -0.02704 0.03684 0.02619 -0.04984 27 4PY 0.00498 0.01096 -0.03316 -0.02900 0.00678 28 4PZ 0.01567 0.03291 -0.00981 -0.01413 0.02697 29 5PX 1.50916 1.05066 -1.18637 -0.89401 1.10950 30 5PY 0.13687 -0.80389 1.37750 1.12652 0.23487 31 5PZ -0.69989 -0.75506 0.25683 0.34802 -0.64648 32 6PX 0.00132 -0.03523 -0.31431 -0.33502 0.28103 33 6PY -1.00440 -1.56367 0.36291 0.23896 -1.05928 34 6PZ 0.43875 0.62335 0.21743 0.00723 0.29453 35 7D 0 0.05092 -0.00463 -0.03604 -0.01553 0.01329 36 7D+1 0.05908 0.02166 -0.00681 -0.01614 0.04324 37 7D-1 -0.00308 0.00616 0.03757 0.03330 0.04639 38 7D+2 -0.08394 0.04198 0.01249 -0.00207 -0.03008 39 7D-2 -0.03443 0.05810 -0.07268 -0.05749 -0.04006 40 8D 0 -0.00444 0.01492 -0.01973 -0.02173 -0.00318 41 8D+1 0.03408 0.00797 -0.00912 -0.01161 0.00807 42 8D-1 0.00538 -0.01062 0.00478 0.01358 0.00239 43 8D+2 -0.02074 -0.00143 -0.00611 -0.00891 -0.01300 44 8D-2 -0.00658 0.02703 -0.04456 -0.02634 -0.00690 45 3 Cu 1S 0.00733 0.02145 0.01139 0.00904 -0.00498 46 2S 0.02169 0.01800 -0.09545 -0.06531 -0.03504 47 3S 1.77620 -0.56422 -8.31203 -6.16132 0.49249 48 4PX 0.02238 -0.04260 -0.02288 0.00909 0.00581 49 4PY -0.02857 0.02684 -0.08398 -0.05066 -0.02694 50 4PZ -0.01038 0.02599 0.02468 0.04814 0.01681 51 5PX -0.13814 1.21446 0.55149 -0.45840 -0.13608 52 5PY 0.30090 -1.28559 2.33223 1.35135 0.66400 53 5PZ 0.38644 -0.67840 -0.50480 -1.34348 -0.74213 54 6PX 1.46327 3.42038 -0.51216 -0.93115 0.98729 55 6PY -1.22773 -1.75327 3.20819 2.40889 -0.58961 56 6PZ -0.68300 -1.74958 -0.44081 -0.86986 -0.40238 57 7D 0 0.04117 -0.01295 0.04461 -0.03101 -0.06639 58 7D+1 -0.00549 0.02620 0.03445 0.01931 0.03481 59 7D-1 0.03366 0.03079 -0.00693 0.02741 0.00129 60 7D+2 0.03134 0.02084 0.00324 0.00220 -0.02015 61 7D-2 -0.04718 0.01580 -0.00784 0.04420 -0.04764 62 8D 0 0.01067 -0.01095 0.02722 -0.01005 -0.03016 63 8D+1 -0.01741 -0.00711 0.01515 0.01784 0.00456 64 8D-1 0.01302 -0.00522 0.00342 0.00133 -0.00745 65 8D+2 0.00948 0.00419 -0.00238 0.01216 -0.00988 66 8D-2 -0.01131 -0.00222 0.01016 0.02274 -0.02651 67 4 Cu 1S 0.00844 0.02143 -0.01378 0.00521 -0.00477 68 2S 0.01051 0.01686 0.10333 -0.04887 -0.04402 69 3S 0.48349 -0.61690 9.48131 -4.11164 -0.02653 70 4PX 0.00842 0.03579 -0.06314 0.01402 0.01442 71 4PY -0.00259 0.04448 0.07647 -0.02702 -0.03051 72 4PZ -0.00368 0.01332 -0.02050 0.04228 0.01737 73 5PX -0.34699 -0.79076 1.57687 -0.25825 -0.45887 74 5PY -0.29408 -1.73794 -2.19142 0.73102 0.73550 75 5PZ 0.39172 -0.37181 0.41571 -1.27996 -0.73213 76 6PX -1.10649 -2.76132 0.95489 -0.19873 -0.79191 77 6PY -1.55543 -3.13389 -3.80455 1.35090 -0.75344 78 6PZ -0.46302 -0.88298 0.59389 -0.82194 -0.14612 79 7D 0 0.05432 0.00778 -0.05228 -0.02582 -0.04060 80 7D+1 0.02864 -0.04291 0.00883 -0.04672 -0.04660 81 7D-1 0.00256 0.01640 0.00900 0.02621 -0.02578 82 7D+2 -0.02161 0.01123 -0.00098 0.01808 -0.05997 83 7D-2 0.03530 0.00622 0.00404 -0.02549 0.00940 84 8D 0 0.00639 -0.01351 -0.03223 -0.00683 -0.02461 85 8D+1 0.01665 0.00131 0.00532 -0.02494 -0.00869 86 8D-1 0.01166 -0.00373 -0.00401 -0.00338 -0.01562 87 8D+2 -0.00605 0.00197 -0.00931 0.01446 -0.02686 88 8D-2 0.00750 0.00320 0.01153 -0.00691 0.00625 89 5 Cu 1S 0.02536 0.02657 -0.00173 0.00986 -0.01038 90 2S 0.11406 0.01701 0.00198 -0.01741 -0.07626 91 3S -0.91721 -7.27754 1.13455 -7.40679 1.58698 92 4PX 0.01258 -0.00978 0.00699 -0.01444 -0.00009 93 4PY 0.00046 -0.00052 -0.00402 0.03587 -0.01726 94 4PZ 0.02196 -0.07373 0.00665 -0.05167 -0.02237 95 5PX -0.05308 0.31435 -0.19010 0.55830 -0.23619 96 5PY -0.82895 -0.05121 0.20249 -1.52571 1.11012 97 5PZ -0.40029 2.16351 -0.25007 1.69127 -0.13915 98 6PX 0.06175 0.38142 0.11818 0.16551 0.21089 99 6PY -0.36471 -1.88002 0.08640 -0.33863 -0.67040 100 6PZ -0.03829 -0.12380 -0.06297 0.52493 0.44636 101 7D 0 0.08007 -0.07275 0.00237 -0.04288 -0.01992 102 7D+1 0.02706 -0.01894 0.01866 -0.03232 0.01097 103 7D-1 0.07410 -0.00358 -0.00796 0.09633 -0.04607 104 7D+2 0.04563 0.01579 -0.00219 0.00502 -0.04820 105 7D-2 0.04315 0.00666 -0.00372 0.01693 -0.02730 106 8D 0 0.02356 -0.03671 0.00306 -0.01819 0.00812 107 8D+1 -0.00508 -0.01087 0.00343 -0.01927 0.01255 108 8D-1 0.04604 0.00071 -0.00566 0.04892 -0.03743 109 8D+2 0.00241 0.00569 0.00170 0.02278 -0.01661 110 8D-2 0.00794 0.00295 -0.01405 0.01663 -0.01300 111 6 Cu 1S 0.00372 0.00714 0.00024 0.00016 0.02055 112 2S 0.04044 0.08622 -0.00114 0.00130 -0.06716 113 3S 4.07498 9.08616 -0.08802 0.02888 -5.91230 114 4PX 0.00022 -0.00869 -0.00173 -0.00026 0.01929 115 4PY 0.01427 0.04372 -0.00166 0.00106 -0.07662 116 4PZ -0.02817 0.00156 0.00030 0.00273 0.02112 117 5PX 0.05176 0.43552 -0.36774 -0.02927 -0.61239 118 5PY -0.75398 -2.09625 -0.05764 0.05844 2.17182 119 5PZ 1.01500 0.06471 -0.03015 0.35795 -1.09762 120 6PX 0.01556 -0.06676 -1.11188 -0.06974 -0.17386 121 6PY 0.07169 0.27864 -0.26964 0.22739 0.32276 122 6PZ -0.27843 0.02120 -0.02865 1.11832 -0.88161 123 7D 0 0.04612 -0.05315 -0.00776 0.04437 -0.00708 124 7D+1 0.03858 -0.00770 -0.00168 0.02667 -0.02655 125 7D-1 -0.05325 0.00146 -0.00235 -0.06530 0.06449 126 7D+2 -0.03069 -0.03710 -0.03305 0.00648 0.05903 127 7D-2 0.00173 -0.01450 0.07732 0.00498 0.03461 128 8D 0 0.00362 -0.03058 -0.00412 0.01245 0.00071 129 8D+1 0.01014 0.00049 0.00674 0.00612 -0.00975 130 8D-1 -0.03196 -0.00755 0.00247 -0.00927 0.03210 131 8D+2 -0.01744 -0.04236 -0.00467 -0.00307 0.01665 132 8D-2 -0.00321 -0.01907 0.01409 0.00081 0.01241 133 7 Cu 1S 0.01258 0.03484 0.00869 -0.00309 -0.00079 134 2S 0.00946 0.08031 -0.02056 0.00920 -0.10085 135 3S -3.35516 -6.08797 -6.96077 2.77003 -3.10204 136 4PX 0.03831 0.02804 0.02704 -0.00808 0.04738 137 4PY 0.01488 0.02291 0.05502 -0.02343 0.02497 138 4PZ -0.01590 0.02426 0.00330 -0.00730 0.01248 139 5PX -1.01759 -0.80425 -0.72105 0.22383 -1.22775 140 5PY -0.48462 -1.21842 -2.07795 0.85081 -0.16130 141 5PZ 0.17107 -0.47573 -0.03305 0.12756 -0.30675 142 6PX 0.41869 0.82137 -0.21079 0.18605 0.26399 143 6PY -0.71833 -1.37513 -0.57954 0.20955 -1.03011 144 6PZ 0.31354 0.49667 -0.09821 -0.09305 0.28374 145 7D 0 0.08389 0.01315 0.04098 -0.00717 0.03090 146 7D+1 0.04799 -0.03907 0.01432 0.00190 -0.03271 147 7D-1 0.00705 0.00324 -0.01559 0.01873 0.02256 148 7D+2 -0.05105 0.06385 0.05700 -0.03073 -0.06828 149 7D-2 -0.01525 -0.00809 -0.07270 0.02997 0.01262 150 8D 0 0.00822 0.01635 0.02875 -0.01707 -0.00087 151 8D+1 -0.01032 0.00039 -0.00454 -0.00176 -0.00458 152 8D-1 -0.00392 -0.00454 0.00181 0.00924 -0.00079 153 8D+2 -0.00511 0.02005 0.04031 -0.01492 -0.01796 154 8D-2 -0.01218 -0.02218 -0.03051 0.00660 -0.00443 155 8 Cu 1S 0.01258 0.01957 0.00260 -0.01416 0.01950 156 2S -0.00017 0.03177 -0.00683 0.11745 0.15479 157 3S -2.21089 1.25130 -1.13902 10.31665 3.11171 158 4PX -0.01807 -0.00021 -0.02862 -0.02150 0.02014 159 4PY 0.04148 -0.00760 -0.02010 0.10538 -0.03196 160 4PZ -0.07542 -0.00888 0.00555 0.02343 0.08251 161 5PX 0.34373 0.19565 0.94203 0.62892 -0.68818 162 5PY -1.09529 -0.52007 0.60103 -2.85563 1.25668 163 5PZ 1.74853 0.61427 -0.23677 -0.41269 -2.60533 164 6PX 0.27331 0.79962 0.36517 1.02642 -0.82940 165 6PY 0.00904 -1.32973 0.78643 -3.97312 2.80517 166 6PZ 1.76667 3.81036 -0.33419 0.87455 -1.56148 167 7D 0 -0.04541 0.02599 0.00761 0.02897 0.03593 168 7D+1 -0.00096 0.00572 -0.03498 0.01075 0.01819 169 7D-1 0.02703 -0.03389 0.00395 -0.00233 -0.01512 170 7D+2 -0.01210 0.05287 0.02385 -0.03181 -0.02062 171 7D-2 0.01423 0.01813 -0.05533 -0.02120 -0.01071 172 8D 0 -0.01655 0.02348 0.00578 0.01881 0.01923 173 8D+1 0.00291 0.00703 -0.02731 0.00919 0.00666 174 8D-1 0.00720 -0.00291 -0.00072 -0.01352 0.00410 175 8D+2 -0.01335 0.00091 0.00388 -0.02211 -0.00780 176 8D-2 -0.00391 0.00018 -0.00958 -0.01365 -0.00297 177 9 C 1S 0.00068 0.00266 0.00068 0.00039 0.05294 178 2S 0.00763 0.01526 -0.00175 0.00043 -0.11348 179 3S -0.14971 -0.36737 -0.01311 -0.01625 -1.20046 180 4PX -0.00150 0.00315 -0.22977 0.00186 0.02609 181 4PY -0.00013 -0.01250 -0.05261 0.05267 -0.01120 182 4PZ 0.02153 -0.00119 0.01726 0.22085 0.11381 183 5PX 0.02796 0.20283 0.07617 -0.00313 0.18082 184 5PY -0.32591 -0.93624 0.00885 -0.00728 -0.73415 185 5PZ 0.41948 0.06188 -0.00286 -0.06611 0.16831 186 10 O 1S 0.01223 0.02816 0.00009 -0.00081 0.00696 187 2S -0.01701 -0.03867 0.00002 0.00164 0.00054 188 3S -0.21370 -0.49432 -0.00243 0.01112 -0.18980 189 4PX 0.01789 0.02034 -0.00752 -0.00120 -0.01187 190 4PY -0.04216 -0.06716 -0.00163 0.00287 0.03852 191 4PZ -0.04512 0.03894 -0.00108 0.00761 -0.02515 192 5PX 0.01201 0.00449 0.01685 -0.00131 -0.03084 193 5PY -0.01487 -0.00337 0.00503 -0.00028 0.10869 194 5PZ -0.05413 0.02513 -0.00241 -0.01792 -0.04620 136 137 138 139 140 V V V V V EIGENVALUES -- 0.30327 0.30450 0.32190 0.40185 0.40213 1 1 Cu 1S -0.01662 0.00197 0.01141 0.00030 -0.00047 2 2S -0.18391 0.02294 0.02653 0.00175 -0.00222 3 3S -5.24103 0.69519 -0.69553 0.02221 -0.00477 4 4PX -0.00006 -0.06193 -0.03907 -0.00582 -0.00048 5 4PY 0.00557 -0.01451 0.15693 -0.00146 0.00205 6 4PZ 0.05272 0.00473 -0.03804 0.00017 0.00525 7 5PX -0.03596 2.00410 0.99804 0.70161 0.04052 8 5PY 0.02004 0.42898 -4.01064 0.17656 -0.17127 9 5PZ -1.76366 -0.12772 0.98724 -0.00756 -0.69657 10 6PX 0.40442 0.09901 0.06447 3.47463 0.20249 11 6PY -1.81203 0.26862 -0.33172 0.83405 -0.72747 12 6PZ 0.24673 -0.10028 0.08871 -0.01224 -3.50020 13 7D 0 -0.01661 0.01985 -0.00442 -0.00501 0.01350 14 7D+1 -0.00708 -0.06165 0.00091 0.01066 0.00670 15 7D-1 -0.04965 -0.01567 -0.00242 0.00152 -0.00452 16 7D+2 0.03772 -0.02804 -0.01281 -0.00320 -0.00517 17 7D-2 0.01172 0.03033 -0.00575 0.01260 -0.00091 18 8D 0 -0.00736 0.00960 -0.00127 0.00534 -0.03253 19 8D+1 -0.01035 -0.03029 0.00054 -0.00193 -0.01772 20 8D-1 -0.00527 -0.00730 -0.00111 0.00101 0.04572 21 8D+2 0.03298 -0.00837 -0.00396 0.02402 -0.00325 22 8D-2 0.01293 -0.00284 -0.00199 -0.05342 -0.00312 23 2 Cu 1S 0.01019 0.00851 0.03722 0.01444 0.01298 24 2S 0.04667 -0.03668 0.08134 0.09320 0.07842 25 3S -2.26602 -5.00429 -3.40187 0.36389 0.23143 26 4PX -0.00075 -0.02772 -0.01633 0.01475 0.00967 27 4PY 0.01041 0.02222 -0.00044 0.01157 0.00846 28 4PZ -0.01553 0.02119 0.01370 -0.01354 -0.01380 29 5PX 0.56736 1.05454 0.66721 -0.28708 -0.07385 30 5PY -0.84315 -0.93778 -0.33945 -0.00349 0.06126 31 5PZ 0.31223 -0.75085 -0.39954 0.05190 0.24294 32 6PX -0.24983 -0.17726 0.05128 -0.39403 0.15377 33 6PY 0.38576 -0.44560 -0.38590 0.36661 0.54311 34 6PZ 0.11432 0.23055 0.10658 -0.38262 0.32640 35 7D 0 0.06293 -0.00183 0.00361 -0.00996 -0.01142 36 7D+1 -0.00656 0.06331 0.01985 -0.02255 -0.03646 37 7D-1 0.03189 0.03777 0.04129 -0.05334 -0.00846 38 7D+2 0.01567 0.05168 0.03014 -0.00806 -0.03099 39 7D-2 0.02511 0.01022 -0.01790 -0.00473 0.01708 40 8D 0 0.02042 0.01309 0.01732 -0.00487 0.01851 41 8D+1 0.00540 0.01675 0.00707 0.01756 0.02162 42 8D-1 -0.00437 -0.00985 0.00750 0.04331 0.01302 43 8D+2 0.00454 0.00164 0.01773 0.01375 0.01965 44 8D-2 0.03244 0.02888 0.01959 -0.00173 -0.02258 45 3 Cu 1S -0.01820 -0.02568 -0.00053 -0.01340 -0.01023 46 2S -0.13388 -0.20254 0.06337 -0.11073 -0.08719 47 3S -2.22117 -2.89480 2.65402 -3.77371 -2.99657 48 4PX -0.05301 -0.07536 0.00861 -0.02392 -0.01706 49 4PY 0.03946 0.00902 0.02893 -0.02353 -0.01669 50 4PZ 0.03770 0.04219 -0.01892 0.02407 0.02307 51 5PX 1.58565 2.66749 0.35049 0.87387 0.35732 52 5PY -1.57917 -0.59698 -1.95402 0.65365 0.29936 53 5PZ -1.36490 -1.11135 0.58371 -0.50008 -0.89292 54 6PX 1.57779 2.33961 1.22279 -0.56925 -0.45157 55 6PY -2.73848 -3.49135 -1.03313 1.48040 1.16917 56 6PZ 0.11478 -0.52715 -0.47745 -0.13829 -0.16028 57 7D 0 -0.03950 0.01686 -0.00731 0.03802 -0.03416 58 7D+1 0.05057 0.04686 -0.02387 0.00817 0.03054 59 7D-1 -0.01705 0.02502 -0.08810 0.02579 0.00246 60 7D+2 0.00910 -0.07239 -0.06670 -0.01108 0.02839 61 7D-2 0.02650 -0.04248 0.04592 -0.01129 0.01050 62 8D 0 -0.01726 -0.00498 -0.01060 -0.00715 0.00160 63 8D+1 0.02485 0.01272 -0.00143 0.00675 -0.00180 64 8D-1 -0.00719 0.00960 -0.01615 -0.00999 0.00191 65 8D+2 0.00146 -0.03688 -0.02429 -0.00451 -0.01390 66 8D-2 -0.00151 -0.02557 -0.00602 -0.00215 -0.00038 67 4 Cu 1S -0.01222 0.02934 -0.00005 0.01561 -0.00580 68 2S -0.09445 0.22256 0.06658 0.13175 -0.04902 69 3S -1.95390 3.06823 2.68036 4.52995 -1.64627 70 4PX 0.02771 -0.08007 -0.02494 -0.04384 0.01520 71 4PY 0.04534 -0.05420 0.02181 0.01248 -0.00335 72 4PZ 0.01978 -0.02147 -0.01455 -0.01929 0.01078 73 5PX -0.67400 2.57159 0.65037 1.31501 -0.29330 74 5PY -1.63225 2.13427 -1.88022 -0.24170 -0.00332 75 5PZ -0.87182 0.46160 0.54688 0.40935 -0.63843 76 6PX -0.09943 0.82495 -0.76648 0.17160 -0.06663 77 6PY -1.85041 4.77957 -1.40671 -1.89152 0.59472 78 6PZ 0.36105 -0.08025 -0.20415 0.27897 -0.12589 79 7D 0 -0.01511 -0.03127 -0.02960 -0.03276 -0.02402 80 7D+1 -0.05364 0.02130 0.05418 0.00799 -0.04807 81 7D-1 -0.03329 -0.00014 -0.04778 -0.01765 -0.02033 82 7D+2 0.03218 0.08629 0.00937 0.01257 0.02099 83 7D-2 -0.01864 0.03032 -0.09367 -0.00703 0.00612 84 8D 0 -0.00222 0.00107 -0.01352 0.00425 0.00092 85 8D+1 -0.02329 0.00671 0.00819 0.00211 0.00548 86 8D-1 -0.01775 -0.00017 -0.01171 0.00987 0.00792 87 8D+2 0.00523 0.04766 -0.01728 0.00715 -0.00737 88 8D-2 -0.00275 0.01012 -0.01724 0.00776 -0.00670 89 5 Cu 1S -0.00591 0.00045 0.03759 0.00214 -0.01720 90 2S 0.09073 -0.01284 0.07980 0.01602 -0.11587 91 3S 6.08791 -0.86844 -3.59374 0.14377 -0.38505 92 4PX 0.01244 0.01135 -0.00228 0.00241 0.00147 93 4PY -0.01085 0.00491 -0.00359 0.00294 -0.01910 94 4PZ 0.06289 -0.01094 -0.02215 0.00300 -0.02174 95 5PX -0.37516 -0.39115 0.16465 -0.20207 0.00438 96 5PY 0.30322 -0.16763 -0.21784 -0.03242 0.04269 97 5PZ -1.85533 0.32071 0.87452 -0.03183 0.31963 98 6PX -0.20467 -0.06970 0.09111 -0.64582 0.06332 99 6PY 1.00867 -0.16872 -0.40613 -0.03620 -0.62466 100 6PZ 0.04664 0.01995 0.01659 0.06351 0.22115 101 7D 0 0.03120 -0.02170 0.01071 -0.00271 -0.00746 102 7D+1 0.01508 0.06219 0.00395 0.01524 -0.00148 103 7D-1 0.05427 0.01140 -0.03568 0.01196 -0.03143 104 7D+2 -0.07287 0.01728 0.04700 0.00748 0.05996 105 7D-2 -0.02349 0.00427 0.01479 -0.03494 0.01603 106 8D 0 0.02278 -0.00415 0.00038 -0.00096 -0.00227 107 8D+1 0.01081 0.00404 -0.00752 0.00647 0.00015 108 8D-1 -0.01485 0.00429 0.01623 -0.00783 0.03229 109 8D+2 -0.00583 0.00313 0.02579 -0.00490 -0.04577 110 8D-2 -0.00524 -0.00135 0.01376 0.03001 -0.01043 111 6 Cu 1S -0.01170 0.00107 0.01451 -0.00019 0.00104 112 2S 0.04519 -0.00577 0.08759 -0.00073 0.00232 113 3S 3.66420 -0.36412 4.39589 -0.03038 0.03012 114 4PX -0.01180 -0.00657 -0.00614 -0.00141 -0.00006 115 4PY 0.04959 -0.00712 0.02472 -0.00044 0.00003 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1S 0.02377 -0.00271 -0.00197 -0.00281 0.01779 156 2S 0.19191 -0.01726 0.04716 -0.02283 0.14206 157 3S 2.33187 0.01017 2.22124 -0.78387 4.74354 158 4PX 0.00574 -0.01573 -0.00572 -0.00330 -0.00238 159 4PY 0.02135 -0.00248 0.03042 -0.00686 0.03570 160 4PZ 0.07449 -0.00555 0.00658 -0.00522 0.03801 161 5PX -0.23699 0.91990 0.48668 0.47265 0.09137 162 5PY -0.32314 0.14579 -1.95921 0.25918 -0.89544 163 5PZ -2.57044 0.13985 0.46906 0.09958 -1.16970 164 6PX -1.05873 -0.04867 0.40614 -0.04939 0.47985 165 6PY 2.81844 -0.45926 -0.93119 0.33200 -1.72844 166 6PZ -2.89132 0.41128 1.55918 -0.14523 0.73742 167 7D 0 0.06938 0.01608 -0.04554 0.01439 0.01195 168 7D+1 -0.01250 -0.08016 -0.01361 -0.06005 -0.00556 169 7D-1 0.08894 -0.02677 0.06793 -0.01363 0.01530 170 7D+2 0.01641 -0.01195 -0.08425 -0.00076 -0.02890 171 7D-2 0.02195 -0.01311 -0.02569 -0.00969 -0.01172 172 8D 0 0.02245 0.00666 -0.01511 -0.00466 0.01041 173 8D+1 -0.01045 -0.02964 0.00102 0.01081 0.00243 174 8D-1 0.04218 -0.01208 -0.00401 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-0.00400 -0.09460 0.00008 -0.09982 141 142 143 144 145 V V V V V EIGENVALUES -- 0.55001 0.61387 0.63276 0.63371 0.66867 1 1 Cu 1S -0.06395 0.05341 -0.00088 0.00023 -0.00635 2 2S -0.21808 0.10345 -0.00068 0.00032 -0.03183 3 3S 3.19380 1.18193 0.00438 0.01255 4.63945 4 4PX 0.00908 0.00073 -0.00055 0.01438 0.00499 5 4PY -0.03725 -0.00192 -0.00313 0.00307 -0.01954 6 4PZ 0.00840 0.00109 -0.01470 -0.00122 0.00473 7 5PX 0.05957 0.13996 0.00485 -0.24031 0.07135 8 5PY -0.24210 -0.60317 0.06178 -0.05400 -0.32127 9 5PZ 0.05722 0.11965 0.24699 0.01867 0.06092 10 6PX 0.31768 -0.08321 -0.00146 0.06037 -0.60449 11 6PY -1.32744 0.19146 0.02807 0.01356 2.47307 12 6PZ 0.28872 -0.13576 -0.01371 0.01396 -0.55102 13 7D 0 0.07091 -0.01359 -0.12646 0.00973 0.03364 14 7D+1 -0.01465 0.00252 -0.06870 -0.01405 -0.00938 15 7D-1 0.05957 -0.00959 0.16905 0.02024 0.03096 16 7D+2 0.12094 -0.02293 -0.02030 0.08761 0.05162 17 7D-2 0.06322 -0.01124 0.00694 -0.20187 0.02909 18 8D 0 -0.11398 0.01692 0.20291 -0.02090 -0.06858 19 8D+1 0.02349 -0.00308 0.10710 0.04096 0.01772 20 8D-1 -0.09562 0.01170 -0.24243 -0.02644 -0.06173 21 8D+2 -0.19472 0.02840 0.01987 -0.12730 -0.10897 22 8D-2 -0.10171 0.01382 -0.01337 0.30255 -0.05996 23 2 Cu 1S 0.00775 -0.04007 -0.02373 -0.03766 0.10934 24 2S 0.05931 -0.08899 -0.03805 -0.06012 0.24351 25 3S -0.16465 -0.61142 1.10148 1.70251 -1.74185 26 4PX 0.00499 -0.01034 -0.00126 0.00487 -0.00315 27 4PY 0.00297 -0.00304 -0.00183 0.00100 0.01136 28 4PZ -0.00493 0.00857 -0.00532 0.00046 -0.00173 29 5PX -0.06291 0.22818 -0.14688 -0.30714 0.22144 30 5PY 0.14518 0.07770 0.11811 0.14992 -0.09347 31 5PZ -0.01133 -0.19390 0.14568 0.11745 -0.13209 32 6PX 0.21697 0.02674 -0.10218 -0.06379 0.22421 33 6PY 0.48653 -0.08871 0.21156 0.39718 -0.80338 34 6PZ -0.35910 0.03148 -0.10823 -0.05236 0.16720 35 7D 0 0.00393 -0.02867 0.01263 0.00703 -0.00375 36 7D+1 -0.06174 0.02956 -0.06303 0.01702 -0.05161 37 7D-1 -0.03180 -0.06808 0.05372 -0.12657 -0.04103 38 7D+2 0.01664 -0.10336 -0.09619 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-0.05113 0.04365 59 7D-1 0.01456 -0.02278 -0.10187 0.18379 -0.01417 60 7D+2 -0.00006 0.12379 0.16826 -0.00249 -0.01236 61 7D-2 -0.01077 -0.03316 -0.11147 0.01620 0.05725 62 8D 0 0.00890 0.02564 -0.04504 0.01758 -0.04763 63 8D+1 -0.01961 0.32166 -0.11013 0.07498 -0.06485 64 8D-1 -0.00979 0.03355 0.15193 -0.24857 0.02897 65 8D+2 0.01308 -0.15794 -0.21830 0.01339 0.02321 66 8D-2 0.02058 0.03365 0.17422 -0.02271 -0.09332 67 4 Cu 1S 0.02532 -0.07353 0.01709 -0.03388 -0.00001 68 2S 0.03442 -0.11749 0.02203 -0.04213 -0.01976 69 3S -0.31852 0.36446 -1.01554 2.13822 0.56941 70 4PX 0.00555 -0.00323 0.00592 -0.01160 0.00762 71 4PY -0.00189 -0.00124 -0.00009 0.00183 -0.00905 72 4PZ 0.00274 -0.00122 0.00238 -0.00544 0.00435 73 5PX -0.04564 0.13326 -0.08545 0.35064 -0.13111 74 5PY 0.31257 -0.10151 0.09167 -0.28021 0.27286 75 5PZ -0.05654 0.06551 -0.24756 0.08153 -0.09689 76 6PX 0.37846 -0.09890 0.02594 0.01969 -0.76674 77 6PY 0.45758 -0.13767 0.47737 -1.20462 -0.36992 78 6PZ 0.13930 -0.03312 -0.18026 0.06395 -0.32266 79 7D 0 0.00973 -0.13490 0.05359 -0.00771 0.04810 80 7D+1 -0.01760 0.16452 -0.03470 0.03167 -0.02041 81 7D-1 0.00377 0.04039 -0.19242 -0.16559 -0.00785 82 7D+2 -0.01413 0.11581 0.03030 0.00570 0.02786 83 7D-2 0.00752 0.14410 0.14826 -0.05645 -0.05338 84 8D 0 -0.00097 0.16841 -0.08790 -0.01556 -0.07239 85 8D+1 0.01639 -0.21167 0.02285 -0.04658 0.02628 86 8D-1 0.00167 -0.04988 0.27336 0.22412 0.01587 87 8D+2 0.02954 -0.15488 -0.02407 -0.01649 -0.04557 88 8D-2 -0.00311 -0.17712 -0.20761 0.07000 0.08986 89 5 Cu 1S 0.00764 -0.04075 0.04809 -0.00301 0.10926 90 2S 0.05956 -0.09075 0.07847 -0.00455 0.24375 91 3S -0.16608 -0.59827 -2.04436 0.16228 -1.74068 92 4PX 0.00009 -0.00094 0.00004 0.00600 -0.00264 93 4PY 0.00401 -0.00550 -0.00042 0.00117 0.01105 94 4PZ 0.00642 -0.01273 -0.00391 -0.00052 -0.00337 95 5PX -0.03843 0.01778 0.07818 -0.07810 0.04769 96 5PY 0.14062 0.12505 -0.12414 0.00132 -0.04854 97 5PZ -0.06712 0.27764 0.40118 -0.02043 0.26398 98 6PX -0.07609 0.03165 0.11416 0.07293 0.20263 99 6PY 0.55259 -0.12449 -0.45555 0.05622 -0.79302 100 6PZ 0.29887 0.01085 0.09323 -0.00900 0.22426 101 7D 0 0.04687 -0.08904 0.02821 -0.02323 0.03244 102 7D+1 0.00485 -0.01319 0.02502 0.08132 0.00614 103 7D-1 0.05215 0.01084 -0.08956 0.04143 0.04742 104 7D+2 -0.02684 -0.08607 0.05631 0.06303 -0.03864 105 7D-2 -0.00408 -0.03315 0.00138 -0.12522 -0.01003 106 8D 0 -0.04042 0.10640 -0.05838 0.03213 -0.04244 107 8D+1 0.00182 0.01661 -0.04301 -0.10712 -0.01107 108 8D-1 -0.07291 -0.02512 0.13182 -0.05587 -0.06063 109 8D+2 0.02364 0.11460 -0.06537 -0.08306 0.06548 110 8D-2 -0.00058 0.04267 0.00420 0.16209 0.01989 111 6 Cu 1S 0.00172 -0.01090 0.00031 0.00053 0.10860 112 2S -0.00589 0.00276 0.00070 0.00081 0.18727 113 3S -1.11511 0.12389 0.05554 -0.02667 -1.15374 114 4PX 0.00233 -0.00254 0.00034 -0.00814 0.00285 115 4PY -0.00958 0.01042 0.00195 -0.00188 -0.01210 116 4PZ 0.00215 -0.00239 0.00838 0.00080 0.00261 117 5PX -0.07360 0.03402 -0.00515 0.10724 -0.12794 118 5PY 0.30156 -0.14128 -0.03613 0.02945 0.52182 119 5PZ -0.06795 0.03283 -0.11698 -0.01453 -0.11950 120 6PX 0.02015 -0.04290 0.00316 -0.42285 -0.09152 121 6PY -0.09316 0.19275 0.09459 -0.09691 0.34298 122 6PZ 0.01301 -0.02893 0.40163 0.02326 -0.07903 123 7D 0 0.00424 -0.09151 0.10010 -0.06026 0.04488 124 7D+1 -0.00077 0.01769 0.02458 0.19337 -0.00835 125 7D-1 0.00337 -0.07372 0.16215 0.04462 0.03339 126 7D+2 0.00600 -0.15759 -0.11525 0.06595 0.07613 127 7D-2 0.00318 -0.08053 -0.02946 -0.05716 0.03795 128 8D 0 -0.00392 0.12184 -0.14881 0.08616 -0.05370 129 8D+1 0.00066 -0.02349 -0.03830 -0.27655 0.00979 130 8D-1 -0.00300 0.09805 -0.22249 -0.06231 -0.03892 131 8D+2 -0.00511 0.20982 0.16292 -0.09010 -0.09094 132 8D-2 -0.00272 0.10731 0.04263 0.07293 -0.04482 133 7 Cu 1S 0.00754 -0.03991 -0.01848 0.04039 0.11024 134 2S 0.05891 -0.08871 -0.02974 0.06444 0.24520 135 3S -0.16489 -0.63171 0.83589 -1.84905 -1.75951 136 4PX -0.00688 0.01275 0.00089 0.00438 -0.00231 137 4PY 0.00039 0.00187 -0.00115 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3 3S -0.00818 0.02471 -0.03827 0.10588 -0.01488 4 4PX -0.00027 0.01163 -0.00032 -0.00613 0.00815 5 4PY -0.00260 0.00246 0.00017 -0.00396 0.00039 6 4PZ -0.01176 -0.00080 0.00003 -0.00764 -0.00678 7 5PX 0.00516 -0.35788 0.00052 -0.01839 0.00892 8 5PY 0.07780 -0.07936 -0.00013 -0.01394 0.00372 9 5PZ 0.35240 0.02376 0.00048 -0.01656 -0.02174 10 6PX -0.01374 1.23931 0.01569 0.49949 -0.68701 11 6PY -0.25264 0.27837 -0.00661 0.26160 -0.05016 12 6PZ -1.23606 -0.08397 0.00101 0.66333 0.55273 13 7D 0 0.01830 -0.02595 -0.00090 -0.06066 -0.00269 14 7D+1 -0.00095 0.08840 0.00353 0.05632 -0.09535 15 7D-1 0.11348 0.02061 0.00156 -0.06733 -0.08280 16 7D+2 -0.05434 0.05284 0.00057 0.08219 0.00390 17 7D-2 -0.01516 -0.07288 -0.00158 -0.01422 0.04778 18 8D 0 -0.00828 0.04034 0.00180 0.07538 -0.00654 19 8D+1 0.01384 -0.14472 -0.00533 -0.09270 0.13790 20 8D-1 -0.22068 -0.03685 -0.00235 0.12319 0.14633 21 8D+2 0.09426 -0.10441 -0.00068 -0.13880 0.00376 22 8D-2 0.02555 0.15840 0.00345 0.04152 -0.09825 23 2 Cu 1S -0.03134 -0.04280 -0.00143 -0.00136 0.05694 24 2S -0.09019 -0.12456 -0.00355 -0.00156 0.10683 25 3S 0.54666 0.76157 0.02950 0.10093 -2.05820 26 4PX -0.00328 -0.00080 0.00124 0.00093 -0.00033 27 4PY -0.01018 -0.01215 0.00042 0.00151 -0.01228 28 4PZ 0.00244 0.00848 0.00130 0.00105 0.00553 29 5PX -0.03585 -0.08330 -0.00932 -0.02935 0.32696 30 5PY 0.17109 0.21869 0.00347 0.01803 -0.33755 31 5PZ -0.00366 -0.05460 -0.00327 -0.01265 -0.10961 32 6PX -0.00255 -0.36967 -0.04364 -0.09175 0.04915 33 6PY 0.26390 0.18814 -0.01347 -0.03799 -0.36847 34 6PZ 0.30400 -0.08564 -0.04060 -0.12604 0.10279 35 7D 0 0.03363 0.11207 0.08928 0.07642 0.09224 36 7D+1 0.09417 0.11390 -0.09802 -0.04274 -0.06082 37 7D-1 0.03614 0.06745 0.15751 0.04161 -0.02034 38 7D+2 0.06445 0.05051 -0.16271 -0.07339 0.08189 39 7D-2 0.07900 0.09131 0.04806 -0.02095 0.10199 40 8D 0 -0.05852 -0.18005 -0.14758 -0.13221 -0.11382 41 8D+1 -0.15230 -0.18177 0.15996 0.07347 0.10499 42 8D-1 -0.05425 -0.10957 -0.25581 -0.07104 0.01785 43 8D+2 -0.10569 -0.08170 0.26481 0.12393 -0.11117 44 8D-2 -0.12669 -0.15254 -0.07762 0.02891 -0.09890 45 3 Cu 1S 0.08920 0.12429 0.00137 -0.00098 -0.00075 46 2S 0.15426 0.21537 0.00200 -0.00316 0.03409 47 3S -1.81787 -2.52102 -0.07418 -0.12121 2.46445 48 4PX -0.00008 -0.00523 -0.00635 -0.00543 0.00108 49 4PY 0.00803 0.00842 -0.00311 -0.00391 0.01316 50 4PZ 0.00234 -0.00344 -0.00802 -0.00704 -0.00625 51 5PX 0.01095 0.23492 0.14742 0.12435 -0.17234 52 5PY -0.01363 0.09902 0.08204 0.09979 -0.51749 53 5PZ -0.24216 -0.04121 0.17992 0.14558 0.34212 54 6PX -0.19777 -0.02701 -0.11391 0.13631 0.96556 55 6PY 0.51554 0.90044 -0.06644 0.19614 -2.09766 56 6PZ -0.36641 -0.12606 -0.16097 0.21279 0.13380 57 7D 0 0.09406 -0.00741 0.05309 -0.20363 0.11409 58 7D+1 0.01902 0.01321 0.06159 0.02478 -0.00969 59 7D-1 -0.00920 0.07117 -0.13572 0.03267 -0.06790 60 7D+2 0.04744 0.05378 0.09153 0.04869 0.07015 61 7D-2 -0.03056 0.06313 -0.09853 0.08346 0.22975 62 8D 0 -0.15288 0.04680 -0.08234 0.33431 -0.16696 63 8D+1 -0.01308 0.00160 -0.09993 -0.03353 0.00152 64 8D-1 0.01254 -0.13090 0.21960 -0.06537 0.09744 65 8D+2 -0.07630 -0.09006 -0.14944 -0.07115 -0.09521 66 8D-2 0.09031 -0.06725 0.15772 -0.14726 -0.33826 67 4 Cu 1S 0.06442 -0.13850 -0.00141 0.00056 0.00114 68 2S 0.11162 -0.23973 -0.00137 0.03169 -0.01465 69 3S -1.31502 2.81517 0.05582 2.19601 -1.12157 70 4PX -0.00251 0.00010 -0.00458 -0.00574 0.00717 71 4PY 0.00548 -0.01091 0.00111 0.00925 -0.00617 72 4PZ 0.00335 0.00374 0.00958 -0.00761 -0.00608 73 5PX -0.02055 0.26727 0.11191 0.36569 -0.28852 74 5PY -0.02602 0.01138 -0.02775 -0.33917 0.19150 75 5PZ -0.22824 0.00991 -0.22059 0.29389 0.06757 76 6PX -0.06239 0.39052 -0.06361 -0.03327 -0.11388 77 6PY 0.37438 -0.90039 0.03393 -2.03470 1.06220 78 6PZ -0.35392 0.14100 0.19564 0.35538 0.13315 79 7D 0 0.08988 -0.02924 -0.06533 0.02611 -0.17885 80 7D+1 0.03904 0.05586 -0.02296 -0.03557 -0.15290 81 7D-1 -0.03221 -0.06054 0.17620 -0.00010 0.01107 82 7D+2 0.00173 -0.06434 -0.00093 0.23730 -0.02892 83 7D-2 0.04723 -0.02125 -0.08629 -0.11238 0.02001 84 8D 0 -0.14432 0.00605 0.10279 -0.03026 0.29175 85 8D+1 -0.08221 -0.08638 0.03442 0.07119 0.24382 86 8D-1 0.05483 0.10807 -0.28541 -0.00565 -0.03405 87 8D+2 0.01831 0.07745 0.00355 -0.34713 0.02761 88 8D-2 -0.09962 0.07024 0.13925 0.17692 -0.02093 89 5 Cu 1S 0.05144 -0.00424 -0.00202 -0.04569 -0.03287 90 2S 0.15070 -0.01279 -0.00414 -0.08568 -0.06223 91 3S -0.91282 0.07477 0.02093 1.68219 1.15880 92 4PX -0.00254 0.00408 -0.00174 -0.00112 -0.00287 93 4PY 0.01702 -0.00053 -0.00031 0.01139 0.00668 94 4PZ 0.00430 -0.00101 0.00014 0.00082 0.00102 95 5PX 0.06533 -0.04106 0.00555 -0.10285 -0.04658 96 5PY -0.27157 0.01590 -0.00023 0.23516 0.15950 97 5PZ 0.08283 0.00093 -0.00235 -0.30357 -0.21315 98 6PX 0.06963 -0.37655 0.04760 -0.14717 0.09504 99 6PY -0.25837 -0.05690 0.01671 0.30202 0.23116 100 6PZ 0.35450 0.02336 -0.00433 -0.01372 -0.04431 101 7D 0 0.08395 0.00354 -0.05095 -0.03485 -0.06639 102 7D+1 0.05779 -0.05510 0.19478 -0.05228 0.12785 103 7D-1 -0.05431 -0.00384 0.06241 -0.13352 -0.05103 104 7D+2 -0.19427 0.01246 0.08778 -0.05850 -0.02109 105 7D-2 -0.09301 0.00045 -0.13082 -0.03745 -0.01355 106 8D 0 -0.13492 -0.00559 0.08346 0.06269 0.11600 107 8D+1 -0.09421 0.08774 -0.31862 0.10885 -0.20561 108 8D-1 0.09230 0.00602 -0.10186 0.16146 0.04358 109 8D+2 0.31312 -0.01768 -0.14264 0.07255 0.01709 110 8D-2 0.15010 -0.00697 0.21129 0.04008 0.00960 111 6 Cu 1S 0.00018 -0.00014 -0.00096 0.00044 -0.00004 112 2S 0.00071 -0.00043 -0.00232 0.00129 -0.00019 113 3S 0.00144 0.00301 -0.01618 0.01425 0.00319 114 4PX 0.00011 -0.00555 0.00007 0.00506 -0.00599 115 4PY 0.00131 -0.00127 0.00001 0.00231 -0.00021 116 4PZ 0.00580 0.00037 -0.00003 0.00569 0.00523 117 5PX -0.00030 0.16844 0.00385 0.01315 -0.02079 118 5PY -0.03821 0.03859 0.00342 0.00619 -0.00289 119 5PZ -0.17165 -0.00835 -0.00221 0.02270 0.01606 120 6PX 0.00501 -0.42987 -0.00011 -0.55408 0.68159 121 6PY 0.09502 -0.09860 -0.00261 -0.28117 0.03319 122 6PZ 0.42490 0.03028 -0.00162 -0.65515 -0.59248 123 7D 0 0.13527 -0.04765 -0.00007 0.19470 0.09285 124 7D+1 0.05928 0.13329 -0.00077 0.01469 0.15328 125 7D-1 0.00371 0.01831 0.00051 -0.10708 -0.08837 126 7D+2 -0.06555 -0.00371 0.00054 0.02210 -0.08203 127 7D-2 -0.02288 0.07750 -0.00269 -0.16232 0.17136 128 8D 0 -0.23047 0.08153 0.00016 -0.30967 -0.14464 129 8D+1 -0.10100 -0.22742 0.00101 -0.01617 -0.24967 130 8D-1 -0.00668 -0.03145 -0.00044 0.15617 0.12654 131 8D+2 0.11184 0.00629 -0.00024 -0.02436 0.12753 132 8D-2 0.03864 -0.13212 0.00348 0.25015 -0.25907 133 7 Cu 1S -0.02289 0.04831 -0.00206 0.05384 -0.02406 134 2S -0.06571 0.14007 -0.00400 0.10163 -0.04469 135 3S 0.40333 -0.86123 0.01154 -1.90125 0.90813 136 4PX 0.00602 -0.00902 0.00091 0.00587 -0.00398 137 4PY -0.00609 0.01152 -0.00003 -0.00903 0.00509 138 4PZ -0.00051 -0.00717 -0.00162 0.00455 -0.00066 139 5PX -0.03000 0.03259 -0.00160 -0.17046 0.09011 140 5PY 0.12868 -0.25806 -0.00382 -0.40557 0.19253 141 5PZ 0.00917 0.06122 0.00742 -0.04478 -0.00095 142 6PX -0.05737 -0.22399 -0.03323 0.13905 -0.00877 143 6PY 0.20091 -0.35249 0.00645 -0.32068 0.15243 144 6PZ 0.33228 0.11269 0.05261 0.00265 -0.17076 145 7D 0 0.05319 -0.17728 -0.03882 0.07180 0.02090 146 7D+1 -0.07851 0.10117 -0.08840 0.08021 0.03103 147 7D-1 0.00151 -0.03996 -0.22337 0.04716 0.05604 148 7D+2 0.05916 -0.08047 0.06840 0.11608 -0.10611 149 7D-2 -0.00477 0.02382 0.08907 -0.00311 -0.01830 150 8D 0 -0.08939 0.28547 0.06460 -0.08532 -0.05245 151 8D+1 0.12383 -0.16273 0.14561 -0.13087 -0.05532 152 8D-1 0.00165 0.06625 0.36329 -0.07975 -0.09818 153 8D+2 -0.09558 0.13432 -0.11175 -0.12992 0.14615 154 8D-2 0.00624 -0.04119 -0.14453 -0.02175 0.04535 155 8 Cu 1S -0.15300 0.01449 -0.00062 0.00140 -0.00051 156 2S -0.26463 0.02466 -0.00060 -0.02810 -0.01987 157 3S 3.10030 -0.29565 0.01164 -2.06628 -1.34226 158 4PX 0.00246 -0.00543 0.01037 -0.00310 0.00868 159 4PY -0.01086 -0.00012 0.00226 -0.01335 -0.00625 160 4PZ 0.00426 0.00016 -0.00144 -0.00105 -0.00263 161 5PX 0.00618 0.22125 -0.23124 0.04477 -0.20887 162 5PY -0.11780 0.05870 -0.05036 0.51611 0.28959 163 5PZ -0.25043 -0.00356 0.03112 0.19910 0.15913 164 6PX 0.24991 0.25074 0.20345 -0.32244 -0.54059 165 6PY -1.03263 0.14337 0.05052 1.70666 1.05133 166 6PZ 0.07204 -0.03688 -0.05232 -0.87304 -0.52474 167 7D 0 -0.02200 -0.01014 0.01153 -0.01438 0.04710 168 7D+1 0.01960 0.04583 -0.03816 0.15188 -0.11019 169 7D-1 -0.01763 -0.00380 -0.03754 -0.19659 -0.14879 170 7D+2 -0.09637 -0.02443 -0.08646 -0.07631 -0.01665 171 7D-2 -0.03652 0.09602 0.18130 0.00873 -0.14911 172 8D 0 0.07307 0.01716 -0.01945 0.01237 -0.08110 173 8D+1 -0.01051 -0.09239 0.06489 -0.23707 0.17880 174 8D-1 -0.01631 0.00975 0.06121 0.28500 0.21468 175 8D+2 0.13624 0.04709 0.13973 0.12083 0.01513 176 8D-2 0.04129 -0.17246 -0.29189 -0.03288 0.25006 177 9 C 1S 0.00052 -0.00017 0.00038 -0.00107 0.00000 178 2S -0.00244 0.00344 -0.00730 0.02251 -0.00250 179 3S 0.00800 -0.00566 0.01109 -0.04457 0.00616 180 4PX 0.00058 -0.01618 0.00021 0.02354 -0.03179 181 4PY 0.00154 -0.00350 0.00234 0.00765 0.00000 182 4PZ 0.01590 0.00086 -0.00070 0.02885 0.02302 183 5PX -0.00341 0.65879 0.00402 -0.02222 0.04727 184 5PY -0.15518 0.15195 0.00003 -0.01290 0.00728 185 5PZ -0.65540 -0.03967 -0.00221 -0.03557 -0.02361 186 10 O 1S 0.00010 0.00000 -0.00008 0.00011 -0.00004 187 2S 0.00062 -0.00002 -0.00002 -0.00012 -0.00024 188 3S -0.00463 0.00104 -0.00022 0.00404 0.00089 189 4PX -0.00476 0.56040 0.00487 0.03646 -0.03481 190 4PY -0.12654 0.12801 0.00300 0.01042 0.00107 191 4PZ -0.56202 -0.03396 -0.00292 0.04049 0.03780 192 5PX 0.00910 -1.03633 -0.00971 -0.06415 0.05991 193 5PY 0.23192 -0.23718 -0.00174 -0.02518 -0.00026 194 5PZ 1.03868 0.06274 0.00453 -0.07015 -0.06850 156 157 158 159 160 V V V V V EIGENVALUES -- 0.81756 0.82590 0.83651 0.83936 0.87184 1 1 Cu 1S -0.08400 0.00072 -0.00041 -0.00317 0.00007 2 2S -0.08781 0.00127 -0.00005 -0.00166 0.00082 3 3S 5.00125 -0.03294 0.04891 0.25490 0.02077 4 4PX 0.00273 0.00069 -0.00385 0.00021 -0.00320 5 4PY -0.01097 0.00013 -0.00120 -0.00202 -0.00113 6 4PZ 0.00265 -0.00026 0.00021 -0.00368 0.00014 7 5PX 0.28216 -0.01473 0.44686 0.02604 0.37824 8 5PY -1.18080 0.00887 0.09440 0.07236 0.10322 9 5PZ 0.24918 0.00324 -0.04248 0.46514 -0.01391 10 6PX -0.02453 -0.14461 1.93032 0.06870 -0.12680 11 6PY -0.13035 -0.02492 0.43245 0.44819 -0.02394 12 6PZ -0.09412 0.06132 -0.16335 1.99649 0.02488 13 7D 0 0.03239 0.00026 -0.01650 -0.06988 -0.00868 14 7D+1 -0.00583 -0.01025 0.04283 -0.03399 0.00464 15 7D-1 0.02262 -0.00327 -0.00167 0.04185 -0.00430 16 7D+2 0.04829 -0.00098 -0.02226 0.01408 -0.04036 17 7D-2 0.02533 -0.00059 0.07230 0.00890 0.09013 18 8D 0 -0.10934 -0.00008 0.03263 0.14077 0.02016 19 8D+1 0.02080 0.01631 -0.08878 0.06880 -0.01614 20 8D-1 -0.08337 0.00571 0.00151 -0.08367 0.00778 21 8D+2 -0.17496 0.00244 0.04364 -0.03427 0.08241 22 8D-2 -0.09164 0.00068 -0.14445 -0.02038 -0.18829 23 2 Cu 1S 0.09595 -0.00284 0.05703 -0.03442 0.02793 24 2S 0.21417 -0.00695 0.12409 -0.07577 0.06753 25 3S -2.36940 -0.01845 -1.27180 0.72356 -0.43175 26 4PX -0.01494 -0.00146 -0.00326 -0.00216 -0.00094 27 4PY 0.01488 -0.00199 0.00777 -0.00670 0.00741 28 4PZ 0.00553 -0.00132 -0.00449 -0.00107 -0.00170 29 5PX 0.38238 0.00057 0.21272 -0.13072 0.04979 30 5PY 0.06284 -0.00911 -0.23559 0.14718 -0.12176 31 5PZ -0.31410 -0.00959 -0.08066 0.01360 -0.05157 32 6PX 0.26282 0.03295 -0.01341 -0.25096 -0.16747 33 6PY -0.13564 -0.01632 0.28928 -0.35242 -0.11346 34 6PZ -0.11641 0.07229 -0.39458 -0.11342 0.10511 35 7D 0 -0.08477 -0.26679 0.06326 0.06265 -0.01498 36 7D+1 -0.13646 0.00076 0.07332 -0.00016 -0.04712 37 7D-1 -0.01350 0.08230 0.09091 -0.19823 0.14319 38 7D+2 -0.00977 0.02986 0.13820 -0.02005 -0.04538 39 7D-2 -0.10940 0.18158 -0.11073 -0.05039 0.05140 40 8D 0 0.12614 0.46874 -0.10268 -0.12372 0.02268 41 8D+1 0.24034 -0.00175 -0.11738 -0.00660 0.09284 42 8D-1 0.04840 -0.14554 -0.16198 0.35434 -0.26028 43 8D+2 0.01388 -0.05014 -0.24063 0.03511 0.08292 44 8D-2 0.14264 -0.31467 0.21667 0.07825 -0.09774 45 3 Cu 1S 0.00546 -0.00114 0.02738 -0.01714 0.02639 46 2S -0.00257 0.00195 0.01544 -0.00935 0.01964 47 3S 0.48138 0.12992 -0.22986 0.17975 -1.49390 48 4PX 0.01044 -0.00581 0.01127 -0.00440 -0.01104 49 4PY -0.01344 -0.00106 -0.00938 0.00699 -0.00402 50 4PZ -0.00238 -0.00637 -0.00302 0.00553 -0.00958 51 5PX 0.09486 0.07238 0.16604 -0.19023 0.50867 52 5PY -0.23859 0.02940 -0.14508 0.03677 0.04628 53 5PZ 0.03037 0.14311 -0.14225 -0.02130 -0.08248 54 6PX 0.56738 0.06204 -0.35161 0.28288 0.67574 55 6PY -0.29822 -0.12811 0.16469 -0.13619 -0.59839 56 6PZ -0.31394 -0.01513 0.21235 -0.13770 -0.22466 57 7D 0 -0.05923 0.00214 -0.08438 -0.16712 -0.05723 58 7D+1 -0.01360 0.00811 0.08120 -0.02870 -0.01286 59 7D-1 0.00529 -0.02658 -0.03308 0.06349 -0.04787 60 7D+2 -0.05282 0.02740 -0.03770 0.07450 -0.00907 61 7D-2 -0.11483 -0.00173 0.12570 0.03651 0.00404 62 8D 0 0.08662 0.01221 0.13638 0.28197 0.10048 63 8D+1 0.02625 -0.01905 -0.12241 0.04094 0.03792 64 8D-1 -0.01283 0.04611 0.05156 -0.10567 0.07478 65 8D+2 0.06927 -0.04982 0.04922 -0.11423 0.00128 66 8D-2 0.17687 0.00169 -0.21369 -0.05876 -0.01068 67 4 Cu 1S 0.00636 0.00055 -0.02853 -0.01414 -0.03115 68 2S -0.00163 -0.00202 -0.01529 -0.00765 -0.02515 69 3S 0.41947 -0.11770 0.26631 0.12654 1.69878 70 4PX -0.00440 -0.00349 0.00764 0.00188 -0.00693 71 4PY -0.01690 -0.00042 0.01404 0.00647 -0.00098 72 4PZ -0.00005 0.00758 0.00005 0.00374 0.00855 73 5PX 0.01059 0.03856 0.14190 0.12449 0.50484 74 5PY -0.24636 -0.00731 0.20848 0.09218 0.19272 75 5PZ 0.03398 -0.15479 0.09697 -0.07633 0.01867 76 6PX -0.46256 0.00940 -0.33455 -0.19177 0.46382 77 6PY -0.44201 0.11837 -0.37370 -0.16983 0.91684 78 6PZ -0.15085 0.01563 -0.11121 -0.05037 0.08198 79 7D 0 -0.06957 -0.01210 0.01526 -0.15467 0.05774 80 7D+1 0.00785 -0.00365 0.08586 -0.11607 -0.01591 81 7D-1 -0.01256 0.03208 0.03554 0.04088 0.03726 82 7D+2 -0.12022 -0.01250 -0.03255 0.05944 0.00184 83 7D-2 0.03803 -0.01524 0.13254 0.03085 0.02373 84 8D 0 0.10467 0.00985 -0.02596 0.25794 -0.10578 85 8D+1 -0.01404 -0.00610 -0.13646 0.19698 0.03386 86 8D-1 0.01446 -0.05918 -0.05322 -0.06740 -0.05348 87 8D+2 0.17619 0.02381 0.07090 -0.09253 0.01198 88 8D-2 -0.06923 0.02608 -0.21015 -0.04498 -0.02556 89 5 Cu 1S 0.09325 -0.00068 0.00321 0.07228 0.00430 90 2S 0.20794 -0.00116 0.00727 0.15803 0.01037 91 3S -2.32579 0.02066 -0.06341 -1.63425 -0.05942 92 4PX -0.00492 0.00226 -0.00499 -0.00259 0.00071 93 4PY 0.01159 0.00076 0.00008 0.01142 0.00124 94 4PZ -0.01726 -0.00020 0.00048 -0.00226 -0.00021 95 5PX 0.03416 0.01302 -0.01547 0.09718 -0.07398 96 5PY 0.16078 0.00190 -0.01373 -0.23445 -0.02924 97 5PZ 0.46511 -0.00646 0.01705 0.32066 0.02367 98 6PX 0.07156 -0.03024 -0.39520 -0.04883 -0.07642 99 6PY -0.14084 0.00746 -0.04718 0.50494 -0.02621 100 6PZ 0.28204 0.00430 0.07357 0.20531 -0.01323 101 7D 0 0.11595 0.04818 0.00721 0.06770 0.02725 102 7D+1 0.06167 -0.19747 -0.01928 0.02691 -0.08940 103 7D-1 -0.05167 -0.01139 0.01183 -0.13582 -0.05787 104 7D+2 -0.12174 0.07158 0.08694 0.16594 -0.10174 105 7D-2 -0.06387 -0.23203 -0.18487 0.06579 0.22021 106 8D 0 -0.19125 -0.08450 -0.01476 -0.13430 -0.05233 107 8D+1 -0.09237 0.34545 0.03874 -0.05737 0.17025 108 8D-1 0.03559 0.01904 -0.02125 0.25728 0.10641 109 8D+2 0.20913 -0.12602 -0.15448 -0.27990 0.18745 110 8D-2 0.10146 0.40653 0.33063 -0.10799 -0.40316 111 6 Cu 1S -0.00461 -0.00099 -0.00061 -0.00183 -0.00101 112 2S 0.03456 -0.00201 -0.00098 -0.00244 -0.00162 113 3S 1.41068 0.00275 0.01282 0.06425 0.03271 114 4PX 0.00114 -0.00008 -0.01004 -0.00054 0.00177 115 4PY -0.00465 0.00006 -0.00219 -0.00257 0.00060 116 4PZ 0.00133 -0.00002 0.00118 -0.01014 -0.00026 117 5PX 0.06710 -0.00555 0.14540 0.01108 0.14664 118 5PY -0.27970 -0.00253 0.02889 0.02259 0.02570 119 5PZ 0.05959 0.00296 -0.01544 0.15201 -0.00149 120 6PX 0.00596 0.05053 -0.04110 0.00687 0.25363 121 6PY 0.04905 0.00501 -0.01408 -0.00864 0.05388 122 6PZ 0.01086 -0.01806 -0.01183 -0.03344 -0.01509 123 7D 0 -0.02851 0.00011 0.00707 -0.07238 -0.12712 124 7D+1 0.00762 0.00503 -0.02446 -0.04712 0.35831 125 7D-1 -0.02644 0.00018 -0.02731 0.15913 0.06209 126 7D+2 -0.04912 -0.00194 -0.07745 -0.03933 0.09100 127 7D-2 -0.02370 0.00535 0.16218 0.00253 -0.00301 128 8D 0 0.03276 0.00002 -0.01294 0.12267 0.23863 129 8D+1 -0.00995 -0.00809 0.04568 0.08147 -0.67038 130 8D-1 0.03259 -0.00098 0.04736 -0.27850 -0.11537 131 8D+2 0.05705 0.00243 0.13426 0.06873 -0.16355 132 8D-2 0.02710 -0.00704 -0.28050 -0.00410 -0.01008 133 7 Cu 1S 0.09527 -0.00043 -0.05897 -0.02835 -0.03243 134 2S 0.21329 -0.00012 -0.12881 -0.06207 -0.07844 135 3S -2.33925 0.05140 1.28198 0.59984 0.47728 136 4PX 0.00862 -0.00161 0.00222 0.00381 0.00299 137 4PY 0.02011 0.00094 -0.00874 -0.00398 -0.00796 138 4PZ 0.00185 0.00189 0.00478 -0.00273 0.00185 139 5PX -0.44588 0.00478 0.11110 0.05029 0.01823 140 5PY -0.10368 0.00906 0.31545 0.15680 0.14803 141 5PZ -0.18966 0.01032 0.02563 -0.01809 0.02776 142 6PX -0.21503 0.01556 0.25081 0.29718 -0.23711 143 6PY -0.21945 0.02080 -0.27834 -0.19372 0.02868 144 6PZ -0.06365 -0.08631 0.33586 -0.24395 -0.07455 145 7D 0 -0.14106 0.22260 -0.09848 0.03600 0.00684 146 7D+1 0.08980 0.19605 0.08799 0.10055 0.02540 147 7D-1 0.00363 -0.08663 -0.02461 -0.16894 -0.12361 148 7D+2 -0.05995 -0.11655 0.01596 -0.01631 0.00095 149 7D-2 0.08326 0.08146 -0.18480 -0.00758 -0.00132 150 8D 0 0.22820 -0.39081 0.15891 -0.07726 -0.01247 151 8D+1 -0.16912 -0.34352 -0.14674 -0.17921 -0.03956 152 8D-1 0.00197 0.15218 0.04444 0.30073 0.22761 153 8D+2 0.06084 0.20072 -0.04343 0.02113 0.00424 154 8D-2 -0.11103 -0.14229 0.34017 0.02068 0.00101 155 8 Cu 1S 0.00316 -0.00001 0.00122 0.03230 0.00501 156 2S -0.00517 -0.00103 -0.00042 0.01701 0.00463 157 3S 0.50671 -0.03896 -0.03729 -0.27643 -0.24522 158 4PX 0.00409 0.00919 0.00463 0.00426 -0.02421 159 4PY -0.01129 0.00157 -0.00002 -0.01014 -0.00523 160 4PZ 0.01057 -0.00108 0.00054 0.01478 0.00309 161 5PX 0.05751 -0.16490 -0.13107 0.07424 0.39788 162 5PY -0.23153 -0.02812 -0.02580 -0.10816 0.09222 163 5PZ 0.09242 0.03149 0.03660 0.29428 0.01008 164 6PX 0.16234 -0.01658 0.00943 -0.10229 0.08117 165 6PY -0.23551 0.02403 0.04870 0.10700 -0.04269 166 6PZ 0.75140 -0.02490 -0.05484 -0.51181 0.09045 167 7D 0 0.01428 0.01044 -0.05009 -0.12669 -0.02038 168 7D+1 0.03492 -0.04431 0.16056 -0.05499 0.07471 169 7D-1 -0.10796 -0.01263 0.01105 0.06111 0.01723 170 7D+2 -0.06490 -0.01159 -0.03583 -0.02125 -0.00184 171 7D-2 -0.04800 0.00439 0.13454 -0.01004 0.00717 172 8D 0 -0.03289 -0.02160 0.08167 0.19194 0.03297 173 8D+1 -0.05496 0.08811 -0.26487 0.08932 -0.13284 174 8D-1 0.16524 0.02213 -0.01963 -0.11353 -0.02901 175 8D+2 0.09159 0.01888 0.05980 0.02764 0.00695 176 8D-2 0.07096 -0.00187 -0.22630 0.01238 -0.02253 177 9 C 1S -0.04838 0.00027 -0.00043 -0.00201 -0.00015 178 2S 1.18116 -0.00768 0.00941 0.05318 0.00086 179 3S -2.69556 0.01792 -0.02066 -0.11825 0.00264 180 4PX 0.09022 -0.00723 0.10644 0.00626 0.06678 181 4PY -0.37611 0.00207 0.02288 0.01338 0.01778 182 4PZ 0.08034 0.00189 -0.00829 0.11068 -0.00153 183 5PX 0.02548 0.02966 -0.69429 -0.02239 -0.54673 184 5PY -0.07572 0.00545 -0.15768 -0.17242 -0.12953 185 5PZ 0.05252 -0.01294 0.06004 -0.70707 0.01203 186 10 O 1S 0.00971 -0.00005 0.00010 0.00028 0.00001 187 2S -0.01649 -0.00025 -0.00054 0.00001 -0.00033 188 3S 0.17050 -0.00030 0.00184 0.00845 0.00070 189 4PX 0.10263 0.00728 -0.28239 -0.00575 -0.22850 190 4PY -0.41570 0.00380 -0.06590 -0.08365 -0.05402 191 4PZ 0.10792 -0.00413 0.02539 -0.28179 0.00563 192 5PX -0.07729 -0.01765 0.60506 0.01755 0.49946 193 5PY 0.30318 -0.00398 0.13834 0.15918 0.11911 194 5PZ -0.09646 0.00829 -0.05371 0.61067 -0.01235 161 162 163 164 165 V V V V V EIGENVALUES -- 0.87197 0.88261 0.91797 0.95976 0.96007 1 1 Cu 1S -0.00007 0.04572 -0.05342 -0.00031 0.00001 2 2S -0.00310 0.11893 0.10648 0.00141 -0.00014 3 3S -0.06915 -0.42945 3.68933 0.01138 0.00346 4 4PX -0.00040 0.00258 0.01480 -0.00043 0.00796 5 4PY 0.00183 -0.01071 -0.06161 -0.00158 0.00116 6 4PZ 0.00285 0.00235 0.01348 -0.00723 -0.00075 7 5PX 0.02029 -0.25883 -0.67759 -0.00256 0.05722 8 5PY -0.12670 1.07551 2.79326 -0.01599 0.02236 9 5PZ -0.36632 -0.24499 -0.62302 -0.09382 -0.00316 10 6PX 0.00684 0.00698 -0.22497 0.02826 -0.47681 11 6PY 0.03083 -0.13027 0.97963 0.08449 -0.09792 12 6PZ 0.15129 -0.04026 -0.18790 0.41456 0.04966 13 7D 0 0.05715 -0.06396 -0.00678 -0.07696 -0.00114 14 7D+1 0.03045 0.01373 0.00218 -0.04690 0.01626 15 7D-1 -0.07485 -0.05434 -0.00867 0.14596 0.02275 16 7D+2 0.00827 -0.11450 -0.01799 -0.03069 0.07328 17 7D-2 0.00376 -0.05933 -0.00877 0.00225 -0.15754 18 8D 0 -0.12298 0.12745 0.01768 0.12105 0.01114 19 8D+1 -0.06541 -0.02790 -0.00537 0.08082 -0.06100 20 8D-1 0.15314 0.10929 0.02088 -0.28858 -0.04809 21 8D+2 -0.01320 0.22752 0.04146 0.07451 -0.14203 22 8D-2 -0.00626 0.11838 0.02071 0.00141 0.29208 23 2 Cu 1S 0.02206 -0.11382 -0.04480 0.05638 0.08925 24 2S 0.05305 -0.22546 -0.09705 0.09619 0.15257 25 3S -0.29993 -0.15022 1.12440 -2.02597 -3.18013 26 4PX -0.00131 -0.00070 -0.00251 -0.00858 -0.00982 27 4PY 0.00518 0.00283 0.00086 0.00003 0.00193 28 4PZ -0.00231 -0.00078 0.00184 0.00289 0.00874 29 5PX 0.09078 0.09211 -0.14024 0.38664 0.53742 30 5PY -0.05732 -0.25122 0.32240 -0.34957 -0.59944 31 5PZ 0.04205 0.03543 -0.02518 -0.08183 -0.20383 32 6PX -0.06753 -0.14819 -0.16887 0.10811 0.23753 33 6PY -0.05701 0.22276 -0.01610 -0.25187 -0.38421 34 6PZ 0.14720 0.03091 0.12979 -0.04727 0.02218 35 7D 0 0.03260 -0.07794 0.06757 -0.08344 -0.08623 36 7D+1 0.07745 0.01626 -0.01014 -0.06340 -0.16975 37 7D-1 -0.11689 -0.08791 0.10533 -0.06301 0.03425 38 7D+2 0.13394 -0.15203 0.15090 0.05247 -0.03952 39 7D-2 -0.10032 -0.06053 0.01444 -0.11205 -0.13073 40 8D 0 -0.05683 0.14067 -0.15541 0.18506 0.20084 41 8D+1 -0.13988 -0.02381 0.02020 0.13103 0.34384 42 8D-1 0.21813 0.16158 -0.20354 0.11704 -0.07827 43 8D+2 -0.24969 0.27301 -0.31643 -0.09365 0.09409 44 8D-2 0.17994 0.10793 -0.06408 0.25321 0.31185 45 3 Cu 1S 0.01951 -0.00693 0.09800 -0.07992 -0.12917 46 2S 0.01651 -0.04018 0.11827 -0.17729 -0.28561 47 3S -1.04213 -1.66540 -2.89392 1.67603 2.70214 48 4PX 0.01031 -0.00451 -0.00965 0.01287 0.00486 49 4PY 0.00725 -0.01021 -0.00636 0.00657 0.00236 50 4PZ 0.01662 0.00829 0.01005 0.00374 -0.01469 51 5PX 0.07059 0.61171 -0.01720 0.26363 0.49275 52 5PY -0.12022 -0.48302 0.97550 -0.55231 -0.84554 53 5PZ -0.43390 -0.27075 -0.38236 -0.05283 0.01691 54 6PX 0.44395 0.34516 0.11486 0.72318 0.79288 55 6PY -0.44176 -0.61673 0.44435 -1.33007 -2.31484 56 6PZ -0.20825 0.00439 -0.27012 0.37531 0.08745 57 7D 0 0.03885 -0.05926 -0.08132 0.07337 0.05517 58 7D+1 -0.03809 0.01676 -0.13358 0.09946 0.17462 59 7D-1 -0.01114 -0.06911 -0.13990 0.07414 0.11611 60 7D+2 -0.05171 -0.12268 -0.10469 0.02037 0.05938 61 7D-2 -0.01949 -0.03914 -0.03307 0.00748 0.03893 62 8D 0 -0.07526 0.11598 0.19450 -0.16136 -0.14586 63 8D+1 0.07479 -0.01816 0.28356 -0.19299 -0.33856 64 8D-1 0.02010 0.13764 0.29942 -0.14260 -0.22185 65 8D+2 0.07485 0.23119 0.24494 -0.06138 -0.14830 66 8D-2 0.03822 0.07589 0.09902 -0.05029 -0.12930 67 4 Cu 1S 0.01137 -0.00765 0.09823 -0.06972 0.13523 68 2S 0.00843 -0.04137 0.11756 -0.15530 0.29855 69 3S -0.65007 -1.64981 -2.90232 1.44533 -2.83153 70 4PX -0.00881 0.01026 0.01393 -0.01163 0.01026 71 4PY 0.00352 -0.00692 -0.00161 0.00141 0.00036 72 4PZ 0.02145 0.00592 0.00626 0.00859 0.01226 73 5PX -0.02475 -0.41562 -0.48808 -0.02425 0.09146 74 5PY -0.12530 -0.69949 0.87373 -0.53087 1.02148 75 5PZ -0.40445 -0.11338 -0.30593 -0.01802 -0.10587 76 6PX -0.17038 -0.04449 -0.36152 -0.01936 -0.24452 77 6PY -0.40420 -0.67729 0.32942 -1.25965 2.55401 78 6PZ -0.08069 0.05439 -0.18860 0.46859 -0.20691 79 7D 0 0.02560 -0.05861 -0.15725 0.10765 -0.15623 80 7D+1 0.06275 0.01804 0.13815 -0.05993 0.17372 81 7D-1 0.02089 -0.06084 -0.07367 0.02979 -0.04606 82 7D+2 -0.03478 -0.10327 -0.04252 -0.01300 -0.01090 83 7D-2 -0.01298 -0.08277 -0.06626 0.01070 -0.01928 84 8D 0 -0.04986 0.12138 0.35545 -0.22471 0.34202 85 8D+1 -0.11549 -0.04483 -0.29432 0.11793 -0.33366 86 8D-1 -0.03350 0.11763 0.16346 -0.06240 0.09740 87 8D+2 0.05401 0.19239 0.12550 -0.01029 0.08669 88 8D-2 0.01120 0.15400 0.13925 -0.01480 0.02681 89 5 Cu 1S -0.03346 -0.11590 -0.04497 -0.10706 0.00488 90 2S -0.08150 -0.23045 -0.09754 -0.18272 0.00860 91 3S 0.55038 -0.12412 1.10962 3.81497 -0.17124 92 4PX 0.00227 -0.00058 -0.00038 0.00210 0.00304 93 4PY -0.00947 0.00243 -0.00013 0.00130 0.00061 94 4PZ 0.00132 -0.00073 -0.00333 0.01589 -0.00117 95 5PX -0.05125 0.06173 -0.08490 -0.23243 -0.04761 96 5PY 0.12532 -0.23938 0.30961 0.58049 -0.03784 97 5PZ -0.11095 0.09069 -0.14513 -0.77012 0.04294 98 6PX -0.01030 -0.05916 -0.02361 -0.12437 0.07326 99 6PY 0.16264 0.17530 -0.04657 0.42695 -0.00992 100 6PZ 0.21713 -0.17356 -0.20436 -0.28398 -0.00229 101 7D 0 -0.02478 -0.09425 0.10331 -0.16826 0.02665 102 7D+1 -0.01797 0.00920 0.00164 -0.09383 -0.06528 103 7D-1 0.02840 -0.04150 0.00395 0.10520 -0.03150 104 7D+2 -0.05354 -0.16091 0.15228 0.14530 -0.04575 105 7D-2 0.00920 -0.07528 0.06497 0.08135 0.06366 106 8D 0 0.05039 0.16628 -0.20528 0.34541 -0.05334 107 8D+1 0.03328 -0.01706 0.00726 0.20687 0.12849 108 8D-1 -0.04314 0.07071 -0.04375 -0.27002 0.06501 109 8D+2 0.09710 0.29329 -0.32099 -0.31712 0.09111 110 8D-2 -0.01590 0.13638 -0.14282 -0.18358 -0.12321 111 6 Cu 1S 0.00514 -0.29771 -0.06507 -0.00115 0.00021 112 2S 0.00854 -0.52657 -0.10025 -0.00189 0.00026 113 3S -0.13796 5.80036 1.02724 -0.01029 0.00592 114 4PX 0.00011 -0.00915 0.00124 -0.00003 -0.00001 115 4PY -0.00132 0.03759 -0.00506 -0.00016 -0.00001 116 4PZ -0.00180 -0.00852 0.00116 0.00007 -0.00009 117 5PX -0.00514 0.38100 0.01894 -0.01300 0.21055 118 5PY 0.00597 -1.56091 -0.08516 -0.04658 0.04574 119 5PZ -0.15042 0.34867 0.01933 -0.20939 -0.02118 120 6PX -0.00458 0.17250 0.14322 -0.05748 0.99780 121 6PY -0.03982 -0.68546 -0.60678 -0.23814 0.21905 122 6PZ -0.25797 0.16226 0.13063 -0.97945 -0.11003 123 7D 0 0.23739 0.10534 0.02120 0.11275 -0.01454 124 7D+1 0.09952 -0.01931 -0.00456 0.05477 0.04038 125 7D-1 0.21085 0.08463 0.01848 -0.11512 -0.00946 126 7D+2 -0.20570 0.16191 0.03701 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-0.00732 0.02269 -0.03689 0.02802 -0.10970 147 7D-1 -0.20527 -0.07604 0.08112 -0.07945 -0.05484 148 7D+2 0.01867 -0.13478 0.09674 -0.01963 0.09209 149 7D-2 0.12152 -0.09531 0.12649 0.09202 -0.09456 150 8D 0 -0.10511 0.14965 -0.16581 0.20636 -0.36744 151 8D+1 0.01512 -0.04540 0.07071 -0.05506 0.21748 152 8D-1 0.37929 0.13750 -0.16344 0.15590 0.10828 153 8D+2 -0.03924 0.23988 -0.23036 0.06470 -0.23454 154 8D-2 -0.22282 0.17148 -0.23977 -0.19490 0.21390 155 8 Cu 1S -0.03211 -0.00597 0.09720 0.15198 -0.00592 156 2S -0.02263 -0.03652 0.11518 0.33570 -0.01319 157 3S 1.85164 -1.59666 -2.90418 -3.17296 0.12802 158 4PX -0.00202 0.00153 -0.00001 -0.00068 -0.01383 159 4PY -0.00010 -0.01180 -0.00908 -0.00822 -0.00257 160 4PZ 0.00399 -0.00660 -0.01273 -0.01369 0.00272 161 5PX -0.03073 0.18156 -0.20224 -0.28498 0.07871 162 5PY -0.05412 -0.37240 1.02338 0.94182 -0.02651 163 5PZ -0.57599 0.69315 0.06253 -0.61784 0.01840 164 6PX -0.26152 0.18106 -0.07380 -0.70660 -0.29602 165 6PY 0.61635 -0.60303 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2.79340 -0.97619 -0.54653 -0.17139 1.99767 70 4PX -0.01996 0.00850 0.00884 0.00362 -0.02378 71 4PY -0.01051 0.00250 0.01051 -0.00861 -0.00783 72 4PZ -0.00868 -0.00092 0.00281 0.00277 -0.01224 73 5PX 1.11926 -0.23641 -0.14045 -0.11202 1.14602 74 5PY 0.80660 -0.26914 0.18617 -0.44568 1.24210 75 5PZ 0.30422 -0.39549 -0.08654 0.01466 0.20321 76 6PX 0.68447 -0.15570 -0.15493 -0.31508 0.46226 77 6PY 1.41719 -0.40859 0.08013 -0.60472 0.62638 78 6PZ 0.08754 -0.21650 -0.07484 -0.07189 0.08710 79 7D 0 0.08239 0.02631 -0.00988 0.00459 0.08526 80 7D+1 -0.05083 0.09424 0.02994 0.03268 -0.04647 81 7D-1 0.04223 0.03777 -0.01720 0.06569 -0.01955 82 7D+2 -0.02014 -0.03696 0.02268 0.11481 -0.05552 83 7D-2 0.02625 -0.01674 -0.03191 0.11735 0.04010 84 8D 0 -0.18496 -0.05667 0.04572 -0.01124 -0.18941 85 8D+1 0.11986 -0.21013 -0.07211 -0.06193 0.10678 86 8D-1 -0.07406 -0.09258 0.04204 -0.12719 0.05495 87 8D+2 0.06434 0.07626 -0.02039 -0.23017 0.18190 88 8D-2 -0.01426 0.02596 0.06342 -0.22823 -0.05308 89 5 Cu 1S 0.00623 -0.02910 -0.05687 0.04341 0.00209 90 2S 0.00353 -0.02448 -0.17106 0.08401 0.00145 91 3S -0.54993 2.28139 -0.04119 -0.54313 -0.04105 92 4PX 0.00516 0.00301 0.00128 0.00034 -0.01438 93 4PY -0.00010 0.00498 -0.01847 -0.00649 -0.00297 94 4PZ -0.00558 0.01903 -0.01845 -0.00498 0.00247 95 5PX -0.15266 -0.15080 -0.01903 0.08056 0.22563 96 5PY -0.05255 0.06935 0.28456 -0.27886 -0.01361 97 5PZ 0.18841 -0.65588 0.27543 0.13297 -0.03740 98 6PX -0.32797 -0.06660 0.00372 -0.00261 -0.08404 99 6PY -0.09971 0.09492 -0.04283 -0.12235 -0.02036 100 6PZ 0.01369 0.18981 -0.04836 -0.15964 0.00775 101 7D 0 0.04277 0.02746 0.11626 0.09739 -0.07405 102 7D+1 -0.18236 -0.03905 -0.00009 0.05635 0.21773 103 7D-1 0.02575 -0.14240 0.22405 -0.10447 0.02584 104 7D+2 0.00362 0.22140 -0.11850 -0.02489 -0.03339 105 7D-2 -0.20118 0.02559 -0.01604 -0.02713 0.09978 106 8D 0 -0.08734 -0.05558 -0.23995 -0.20548 0.15750 107 8D+1 0.37148 0.08140 -0.00034 -0.12945 -0.46672 108 8D-1 -0.04973 0.28841 -0.45731 0.26560 -0.05251 109 8D+2 -0.00148 -0.45700 0.23979 0.05766 0.07706 110 8D-2 0.40174 -0.05745 0.03192 0.06630 -0.21987 111 6 Cu 1S 0.00092 -0.00099 0.01795 -0.12554 0.00500 112 2S 0.00136 -0.00158 0.02953 -0.24486 0.00909 113 3S -0.04137 0.07549 -0.12303 3.10854 -0.10021 114 4PX -0.00253 -0.00030 0.00072 -0.00619 -0.00999 115 4PY -0.00081 0.00069 -0.00256 0.02438 -0.00344 116 4PZ -0.00008 0.00246 0.00079 -0.00577 0.00067 117 5PX 0.49378 0.06659 -0.03163 0.21741 0.68886 118 5PY 0.13840 -0.11339 0.08496 -0.80342 0.19455 119 5PZ 0.03205 -0.50222 -0.02993 0.21498 -0.03051 120 6PX 0.28542 0.04625 0.02103 0.05504 0.03391 121 6PY 0.07750 -0.05204 -0.09666 -0.22467 0.01464 122 6PZ 0.01977 -0.25415 0.01752 0.05358 -0.00897 123 7D 0 -0.06652 0.13988 -0.00500 0.13965 -0.01465 124 7D+1 0.10679 0.08347 0.00102 -0.03141 -0.00881 125 7D-1 0.01339 -0.03261 -0.00722 0.12387 -0.01628 126 7D+2 -0.01992 -0.04921 -0.00942 0.24700 -0.08727 127 7D-2 0.11911 0.00021 -0.00726 0.13358 0.17296 128 8D 0 0.14117 -0.30911 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0.01214 0.08492 0.16697 -0.05053 0.11570 149 7D-2 0.12216 -0.09382 -0.07215 0.13168 0.11414 150 8D 0 -0.14094 0.41725 0.17796 0.16027 -0.30850 151 8D+1 0.40172 0.22522 -0.40606 -0.02418 -0.12570 152 8D-1 -0.21156 -0.05525 0.08176 -0.08334 -0.18276 153 8D+2 -0.03020 -0.17238 -0.34236 0.14341 -0.27358 154 8D-2 -0.24929 0.18710 0.14441 -0.29827 -0.23751 155 8 Cu 1S 0.01886 -0.08813 0.03192 0.03642 0.00343 156 2S 0.01901 -0.09141 0.04377 0.07417 -0.00396 157 3S -0.62336 2.95769 -0.39354 -0.44050 -0.25082 158 4PX 0.00253 0.00411 -0.00284 0.00179 0.00557 159 4PY 0.00045 0.00251 0.00461 -0.01027 0.00070 160 4PZ -0.00619 0.02526 -0.01166 -0.00286 -0.00450 161 5PX 0.34002 -0.16713 -0.05785 0.15460 0.40582 162 5PY 0.03449 0.10664 0.23749 -0.36029 0.03587 163 5PZ 0.27003 -1.42988 -0.01750 0.47330 0.13754 164 6PX 0.25671 -0.31076 -0.03032 0.16955 0.12067 165 6PY -0.16224 0.79509 0.17816 -0.36743 0.01249 166 6PZ 0.25917 -1.23448 0.04650 0.63527 0.05338 167 7D 0 -0.02252 -0.03776 -0.00407 0.15494 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0.00152 0.04468 0.05960 -0.00145 188 3S -0.00033 -0.00465 -0.14509 -0.16725 0.00241 189 4PX 0.12280 0.01681 -0.00338 -0.00905 0.07426 190 4PY 0.02864 -0.01885 0.00205 0.04944 0.01838 191 4PZ 0.01059 -0.12606 -0.00210 -0.00532 -0.00122 192 5PX -0.23480 -0.03347 0.06483 0.03574 -0.19523 193 5PY -0.05996 0.03752 -0.24048 -0.17633 -0.04720 194 5PZ -0.01967 0.24333 0.05767 0.02670 0.00264 171 172 173 174 175 V V V V V EIGENVALUES -- 1.06625 1.08916 1.09009 1.12217 1.12337 1 1 Cu 1S -0.00188 0.00010 -0.00031 0.00158 -0.00081 2 2S -0.01114 0.00069 -0.00237 0.00614 -0.00264 3 3S -0.04726 0.02788 -0.07637 -0.04001 0.01821 4 4PX 0.00180 -0.00700 -0.00040 0.00077 0.00301 5 4PY -0.01168 -0.00165 0.00215 -0.00074 0.00138 6 4PZ -0.05215 0.00054 0.00797 -0.00229 0.00014 7 5PX -0.02299 0.62990 -0.02524 0.00149 -0.00918 8 5PY 0.13322 0.13046 -0.13386 0.04067 -0.02169 9 5PZ 0.84039 -0.05915 -0.66468 -0.02650 0.02400 10 6PX -0.02002 0.81087 -0.03247 0.13122 0.69640 11 6PY 0.01793 0.18347 -0.19247 -0.13685 0.19516 12 6PZ 0.10561 -0.07523 -0.81525 -0.75601 0.10416 13 7D 0 0.16269 0.02524 -0.03321 -0.17157 0.05566 14 7D+1 0.07611 -0.06453 -0.00932 -0.10023 -0.02161 15 7D-1 0.01503 -0.01982 -0.05849 0.20582 -0.02152 16 7D+2 -0.07733 -0.01935 0.04145 0.01049 0.10840 17 7D-2 -0.02384 0.01489 0.00451 -0.03894 -0.25706 18 8D 0 -0.31048 -0.04938 0.05556 0.40653 -0.13391 19 8D+1 -0.14333 0.12031 0.01443 0.23589 0.05974 20 8D-1 -0.04813 0.03899 0.11877 -0.47383 0.05071 21 8D+2 0.15333 0.03865 -0.07707 -0.02557 -0.25240 22 8D-2 0.04759 -0.03435 -0.00576 0.09090 0.60112 23 2 Cu 1S 0.01381 0.03835 0.02683 0.02341 0.01836 24 2S 0.02025 0.07519 0.05323 0.06129 0.05317 25 3S -0.43502 -0.92128 -0.56642 -0.80114 -0.69382 26 4PX 0.00763 -0.00424 -0.01098 -0.00635 -0.00941 27 4PY 0.00277 0.00322 -0.00245 0.01257 0.00983 28 4PZ 0.00874 0.01076 -0.00473 0.00566 -0.00058 29 5PX -0.07199 0.15472 0.27767 0.10399 0.12751 30 5PY -0.39702 -0.10499 0.04401 -0.31964 -0.27009 31 5PZ -0.02223 -0.26557 0.07450 -0.03149 0.05370 32 6PX 0.00520 -0.16052 0.01594 0.09321 -0.06607 33 6PY -0.00362 0.00412 0.07366 0.13273 0.04385 34 6PZ 0.07990 -0.02059 0.15914 0.07917 -0.15643 35 7D 0 0.11840 0.05691 -0.07497 -0.03885 -0.02988 36 7D+1 -0.00288 -0.08341 0.05074 0.00163 0.04152 37 7D-1 -0.04607 0.10588 -0.08728 0.12662 0.05806 38 7D+2 -0.17106 -0.02435 0.15768 -0.01484 0.02369 39 7D-2 -0.12233 -0.00253 -0.03581 -0.08538 -0.11548 40 8D 0 -0.24369 -0.12378 0.17064 0.08048 0.06030 41 8D+1 0.00990 0.18872 -0.11371 -0.01120 -0.10459 42 8D-1 0.10366 -0.23454 0.19923 -0.28095 -0.12092 43 8D+2 0.37430 0.06093 -0.35193 0.04099 -0.04996 44 8D-2 0.28434 0.00862 0.08241 0.17523 0.24476 45 3 Cu 1S 0.01576 0.04679 0.03178 0.00802 0.00637 46 2S -0.01922 0.05057 0.03822 -0.05398 -0.05626 47 3S -1.28378 -1.77265 -1.10493 -1.20548 -1.15102 48 4PX -0.01729 -0.00475 -0.00815 -0.02395 -0.00014 49 4PY -0.00342 -0.00737 -0.00807 -0.00268 0.01018 50 4PZ 0.00684 0.01398 0.00002 -0.01054 0.02175 51 5PX 0.72607 0.58575 0.17854 0.76822 0.81029 52 5PY -0.61565 0.01396 -0.05260 -0.42876 -0.38342 53 5PZ -0.69170 -0.26611 -0.36806 -0.44422 -0.32317 54 6PX 0.36620 0.44672 0.23245 0.15434 0.19739 55 6PY -0.32784 -0.23121 -0.17405 -0.15140 -0.06047 56 6PZ -0.25615 -0.19285 -0.18187 -0.17283 -0.04567 57 7D 0 0.07626 0.01327 -0.02339 -0.10730 -0.02057 58 7D+1 -0.04237 -0.20614 -0.01413 -0.19585 -0.13591 59 7D-1 -0.09514 0.06988 -0.15698 0.04518 -0.08244 60 7D+2 0.02160 -0.00377 0.17343 -0.02178 0.03920 61 7D-2 -0.05085 0.04266 -0.06924 -0.00998 -0.11394 62 8D 0 -0.21159 0.00415 0.01732 0.18934 0.07614 63 8D+1 0.12652 0.46147 0.04965 0.47659 0.31680 64 8D-1 0.19155 -0.15758 0.34092 -0.10134 0.19720 65 8D+2 -0.06121 -0.01124 -0.36979 0.04759 -0.12945 66 8D-2 0.10731 -0.09148 0.17688 0.01660 0.22460 67 4 Cu 1S 0.01089 -0.05064 0.02691 0.00162 -0.00849 68 2S -0.01127 -0.05412 0.03252 -0.01986 0.07883 69 3S -0.84398 1.90159 -0.95330 -0.38741 1.60523 70 4PX 0.01301 -0.01252 0.00992 0.01457 -0.01181 71 4PY 0.00217 0.00416 -0.00409 0.00017 -0.01256 72 4PZ -0.00163 -0.01005 -0.00361 -0.02507 -0.00992 73 5PX -0.32446 0.63078 -0.19489 -0.17556 0.88428 74 5PY -0.60991 0.27120 -0.11460 -0.24653 0.96845 75 5PZ -0.45579 0.12096 -0.29743 -0.15368 0.22391 76 6PX -0.15667 0.37800 -0.15510 -0.00601 0.20628 77 6PY -0.32293 0.44029 -0.20791 -0.03206 0.23708 78 6PZ -0.14175 0.08422 -0.10916 -0.10723 0.05497 79 7D 0 0.05892 0.08874 -0.02455 -0.10614 0.16978 80 7D+1 0.09553 -0.13224 0.01316 0.00381 -0.15974 81 7D-1 -0.08393 -0.13437 -0.19552 0.10179 0.01057 82 7D+2 -0.00454 -0.07166 0.08799 0.00926 0.00364 83 7D-2 0.04572 -0.03302 0.12385 -0.02670 -0.10924 84 8D 0 -0.15571 -0.22268 0.03128 0.19926 -0.39083 85 8D+1 -0.24556 0.28155 -0.06545 -0.06027 0.37266 86 8D-1 0.15657 0.29633 0.41977 -0.24898 -0.02148 87 8D+2 0.00510 0.16595 -0.17369 -0.00764 0.04525 88 8D-2 -0.11075 0.09038 -0.28431 0.06008 0.25377 89 5 Cu 1S -0.02469 0.00236 -0.04565 -0.02953 0.01021 90 2S -0.03226 0.00528 -0.08874 -0.08305 0.02632 91 3S 0.66426 -0.09598 1.09288 1.02456 -0.33222 92 4PX -0.00233 0.01162 0.00218 0.00271 -0.00865 93 4PY 0.00052 0.00293 0.00125 -0.01386 0.00197 94 4PZ -0.00090 -0.00293 0.01153 0.01299 -0.00271 95 5PX -0.08420 -0.24935 -0.06155 -0.07548 0.13422 96 5PY 0.55419 -0.06405 -0.01689 0.37093 -0.08019 97 5PZ -0.02510 0.06412 -0.34644 -0.17830 0.04579 98 6PX -0.00442 -0.18480 0.01673 -0.03695 -0.21314 99 6PY 0.04992 -0.03990 -0.02417 -0.15101 -0.01133 100 6PZ 0.06763 0.02341 0.13809 -0.01996 0.03677 101 7D 0 0.12018 0.05365 -0.07846 -0.03160 -0.00461 102 7D+1 0.02336 -0.18095 -0.02731 -0.02785 0.06173 103 7D-1 0.06939 -0.06166 0.00503 0.18839 -0.02627 104 7D+2 0.15488 -0.06685 -0.04221 -0.03808 0.05246 105 7D-2 0.09103 0.09756 -0.01269 -0.01123 -0.07528 106 8D 0 -0.25170 -0.11975 0.17458 0.05064 0.01666 107 8D+1 -0.04014 0.40738 0.06277 0.05172 -0.14011 108 8D-1 -0.17194 0.13777 -0.01427 -0.40361 0.05248 109 8D+2 -0.35450 0.15088 0.08593 0.08820 -0.12136 110 8D-2 -0.20957 -0.22020 0.02431 0.03140 0.17350 111 6 Cu 1S -0.00858 0.00036 -0.00147 0.00419 -0.00269 112 2S -0.01554 0.00061 -0.00258 0.00656 -0.00457 113 3S 0.15266 0.00115 0.00154 -0.03474 0.02056 114 4PX -0.00050 -0.00927 0.00067 0.00099 0.00583 115 4PY 0.00384 -0.00189 0.00178 -0.00146 0.00167 116 4PZ 0.00995 0.00097 0.00889 -0.00589 0.00063 117 5PX 0.02371 0.33237 -0.01420 0.09198 0.51792 118 5PY -0.20097 0.07413 -0.06334 -0.08353 0.13645 119 5PZ -0.69860 -0.02088 -0.28923 -0.52419 0.06790 120 6PX 0.00106 0.03866 0.00054 0.00179 -0.03890 121 6PY -0.02066 0.00955 -0.01016 0.01899 -0.01335 122 6PZ -0.03929 -0.00151 -0.03770 0.03892 0.00519 123 7D 0 0.09950 0.04956 -0.07438 0.11577 -0.05494 124 7D+1 0.05410 -0.18102 -0.00791 0.07059 0.07335 125 7D-1 -0.15950 -0.04583 -0.18614 -0.06281 0.01955 126 7D+2 0.03516 -0.08398 0.11462 -0.03839 -0.03070 127 7D-2 0.01332 0.10973 0.02800 0.01060 0.12247 128 8D 0 -0.24409 -0.10553 0.14863 -0.30280 0.13581 129 8D+1 -0.13259 0.39249 0.01004 -0.18377 -0.16115 130 8D-1 0.37936 0.10098 0.42337 0.20913 -0.05053 131 8D+2 -0.07768 0.19404 -0.25178 0.08466 0.10407 132 8D-2 -0.02950 -0.26434 -0.06107 -0.03834 -0.35136 133 7 Cu 1S 0.00972 -0.04200 0.02256 0.00621 -0.02839 134 2S 0.01489 -0.08323 0.04378 0.01763 -0.07755 135 3S -0.32805 0.98448 -0.44234 -0.22725 1.02232 136 4PX -0.00565 -0.00624 0.00855 -0.00069 -0.00491 137 4PY 0.00066 -0.00601 0.00039 0.00546 -0.01831 138 4PZ 0.01251 -0.00843 -0.00887 0.00421 0.00026 139 5PX 0.16931 0.18427 -0.21523 0.03297 -0.01766 140 5PY -0.23610 0.19003 -0.04330 -0.11574 0.43326 141 5PZ -0.13106 0.19872 0.17909 -0.03539 -0.05886 142 6PX 0.00168 -0.13442 -0.01124 -0.10423 0.06075 143 6PY 0.00379 -0.07478 0.06574 0.05173 -0.09360 144 6PZ 0.07453 0.04379 0.16607 0.17326 0.08111 145 7D 0 0.11918 -0.01433 -0.04640 -0.01766 0.01565 146 7D+1 0.15549 -0.04671 -0.07603 -0.01959 0.07091 147 7D-1 -0.00754 -0.12088 -0.15543 0.06384 -0.04002 148 7D+2 -0.15717 0.00866 0.07640 -0.03549 0.12209 149 7D-2 -0.02324 -0.03793 0.09325 0.01233 -0.12532 150 8D 0 -0.24875 0.02769 0.10764 0.03632 -0.02219 151 8D+1 -0.33779 0.10720 0.16965 0.04473 -0.16404 152 8D-1 0.02373 0.26902 0.35144 -0.14669 0.08256 153 8D+2 0.35055 -0.02450 -0.16796 0.07765 -0.26508 154 8D-2 0.04318 0.08101 -0.20986 -0.01969 0.25976 155 8 Cu 1S -0.02897 0.00225 -0.05432 -0.01173 0.00402 156 2S 0.02931 0.00016 -0.06147 0.07159 -0.01953 157 3S 2.14288 -0.11684 2.02716 1.65027 -0.48025 158 4PX 0.00370 0.00988 -0.00033 0.01182 0.02944 159 4PY 0.00733 0.00175 0.01400 -0.00019 0.00665 160 4PZ 0.02855 -0.00247 0.01095 0.01687 -0.00984 161 5PX -0.31167 0.23980 -0.06880 -0.24981 0.10827 162 5PY 0.48780 0.03473 -0.13143 0.35976 -0.09490 163 5PZ -1.71399 0.02808 -0.66798 -1.23054 0.35054 164 6PX -0.16803 0.08833 -0.11967 -0.02107 0.15455 165 6PY 0.31755 -0.00577 0.18140 0.08463 -0.02143 166 6PZ -0.76818 0.03104 -0.56751 -0.29003 0.08602 167 7D 0 -0.04943 0.05348 -0.17703 -0.19825 0.05178 168 7D+1 -0.00302 -0.14114 -0.04542 -0.07634 0.03864 169 7D-1 -0.07192 -0.05728 -0.07642 0.01923 0.02795 170 7D+2 0.06921 -0.10313 0.02943 0.15585 0.03742 171 7D-2 0.03639 0.16967 0.00699 0.02054 -0.17996 172 8D 0 0.16645 -0.10537 0.41144 0.48443 -0.11019 173 8D+1 0.00348 0.25902 0.10633 0.15394 -0.14872 174 8D-1 0.19176 0.11836 0.15627 -0.00955 -0.08322 175 8D+2 -0.12078 0.22795 -0.06897 -0.34373 -0.08888 176 8D-2 -0.06212 -0.39551 -0.02065 -0.04302 0.38450 177 9 C 1S -0.00014 0.00001 0.00001 0.00025 0.00003 178 2S 0.01237 0.00393 -0.01135 -0.02205 0.00727 179 3S -0.03248 -0.01319 0.03509 0.05842 -0.02384 180 4PX 0.00037 0.02446 0.00095 0.02048 0.11922 181 4PY 0.00527 0.00482 -0.00083 -0.02473 0.03196 182 4PZ 0.02552 0.00164 -0.02082 -0.12527 0.01529 183 5PX 0.01186 -0.23972 0.00485 -0.00907 0.00048 184 5PY -0.07918 -0.05716 0.06614 0.02034 -0.00781 185 5PZ -0.29702 0.02126 0.24568 0.02275 -0.00774 186 10 O 1S -0.00022 0.00003 0.00006 0.00003 -0.00002 187 2S 0.00367 0.00023 -0.00211 -0.00137 0.00065 188 3S -0.00416 -0.00038 0.00220 -0.00127 0.00037 189 4PX 0.00206 -0.03967 0.00020 0.00096 0.01628 190 4PY -0.01795 -0.00999 0.01268 0.00008 0.00321 191 4PZ -0.07331 0.00339 0.04156 -0.01167 0.00028 192 5PX -0.00558 0.12360 -0.00314 -0.00766 -0.07372 193 5PY 0.04547 0.02867 -0.03419 0.00676 -0.01722 194 5PZ 0.19464 -0.01144 -0.13045 0.06091 -0.00369 176 177 178 179 180 V V V V V EIGENVALUES -- 1.13675 1.15275 1.25134 1.25441 1.29930 1 1 Cu 1S -0.00501 -0.13367 -0.00143 0.00124 0.00304 2 2S -0.01425 -0.32160 -0.00515 0.00412 0.00905 3 3S 0.04509 2.80701 0.00396 0.01407 0.05174 4 4PX -0.00121 -0.01571 -0.00109 0.00671 0.00147 5 4PY 0.00239 0.06677 -0.00038 0.00082 -0.00093 6 4PZ -0.00029 -0.01371 -0.00417 -0.00067 -0.00158 7 5PX 0.00930 0.69073 0.03059 1.01327 -0.03588 8 5PY -0.09284 -2.84814 -0.27763 0.24760 -0.00391 9 5PZ 0.02413 0.63751 -1.08910 -0.04311 0.06017 10 6PX -0.09154 -0.17916 -0.02386 0.20809 0.03282 11 6PY 0.00218 0.48376 -0.04452 0.04175 -0.00007 12 6PZ 0.02148 -0.25824 -0.18764 -0.02607 -0.03681 13 7D 0 0.00335 0.05492 0.19452 -0.05629 0.00048 14 7D+1 0.00596 -0.01333 0.09185 0.15074 -0.00756 15 7D-1 -0.00675 0.05274 -0.03849 0.01187 -0.00925 16 7D+2 -0.01018 0.11441 -0.06953 -0.03246 0.00406 17 7D-2 0.03192 0.05839 -0.02926 0.15411 0.00489 18 8D 0 -0.01030 -0.21169 -0.56536 0.17215 -0.00109 19 8D+1 -0.01367 0.04812 -0.26274 -0.46493 0.02147 20 8D-1 0.01421 -0.19205 0.07103 -0.04219 0.02618 21 8D+2 0.02017 -0.41119 0.21772 0.07455 -0.01200 22 8D-2 -0.07791 -0.21101 0.08753 -0.41703 -0.01423 23 2 Cu 1S -0.00723 -0.10362 0.05766 0.08504 -0.00306 24 2S -0.01316 -0.13034 0.07990 0.11891 -0.00355 25 3S 0.21421 0.28240 -1.51928 -2.16163 -0.02040 26 4PX 0.00987 0.00604 -0.00594 -0.02145 -0.00002 27 4PY 0.00227 -0.01099 -0.00089 -0.00924 -0.00038 28 4PZ 0.00981 -0.00152 0.01874 0.00992 0.00054 29 5PX -0.17287 -0.20134 0.44215 0.63338 0.06162 30 5PY 0.01010 0.65505 0.01485 -0.01940 0.01291 31 5PZ -0.16655 -0.09253 -0.35378 -0.45852 0.09597 32 6PX 0.06613 0.08728 0.04604 -0.12644 -0.10257 33 6PY 0.03052 0.03261 -0.19731 -0.36936 -0.04135 34 6PZ 0.09330 -0.05490 0.26644 0.08651 -0.16488 35 7D 0 0.04294 0.06878 0.05485 -0.00481 -0.02258 36 7D+1 -0.07621 0.10542 -0.14673 -0.13793 0.00910 37 7D-1 0.11735 -0.04782 0.04557 -0.02411 0.00072 38 7D+2 -0.12180 -0.01962 0.03957 0.15491 0.00909 39 7D-2 0.07725 0.14776 0.01980 0.00929 0.00552 40 8D 0 -0.09790 -0.18632 -0.12168 0.00536 0.05377 41 8D+1 0.17687 -0.25313 0.38271 0.37973 -0.02723 42 8D-1 -0.27286 0.13742 -0.10557 0.05568 0.00260 43 8D+2 0.28000 0.04647 -0.12297 -0.39455 -0.02333 44 8D-2 -0.17957 -0.39908 -0.05154 -0.01408 -0.00720 45 3 Cu 1S 0.00369 0.07089 0.00441 0.00229 -0.00046 46 2S 0.01973 0.09831 -0.04517 -0.07190 0.00208 47 3S 0.14546 -1.87927 -0.66047 -0.90187 0.03104 48 4PX -0.00858 -0.01282 -0.00309 -0.00554 0.01683 49 4PY -0.00655 -0.01223 0.00417 0.00804 0.01078 50 4PZ -0.01512 0.01453 -0.00006 0.00086 0.02247 51 5PX 0.03783 -0.07497 0.25147 0.64057 -0.51609 52 5PY 0.16731 -0.35033 -0.11123 -0.09295 -0.33615 53 5PZ 0.34640 0.18223 -0.37133 -0.25701 -0.71212 54 6PX -0.17629 -0.06746 0.69056 0.98012 0.45670 55 6PY 0.01435 0.09908 -0.90531 -1.21070 0.28939 56 6PZ -0.13548 0.02607 -0.20672 -0.23332 0.66810 57 7D 0 -0.03647 -0.02066 0.06991 -0.02234 0.27212 58 7D+1 -0.05540 -0.01940 -0.12039 -0.09177 -0.07350 59 7D-1 0.18413 0.05431 0.11378 0.07023 0.03390 60 7D+2 -0.12674 0.04179 0.05732 0.21856 -0.12114 61 7D-2 0.11936 -0.07481 -0.03632 -0.04408 -0.10356 62 8D 0 0.08100 0.11738 -0.20641 0.05986 -0.76736 63 8D+1 0.12419 0.04824 0.33709 0.25339 0.21140 64 8D-1 -0.42382 -0.17673 -0.29616 -0.16167 -0.10219 65 8D+2 0.29757 -0.07120 -0.14207 -0.59357 0.34738 66 8D-2 -0.26157 0.31132 0.08132 0.08754 0.28651 67 4 Cu 1S 0.00385 0.07151 0.00421 -0.00370 -0.00424 68 2S -0.00452 0.09975 -0.03077 0.07823 -0.00853 69 3S -0.22691 -1.90024 -0.51117 1.01443 0.00595 70 4PX -0.00553 0.02065 0.00105 -0.00222 0.01220 71 4PY 0.00279 -0.00536 0.00440 -0.01024 -0.00316 72 4PZ 0.01864 0.00860 -0.00032 0.00049 -0.02745 73 5PX 0.04000 0.24127 -0.18084 0.64059 -0.37837 74 5PY -0.15395 -0.27279 -0.19183 0.39462 0.09221 75 5PZ -0.32855 0.15745 -0.27440 0.12063 0.85212 76 6PX -0.11262 0.04734 -0.20972 0.50303 0.34055 77 6PY -0.06116 0.15737 -0.74764 1.71739 -0.09678 78 6PZ 0.17973 -0.00614 -0.04893 0.02619 -0.77508 79 7D 0 0.04769 -0.02564 0.02852 0.03986 -0.18998 80 7D+1 0.02874 -0.01361 0.07429 -0.00560 -0.21786 81 7D-1 -0.22814 0.04207 0.12493 -0.07004 -0.07400 82 7D+2 0.01421 -0.03231 0.00483 -0.12005 0.12415 83 7D-2 0.12131 0.08674 0.07721 -0.23175 -0.00795 84 8D 0 -0.10052 0.12239 -0.08519 -0.10971 0.53340 85 8D+1 -0.06001 0.05178 -0.22032 0.02773 0.61479 86 8D-1 0.52211 -0.10869 -0.34263 0.17439 0.21894 87 8D+2 -0.03819 0.20151 -0.01692 0.35539 -0.35107 88 8D-2 -0.28070 -0.28268 -0.19366 0.59933 0.01787 89 5 Cu 1S 0.00036 -0.10360 -0.10536 0.01022 -0.00620 90 2S 0.00352 -0.13186 -0.14571 0.01325 -0.01550 91 3S -0.02252 0.29500 2.63597 -0.28324 -0.04362 92 4PX -0.01219 0.00339 0.00007 -0.01255 -0.00040 93 4PY -0.00268 -0.00975 0.01238 -0.00361 0.00026 94 4PZ 0.00197 0.00770 0.02655 -0.00084 -0.00024 95 5PX 0.20176 -0.16876 -0.10120 0.02881 -0.10508 96 5PY 0.05128 0.64126 -0.17918 0.01274 -0.01287 97 5PZ -0.03468 -0.20393 -0.95568 0.09722 0.04502 98 6PX -0.07353 0.02662 -0.09099 -0.19299 0.18786 99 6PY -0.01576 -0.01112 0.45974 -0.09111 0.02570 100 6PZ 0.01020 0.07922 0.13219 0.02017 -0.02906 101 7D 0 -0.03591 -0.12518 -0.23557 0.00091 0.00895 102 7D+1 0.11853 -0.06972 -0.02939 0.08589 -0.02318 103 7D-1 0.04518 0.12126 -0.09037 0.03065 -0.00179 104 7D+2 0.07341 0.04865 -0.01330 0.02958 -0.00122 105 7D-2 -0.11962 0.04748 -0.02290 -0.03348 -0.00929 106 8D 0 0.08351 0.31114 0.62988 -0.01243 -0.02397 107 8D+1 -0.27225 0.18125 0.08571 -0.19250 0.05685 108 8D-1 -0.10618 -0.34050 0.23563 -0.07168 0.00528 109 8D+2 -0.17010 -0.11961 0.02726 -0.06898 0.00761 110 8D-2 0.27759 -0.12259 0.05589 0.08408 0.01578 111 6 Cu 1S -0.01144 -0.29903 -0.00301 0.00070 -0.00353 112 2S -0.01799 -0.45826 -0.00375 0.00039 -0.00783 113 3S 0.12297 3.25641 0.03631 -0.01611 0.02011 114 4PX -0.00104 -0.00893 -0.00042 0.02361 0.00037 115 4PY 0.00085 0.03657 -0.00463 0.00530 0.00041 116 4PZ 0.00002 -0.00825 -0.02318 -0.00141 -0.00049 117 5PX -0.06189 0.24053 -0.00168 0.01763 0.00162 118 5PY -0.04424 -0.98997 -0.01487 0.00898 -0.00686 119 5PZ 0.02947 0.21132 0.00584 -0.00332 -0.00963 120 6PX -0.01032 0.20571 0.00756 0.56111 -0.00141 121 6PY -0.02909 -0.79990 -0.13384 0.13550 0.00392 122 6PZ 0.01234 0.20786 -0.55285 -0.02576 0.01223 123 7D 0 0.00324 0.09001 -0.04705 0.00503 0.00074 124 7D+1 -0.01076 -0.01598 -0.02612 -0.00575 0.00024 125 7D-1 0.00488 0.06873 0.06724 0.00460 -0.00095 126 7D+2 0.01073 0.14737 -0.00467 0.03271 0.00032 127 7D-2 -0.01304 0.07636 0.00008 -0.07611 -0.00154 128 8D 0 -0.00733 -0.22664 0.08680 -0.00786 -0.00274 129 8D+1 0.02554 0.04003 0.04907 0.00772 -0.00167 130 8D-1 -0.01477 -0.17218 -0.13031 -0.00869 0.00401 131 8D+2 -0.03002 -0.37121 0.00899 -0.06127 0.00011 132 8D-2 0.03890 -0.19224 0.00059 0.14219 0.00353 133 7 Cu 1S 0.00442 -0.10356 0.04066 -0.09638 -0.00689 134 2S 0.01264 -0.12964 0.05794 -0.13598 -0.01544 135 3S -0.15287 0.27774 -1.05783 2.41428 -0.01913 136 4PX 0.00620 -0.00175 0.00607 -0.02665 0.00023 137 4PY -0.00014 -0.01256 0.00180 -0.00104 0.00019 138 4PZ -0.01269 0.00059 0.01562 -0.00582 -0.00015 139 5PX -0.09608 -0.10145 -0.33898 0.75352 0.03663 140 5PY -0.01177 0.67725 -0.12651 0.32265 -0.02175 141 5PZ 0.20517 -0.12312 -0.14990 0.29634 -0.11640 142 6PX 0.04798 -0.11681 0.04575 -0.30602 -0.08167 143 6PY -0.00920 0.00720 -0.11362 0.31810 0.01729 144 6PZ -0.11644 -0.02716 0.23483 -0.07030 0.18498 145 7D 0 -0.00113 0.11062 0.00032 0.06211 0.01522 146 7D+1 -0.05176 -0.04678 0.08970 -0.09303 0.01947 147 7D-1 -0.17848 -0.02511 0.09302 -0.02169 0.00667 148 7D+2 0.02930 0.07785 0.03883 -0.15133 -0.01085 149 7D-2 0.08325 -0.14104 0.02645 -0.12727 -0.00074 150 8D 0 -0.00004 -0.28303 0.01754 -0.16879 -0.03397 151 8D+1 0.11801 0.10256 -0.21987 0.26069 -0.04751 152 8D-1 0.41432 0.06894 -0.22313 0.06698 -0.02327 153 8D+2 -0.06862 -0.22351 -0.11437 0.38825 0.02757 154 8D-2 -0.18970 0.37143 -0.07836 0.33866 0.00483 155 8 Cu 1S 0.00374 0.07010 -0.00787 -0.00173 -0.00585 156 2S 0.00415 0.09989 0.07593 -0.01254 -0.01267 157 3S -0.09576 -1.79978 1.08991 -0.07622 0.00648 158 4PX 0.01278 0.00053 0.00277 0.00066 -0.02874 159 4PY 0.00200 -0.01610 -0.00773 0.00083 -0.00723 160 4PZ -0.00272 -0.01533 0.00537 -0.00070 0.00473 161 5PX -0.33767 0.07308 -0.09595 0.23059 0.90609 162 5PY -0.09271 -0.37087 -0.03041 0.04958 0.21790 163 5PZ 0.07823 -0.14367 -0.75428 0.04480 -0.14349 164 6PX 0.18290 -0.00471 -0.46532 0.09645 -0.82533 165 6PY 0.02263 -0.01446 1.30286 -0.14101 -0.21411 166 6PZ -0.00573 0.01701 -1.37247 0.13616 0.15166 167 7D 0 -0.01421 0.05900 -0.25126 -0.00796 -0.08339 168 7D+1 0.07685 0.02562 -0.04595 0.11831 0.29240 169 7D-1 0.04581 -0.07725 0.03056 0.02853 0.05322 170 7D+2 0.09708 0.02388 -0.10861 0.03909 -0.00160 171 7D-2 -0.19829 0.00664 -0.04655 -0.02136 0.10567 172 8D 0 0.02935 -0.16181 0.67191 0.02818 0.23669 173 8D+1 -0.17232 -0.10356 0.11205 -0.33953 -0.82980 174 8D-1 -0.09978 0.32588 -0.03548 -0.08659 -0.15213 175 8D+2 -0.22056 -0.02239 0.27993 -0.10813 -0.00042 176 8D-2 0.45464 0.02316 0.12761 0.05637 -0.29015 177 9 C 1S 0.00053 0.01908 0.00007 0.00001 0.00005 178 2S 0.02389 0.85926 0.01372 -0.00122 0.00645 179 3S -0.08390 -3.00321 -0.04010 0.00135 -0.02602 180 4PX -0.01145 0.08613 0.00094 -0.05562 0.00104 181 4PY -0.01129 -0.35303 0.01207 -0.01413 -0.00185 182 4PZ 0.00612 0.07769 0.05541 0.00425 0.00062 183 5PX 0.00202 0.17417 0.00444 -0.02935 -0.00138 184 5PY -0.02024 -0.70081 -0.00256 -0.00696 -0.00742 185 5PZ 0.00602 0.17625 0.03586 0.00271 0.00357 186 10 O 1S -0.00013 -0.00434 -0.00002 0.00013 0.00018 187 2S 0.00508 0.18919 0.00130 -0.00149 -0.00188 188 3S -0.00556 -0.23124 -0.00015 0.00086 0.00250 189 4PX -0.00181 0.03742 0.00093 -0.01128 -0.00058 190 4PY -0.00412 -0.15534 0.00191 -0.00338 -0.00195 191 4PZ 0.00181 0.03661 0.01280 0.00085 0.00140 192 5PX 0.01050 -0.01647 -0.00274 0.04825 0.00214 193 5PY 0.00302 0.06797 -0.01056 0.01205 0.00409 194 5PZ -0.00396 -0.01978 -0.05106 -0.00360 -0.00403 181 182 183 184 185 V V V V V EIGENVALUES -- 1.30397 1.30564 1.33886 1.33925 1.34902 1 1 Cu 1S 0.01186 0.00263 0.00963 0.00149 0.14669 2 2S 0.03837 0.00901 0.03049 0.00464 0.48496 3 3S 0.20514 0.05853 0.17034 0.03225 2.79553 4 4PX -0.00326 -0.05828 -0.01048 0.03015 0.01911 5 4PY -0.01980 -0.01380 -0.00003 0.00909 -0.06942 6 4PZ -0.05810 0.00836 0.03176 0.01033 0.01830 7 5PX 0.16128 2.20475 0.17307 -0.44436 -0.18547 8 5PY 0.55908 0.48602 -0.04022 -0.14534 0.44740 9 5PZ 2.16499 -0.28911 -0.42929 -0.15732 -0.24427 10 6PX -0.07603 -0.95931 -0.10628 0.31169 0.08057 11 6PY -0.26459 -0.21435 0.01862 0.09575 -0.40970 12 6PZ -0.94219 0.12320 0.31263 0.09583 0.02985 13 7D 0 -0.10529 -0.08429 0.10960 0.08896 0.15624 14 7D+1 -0.00356 0.29565 0.09379 -0.09662 -0.03982 15 7D-1 -0.29554 0.09081 0.00795 -0.01316 0.14273 16 7D+2 0.20568 0.12863 -0.03907 -0.00952 0.25159 17 7D-2 0.04544 -0.15902 0.01845 -0.08239 0.13502 18 8D 0 0.32468 0.24910 -0.31686 -0.25093 -0.47236 19 8D+1 0.01837 -0.87364 -0.26414 0.25853 0.11889 20 8D-1 0.84725 -0.26385 0.00855 0.04396 -0.43077 21 8D+2 -0.60064 -0.36855 0.10169 0.00772 -0.75510 22 8D-2 -0.13534 0.44362 -0.06643 0.25748 -0.40479 23 2 Cu 1S -0.01672 -0.00713 -0.06515 0.03021 -0.25386 24 2S 0.01579 -0.10169 -0.11916 0.05532 -0.49295 25 3S 0.53537 -1.08628 0.18004 -0.12794 -0.53526 26 4PX 0.00238 -0.00538 -0.01140 0.00919 0.00117 27 4PY -0.00665 0.01074 0.01352 -0.00837 0.00038 28 4PZ 0.00074 -0.00074 0.00427 -0.00148 -0.00131 29 5PX -0.39181 0.46520 0.15167 -0.11273 0.27316 30 5PY -0.30372 0.28715 0.33014 -0.23802 -0.30527 31 5PZ 0.14352 -0.62541 -0.26412 0.15652 -0.05497 32 6PX 0.12755 -0.10542 -0.08294 0.10774 0.26208 33 6PY 0.30718 -0.44767 -0.23139 0.19773 0.31685 34 6PZ -0.14265 0.29308 0.19257 -0.09743 -0.30408 35 7D 0 0.00970 0.02761 0.03836 -0.00710 -0.02944 36 7D+1 0.06368 -0.13142 -0.06563 0.04241 0.05081 37 7D-1 0.03500 -0.02617 -0.00738 0.01066 0.01980 38 7D+2 -0.05848 0.05688 0.05522 -0.05173 -0.03857 39 7D-2 -0.03044 0.03472 0.04017 -0.03438 -0.04681 40 8D 0 -0.03528 -0.08906 -0.15491 0.06729 0.11138 41 8D+1 -0.19711 0.40407 0.18167 -0.12118 -0.15073 42 8D-1 -0.10196 0.08440 0.02989 -0.03589 -0.05605 43 8D+2 0.18056 -0.17266 -0.20107 0.17240 0.13970 44 8D-2 0.10211 -0.10160 -0.19928 0.15040 0.17158 45 3 Cu 1S 0.02517 -0.07313 0.13075 -0.09750 -0.17932 46 2S 0.08341 -0.20430 0.30229 -0.22282 -0.37479 47 3S 0.22782 -0.32298 0.38732 -0.25172 0.19392 48 4PX -0.01124 0.01260 0.01211 -0.01091 -0.01191 49 4PY 0.02478 -0.04368 0.02517 -0.01819 0.00140 50 4PZ -0.00678 0.00639 -0.02118 0.01180 0.00823 51 5PX 0.23100 -0.31679 -0.62011 0.79522 0.27656 52 5PY -0.70752 1.17131 -0.23515 0.37656 0.21212 53 5PZ 0.10572 -0.26843 0.95818 -0.14840 -0.30916 54 6PX -0.54780 0.97340 0.07830 -0.33417 -0.57783 55 6PY 0.81785 -1.40073 0.40571 -0.39408 -0.14193 56 6PZ 0.16095 -0.08018 -0.47709 0.03033 0.48699 57 7D 0 0.02636 0.01116 -0.17924 -0.01520 0.04842 58 7D+1 0.00273 -0.04005 0.10253 -0.02595 -0.00574 59 7D-1 0.11191 -0.15880 0.04120 -0.05609 -0.11752 60 7D+2 0.05203 -0.13510 -0.08859 0.12731 -0.04165 61 7D-2 -0.04664 0.10734 -0.17863 0.17566 0.15095 62 8D 0 -0.07788 -0.03361 0.54684 0.04421 -0.14823 63 8D+1 -0.00820 0.10528 -0.29994 0.07321 0.00254 64 8D-1 -0.29932 0.43864 -0.11030 0.15410 0.34623 65 8D+2 -0.14658 0.37017 0.28035 -0.38987 0.12845 66 8D-2 0.12871 -0.29217 0.53240 -0.52779 -0.45231 67 4 Cu 1S 0.02663 0.06784 0.00100 0.16861 -0.17710 68 2S 0.08519 0.19632 0.00581 0.38565 -0.37180 69 3S 0.21262 0.36127 0.05298 0.43924 0.17736 70 4PX -0.00284 -0.00797 -0.00047 -0.03350 0.01116 71 4PY 0.02614 0.04543 0.00168 0.02015 0.00593 72 4PZ -0.00677 -0.00721 -0.00392 -0.01643 0.00526 73 5PX 0.13310 0.25800 -0.14179 1.26600 -0.37675 74 5PY -0.70707 -1.19792 0.05971 0.05885 0.09509 75 5PZ 0.07322 0.28055 0.53111 0.50746 -0.23494 76 6PX 0.16640 0.35585 0.14428 -0.59281 0.66171 77 6PY 0.92738 1.73032 0.03505 0.35674 0.08230 78 6PZ 0.08990 -0.10255 -0.31969 -0.27688 0.31439 79 7D 0 0.04624 0.03299 -0.08341 -0.08172 0.03166 80 7D+1 -0.01986 -0.10661 -0.09882 -0.08599 0.06017 81 7D-1 0.08184 0.07280 -0.04526 -0.02194 -0.05594 82 7D+2 -0.02623 -0.02126 0.03648 -0.31598 0.09308 83 7D-2 0.09120 0.19166 -0.00295 0.05782 -0.15273 84 8D 0 -0.13199 -0.08686 0.25421 0.25918 -0.10388 85 8D+1 0.04914 0.29215 0.29849 0.24413 -0.16864 86 8D-1 -0.21755 -0.20338 0.13216 0.07639 0.16630 87 8D+2 0.06978 0.05554 -0.10930 0.95235 -0.27204 88 8D-2 -0.25093 -0.52416 0.01190 -0.15664 0.46120 89 5 Cu 1S -0.02404 -0.00460 0.03785 0.02174 -0.26137 90 2S -0.14642 -0.01270 0.06470 0.03900 -0.49703 91 3S -1.20729 -0.07395 -0.30852 -0.09562 -0.35085 92 4PX -0.00337 -0.00052 0.00378 0.00406 -0.00017 93 4PY 0.01247 -0.00013 -0.01219 -0.00566 0.00096 94 4PZ -0.00599 -0.00076 0.01452 0.00709 0.00087 95 5PX 0.00755 -0.23024 0.07387 0.00793 0.09963 96 5PY 0.54000 -0.04866 -0.44869 -0.22244 -0.26869 97 5PZ 0.77828 0.07264 -0.18335 -0.10692 0.24073 98 6PX 0.08333 0.06338 -0.06743 0.02568 -0.02353 99 6PY -0.55966 0.00122 0.33333 0.17410 0.37319 100 6PZ -0.18961 -0.00790 0.19444 0.08135 0.32951 101 7D 0 0.13257 0.01445 -0.08101 -0.03569 -0.05010 102 7D+1 0.01600 -0.03244 0.00922 -0.01910 0.00460 103 7D-1 0.10077 -0.00602 -0.08096 -0.04343 -0.07110 104 7D+2 -0.02297 -0.00683 -0.02096 -0.01228 -0.00258 105 7D-2 0.00525 0.00221 -0.01902 -0.01351 -0.01227 106 8D 0 -0.40671 -0.04476 0.23130 0.10573 0.15814 107 8D+1 -0.04985 0.10614 -0.04947 0.02810 -0.02005 108 8D-1 -0.30979 0.01925 0.32604 0.16793 0.23567 109 8D+2 0.07335 0.01791 0.11652 0.06251 0.02922 110 8D-2 -0.01461 0.00443 0.09680 0.05218 0.04939 111 6 Cu 1S -0.01070 -0.00239 -0.01080 -0.00190 -0.16953 112 2S -0.02677 -0.00631 -0.02483 -0.00388 -0.40272 113 3S -0.02981 -0.00640 -0.01893 0.00043 -0.51437 114 4PX -0.00082 -0.00713 -0.00859 0.02277 -0.00214 115 4PY -0.00116 -0.00129 0.00408 0.00747 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1.09615 0.02656 0.21564 -0.61365 136 4PX 0.00123 -0.00013 -0.00046 0.00784 -0.00083 137 4PY -0.00629 -0.01207 0.00141 0.02045 0.00090 138 4PZ 0.00100 0.00126 0.00152 0.00102 -0.00090 139 5PX 0.46744 0.71084 -0.01683 -0.41956 -0.17957 140 5PY -0.11367 -0.06132 0.00229 0.29370 -0.38475 141 5PZ -0.00480 0.45373 -0.03297 -0.21071 -0.01535 142 6PX -0.25420 -0.38021 -0.03000 0.31105 -0.41874 143 6PY 0.21052 0.36881 0.00446 -0.22366 0.15550 144 6PZ -0.08388 -0.23466 0.04660 0.16048 -0.19652 145 7D 0 0.03438 0.03490 0.01199 -0.00127 -0.00578 146 7D+1 -0.03464 -0.10815 0.01312 0.05568 -0.03812 147 7D-1 0.01185 -0.02779 0.00767 0.01946 -0.00808 148 7D+2 -0.07261 -0.10239 -0.00586 0.11235 -0.06621 149 7D-2 -0.02127 -0.03374 -0.00100 0.03120 0.00213 150 8D 0 -0.11226 -0.10442 -0.02833 -0.06052 0.03879 151 8D+1 0.10117 0.33580 -0.02754 -0.16257 0.11168 152 8D-1 -0.02958 0.08084 -0.02013 -0.06598 0.03117 153 8D+2 0.22892 0.31241 0.00674 -0.42932 0.23456 154 8D-2 0.06257 0.10527 0.00556 -0.05952 -0.00677 155 8 Cu 1S -0.09121 -0.00379 -0.16512 -0.07689 -0.15665 156 2S -0.24635 -0.00919 -0.37643 -0.17549 -0.31764 157 3S -0.31698 0.00009 -0.39020 -0.19341 0.34296 158 4PX 0.01333 -0.00408 0.00480 -0.00082 -0.00294 159 4PY -0.04902 -0.00104 -0.03226 -0.01611 0.00730 160 4PZ 0.01529 0.00060 -0.02084 -0.00966 -0.01340 161 5PX -0.36209 -0.00193 -0.18465 0.49216 0.00784 162 5PY 1.36691 0.01316 0.54721 0.37419 0.09451 163 5PZ -0.36666 0.01532 1.15464 0.46824 0.25385 164 6PX 0.48794 0.09201 0.22714 -0.26627 -0.08428 165 6PY -1.44496 -0.03096 -0.60853 -0.33835 -0.10826 166 6PZ 1.12356 0.01857 -0.37610 -0.13562 -0.75026 167 7D 0 -0.11418 0.00919 0.09161 0.00816 -0.06746 168 7D+1 -0.04838 -0.03268 -0.10926 0.08679 -0.04073 169 7D-1 0.18145 -0.00463 0.27441 0.15315 0.13140 170 7D+2 -0.17846 -0.01173 0.07388 0.04297 -0.03734 171 7D-2 -0.04934 0.01369 0.06393 0.07278 0.00308 172 8D 0 0.31834 -0.02448 -0.27883 -0.02639 0.21655 173 8D+1 0.13466 0.08924 0.32918 -0.26167 0.12552 174 8D-1 -0.49538 0.00956 -0.81530 -0.45499 -0.39057 175 8D+2 0.48809 0.02805 -0.24554 -0.13758 0.10988 176 8D-2 0.13475 -0.02843 -0.19723 -0.22783 -0.01094 177 9 C 1S 0.00034 0.00010 0.00070 0.00017 0.01343 178 2S 0.01688 0.00419 0.01846 0.00394 0.20759 179 3S -0.07218 -0.01414 -0.07894 -0.01659 -0.99073 180 4PX 0.00560 0.01260 -0.00838 0.03589 0.08393 181 4PY -0.01158 -0.00142 -0.01352 0.00742 -0.34337 182 4PZ 0.01474 -0.00223 0.03967 0.01176 0.07475 183 5PX 0.00763 0.01022 0.00120 0.01495 0.10661 184 5PY -0.02291 -0.00331 -0.02789 -0.00096 -0.42126 185 5PZ 0.02315 0.00047 0.02065 0.00725 0.10521 186 10 O 1S 0.00091 0.00014 0.00084 0.00012 0.01236 187 2S -0.00743 -0.00060 -0.00552 -0.00049 -0.05869 188 3S 0.00259 -0.00097 -0.00093 -0.00071 -0.09890 189 4PX 0.00395 0.02211 -0.00123 0.01016 0.03838 190 4PY -0.00373 0.00249 -0.00834 0.00141 -0.15869 191 4PZ 0.02495 -0.00279 0.01222 0.00376 0.03534 192 5PX -0.00949 -0.07245 0.00866 -0.03168 -0.03859 193 5PY -0.00474 -0.01264 0.00780 -0.00813 0.15888 194 5PZ -0.07934 0.01034 -0.03472 -0.01107 -0.03340 186 187 188 189 190 V V V V V EIGENVALUES -- 1.50905 1.66033 2.03182 2.21981 2.22373 1 1 Cu 1S 0.14530 -0.29519 -0.35919 -0.00464 0.00138 2 2S 0.44219 -0.63003 -0.69759 -0.00986 0.00266 3 3S 5.54382 3.68901 -0.20636 -0.01020 -0.00446 4 4PX 0.00204 0.01026 -0.01120 0.00034 0.00215 5 4PY -0.00377 -0.04199 0.04442 0.00125 0.00030 6 4PZ 0.00313 0.00937 -0.01063 0.00203 -0.00052 7 5PX 0.42639 -0.31756 -0.22673 -0.12383 -0.74037 8 5PY -1.92259 1.30546 0.98656 -0.20898 -0.14760 9 5PZ 0.35458 -0.29264 -0.19468 -0.72899 0.16171 10 6PX -0.26495 -0.40827 0.07954 -0.30486 -1.65808 11 6PY 0.79633 1.69146 -0.26705 -0.41685 -0.31853 12 6PZ -0.33724 -0.37404 0.11265 -1.63105 0.38142 13 7D 0 -0.09824 -0.02351 0.02382 0.02391 0.00305 14 7D+1 0.01785 0.00479 -0.00416 0.00704 -0.02032 15 7D-1 -0.07590 -0.02029 0.01778 -0.00718 -0.00001 16 7D+2 -0.16519 -0.04058 0.03849 -0.00647 0.00596 17 7D-2 -0.08405 -0.02089 0.01953 -0.00652 -0.01939 18 8D 0 0.27515 0.09030 -0.06839 -0.11596 -0.01466 19 8D+1 -0.04917 -0.01854 0.01146 -0.03532 0.09606 20 8D-1 0.21108 0.07765 -0.04989 0.03807 -0.00051 21 8D+2 0.46489 0.15569 -0.11040 0.02981 -0.03001 22 8D-2 0.23596 0.08025 -0.05556 0.03079 0.09556 23 2 Cu 1S -0.41178 0.00201 0.34878 -0.10272 0.22779 24 2S -0.87557 -0.02595 0.63655 -0.25361 0.55670 25 3S -2.11725 -0.44860 0.82049 -1.17098 2.38083 26 4PX -0.02230 -0.00110 0.00913 -0.01087 0.02928 27 4PY -0.00759 -0.00778 -0.00069 0.01098 -0.01925 28 4PZ 0.01949 0.00417 -0.00659 0.00913 -0.01132 29 5PX 1.01387 0.11556 -0.47200 0.56035 -1.15666 30 5PY -0.00070 -0.05855 0.36631 -0.46424 1.00278 31 5PZ -0.74643 -0.06452 0.20389 -0.20750 0.47789 32 6PX 0.17490 0.05828 -0.21035 0.11569 0.48078 33 6PY -0.13513 -0.35990 0.05923 0.27775 -0.21681 34 6PZ -0.03630 0.10330 0.11345 0.46416 0.05595 35 7D 0 0.01163 -0.02249 -0.01051 -0.03531 0.07548 36 7D+1 -0.09238 0.01159 0.02281 -0.02703 0.04904 37 7D-1 0.01653 0.00463 -0.00696 0.01774 -0.02208 38 7D+2 0.08447 -0.02556 -0.03113 -0.01590 0.01911 39 7D-2 0.00398 -0.03522 -0.00997 -0.05872 0.13031 40 8D 0 -0.00830 0.07653 0.04075 0.13950 -0.27710 41 8D+1 0.29400 -0.02815 -0.07726 0.09485 -0.17914 42 8D-1 -0.02982 -0.03255 0.01704 -0.06257 0.08268 43 8D+2 -0.22266 0.06667 0.10514 0.05519 -0.07827 44 8D-2 0.01465 0.13179 0.04573 0.21568 -0.48565 45 3 Cu 1S -0.07254 0.16871 0.50015 0.56075 -1.16332 46 2S -0.04105 0.35201 0.97704 1.12219 -2.32426 47 3S 0.06340 -0.82912 -1.09821 -1.12339 2.36936 48 4PX 0.02098 0.00192 0.01796 0.00155 -0.01342 49 4PY -0.00299 0.00166 -0.02502 -0.00357 0.00042 50 4PZ -0.01448 -0.00207 -0.00346 -0.01013 0.00491 51 5PX 0.02038 -0.07225 -0.79374 0.26198 -0.27531 52 5PY -0.54184 0.51066 1.31489 -0.39916 1.02508 53 5PZ 0.20981 -0.15127 0.05781 0.25604 -0.06499 54 6PX 0.21968 0.35212 0.33081 0.31062 -0.95757 55 6PY -0.48374 0.11860 0.21214 -0.37774 0.43870 56 6PZ 0.03090 -0.31196 -0.32675 -0.44826 0.37778 57 7D 0 0.05771 0.02196 0.02969 -0.03744 -0.06873 58 7D+1 0.03848 0.00880 -0.00272 0.02828 -0.03436 59 7D-1 0.03476 -0.01738 -0.02317 0.00276 0.01287 60 7D+2 0.06091 0.00157 0.00931 0.01983 -0.00203 61 7D-2 0.06422 0.04463 0.05859 0.06151 -0.05534 62 8D 0 -0.17771 -0.08836 -0.11933 0.10222 0.28386 63 8D+1 -0.10765 -0.02916 0.00261 -0.10199 0.13756 64 8D-1 -0.11597 0.07550 0.09025 -0.00707 -0.06561 65 8D+2 -0.20187 -0.00643 -0.03562 -0.07240 0.03273 66 8D-2 -0.19141 -0.18328 -0.23423 -0.25371 0.27451 67 4 Cu 1S -0.07187 0.17027 0.50667 0.72891 1.06410 68 2S -0.04070 0.35520 0.99045 1.45687 2.12551 69 3S 0.03037 -0.83406 -1.10425 -1.50134 -2.17211 70 4PX -0.02151 -0.00288 -0.00671 -0.00439 -0.01227 71 4PY -0.01241 0.00055 -0.02993 -0.00465 -0.00497 72 4PZ -0.00751 -0.00139 -0.00014 -0.00908 0.00073 73 5PX 0.25925 -0.17979 0.18882 0.01678 0.18006 74 5PY -0.47517 0.48825 1.50483 -0.62195 -0.97869 75 5PZ 0.15065 -0.13474 -0.07589 0.29680 0.02733 76 6PX 0.01085 -0.44185 -0.46831 -0.35817 -0.73239 77 6PY -0.54806 -0.04956 0.06093 -0.50698 -0.77486 78 6PZ 0.06179 -0.19462 -0.21082 -0.37169 -0.05071 79 7D 0 0.08018 0.02302 0.02403 -0.00390 0.07815 80 7D+1 -0.03487 0.00220 0.01156 -0.05330 0.00995 81 7D-1 0.02657 -0.00629 -0.00320 -0.00083 -0.00486 82 7D+2 0.07164 0.03506 0.05437 0.05290 0.03160 83 7D-2 0.00442 -0.03324 -0.03617 -0.03571 -0.03531 84 8D 0 -0.24326 -0.08926 -0.10126 -0.02048 -0.31664 85 8D+1 0.10453 -0.01492 -0.04027 0.18209 -0.02955 86 8D-1 -0.09003 0.02697 0.01423 -0.00392 0.02382 87 8D+2 -0.22609 -0.14599 -0.21430 -0.22720 -0.18077 88 8D-2 -0.03135 0.13579 0.14603 0.15324 0.15978 89 5 Cu 1S -0.41905 -0.00037 0.36215 0.24645 -0.02829 90 2S -0.88765 -0.03166 0.66045 0.60451 -0.06293 91 3S -2.00270 -0.43364 0.72072 2.63799 -0.14364 92 4PX -0.00138 0.00161 0.00131 0.00900 0.00385 93 4PY -0.01311 -0.00879 0.00190 -0.01654 0.00208 94 4PZ -0.02719 -0.00207 0.01057 0.03612 -0.00294 95 5PX 0.13815 0.02677 -0.14007 -0.39213 0.05233 96 5PY 0.20259 -0.03379 0.28526 0.86926 -0.06066 97 5PZ 1.20381 0.13772 -0.53645 -1.48265 0.10264 98 6PX 0.07130 0.08226 -0.04471 0.16171 0.54037 99 6PY -0.15176 -0.36262 0.02019 -0.24396 0.14426 100 6PZ 0.17844 0.04437 -0.25324 0.43088 -0.11644 101 7D 0 0.11530 -0.01497 -0.03235 -0.06461 0.00587 102 7D+1 0.02063 0.00812 -0.00295 -0.05622 -0.00101 103 7D-1 0.03078 -0.04052 -0.01731 0.12928 -0.01207 104 7D+2 0.02211 -0.02088 -0.01672 0.07017 -0.00924 105 7D-2 0.01389 -0.01530 -0.00928 0.05207 0.00296 106 8D 0 -0.34453 0.02595 0.10598 0.23319 -0.01839 107 8D+1 -0.07238 -0.03458 0.00598 0.20656 -0.00783 108 8D-1 -0.07536 0.14965 0.07146 -0.48177 0.04262 109 8D+2 -0.02035 0.05751 0.05682 -0.26161 0.03299 110 8D-2 -0.01875 0.04818 0.03370 -0.19412 -0.01212 111 6 Cu 1S -0.68489 -0.20645 -0.98275 -0.00160 0.00470 112 2S -1.36985 -0.50833 -2.06487 -0.00278 0.00968 113 3S 3.00195 -0.12979 -0.20616 0.02293 0.00704 114 4PX -0.00525 0.00600 0.01117 -0.00114 -0.00641 115 4PY 0.02158 -0.02467 -0.04590 -0.00159 -0.00106 116 4PZ -0.00490 0.00554 0.01036 -0.00613 0.00136 117 5PX 0.01859 -0.18981 -0.53453 -0.02096 -0.09645 118 5PY -0.05515 0.78094 2.17472 -0.02643 -0.03010 119 5PZ 0.02461 -0.17454 -0.49622 -0.08326 0.02602 120 6PX 0.09993 0.04861 0.14897 0.00377 -0.09404 121 6PY -0.42509 -0.19962 -0.58301 -0.02641 -0.02188 122 6PZ 0.09448 0.04448 0.14950 -0.09604 0.00490 123 7D 0 -0.01367 -0.03664 -0.06474 -0.06704 0.00170 124 7D+1 0.00185 0.00724 0.01338 -0.03310 0.01904 125 7D-1 -0.00855 -0.02985 -0.05422 0.07953 -0.01881 126 7D+2 -0.02129 -0.06218 -0.11114 -0.01146 -0.04032 127 7D-2 -0.01039 -0.03203 -0.05773 0.01759 0.09920 128 8D 0 0.05676 0.11657 0.22948 0.23198 -0.00598 129 8D+1 -0.00842 -0.02311 -0.04747 0.11451 -0.06599 130 8D-1 0.03769 0.09504 0.19239 -0.27537 0.06488 131 8D+2 0.08991 0.19798 0.39408 0.03940 0.13909 132 8D-2 0.04452 0.10198 0.20495 -0.06050 -0.34268 133 7 Cu 1S -0.40711 0.00101 0.34375 -0.14840 -0.20794 134 2S -0.86744 -0.02822 0.62689 -0.35794 -0.50902 135 3S -2.19705 -0.44123 0.84131 -1.44036 -2.22342 136 4PX 0.02819 0.00521 -0.00961 0.01060 0.01984 137 4PY 0.00346 -0.00646 -0.00458 0.01894 0.02767 138 4PZ 0.01189 0.00324 -0.00364 0.00699 0.00294 139 5PX -1.11529 -0.09598 0.32843 -0.47059 -0.68932 140 5PY -0.44508 -0.10302 0.52542 -0.86388 -1.29737 141 5PZ -0.44098 -0.03231 0.08646 -0.09985 -0.18411 142 6PX -0.10818 0.12099 0.19192 -0.04243 0.33313 143 6PY -0.18860 -0.34601 0.14653 0.30586 0.33742 144 6PZ -0.00086 0.09368 0.05290 0.45301 -0.24226 145 7D 0 -0.02532 -0.01682 -0.00220 -0.05779 -0.08435 146 7D+1 0.05181 -0.00946 -0.01135 0.01381 0.01793 147 7D-1 0.03593 -0.00630 -0.01179 0.01172 0.00162 148 7D+2 0.07743 -0.04665 -0.03315 -0.06607 -0.09356 149 7D-2 0.07736 0.00288 -0.02137 0.04581 0.07528 150 8D 0 0.11163 0.05978 0.01173 0.21898 0.30863 151 8D+1 -0.17471 0.03230 0.04149 -0.04334 -0.06868 152 8D-1 -0.09316 0.00857 0.03771 -0.03774 -0.00739 153 8D+2 -0.19975 0.15407 0.12213 0.24345 0.35390 154 8D-2 -0.22441 -0.03783 0.06294 -0.16886 -0.27520 155 8 Cu 1S -0.07341 0.16896 0.51073 -1.28340 0.09670 156 2S -0.04001 0.35156 0.99627 -2.56691 0.19343 157 3S 0.16203 -0.84264 -1.18658 2.58663 -0.20978 158 4PX 0.00349 -0.00015 0.00757 -0.00306 -0.00876 159 4PY 0.00334 0.00199 -0.02357 -0.00100 -0.00154 160 4PZ 0.02512 0.00217 0.02051 -0.01570 0.00221 161 5PX 0.11520 -0.11693 -0.38004 -0.24953 0.25504 162 5PY -0.61847 0.52444 1.23461 1.06727 -0.03948 163 5PZ -0.01908 -0.04228 -0.87178 -0.34371 -0.00587 164 6PX 0.13269 0.01584 0.01854 -0.27723 -0.30063 165 6PY -0.46936 0.21346 0.24095 0.36027 -0.04966 166 6PZ 0.26798 0.43090 0.46382 -1.16719 0.10402 167 7D 0 -0.00301 -0.01812 -0.01022 0.04538 -0.01899 168 7D+1 -0.02737 -0.01637 -0.01859 0.03718 0.05600 169 7D-1 0.04028 0.04643 0.06553 -0.06279 0.01050 170 7D+2 0.09704 0.00923 0.00957 -0.04425 -0.00490 171 7D-2 0.04793 0.01190 0.01677 -0.02580 0.04342 172 8D 0 -0.00906 0.06942 0.04707 -0.18140 0.06467 173 8D+1 0.07970 0.06560 0.07599 -0.16001 -0.18126 174 8D-1 -0.12053 -0.19291 -0.25829 0.30760 -0.03980 175 8D+2 -0.30523 -0.03295 -0.04325 0.19537 0.01776 176 8D-2 -0.15016 -0.04685 -0.06748 0.12181 -0.15753 177 9 C 1S -0.00754 0.02185 -0.00750 0.00005 0.00003 178 2S 0.87609 0.10723 -0.32767 0.00055 0.00152 179 3S -2.86989 2.62800 0.13470 -0.00713 -0.00480 180 4PX -0.06427 0.06697 -0.00693 -0.00489 -0.02779 181 4PY 0.26201 -0.27536 0.02959 -0.00740 -0.00526 182 4PZ -0.06223 0.06337 -0.00569 -0.02862 0.00638 183 5PX 0.14219 0.18220 -0.28135 0.04158 0.23076 184 5PY -0.56350 -0.75386 1.14487 0.06432 0.04212 185 5PZ 0.14447 0.17357 -0.26868 0.23110 -0.05341 186 10 O 1S 0.00415 -0.07946 0.02256 0.00008 0.00001 187 2S -0.12015 1.86991 -0.72699 -0.00261 -0.00021 188 3S 0.46038 -3.56070 1.55016 0.00577 0.00059 189 4PX 0.00245 -0.01612 -0.00794 0.00297 0.01726 190 4PY -0.01132 0.06533 0.03214 0.00518 0.00325 191 4PZ 0.00234 -0.01452 -0.00739 0.01724 -0.00389 192 5PX -0.07397 0.28011 -0.05155 -0.01583 -0.08748 193 5PY 0.30449 -1.14747 0.21445 -0.02383 -0.01631 194 5PZ -0.07131 0.26243 -0.04864 -0.08778 0.02001 191 192 193 194 V V V V EIGENVALUES -- 2.75159 2.76346 3.56793 10.43626 1 1 Cu 1S 0.00499 -0.01110 -0.72105 -3.43477 2 2S 0.01102 -0.02254 -1.26157 -5.54030 3 3S 0.07830 -0.10049 3.81107 13.85637 4 4PX 0.06259 0.00809 -0.00973 0.01066 5 4PY 0.01617 -0.01173 0.04150 -0.04075 6 4PZ 0.00522 -0.06566 -0.00850 0.01045 7 5PX -1.01015 -0.14343 0.21143 -1.56883 8 5PY -0.28879 0.23980 -0.90291 6.34112 9 5PZ -0.08318 1.09734 0.18356 -1.48507 10 6PX -0.80981 -0.08918 0.05247 0.46975 11 6PY -0.17628 0.09299 -0.09431 -2.29448 12 6PZ -0.05185 0.76196 0.08591 0.35865 13 7D 0 0.02604 -0.05606 -0.00764 -0.02648 14 7D+1 -0.04576 -0.03323 0.00148 0.00548 15 7D-1 -0.00657 0.00977 -0.00624 -0.02221 16 7D+2 0.00502 0.02455 -0.01350 -0.04561 17 7D-2 -0.04543 0.00310 -0.00677 -0.02366 18 8D 0 -0.10013 0.22089 0.03153 0.21719 19 8D+1 0.17215 0.13013 -0.00613 -0.04463 20 8D-1 0.02480 -0.04824 0.02581 0.18160 21 8D+2 -0.02568 -0.09175 0.05574 0.37365 22 8D-2 0.18440 -0.00988 0.02783 0.19400 23 2 Cu 1S 1.12464 1.05274 -0.69383 -0.00821 24 2S 2.05990 1.92981 -1.30976 -0.03946 25 3S -3.62209 -3.18570 -0.14311 -3.14945 26 4PX -0.02913 -0.01568 0.00171 -0.02365 27 4PY 0.00633 0.01118 -0.00090 -0.01618 28 4PZ 0.00719 0.02005 -0.00071 0.02421 29 5PX -0.29755 -0.54119 0.67891 0.56769 30 5PY 0.56628 0.41471 -0.70844 0.23918 31 5PZ 0.24347 -0.02687 -0.23014 -0.50925 32 6PX -0.30508 0.06539 -0.05164 0.65494 33 6PY -0.95020 -0.63451 0.26836 0.59365 34 6PZ 0.19869 0.61430 -0.08260 -0.70343 35 7D 0 -0.00676 0.03026 -0.03975 0.00721 36 7D+1 0.02492 0.01444 0.00431 0.01152 37 7D-1 -0.01076 -0.00396 -0.00335 0.00871 38 7D+2 0.00306 -0.01853 -0.04365 0.00795 39 7D-2 0.03008 0.01397 -0.05413 0.00622 40 8D 0 0.00354 -0.12896 0.17478 -0.02854 41 8D+1 -0.10828 -0.07037 -0.00539 -0.05152 42 8D-1 0.04024 0.01561 0.01419 -0.05432 43 8D+2 -0.01807 0.06016 0.18309 -0.04450 44 8D-2 -0.14119 -0.08019 0.23966 -0.01223 45 3 Cu 1S 0.24194 0.24194 0.78922 -1.05898 46 2S 0.44213 0.44399 1.41953 -1.73288 47 3S -0.20990 -0.18887 -1.64555 0.28070 48 4PX 0.02162 0.03077 -0.05595 0.02691 49 4PY -0.04828 -0.03875 0.03694 0.02844 50 4PZ -0.00913 0.00570 0.02692 -0.03160 51 5PX -1.17726 -1.02296 1.03886 0.10727 52 5PY 1.05394 1.04316 -1.51723 1.15889 53 5PZ 0.34166 0.47571 -0.16042 -0.54149 54 6PX 2.60603 2.34170 -0.07854 -0.36722 55 6PY -4.07737 -3.62562 0.42040 -0.00649 56 6PZ -0.36983 -0.26024 -0.12388 0.27028 57 7D 0 -0.01833 -0.03052 0.02072 0.00249 58 7D+1 0.01061 0.02592 -0.00272 0.01075 59 7D-1 0.00693 -0.01655 0.01206 -0.00311 60 7D+2 -0.05158 -0.02378 0.03168 -0.00661 61 7D-2 -0.02802 -0.03315 0.02131 0.00725 62 8D 0 0.06059 0.13522 -0.10405 -0.00798 63 8D+1 -0.04461 -0.11460 -0.00869 -0.02837 64 8D-1 -0.03397 0.06640 -0.04216 0.06329 65 8D+2 0.21382 0.08830 -0.13047 0.05879 66 8D-2 0.11781 0.12936 -0.12148 -0.06173 67 4 Cu 1S -0.32932 0.09857 0.78282 -1.05796 68 2S -0.60307 0.17862 1.40759 -1.73204 69 3S 0.26899 -0.13843 -1.63490 0.25921 70 4PX 0.00665 -0.00728 0.04190 -0.04370 71 4PY 0.06850 -0.01979 0.05715 0.01370 72 4PZ 0.00017 0.01344 0.01215 -0.02042 73 5PX -0.90548 0.21734 -0.34586 -0.70934 74 5PY -1.90410 0.63291 -1.78946 0.98357 75 5PZ -0.15892 0.16551 0.03755 -0.42907 76 6PX 1.00453 -0.30332 -0.14897 0.41046 77 6PY 6.20722 -1.76963 0.38949 0.21046 78 6PZ -0.22181 0.12456 -0.08487 0.19118 79 7D 0 0.02198 -0.01048 0.02091 0.00703 80 7D+1 0.01043 -0.01361 -0.00288 -0.00499 81 7D-1 0.01017 -0.02879 0.01254 -0.00377 82 7D+2 0.07128 -0.01409 0.03525 -0.00084 83 7D-2 0.01967 0.00351 0.01267 -0.01187 84 8D 0 -0.07911 0.05276 -0.11191 -0.01338 85 8D+1 -0.04426 0.07137 0.02084 -0.01066 86 8D-1 -0.03782 0.12269 -0.04768 0.04169 87 8D+2 -0.29191 0.04952 -0.16632 -0.01059 88 8D-2 -0.07890 -0.01515 -0.02613 0.10142 89 5 Cu 1S 0.33843 -1.49923 -0.68149 -0.00054 90 2S 0.61885 -2.74798 -1.28726 -0.02668 91 3S -1.14734 4.64489 -0.15398 -3.08883 92 4PX -0.01414 0.00353 0.00039 0.00018 93 4PY -0.00131 -0.00553 -0.00045 -0.02244 94 4PZ -0.00736 0.03753 0.00162 -0.03025 95 5PX 0.21203 0.27845 0.23063 0.02794 96 5PY 0.18185 -0.58810 -0.58610 0.37337 97 5PZ -0.15907 0.65379 0.77055 0.67908 98 6PX -0.37337 -0.28901 -0.07379 -0.02940 99 6PY -0.37093 1.15716 0.29533 0.70686 100 6PZ 0.00046 0.27215 -0.02719 0.81433 101 7D 0 -0.01436 0.03335 -0.01624 -0.00544 102 7D+1 0.02601 0.02266 0.01515 -0.00347 103 7D-1 0.01012 -0.02294 -0.05631 0.00005 104 7D+2 0.00339 -0.01031 -0.04459 0.01638 105 7D-2 0.00975 -0.00673 -0.02810 0.00708 106 8D 0 0.05703 -0.14441 0.05600 0.01477 107 8D+1 -0.08942 -0.10039 -0.06976 0.01015 108 8D-1 -0.04428 0.11802 0.24357 0.01873 109 8D+2 -0.01865 0.06764 0.19691 -0.08189 110 8D-2 -0.03985 0.04315 0.12355 -0.03238 111 6 Cu 1S -0.00046 0.00057 1.00076 -0.14969 112 2S -0.00018 -0.00072 1.73842 -0.23773 113 3S 0.02464 -0.04327 1.29778 -0.99105 114 4PX 0.00005 0.00017 0.00656 -0.00098 115 4PY 0.00025 -0.00056 -0.02679 0.00365 116 4PZ 0.00002 0.00000 0.00602 -0.00095 117 5PX -0.70979 -0.09197 0.28208 -0.04412 118 5PY -0.19096 0.15639 -1.14211 0.18210 119 5PZ -0.04902 0.72282 0.25538 -0.03795 120 6PX 2.19468 0.27494 0.12767 -0.05595 121 6PY 0.57152 -0.41805 -0.56066 0.25644 122 6PZ 0.15358 -2.12882 0.10937 -0.05142 123 7D 0 0.01298 -0.04294 -0.00489 0.00831 124 7D+1 -0.00775 -0.02461 0.00118 -0.00167 125 7D-1 -0.00365 0.05050 -0.00449 0.00669 126 7D+2 0.02679 0.00144 -0.00886 0.01425 127 7D-2 -0.06414 -0.00805 -0.00460 0.00737 128 8D 0 -0.04992 0.16756 0.00992 -0.04096 129 8D+1 0.02835 0.09609 -0.00276 0.00822 130 8D-1 0.01389 -0.20003 0.00990 -0.03307 131 8D+2 -0.10579 -0.00455 0.01914 -0.07033 132 8D-2 0.25210 0.03175 0.00973 -0.03637 133 7 Cu 1S -1.47344 0.45919 -0.69168 -0.01254 134 2S -2.69961 0.84343 -1.30540 -0.04760 135 3S 4.65825 -1.28433 -0.12669 -3.17887 136 4PX -0.02882 0.00233 -0.00155 0.03391 137 4PY -0.02376 0.00785 -0.00150 -0.00406 138 4PZ -0.00602 0.01435 -0.00036 0.01553 139 5PX -0.22870 0.22522 -0.37472 -0.74397 140 5PY -0.83589 0.26307 -0.91882 -0.03960 141 5PZ -0.10400 -0.22156 -0.07552 -0.31539 142 6PX -0.79894 0.03508 -0.07514 -1.01272 143 6PY 0.91122 -0.20321 0.25287 0.26630 144 6PZ -0.28778 0.49297 -0.07727 -0.48342 145 7D 0 -0.01877 0.02724 -0.03713 0.01318 146 7D+1 0.01864 0.01662 -0.00192 -0.01113 147 7D-1 0.01128 0.00592 -0.01337 0.00396 148 7D+2 -0.01539 -0.00974 -0.06891 0.00615 149 7D-2 0.03193 -0.01237 0.00095 0.00229 150 8D 0 0.10463 -0.11036 0.16894 -0.05716 151 8D+1 -0.08176 -0.05534 -0.00012 0.05637 152 8D-1 -0.04039 -0.02095 0.05537 -0.02573 153 8D+2 0.08796 0.02536 0.29537 -0.01952 154 8D-2 -0.13914 0.05201 -0.01373 -0.03029 155 8 Cu 1S 0.08029 -0.31893 0.79629 -1.04847 156 2S 0.14877 -0.58377 1.43165 -1.71526 157 3S -0.02777 0.26102 -1.68306 0.27859 158 4PX -0.00877 -0.02013 -0.01502 -0.00204 159 4PY -0.01489 0.05477 0.02560 0.03596 160 4PZ 0.01114 -0.03911 -0.06557 0.03460 161 5PX -0.24834 0.46689 0.44558 -0.23281 162 5PY 0.21495 -1.18287 -1.35430 1.23012 163 5PZ -0.37721 1.76586 1.14378 0.20835 164 6PX 0.35037 -1.53735 -0.09374 -0.00330 165 6PY -1.12308 4.70731 0.47520 -0.11881 166 6PZ 0.88936 -3.71140 -0.09629 -0.35870 167 7D 0 -0.00262 0.04080 0.01661 -0.01353 168 7D+1 -0.02092 -0.01238 -0.00497 -0.00482 169 7D-1 -0.01885 0.05031 0.02017 0.00362 170 7D+2 -0.01801 0.03720 0.03198 0.00112 171 7D-2 0.00721 0.02710 0.01636 0.00094 172 8D 0 0.00630 -0.17024 -0.04489 0.07476 173 8D+1 0.10477 0.05347 0.03531 0.02804 174 8D-1 0.08025 -0.20726 -0.11118 -0.06211 175 8D+2 0.07217 -0.14357 -0.14720 0.03958 176 8D-2 -0.02463 -0.10645 -0.07885 0.00769 177 9 C 1S 0.00019 -0.00014 0.00777 -0.04090 178 2S 0.00785 -0.00905 0.27994 -0.84920 179 3S -0.02539 0.01774 -1.76741 3.13160 180 4PX -0.02856 -0.00371 -0.01869 -0.02720 181 4PY -0.00683 0.00424 0.07717 0.11070 182 4PZ -0.00243 0.02881 -0.01858 -0.02622 183 5PX 0.64247 0.07822 -0.18666 -1.06991 184 5PY 0.15308 -0.09842 0.77358 4.39605 185 5PZ 0.05547 -0.66432 -0.16661 -0.99519 186 10 O 1S -0.00004 0.00020 0.00490 -0.01218 187 2S 0.00318 -0.01154 -0.50169 -0.60865 188 3S -0.00696 0.02833 1.44557 2.18906 189 4PX 0.06655 0.00877 -0.01286 -0.03687 190 4PY 0.01707 -0.01233 0.05333 0.15016 191 4PZ 0.00532 -0.06785 -0.01037 -0.03445 192 5PX -0.29879 -0.04031 -0.04568 0.06105 193 5PY -0.07737 0.06073 0.18502 -0.24630 194 5PZ -0.02396 0.30528 -0.04978 0.05406 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 1.99541 2 2S -0.00036 0.25534 3 3S 0.04491 -0.15626 0.68149 4 4PX 0.00045 0.00065 -0.00396 2.00067 5 4PY -0.00173 -0.00231 0.01424 -0.00229 2.00947 6 4PZ 0.00043 0.00064 -0.00386 0.00053 -0.00215 7 5PX -0.00524 -0.01326 -0.04887 0.01554 0.00274 8 5PY 0.02127 0.05381 0.19428 0.00283 0.00488 9 5PZ -0.00493 -0.01240 -0.04723 -0.00069 0.00266 10 6PX 0.00061 0.02199 -0.00765 -0.01813 -0.00158 11 6PY -0.00321 -0.08344 0.02904 -0.00154 -0.01311 12 6PZ 0.00048 0.02217 -0.00664 0.00051 -0.00166 13 7D 0 -0.00043 0.02388 -0.06643 -0.00148 0.01312 14 7D+1 0.00009 -0.00491 0.01187 -0.00499 -0.00393 15 7D-1 -0.00037 0.02018 -0.04959 -0.00392 0.01193 16 7D+2 -0.00082 0.04142 -0.10096 -0.00907 0.01964 17 7D-2 -0.00042 0.02157 -0.05214 0.00290 0.01219 18 8D 0 0.00072 0.00743 -0.01894 -0.00071 0.00372 19 8D+1 -0.00015 -0.00152 0.00324 -0.00063 -0.00099 20 8D-1 0.00061 0.00626 -0.01369 -0.00099 0.00342 21 8D+2 0.00122 0.01281 -0.02802 -0.00236 0.00598 22 8D-2 0.00063 0.00669 -0.01443 0.00060 0.00357 23 2 Cu 1S -0.00086 -0.00230 -0.00667 -0.00365 -0.00065 24 2S -0.00294 0.12155 -0.10826 -0.03774 -0.02004 25 3S -0.01082 0.10070 -0.15231 -0.02784 -0.01373 26 4PX -0.00076 0.01189 0.08411 0.00134 -0.00065 27 4PY -0.00192 -0.00752 0.01645 0.00197 0.00234 28 4PZ 0.00138 -0.00589 -0.07187 -0.00058 0.00020 29 5PX 0.00314 -0.03075 0.04661 -0.00029 0.00120 30 5PY 0.00070 -0.00128 0.01334 -0.00149 -0.00722 31 5PZ -0.00263 0.02359 -0.04019 -0.00602 -0.00165 32 6PX 0.00110 -0.00365 0.02654 -0.00222 0.00030 33 6PY 0.00080 0.02606 0.00467 -0.00877 0.00391 34 6PZ -0.00109 -0.00849 -0.02220 0.00576 -0.00147 35 7D 0 0.00088 0.01388 0.03325 -0.01255 -0.00331 36 7D+1 -0.00074 -0.05359 -0.24861 0.02375 0.00721 37 7D-1 0.00004 -0.00418 -0.08193 0.00312 -0.00348 38 7D+2 0.00135 0.04288 0.11429 -0.01291 -0.00416 39 7D-2 0.00119 0.01902 0.08732 -0.00481 0.00570 40 8D 0 0.00043 0.00410 0.01233 -0.00492 -0.00144 41 8D+1 -0.00077 -0.01967 -0.08205 0.00485 0.00237 42 8D-1 -0.00009 -0.00171 -0.02774 0.00088 -0.00267 43 8D+2 0.00081 0.01463 0.03831 -0.00140 -0.00187 44 8D-2 0.00061 0.00565 0.03118 -0.00085 0.00350 45 3 Cu 1S -0.00360 -0.00646 -0.00149 -0.00107 -0.00200 46 2S -0.00419 0.07697 -0.09127 -0.02038 -0.02940 47 3S -0.00356 -0.02477 -0.11362 -0.00513 0.00189 48 4PX 0.00019 -0.00224 0.01974 0.00340 0.00043 49 4PY 0.00205 0.02617 0.01972 -0.00017 -0.00283 50 4PZ -0.00096 -0.00883 -0.02320 -0.00043 0.00193 51 5PX 0.00128 0.01164 -0.00390 -0.00862 -0.00034 52 5PY 0.00445 -0.04825 0.07749 0.00167 0.01204 53 5PZ -0.00272 0.01069 -0.02852 -0.00068 -0.00812 54 6PX 0.00150 -0.01781 0.00763 0.01609 -0.00146 55 6PY -0.00025 0.01210 0.02351 -0.01883 -0.00503 56 6PZ -0.00107 0.00799 -0.01571 -0.00236 0.00439 57 7D 0 -0.00041 -0.00704 -0.05249 0.00003 -0.00029 58 7D+1 0.00140 -0.00638 -0.08073 -0.00334 0.00395 59 7D-1 0.00069 -0.04063 -0.17631 0.00850 0.01862 60 7D+2 -0.00072 -0.03426 -0.13558 0.00508 0.00975 61 7D-2 -0.00103 0.01754 0.03731 0.00147 -0.00906 62 8D 0 -0.00026 -0.00261 -0.01722 -0.00029 -0.00080 63 8D+1 0.00048 -0.00258 -0.02604 -0.00179 0.00126 64 8D-1 0.00046 -0.01313 -0.05850 0.00247 0.00508 65 8D+2 -0.00019 -0.01107 -0.04513 0.00175 0.00184 66 8D-2 -0.00070 0.00512 0.01257 0.00190 -0.00236 67 4 Cu 1S -0.00359 -0.00646 -0.00140 0.00221 -0.00132 68 2S -0.00420 0.07677 -0.09013 0.03708 -0.01730 69 3S -0.00360 -0.02491 -0.11352 0.00472 0.00394 70 4PX -0.00125 -0.01088 -0.03127 0.00220 0.00239 71 4PY 0.00174 0.02434 0.00903 0.00311 -0.00167 72 4PZ -0.00074 -0.00747 -0.01492 -0.00057 0.00156 73 5PX -0.00364 0.01181 -0.03550 -0.00246 -0.00868 74 5PY 0.00344 -0.04809 0.07075 -0.01106 0.00733 75 5PZ -0.00200 0.01052 -0.02357 0.00398 -0.00571 76 6PX -0.00151 0.01208 -0.02035 0.00526 0.00723 77 6PY -0.00076 0.01753 0.01841 0.02771 0.00717 78 6PZ -0.00045 0.00423 -0.01084 -0.00191 0.00279 79 7D 0 0.00030 -0.01511 -0.10928 -0.00296 0.00333 80 7D+1 -0.00117 0.02077 0.12422 0.00674 -0.00864 81 7D-1 -0.00007 -0.02440 -0.09979 -0.01185 0.00696 82 7D+2 -0.00165 -0.00202 -0.01811 -0.00180 -0.00524 83 7D-2 0.00009 -0.04412 -0.15027 -0.01532 0.01215 84 8D 0 0.00001 -0.00544 -0.03578 -0.00028 0.00055 85 8D+1 -0.00050 0.00702 0.04075 0.00152 -0.00277 86 8D-1 0.00008 -0.00784 -0.03326 -0.00360 0.00171 87 8D+2 -0.00082 -0.00095 -0.00612 -0.00164 -0.00251 88 8D-2 0.00034 -0.01384 -0.05019 -0.00350 0.00288 89 5 Cu 1S -0.00084 -0.00229 -0.00687 -0.00032 -0.00153 90 2S -0.00292 0.12126 -0.11331 -0.00063 -0.02990 91 3S -0.01056 0.10030 -0.15373 -0.00049 -0.02112 92 4PX 0.00031 0.00309 0.00697 0.00162 -0.00035 93 4PY -0.00219 -0.00520 0.03784 0.00013 0.00275 94 4PZ -0.00109 0.01396 0.10590 0.00013 -0.00083 95 5PX 0.00026 -0.00369 0.00329 -0.00886 0.00009 96 5PY 0.00145 -0.00825 0.02457 -0.00044 -0.00661 97 5PZ 0.00381 -0.03764 0.05764 0.00097 0.00414 98 6PX -0.00004 -0.00651 0.00224 0.00103 -0.00027 99 6PY 0.00098 0.02828 0.01061 -0.00188 0.00183 100 6PZ 0.00136 -0.00169 0.03235 -0.00063 -0.00045 101 7D 0 0.00106 0.05928 0.21659 -0.00439 -0.01588 102 7D+1 -0.00018 0.00534 0.02115 0.01342 -0.00051 103 7D-1 0.00147 0.03977 0.19105 -0.00073 -0.00119 104 7D+2 0.00090 0.00736 -0.05359 -0.00048 -0.00184 105 7D-2 0.00060 0.00906 0.00739 0.00585 0.00043 106 8D 0 0.00089 0.02142 0.07117 -0.00132 -0.00537 107 8D+1 -0.00002 0.00234 0.00617 0.00668 -0.00007 108 8D-1 0.00092 0.01328 0.06558 -0.00007 0.00187 109 8D+2 0.00031 0.00147 -0.01681 0.00004 -0.00156 110 8D-2 0.00027 0.00259 0.00323 0.00277 0.00023 111 6 Cu 1S 0.00055 -0.00184 0.00284 -0.00048 0.00198 112 2S 0.00048 -0.07487 0.03363 -0.00314 0.01284 113 3S 0.00282 -0.02624 0.04470 -0.00163 0.00626 114 4PX 0.00047 0.00027 0.00348 0.00165 0.00079 115 4PY -0.00194 -0.00114 -0.01310 0.00079 -0.00140 116 4PZ 0.00042 0.00028 0.00341 -0.00017 0.00072 117 5PX -0.00008 0.00193 -0.00743 -0.00489 -0.00139 118 5PY 0.00035 -0.00804 0.02968 -0.00137 0.00046 119 5PZ -0.00006 0.00164 -0.00715 0.00031 -0.00129 120 6PX 0.00004 0.00607 0.00643 0.00690 0.00012 121 6PY -0.00018 -0.02637 -0.02583 0.00003 0.00665 122 6PZ -0.00002 0.00508 0.00624 -0.00013 0.00014 123 7D 0 0.00082 0.00129 0.06355 0.00075 0.00169 124 7D+1 -0.00015 -0.00020 -0.01335 -0.00157 0.00005 125 7D-1 0.00064 0.00095 0.05276 0.00005 -0.00051 126 7D+2 0.00135 0.00214 0.10324 0.00203 0.00129 127 7D-2 0.00070 0.00111 0.05445 -0.00590 -0.00095 128 8D 0 0.00018 0.00214 0.02166 0.00031 -0.00011 129 8D+1 -0.00003 -0.00041 -0.00454 -0.00020 0.00023 130 8D-1 0.00014 0.00171 0.01797 0.00024 -0.00079 131 8D+2 0.00029 0.00360 0.03519 0.00120 -0.00055 132 8D-2 0.00015 0.00187 0.01855 -0.00222 -0.00096 133 7 Cu 1S -0.00086 -0.00229 -0.00656 0.00434 0.00103 134 2S -0.00296 0.12150 -0.10649 0.05119 -0.00128 135 3S -0.01085 0.10087 -0.15205 0.03738 -0.00011 136 4PX 0.00180 -0.00909 -0.10007 0.00220 0.00061 137 4PY -0.00137 -0.01194 -0.02273 -0.00252 0.00163 138 4PZ 0.00098 -0.00279 -0.04361 0.00052 0.00028 139 5PX -0.00377 0.03406 -0.05746 0.00167 0.00184 140 5PY -0.00074 0.01239 -0.00837 0.00507 -0.00580 141 5PZ -0.00159 0.01398 -0.02471 0.00432 0.00046 142 6PX -0.00158 -0.00913 -0.03166 -0.00664 -0.00514 143 6PY 0.00028 0.02439 -0.00738 0.00579 0.00609 144 6PZ -0.00079 -0.00744 -0.01399 -0.00394 -0.00287 145 7D 0 0.00055 -0.00993 -0.08672 -0.00295 -0.00048 146 7D+1 0.00046 0.03607 0.19557 0.02239 0.00345 147 7D-1 0.00042 0.01436 0.02323 0.00779 -0.00107 148 7D+2 0.00191 0.05480 0.20851 0.02212 0.00864 149 7D-2 0.00035 0.02631 0.04725 0.01449 -0.00366 150 8D 0 0.00007 -0.00464 -0.02744 0.00077 0.00017 151 8D+1 0.00053 0.01330 0.06493 0.00537 0.00070 152 8D-1 0.00024 0.00492 0.00763 0.00222 -0.00146 153 8D+2 0.00116 0.01842 0.07105 0.00383 0.00254 154 8D-2 0.00030 0.00965 0.01440 0.00351 -0.00366 155 8 Cu 1S -0.00356 -0.00644 -0.00167 0.00027 -0.00234 156 2S -0.00415 0.07657 -0.09408 0.00339 -0.03569 157 3S -0.00365 -0.02425 -0.11285 -0.00127 0.00089 158 4PX -0.00040 -0.00575 -0.00137 0.00250 0.00132 159 4PY 0.00220 0.02709 0.02573 0.00122 -0.00338 160 4PZ 0.00036 -0.00086 0.02662 0.00007 0.00032 161 5PX -0.00077 0.01163 -0.01681 -0.00774 -0.00475 162 5PY 0.00496 -0.04838 0.08086 -0.00433 0.01479 163 5PZ 0.00190 0.01059 0.00011 -0.00012 0.00106 164 6PX 0.00034 -0.00511 -0.00322 0.00350 0.00301 165 6PY 0.00025 0.01098 0.02560 -0.00016 -0.01053 166 6PZ 0.00188 -0.02351 0.01152 0.00216 0.00126 167 7D 0 -0.00114 -0.02347 -0.04543 -0.00035 0.00889 168 7D+1 0.00004 -0.00534 -0.00042 -0.00114 0.00297 169 7D-1 -0.00167 0.02782 0.10192 0.00160 -0.01693 170 7D+2 0.00022 -0.04055 -0.20241 -0.00582 0.01611 171 7D-2 -0.00019 -0.01336 -0.07340 0.00730 0.00631 172 8D 0 -0.00026 -0.00708 -0.01584 -0.00004 0.00193 173 8D+1 0.00012 -0.00145 -0.00036 0.00028 0.00091 174 8D-1 -0.00097 0.00865 0.03381 0.00051 -0.00467 175 8D+2 0.00013 -0.01351 -0.06681 -0.00213 0.00369 176 8D-2 -0.00010 -0.00454 -0.02423 0.00380 0.00184 177 9 C 1S 0.00725 -0.03901 0.15743 0.00675 -0.02759 178 2S -0.01312 0.08151 -0.30180 -0.01505 0.06141 179 3S -0.00595 0.10603 -0.26198 -0.02344 0.09631 180 4PX 0.00191 -0.02772 0.03928 -0.01675 -0.02107 181 4PY -0.00779 0.11356 -0.16290 -0.02111 0.06451 182 4PZ 0.00178 -0.02601 0.03546 0.00484 -0.01984 183 5PX -0.00287 -0.00509 0.00044 -0.01396 -0.00269 184 5PY 0.01177 0.02086 -0.00301 -0.00267 -0.00354 185 5PZ -0.00267 -0.00488 -0.00004 0.00062 -0.00257 186 10 O 1S -0.00185 0.00265 -0.02076 -0.00143 0.00585 187 2S 0.00465 -0.00825 0.05930 0.00341 -0.01396 188 3S 0.01442 0.01469 0.09965 0.00613 -0.02506 189 4PX -0.00007 0.01185 0.01414 0.00450 0.01021 190 4PY 0.00035 -0.04830 -0.05514 0.01027 -0.03503 191 4PZ -0.00010 0.01104 0.01338 -0.00236 0.00971 192 5PX 0.00026 0.00142 0.00396 0.00799 0.00397 193 5PY -0.00101 -0.00569 -0.01445 0.00399 -0.00738 194 5PZ 0.00022 0.00128 0.00402 -0.00092 0.00379 6 7 8 9 10 6 4PZ 2.00064 7 5PX -0.00073 0.18006 8 5PY 0.00288 -0.01219 0.22730 9 5PZ 0.01554 0.00250 -0.01070 0.18283 10 6PX 0.00016 -0.04288 -0.01882 0.00475 0.37105 11 6PY -0.00136 -0.01954 0.03169 -0.01860 0.04745 12 6PZ -0.01712 0.00417 -0.01640 -0.04379 -0.01236 13 7D 0 -0.00234 -0.01265 -0.05558 -0.01399 -0.00853 14 7D+1 0.00054 0.07465 0.02606 -0.01114 0.04894 15 7D-1 0.00587 0.02590 -0.05286 -0.07747 0.01447 16 7D+2 -0.00840 0.05777 -0.05683 0.06351 0.01753 17 7D-2 -0.00390 -0.03655 -0.04771 0.02589 0.03113 18 8D 0 -0.00110 -0.00347 -0.01760 -0.00223 -0.00374 19 8D+1 -0.00001 0.02287 0.00843 -0.00246 0.01929 20 8D-1 0.00103 0.00839 -0.01765 -0.02637 0.00536 21 8D+2 -0.00201 0.01957 -0.01877 0.02017 0.00592 22 8D-2 -0.00098 -0.01411 -0.01628 0.00839 0.01268 23 2 Cu 1S 0.00309 0.00034 -0.00620 0.00226 0.00442 24 2S 0.03653 0.10690 0.04547 -0.09891 -0.10557 25 3S 0.02669 -0.01928 -0.00245 0.01782 -0.10227 26 4PX 0.00050 0.00106 0.00002 -0.01027 -0.02293 27 4PY -0.00176 -0.01384 -0.00091 0.00567 0.02186 28 4PZ 0.00196 -0.00434 -0.00475 -0.00730 -0.03614 29 5PX -0.00730 0.01826 0.00379 -0.01220 0.00652 30 5PY 0.00029 0.00770 -0.00256 -0.00311 -0.00912 31 5PZ -0.00375 -0.01330 0.00002 0.01481 -0.01217 32 6PX 0.00199 0.00309 0.00559 -0.00051 -0.01278 33 6PY 0.00507 -0.01515 -0.00671 0.01675 0.07368 34 6PZ -0.00298 0.00787 0.00073 -0.00067 -0.07514 35 7D 0 -0.00654 0.11178 0.03542 0.08954 0.19054 36 7D+1 -0.01704 -0.12212 -0.07873 0.08278 0.08455 37 7D-1 -0.00138 -0.01942 0.02343 0.01453 -0.00088 38 7D+2 0.01833 0.04203 0.03365 -0.12352 0.02561 39 7D-2 0.00871 0.02165 -0.05041 -0.07351 -0.16443 40 8D 0 -0.00405 0.03577 0.01127 0.03006 0.06379 41 8D+1 -0.00272 -0.04113 -0.02764 0.02851 0.03039 42 8D-1 0.00002 -0.00621 0.00700 0.00524 0.00021 43 8D+2 0.00533 0.01350 0.01119 -0.04053 0.00882 44 8D-2 0.00270 0.00589 -0.01654 -0.02294 -0.05357 45 3 Cu 1S 0.00163 -0.00241 -0.00259 0.00273 -0.00398 46 2S 0.02705 0.06505 0.03611 -0.06276 -0.10340 47 3S 0.00278 0.00799 -0.07835 0.02716 -0.05405 48 4PX -0.00066 -0.00986 -0.00106 -0.00040 0.02016 49 4PY 0.00240 0.00635 0.01840 -0.01662 -0.02233 50 4PZ 0.00228 -0.00343 -0.01117 -0.00427 -0.03200 51 5PX 0.00009 0.01971 0.02173 -0.00822 -0.02048 52 5PY -0.00960 0.00125 -0.01123 0.01144 -0.00677 53 5PZ -0.00491 0.00004 -0.00324 0.02195 -0.01909 54 6PX -0.00879 0.05157 0.01891 -0.04733 -0.14167 55 6PY 0.01680 -0.06234 0.01258 0.04220 0.11813 56 6PZ 0.00293 -0.01330 -0.01947 0.01823 0.05480 57 7D 0 -0.00418 0.01049 -0.02368 0.01974 -0.11535 58 7D+1 -0.00234 0.00963 -0.05611 0.03721 0.00793 59 7D-1 -0.00623 -0.03315 -0.15994 0.04539 0.03107 60 7D+2 -0.01221 0.00469 -0.09808 0.06539 0.02984 61 7D-2 0.00832 0.00035 0.05457 -0.05260 0.01328 62 8D 0 -0.00233 0.00313 -0.00793 0.00657 -0.03704 63 8D+1 -0.00040 0.00201 -0.01924 0.01390 0.00527 64 8D-1 -0.00050 -0.01159 -0.05267 0.01467 0.01067 65 8D+2 -0.00367 0.00220 -0.03159 0.02140 0.00930 66 8D-2 0.00255 -0.00022 0.01762 -0.01723 0.00523 67 4 Cu 1S 0.00112 0.00389 -0.00128 0.00182 0.00570 68 2S 0.01829 -0.08861 0.00354 -0.03909 0.11738 69 3S 0.00119 0.03163 -0.07337 0.02242 0.08093 70 4PX -0.00051 0.00094 -0.01034 0.00633 0.02864 71 4PY 0.00191 -0.01921 0.01056 -0.01096 0.03165 72 4PZ 0.00232 0.00744 -0.00704 -0.00713 0.02515 73 5PX 0.00363 0.02397 -0.00667 0.00248 -0.01112 74 5PY -0.00673 0.01726 -0.01392 0.01172 -0.00767 75 5PZ -0.00634 -0.00027 0.00108 0.02031 0.01805 76 6PX 0.00023 0.04027 -0.01365 0.01979 -0.08655 77 6PY 0.01185 0.08288 0.03641 0.03366 -0.17633 78 6PZ 0.00178 0.00836 -0.00977 0.00480 -0.01641 79 7D 0 -0.00550 0.02943 -0.06436 0.03892 0.06708 80 7D+1 0.00207 -0.05935 0.08717 -0.03093 0.07655 81 7D-1 0.00201 0.06697 -0.07282 -0.00978 -0.01385 82 7D+2 0.00009 -0.01400 0.00817 -0.00638 0.02595 83 7D-2 -0.01203 0.08184 -0.11545 0.07137 -0.02633 84 8D 0 -0.00250 0.01087 -0.02122 0.01332 0.01946 85 8D+1 -0.00051 -0.02076 0.02866 -0.01095 0.02757 86 8D-1 0.00168 0.02215 -0.02381 -0.00407 -0.00443 87 8D+2 0.00006 -0.00535 0.00280 -0.00226 0.00919 88 8D-2 -0.00368 0.02586 -0.03756 0.02330 -0.00713 89 5 Cu 1S -0.00455 0.00134 -0.00644 0.00002 0.00066 90 2S -0.04755 0.00401 0.07386 0.13436 -0.00802 91 3S -0.03476 -0.00141 -0.00616 -0.02561 -0.01415 92 4PX -0.00056 -0.01147 -0.00162 0.00562 -0.05820 93 4PY 0.00248 -0.00413 -0.00231 -0.01338 -0.01089 94 4PZ 0.00130 0.00181 0.00444 0.00635 0.00013 95 5PX 0.00177 0.00416 0.00217 0.00045 -0.01293 96 5PY 0.00073 0.00280 0.00032 0.01325 -0.00537 97 5PZ 0.00413 0.00121 0.00836 0.02627 0.00289 98 6PX 0.00168 0.00534 0.00378 0.00350 -0.07267 99 6PY -0.01149 0.00029 -0.00962 -0.02110 0.00465 100 6PZ -0.00437 -0.00200 0.00576 0.00090 0.01563 101 7D 0 -0.02867 0.03070 0.12822 0.13061 0.05784 102 7D+1 -0.00472 -0.14892 -0.00284 0.02922 -0.21144 103 7D-1 -0.02079 -0.00709 0.00777 0.12255 -0.00024 104 7D+2 -0.00127 0.00544 0.00566 0.00759 0.09518 105 7D-2 -0.00452 -0.06067 -0.00969 0.03125 -0.33068 106 8D 0 -0.00495 0.00993 0.04372 0.04403 0.01874 107 8D+1 -0.00117 -0.04892 -0.00044 0.01034 -0.06949 108 8D-1 -0.00492 -0.00267 0.00309 0.03907 0.00014 109 8D+2 -0.00038 0.00174 0.00043 0.00122 0.03178 110 8D-2 -0.00131 -0.01959 -0.00364 0.00945 -0.10981 111 6 Cu 1S -0.00043 0.00058 -0.00242 0.00053 -0.00065 112 2S -0.00290 0.01688 -0.06878 0.01571 -0.00368 113 3S -0.00152 -0.00575 0.02410 -0.00575 -0.01255 114 4PX -0.00018 -0.00185 -0.00112 0.00027 -0.04317 115 4PY 0.00072 -0.00108 0.00231 -0.00102 -0.00764 116 4PZ 0.00168 0.00027 -0.00116 -0.00201 0.00233 117 5PX 0.00032 0.01559 0.00189 -0.00043 -0.01452 118 5PY -0.00125 0.00170 0.00863 0.00150 -0.00099 119 5PZ -0.00496 -0.00044 0.00184 0.01567 0.00019 120 6PX 0.00010 0.02475 0.01463 -0.00307 -0.03148 121 6PY -0.00002 0.01468 -0.03241 0.01377 -0.00640 122 6PZ 0.00661 -0.00351 0.01318 0.02604 0.00199 123 7D 0 0.00422 -0.00621 0.02167 -0.01753 0.01382 124 7D+1 0.00239 -0.00170 -0.00746 -0.00609 -0.06260 125 7D-1 -0.00430 -0.00741 0.02471 0.01838 -0.02184 126 7D+2 -0.00053 -0.02210 0.04050 -0.01321 -0.07863 127 7D-2 0.00005 0.01886 0.02797 -0.00673 0.12694 128 8D 0 0.00154 -0.00231 0.00935 -0.00606 0.00434 129 8D+1 0.00078 -0.00127 -0.00306 -0.00186 -0.02014 130 8D-1 -0.00186 -0.00304 0.01002 0.00667 -0.00716 131 8D+2 0.00029 -0.00862 0.01673 -0.00564 -0.02627 132 8D-2 0.00023 0.00636 0.01118 -0.00281 0.04287 133 7 Cu 1S 0.00188 0.00278 -0.00572 0.00189 -0.00460 134 2S 0.02320 -0.13890 -0.00659 -0.06184 0.12409 135 3S 0.01697 0.02243 0.00621 0.01150 0.10879 136 4PX 0.00017 -0.00121 -0.00197 0.00537 0.02329 137 4PY -0.00113 0.01465 0.00477 0.00460 -0.02855 138 4PZ 0.00183 0.00340 -0.00303 -0.01058 0.03985 139 5PX 0.00480 0.02528 0.00780 0.00880 0.01041 140 5PY 0.00192 0.00298 -0.00300 0.00236 0.00979 141 5PZ -0.00719 0.00880 0.00437 0.00808 0.01050 142 6PX -0.00268 -0.00576 -0.00425 -0.00446 0.03505 143 6PY 0.00197 0.02044 -0.00101 0.01023 -0.06254 144 6PZ -0.00085 -0.00685 -0.00131 0.00263 0.05510 145 7D 0 -0.01202 -0.00591 -0.01299 0.11542 -0.21460 146 7D+1 -0.00166 -0.14525 0.00857 0.05605 0.04507 147 7D-1 0.00124 -0.04696 0.01860 0.00689 0.01321 148 7D+2 0.01559 -0.11186 -0.03846 -0.11792 0.08618 149 7D-2 0.00603 -0.07285 0.05306 -0.03143 -0.11668 150 8D 0 -0.00481 0.00007 -0.00476 0.03867 -0.07335 151 8D+1 -0.00315 -0.04904 0.00383 0.01758 0.01718 152 8D-1 -0.00020 -0.01553 0.00605 0.00256 0.00431 153 8D+2 0.00466 -0.03602 -0.01170 -0.03844 0.02816 154 8D-2 0.00166 -0.02489 0.01726 -0.01089 -0.03828 155 8 Cu 1S -0.00144 0.00022 -0.00327 -0.00309 -0.00009 156 2S -0.02691 0.00133 0.05337 0.08222 -0.01058 157 3S -0.00592 0.01739 -0.08149 0.00327 0.00425 158 4PX 0.00022 -0.01010 -0.00692 -0.00182 -0.03238 159 4PY -0.00046 -0.00553 0.02286 0.01059 -0.00957 160 4PZ 0.00370 0.00018 0.00118 -0.00884 0.00765 161 5PX -0.00072 0.01838 0.01007 0.00007 -0.04661 162 5PY 0.00376 0.00625 -0.00943 -0.00051 -0.01252 163 5PZ -0.00838 -0.00541 0.02584 0.02110 0.00703 164 6PX 0.00673 0.00274 0.00438 0.02476 -0.01127 165 6PY -0.02057 -0.01080 0.00757 -0.06639 0.00834 166 6PZ 0.01997 0.00263 0.03724 0.07384 -0.02524 167 7D 0 0.00808 0.00474 -0.05129 -0.01489 -0.03490 168 7D+1 0.00144 0.01113 -0.01031 -0.00805 0.15777 169 7D-1 -0.00258 -0.01225 0.12471 0.02698 0.02258 170 7D+2 0.00898 0.05236 -0.16083 -0.02405 -0.02415 171 7D-2 0.00205 -0.03265 -0.06132 0.00132 0.11224 172 8D 0 0.00293 0.00135 -0.01553 -0.00330 -0.01153 173 8D+1 0.00016 0.00420 -0.00289 -0.00228 0.05162 174 8D-1 0.00079 -0.00378 0.04117 0.00929 0.00754 175 8D+2 0.00260 0.01751 -0.05306 -0.00868 -0.00786 176 8D-2 0.00056 -0.01134 -0.02035 0.00026 0.03679 177 9 C 1S 0.00630 -0.01033 0.04191 -0.00971 -0.00645 178 2S -0.01409 0.03295 -0.13462 0.03075 0.00523 179 3S -0.02165 0.02784 -0.11262 0.02610 0.02059 180 4PX 0.00481 0.04206 0.04793 -0.01102 -0.00702 181 4PY -0.01977 0.04793 -0.14247 0.04492 0.04511 182 4PZ -0.01744 -0.01114 0.04560 0.04378 -0.01074 183 5PX 0.00061 0.01662 0.00375 -0.00088 -0.01806 184 5PY -0.00246 0.00370 0.00252 0.00354 -0.00145 185 5PZ -0.01406 -0.00087 0.00351 0.01674 0.00032 186 10 O 1S -0.00134 -0.00324 0.01344 -0.00296 -0.01106 187 2S 0.00321 0.00496 -0.02061 0.00447 0.01928 188 3S 0.00572 0.00741 -0.03079 0.00679 0.03235 189 4PX -0.00233 -0.06667 -0.03744 0.00852 0.12231 190 4PY 0.00963 -0.03734 0.07750 -0.03515 -0.02619 191 4PZ 0.00490 0.00850 -0.03512 -0.06861 0.00455 192 5PX -0.00090 -0.03995 -0.01462 0.00335 0.05491 193 5PY 0.00373 -0.01454 0.01609 -0.01374 0.00040 194 5PZ 0.00815 0.00332 -0.01369 -0.04080 -0.00072 11 12 13 14 15 11 6PY 0.19132 12 6PZ 0.04837 0.39285 13 7D 0 -0.05651 -0.03832 1.51165 14 7D+1 0.01470 -0.02423 -0.00244 1.51917 15 7D-1 -0.03108 -0.00324 0.01457 0.01282 1.46320 16 7D+2 -0.05832 0.04015 -0.01782 -0.00893 0.00080 17 7D-2 -0.02596 0.01361 -0.01068 0.01581 0.00461 18 8D 0 -0.02086 -0.01609 0.47686 0.00006 0.00088 19 8D+1 0.00540 -0.00988 -0.00021 0.47642 0.00073 20 8D-1 -0.01095 -0.00079 0.00293 0.00180 0.46897 21 8D+2 -0.02073 0.01527 -0.00173 -0.00160 0.00202 22 8D-2 -0.00884 0.00510 -0.00089 0.00154 0.00131 23 2 Cu 1S -0.00027 -0.00297 -0.00003 0.00216 0.00202 24 2S -0.01755 0.08937 0.00536 -0.02485 0.00177 25 3S 0.00915 0.08019 0.01938 -0.10490 -0.00314 26 4PX 0.01812 -0.03856 0.01002 -0.02127 -0.00270 27 4PY 0.00431 -0.04385 0.00413 -0.00596 0.01327 28 4PZ -0.04100 -0.01830 0.00710 0.01330 -0.00038 29 5PX -0.00066 -0.01657 -0.04257 0.06551 0.00713 30 5PY 0.00579 -0.00143 -0.00886 0.02477 -0.03082 31 5PZ -0.00780 -0.00183 -0.02464 -0.04279 0.00033 32 6PX -0.02225 -0.03805 0.01152 -0.01635 -0.00497 33 6PY -0.04007 -0.07219 0.01319 -0.01425 0.02401 34 6PZ 0.00222 -0.01903 0.01106 0.00783 0.00128 35 7D 0 0.14884 0.23406 0.02743 -0.01097 -0.00332 36 7D+1 0.10075 -0.08451 -0.01265 -0.03107 0.00177 37 7D-1 0.04197 -0.21480 0.00717 -0.00380 0.01809 38 7D+2 0.05225 -0.03672 -0.02525 0.01996 0.00873 39 7D-2 -0.05055 -0.15326 -0.00868 0.01087 -0.04955 40 8D 0 0.04955 0.07650 0.00178 -0.00092 -0.00075 41 8D+1 0.03373 -0.02961 -0.00181 -0.00904 0.00173 42 8D-1 0.01456 -0.07229 0.00271 -0.00022 0.00508 43 8D+2 0.01818 -0.01206 -0.00330 0.00737 0.00019 44 8D-2 -0.01677 -0.05156 -0.00125 0.00248 -0.01171 45 3 Cu 1S -0.00316 0.00387 0.00187 0.00186 0.00090 46 2S -0.00703 0.08359 0.00093 0.01501 -0.04233 47 3S -0.04910 0.05716 0.02021 -0.00748 -0.07938 48 4PX 0.00315 -0.04307 0.00312 0.00188 -0.00462 49 4PY 0.00221 0.00168 -0.00189 -0.00610 -0.01995 50 4PZ -0.01761 -0.00559 0.01216 0.00137 0.00515 51 5PX -0.01288 -0.01798 -0.01901 -0.00409 0.01906 52 5PY 0.00605 -0.01827 -0.00002 0.02077 0.06225 53 5PZ -0.01364 -0.03127 -0.02049 -0.00378 -0.02767 54 6PX 0.02044 0.09597 -0.01258 0.05294 0.00301 55 6PY 0.00396 -0.09388 0.00426 -0.08329 -0.05312 56 6PZ -0.01969 -0.04115 0.02360 -0.00527 0.01160 57 7D 0 -0.06231 -0.11572 0.02991 -0.00824 -0.02094 58 7D+1 0.05304 0.01257 -0.01297 -0.00250 -0.00478 59 7D-1 0.03258 -0.00619 -0.02090 -0.00296 -0.01483 60 7D+2 -0.00062 0.04326 0.01597 -0.02100 -0.00335 61 7D-2 -0.00810 0.11043 -0.00111 -0.02043 0.02284 62 8D 0 -0.02032 -0.03849 0.00523 -0.00158 -0.00323 63 8D+1 0.01890 0.00169 -0.00388 -0.00180 0.00038 64 8D-1 0.01106 -0.00261 -0.00346 -0.00051 -0.00611 65 8D+2 -0.00059 0.01464 0.00201 -0.00439 -0.00018 66 8D-2 -0.00283 0.03548 0.00364 -0.00414 0.00602 67 4 Cu 1S -0.00116 0.00231 0.00273 -0.00154 0.00062 68 2S 0.03963 0.05003 0.00160 0.00797 -0.02826 69 3S -0.02027 0.04089 0.00444 0.03665 -0.03857 70 4PX 0.00094 0.02808 0.00416 -0.00850 0.00994 71 4PY 0.01290 0.00904 -0.00714 0.01120 -0.00913 72 4PZ -0.00468 -0.02531 0.01206 0.00337 -0.00004 73 5PX -0.00042 0.01893 -0.00032 0.03008 -0.02855 74 5PY 0.00797 -0.01054 0.02140 -0.03404 0.02578 75 5PZ -0.00735 -0.04250 -0.02543 -0.00477 -0.00662 76 6PX -0.06210 -0.02993 0.01225 -0.00172 0.02279 77 6PY -0.07776 -0.07305 -0.03767 0.08347 -0.00335 78 6PZ -0.02111 -0.01173 0.02079 -0.00082 0.00370 79 7D 0 0.00789 -0.11171 0.00966 0.02424 -0.01821 80 7D+1 -0.04657 -0.11414 0.02920 0.00371 -0.00922 81 7D-1 -0.00446 0.00023 -0.01367 -0.00493 -0.00339 82 7D+2 -0.02547 0.09489 0.00806 0.00843 0.02783 83 7D-2 -0.00626 -0.04157 0.00490 0.01573 -0.01257 84 8D 0 0.00243 -0.03762 0.00091 0.00376 -0.00256 85 8D+1 -0.01546 -0.03628 0.00646 -0.00062 -0.00189 86 8D-1 -0.00154 0.00000 -0.00101 0.00113 -0.00372 87 8D+2 -0.00891 0.03140 0.00381 0.00121 0.00719 88 8D-2 -0.00180 -0.01302 -0.00195 0.00299 -0.00345 89 5 Cu 1S 0.00041 0.00505 -0.00089 0.00006 -0.00260 90 2S -0.04599 -0.13142 0.02979 0.00383 0.01315 91 3S -0.01852 -0.13042 0.11896 0.01569 0.05924 92 4PX -0.01180 0.00101 0.00297 -0.01435 0.00126 93 4PY 0.02410 0.04477 0.02025 0.00187 -0.00710 94 4PZ 0.04072 0.00014 0.02365 0.00490 0.01630 95 5PX -0.00340 0.00543 -0.01121 0.05132 -0.00413 96 5PY 0.00667 -0.00455 -0.06233 -0.00589 0.01846 97 5PZ 0.00715 0.01696 -0.07595 -0.01287 -0.06028 98 6PX -0.01247 -0.00976 0.00073 -0.02387 -0.00096 99 6PY -0.01870 0.11869 0.03603 0.00141 -0.00672 100 6PZ -0.00697 0.02272 0.01052 0.00450 0.01445 101 7D 0 -0.03342 -0.03804 -0.02163 -0.01321 -0.02981 102 7D+1 -0.06794 0.03235 -0.00729 0.04473 -0.00542 103 7D-1 -0.05935 -0.10972 -0.05410 -0.00797 0.03522 104 7D+2 0.17798 0.10105 0.00904 0.00591 -0.01295 105 7D-2 -0.00856 0.08134 -0.00773 0.01406 0.00600 106 8D 0 -0.01125 -0.01472 -0.00976 -0.00348 -0.00503 107 8D+1 -0.02258 0.00978 -0.00110 0.00595 -0.00102 108 8D-1 -0.01993 -0.03642 -0.01454 -0.00223 0.00690 109 8D+2 0.06048 0.03564 0.00036 0.00107 -0.00216 110 8D-2 -0.00229 0.02793 -0.00217 0.00047 0.00100 111 6 Cu 1S 0.00207 -0.00075 0.00294 -0.00057 0.00235 112 2S 0.01574 -0.00357 0.04183 -0.00822 0.03373 113 3S 0.04651 -0.01297 0.00512 -0.00143 0.00560 114 4PX -0.00806 0.00119 0.00191 -0.00381 -0.00007 115 4PY -0.01214 -0.00745 -0.00111 -0.00006 -0.00183 116 4PZ -0.00722 -0.04508 0.00401 0.00167 0.00085 117 5PX -0.00133 0.00043 -0.00304 0.00610 0.00016 118 5PY -0.00993 -0.00039 0.00149 0.00021 0.00258 119 5PZ -0.00180 -0.01518 -0.00610 -0.00253 -0.00165 120 6PX -0.00628 0.00115 -0.01352 0.04027 0.00718 121 6PY -0.00727 -0.00657 -0.00598 0.00716 -0.00341 122 6PZ -0.00542 -0.03217 -0.02134 -0.00966 -0.03174 123 7D 0 0.01430 -0.03176 0.00059 0.00367 -0.00688 124 7D+1 -0.02245 -0.01721 0.00512 -0.00035 -0.00135 125 7D-1 0.04325 0.15956 -0.01695 -0.00686 0.00546 126 7D+2 -0.01005 -0.05240 -0.00280 -0.00075 -0.00862 127 7D-2 0.03757 -0.02161 -0.00671 0.00902 -0.00346 128 8D 0 0.00458 -0.01134 -0.00092 0.00133 -0.00314 129 8D+1 -0.00741 -0.00613 0.00183 -0.00006 -0.00036 130 8D-1 0.01453 0.05334 -0.00666 -0.00228 0.00245 131 8D+2 -0.00327 -0.01704 -0.00241 0.00043 -0.00455 132 8D-2 0.01270 -0.00710 -0.00286 0.00269 -0.00208 133 7 Cu 1S -0.00212 -0.00173 0.00119 -0.00222 0.00061 134 2S 0.03142 0.05449 -0.00515 0.01544 0.00856 135 3S 0.05406 0.04554 -0.02596 0.06923 0.02783 136 4PX -0.02435 0.04220 0.00280 -0.01801 -0.00976 137 4PY -0.01734 -0.01719 0.00335 -0.00709 0.00690 138 4PZ -0.01734 -0.04411 0.01053 0.00381 0.00007 139 5PX -0.00045 0.01209 -0.00292 0.06077 0.02985 140 5PY 0.00966 0.00149 0.00126 0.01404 -0.01459 141 5PZ -0.00281 -0.00967 -0.03788 -0.01479 0.00038 142 6PX 0.05129 0.04476 -0.00181 -0.01763 -0.01131 143 6PY -0.05522 -0.03209 0.00819 -0.00446 0.01755 144 6PZ 0.02002 -0.05331 0.01241 0.01049 0.00430 145 7D 0 0.09608 0.20054 0.00275 0.03039 0.01199 146 7D+1 -0.02498 0.28329 0.02728 0.01075 0.00222 147 7D-1 0.00756 -0.17371 0.01638 0.00507 -0.00540 148 7D+2 0.01943 -0.09404 -0.00861 -0.01440 -0.03085 149 7D-2 0.01900 0.07719 0.00263 -0.02626 0.02451 150 8D 0 0.03146 0.06525 -0.00159 0.00419 0.00272 151 8D+1 -0.00796 0.09447 0.00327 -0.00017 -0.00058 152 8D-1 0.00285 -0.05825 0.00414 0.00003 -0.00047 153 8D+2 0.00667 -0.03108 -0.00011 -0.00273 -0.00890 154 8D-2 0.00723 0.02597 0.00280 -0.00734 0.00455 155 8 Cu 1S -0.00411 -0.00516 -0.00103 -0.00101 0.00137 156 2S -0.03256 -0.12756 -0.04703 -0.01422 0.03441 157 3S -0.06024 -0.06937 -0.04537 -0.02589 0.10372 158 4PX -0.00487 0.01422 0.00284 -0.00690 -0.00255 159 4PY 0.00450 -0.01127 -0.00836 -0.00232 0.01084 160 4PZ 0.02184 0.04566 -0.00548 0.00142 -0.00283 161 5PX -0.01308 0.00624 -0.00787 0.01942 0.00865 162 5PY 0.00929 0.00321 0.02551 0.01230 -0.05457 163 5PZ -0.00452 -0.00748 0.02032 0.00514 -0.02388 164 6PX -0.01033 -0.05359 -0.01725 -0.00942 -0.02099 165 6PY 0.03204 0.11921 0.04426 0.00472 0.06389 166 6PZ -0.01173 -0.20405 -0.06667 -0.00209 -0.05214 167 7D 0 -0.03775 0.02276 0.00622 -0.00586 0.02854 168 7D+1 0.03669 -0.00880 -0.00788 -0.00226 -0.00621 169 7D-1 -0.06203 -0.05194 0.03829 -0.00451 0.02181 170 7D+2 0.00940 -0.00101 0.01302 -0.00815 0.02270 171 7D-2 0.01725 -0.02382 0.00655 0.01730 0.01270 172 8D 0 -0.01429 0.00434 -0.00096 -0.00145 0.00634 173 8D+1 0.01153 -0.00401 -0.00241 -0.00119 -0.00170 174 8D-1 -0.02112 -0.01730 0.00952 -0.00135 0.00570 175 8D+2 0.00402 0.00142 0.00271 -0.00070 0.00428 176 8D-2 0.00594 -0.00699 0.00225 0.00155 0.00288 177 9 C 1S 0.02536 -0.00593 0.00062 -0.00012 0.00053 178 2S -0.02017 0.00448 0.00148 -0.00032 0.00127 179 3S -0.08535 0.01815 0.05396 -0.01079 0.04406 180 4PX 0.04515 -0.01001 -0.00592 0.04703 0.02011 181 4PY -0.18382 0.04070 -0.00881 0.01995 -0.03863 182 4PZ 0.04210 -0.00735 0.03988 0.02249 -0.12986 183 5PX -0.00139 0.00048 -0.00794 0.02955 0.00826 184 5PY -0.01356 -0.00191 0.00454 0.00822 -0.00932 185 5PZ -0.00177 -0.01937 0.00927 0.00770 -0.06346 186 10 O 1S 0.04689 -0.01022 0.00382 -0.00078 0.00316 187 2S -0.08217 0.01783 -0.01000 0.00201 -0.00821 188 3S -0.13669 0.02985 -0.03157 0.00648 -0.02623 189 4PX -0.02707 0.00532 0.01109 -0.04296 -0.01328 190 4PY 0.22658 -0.02280 -0.02008 -0.01313 0.01450 191 4PZ -0.02494 0.12152 -0.03544 -0.02453 0.12949 192 5PX 0.00024 -0.00037 0.01063 -0.03425 -0.00859 193 5PY 0.05416 0.00103 -0.01861 -0.00849 0.00510 194 5PZ 0.00066 0.05534 -0.01927 -0.01537 0.09149 16 17 18 19 20 16 7D+2 1.48638 17 7D-2 0.01484 1.46794 18 8D 0 -0.00050 -0.00142 0.15108 19 8D+1 -0.00215 0.00395 0.00021 0.14970 20 8D-1 0.00092 0.00138 -0.00014 -0.00058 0.15073 21 8D+2 0.47375 0.00315 0.00151 -0.00044 0.00125 22 8D-2 0.00261 0.47067 0.00051 0.00021 0.00060 23 2 Cu 1S 0.00018 -0.00141 -0.00025 0.00019 0.00065 24 2S 0.02130 0.00394 -0.00015 -0.01058 0.00230 25 3S 0.07977 0.01764 0.00429 -0.03697 -0.00042 26 4PX 0.00761 0.00323 0.00282 -0.00182 0.00000 27 4PY 0.01088 -0.00982 0.00167 -0.00009 0.00484 28 4PZ -0.01892 -0.00401 0.00221 -0.00030 -0.00087 29 5PX -0.03052 -0.01568 -0.01336 0.02083 0.00235 30 5PY -0.02380 0.03416 -0.00286 0.00752 -0.00968 31 5PZ 0.06192 0.02059 -0.00737 -0.01361 0.00002 32 6PX -0.00490 0.00294 0.00456 -0.00571 -0.00175 33 6PY 0.02685 -0.00951 0.00524 -0.00413 0.00850 34 6PZ -0.02287 -0.00534 0.00385 0.00237 0.00025 35 7D 0 -0.03628 -0.00019 0.00116 -0.00185 -0.00092 36 7D+1 0.02227 0.00358 -0.00120 -0.00387 0.00101 37 7D-1 0.02344 -0.03302 0.00186 0.00108 0.00442 38 7D+2 -0.00414 -0.00034 -0.00333 0.00346 0.00105 39 7D-2 -0.02415 0.02392 -0.00260 0.00044 -0.01067 40 8D 0 -0.00782 0.00206 -0.00191 0.00023 -0.00016 41 8D+1 0.00771 -0.00096 0.00039 -0.00080 0.00071 42 8D-1 0.00566 -0.00556 0.00064 0.00070 0.00113 43 8D+2 -0.00307 0.00081 0.00051 0.00135 -0.00059 44 8D-2 -0.00810 0.00365 -0.00031 -0.00022 -0.00197 45 3 Cu 1S 0.00128 0.00218 0.00070 0.00066 0.00056 46 2S -0.04143 0.03173 -0.00120 0.00341 -0.01353 47 3S -0.03943 0.08575 0.00779 -0.00081 -0.02867 48 4PX -0.00537 -0.00668 0.00119 0.00157 -0.00089 49 4PY -0.01533 0.00292 0.00047 -0.00130 -0.00418 50 4PZ 0.00993 -0.00552 0.00407 -0.00076 0.00034 51 5PX 0.01278 -0.00627 -0.00637 -0.00184 0.00685 52 5PY 0.04207 -0.02426 0.00047 0.00654 0.02017 53 5PZ -0.02233 0.03562 -0.00571 -0.00059 -0.01021 54 6PX -0.04472 -0.03146 -0.00474 0.01631 0.00108 55 6PY 0.01289 0.02731 0.00161 -0.02746 -0.01776 56 6PZ 0.02861 0.00097 0.00889 -0.00085 0.00352 57 7D 0 0.02572 -0.00929 0.00430 -0.00163 -0.00310 58 7D+1 -0.02441 -0.01752 -0.00424 -0.00097 -0.00101 59 7D-1 -0.01417 0.01057 -0.00223 0.00023 -0.00438 60 7D+2 0.00987 0.02563 0.00253 -0.00385 0.00102 61 7D-2 0.03362 0.02618 0.00255 -0.00432 0.00392 62 8D 0 0.00711 -0.00066 -0.00005 -0.00015 0.00013 63 8D+1 -0.00455 -0.00377 -0.00127 -0.00060 0.00028 64 8D-1 -0.00473 -0.00063 0.00038 0.00024 -0.00184 65 8D+2 0.00056 0.00664 -0.00027 -0.00045 0.00066 66 8D-2 0.01052 0.00534 0.00214 -0.00055 0.00077 67 4 Cu 1S 0.00194 -0.00057 0.00105 -0.00065 0.00038 68 2S -0.00058 -0.06228 -0.00152 0.00338 -0.00914 69 3S 0.05200 -0.10068 0.00291 0.01211 -0.01422 70 4PX 0.00857 0.01056 0.00001 -0.00125 0.00241 71 4PY 0.00012 -0.01410 -0.00112 0.00283 -0.00172 72 4PZ -0.00029 0.01013 0.00361 0.00234 -0.00035 73 5PX 0.00608 -0.05075 0.00034 0.00958 -0.00971 74 5PY -0.00371 0.04244 0.00748 -0.01085 0.00824 75 5PZ 0.01412 -0.03498 -0.00739 -0.00109 -0.00305 76 6PX 0.03993 0.02644 0.00528 -0.00139 0.00747 77 6PY 0.07618 0.00318 -0.01173 0.02749 -0.00137 78 6PZ 0.00409 0.01661 0.00787 -0.00019 0.00095 79 7D 0 0.00546 0.01328 0.00022 0.00346 -0.00281 80 7D+1 0.01536 0.02159 0.00557 -0.00033 -0.00107 81 7D-1 0.01620 -0.00861 -0.00002 0.00066 -0.00267 82 7D+2 0.05625 0.01316 0.00310 0.00159 0.00643 83 7D-2 0.00031 -0.01776 0.00004 0.00138 -0.00149 84 8D 0 0.00257 0.00372 -0.00063 -0.00022 0.00015 85 8D+1 0.00447 0.00402 0.00082 -0.00067 0.00001 86 8D-1 0.00172 -0.00118 0.00114 0.00112 -0.00175 87 8D+2 0.01365 0.00349 0.00137 0.00000 0.00147 88 8D-2 -0.00213 -0.00704 -0.00118 -0.00027 -0.00024 89 5 Cu 1S 0.00168 0.00030 0.00024 0.00025 -0.00103 90 2S 0.00483 0.00392 0.01349 0.00312 0.00082 91 3S 0.00785 0.01080 0.04214 0.00688 0.01658 92 4PX -0.00296 -0.00414 0.00060 -0.00453 0.00014 93 4PY 0.01027 0.00265 0.00367 -0.00007 -0.00339 94 4PZ -0.00104 0.00239 0.00127 0.00049 0.00190 95 5PX 0.00338 0.01628 -0.00354 0.01584 -0.00134 96 5PY -0.01834 -0.00156 -0.01937 -0.00177 0.00552 97 5PZ -0.00661 -0.01403 -0.02421 -0.00398 -0.01937 98 6PX -0.00828 -0.00535 0.00051 -0.00864 -0.00037 99 6PY 0.02328 0.00795 0.01177 -0.00002 -0.00202 100 6PZ -0.00628 -0.00052 0.00367 0.00145 0.00549 101 7D 0 0.01270 -0.00184 -0.00325 -0.00163 -0.00433 102 7D+1 0.01290 0.01568 -0.00036 0.00496 -0.00069 103 7D-1 -0.03717 -0.00494 -0.00891 -0.00083 0.00560 104 7D+2 -0.00582 0.00607 0.00028 0.00081 -0.00326 105 7D-2 0.00247 -0.01825 -0.00166 0.00172 0.00043 106 8D 0 0.00220 0.00047 -0.00187 -0.00024 0.00013 107 8D+1 0.00393 0.00064 0.00028 -0.00116 0.00002 108 8D-1 -0.01070 -0.00299 -0.00176 -0.00015 0.00039 109 8D+2 -0.00011 0.00163 -0.00078 -0.00003 -0.00039 110 8D-2 0.00043 -0.00457 -0.00043 -0.00073 -0.00016 111 6 Cu 1S 0.00489 0.00254 0.00082 -0.00016 0.00066 112 2S 0.07003 0.03639 0.01387 -0.00272 0.01120 113 3S 0.01037 0.00571 0.00156 -0.00049 0.00187 114 4PX 0.00090 -0.00141 0.00052 -0.00127 -0.00015 115 4PY -0.00417 -0.00252 -0.00013 -0.00015 -0.00018 116 4PZ -0.00097 -0.00007 0.00081 0.00032 0.00095 117 5PX -0.00115 0.00187 -0.00061 0.00108 -0.00002 118 5PY 0.00632 0.00371 0.00089 0.00000 0.00071 119 5PZ 0.00147 0.00011 -0.00069 -0.00015 -0.00105 120 6PX 0.01256 -0.00912 -0.00453 0.01355 0.00239 121 6PY 0.01180 0.00157 -0.00202 0.00241 -0.00113 122 6PZ 0.02195 0.00760 -0.00722 -0.00326 -0.01058 123 7D 0 -0.00902 -0.00401 -0.00163 0.00090 -0.00181 124 7D+1 0.00205 -0.00311 0.00133 -0.00082 0.00010 125 7D-1 -0.00310 -0.00383 -0.00517 -0.00173 0.00045 126 7D+2 -0.01147 -0.01439 -0.00182 0.00017 -0.00362 127 7D-2 -0.01160 0.01066 -0.00234 0.00253 -0.00152 128 8D 0 -0.00456 -0.00192 -0.00093 0.00032 -0.00083 129 8D+1 0.00140 -0.00154 0.00049 -0.00029 0.00008 130 8D-1 -0.00259 -0.00220 -0.00211 -0.00062 0.00039 131 8D+2 -0.00608 -0.00664 -0.00103 0.00028 -0.00178 132 8D-2 -0.00567 0.00359 -0.00098 0.00078 -0.00081 133 7 Cu 1S -0.00171 0.00115 -0.00007 -0.00040 0.00025 134 2S 0.02221 0.01712 -0.00433 0.00580 0.00386 135 3S 0.08902 0.06187 -0.01146 0.02405 0.00943 136 4PX -0.01618 -0.01646 -0.00181 -0.00119 -0.00227 137 4PY -0.00666 0.01345 0.00130 -0.00197 0.00258 138 4PZ -0.01317 -0.00943 0.00197 0.00315 0.00052 139 5PX 0.05774 0.04914 -0.00086 0.01918 0.00939 140 5PY 0.03026 -0.03549 0.00020 0.00468 -0.00457 141 5PZ 0.04641 0.02616 -0.01164 -0.00440 0.00017 142 6PX -0.01327 -0.01402 -0.00151 -0.00601 -0.00401 143 6PY 0.00678 0.03123 0.00353 -0.00200 0.00608 144 6PZ -0.01673 -0.01159 0.00431 0.00418 0.00135 145 7D 0 -0.00743 -0.00960 -0.00147 0.00351 0.00173 146 7D+1 -0.02123 -0.03222 0.00165 0.00174 0.00019 147 7D-1 -0.01557 0.01894 0.00269 -0.00025 -0.00077 148 7D+2 -0.00686 -0.04851 -0.00327 0.00016 -0.00680 149 7D-2 -0.01821 0.03289 0.00240 -0.00570 0.00505 150 8D 0 -0.00037 -0.00202 -0.00124 -0.00071 0.00020 151 8D+1 -0.00470 -0.00972 -0.00130 -0.00057 -0.00031 152 8D-1 -0.00303 0.00237 0.00041 -0.00061 0.00017 153 8D+2 -0.00449 -0.01423 -0.00020 0.00073 -0.00181 154 8D-2 -0.00276 0.00509 0.00133 -0.00138 0.00045 155 8 Cu 1S 0.00273 0.00147 -0.00018 -0.00032 0.00033 156 2S -0.03235 -0.00810 -0.01367 -0.00353 0.00923 157 3S -0.04527 -0.00122 -0.01841 -0.01004 0.03753 158 4PX 0.00710 -0.00909 0.00075 -0.00280 -0.00085 159 4PY -0.02210 -0.01040 -0.00180 -0.00088 0.00228 160 4PZ -0.00729 -0.00184 -0.00270 0.00049 -0.00225 161 5PX -0.01763 0.01858 -0.00239 0.00604 0.00261 162 5PY 0.06209 0.02324 0.00902 0.00404 -0.01771 163 5PZ 0.01367 -0.00199 0.00814 0.00252 -0.00965 164 6PX 0.01309 -0.01150 -0.00536 -0.00337 -0.00707 165 6PY -0.05188 -0.01735 0.01470 0.00152 0.02099 166 6PZ -0.01621 -0.01177 -0.02034 0.00028 -0.01843 167 7D 0 0.01470 0.00246 0.00117 -0.00130 0.00570 168 7D+1 -0.01569 0.02573 -0.00163 -0.00102 -0.00150 169 7D-1 0.03693 0.02144 0.00870 -0.00089 0.00537 170 7D+2 -0.00878 -0.00944 0.00218 -0.00067 0.00377 171 7D-2 -0.00865 0.03192 0.00196 0.00119 0.00259 172 8D 0 0.00158 -0.00040 -0.00053 -0.00025 0.00082 173 8D+1 -0.00504 0.00560 -0.00045 -0.00044 -0.00041 174 8D-1 0.01166 0.00738 0.00182 -0.00025 0.00131 175 8D+2 -0.00308 -0.00043 0.00017 0.00042 0.00020 176 8D-2 -0.00002 0.00303 0.00065 -0.00095 0.00043 177 9 C 1S 0.00103 0.00055 0.00258 -0.00053 0.00215 178 2S 0.00281 0.00145 -0.00625 0.00128 -0.00520 179 3S 0.09057 0.04691 0.01586 -0.00314 0.01288 180 4PX 0.07124 -0.11577 -0.00382 0.01469 0.00445 181 4PY -0.00094 -0.03826 0.00574 0.00441 -0.00489 182 4PZ 0.04232 0.01979 0.01045 0.00735 -0.04135 183 5PX 0.02898 -0.05273 -0.00202 0.00887 0.00287 184 5PY 0.01798 -0.00771 0.00042 0.00286 -0.00413 185 5PZ 0.01931 0.00822 0.00404 0.00281 -0.02041 186 10 O 1S 0.00653 0.00340 0.00464 -0.00094 0.00384 187 2S -0.01697 -0.00883 -0.01041 0.00210 -0.00860 188 3S -0.05416 -0.02820 -0.01248 0.00255 -0.01035 189 4PX -0.05696 0.11889 0.00541 -0.01340 -0.00252 190 4PY -0.04532 0.01296 -0.01833 -0.00247 -0.00282 191 4PZ -0.02828 -0.01296 -0.01382 -0.01103 0.04967 192 5PX -0.03711 0.08169 0.00327 -0.01045 -0.00270 193 5PY -0.04197 0.00314 -0.00767 -0.00267 0.00137 194 5PZ -0.01942 -0.00840 -0.00836 -0.00629 0.03234 21 22 23 24 25 21 8D+2 0.15199 22 8D-2 0.00068 0.15149 23 2 Cu 1S 0.00017 -0.00082 2.01007 24 2S 0.00816 -0.00273 0.01728 0.38394 25 3S 0.02641 0.00213 0.00410 0.18942 0.35044 26 4PX -0.00041 0.00043 0.00552 0.03291 -0.07841 27 4PY 0.00311 -0.00281 -0.00386 -0.02608 0.03549 28 4PZ -0.00384 -0.00082 -0.00259 -0.01436 0.04401 29 5PX -0.00984 -0.00521 -0.00091 -0.02157 -0.07080 30 5PY -0.00751 0.01042 -0.00127 0.01577 0.03951 31 5PZ 0.01953 0.00664 0.00121 0.01027 0.03742 32 6PX -0.00148 0.00121 0.00114 -0.00589 -0.02299 33 6PY 0.00935 -0.00284 0.00331 -0.03763 -0.00780 34 6PZ -0.00826 -0.00256 -0.00214 0.01943 0.02033 35 7D 0 -0.00696 0.00046 0.00086 0.02136 0.12790 36 7D+1 0.00338 0.00003 0.00080 0.03155 0.20948 37 7D-1 0.00494 -0.00495 -0.00231 -0.00158 0.04859 38 7D+2 -0.00163 -0.00094 -0.00152 0.00016 0.03567 39 7D-2 -0.00698 0.00189 0.00272 0.03391 0.15391 40 8D 0 -0.00095 0.00085 0.00068 0.00399 0.04199 41 8D+1 0.00121 -0.00068 0.00027 0.00585 0.06608 42 8D-1 0.00086 0.00008 -0.00090 -0.00154 0.01502 43 8D+2 -0.00111 -0.00005 -0.00023 -0.00096 0.01270 44 8D-2 -0.00222 -0.00068 0.00156 0.00707 0.05088 45 3 Cu 1S 0.00069 0.00068 -0.00116 -0.00066 0.00450 46 2S -0.01370 0.00789 -0.00343 0.22567 0.14158 47 3S -0.01492 0.03168 -0.00533 -0.06330 -0.11506 48 4PX -0.00224 -0.00283 -0.00282 -0.02751 -0.00349 49 4PY -0.00288 0.00064 0.00429 0.04318 0.02227 50 4PZ 0.00240 -0.00145 0.00040 0.00316 -0.00661 51 5PX 0.00482 -0.00397 0.00327 0.09297 -0.00296 52 5PY 0.01419 -0.00783 -0.00228 -0.09792 0.01310 53 5PZ -0.00773 0.01216 -0.00152 -0.02980 -0.00275 54 6PX -0.01461 -0.01197 -0.00820 0.09043 0.00029 55 6PY 0.00408 0.00894 0.01375 -0.05335 0.08159 56 6PZ 0.00938 0.00103 0.00063 -0.04588 -0.03292 57 7D 0 0.00582 -0.00049 0.00147 -0.03321 -0.08823 58 7D+1 -0.00617 -0.00352 -0.00167 -0.01496 -0.02989 59 7D-1 -0.00326 -0.00028 0.00151 0.03569 0.05589 60 7D+2 0.00230 0.00621 0.00363 0.00549 -0.02488 61 7D-2 0.00790 0.00434 0.00097 -0.07359 -0.16024 62 8D 0 0.00144 0.00060 -0.00035 -0.01235 -0.03117 63 8D+1 -0.00093 -0.00045 -0.00060 -0.00881 -0.01151 64 8D-1 -0.00109 -0.00146 0.00054 0.01141 0.01909 65 8D+2 -0.00013 0.00145 0.00045 0.00255 -0.00882 66 8D-2 0.00238 0.00041 -0.00090 -0.02636 -0.05641 67 4 Cu 1S 0.00073 0.00009 0.00129 -0.00099 -0.00536 68 2S -0.00188 -0.01858 -0.00031 -0.05153 0.02401 69 3S 0.01842 -0.03759 0.00281 -0.01229 -0.00249 70 4PX 0.00352 0.00229 0.00219 -0.01176 0.01764 71 4PY 0.00110 -0.00270 -0.00068 0.00917 -0.00275 72 4PZ -0.00016 0.00257 -0.00065 0.00700 -0.00628 73 5PX 0.00268 -0.01865 0.00176 0.03999 0.03154 74 5PY -0.00040 0.01329 -0.00193 -0.03022 -0.02375 75 5PZ 0.00457 -0.01183 0.00026 -0.01909 0.00014 76 6PX 0.01405 0.00743 0.00002 0.03892 0.02044 77 6PY 0.02536 0.00046 -0.00888 0.03320 -0.03748 78 6PZ 0.00152 0.00519 0.00027 0.00233 -0.00924 79 7D 0 0.00153 0.00218 0.00032 0.01800 0.09014 80 7D+1 0.00465 0.00435 0.00258 0.00972 0.05672 81 7D-1 0.00211 -0.00033 -0.00193 0.00627 -0.08035 82 7D+2 0.01252 0.00356 -0.00314 -0.05347 -0.00511 83 7D-2 -0.00010 -0.00417 0.00342 0.01683 0.06404 84 8D 0 0.00073 0.00045 -0.00004 0.00698 0.02976 85 8D+1 0.00133 0.00048 0.00087 0.00177 0.01868 86 8D-1 -0.00050 0.00045 -0.00080 0.00210 -0.02758 87 8D+2 0.00252 0.00086 -0.00062 -0.01785 -0.00137 88 8D-2 -0.00079 -0.00170 0.00103 0.00545 0.02150 89 5 Cu 1S 0.00026 -0.00007 0.00094 0.00058 -0.00379 90 2S 0.00093 0.00038 0.00062 -0.03562 0.01605 91 3S 0.00081 0.00216 -0.00378 0.01562 -0.02074 92 4PX -0.00115 -0.00121 0.00093 -0.00519 0.00356 93 4PY 0.00448 0.00127 -0.00048 -0.00184 -0.01729 94 4PZ 0.00060 0.00068 -0.00279 -0.00058 -0.01979 95 5PX 0.00112 0.00499 0.00002 0.01185 0.00555 96 5PY -0.00595 -0.00066 -0.00014 -0.00619 -0.00326 97 5PZ -0.00213 -0.00445 -0.00010 -0.02480 -0.00898 98 6PX -0.00288 -0.00228 0.00047 0.01655 0.02422 99 6PY 0.00891 0.00308 -0.00132 0.03417 0.01343 100 6PZ -0.00177 0.00013 -0.00044 -0.00631 -0.01355 101 7D 0 0.00219 0.00033 -0.00120 -0.03355 -0.02717 102 7D+1 0.00372 0.00126 0.00407 0.01951 0.20334 103 7D-1 -0.01093 -0.00329 0.00028 0.00783 0.02380 104 7D+2 -0.00096 0.00093 -0.00152 -0.00790 0.02439 105 7D-2 -0.00008 -0.00427 0.00022 -0.00626 0.11807 106 8D 0 -0.00003 0.00042 -0.00016 -0.01098 -0.00908 107 8D+1 0.00109 -0.00109 0.00135 0.00601 0.06776 108 8D-1 -0.00298 -0.00147 0.00013 0.00325 0.00793 109 8D+2 0.00022 0.00015 -0.00045 -0.00150 0.00914 110 8D-2 -0.00016 -0.00091 0.00001 -0.00136 0.03910 111 6 Cu 1S 0.00138 0.00071 0.00035 -0.00105 -0.00454 112 2S 0.02327 0.01208 -0.00024 -0.09565 0.01264 113 3S 0.00341 0.00190 0.00487 0.02388 0.01874 114 4PX -0.00022 0.00026 -0.00055 -0.01029 -0.01418 115 4PY -0.00090 -0.00035 0.00170 0.00418 0.02415 116 4PZ -0.00054 -0.00015 -0.00029 0.00588 -0.00055 117 5PX -0.00005 -0.00056 0.00099 0.04123 0.02338 118 5PY 0.00203 0.00090 -0.00236 -0.02570 -0.02103 119 5PZ 0.00009 -0.00003 0.00019 -0.02023 -0.00827 120 6PX 0.00415 -0.00293 -0.00460 0.01297 -0.03695 121 6PY 0.00394 0.00056 -0.00094 -0.02249 -0.01614 122 6PZ 0.00734 0.00257 0.00363 -0.00270 0.03156 123 7D 0 -0.00390 -0.00147 -0.00160 0.02112 -0.07035 124 7D+1 0.00107 -0.00140 -0.00048 0.00583 -0.09773 125 7D-1 -0.00181 -0.00161 0.00097 -0.01566 0.08577 126 7D+2 -0.00579 -0.00494 -0.00037 0.00385 0.06964 127 7D-2 -0.00402 0.00124 -0.00293 0.04234 -0.16290 128 8D 0 -0.00181 -0.00065 -0.00061 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-0.00918 -0.00294 -0.02216 -0.07265 149 7D-2 -0.00181 0.00610 -0.00073 -0.02931 0.04465 150 8D 0 -0.00004 -0.00049 0.00032 0.00556 0.05546 151 8D+1 -0.00005 -0.00161 0.00116 0.00311 0.04640 152 8D-1 -0.00011 -0.00024 0.00031 0.00123 0.01397 153 8D+2 -0.00186 -0.00240 -0.00084 -0.00620 -0.02387 154 8D-2 0.00035 0.00010 -0.00013 -0.00958 0.01489 155 8 Cu 1S 0.00121 0.00060 0.00128 -0.00095 -0.00517 156 2S -0.01194 -0.00362 -0.00027 -0.05057 0.02640 157 3S -0.01576 -0.00016 0.00270 -0.01318 -0.00704 158 4PX 0.00177 -0.00339 0.00159 -0.01351 0.01205 159 4PY -0.00410 -0.00227 -0.00105 0.00812 -0.00627 160 4PZ -0.00168 -0.00047 -0.00149 0.00463 -0.01311 161 5PX -0.00540 0.00498 0.00105 0.04169 0.01985 162 5PY 0.02063 0.00749 -0.00221 -0.02885 -0.02962 163 5PZ 0.00458 -0.00072 -0.00079 -0.01745 -0.01506 164 6PX 0.00445 -0.00438 0.00257 -0.00149 0.02520 165 6PY -0.01735 -0.00609 -0.00673 0.01926 -0.02443 166 6PZ -0.00634 -0.00436 0.00362 -0.05601 -0.00685 167 7D 0 0.00444 0.00106 0.00123 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8D+2 -0.00049 0.00117 0.00453 -0.00325 0.00647 154 8D-2 0.00404 -0.01361 -0.01584 0.00973 0.00269 155 8 Cu 1S -0.00004 0.00085 0.00123 0.00132 -0.00120 156 2S 0.01500 0.00136 0.03344 0.01721 -0.00927 157 3S 0.00043 0.00782 0.02889 0.01972 -0.04222 158 4PX 0.00115 -0.00795 -0.00877 0.00830 0.00060 159 4PY 0.00025 0.00261 -0.00291 -0.00155 -0.00006 160 4PZ -0.00488 -0.00457 -0.01155 -0.00119 0.00288 161 5PX 0.00283 -0.00212 -0.01118 0.01222 -0.01293 162 5PY -0.00752 0.00223 -0.00775 0.00107 0.01560 163 5PZ 0.00916 0.00336 0.00373 -0.00899 -0.00412 164 6PX 0.00465 0.00633 0.01025 -0.00110 0.00258 165 6PY -0.00715 -0.01651 -0.02331 0.00918 0.00145 166 6PZ 0.00568 0.01902 0.02847 0.00384 -0.04484 167 7D 0 -0.00094 -0.00463 -0.00468 0.00515 0.00548 168 7D+1 -0.00063 -0.00209 0.03796 -0.03997 -0.00477 169 7D-1 0.00501 0.00971 0.02584 -0.00352 -0.00005 170 7D+2 0.00077 0.00515 -0.02536 0.00299 0.00200 171 7D-2 0.00764 0.00076 0.04071 -0.03208 0.00576 172 8D 0 -0.00065 -0.00138 -0.00058 0.00172 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114 4PX -0.00088 -0.00040 0.00090 -0.00268 0.00073 115 4PY 0.00022 -0.00077 0.00131 0.00147 -0.00037 116 4PZ 0.00143 -0.00175 -0.00012 -0.00079 0.00022 117 5PX 0.00355 -0.01157 -0.02183 -0.00035 -0.00555 118 5PY -0.00615 0.01150 0.02727 0.01345 0.00316 119 5PZ 0.00064 0.00849 0.00762 0.00402 -0.00196 120 6PX -0.01050 -0.00507 -0.01977 0.03879 0.01038 121 6PY 0.00918 0.00611 -0.02029 0.00545 0.00306 122 6PZ -0.02023 0.03565 -0.02059 -0.02788 0.00257 123 7D 0 -0.00253 0.00311 -0.00023 -0.00295 0.00060 124 7D+1 0.00531 -0.00608 -0.00290 -0.00248 0.00047 125 7D-1 -0.00643 0.00730 0.00027 0.00514 -0.00061 126 7D+2 -0.00331 -0.00109 0.01290 -0.00423 -0.00012 127 7D-2 -0.00045 0.00449 -0.00231 -0.00197 -0.00042 128 8D 0 -0.00085 0.00207 0.00109 -0.00035 -0.00001 129 8D+1 0.00160 -0.00202 0.00031 -0.00030 0.00036 130 8D-1 -0.00276 0.00246 -0.00102 0.00130 -0.00024 131 8D+2 -0.00092 -0.00063 0.00448 -0.00243 -0.00020 132 8D-2 -0.00024 0.00294 0.00084 -0.00054 0.00036 133 7 Cu 1S -0.00141 -0.00025 -0.00314 -0.00199 0.00080 134 2S 0.00680 -0.00303 -0.03701 0.00256 0.00573 135 3S -0.03354 0.02428 -0.03924 -0.08924 0.07044 136 4PX -0.00097 -0.00055 -0.00330 -0.00112 0.00096 137 4PY 0.00052 0.00090 0.00028 -0.00059 -0.00075 138 4PZ -0.00118 -0.00039 0.00097 0.00073 0.00052 139 5PX -0.00233 0.00676 0.00304 -0.02431 0.01331 140 5PY -0.00827 -0.00240 0.00680 0.00844 0.00420 141 5PZ -0.00646 0.00572 0.00405 -0.00183 0.00235 142 6PX 0.04098 -0.01189 0.04955 -0.05383 0.01181 143 6PY -0.04355 0.00358 -0.02043 0.02700 -0.02069 144 6PZ 0.05010 0.02544 0.01713 -0.00495 0.00084 145 7D 0 -0.00669 -0.00016 0.00687 0.00235 -0.00220 146 7D+1 -0.00110 -0.00185 0.00190 0.00392 0.00142 147 7D-1 0.00184 -0.00067 0.00012 -0.00266 0.00051 148 7D+2 0.00312 -0.00206 -0.00824 -0.00526 0.00556 149 7D-2 0.00469 0.00059 -0.00790 0.00404 0.00285 150 8D 0 -0.00359 -0.00027 0.00520 0.00184 -0.00144 151 8D+1 -0.00203 -0.00057 0.00167 0.00122 0.00085 152 8D-1 -0.00031 -0.00009 0.00031 0.00014 0.00027 153 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-0.00010 0.00026 0.00237 111 6 Cu 1S -0.00061 -0.00168 -0.00070 0.00034 -0.00108 112 2S -0.00672 -0.02155 -0.00428 -0.00028 -0.09656 113 3S -0.01770 -0.07991 0.00555 0.00463 0.02172 114 4PX 0.00017 -0.00354 -0.00585 -0.00044 -0.00228 115 4PY 0.00010 -0.00040 0.00276 0.00166 0.00215 116 4PZ -0.00718 0.00022 0.00005 -0.00056 -0.01216 117 5PX -0.00228 0.01193 0.00916 0.00062 0.01103 118 5PY 0.00032 0.03181 -0.02305 -0.00221 -0.01781 119 5PZ 0.01993 0.00069 -0.00314 0.00107 0.04814 120 6PX 0.00018 -0.01942 -0.00159 -0.00042 0.00653 121 6PY 0.00231 0.00389 0.00468 -0.00197 -0.02017 122 6PZ -0.01211 -0.02161 0.00859 -0.00543 0.01596 123 7D 0 -0.00520 -0.00071 0.00294 0.00092 -0.01372 124 7D+1 -0.00334 0.00078 0.00134 0.00107 -0.01491 125 7D-1 0.00709 0.00055 0.00128 -0.00299 0.04334 126 7D+2 0.00277 -0.00205 0.00298 -0.00085 0.00994 127 7D-2 0.00044 0.01201 0.00589 -0.00089 0.01166 128 8D 0 -0.00250 -0.00011 0.00147 0.00021 -0.00367 129 8D+1 -0.00353 0.00019 0.00041 0.00037 -0.00528 130 8D-1 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-0.01121 0.02131 -0.00479 0.00327 173 8D+1 0.01882 -0.00030 0.00182 0.02276 0.01848 174 8D-1 -0.00227 0.02112 0.00747 0.01195 -0.02632 175 8D+2 -0.00017 -0.02273 -0.00179 0.00551 -0.04485 176 8D-2 0.01760 -0.00224 -0.00271 0.02524 -0.01703 177 9 C 1S 0.00169 -0.00414 0.00602 0.00066 0.00473 178 2S -0.00325 0.00550 -0.01516 0.00002 -0.01130 179 3S -0.00435 0.01414 -0.01003 -0.00255 -0.00920 180 4PX 0.01260 0.00096 0.00468 0.00403 0.00470 181 4PY -0.00061 0.00841 -0.00928 -0.00222 -0.01328 182 4PZ 0.00282 -0.00053 0.03088 0.00554 0.00094 183 5PX 0.00629 0.00025 0.00089 0.00190 -0.00025 184 5PY 0.00083 0.00529 0.00383 0.00065 -0.00097 185 5PZ 0.00174 -0.00041 0.01795 0.00496 -0.00959 186 10 O 1S -0.00109 0.00531 0.00017 0.00050 0.00085 187 2S 0.00252 -0.01162 0.00063 -0.00067 -0.00087 188 3S 0.00155 -0.00940 -0.00281 -0.00236 -0.00090 189 4PX -0.01111 -0.00083 -0.00296 -0.00770 0.00316 190 4PY -0.00028 -0.00740 0.00222 -0.00124 0.02185 191 4PZ -0.00236 -0.00050 -0.02781 -0.02050 0.05780 192 5PX -0.00727 -0.00097 -0.00114 -0.00379 0.00177 193 5PY -0.00115 -0.00367 -0.00274 -0.00212 0.00878 194 5PZ -0.00149 -0.00098 -0.01910 -0.01066 0.02952 166 167 168 169 170 166 6PZ 0.19177 167 7D 0 0.05022 1.49282 168 7D+1 -0.01844 0.00076 1.49267 169 7D-1 0.08242 0.00646 0.00387 1.48239 170 7D+2 0.02137 -0.01091 -0.00583 -0.00767 1.50167 171 7D-2 0.00600 -0.00609 0.00743 -0.00664 -0.00552 172 8D 0 0.02036 0.49155 0.00075 0.00282 -0.00188 173 8D+1 -0.00509 0.00122 0.48830 -0.00043 -0.00073 174 8D-1 0.02779 0.00133 -0.00113 0.49259 0.00213 175 8D+2 0.00695 -0.00264 -0.00132 0.00150 0.48844 176 8D-2 0.00198 -0.00118 0.00007 0.00085 -0.00130 177 9 C 1S 0.01020 -0.00340 0.00057 -0.00430 -0.00304 178 2S -0.01230 0.00698 -0.00100 0.00300 0.01276 179 3S -0.02949 0.00255 -0.00909 0.07078 -0.03429 180 4PX 0.01433 -0.00563 0.01091 0.00317 -0.00183 181 4PY -0.04302 0.00551 0.00015 0.01044 0.01004 182 4PZ 0.04388 -0.00852 -0.00700 0.01936 -0.00764 183 5PX 0.00238 -0.00066 -0.00194 -0.00613 0.00407 184 5PY 0.00096 0.01040 0.00172 0.02282 -0.02638 185 5PZ 0.02194 0.00635 -0.00163 0.00249 0.01887 186 10 O 1S 0.00672 0.00076 -0.00019 0.00122 0.00070 187 2S -0.00980 -0.00279 0.00017 -0.00325 -0.00116 188 3S -0.02411 0.00101 0.00315 -0.00890 -0.00544 189 4PX -0.01664 0.00519 -0.01159 -0.00285 -0.00034 190 4PY 0.03886 -0.00272 -0.00039 -0.01129 -0.00432 191 4PZ -0.06227 0.00828 0.00646 -0.01574 0.00658 192 5PX -0.00513 0.00144 -0.00533 -0.00027 -0.00003 193 5PY 0.00399 0.00056 0.00048 -0.00853 0.00199 194 5PZ -0.03296 0.00051 0.00325 -0.00904 -0.00184 171 172 173 174 175 171 7D-2 1.51158 172 8D 0 -0.00025 0.16230 173 8D+1 -0.00090 0.00065 0.15994 174 8D-1 0.00088 0.00069 -0.00093 0.16391 175 8D+2 -0.00156 -0.00042 -0.00005 0.00207 0.15912 176 8D-2 0.49192 0.00017 -0.00118 0.00126 -0.00040 177 9 C 1S -0.00206 -0.00082 0.00042 -0.00134 -0.00201 178 2S 0.00609 0.00124 -0.00091 0.00128 0.00564 179 3S -0.00316 -0.00037 -0.00361 0.02396 -0.01033 180 4PX 0.00000 -0.00158 0.00363 0.00077 -0.00069 181 4PY 0.00619 0.00143 -0.00023 0.00442 0.00300 182 4PZ -0.00027 -0.00166 -0.00194 0.00628 -0.00270 183 5PX 0.01120 -0.00006 -0.00090 -0.00216 0.00105 184 5PY -0.00548 0.00356 0.00047 0.00755 -0.00845 185 5PZ 0.00712 0.00278 -0.00028 0.00078 0.00612 186 10 O 1S 0.00051 0.00041 -0.00005 0.00043 0.00037 187 2S -0.00105 -0.00113 0.00005 -0.00115 -0.00061 188 3S -0.00382 0.00023 0.00109 -0.00281 -0.00241 189 4PX 0.00099 0.00157 -0.00424 -0.00071 -0.00014 190 4PY -0.00341 -0.00090 -0.00032 -0.00441 0.00011 191 4PZ 0.00011 0.00111 0.00172 -0.00495 0.00208 192 5PX -0.00364 0.00033 -0.00186 0.00001 0.00015 193 5PY -0.00126 0.00022 0.00012 -0.00288 0.00100 194 5PZ -0.00176 -0.00086 0.00078 -0.00291 -0.00057 176 177 178 179 180 176 8D-2 0.16043 177 9 C 1S -0.00110 2.09428 178 2S 0.00266 -0.19841 0.51302 179 3S -0.00052 -0.20380 0.39503 0.42653 180 4PX 0.00023 0.01202 -0.01813 -0.06725 0.37191 181 4PY 0.00212 -0.04940 0.07452 0.27673 -0.07333 182 4PZ -0.00023 0.01138 -0.01730 -0.06328 0.01690 183 5PX 0.00402 0.01159 -0.02164 -0.01745 0.06510 184 5PY -0.00160 -0.04751 0.08885 0.07195 0.01507 185 5PZ 0.00223 0.01095 -0.02048 -0.01642 -0.00346 186 10 O 1S 0.00024 0.01177 -0.01280 0.05331 -0.01668 187 2S -0.00046 -0.01845 0.01292 -0.12136 0.04138 188 3S -0.00152 0.01746 -0.08820 -0.12752 -0.00628 189 4PX -0.00055 0.02522 -0.06402 -0.00523 0.40321 190 4PY -0.00075 -0.10358 0.26311 0.02061 0.22917 191 4PZ 0.00018 0.02377 -0.06041 -0.00434 -0.05272 192 5PX -0.00171 0.00378 -0.00943 -0.00180 0.15322 193 5PY -0.00040 -0.01557 0.03883 0.00692 0.05541 194 5PZ -0.00046 0.00357 -0.00890 -0.00150 -0.01275 181 182 183 184 185 181 4PY 0.65533 182 4PZ -0.06933 0.37002 183 5PX 0.01499 -0.00344 0.02062 184 5PY 0.00723 0.01425 -0.00145 0.02638 185 5PZ 0.01412 0.06543 0.00033 -0.00136 0.02061 186 10 O 1S 0.06849 -0.01573 0.00127 -0.00525 0.00115 187 2S -0.16997 0.03905 0.00030 -0.00119 0.00040 188 3S 0.02591 -0.00598 0.00488 -0.01998 0.00470 189 4PX 0.22918 -0.05271 0.06219 -0.00140 0.00032 190 4PY -0.48251 0.21637 -0.00139 0.06746 -0.00139 191 4PZ 0.21639 0.40910 0.00029 -0.00130 0.06207 192 5PX 0.05542 -0.01275 0.01738 0.00156 -0.00036 193 5PY -0.06093 0.05228 0.00158 0.01123 0.00145 194 5PZ 0.05231 0.15466 -0.00037 0.00148 0.01739 186 187 188 189 190 186 10 O 1S 2.11844 187 2S -0.25809 0.60124 188 3S -0.25057 0.52596 0.54779 189 4PX -0.00895 0.01539 0.07379 0.84432 190 4PY 0.03677 -0.06327 -0.30301 -0.00140 0.84976 191 4PZ -0.00845 0.01455 0.06958 0.00036 -0.00131 192 5PX -0.00751 0.01813 0.02608 0.32878 0.03952 193 5PY 0.03084 -0.07448 -0.10709 0.03956 0.17603 194 5PZ -0.00708 0.01709 0.02457 -0.00907 0.03736 191 192 193 194 191 4PZ 0.84448 192 5PX -0.00904 0.13359 193 5PY 0.03727 0.02218 0.04797 194 5PZ 0.32996 -0.00508 0.02092 0.13426 Full Mulliken population analysis: 1 2 3 4 5 1 1 Cu 1S 1.99541 2 2S 0.00009 0.25534 3 3S 0.00909 -0.11434 0.68149 4 4PX 0.00000 0.00000 0.00000 2.00067 5 4PY 0.00000 0.00000 0.00000 0.00000 2.00947 6 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 7 5PX 0.00000 0.00000 0.00000 0.00210 0.00000 8 5PY 0.00000 0.00000 0.00000 0.00000 0.00066 9 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 6PX 0.00000 0.00000 0.00000 -0.00056 0.00000 11 6PY 0.00000 0.00000 0.00000 0.00000 -0.00040 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 -0.00009 -0.00057 0.00000 0.00000 24 2S -0.00012 0.03103 -0.04213 -0.00087 -0.00005 25 3S -0.00092 0.03918 -0.09728 -0.00048 -0.00003 26 4PX 0.00000 -0.00027 -0.00145 0.00000 0.00000 27 4PY 0.00000 0.00002 -0.00003 0.00000 0.00000 28 4PZ 0.00000 -0.00011 -0.00099 0.00000 0.00000 29 5PX -0.00035 0.01078 -0.01547 0.00001 -0.00001 30 5PY -0.00001 0.00005 -0.00052 0.00001 -0.00015 31 5PZ -0.00024 0.00661 -0.01066 -0.00023 -0.00001 32 6PX -0.00010 0.00132 -0.01290 -0.00001 0.00000 33 6PY -0.00001 -0.00110 -0.00027 0.00001 0.00007 34 6PZ -0.00008 -0.00245 -0.00862 0.00005 0.00000 35 7D 0 0.00000 0.00001 0.00001 0.00000 0.00000 36 7D+1 0.00000 0.00053 0.00067 0.00000 0.00000 37 7D-1 0.00000 0.00000 0.00003 0.00000 0.00000 38 7D+2 0.00000 0.00026 0.00019 0.00000 0.00000 39 7D-2 0.00000 0.00003 0.00003 0.00000 0.00000 40 8D 0 0.00000 0.00005 0.00005 -0.00003 0.00000 41 8D+1 0.00002 0.00231 0.00325 -0.00012 -0.00001 42 8D-1 0.00000 0.00002 0.00013 0.00000 -0.00001 43 8D+2 0.00001 0.00106 0.00094 -0.00002 -0.00001 44 8D-2 0.00000 0.00010 0.00018 0.00000 -0.00002 45 3 Cu 1S 0.00000 -0.00022 -0.00012 0.00000 0.00000 46 2S -0.00014 0.01795 -0.03365 -0.00012 -0.00061 47 3S -0.00028 -0.00913 -0.06985 -0.00003 0.00003 48 4PX 0.00000 0.00001 -0.00010 0.00000 0.00000 49 4PY 0.00000 -0.00054 -0.00035 0.00000 0.00000 50 4PZ 0.00000 -0.00011 -0.00026 0.00000 0.00000 51 5PX -0.00004 -0.00121 0.00040 -0.00012 0.00001 52 5PY -0.00047 0.01720 -0.02694 -0.00002 -0.00038 53 5PZ -0.00018 0.00237 -0.00616 -0.00001 -0.00025 54 6PX -0.00004 0.00200 -0.00116 0.00026 0.00001 55 6PY 0.00002 -0.00464 -0.01225 0.00007 -0.00002 56 6PZ -0.00007 0.00191 -0.00509 -0.00001 0.00004 57 7D 0 0.00000 0.00001 0.00002 0.00000 0.00000 58 7D+1 0.00000 0.00001 0.00006 0.00000 0.00000 59 7D-1 0.00000 0.00031 0.00042 0.00000 0.00000 60 7D+2 0.00000 0.00019 0.00024 0.00000 0.00000 61 7D-2 0.00000 0.00006 0.00004 0.00000 0.00000 62 8D 0 0.00000 0.00004 0.00009 0.00000 0.00000 63 8D+1 0.00000 0.00007 0.00027 0.00000 -0.00001 64 8D-1 -0.00001 0.00129 0.00205 -0.00001 -0.00008 65 8D+2 0.00000 0.00080 0.00117 -0.00001 -0.00002 66 8D-2 0.00000 0.00024 0.00021 0.00000 -0.00002 67 4 Cu 1S 0.00000 -0.00022 -0.00011 0.00000 0.00000 68 2S -0.00014 0.01788 -0.03320 -0.00063 -0.00027 69 3S -0.00028 -0.00918 -0.06976 -0.00007 0.00005 70 4PX 0.00000 -0.00019 -0.00046 0.00000 0.00000 71 4PY 0.00000 -0.00038 -0.00012 0.00000 0.00000 72 4PZ 0.00000 -0.00007 -0.00012 0.00000 0.00000 73 5PX -0.00032 0.00348 -0.01020 0.00004 -0.00028 74 5PY -0.00028 0.01312 -0.01881 -0.00035 -0.00008 75 5PZ -0.00010 0.00169 -0.00369 -0.00007 -0.00010 76 6PX -0.00012 0.00383 -0.00877 0.00004 0.00006 77 6PY 0.00006 -0.00515 -0.00734 0.00024 0.00007 78 6PZ -0.00002 0.00073 -0.00255 0.00001 0.00001 79 7D 0 0.00000 0.00005 0.00010 0.00000 0.00000 80 7D+1 0.00000 0.00010 0.00018 0.00000 0.00000 81 7D-1 0.00000 0.00010 0.00013 0.00000 0.00000 82 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 83 7D-2 0.00000 0.00034 0.00037 0.00000 0.00000 84 8D 0 0.00000 0.00021 0.00050 0.00000 0.00000 85 8D+1 0.00000 0.00041 0.00086 -0.00001 -0.00002 86 8D-1 0.00000 0.00043 0.00065 -0.00003 -0.00001 87 8D+2 0.00000 -0.00001 -0.00002 0.00000 -0.00001 88 8D-2 0.00000 0.00138 0.00179 -0.00005 -0.00003 89 5 Cu 1S 0.00000 -0.00009 -0.00058 0.00000 0.00000 90 2S -0.00012 0.03095 -0.04408 0.00000 -0.00024 91 3S -0.00090 0.03902 -0.09817 0.00000 -0.00013 92 4PX 0.00000 -0.00001 -0.00001 0.00000 0.00000 93 4PY 0.00000 0.00004 -0.00023 0.00000 0.00000 94 4PZ 0.00000 -0.00039 -0.00226 0.00000 0.00000 95 5PX 0.00000 0.00014 -0.00011 -0.00019 0.00000 96 5PY -0.00006 0.00102 -0.00287 0.00000 -0.00010 97 5PZ -0.00053 0.01625 -0.02356 -0.00001 -0.00009 98 6PX 0.00000 0.00025 -0.00011 0.00002 0.00000 99 6PY -0.00003 -0.00359 -0.00182 0.00000 0.00003 100 6PZ -0.00016 0.00075 -0.01936 0.00000 0.00000 101 7D 0 0.00000 0.00061 0.00062 0.00000 0.00000 102 7D+1 0.00000 0.00001 0.00001 0.00000 0.00000 103 7D-1 0.00000 0.00021 0.00028 0.00000 0.00000 104 7D+2 0.00000 -0.00001 0.00001 0.00000 0.00000 105 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 106 8D 0 0.00002 0.00263 0.00296 0.00000 -0.00006 107 8D+1 0.00000 0.00004 0.00004 -0.00004 0.00000 108 8D-1 0.00001 0.00085 0.00141 0.00000 0.00000 109 8D+2 0.00000 -0.00001 0.00005 0.00000 0.00000 110 8D-2 0.00000 0.00001 0.00001 0.00000 0.00000 111 6 Cu 1S 0.00000 0.00000 0.00005 0.00000 0.00000 112 2S 0.00000 -0.00213 0.00407 0.00000 0.00001 113 3S 0.00005 -0.00317 0.01261 0.00000 0.00005 114 4PX 0.00000 0.00000 0.00001 0.00000 0.00000 115 4PY 0.00000 0.00000 0.00010 0.00000 0.00000 116 4PZ 0.00000 0.00000 0.00001 0.00000 0.00000 117 5PX 0.00000 0.00005 -0.00040 0.00000 0.00000 118 5PY 0.00000 0.00088 -0.00660 0.00000 0.00000 119 5PZ 0.00000 0.00004 -0.00035 0.00000 0.00000 120 6PX 0.00000 0.00049 0.00084 0.00004 0.00000 121 6PY 0.00001 0.00882 0.01389 0.00000 -0.00008 122 6PZ 0.00000 0.00038 0.00075 0.00000 0.00000 123 7D 0 0.00000 0.00000 -0.00005 0.00000 0.00000 124 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 125 7D-1 0.00000 0.00000 -0.00003 0.00000 0.00000 126 7D+2 0.00000 0.00000 -0.00014 0.00000 0.00000 127 7D-2 0.00000 0.00000 -0.00004 0.00000 0.00000 128 8D 0 0.00000 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-0.03506 -0.07274 -0.00063 189 4PX 0.00000 -0.00028 0.00406 0.00021 0.05447 190 4PY 0.00000 -0.00473 0.06849 0.00347 0.02349 191 4PZ 0.00000 -0.00025 0.00361 0.00017 0.00124 192 5PX 0.00000 -0.00014 0.00133 0.00022 0.05411 193 5PY 0.00000 -0.00239 0.02248 0.00355 0.00656 194 5PZ 0.00000 -0.00013 0.00118 0.00018 0.00035 181 182 183 184 185 181 4PY 0.65533 182 4PZ 0.00000 0.37002 183 5PX 0.00000 0.00000 0.02062 184 5PY 0.00390 0.00000 0.00000 0.02638 185 5PZ 0.00000 0.03525 0.00000 0.00000 0.02061 186 10 O 1S -0.00456 -0.00024 0.00002 0.00041 0.00002 187 2S 0.05912 0.00312 0.00003 0.00046 0.00004 188 3S -0.01062 -0.00056 0.00070 0.01168 0.00063 189 4PX 0.02349 0.00124 0.01068 -0.00006 0.00000 190 4PY 0.12592 0.02093 -0.00005 0.00134 -0.00005 191 4PZ 0.02094 0.05638 0.00000 -0.00005 0.01072 192 5PX 0.00656 0.00035 0.01026 0.00015 0.00001 193 5PY 0.00635 0.00584 0.00016 0.00234 0.00014 194 5PZ 0.00585 0.05510 0.00001 0.00014 0.01032 186 187 188 189 190 186 10 O 1S 2.11844 187 2S -0.07045 0.60124 188 3S -0.04591 0.41586 0.54779 189 4PX 0.00000 0.00000 0.00000 0.84432 190 4PY 0.00000 0.00000 0.00000 0.00000 0.84976 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.16636 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.08907 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 191 4PZ 0.84448 192 5PX 0.00000 0.13359 193 5PY 0.00000 0.00000 0.04797 194 5PZ 0.16696 0.00000 0.00000 0.13426 Gross orbital populations: 1 1 1 Cu 1S 1.99753 2 2S 0.58745 3 3S -0.60357 4 4PX 1.99532 5 4PY 1.99581 6 4PZ 1.99531 7 5PX 0.36802 8 5PY 0.36631 9 5PZ 0.37191 10 6PX -0.25257 11 6PY 0.09144 12 6PZ -0.26345 13 7D 0 1.65603 14 7D+1 1.66398 15 7D-1 1.60818 16 7D+2 1.62995 17 7D-2 1.61284 18 8D 0 0.30414 19 8D+1 0.30432 20 8D-1 0.31061 21 8D+2 0.30197 22 8D-2 0.31100 23 2 Cu 1S 2.00489 24 2S 0.71133 25 3S 0.36855 26 4PX 1.99433 27 4PY 1.99430 28 4PZ 1.99464 29 5PX 0.05319 30 5PY 0.03537 31 5PZ 0.04185 32 6PX 0.02861 33 6PY -0.03377 34 6PZ 0.00304 35 7D 0 1.65601 36 7D+1 1.64802 37 7D-1 1.65887 38 7D+2 1.64242 39 7D-2 1.64564 40 8D 0 0.32413 41 8D+1 0.32497 42 8D-1 0.32479 43 8D+2 0.32753 44 8D-2 0.32757 45 3 Cu 1S 2.00405 46 2S 0.63700 47 3S -0.05167 48 4PX 1.99474 49 4PY 1.99482 50 4PZ 1.99463 51 5PX 0.19965 52 5PY 0.23552 53 5PZ 0.10452 54 6PX 0.12847 55 6PY 0.04324 56 6PZ 0.04703 57 7D 0 1.64972 58 7D+1 1.65547 59 7D-1 1.64805 60 7D+2 1.63550 61 7D-2 1.63947 62 8D 0 0.31803 63 8D+1 0.31957 64 8D-1 0.31836 65 8D+2 0.32215 66 8D-2 0.32252 67 4 Cu 1S 2.00406 68 2S 0.63659 69 3S -0.05087 70 4PX 1.99445 71 4PY 1.99498 72 4PZ 1.99475 73 5PX 0.12689 74 5PY 0.31827 75 5PZ 0.09360 76 6PX 0.08935 77 6PY 0.10560 78 6PZ 0.02125 79 7D 0 1.65643 80 7D+1 1.65665 81 7D-1 1.64678 82 7D+2 1.63284 83 7D-2 1.63564 84 8D 0 0.31787 85 8D+1 0.31637 86 8D-1 0.32073 87 8D+2 0.32401 88 8D-2 0.32163 89 5 Cu 1S 2.00489 90 2S 0.71112 91 3S 0.36801 92 4PX 1.99496 93 4PY 1.99429 94 4PZ 1.99402 95 5PX 0.03094 96 5PY 0.03564 97 5PZ 0.06387 98 6PX 0.02618 99 6PY -0.05157 100 6PZ 0.02300 101 7D 0 1.63654 102 7D+1 1.65719 103 7D-1 1.64010 104 7D+2 1.65861 105 7D-2 1.65853 106 8D 0 0.32774 107 8D+1 0.32405 108 8D-1 0.32793 109 8D+2 0.32431 110 8D-2 0.32494 111 6 Cu 1S 2.00544 112 2S 0.75288 113 3S 0.12332 114 4PX 1.99476 115 4PY 1.99446 116 4PZ 1.99476 117 5PX 0.04533 118 5PY 0.05468 119 5PZ 0.04528 120 6PX 0.01750 121 6PY 0.04359 122 6PZ 0.01900 123 7D 0 1.65022 124 7D+1 1.66243 125 7D-1 1.64097 126 7D+2 1.64928 127 7D-2 1.63095 128 8D 0 0.32229 129 8D+1 0.32196 130 8D-1 0.32474 131 8D+2 0.32425 132 8D-2 0.32420 133 7 Cu 1S 2.00489 134 2S 0.71135 135 3S 0.36957 136 4PX 1.99427 137 4PY 1.99414 138 4PZ 1.99487 139 5PX 0.05495 140 5PY 0.04147 141 5PZ 0.03422 142 6PX -0.01221 143 6PY -0.00389 144 6PZ 0.01444 145 7D 0 1.65894 146 7D+1 1.65833 147 7D-1 1.65508 148 7D+2 1.63109 149 7D-2 1.64751 150 8D 0 0.32366 151 8D+1 0.32281 152 8D-1 0.32612 153 8D+2 0.32907 154 8D-2 0.32730 155 8 Cu 1S 2.00405 156 2S 0.63699 157 3S -0.05173 158 4PX 1.99485 159 4PY 1.99469 160 4PZ 1.99464 161 5PX 0.10591 162 5PY 0.20210 163 5PZ 0.23207 164 6PX 0.01920 165 6PY 0.01950 166 6PZ 0.17833 167 7D 0 1.64234 168 7D+1 1.64204 169 7D-1 1.63291 170 7D+2 1.65055 171 7D-2 1.66038 172 8D 0 0.32245 173 8D+1 0.31972 174 8D-1 0.32291 175 8D+2 0.31808 176 8D-2 0.31752 177 9 C 1S 1.99858 178 2S 0.88808 179 3S 0.64254 180 4PX 0.57779 181 4PY 0.92151 182 4PZ 0.57556 183 5PX 0.11056 184 5PY 0.05075 185 5PZ 0.11111 186 10 O 1S 1.99922 187 2S 0.98736 188 3S 0.84621 189 4PX 1.10367 190 4PY 1.16972 191 4PZ 1.10342 192 5PX 0.36741 193 5PY 0.17517 194 5PZ 0.36879 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.829611 -0.235748 -0.327182 -0.325285 -0.238021 0.040133 2 Cu -0.235748 19.015530 0.088743 0.057870 0.032410 0.016192 3 Cu -0.327182 0.088743 19.370630 -0.060067 0.056220 0.021225 4 Cu -0.325285 0.057870 -0.060067 19.365878 0.055155 0.021824 5 Cu -0.238021 0.032410 0.056220 0.055155 19.017861 0.015819 6 Cu 0.040133 0.016192 0.021225 0.021824 0.015819 18.795506 7 Cu -0.235204 0.034730 0.056524 0.087874 0.033363 0.016334 8 Cu -0.328316 0.054426 -0.059261 -0.059288 0.089464 0.019109 9 C 0.103999 0.027242 0.016537 0.016449 0.028126 -0.003942 10 O 0.068545 -0.015118 -0.002547 -0.002555 -0.015109 0.000087 7 8 9 10 1 Cu -0.235204 -0.328316 0.103999 0.068545 2 Cu 0.034730 0.054426 0.027242 -0.015118 3 Cu 0.056524 -0.059261 0.016537 -0.002547 4 Cu 0.087874 -0.059288 0.016449 -0.002555 5 Cu 0.033363 0.089464 0.028126 -0.015109 6 Cu 0.016334 0.019109 -0.003942 0.000087 7 Cu 19.015904 0.056470 0.027191 -0.015221 8 Cu 0.056470 19.372542 0.017058 -0.002676 9 C 0.027191 0.017058 5.103882 0.539934 10 O -0.015221 -0.002676 0.539934 7.565630 Mulliken atomic charges: 1 1 Cu 0.647469 2 Cu -0.076277 3 Cu -0.160822 4 Cu -0.157855 5 Cu -0.075289 6 Cu 0.057713 7 Cu -0.077965 8 Cu -0.159528 9 C 0.123524 10 O -0.120969 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.647469 2 Cu -0.076277 3 Cu -0.160822 4 Cu -0.157855 5 Cu -0.075289 6 Cu 0.057713 7 Cu -0.077965 8 Cu -0.159528 9 C 0.123524 10 O -0.120969 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.049286 2 Cu -0.062943 3 Cu 0.073128 4 Cu 0.073529 5 Cu -0.062593 6 Cu -0.091517 7 Cu -0.063505 8 Cu 0.072265 9 C 0.787190 10 O -0.774839 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.049286 2 Cu -0.062943 3 Cu 0.073128 4 Cu 0.073529 5 Cu -0.062593 6 Cu -0.091517 7 Cu -0.063505 8 Cu 0.072265 9 C 0.787190 10 O -0.774839 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4274.4879 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.1595 Y= 0.6401 Z= -0.1522 Tot= 0.6770 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.6860 YY= -113.4916 ZZ= -113.5668 XY= -0.2173 XZ= 0.0293 YZ= 0.0204 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.1045 YY= 0.0899 ZZ= 0.0147 XY= -0.2173 XZ= 0.0293 YZ= 0.0204 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 24.0157 YYY= 332.3590 ZZZ= -24.1269 XYY= -9.8665 XXY= 87.7798 XXZ= -21.5999 XZZ= 12.3397 YZZ= 92.5603 YYZ= -27.6932 XYZ= 2.6931 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1201.8018 YYYY= -2969.0670 ZZZZ= -1184.0067 XXXY= 109.5404 XXXZ= -35.1591 YYYX= 193.8892 YYYZ= 227.1084 ZZZX= -17.6993 ZZZY= 123.9920 XXYY= -626.8937 XXZZ= -406.3201 YYZZ= -656.9395 XXYZ= 69.8242 YYXZ= -19.2901 ZZXY= 28.4805 N-N= 2.026201587575D+03 E-N=-8.163362211666D+03 KE= 1.132410836317D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.25759 29.12420 2 O -10.34264 15.96926 3 O -4.33863 2.68672 4 O -4.29930 2.68504 5 O -4.29905 2.68861 6 O -4.29895 2.68882 7 O -4.29158 2.68799 8 O -4.27393 2.68748 9 O -4.27376 2.68748 10 O -4.27375 2.68748 11 O -2.84997 5.08100 12 O -2.84231 5.08601 13 O -2.84226 5.08612 14 O -2.80919 5.06267 15 O -2.80784 5.08724 16 O -2.80774 5.08697 17 O -2.80668 5.07916 18 O -2.80627 5.08697 19 O -2.80617 5.08696 20 O -2.80462 5.08780 21 O -2.80451 5.08735 22 O -2.80398 5.09644 23 O -2.80123 5.08928 24 O -2.79737 5.09018 25 O -2.79737 5.09017 26 O -2.78367 5.08558 27 O -2.78351 5.08551 28 O -2.78349 5.08567 29 O -2.78163 5.08733 30 O -2.78146 5.08740 31 O -2.78144 5.08731 32 O -2.77881 5.09074 33 O -2.77865 5.09058 34 O -2.77863 5.09109 35 O -1.17386 2.84795 36 O -0.57789 2.48669 37 O -0.47216 2.01403 38 O -0.47212 2.01432 39 O -0.46624 2.33163 40 O -0.35044 3.24718 41 O -0.32759 8.20528 42 O -0.32756 8.20695 43 O -0.32535 7.08501 44 O -0.32131 8.74340 45 O -0.32126 8.74345 46 O -0.31797 6.95631 47 O -0.30627 8.28338 48 O -0.30607 8.28873 49 O -0.30086 8.47489 50 O -0.29870 8.84035 51 O -0.29868 8.83861 52 O -0.28733 8.67666 53 O -0.28726 8.67181 54 O -0.28428 7.53295 55 O -0.27714 9.14434 56 O -0.27669 8.97857 57 O -0.27656 8.97938 58 O -0.27108 9.21581 59 O -0.27097 9.21474 60 O -0.26925 8.94586 61 O -0.26784 9.34245 62 O -0.26779 9.34292 63 O -0.26668 9.20573 64 O -0.26666 9.20527 65 O -0.26101 9.44550 66 O -0.25591 9.16243 67 O -0.25590 9.16467 68 O -0.25345 9.31521 69 O -0.25241 8.81281 70 O -0.25175 8.89743 71 O -0.25101 9.39225 72 O -0.25094 9.38897 73 O -0.25053 9.47211 74 O -0.25042 9.46766 75 O -0.24888 9.32683 76 O -0.24876 9.35430 77 O -0.24866 8.89544 78 O -0.24563 9.70201 79 O -0.24195 9.58499 80 O -0.24183 9.58819 81 O -0.20052 1.99685 82 O -0.19998 1.98068 83 O -0.19815 2.52384 84 V -0.09017 0.97677 85 V -0.08917 1.60156 86 V -0.08892 1.59833 87 V -0.06385 1.16563 88 V -0.06338 1.16105 89 V -0.04242 1.00865 90 V -0.02217 0.39409 91 V -0.01978 0.88865 92 V -0.01941 0.89459 93 V -0.00872 0.45003 94 V -0.00857 0.44461 95 V 0.01949 0.48037 96 V 0.01964 0.48282 97 V 0.02592 0.37534 98 V 0.02707 0.30882 99 V 0.03348 0.46501 100 V 0.03850 0.37723 101 V 0.03855 0.37772 102 V 0.04170 0.36071 103 V 0.04187 0.35912 104 V 0.04860 0.52888 105 V 0.05465 0.43236 106 V 0.05741 0.43549 107 V 0.05766 0.43789 108 V 0.06813 0.40687 109 V 0.06844 0.40396 110 V 0.07373 0.24580 111 V 0.07380 0.24643 112 V 0.07714 0.31870 113 V 0.08134 0.32644 114 V 0.08266 0.22065 115 V 0.09228 0.52921 116 V 0.09234 0.53240 117 V 0.11232 0.46490 118 V 0.11381 0.99865 119 V 0.11951 0.56008 120 V 0.11958 0.56095 121 V 0.12456 0.59286 122 V 0.12493 0.58871 123 V 0.14508 0.47196 124 V 0.14600 0.47277 125 V 0.17272 0.88855 126 V 0.17291 0.89089 127 V 0.18796 1.43023 128 V 0.21806 1.02667 129 V 0.23868 1.30762 130 V 0.25642 1.56324 131 V 0.25735 1.45473 132 V 0.25835 0.97032 133 V 0.29422 1.13828 134 V 0.29461 1.13521 135 V 0.30284 1.33285 136 V 0.30327 1.39668 137 V 0.30450 1.45665 138 V 0.32190 1.70363 139 V 0.40185 1.49833 140 V 0.40213 1.50134 141 V 0.55001 2.93310 142 V 0.61387 4.51940 143 V 0.63276 4.27487 144 V 0.63371 4.26245 145 V 0.66867 2.57864 146 V 0.69228 4.35263 147 V 0.69362 4.35280 148 V 0.70538 3.85078 149 V 0.71037 3.98548 150 V 0.71154 3.99737 151 V 0.76904 3.45319 152 V 0.76961 3.45534 153 V 0.77082 4.46206 154 V 0.81594 4.68387 155 V 0.81609 4.68479 156 V 0.81756 3.94918 157 V 0.82590 4.39717 158 V 0.83651 4.20702 159 V 0.83936 4.19777 160 V 0.87184 4.21413 161 V 0.87197 4.21957 162 V 0.88261 3.90253 163 V 0.91797 3.99540 164 V 0.95976 4.16943 165 V 0.96007 4.17019 166 V 0.97255 4.27549 167 V 0.97361 4.26923 168 V 1.01136 4.19472 169 V 1.04197 4.37743 170 V 1.06311 4.38769 171 V 1.06625 4.38919 172 V 1.08916 4.49090 173 V 1.09009 4.48969 174 V 1.12217 4.57376 175 V 1.12337 4.56962 176 V 1.13675 4.50789 177 V 1.15275 3.65866 178 V 1.25134 4.58193 179 V 1.25441 4.59003 180 V 1.29930 4.61786 181 V 1.30397 4.63376 182 V 1.30564 4.63428 183 V 1.33886 4.60388 184 V 1.33925 4.60802 185 V 1.34902 4.15835 186 V 1.50905 2.90040 187 V 1.66033 3.92513 188 V 2.03182 2.00276 189 V 2.21981 2.17133 190 V 2.22373 2.17035 191 V 2.75159 1.39238 192 V 2.76346 1.40675 193 V 3.56793 1.76218 194 V 10.43626 2.80499 Total kinetic energy from orbitals= 1.132410836317D+03 Exact polarizability: 283.326 -16.692 348.032 3.649 -15.083 283.765 Approx polarizability: 575.373 -58.110 800.224 12.865 -52.808 575.726 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 13:44:39 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= 15079. LDataN: DoStor=F MaxTD1= 6 Len= 172 LDataN: DoStor=T MaxTD1= 6 Len= 172 Leave Link 701 at Fri Apr 11 13:44:55 2008, MaxMem= 1258291200 cpu: 58.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l702.exe) L702 exits ... SP integral derivatives will be done elsewhere. Leave Link 702 at Fri Apr 11 13:44:56 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 Fri Apr 11 13:47:57 2008, MaxMem= 1258291200 cpu: 717.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole =-6.27533913D-02 2.51834975D-01-5.98797472D-02 Polarizability= 2.83326487D+02-1.66923022D+01 3.48032107D+02 3.64867358D+00-1.50829104D+01 2.83765342D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000039288 -0.000030999 0.000041793 2 29 -0.000001157 0.000008324 -0.000019517 3 29 -0.000043011 0.000035397 0.000020001 4 29 0.000008044 0.000034901 0.000006094 5 29 0.000013114 0.000015180 -0.000006170 6 29 -0.000002708 -0.000068131 0.000001143 7 29 -0.000007345 -0.000008717 0.000011728 8 29 -0.000014652 0.000020700 -0.000045938 9 6 -0.000003082 -0.000030941 -0.000013933 10 8 0.000011510 0.000024285 0.000004799 ------------------------------------------------------------------- Cartesian Forces: Max 0.000068131 RMS 0.000025524 Force constants in Cartesian coordinates: 1 2 3 4 5 1 0.438256D-01 2 -0.143474D-01 0.990592D-01 3 0.327155D-02 -0.133304D-01 0.438577D-01 4 -0.134199D-01 -0.213760D-02 0.105060D-01 0.320536D-01 5 0.147489D-03 0.614025D-03 -0.609204D-03 -0.223806D-01 0.344708D-01 6 0.953384D-02 0.104588D-02 -0.832672D-02 -0.146354D-01 0.310253D-02 7 0.187400D-02 -0.375594D-02 -0.608254D-03 -0.161906D-01 0.218208D-01 8 -0.301474D-02 -0.998622D-02 0.587339D-02 0.248298D-01 -0.333013D-01 9 -0.956370D-03 0.637537D-02 -0.295019D-02 0.271660D-02 -0.264404D-02 10 -0.362931D-02 0.837594D-02 -0.208090D-02 -0.415745D-03 0.277458D-03 11 0.748970D-02 -0.494215D-02 0.372678D-02 0.231229D-03 -0.979731D-03 12 -0.194038D-02 0.414187D-02 -0.235824D-02 0.415586D-04 -0.405868D-03 13 -0.830333D-03 -0.941847D-03 -0.206732D-02 -0.268787D-04 -0.631762D-04 14 -0.508550D-03 -0.444098D-03 -0.345273D-02 -0.339199D-03 -0.831692D-04 15 -0.142689D-02 -0.627430D-02 -0.200301D-01 -0.158814D-03 -0.353465D-03 16 -0.128965D-02 -0.121696D-03 0.292190D-04 -0.245671D-03 0.534101D-03 17 -0.120416D-03 -0.817262D-03 -0.110948D-03 -0.111348D-03 0.363543D-03 18 0.293782D-04 -0.117169D-03 -0.130393D-02 0.190936D-03 -0.576797D-03 19 -0.166609D-01 -0.460717D-02 -0.676178D-02 -0.491082D-03 -0.978787D-04 20 -0.730194D-02 -0.135172D-02 -0.321739D-02 -0.138753D-03 0.168606D-03 21 -0.640388D-02 -0.201983D-02 -0.330584D-02 0.458878D-03 0.287719D-03 22 -0.122693D-02 0.165397D-02 0.131976D-02 -0.330143D-03 0.770486D-03 23 0.180086D-02 -0.123796D-01 -0.378658D-02 0.405663D-03 -0.645452D-03 24 0.152691D-02 -0.469595D-02 0.258806D-02 -0.224830D-03 0.921919D-05 25 -0.124557D-01 0.128564D-01 -0.291452D-02 -0.149259D-02 -0.277328D-02 26 0.128400D-01 -0.619493D-01 0.120684D-01 0.324471D-03 0.288403D-02 27 -0.295277D-02 0.120708D-01 -0.120588D-01 0.130967D-02 0.111053D-02 28 0.381315D-02 0.302542D-02 -0.693778D-03 0.559062D-03 0.176457D-02 29 0.301501D-02 -0.780284D-02 0.283872D-02 -0.683662D-03 -0.349137D-02 30 -0.681381D-03 0.280373D-02 0.388804D-02 -0.204646D-03 0.793705D-04 6 7 8 9 10 6 0.107017D-01 7 0.396148D-02 0.520294D-01 8 -0.488634D-02 -0.269170D-01 0.552364D-01 9 -0.550512D-03 -0.197124D-01 0.264612D-02 0.259619D-01 10 -0.214447D-03 -0.241780D-01 -0.528383D-02 0.556466D-02 0.411771D-01 11 -0.158804D-03 -0.663084D-02 0.345788D-02 0.188403D-02 0.197513D-01 12 0.371153D-04 0.203297D-02 0.904003D-03 0.106083D-02 0.109979D-01 13 0.646496D-03 -0.467713D-03 0.341354D-03 0.331026D-04 -0.250488D-03 14 0.728479D-04 0.505196D-03 -0.544525D-03 0.628605D-03 -0.171234D-03 15 -0.391950D-03 -0.119057D-03 0.330604D-03 -0.333936D-03 -0.349300D-04 16 -0.709984D-04 -0.100823D-01 0.103420D-01 0.278642D-02 -0.212687D-02 17 -0.822343D-04 0.142784D-01 -0.158450D-01 -0.464552D-02 -0.929058D-02 18 0.428252D-04 0.116442D-02 -0.167039D-02 -0.984764D-03 0.481178D-03 19 -0.436608D-03 -0.171668D-03 0.761736D-04 0.193779D-03 -0.231316D-02 20 0.102860D-03 -0.602374D-04 -0.107610D-02 -0.307861D-03 -0.826329D-02 21 -0.167321D-03 0.310426D-03 -0.231531D-04 -0.737473D-04 -0.581607D-03 22 -0.144697D-03 -0.185961D-02 -0.500101D-03 0.901135D-02 -0.745892D-02 23 0.885707D-04 0.135161D-03 0.314233D-02 -0.376453D-02 -0.486472D-02 24 -0.368862D-03 0.128347D-01 -0.334525D-02 -0.215311D-01 -0.140399D-01 25 0.257616D-02 -0.202493D-02 0.799927D-03 0.737249D-03 -0.137058D-02 26 -0.119158D-02 0.125590D-02 -0.157750D-02 -0.529980D-03 -0.127437D-02 27 -0.993126D-03 0.512321D-03 -0.222707D-03 -0.939381D-03 -0.159742D-03 28 -0.121585D-02 0.107148D-02 -0.673541D-03 -0.374436D-03 0.565984D-03 29 0.190627D-02 -0.631463D-03 0.494051D-03 0.357794D-03 0.743313D-03 30 0.168952D-04 -0.376669D-03 0.393724D-03 0.340897D-03 0.677858D-04 11 12 13 14 15 11 0.745544D-01 12 0.186815D-02 0.157982D-01 13 -0.923762D-04 -0.271067D-03 0.390836D-02 14 -0.781053D-03 0.659048D-03 -0.855372D-02 0.295334D-01 15 0.410626D-03 -0.271941D-03 0.975166D-02 -0.177186D-01 0.440698D-01 16 -0.457570D-02 -0.807356D-04 -0.409395D-04 -0.219719D-04 -0.306475D-05 17 -0.241947D-01 -0.131483D-02 -0.140382D-03 0.512458D-03 -0.153573D-03 18 0.748456D-03 -0.658813D-03 -0.182384D-03 0.676793D-03 -0.302038D-03 19 -0.118598D-01 -0.191432D-03 -0.293540D-03 0.236677D-03 0.241967D-03 20 -0.472344D-01 0.146603D-02 -0.986666D-04 0.458606D-04 -0.276143D-03 21 -0.123810D-03 0.816351D-03 -0.644164D-03 -0.296817D-03 -0.256357D-03 22 -0.437545D-02 -0.103979D-01 -0.231481D-02 0.879206D-02 -0.815715D-02 23 0.146276D-02 -0.719501D-02 0.936673D-02 -0.269164D-01 0.249644D-01 24 -0.848830D-02 -0.139444D-01 -0.735983D-02 0.211290D-01 -0.207562D-01 25 -0.730412D-03 -0.268571D-03 0.592074D-03 -0.101985D-02 -0.453695D-03 26 -0.246561D-02 -0.356889D-03 -0.433693D-03 0.236912D-02 0.262053D-04 27 -0.112966D-03 -0.699883D-03 0.399122D-03 -0.391853D-02 -0.270124D-02 28 0.792296D-03 0.776556D-04 -0.275735D-03 0.108058D-02 0.359965D-03 29 0.112266D-02 0.233480D-03 0.615771D-03 -0.369166D-02 -0.955786D-03 30 0.245840D-03 0.220793D-03 -0.305618D-03 0.222038D-02 0.973900D-03 16 17 18 19 20 16 0.146248D-01 17 -0.998613D-02 0.536682D-01 18 0.222503D-02 -0.909956D-02 0.140517D-01 19 0.606259D-04 -0.565310D-04 0.571557D-04 0.219614D-01 20 -0.822079D-03 0.749114D-04 -0.394772D-03 0.163533D-01 0.505125D-01 21 0.147064D-03 -0.390458D-04 0.212031D-04 0.795186D-02 0.204538D-02 22 -0.235528D-02 0.458864D-02 -0.377910D-02 0.964429D-04 -0.414367D-03 23 0.381953D-02 -0.119931D-01 0.967231D-02 -0.481855D-04 -0.102228D-02 24 -0.484320D-02 0.146765D-01 -0.123499D-01 0.601707D-04 0.259553D-03 25 0.267283D-02 0.116758D-02 -0.259358D-03 -0.257669D-02 0.747785D-03 26 0.116160D-02 -0.181920D-02 0.106412D-02 -0.292524D-02 0.299904D-02 27 -0.262804D-03 0.106401D-02 0.272109D-02 -0.976830D-03 -0.363100D-04 28 -0.121746D-02 -0.329238D-03 0.727429D-04 0.388607D-03 -0.177407D-05 29 -0.329609D-03 0.501111D-04 -0.302993D-03 0.292858D-02 -0.311635D-02 30 0.730652D-04 -0.294817D-03 -0.123743D-02 -0.138282D-03 0.358650D-03 21 22 23 24 25 21 0.362766D-02 22 -0.364823D-04 0.159187D-01 23 0.171964D-03 -0.107361D-01 0.493781D-01 24 -0.460348D-03 0.122839D-01 -0.201242D-01 0.679669D-01 25 -0.141233D-02 -0.741809D-03 0.226029D-03 -0.534411D-03 0.820219D-01 26 -0.167059D-02 0.316458D-03 -0.127900D-02 0.115322D-02 -0.218955D+00 27 0.657238D-05 -0.398294D-03 0.597208D-03 -0.252071D-02 0.502661D-01 28 0.210238D-03 0.272335D-03 -0.104947D-03 0.296467D-03 -0.646245D-01 29 0.166818D-02 -0.955701D-04 0.252587D-03 -0.573840D-03 0.207681D+00 30 -0.208178D-03 0.298601D-03 -0.624204D-03 0.137650D-02 -0.477366D-01 26 27 28 29 30 26 0.928094D+00 27 -0.206590D+00 0.763249D-01 28 0.207690D+00 -0.477368D-01 0.594471D-01 29 -0.867256D+00 0.196038D+00 -0.213244D+00 0.883439D+00 30 0.196027D+00 -0.591394D-01 0.490038D-01 -0.201210D+00 0.537680D-01 Leave Link 716 at Fri Apr 11 13:47:57 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 D2Numr ... symmetry will not be used. Leave Link 106 at Fri Apr 11 13:47:58 2008, MaxMem= 1258291200 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0019 0.0000 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2026.2015875753 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 Fri Apr 11 13:47:58 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= 2751 LenP2D= 11243. 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= 617 NPtTot= 106390 NUsed= 110750 NTot= 110782 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 13:48:02 2008, MaxMem= 1258291200 cpu: 8.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2026.1627894989 hartrees. Leave Link 303 at Fri Apr 11 13:48:02 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 Fri Apr 11 13:48:02 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. 110749 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234396. IEnd= 284432 IEndB= 284432 NGot=1258291200 MDV=1012634615 LenX=1012634615 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= -1682.72165325155 DIIS: error= 1.22D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.72165325155 IErMin= 1 ErrMin= 1.22D-03 ErrMax= 1.22D-03 EMaxC= 1.00D-01 BMatC= 9.11D-05 BMatP= 9.11D-05 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.22D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.108 Goal= None Shift= 0.000 GapD= 0.108 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1. RMSDP=5.25D-04 MaxDP=8.47D-03 OVMax= 3.49D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.72132103150 Delta-E= 0.000332220050 Rises=F Damp=F DIIS: error= 1.42D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1682.72165325155 IErMin= 1 ErrMin= 1.22D-03 ErrMax= 1.42D-03 EMaxC= 1.00D-01 BMatC= 3.31D-04 BMatP= 9.11D-05 IDIUse=3 WtCom= 2.10D-01 WtEn= 7.90D-01 Coeff-Com: 0.676D+00 0.324D+00 Coeff-En: 0.622D+00 0.378D+00 Coeff: 0.634D+00 0.366D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=3.52D-04 MaxDP=5.00D-03 DE= 3.32D-04 OVMax= 1.70D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.72209755500 Delta-E= -0.000776523501 Rises=F Damp=F DIIS: error= 5.20D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.72209755500 IErMin= 3 ErrMin= 5.20D-04 ErrMax= 5.20D-04 EMaxC= 1.00D-01 BMatC= 8.60D-05 BMatP= 9.11D-05 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.20D-03 Coeff-Com: 0.420D+00 0.262D+00 0.317D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.418D+00 0.261D+00 0.321D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=7.53D-05 MaxDP=1.38D-03 DE=-7.77D-04 OVMax= 1.22D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.72215679247 Delta-E= -0.000059237472 Rises=F Damp=F DIIS: error= 4.26D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.72215679247 IErMin= 4 ErrMin= 4.26D-05 ErrMax= 4.26D-05 EMaxC= 1.00D-01 BMatC= 1.38D-06 BMatP= 8.60D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.116D+00 0.597D-01 0.100D+00 0.723D+00 Coeff: 0.116D+00 0.597D-01 0.100D+00 0.723D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=2.80D-05 MaxDP=5.79D-04 DE=-5.92D-05 OVMax= 6.43D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.72215791740 Delta-E= -0.000001124930 Rises=F Damp=F DIIS: error= 4.73D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.72215791740 IErMin= 4 ErrMin= 4.26D-05 ErrMax= 4.73D-05 EMaxC= 1.00D-01 BMatC= 1.29D-06 BMatP= 1.38D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.165D-01-0.304D-02 0.441D-02 0.500D+00 0.482D+00 Coeff: 0.165D-01-0.304D-02 0.441D-02 0.500D+00 0.482D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.38D-05 MaxDP=2.32D-04 DE=-1.12D-06 OVMax= 2.18D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.72215862116 Delta-E= -0.000000703753 Rises=F Damp=F DIIS: error= 3.25D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.72215862116 IErMin= 6 ErrMin= 3.25D-05 ErrMax= 3.25D-05 EMaxC= 1.00D-01 BMatC= 2.84D-07 BMatP= 1.29D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.609D-02-0.110D-01-0.200D-01 0.142D+00 0.363D+00 0.532D+00 Coeff: -0.609D-02-0.110D-01-0.200D-01 0.142D+00 0.363D+00 0.532D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=6.02D-06 MaxDP=8.76D-05 DE=-7.04D-07 OVMax= 2.16D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.72215884552 Delta-E= -0.000000224361 Rises=F Damp=F DIIS: error= 1.15D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.72215884552 IErMin= 7 ErrMin= 1.15D-05 ErrMax= 1.15D-05 EMaxC= 1.00D-01 BMatC= 3.08D-08 BMatP= 2.84D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.492D-02-0.757D-02-0.141D-01 0.698D-01 0.232D+00 0.383D+00 Coeff-Com: 0.342D+00 Coeff: -0.492D-02-0.757D-02-0.141D-01 0.698D-01 0.232D+00 0.383D+00 Coeff: 0.342D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.58D-06 MaxDP=3.03D-05 DE=-2.24D-07 OVMax= 7.47D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.72215887473 Delta-E= -0.000000029210 Rises=F Damp=F DIIS: error= 5.27D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.72215887473 IErMin= 8 ErrMin= 5.27D-06 ErrMax= 5.27D-06 EMaxC= 1.00D-01 BMatC= 5.51D-09 BMatP= 3.08D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.231D-02-0.342D-02-0.612D-02 0.216D-01 0.990D-01 0.181D+00 Coeff-Com: 0.280D+00 0.430D+00 Coeff: -0.231D-02-0.342D-02-0.612D-02 0.216D-01 0.990D-01 0.181D+00 Coeff: 0.280D+00 0.430D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=7.42D-07 MaxDP=1.43D-05 DE=-2.92D-08 OVMax= 2.58D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.72215887854 Delta-E= -0.000000003809 Rises=F Damp=F DIIS: error= 1.46D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.72215887854 IErMin= 9 ErrMin= 1.46D-06 ErrMax= 1.46D-06 EMaxC= 1.00D-01 BMatC= 1.06D-09 BMatP= 5.51D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.507D-03-0.514D-03-0.680D-03-0.731D-02 0.596D-02 0.245D-01 Coeff-Com: 0.116D+00 0.338D+00 0.524D+00 Coeff: -0.507D-03-0.514D-03-0.680D-03-0.731D-02 0.596D-02 0.245D-01 Coeff: 0.116D+00 0.338D+00 0.524D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=4.11D-07 MaxDP=4.72D-06 DE=-3.81D-09 OVMax= 2.23D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.72215887995 Delta-E= -0.000000001416 Rises=F Damp=F DIIS: error= 5.13D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.72215887995 IErMin=10 ErrMin= 5.13D-07 ErrMax= 5.13D-07 EMaxC= 1.00D-01 BMatC= 1.07D-10 BMatP= 1.06D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.205D-04 0.952D-04 0.149D-03-0.721D-02-0.755D-02-0.498D-02 Coeff-Com: 0.404D-01 0.175D+00 0.300D+00 0.505D+00 Coeff: -0.205D-04 0.952D-04 0.149D-03-0.721D-02-0.755D-02-0.498D-02 Coeff: 0.404D-01 0.175D+00 0.300D+00 0.505D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.70D-07 MaxDP=2.94D-06 DE=-1.42D-09 OVMax= 6.35D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.72215888007 Delta-E= -0.000000000113 Rises=F Damp=F DIIS: error= 4.40D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.72215888007 IErMin=11 ErrMin= 4.40D-07 ErrMax= 4.40D-07 EMaxC= 1.00D-01 BMatC= 6.17D-11 BMatP= 1.07D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.117D-03 0.212D-03 0.259D-03-0.377D-02-0.777D-02-0.117D-01 Coeff-Com: 0.143D-02 0.598D-01 0.112D+00 0.424D+00 0.426D+00 Coeff: 0.117D-03 0.212D-03 0.259D-03-0.377D-02-0.777D-02-0.117D-01 Coeff: 0.143D-02 0.598D-01 0.112D+00 0.424D+00 0.426D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=7.53D-08 MaxDP=1.52D-06 DE=-1.13D-10 OVMax= 1.93D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.72215888010 Delta-E= -0.000000000034 Rises=F Damp=F DIIS: error= 7.58D-08 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.72215888010 IErMin=12 ErrMin= 7.58D-08 ErrMax= 7.58D-08 EMaxC= 1.00D-01 BMatC= 2.67D-12 BMatP= 6.17D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.711D-04 0.952D-04 0.871D-04-0.841D-03-0.247D-02-0.518D-02 Coeff-Com: -0.373D-02 0.259D-02 0.412D-02 0.137D+00 0.206D+00 0.663D+00 Coeff: 0.711D-04 0.952D-04 0.871D-04-0.841D-03-0.247D-02-0.518D-02 Coeff: -0.373D-02 0.259D-02 0.412D-02 0.137D+00 0.206D+00 0.663D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=2.64D-08 MaxDP=4.28D-07 DE=-3.37D-11 OVMax= 1.15D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.72215888011 Delta-E= -0.000000000014 Rises=F Damp=F DIIS: error= 4.49D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.72215888011 IErMin=13 ErrMin= 4.49D-08 ErrMax= 4.49D-08 EMaxC= 1.00D-01 BMatC= 3.76D-13 BMatP= 2.67D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.206D-04 0.211D-04 0.137D-04 0.636D-05-0.395D-03-0.133D-02 Coeff-Com: -0.191D-02-0.431D-02-0.944D-02 0.198D-01 0.517D-01 0.365D+00 Coeff-Com: 0.581D+00 Coeff: 0.206D-04 0.211D-04 0.137D-04 0.636D-05-0.395D-03-0.133D-02 Coeff: -0.191D-02-0.431D-02-0.944D-02 0.198D-01 0.517D-01 0.365D+00 Coeff: 0.581D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.03D-08 MaxDP=1.77D-07 DE=-1.36D-11 OVMax= 4.64D-07 Cycle 14 Pass 1 IDiag 1: E= -1682.72215888011 Delta-E= -0.000000000001 Rises=F Damp=F DIIS: error= 3.03D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1682.72215888011 IErMin=14 ErrMin= 3.03D-08 ErrMax= 3.03D-08 EMaxC= 1.00D-01 BMatC= 1.94D-13 BMatP= 3.76D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.220D-05-0.177D-05-0.744D-05 0.147D-03 0.157D-03 0.958D-04 Coeff-Com: -0.883D-03-0.355D-02-0.761D-02-0.106D-01-0.277D-02 0.107D+00 Coeff-Com: 0.459D+00 0.459D+00 Coeff: 0.220D-05-0.177D-05-0.744D-05 0.147D-03 0.157D-03 0.958D-04 Coeff: -0.883D-03-0.355D-02-0.761D-02-0.106D-01-0.277D-02 0.107D+00 Coeff: 0.459D+00 0.459D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=6.36D-09 MaxDP=1.11D-07 DE=-9.09D-13 OVMax= 2.59D-07 SCF Done: E(RB+HF-LYP) = -1682.72215888 A.U. after 14 cycles Convg = 0.6364D-08 -V/T = 2.4860 S**2 = 0.0000 KE= 1.132414794857D+03 PE=-8.163312921388D+03 EE= 3.322013178151D+03 Leave Link 502 at Fri Apr 11 13:48:46 2008, MaxMem= 1258291200 cpu: 129.7 (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 0.14386810D+02 Leave Link 801 at Fri Apr 11 13:48:46 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= 2751 LenP2D= 11243. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 13:48:55 2008, MaxMem= 1258291200 cpu: 20.4 (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 Fri Apr 11 13:48:56 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 Fri Apr 11 13:50:02 2008, MaxMem= 1258291200 cpu: 257.2 (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. 2 vectors were produced by pass 16. 2 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 7.20D-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 0.283304D+03 2 -0.165556D+02 0.346948D+03 3 0.195815D+01 -0.150372D+02 0.284494D+03 Isotropic polarizability for W= 0.000000 304.92 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 13:51:18 2008, MaxMem= 1258291200 cpu: 265.3 (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 -- -19.25793 -10.34305 -4.33858 -4.29948 -4.29903 Alpha occ. eigenvalues -- -4.29811 -4.29106 -4.27454 -4.27390 -4.27263 Alpha occ. eigenvalues -- -2.84992 -2.84227 -2.84218 -2.80912 -2.80789 Alpha occ. eigenvalues -- -2.80713 -2.80678 -2.80628 -2.80538 -2.80476 Alpha occ. eigenvalues -- -2.80432 -2.80334 -2.80071 -2.79688 -2.79685 Alpha occ. eigenvalues -- -2.78430 -2.78364 -2.78237 -2.78215 -2.78158 Alpha occ. eigenvalues -- -2.78039 -2.77938 -2.77877 -2.77754 -1.17440 Alpha occ. eigenvalues -- -0.57860 -0.47282 -0.47278 -0.46659 -0.35012 Alpha occ. eigenvalues -- -0.32765 -0.32733 -0.32525 -0.32123 -0.32120 Alpha occ. eigenvalues -- -0.31777 -0.30599 -0.30579 -0.30073 -0.29846 Alpha occ. eigenvalues -- -0.29841 -0.28736 -0.28681 -0.28407 -0.27701 Alpha occ. eigenvalues -- -0.27667 -0.27609 -0.27098 -0.27054 -0.26880 Alpha occ. eigenvalues -- -0.26752 -0.26735 -0.26648 -0.26622 -0.26080 Alpha occ. eigenvalues -- -0.25598 -0.25575 -0.25324 -0.25235 -0.25177 Alpha occ. eigenvalues -- -0.25100 -0.25078 -0.25023 -0.25006 -0.24903 Alpha occ. eigenvalues -- -0.24874 -0.24791 -0.24539 -0.24205 -0.24127 Alpha occ. eigenvalues -- -0.20106 -0.19951 -0.19757 Alpha virt. eigenvalues -- -0.09007 -0.08939 -0.08853 -0.06480 -0.06274 Alpha virt. eigenvalues -- -0.04142 -0.02304 -0.02052 -0.01870 -0.01037 Alpha virt. eigenvalues -- -0.00733 0.01672 0.01944 0.02570 0.02643 Alpha virt. eigenvalues -- 0.03157 0.03706 0.03928 0.04184 0.04325 Alpha virt. eigenvalues -- 0.05051 0.05589 0.05745 0.05914 0.06707 Alpha virt. eigenvalues -- 0.07023 0.07335 0.07621 0.07828 0.08210 Alpha virt. eigenvalues -- 0.08356 0.09276 0.09351 0.11325 0.11472 Alpha virt. eigenvalues -- 0.11999 0.12085 0.12507 0.12607 0.14580 Alpha virt. eigenvalues -- 0.14662 0.17269 0.17454 0.18831 0.21858 Alpha virt. eigenvalues -- 0.23824 0.25662 0.25745 0.25827 0.29340 Alpha virt. eigenvalues -- 0.29633 0.30282 0.30366 0.30563 0.32199 Alpha virt. eigenvalues -- 0.40136 0.40159 0.54914 0.61412 0.63279 Alpha virt. eigenvalues -- 0.63376 0.66774 0.69212 0.69382 0.70554 Alpha virt. eigenvalues -- 0.71040 0.71195 0.76843 0.76941 0.77098 Alpha virt. eigenvalues -- 0.81623 0.81639 0.81737 0.82602 0.83654 Alpha virt. eigenvalues -- 0.83939 0.87200 0.87239 0.88319 0.91816 Alpha virt. eigenvalues -- 0.95944 0.96076 0.97273 0.97372 1.01144 Alpha virt. eigenvalues -- 1.04237 1.06333 1.06645 1.08940 1.09044 Alpha virt. eigenvalues -- 1.12210 1.12383 1.13696 1.15298 1.25130 Alpha virt. eigenvalues -- 1.25474 1.29957 1.30404 1.30595 1.33892 Alpha virt. eigenvalues -- 1.33995 1.34923 1.50953 1.65970 2.03259 Alpha virt. eigenvalues -- 2.21991 2.22439 2.75234 2.76259 3.56800 Alpha virt. eigenvalues -- 10.43590 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.838693 -0.238567 -0.333376 -0.321846 -0.239559 0.039048 2 Cu -0.238567 19.036786 0.088110 0.057414 0.035198 0.016526 3 Cu -0.333376 0.088110 19.396000 -0.058965 0.056416 0.024689 4 Cu -0.321846 0.057414 -0.058965 19.332341 0.054420 0.019971 5 Cu -0.239559 0.035198 0.056416 0.054420 19.023330 0.015893 6 Cu 0.039048 0.016526 0.024689 0.019971 0.015893 18.784851 7 Cu -0.235061 0.035006 0.056958 0.088871 0.031617 0.015950 8 Cu -0.330529 0.054464 -0.061820 -0.055290 0.089898 0.020267 9 C 0.104816 0.027451 0.016617 0.016397 0.028070 -0.003868 10 O 0.068647 -0.015289 -0.002595 -0.002520 -0.015186 0.000082 7 8 9 10 1 Cu -0.235061 -0.330529 0.104816 0.068647 2 Cu 0.035006 0.054464 0.027451 -0.015289 3 Cu 0.056958 -0.061820 0.016617 -0.002595 4 Cu 0.088871 -0.055290 0.016397 -0.002520 5 Cu 0.031617 0.089898 0.028070 -0.015186 6 Cu 0.015950 0.020267 -0.003868 0.000082 7 Cu 19.000212 0.056271 0.027129 -0.015194 8 Cu 0.056271 19.373337 0.017082 -0.002695 9 C 0.027129 0.017082 5.104310 0.539164 10 O -0.015194 -0.002695 0.539164 7.569970 Mulliken atomic charges: 1 1 Cu 0.647734 2 Cu -0.097099 3 Cu -0.182035 4 Cu -0.130793 5 Cu -0.080099 6 Cu 0.066590 7 Cu -0.061760 8 Cu -0.160986 9 C 0.122832 10 O -0.124385 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.647734 2 Cu -0.097099 3 Cu -0.182035 4 Cu -0.130793 5 Cu -0.080099 6 Cu 0.066590 7 Cu -0.061760 8 Cu -0.160986 9 C 0.122832 10 O -0.124385 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.052446 2 Cu -0.094995 3 Cu 0.077408 4 Cu 0.072376 5 Cu -0.069638 6 Cu -0.082325 7 Cu -0.036012 8 Cu 0.074065 9 C 0.785169 10 O -0.778493 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.052446 2 Cu -0.094995 3 Cu 0.077408 4 Cu 0.072376 5 Cu -0.069638 6 Cu -0.082325 7 Cu -0.036012 8 Cu 0.074065 9 C 0.785169 10 O -0.778493 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4274.5076 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -1.5197 Y= 0.7199 Z= -0.1657 Tot= 1.6897 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.5116 YY= -113.3008 ZZ= -113.9586 XY= 1.2186 XZ= 0.6345 YZ= 0.0804 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.0788 YY= 0.2895 ZZ= -0.3683 XY= 1.2186 XZ= 0.6345 YZ= 0.0804 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 10.9278 YYY= 333.4028 ZZZ= -24.4788 XYY= -16.6611 XXY= 87.8229 XXZ= -21.2054 XZZ= 8.1669 YZZ= 93.1698 YYZ= -28.2984 XYZ= 1.9344 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1200.3646 YYYY= -2968.8631 ZZZZ= -1189.8907 XXXY= 126.6760 XXXZ= -25.3575 YYYX= 208.1141 YYYZ= 229.2375 ZZZX= -16.5674 ZZZY= 124.4208 XXYY= -622.5350 XXZZ= -409.0082 YYZZ= -657.7379 XXYZ= 69.3318 YYXZ= -16.1398 ZZXY= 32.8161 N-N= 2.026162789499D+03 E-N=-8.163312929524D+03 KE= 1.132414794857D+03 Exact polarizability: 283.304 -16.556 346.948 1.958 -15.037 284.494 Approx polarizability: 573.872 -55.712 799.895 10.941 -52.988 575.701 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 13:51:19 2008, MaxMem= 1258291200 cpu: 1.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-5.97882160D-01 2.83233044D-01-6.51954038D-02 Polarizability= 2.83303732D+02-1.65556144D+01 3.46947787D+02 1.95815257D+00-1.50372363D+01 2.84494109D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000401060 -0.000289103 0.000114023 2 29 0.000155722 -0.000007112 -0.000148973 3 29 -0.000248671 0.000359516 0.000125350 4 29 -0.000011942 -0.000154706 -0.000030550 5 29 -0.000016840 -0.000033605 0.000027822 6 29 0.000212753 -0.000013809 -0.000010196 7 29 0.000141487 -0.000060829 0.000116644 8 29 0.000059883 0.000129163 -0.000166401 9 6 -0.000150314 0.000972436 -0.000244973 10 8 0.000258980 -0.000901951 0.000217253 ------------------------------------------------------------------- Cartesian Forces: Max 0.000972436 RMS 0.000295792 Leave Link 716 at Fri Apr 11 13:51:19 2008, MaxMem= 1258291200 cpu: 0.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=1 IStep= 1. Leave Link 106 at Fri Apr 11 13:51:20 2008, MaxMem= 1258291200 cpu: 0.7 (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 2026.2015875753 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 Fri Apr 11 13:51:20 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= 2751 LenP2D= 11243. 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= 617 NPtTot= 106390 NUsed= 110750 NTot= 110782 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 13:51:23 2008, MaxMem= 1258291200 cpu: 8.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2026.2403856518 hartrees. Leave Link 303 at Fri Apr 11 13:51:23 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 Fri Apr 11 13:51:23 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. 110749 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234396. IEnd= 284432 IEndB= 284432 NGot=1258291200 MDV=1012634615 LenX=1012634615 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= -1682.72141607811 DIIS: error= 1.22D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.72141607811 IErMin= 1 ErrMin= 1.22D-03 ErrMax= 1.22D-03 EMaxC= 1.00D-01 BMatC= 9.11D-05 BMatP= 9.11D-05 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.22D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.108 Goal= None Shift= 0.000 GapD= 0.108 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1. RMSDP=5.26D-04 MaxDP=8.99D-03 OVMax= 3.84D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.72106722373 Delta-E= 0.000348854374 Rises=F Damp=F DIIS: error= 1.46D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1682.72141607811 IErMin= 1 ErrMin= 1.22D-03 ErrMax= 1.46D-03 EMaxC= 1.00D-01 BMatC= 3.34D-04 BMatP= 9.11D-05 IDIUse=3 WtCom= 2.08D-01 WtEn= 7.92D-01 Coeff-Com: 0.677D+00 0.323D+00 Coeff-En: 0.626D+00 0.374D+00 Coeff: 0.637D+00 0.363D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=3.50D-04 MaxDP=5.28D-03 DE= 3.49D-04 OVMax= 1.57D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.72186362762 Delta-E= -0.000796403882 Rises=F Damp=F DIIS: error= 5.08D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.72186362762 IErMin= 3 ErrMin= 5.08D-04 ErrMax= 5.08D-04 EMaxC= 1.00D-01 BMatC= 8.21D-05 BMatP= 9.11D-05 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.08D-03 Coeff-Com: 0.421D+00 0.259D+00 0.320D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.419D+00 0.257D+00 0.324D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=7.45D-05 MaxDP=1.32D-03 DE=-7.96D-04 OVMax= 1.41D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.72192036122 Delta-E= -0.000056733600 Rises=F Damp=F DIIS: error= 4.54D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.72192036122 IErMin= 4 ErrMin= 4.54D-05 ErrMax= 4.54D-05 EMaxC= 1.00D-01 BMatC= 1.63D-06 BMatP= 8.21D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.126D+00 0.653D-01 0.113D+00 0.695D+00 Coeff: 0.126D+00 0.653D-01 0.113D+00 0.695D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=2.75D-05 MaxDP=5.44D-04 DE=-5.67D-05 OVMax= 6.11D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.72192140162 Delta-E= -0.000001040401 Rises=F Damp=F DIIS: error= 5.10D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.72192140162 IErMin= 4 ErrMin= 4.54D-05 ErrMax= 5.10D-05 EMaxC= 1.00D-01 BMatC= 1.68D-06 BMatP= 1.63D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.226D-01 0.338D-03 0.126D-01 0.510D+00 0.455D+00 Coeff: 0.226D-01 0.338D-03 0.126D-01 0.510D+00 0.455D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.37D-05 MaxDP=2.18D-04 DE=-1.04D-06 OVMax= 2.43D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.72192224492 Delta-E= -0.000000843307 Rises=F Damp=F DIIS: error= 4.21D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.72192224492 IErMin= 6 ErrMin= 4.21D-05 ErrMax= 4.21D-05 EMaxC= 1.00D-01 BMatC= 4.46D-07 BMatP= 1.63D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.348D-02-0.105D-01-0.172D-01 0.200D+00 0.374D+00 0.458D+00 Coeff: -0.348D-02-0.105D-01-0.172D-01 0.200D+00 0.374D+00 0.458D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=5.81D-06 MaxDP=1.15D-04 DE=-8.43D-07 OVMax= 1.96D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.72192253918 Delta-E= -0.000000294254 Rises=F Damp=F DIIS: error= 2.06D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.72192253918 IErMin= 7 ErrMin= 2.06D-05 ErrMax= 2.06D-05 EMaxC= 1.00D-01 BMatC= 1.11D-07 BMatP= 4.46D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.555D-02-0.837D-02-0.164D-01 0.751D-01 0.240D+00 0.383D+00 Coeff-Com: 0.333D+00 Coeff: -0.555D-02-0.837D-02-0.164D-01 0.751D-01 0.240D+00 0.383D+00 Coeff: 0.333D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=2.62D-06 MaxDP=4.03D-05 DE=-2.94D-07 OVMax= 7.87D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.72192262705 Delta-E= -0.000000087869 Rises=F Damp=F DIIS: error= 3.02D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.72192262705 IErMin= 8 ErrMin= 3.02D-06 ErrMax= 3.02D-06 EMaxC= 1.00D-01 BMatC= 3.97D-09 BMatP= 1.11D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.273D-02-0.401D-02-0.759D-02 0.276D-01 0.108D+00 0.188D+00 Coeff-Com: 0.208D+00 0.483D+00 Coeff: -0.273D-02-0.401D-02-0.759D-02 0.276D-01 0.108D+00 0.188D+00 Coeff: 0.208D+00 0.483D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=9.47D-07 MaxDP=1.22D-05 DE=-8.79D-08 OVMax= 4.33D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.72192263114 Delta-E= -0.000000004088 Rises=F Damp=F DIIS: error= 1.79D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.72192263114 IErMin= 9 ErrMin= 1.79D-06 ErrMax= 1.79D-06 EMaxC= 1.00D-01 BMatC= 8.18D-10 BMatP= 3.97D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.449D-03-0.436D-03-0.567D-03-0.726D-02 0.185D-02 0.154D-01 Coeff-Com: 0.476D-01 0.332D+00 0.612D+00 Coeff: -0.449D-03-0.436D-03-0.567D-03-0.726D-02 0.185D-02 0.154D-01 Coeff: 0.476D-01 0.332D+00 0.612D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=4.41D-07 MaxDP=4.97D-06 DE=-4.09D-09 OVMax= 2.53D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.72192263253 Delta-E= -0.000000001392 Rises=F Damp=F DIIS: error= 4.07D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.72192263253 IErMin=10 ErrMin= 4.07D-07 ErrMax= 4.07D-07 EMaxC= 1.00D-01 BMatC= 8.49D-11 BMatP= 8.18D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.221D-04 0.818D-04 0.118D-03-0.640D-02-0.724D-02-0.560D-02 Coeff-Com: 0.982D-02 0.161D+00 0.327D+00 0.521D+00 Coeff: -0.221D-04 0.818D-04 0.118D-03-0.640D-02-0.724D-02-0.560D-02 Coeff: 0.982D-02 0.161D+00 0.327D+00 0.521D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.65D-07 MaxDP=3.06D-06 DE=-1.39D-09 OVMax= 5.43D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.72192263259 Delta-E= -0.000000000061 Rises=F Damp=F DIIS: error= 4.57D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.72192263259 IErMin=10 ErrMin= 4.07D-07 ErrMax= 4.57D-07 EMaxC= 1.00D-01 BMatC= 6.63D-11 BMatP= 8.49D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.127D-03 0.213D-03 0.260D-03-0.323D-02-0.712D-02-0.108D-01 Coeff-Com: -0.789D-02 0.442D-01 0.105D+00 0.458D+00 0.420D+00 Coeff: 0.127D-03 0.213D-03 0.260D-03-0.323D-02-0.712D-02-0.108D-01 Coeff: -0.789D-02 0.442D-01 0.105D+00 0.458D+00 0.420D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=7.40D-08 MaxDP=1.38D-06 DE=-6.09D-11 OVMax= 1.94D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.72192263264 Delta-E= -0.000000000049 Rises=F Damp=F DIIS: error= 4.09D-08 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.72192263264 IErMin=12 ErrMin= 4.09D-08 ErrMax= 4.09D-08 EMaxC= 1.00D-01 BMatC= 1.30D-12 BMatP= 6.63D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.678D-04 0.854D-04 0.904D-04-0.729D-03-0.203D-02-0.395D-02 Coeff-Com: -0.425D-02 0.263D-02 0.296D-02 0.141D+00 0.160D+00 0.705D+00 Coeff: 0.678D-04 0.854D-04 0.904D-04-0.729D-03-0.203D-02-0.395D-02 Coeff: -0.425D-02 0.263D-02 0.296D-02 0.141D+00 0.160D+00 0.705D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=2.02D-08 MaxDP=3.39D-07 DE=-4.87D-11 OVMax= 8.50D-07 Cycle 13 Pass 1 IDiag 1: E= -1682.72192263264 Delta-E= -0.000000000007 Rises=F Damp=F DIIS: error= 1.97D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.72192263264 IErMin=13 ErrMin= 1.97D-08 ErrMax= 1.97D-08 EMaxC= 1.00D-01 BMatC= 3.08D-13 BMatP= 1.30D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.146D-04 0.120D-04 0.675D-05 0.805D-04-0.108D-03-0.651D-03 Coeff-Com: -0.118D-02-0.475D-02-0.113D-01 0.961D-02 0.269D-01 0.392D+00 Coeff-Com: 0.589D+00 Coeff: 0.146D-04 0.120D-04 0.675D-05 0.805D-04-0.108D-03-0.651D-03 Coeff: -0.118D-02-0.475D-02-0.113D-01 0.961D-02 0.269D-01 0.392D+00 Coeff: 0.589D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=9.29D-09 MaxDP=1.16D-07 DE=-7.28D-12 OVMax= 4.10D-07 SCF Done: E(RB+HF-LYP) = -1682.72192263 A.U. after 13 cycles Convg = 0.9294D-08 -V/T = 2.4860 S**2 = 0.0000 KE= 1.132408737558D+03 PE=-8.163378275822D+03 EE= 3.322007229979D+03 Leave Link 502 at Fri Apr 11 13:52:03 2008, MaxMem= 1258291200 cpu: 129.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.15908243D+02 Leave Link 801 at Fri Apr 11 13:52:04 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= 2751 LenP2D= 11243. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 13:52:10 2008, MaxMem= 1258291200 cpu: 20.2 (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 Fri Apr 11 13:52:11 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 Fri Apr 11 13:53:19 2008, MaxMem= 1258291200 cpu: 257.7 (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. 2 vectors were produced by pass 16. 2 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 8.85D-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 0.284847D+03 2 -0.168396D+02 0.349677D+03 3 0.529227D+01 -0.150810D+02 0.283524D+03 Isotropic polarizability for W= 0.000000 306.02 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 13:54:33 2008, MaxMem= 1258291200 cpu: 258.5 (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 -- -19.25746 -10.34243 -4.33892 -4.30017 -4.29959 Alpha occ. eigenvalues -- -4.29894 -4.29228 -4.27510 -4.27417 -4.27323 Alpha occ. eigenvalues -- -2.85025 -2.84261 -2.84255 -2.80978 -2.80852 Alpha occ. eigenvalues -- -2.80790 -2.80748 -2.80683 -2.80618 -2.80544 Alpha occ. eigenvalues -- -2.80489 -2.80412 -2.80193 -2.79807 -2.79805 Alpha occ. eigenvalues -- -2.78485 -2.78390 -2.78297 -2.78273 -2.78189 Alpha occ. eigenvalues -- -2.78101 -2.77996 -2.77907 -2.77816 -1.17353 Alpha occ. eigenvalues -- -0.57737 -0.47170 -0.47167 -0.46607 -0.35098 Alpha occ. eigenvalues -- -0.32806 -0.32779 -0.32566 -0.32162 -0.32158 Alpha occ. eigenvalues -- -0.31841 -0.30679 -0.30660 -0.30128 -0.29915 Alpha occ. eigenvalues -- -0.29910 -0.28799 -0.28749 -0.28475 -0.27759 Alpha occ. eigenvalues -- -0.27729 -0.27681 -0.27169 -0.27137 -0.26989 Alpha occ. eigenvalues -- -0.26849 -0.26824 -0.26734 -0.26706 -0.26144 Alpha occ. eigenvalues -- -0.25653 -0.25624 -0.25376 -0.25292 -0.25237 Alpha occ. eigenvalues -- -0.25149 -0.25133 -0.25082 -0.25063 -0.24960 Alpha occ. eigenvalues -- -0.24915 -0.24849 -0.24594 -0.24267 -0.24195 Alpha occ. eigenvalues -- -0.20134 -0.20004 -0.19849 Alpha virt. eigenvalues -- -0.09085 -0.08977 -0.08898 -0.06496 -0.06273 Alpha virt. eigenvalues -- -0.04382 -0.02341 -0.02117 -0.01914 -0.01043 Alpha virt. eigenvalues -- -0.00784 0.01551 0.01925 0.02423 0.02619 Alpha virt. eigenvalues -- 0.03121 0.03677 0.03907 0.04043 0.04292 Alpha virt. eigenvalues -- 0.04592 0.05510 0.05624 0.05777 0.06696 Alpha virt. eigenvalues -- 0.07058 0.07128 0.07456 0.08008 0.08096 Alpha virt. eigenvalues -- 0.08232 0.09184 0.09271 0.11293 0.11315 Alpha virt. eigenvalues -- 0.11922 0.11971 0.12449 0.12554 0.14516 Alpha virt. eigenvalues -- 0.14604 0.17092 0.17319 0.18778 0.21756 Alpha virt. eigenvalues -- 0.23902 0.25574 0.25745 0.25815 0.29217 Alpha virt. eigenvalues -- 0.29539 0.30199 0.30280 0.30451 0.32197 Alpha virt. eigenvalues -- 0.40223 0.40255 0.55071 0.61344 0.63253 Alpha virt. eigenvalues -- 0.63347 0.66943 0.69215 0.69330 0.70503 Alpha virt. eigenvalues -- 0.71006 0.71111 0.76918 0.76992 0.77048 Alpha virt. eigenvalues -- 0.81530 0.81573 0.81758 0.82556 0.83630 Alpha virt. eigenvalues -- 0.83915 0.87130 0.87160 0.88186 0.91759 Alpha virt. eigenvalues -- 0.95898 0.96017 0.97216 0.97334 1.01110 Alpha virt. eigenvalues -- 1.04140 1.06270 1.06586 1.08867 1.08961 Alpha virt. eigenvalues -- 1.12189 1.12284 1.13637 1.15237 1.25106 Alpha virt. eigenvalues -- 1.25400 1.29882 1.30354 1.30529 1.33826 Alpha virt. eigenvalues -- 1.33867 1.34869 1.50841 1.66080 2.03091 Alpha virt. eigenvalues -- 2.21890 2.22360 2.75008 2.76488 3.56773 Alpha virt. eigenvalues -- 10.43647 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.822767 -0.233726 -0.321184 -0.329108 -0.237015 0.041202 2 Cu -0.233726 18.994163 0.089039 0.058902 0.029985 0.015963 3 Cu -0.321184 0.089039 19.346834 -0.061806 0.055891 0.017893 4 Cu -0.329108 0.058902 -0.061806 19.400444 0.055940 0.023760 5 Cu -0.237015 0.029985 0.055891 0.055940 19.011343 0.015818 6 Cu 0.041202 0.015963 0.017893 0.023760 0.015818 18.805299 7 Cu -0.235469 0.034911 0.056638 0.086284 0.035487 0.016664 8 Cu -0.326242 0.054398 -0.056870 -0.063621 0.089265 0.017773 9 C 0.103008 0.027210 0.016325 0.016484 0.028064 -0.004027 10 O 0.068437 -0.014963 -0.002481 -0.002582 -0.015024 0.000092 7 8 9 10 1 Cu -0.235469 -0.326242 0.103008 0.068437 2 Cu 0.034911 0.054398 0.027210 -0.014963 3 Cu 0.056638 -0.056870 0.016325 -0.002481 4 Cu 0.086284 -0.063621 0.016484 -0.002582 5 Cu 0.035487 0.089265 0.028064 -0.015024 6 Cu 0.016664 0.017773 -0.004027 0.000092 7 Cu 19.031057 0.056823 0.027466 -0.015254 8 Cu 0.056823 19.372742 0.017001 -0.002654 9 C 0.027466 0.017001 5.103431 0.540745 10 O -0.015254 -0.002654 0.540745 7.561035 Mulliken atomic charges: 1 1 Cu 0.647329 2 Cu -0.055882 3 Cu -0.140280 4 Cu -0.184696 5 Cu -0.069754 6 Cu 0.049563 7 Cu -0.094607 8 Cu -0.158615 9 C 0.124293 10 O -0.117350 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.647329 2 Cu -0.055882 3 Cu -0.140280 4 Cu -0.184696 5 Cu -0.069754 6 Cu 0.049563 7 Cu -0.094607 8 Cu -0.158615 9 C 0.124293 10 O -0.117350 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.045979 2 Cu -0.031076 3 Cu 0.068812 4 Cu 0.074852 5 Cu -0.055462 6 Cu -0.100671 7 Cu -0.091042 8 Cu 0.070367 9 C 0.788818 10 O -0.770577 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.045979 2 Cu -0.031076 3 Cu 0.068812 4 Cu 0.074852 5 Cu -0.055462 6 Cu -0.100671 7 Cu -0.091042 8 Cu 0.070367 9 C 0.788818 10 O -0.770577 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4274.6598 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 1.2044 Y= 0.5596 Z= -0.1307 Tot= 1.3345 Quadrupole moment (field-independent basis, Debye-Ang): XX= -114.0663 YY= -113.7045 ZZ= -113.2048 XY= -1.6586 XZ= -0.5702 YZ= -0.0559 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.4078 YY= -0.0459 ZZ= 0.4537 XY= -1.6586 XZ= -0.5702 YZ= -0.0559 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 37.1712 YYY= 331.3032 ZZZ= -23.6999 XYY= -2.9589 XXY= 88.0052 XXZ= -21.8189 XZZ= 16.4807 YZZ= 91.9816 YYZ= -27.0080 XYZ= 3.4354 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1208.3108 YYYY= -2969.6979 ZZZZ= -1178.7381 XXXY= 92.2717 XXXZ= -44.7656 YYYX= 179.3792 YYYZ= 224.6913 ZZZX= -18.8102 ZZZY= 123.4448 XXYY= -632.6035 XXZZ= -404.5309 YYZZ= -656.3943 XXYZ= 70.0473 YYXZ= -22.4238 ZZXY= 24.1966 N-N= 2.026240385652D+03 E-N=-8.163378271295D+03 KE= 1.132408737558D+03 Exact polarizability: 284.847 -16.840 349.677 5.292 -15.081 283.524 Approx polarizability: 578.978 -60.623 801.271 14.695 -52.499 576.212 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 13:54:34 2008, MaxMem= 1258291200 cpu: 1.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 4.73836962D-01 2.20179718D-01-5.14350186D-02 Polarizability= 2.84847021D+02-1.68396022D+01 3.49677410D+02 5.29227134D+00-1.50809542D+01 2.83523825D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000467714 0.000252649 -0.000006545 2 29 -0.000054749 -0.000007614 0.000084358 3 29 0.000148060 -0.000258703 -0.000085854 4 29 0.000018267 0.000248913 0.000038488 5 29 0.000057947 0.000055075 -0.000020095 6 29 -0.000242333 -0.000099026 0.000007078 7 29 -0.000236538 0.000005766 -0.000103455 8 29 -0.000091515 -0.000086750 0.000070896 9 6 0.000188109 -0.001110876 0.000236050 10 8 -0.000254961 0.001000567 -0.000220921 ------------------------------------------------------------------- Cartesian Forces: Max 0.001110876 RMS 0.000319159 Leave Link 716 at Fri Apr 11 13:54:34 2008, MaxMem= 1258291200 cpu: 0.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=1 IStep= 2. Leave Link 106 at Fri Apr 11 13:54:34 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 2026.2015875753 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 Fri Apr 11 13:54:34 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= 2751 LenP2D= 11243. 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= 617 NPtTot= 106390 NUsed= 110750 NTot= 110782 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 13:54:38 2008, MaxMem= 1258291200 cpu: 8.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2025.7122592771 hartrees. Leave Link 303 at Fri Apr 11 13:54:38 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 Fri Apr 11 13:54:38 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. 110749 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234396. IEnd= 284432 IEndB= 284432 NGot=1258291200 MDV=1012634615 LenX=1012634615 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= -1682.72105876569 DIIS: error= 1.21D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.72105876569 IErMin= 1 ErrMin= 1.21D-03 ErrMax= 1.21D-03 EMaxC= 1.00D-01 BMatC= 1.15D-04 BMatP= 1.15D-04 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.21D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.110 Goal= None Shift= 0.000 GapD= 0.110 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1. RMSDP=5.87D-04 MaxDP=9.95D-03 OVMax= 4.11D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.72004786821 Delta-E= 0.001010897487 Rises=F Damp=F DIIS: error= 2.22D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1682.72105876569 IErMin= 1 ErrMin= 1.21D-03 ErrMax= 2.22D-03 EMaxC= 1.00D-01 BMatC= 6.85D-04 BMatP= 1.15D-04 IDIUse=3 WtCom= 1.75D-01 WtEn= 8.25D-01 Coeff-Com: 0.738D+00 0.262D+00 Coeff-En: 0.707D+00 0.293D+00 Coeff: 0.712D+00 0.288D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=3.61D-04 MaxDP=5.06D-03 DE= 1.01D-03 OVMax= 2.11D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.72162170823 Delta-E= -0.001573840026 Rises=F Damp=F DIIS: error= 4.04D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.72162170823 IErMin= 3 ErrMin= 4.04D-04 ErrMax= 4.04D-04 EMaxC= 1.00D-01 BMatC= 6.45D-05 BMatP= 1.15D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.04D-03 Coeff-Com: 0.427D+00 0.169D+00 0.403D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.426D+00 0.169D+00 0.406D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=7.94D-05 MaxDP=1.52D-03 DE=-1.57D-03 OVMax= 2.56D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.72167520616 Delta-E= -0.000053497923 Rises=F Damp=F DIIS: error= 1.39D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.72167520616 IErMin= 4 ErrMin= 1.39D-04 ErrMax= 1.39D-04 EMaxC= 1.00D-01 BMatC= 8.82D-06 BMatP= 6.45D-05 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.39D-03 Coeff-Com: 0.154D+00 0.401D-01 0.241D+00 0.565D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.154D+00 0.401D-01 0.241D+00 0.565D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=3.48D-05 MaxDP=5.32D-04 DE=-5.35D-05 OVMax= 1.48D-03 Cycle 5 Pass 1 IDiag 1: E= -1682.72168118768 Delta-E= -0.000005981520 Rises=F Damp=F DIIS: error= 1.07D-04 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.72168118768 IErMin= 5 ErrMin= 1.07D-04 ErrMax= 1.07D-04 EMaxC= 1.00D-01 BMatC= 3.17D-06 BMatP= 8.82D-06 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.07D-03 Coeff-Com: 0.519D-01 0.967D-03 0.903D-01 0.419D+00 0.438D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.226D+00 0.774D+00 Coeff: 0.518D-01 0.966D-03 0.902D-01 0.419D+00 0.438D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.51D-05 MaxDP=3.45D-04 DE=-5.98D-06 OVMax= 4.52D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.72168262559 Delta-E= -0.000001437919 Rises=F Damp=F DIIS: error= 7.76D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.72168262559 IErMin= 6 ErrMin= 7.76D-05 ErrMax= 7.76D-05 EMaxC= 1.00D-01 BMatC= 1.24D-06 BMatP= 3.17D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.408D-02-0.958D-02 0.103D-02 0.193D+00 0.415D+00 0.397D+00 Coeff: 0.408D-02-0.958D-02 0.103D-02 0.193D+00 0.415D+00 0.397D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=8.24D-06 MaxDP=1.33D-04 DE=-1.44D-06 OVMax= 3.01D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.72168364561 Delta-E= -0.000001020020 Rises=F Damp=F DIIS: error= 1.24D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.72168364561 IErMin= 7 ErrMin= 1.24D-05 ErrMax= 1.24D-05 EMaxC= 1.00D-01 BMatC= 7.41D-08 BMatP= 1.24D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.241D-02-0.590D-02-0.121D-01 0.680D-01 0.245D+00 0.249D+00 Coeff-Com: 0.458D+00 Coeff: -0.241D-02-0.590D-02-0.121D-01 0.680D-01 0.245D+00 0.249D+00 Coeff: 0.458D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=3.26D-06 MaxDP=5.02D-05 DE=-1.02D-06 OVMax= 7.01D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.72168370249 Delta-E= -0.000000056880 Rises=F Damp=F DIIS: error= 5.28D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.72168370249 IErMin= 8 ErrMin= 5.28D-06 ErrMax= 5.28D-06 EMaxC= 1.00D-01 BMatC= 1.70D-08 BMatP= 7.41D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.196D-02-0.261D-02-0.860D-02 0.174D-01 0.118D+00 0.113D+00 Coeff-Com: 0.347D+00 0.418D+00 Coeff: -0.196D-02-0.261D-02-0.860D-02 0.174D-01 0.118D+00 0.113D+00 Coeff: 0.347D+00 0.418D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.24D-06 MaxDP=2.42D-05 DE=-5.69D-08 OVMax= 5.14D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.72168371985 Delta-E= -0.000000017355 Rises=F Damp=F DIIS: error= 1.08D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.72168371985 IErMin= 9 ErrMin= 1.08D-06 ErrMax= 1.08D-06 EMaxC= 1.00D-01 BMatC= 5.61D-10 BMatP= 1.70D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.957D-03-0.492D-03-0.346D-02-0.412D-02 0.208D-01 0.194D-01 Coeff-Com: 0.943D-01 0.190D+00 0.685D+00 Coeff: -0.957D-03-0.492D-03-0.346D-02-0.412D-02 0.208D-01 0.194D-01 Coeff: 0.943D-01 0.190D+00 0.685D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=4.44D-07 MaxDP=5.61D-06 DE=-1.74D-08 OVMax= 1.45D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.72168372055 Delta-E= -0.000000000704 Rises=F Damp=F DIIS: error= 6.50D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.72168372055 IErMin=10 ErrMin= 6.50D-07 ErrMax= 6.50D-07 EMaxC= 1.00D-01 BMatC= 1.95D-10 BMatP= 5.61D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.248D-03 0.843D-04-0.849D-03-0.481D-02-0.418D-02-0.477D-02 Coeff-Com: 0.104D-01 0.651D-01 0.437D+00 0.502D+00 Coeff: -0.248D-03 0.843D-04-0.849D-03-0.481D-02-0.418D-02-0.477D-02 Coeff: 0.104D-01 0.651D-01 0.437D+00 0.502D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.79D-07 MaxDP=4.02D-06 DE=-7.04D-10 OVMax= 3.99D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.72168372073 Delta-E= -0.000000000172 Rises=F Damp=F DIIS: error= 4.48D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.72168372073 IErMin=11 ErrMin= 4.48D-07 ErrMax= 4.48D-07 EMaxC= 1.00D-01 BMatC= 5.36D-11 BMatP= 1.95D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.824D-04 0.692D-04-0.222D-03-0.226D-02-0.444D-02-0.467D-02 Coeff-Com: -0.395D-02 0.199D-01 0.181D+00 0.376D+00 0.439D+00 Coeff: -0.824D-04 0.692D-04-0.222D-03-0.226D-02-0.444D-02-0.467D-02 Coeff: -0.395D-02 0.199D-01 0.181D+00 0.376D+00 0.439D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=8.30D-08 MaxDP=1.76D-06 DE=-1.72D-10 OVMax= 3.53D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.72168372077 Delta-E= -0.000000000043 Rises=F Damp=F DIIS: error= 1.18D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.72168372077 IErMin=12 ErrMin= 1.18D-07 ErrMax= 1.18D-07 EMaxC= 1.00D-01 BMatC= 3.58D-12 BMatP= 5.36D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.492D-04 0.251D-04 0.186D-03-0.808D-04-0.174D-02-0.196D-02 Coeff-Com: -0.594D-02-0.348D-02-0.156D-01 0.991D-01 0.221D+00 0.708D+00 Coeff: 0.492D-04 0.251D-04 0.186D-03-0.808D-04-0.174D-02-0.196D-02 Coeff: -0.594D-02-0.348D-02-0.156D-01 0.991D-01 0.221D+00 0.708D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=3.04D-08 MaxDP=6.39D-07 DE=-4.27D-11 OVMax= 1.39D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.72168372078 Delta-E= -0.000000000010 Rises=F Damp=F DIIS: error= 4.22D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.72168372078 IErMin=13 ErrMin= 4.22D-08 ErrMax= 4.22D-08 EMaxC= 1.00D-01 BMatC= 4.09D-13 BMatP= 3.58D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.291D-04 0.101D-04 0.110D-03 0.373D-04-0.792D-03-0.889D-03 Coeff-Com: -0.327D-02-0.260D-02-0.156D-01 0.414D-01 0.113D+00 0.425D+00 Coeff-Com: 0.444D+00 Coeff: 0.291D-04 0.101D-04 0.110D-03 0.373D-04-0.792D-03-0.889D-03 Coeff: -0.327D-02-0.260D-02-0.156D-01 0.414D-01 0.113D+00 0.425D+00 Coeff: 0.444D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=9.44D-09 MaxDP=1.76D-07 DE=-1.00D-11 OVMax= 2.59D-07 SCF Done: E(RB+HF-LYP) = -1682.72168372 A.U. after 13 cycles Convg = 0.9436D-08 -V/T = 2.4860 S**2 = 0.0000 KE= 1.132399447160D+03 PE=-8.162831824256D+03 EE= 3.321998434099D+03 Leave Link 502 at Fri Apr 11 13:55:17 2008, MaxMem= 1258291200 cpu: 129.3 (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 0.15990474D+02 Leave Link 801 at Fri Apr 11 13:55:17 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= 2751 LenP2D= 11243. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 13:55:24 2008, MaxMem= 1258291200 cpu: 20.1 (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 Fri Apr 11 13:55:25 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 Fri Apr 11 13:56:33 2008, MaxMem= 1258291200 cpu: 257.2 (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. 2 vectors were produced by pass 16. 2 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 8.63D-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 0.283759D+03 2 -0.180722D+02 0.354497D+03 3 0.368294D+01 -0.161868D+02 0.285021D+03 Isotropic polarizability for W= 0.000000 307.76 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 13:57:51 2008, MaxMem= 1258291200 cpu: 264.0 (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 -- -19.25279 -10.33751 -4.33556 -4.29706 -4.29673 Alpha occ. eigenvalues -- -4.29639 -4.29026 -4.27139 -4.27101 -4.27062 Alpha occ. eigenvalues -- -2.84688 -2.83926 -2.83919 -2.80686 -2.80557 Alpha occ. eigenvalues -- -2.80526 -2.80440 -2.80395 -2.80360 -2.80234 Alpha occ. eigenvalues -- -2.80205 -2.80148 -2.79991 -2.79601 -2.79601 Alpha occ. eigenvalues -- -2.78111 -2.78074 -2.78033 -2.77912 -2.77876 Alpha occ. eigenvalues -- -2.77839 -2.77630 -2.77593 -2.77555 -1.16822 Alpha occ. eigenvalues -- -0.57153 -0.46602 -0.46597 -0.46134 -0.34842 Alpha occ. eigenvalues -- -0.32476 -0.32463 -0.32241 -0.31832 -0.31827 Alpha occ. eigenvalues -- -0.31551 -0.30414 -0.30393 -0.29822 -0.29631 Alpha occ. eigenvalues -- -0.29630 -0.28497 -0.28474 -0.28191 -0.27461 Alpha occ. eigenvalues -- -0.27433 -0.27403 -0.26894 -0.26876 -0.26767 Alpha occ. eigenvalues -- -0.26591 -0.26585 -0.26464 -0.26455 -0.25853 Alpha occ. eigenvalues -- -0.25326 -0.25319 -0.25072 -0.24982 -0.24922 Alpha occ. eigenvalues -- -0.24837 -0.24818 -0.24794 -0.24767 -0.24628 Alpha occ. eigenvalues -- -0.24603 -0.24577 -0.24295 -0.23960 -0.23925 Alpha occ. eigenvalues -- -0.19766 -0.19675 -0.19639 Alpha virt. eigenvalues -- -0.08824 -0.08641 -0.08594 -0.06013 -0.05983 Alpha virt. eigenvalues -- -0.04381 -0.02005 -0.01701 -0.01688 -0.00617 Alpha virt. eigenvalues -- -0.00550 0.02092 0.02163 0.02295 0.03101 Alpha virt. eigenvalues -- 0.03645 0.03724 0.03941 0.04327 0.04502 Alpha virt. eigenvalues -- 0.04622 0.05838 0.05890 0.05941 0.07021 Alpha virt. eigenvalues -- 0.07161 0.07485 0.07678 0.08269 0.08334 Alpha virt. eigenvalues -- 0.08823 0.09555 0.09591 0.11442 0.11671 Alpha virt. eigenvalues -- 0.12101 0.12120 0.12724 0.12767 0.14809 Alpha virt. eigenvalues -- 0.14936 0.17349 0.17413 0.19075 0.21984 Alpha virt. eigenvalues -- 0.24390 0.25945 0.26015 0.26224 0.29564 Alpha virt. eigenvalues -- 0.29629 0.30460 0.30506 0.30694 0.32575 Alpha virt. eigenvalues -- 0.40758 0.40786 0.55701 0.61627 0.63596 Alpha virt. eigenvalues -- 0.63696 0.67591 0.69548 0.69699 0.70842 Alpha virt. eigenvalues -- 0.71281 0.71422 0.77361 0.77406 0.77483 Alpha virt. eigenvalues -- 0.81810 0.81824 0.82185 0.82888 0.83978 Alpha virt. eigenvalues -- 0.84265 0.87414 0.87435 0.88369 0.92064 Alpha virt. eigenvalues -- 0.96232 0.96297 0.97536 0.97635 1.01454 Alpha virt. eigenvalues -- 1.04381 1.06569 1.06878 1.09134 1.09241 Alpha virt. eigenvalues -- 1.12459 1.12598 1.13942 1.15538 1.25401 Alpha virt. eigenvalues -- 1.25731 1.30151 1.30648 1.30837 1.34059 Alpha virt. eigenvalues -- 1.34124 1.35168 1.51061 1.66644 2.03223 Alpha virt. eigenvalues -- 2.22152 2.22600 2.75625 2.76664 3.57117 Alpha virt. eigenvalues -- 10.44124 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.796779 -0.230688 -0.321462 -0.317639 -0.233150 0.044458 2 Cu -0.230688 19.000131 0.086734 0.058604 0.032178 0.016494 3 Cu -0.321462 0.086734 19.386005 -0.063398 0.057205 0.017449 4 Cu -0.317639 0.058604 -0.063398 19.369344 0.055952 0.017061 5 Cu -0.233150 0.032178 0.057205 0.055952 19.006265 0.016169 6 Cu 0.044458 0.016494 0.017449 0.017061 0.016169 18.838090 7 Cu -0.229847 0.032944 0.057418 0.086288 0.032120 0.016579 8 Cu -0.323539 0.055447 -0.064831 -0.063412 0.087186 0.015932 9 C 0.100342 0.027300 0.016416 0.016216 0.028191 -0.004336 10 O 0.068103 -0.014834 -0.002488 -0.002474 -0.014835 0.000111 7 8 9 10 1 Cu -0.229847 -0.323539 0.100342 0.068103 2 Cu 0.032944 0.055447 0.027300 -0.014834 3 Cu 0.057418 -0.064831 0.016416 -0.002488 4 Cu 0.086288 -0.063412 0.016216 -0.002474 5 Cu 0.032120 0.087186 0.028191 -0.014835 6 Cu 0.016579 0.015932 -0.004336 0.000111 7 Cu 18.993038 0.057475 0.027220 -0.014906 8 Cu 0.057475 19.394419 0.016972 -0.002629 9 C 0.027220 0.016972 5.102206 0.543079 10 O -0.014906 -0.002629 0.543079 7.547372 Mulliken atomic charges: 1 1 Cu 0.646644 2 Cu -0.064311 3 Cu -0.169047 4 Cu -0.156542 5 Cu -0.067281 6 Cu 0.021992 7 Cu -0.058329 8 Cu -0.173019 9 C 0.126393 10 O -0.106500 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.646644 2 Cu -0.064311 3 Cu -0.169047 4 Cu -0.156542 5 Cu -0.067281 6 Cu 0.021992 7 Cu -0.058329 8 Cu -0.173019 9 C 0.126393 10 O -0.106500 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.035952 2 Cu -0.048710 3 Cu 0.066502 4 Cu 0.065598 5 Cu -0.054802 6 Cu -0.129679 7 Cu -0.036849 8 Cu 0.066256 9 C 0.793698 10 O -0.757966 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.035952 2 Cu -0.048710 3 Cu 0.066502 4 Cu 0.065598 5 Cu -0.054802 6 Cu -0.129679 7 Cu -0.036849 8 Cu 0.066256 9 C 0.793698 10 O -0.757966 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4272.7100 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.0761 Y= -1.0463 Z= -0.0772 Tot= 1.0518 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.2689 YY= -111.5231 ZZ= -113.5611 XY= 0.1945 XZ= 0.0768 YZ= 0.0140 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.4846 YY= 1.2613 ZZ= -0.7767 XY= 0.1945 XZ= 0.0768 YZ= 0.0140 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 23.9733 YYY= 308.7749 ZZZ= -23.6322 XYY= -8.5810 XXY= 82.2659 XXZ= -21.9614 XZZ= 12.6660 YZZ= 88.1206 YYZ= -25.8269 XYZ= 2.0796 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1195.5063 YYYY= -2921.0850 ZZZZ= -1183.2424 XXXY= 114.2697 XXXZ= -35.2653 YYYX= 197.8311 YYYZ= 224.3641 ZZZX= -17.5179 ZZZY= 122.0626 XXYY= -617.4308 XXZZ= -405.3475 YYZZ= -652.0509 XXYZ= 72.6177 YYXZ= -17.7125 ZZXY= 28.4100 N-N= 2.025712259277D+03 E-N=-8.162831839964D+03 KE= 1.132399447160D+03 Exact polarizability: 283.759 -18.072 354.497 3.683 -16.187 285.021 Approx polarizability: 578.528 -58.760 809.973 12.645 -53.308 579.536 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 13:57:52 2008, MaxMem= 1258291200 cpu: 1.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-2.99326728D-02-4.11626912D-01-3.03559178D-02 Polarizability= 2.83759442D+02-1.80721933D+01 3.54496559D+02 3.68294163D+00-1.61868199D+01 2.85020968D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000221447 0.000584918 -0.000199435 2 29 0.000004952 0.000167545 -0.000111815 3 29 0.000266962 -0.000235832 -0.000052252 4 29 -0.000195042 -0.000452624 -0.000012266 5 29 -0.000031094 0.000215520 0.000054441 6 29 0.000032799 0.000059589 0.000032106 7 29 -0.000046682 0.000113012 -0.000027804 8 29 0.000093604 -0.000162663 0.000242848 9 6 0.001015266 -0.004174213 0.000950770 10 8 -0.000919318 0.003884747 -0.000876594 ------------------------------------------------------------------- Cartesian Forces: Max 0.004174213 RMS 0.001111662 Leave Link 716 at Fri Apr 11 13:57:52 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=2 IStep= 1. Leave Link 106 at Fri Apr 11 13:57:52 2008, MaxMem= 1258291200 cpu: 0.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0000 -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 2026.2015875753 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 Fri Apr 11 13:57:53 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2751 LenP2D= 11243. 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= 617 NPtTot= 106390 NUsed= 110750 NTot= 110782 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 13:57:56 2008, MaxMem= 1258291200 cpu: 8.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2026.6909158736 hartrees. Leave Link 303 at Fri Apr 11 13:57:56 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 Fri Apr 11 13:57:57 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. 110749 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234396. IEnd= 284432 IEndB= 284432 NGot=1258291200 MDV=1012634615 LenX=1012634615 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= -1682.72201056396 DIIS: error= 1.21D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.72201056396 IErMin= 1 ErrMin= 1.21D-03 ErrMax= 1.21D-03 EMaxC= 1.00D-01 BMatC= 1.15D-04 BMatP= 1.15D-04 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.21D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.106 Goal= None Shift= 0.000 GapD= 0.106 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1. RMSDP=5.95D-04 MaxDP=9.59D-03 OVMax= 4.04D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.72094378834 Delta-E= 0.001066775621 Rises=F Damp=F DIIS: error= 2.19D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1682.72201056396 IErMin= 1 ErrMin= 1.21D-03 ErrMax= 2.19D-03 EMaxC= 1.00D-01 BMatC= 7.22D-04 BMatP= 1.15D-04 IDIUse=3 WtCom= 1.76D-01 WtEn= 8.24D-01 Coeff-Com: 0.745D+00 0.255D+00 Coeff-En: 0.714D+00 0.286D+00 Coeff: 0.719D+00 0.281D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=3.57D-04 MaxDP=4.86D-03 DE= 1.07D-03 OVMax= 2.10D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.72256708113 Delta-E= -0.001623292788 Rises=F Damp=F DIIS: error= 4.10D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.72256708113 IErMin= 3 ErrMin= 4.10D-04 ErrMax= 4.10D-04 EMaxC= 1.00D-01 BMatC= 5.90D-05 BMatP= 1.15D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.10D-03 Coeff-Com: 0.417D+00 0.160D+00 0.423D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.416D+00 0.159D+00 0.425D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=7.94D-05 MaxDP=1.54D-03 DE=-1.62D-03 OVMax= 2.81D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.72262116239 Delta-E= -0.000054081257 Rises=F Damp=F DIIS: error= 1.67D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.72262116239 IErMin= 4 ErrMin= 1.67D-04 ErrMax= 1.67D-04 EMaxC= 1.00D-01 BMatC= 8.14D-06 BMatP= 5.90D-05 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.67D-03 Coeff-Com: 0.153D+00 0.385D-01 0.246D+00 0.563D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.152D+00 0.384D-01 0.246D+00 0.564D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=3.62D-05 MaxDP=5.48D-04 DE=-5.41D-05 OVMax= 1.26D-03 Cycle 5 Pass 1 IDiag 1: E= -1682.72262726848 Delta-E= -0.000006106095 Rises=F Damp=F DIIS: error= 7.57D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.72262726848 IErMin= 5 ErrMin= 7.57D-05 ErrMax= 7.57D-05 EMaxC= 1.00D-01 BMatC= 1.80D-06 BMatP= 8.14D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.283D-01-0.619D-02 0.500D-01 0.361D+00 0.567D+00 Coeff: 0.283D-01-0.619D-02 0.500D-01 0.361D+00 0.567D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=1.56D-05 MaxDP=2.49D-04 DE=-6.11D-06 OVMax= 4.32D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.72262825130 Delta-E= -0.000000982822 Rises=F Damp=F DIIS: error= 4.85D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.72262825130 IErMin= 6 ErrMin= 4.85D-05 ErrMax= 4.85D-05 EMaxC= 1.00D-01 BMatC= 7.66D-07 BMatP= 1.80D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.499D-02-0.880D-02 0.305D-02 0.202D+00 0.474D+00 0.325D+00 Coeff: 0.499D-02-0.880D-02 0.305D-02 0.202D+00 0.474D+00 0.325D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=6.27D-06 MaxDP=1.12D-04 DE=-9.83D-07 OVMax= 2.22D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.72262886288 Delta-E= -0.000000611578 Rises=F Damp=F DIIS: error= 1.35D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.72262886288 IErMin= 7 ErrMin= 1.35D-05 ErrMax= 1.35D-05 EMaxC= 1.00D-01 BMatC= 6.02D-08 BMatP= 7.66D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.203D-02-0.531D-02-0.110D-01 0.714D-01 0.258D+00 0.213D+00 Coeff-Com: 0.477D+00 Coeff: -0.203D-02-0.531D-02-0.110D-01 0.714D-01 0.258D+00 0.213D+00 Coeff: 0.477D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=2.87D-06 MaxDP=5.12D-05 DE=-6.12D-07 OVMax= 8.60D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.72262890208 Delta-E= -0.000000039196 Rises=F Damp=F DIIS: error= 9.94D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.72262890208 IErMin= 8 ErrMin= 9.94D-06 ErrMax= 9.94D-06 EMaxC= 1.00D-01 BMatC= 2.48D-08 BMatP= 6.02D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.182D-02-0.251D-02-0.868D-02 0.229D-01 0.130D+00 0.108D+00 Coeff-Com: 0.395D+00 0.357D+00 Coeff: -0.182D-02-0.251D-02-0.868D-02 0.229D-01 0.130D+00 0.108D+00 Coeff: 0.395D+00 0.357D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=1.19D-06 MaxDP=2.09D-05 DE=-3.92D-08 OVMax= 3.98D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.72262892309 Delta-E= -0.000000021018 Rises=F Damp=F DIIS: error= 1.11D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.72262892309 IErMin= 9 ErrMin= 1.11D-06 ErrMax= 1.11D-06 EMaxC= 1.00D-01 BMatC= 5.85D-10 BMatP= 2.48D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.996D-03-0.528D-03-0.387D-02-0.234D-02 0.255D-01 0.221D-01 Coeff-Com: 0.123D+00 0.166D+00 0.672D+00 Coeff: -0.996D-03-0.528D-03-0.387D-02-0.234D-02 0.255D-01 0.221D-01 Coeff: 0.123D+00 0.166D+00 0.672D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=4.38D-07 MaxDP=5.45D-06 DE=-2.10D-08 OVMax= 1.62D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.72262892379 Delta-E= -0.000000000698 Rises=F Damp=F DIIS: error= 6.67D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.72262892379 IErMin=10 ErrMin= 6.67D-07 ErrMax= 6.67D-07 EMaxC= 1.00D-01 BMatC= 2.17D-10 BMatP= 5.85D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.237D-03 0.933D-04-0.902D-03-0.476D-02-0.506D-02-0.301D-02 Coeff-Com: 0.146D-01 0.513D-01 0.435D+00 0.513D+00 Coeff: -0.237D-03 0.933D-04-0.902D-03-0.476D-02-0.506D-02-0.301D-02 Coeff: 0.146D-01 0.513D-01 0.435D+00 0.513D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=1.96D-07 MaxDP=3.93D-06 DE=-6.98D-10 OVMax= 4.01D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.72262892398 Delta-E= -0.000000000186 Rises=F Damp=F DIIS: error= 4.32D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.72262892398 IErMin=11 ErrMin= 4.32D-07 ErrMax= 4.32D-07 EMaxC= 1.00D-01 BMatC= 5.97D-11 BMatP= 2.17D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.936D-04 0.756D-04-0.280D-03-0.263D-02-0.531D-02-0.364D-02 Coeff-Com: -0.294D-02 0.166D-01 0.194D+00 0.385D+00 0.419D+00 Coeff: -0.936D-04 0.756D-04-0.280D-03-0.263D-02-0.531D-02-0.364D-02 Coeff: -0.294D-02 0.166D-01 0.194D+00 0.385D+00 0.419D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=8.81D-08 MaxDP=1.74D-06 DE=-1.86D-10 OVMax= 3.94D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.72262892403 Delta-E= -0.000000000055 Rises=F Damp=F DIIS: error= 1.22D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.72262892403 IErMin=12 ErrMin= 1.22D-07 ErrMax= 1.22D-07 EMaxC= 1.00D-01 BMatC= 3.23D-12 BMatP= 5.97D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.466D-04 0.188D-04 0.197D-03-0.145D-03-0.179D-02-0.198D-02 Coeff-Com: -0.599D-02-0.374D-02-0.218D-01 0.832D-01 0.177D+00 0.775D+00 Coeff: 0.466D-04 0.188D-04 0.197D-03-0.145D-03-0.179D-02-0.198D-02 Coeff: -0.599D-02-0.374D-02-0.218D-01 0.832D-01 0.177D+00 0.775D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=3.10D-08 MaxDP=6.36D-07 DE=-5.55D-11 OVMax= 1.63D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.72262892404 Delta-E= -0.000000000008 Rises=F Damp=F DIIS: error= 4.44D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.72262892404 IErMin=13 ErrMin= 4.44D-08 ErrMax= 4.44D-08 EMaxC= 1.00D-01 BMatC= 4.62D-13 BMatP= 3.23D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.298D-04 0.690D-05 0.124D-03 0.129D-04-0.819D-03-0.103D-02 Coeff-Com: -0.340D-02-0.263D-02-0.195D-01 0.356D-01 0.932D-01 0.485D+00 Coeff-Com: 0.414D+00 Coeff: 0.298D-04 0.690D-05 0.124D-03 0.129D-04-0.819D-03-0.103D-02 Coeff: -0.340D-02-0.263D-02-0.195D-01 0.356D-01 0.932D-01 0.485D+00 Coeff: 0.414D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=8.96D-09 MaxDP=1.90D-07 DE=-7.73D-12 OVMax= 2.40D-07 SCF Done: E(RB+HF-LYP) = -1682.72262892 A.U. after 13 cycles Convg = 0.8962D-08 -V/T = 2.4859 S**2 = 0.0000 KE= 1.132424218029D+03 PE=-8.163859659643D+03 EE= 3.322021896817D+03 Leave Link 502 at Fri Apr 11 13:58:41 2008, MaxMem= 1258291200 cpu: 122.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.18136139D+02 Leave Link 801 at Fri Apr 11 13:58:41 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= 2751 LenP2D= 11243. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 13:58:47 2008, MaxMem= 1258291200 cpu: 20.4 (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 Fri Apr 11 13:58:48 2008, MaxMem= 1258291200 cpu: 1.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 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 Fri Apr 11 13:59:57 2008, MaxMem= 1258291200 cpu: 258.2 (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. 2 vectors were produced by pass 16. 2 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 5.23D-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 0.283455D+03 2 -0.153288D+02 0.343293D+03 3 0.363861D+01 -0.140169D+02 0.283002D+03 Isotropic polarizability for W= 0.000000 303.25 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:01:10 2008, MaxMem= 1258291200 cpu: 255.5 (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 -- -19.26253 -10.34787 -4.34196 -4.30193 -4.30166 Alpha occ. eigenvalues -- -4.30156 -4.29305 -4.27715 -4.27675 -4.27670 Alpha occ. eigenvalues -- -2.85331 -2.84562 -2.84559 -2.81180 -2.81046 Alpha occ. eigenvalues -- -2.81034 -2.80932 -2.80891 -2.80879 -2.80729 Alpha occ. eigenvalues -- -2.80715 -2.80663 -2.80271 -2.79890 -2.79889 Alpha occ. eigenvalues -- -2.78692 -2.78652 -2.78646 -2.78477 -2.78439 Alpha occ. eigenvalues -- -2.78437 -2.78198 -2.78160 -2.78156 -1.17963 Alpha occ. eigenvalues -- -0.58441 -0.47843 -0.47839 -0.47126 -0.35270 Alpha occ. eigenvalues -- -0.33075 -0.33069 -0.32855 -0.32457 -0.32452 Alpha occ. eigenvalues -- -0.32067 -0.30865 -0.30845 -0.30375 -0.30133 Alpha occ. eigenvalues -- -0.30130 -0.29004 -0.28992 -0.28689 -0.27992 Alpha occ. eigenvalues -- -0.27935 -0.27927 -0.27353 -0.27346 -0.27103 Alpha occ. eigenvalues -- -0.26993 -0.26983 -0.26896 -0.26887 -0.26373 Alpha occ. eigenvalues -- -0.25890 -0.25880 -0.25642 -0.25528 -0.25457 Alpha occ. eigenvalues -- -0.25396 -0.25387 -0.25341 -0.25330 -0.25190 Alpha occ. eigenvalues -- -0.25173 -0.25155 -0.24852 -0.24465 -0.24449 Alpha occ. eigenvalues -- -0.20370 -0.20343 -0.20009 Alpha virt. eigenvalues -- -0.09272 -0.09238 -0.09222 -0.06811 -0.06692 Alpha virt. eigenvalues -- -0.04180 -0.02558 -0.02366 -0.02236 -0.01298 Alpha virt. eigenvalues -- -0.01175 0.01589 0.01689 0.02235 0.02328 Alpha virt. eigenvalues -- 0.02727 0.03497 0.03514 0.03774 0.03962 Alpha virt. eigenvalues -- 0.05222 0.05594 0.05637 0.05727 0.06467 Alpha virt. eigenvalues -- 0.06524 0.06783 0.07412 0.07486 0.07990 Alpha virt. eigenvalues -- 0.08168 0.09167 0.09174 0.10869 0.11410 Alpha virt. eigenvalues -- 0.11757 0.11767 0.12186 0.12258 0.14276 Alpha virt. eigenvalues -- 0.14401 0.17200 0.17275 0.18506 0.21622 Alpha virt. eigenvalues -- 0.23289 0.25318 0.25403 0.25488 0.29201 Alpha virt. eigenvalues -- 0.29340 0.30114 0.30171 0.30213 0.31813 Alpha virt. eigenvalues -- 0.39602 0.39634 0.54276 0.61124 0.62931 Alpha virt. eigenvalues -- 0.63021 0.66113 0.68884 0.69002 0.70256 Alpha virt. eigenvalues -- 0.70774 0.70870 0.76384 0.76423 0.76781 Alpha virt. eigenvalues -- 0.81312 0.81356 0.81377 0.82269 0.83308 Alpha virt. eigenvalues -- 0.83590 0.86944 0.86951 0.88136 0.91514 Alpha virt. eigenvalues -- 0.95689 0.95712 0.96955 0.97069 1.00797 Alpha virt. eigenvalues -- 1.03995 1.06032 1.06349 1.08680 1.08761 Alpha virt. eigenvalues -- 1.11954 1.12054 1.13386 1.15002 1.24844 Alpha virt. eigenvalues -- 1.25128 1.29688 1.30122 1.30269 1.33696 Alpha virt. eigenvalues -- 1.33711 1.34616 1.50736 1.65409 2.03135 Alpha virt. eigenvalues -- 2.21789 2.22135 2.74681 2.76015 3.56456 Alpha virt. eigenvalues -- 10.43114 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.864532 -0.240916 -0.333861 -0.333789 -0.242692 0.035650 2 Cu -0.240916 19.030824 0.090101 0.057137 0.032647 0.016255 3 Cu -0.333861 0.090101 19.357142 -0.056730 0.055272 0.024742 4 Cu -0.333789 0.057137 -0.056730 19.364903 0.054403 0.026486 5 Cu -0.242692 0.032647 0.055272 0.054403 19.029152 0.015771 6 Cu 0.035650 0.016255 0.024742 0.026486 0.015771 18.754405 7 Cu -0.241245 0.036542 0.055701 0.088813 0.034626 0.016584 8 Cu -0.334124 0.053452 -0.053784 -0.055223 0.090986 0.022011 9 C 0.107689 0.027140 0.016783 0.016687 0.028029 -0.003673 10 O 0.069010 -0.015412 -0.002610 -0.002628 -0.015390 0.000069 7 8 9 10 1 Cu -0.241245 -0.334124 0.107689 0.069010 2 Cu 0.036542 0.053452 0.027140 -0.015412 3 Cu 0.055701 -0.053784 0.016783 -0.002610 4 Cu 0.088813 -0.055223 0.016687 -0.002628 5 Cu 0.034626 0.090986 0.028029 -0.015390 6 Cu 0.016584 0.022011 -0.003673 0.000069 7 Cu 19.039281 0.055580 0.027185 -0.015560 8 Cu 0.055580 19.352282 0.017323 -0.002732 9 C 0.027185 0.017323 5.105702 0.536626 10 O -0.015560 -0.002732 0.536626 7.583919 Mulliken atomic charges: 1 1 Cu 0.649747 2 Cu -0.087769 3 Cu -0.152756 4 Cu -0.160058 5 Cu -0.082803 6 Cu 0.091700 7 Cu -0.097507 8 Cu -0.145771 9 C 0.120508 10 O -0.135292 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.649747 2 Cu -0.087769 3 Cu -0.152756 4 Cu -0.160058 5 Cu -0.082803 6 Cu 0.091700 7 Cu -0.097507 8 Cu -0.145771 9 C 0.120508 10 O -0.135292 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.062770 2 Cu -0.076559 3 Cu 0.079615 4 Cu 0.081195 5 Cu -0.069700 6 Cu -0.054249 7 Cu -0.089726 8 Cu 0.078219 9 C 0.778349 10 O -0.789915 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.062770 2 Cu -0.076559 3 Cu 0.079615 4 Cu 0.081195 5 Cu -0.069700 6 Cu -0.054249 7 Cu -0.089726 8 Cu 0.078219 9 C 0.778349 10 O -0.789915 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4276.4545 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.2364 Y= 2.2997 Z= -0.2221 Tot= 2.3225 Quadrupole moment (field-independent basis, Debye-Ang): XX= -114.1308 YY= -115.6685 ZZ= -113.5901 XY= -0.6227 XZ= -0.0222 YZ= 0.0312 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.3323 YY= -1.2054 ZZ= 0.8730 XY= -0.6227 XZ= -0.0222 YZ= 0.0312 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 24.1407 YYY= 355.5672 ZZZ= -24.5713 XYY= -10.9359 XXY= 93.2773 XXZ= -21.2150 XZZ= 12.0391 YZZ= 96.9267 YYZ= -29.4290 XYZ= 3.2991 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1208.7490 YYYY= -3022.4088 ZZZZ= -1185.1671 XXXY= 104.7650 XXXZ= -35.0983 YYYX= 189.9386 YYYZ= 229.9341 ZZZX= -17.9072 ZZZY= 125.9486 XXYY= -637.4771 XXZZ= -407.4727 YYZZ= -662.6338 XXYZ= 66.9909 YYXZ= -20.9831 ZZXY= 28.5742 N-N= 2.026690915874D+03 E-N=-8.163859642340D+03 KE= 1.132424218029D+03 Exact polarizability: 283.455 -15.329 343.293 3.639 -14.017 283.002 Approx polarizability: 573.046 -57.490 793.596 13.118 -52.388 572.598 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:01:11 2008, MaxMem= 1258291200 cpu: 1.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-9.29925947D-02 9.04783967D-01-8.73694972D-02 Polarizability= 2.83455131D+02-1.53287937D+01 3.43292533D+02 3.63860527D+00-1.40168538D+01 2.83001582D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000315171 -0.000629673 0.000293437 2 29 0.000019920 -0.000190738 0.000062061 3 29 -0.000342863 0.000323865 0.000081787 4 29 0.000199385 0.000549920 0.000017741 5 29 0.000064308 -0.000206073 -0.000041968 6 29 -0.000052397 -0.000061964 -0.000042937 7 29 0.000000590 -0.000220673 0.000042718 8 29 -0.000121743 0.000221960 -0.000317660 9 6 -0.001054243 0.004145774 -0.001009230 10 8 0.000971872 -0.003932399 0.000914051 ------------------------------------------------------------------- Cartesian Forces: Max 0.004145774 RMS 0.001125873 Leave Link 716 at Fri Apr 11 14:01:11 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=2 IStep= 2. Leave Link 106 at Fri Apr 11 14:01:11 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 2026.2015875753 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 Fri Apr 11 14:01:12 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= 2751 LenP2D= 11243. 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= 617 NPtTot= 106390 NUsed= 110750 NTot= 110782 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 14:01:14 2008, MaxMem= 1258291200 cpu: 8.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2026.2674967616 hartrees. Leave Link 303 at Fri Apr 11 14:01:14 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 Fri Apr 11 14:01:15 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. 110749 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234396. IEnd= 284432 IEndB= 284432 NGot=1258291200 MDV=1012634615 LenX=1012634615 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= -1682.72164782115 DIIS: error= 1.26D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.72164782115 IErMin= 1 ErrMin= 1.26D-03 ErrMax= 1.26D-03 EMaxC= 1.00D-01 BMatC= 9.11D-05 BMatP= 9.11D-05 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.26D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.108 Goal= None Shift= 0.000 GapD= 0.108 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1. RMSDP=5.25D-04 MaxDP=9.96D-03 OVMax= 4.46D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.72132500592 Delta-E= 0.000322815238 Rises=F Damp=F DIIS: error= 1.56D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1682.72164782115 IErMin= 1 ErrMin= 1.26D-03 ErrMax= 1.56D-03 EMaxC= 1.00D-01 BMatC= 3.26D-04 BMatP= 9.11D-05 IDIUse=3 WtCom= 2.02D-01 WtEn= 7.98D-01 Coeff-Com: 0.674D+00 0.326D+00 Coeff-En: 0.620D+00 0.380D+00 Coeff: 0.631D+00 0.369D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=3.53D-04 MaxDP=5.90D-03 DE= 3.23D-04 OVMax= 1.86D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.72209431510 Delta-E= -0.000769309187 Rises=F Damp=F DIIS: error= 5.39D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.72209431510 IErMin= 3 ErrMin= 5.39D-04 ErrMax= 5.39D-04 EMaxC= 1.00D-01 BMatC= 8.62D-05 BMatP= 9.11D-05 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.39D-03 Coeff-Com: 0.420D+00 0.265D+00 0.316D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.418D+00 0.263D+00 0.319D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=7.59D-05 MaxDP=1.47D-03 DE=-7.69D-04 OVMax= 1.21D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.72215334569 Delta-E= -0.000059030583 Rises=F Damp=F DIIS: error= 4.32D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.72215334569 IErMin= 4 ErrMin= 4.32D-05 ErrMax= 4.32D-05 EMaxC= 1.00D-01 BMatC= 1.36D-06 BMatP= 8.62D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.115D+00 0.587D-01 0.989D-01 0.728D+00 Coeff: 0.115D+00 0.587D-01 0.989D-01 0.728D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=2.78D-05 MaxDP=6.09D-04 DE=-5.90D-05 OVMax= 8.00D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.72215450401 Delta-E= -0.000001158319 Rises=F Damp=F DIIS: error= 4.75D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.72215450401 IErMin= 4 ErrMin= 4.32D-05 ErrMax= 4.75D-05 EMaxC= 1.00D-01 BMatC= 1.25D-06 BMatP= 1.36D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.152D-01-0.414D-02 0.380D-02 0.499D+00 0.486D+00 Coeff: 0.152D-01-0.414D-02 0.380D-02 0.499D+00 0.486D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.37D-05 MaxDP=2.11D-04 DE=-1.16D-06 OVMax= 2.03D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.72215517444 Delta-E= -0.000000670435 Rises=F Damp=F DIIS: error= 3.35D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.72215517444 IErMin= 6 ErrMin= 3.35D-05 ErrMax= 3.35D-05 EMaxC= 1.00D-01 BMatC= 2.81D-07 BMatP= 1.25D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.657D-02-0.115D-01-0.200D-01 0.137D+00 0.366D+00 0.534D+00 Coeff: -0.657D-02-0.115D-01-0.200D-01 0.137D+00 0.366D+00 0.534D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=6.14D-06 MaxDP=7.60D-05 DE=-6.70D-07 OVMax= 2.31D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.72215540809 Delta-E= -0.000000233646 Rises=F Damp=F DIIS: error= 8.23D-06 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.72215540809 IErMin= 7 ErrMin= 8.23D-06 ErrMax= 8.23D-06 EMaxC= 1.00D-01 BMatC= 1.90D-08 BMatP= 2.81D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.470D-02-0.731D-02-0.130D-01 0.655D-01 0.220D+00 0.361D+00 Coeff-Com: 0.378D+00 Coeff: -0.470D-02-0.731D-02-0.130D-01 0.655D-01 0.220D+00 0.361D+00 Coeff: 0.378D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.47D-06 MaxDP=2.45D-05 DE=-2.34D-07 OVMax= 7.93D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.72215542814 Delta-E= -0.000000020054 Rises=F Damp=F DIIS: error= 5.19D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.72215542814 IErMin= 8 ErrMin= 5.19D-06 ErrMax= 5.19D-06 EMaxC= 1.00D-01 BMatC= 5.02D-09 BMatP= 1.90D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.212D-02-0.312D-02-0.531D-02 0.178D-01 0.882D-01 0.163D+00 Coeff-Com: 0.316D+00 0.426D+00 Coeff: -0.212D-02-0.312D-02-0.531D-02 0.178D-01 0.882D-01 0.163D+00 Coeff: 0.316D+00 0.426D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=7.05D-07 MaxDP=1.44D-05 DE=-2.01D-08 OVMax= 1.88D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.72215543150 Delta-E= -0.000000003359 Rises=F Damp=F DIIS: error= 1.73D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.72215543150 IErMin= 9 ErrMin= 1.73D-06 ErrMax= 1.73D-06 EMaxC= 1.00D-01 BMatC= 1.28D-09 BMatP= 5.02D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.464D-03-0.442D-03-0.599D-03-0.804D-02 0.418D-02 0.230D-01 Coeff-Com: 0.147D+00 0.360D+00 0.475D+00 Coeff: -0.464D-03-0.442D-03-0.599D-03-0.804D-02 0.418D-02 0.230D-01 Coeff: 0.147D+00 0.360D+00 0.475D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=3.75D-07 MaxDP=5.02D-06 DE=-3.36D-09 OVMax= 2.10D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.72215543296 Delta-E= -0.000000001466 Rises=F Damp=F DIIS: error= 5.21D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.72215543296 IErMin=10 ErrMin= 5.21D-07 ErrMax= 5.21D-07 EMaxC= 1.00D-01 BMatC= 9.67D-11 BMatP= 1.28D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.497D-05 0.135D-03 0.156D-03-0.740D-02-0.815D-02-0.545D-02 Coeff-Com: 0.540D-01 0.185D+00 0.266D+00 0.515D+00 Coeff: 0.497D-05 0.135D-03 0.156D-03-0.740D-02-0.815D-02-0.545D-02 Coeff: 0.540D-01 0.185D+00 0.266D+00 0.515D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.67D-07 MaxDP=3.38D-06 DE=-1.47D-09 OVMax= 7.03D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.72215543306 Delta-E= -0.000000000093 Rises=F Damp=F DIIS: error= 4.35D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.72215543306 IErMin=11 ErrMin= 4.35D-07 ErrMax= 4.35D-07 EMaxC= 1.00D-01 BMatC= 6.15D-11 BMatP= 9.67D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.125D-03 0.225D-03 0.245D-03-0.382D-02-0.785D-02-0.116D-01 Coeff-Com: 0.577D-02 0.655D-01 0.995D-01 0.435D+00 0.417D+00 Coeff: 0.125D-03 0.225D-03 0.245D-03-0.382D-02-0.785D-02-0.116D-01 Coeff: 0.577D-02 0.655D-01 0.995D-01 0.435D+00 0.417D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=7.41D-08 MaxDP=1.82D-06 DE=-9.32D-11 OVMax= 2.02D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.72215543310 Delta-E= -0.000000000046 Rises=F Damp=F DIIS: error= 7.71D-08 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.72215543310 IErMin=12 ErrMin= 7.71D-08 ErrMax= 7.71D-08 EMaxC= 1.00D-01 BMatC= 2.49D-12 BMatP= 6.15D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.710D-04 0.948D-04 0.808D-04-0.826D-03-0.245D-02-0.510D-02 Coeff-Com: -0.343D-02 0.254D-02 0.475D-02 0.141D+00 0.202D+00 0.661D+00 Coeff: 0.710D-04 0.948D-04 0.808D-04-0.826D-03-0.245D-02-0.510D-02 Coeff: -0.343D-02 0.254D-02 0.475D-02 0.141D+00 0.202D+00 0.661D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=2.55D-08 MaxDP=3.73D-07 DE=-4.59D-11 OVMax= 1.05D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.72215543310 Delta-E= 0.000000000002 Rises=F Damp=F DIIS: error= 4.66D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=12 EnMin= -1682.72215543310 IErMin=13 ErrMin= 4.66D-08 ErrMax= 4.66D-08 EMaxC= 1.00D-01 BMatC= 3.79D-13 BMatP= 2.49D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.196D-04 0.190D-04 0.115D-04 0.347D-04-0.353D-03-0.125D-02 Coeff-Com: -0.223D-02-0.524D-02-0.845D-02 0.191D-01 0.494D-01 0.367D+00 Coeff-Com: 0.582D+00 Coeff: 0.196D-04 0.190D-04 0.115D-04 0.347D-04-0.353D-03-0.125D-02 Coeff: -0.223D-02-0.524D-02-0.845D-02 0.191D-01 0.494D-01 0.367D+00 Coeff: 0.582D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=1.01D-08 MaxDP=1.94D-07 DE= 1.82D-12 OVMax= 4.26D-07 Cycle 14 Pass 1 IDiag 1: E= -1682.72215543310 Delta-E= 0.000000000002 Rises=F Damp=F DIIS: error= 3.03D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=12 EnMin= -1682.72215543310 IErMin=14 ErrMin= 3.03D-08 ErrMax= 3.03D-08 EMaxC= 1.00D-01 BMatC= 1.82D-13 BMatP= 3.79D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.182D-05-0.262D-05-0.720D-05 0.156D-03 0.163D-03 0.853D-04 Coeff-Com: -0.120D-02-0.400D-02-0.694D-02-0.108D-01-0.243D-02 0.112D+00 Coeff-Com: 0.454D+00 0.459D+00 Coeff: 0.182D-05-0.262D-05-0.720D-05 0.156D-03 0.163D-03 0.853D-04 Coeff: -0.120D-02-0.400D-02-0.694D-02-0.108D-01-0.243D-02 0.112D+00 Coeff: 0.454D+00 0.459D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=6.19D-09 MaxDP=1.12D-07 DE= 2.27D-12 OVMax= 2.54D-07 SCF Done: E(RB+HF-LYP) = -1682.72215543 A.U. after 14 cycles Convg = 0.6187D-08 -V/T = 2.4860 S**2 = 0.0000 KE= 1.132414564140D+03 PE=-8.163417415129D+03 EE= 3.322013198794D+03 Leave Link 502 at Fri Apr 11 14:01:55 2008, MaxMem= 1258291200 cpu: 135.4 (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 0.18511886D+02 Leave Link 801 at Fri Apr 11 14:01:55 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= 2751 LenP2D= 11243. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 14:02:01 2008, MaxMem= 1258291200 cpu: 20.2 (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 Fri Apr 11 14:02:02 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 Fri Apr 11 14:03:11 2008, MaxMem= 1258291200 cpu: 256.8 (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= 9.42D-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 0.281914D+03 2 -0.166849D+02 0.347202D+03 3 0.415378D+01 -0.141083D+02 0.285762D+03 Isotropic polarizability for W= 0.000000 304.96 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:04:26 2008, MaxMem= 1258291200 cpu: 250.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.25853 -10.34364 -4.33920 -4.30037 -4.29918 Alpha occ. eigenvalues -- -4.29899 -4.29172 -4.27554 -4.27384 -4.27356 Alpha occ. eigenvalues -- -2.85054 -2.84291 -2.84279 -2.80985 -2.80838 Alpha occ. eigenvalues -- -2.80782 -2.80765 -2.80648 -2.80623 -2.80561 Alpha occ. eigenvalues -- -2.80459 -2.80412 -2.80138 -2.79754 -2.79752 Alpha occ. eigenvalues -- -2.78530 -2.78358 -2.78331 -2.78315 -2.78155 Alpha occ. eigenvalues -- -2.78130 -2.78038 -2.77873 -2.77847 -1.17499 Alpha occ. eigenvalues -- -0.57918 -0.47341 -0.47335 -0.46718 -0.35077 Alpha occ. eigenvalues -- -0.32829 -0.32794 -0.32589 -0.32187 -0.32180 Alpha occ. eigenvalues -- -0.31840 -0.30665 -0.30643 -0.30137 -0.29909 Alpha occ. eigenvalues -- -0.29905 -0.28804 -0.28742 -0.28471 -0.27760 Alpha occ. eigenvalues -- -0.27740 -0.27667 -0.27165 -0.27115 -0.26946 Alpha occ. eigenvalues -- -0.26815 -0.26802 -0.26714 -0.26686 -0.26143 Alpha occ. eigenvalues -- -0.25672 -0.25634 -0.25381 -0.25303 -0.25251 Alpha occ. eigenvalues -- -0.25152 -0.25138 -0.25098 -0.25059 -0.24984 Alpha occ. eigenvalues -- -0.24895 -0.24872 -0.24601 -0.24271 -0.24187 Alpha occ. eigenvalues -- -0.20182 -0.19988 -0.19833 Alpha virt. eigenvalues -- -0.09078 -0.09006 -0.08907 -0.06523 -0.06353 Alpha virt. eigenvalues -- -0.04212 -0.02342 -0.02148 -0.01933 -0.01129 Alpha virt. eigenvalues -- -0.00759 0.01523 0.01918 0.02525 0.02584 Alpha virt. eigenvalues -- 0.03055 0.03771 0.03878 0.04096 0.04221 Alpha virt. eigenvalues -- 0.04951 0.05562 0.05701 0.05811 0.06676 Alpha virt. eigenvalues -- 0.06966 0.07250 0.07607 0.07728 0.08116 Alpha virt. eigenvalues -- 0.08281 0.09232 0.09288 0.11258 0.11408 Alpha virt. eigenvalues -- 0.11958 0.11997 0.12440 0.12532 0.14533 Alpha virt. eigenvalues -- 0.14574 0.17199 0.17389 0.18769 0.21792 Alpha virt. eigenvalues -- 0.23766 0.25615 0.25682 0.25753 0.29278 Alpha virt. eigenvalues -- 0.29562 0.30205 0.30292 0.30521 0.32134 Alpha virt. eigenvalues -- 0.40078 0.40102 0.54858 0.61348 0.63213 Alpha virt. eigenvalues -- 0.63316 0.66719 0.69146 0.69325 0.70499 Alpha virt. eigenvalues -- 0.70954 0.71144 0.76773 0.76893 0.77036 Alpha virt. eigenvalues -- 0.81549 0.81583 0.81677 0.82544 0.83590 Alpha virt. eigenvalues -- 0.83878 0.87133 0.87178 0.88253 0.91753 Alpha virt. eigenvalues -- 0.95869 0.96024 0.97214 0.97305 1.01081 Alpha virt. eigenvalues -- 1.04172 1.06273 1.06578 1.08865 1.08993 Alpha virt. eigenvalues -- 1.12148 1.12311 1.13639 1.15235 1.25041 Alpha virt. eigenvalues -- 1.25436 1.29893 1.30311 1.30559 1.33821 Alpha virt. eigenvalues -- 1.33930 1.34867 1.50887 1.65911 2.03189 Alpha virt. eigenvalues -- 2.21834 2.22466 2.75266 2.76107 3.56739 Alpha virt. eigenvalues -- 10.43532 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.837549 -0.235940 -0.325106 -0.324707 -0.240602 0.039111 2 Cu -0.235940 19.005241 0.089806 0.057279 0.033801 0.015977 3 Cu -0.325106 0.089806 19.346870 -0.055423 0.056081 0.020178 4 Cu -0.324707 0.057279 -0.055423 19.351064 0.055157 0.021541 5 Cu -0.240602 0.033801 0.056081 0.055157 19.043062 0.016174 6 Cu 0.039111 0.015977 0.020178 0.021541 0.016174 18.785607 7 Cu -0.235831 0.032473 0.055731 0.088793 0.035377 0.016245 8 Cu -0.335209 0.054899 -0.059973 -0.060968 0.087960 0.022969 9 C 0.104750 0.027147 0.016496 0.016413 0.028441 -0.003874 10 O 0.068622 -0.015108 -0.002526 -0.002550 -0.015293 0.000082 7 8 9 10 1 Cu -0.235831 -0.335209 0.104750 0.068622 2 Cu 0.032473 0.054899 0.027147 -0.015108 3 Cu 0.055731 -0.059973 0.016496 -0.002526 4 Cu 0.088793 -0.060968 0.016413 -0.002550 5 Cu 0.035377 0.087960 0.028441 -0.015293 6 Cu 0.016245 0.022969 -0.003874 0.000082 7 Cu 19.010985 0.056949 0.027081 -0.015238 8 Cu 0.056949 19.404008 0.017163 -0.002729 9 C 0.027081 0.017163 5.104252 0.539225 10 O -0.015238 -0.002729 0.539225 7.569676 Mulliken atomic charges: 1 1 Cu 0.647363 2 Cu -0.065573 3 Cu -0.142134 4 Cu -0.146597 5 Cu -0.100159 6 Cu 0.065990 7 Cu -0.072565 8 Cu -0.185070 9 C 0.122906 10 O -0.124160 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.647363 2 Cu -0.065573 3 Cu -0.142134 4 Cu -0.146597 5 Cu -0.100159 6 Cu 0.065990 7 Cu -0.072565 8 Cu -0.185070 9 C 0.122906 10 O -0.124160 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.052101 2 Cu -0.044582 3 Cu 0.072542 4 Cu 0.073683 5 Cu -0.100807 6 Cu -0.083047 7 Cu -0.054002 8 Cu 0.077008 9 C 0.785329 10 O -0.778224 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.052101 2 Cu -0.044582 3 Cu 0.072542 4 Cu 0.073683 5 Cu -0.100807 6 Cu -0.083047 7 Cu -0.054002 8 Cu 0.077008 9 C 0.785329 10 O -0.778224 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4274.8530 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.1782 Y= 0.7102 Z= -1.5193 Tot= 1.6865 Quadrupole moment (field-independent basis, Debye-Ang): XX= -112.9805 YY= -113.4062 ZZ= -114.8488 XY= -0.1622 XZ= -0.2251 YZ= 1.0292 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.7647 YY= 0.3390 ZZ= -1.1036 XY= -0.1622 XZ= -0.2251 YZ= 1.0292 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 24.2518 YYY= 333.7176 ZZZ= -38.5062 XYY= -10.5319 XXY= 86.8369 XXZ= -25.7612 XZZ= 12.0106 YZZ= 94.1233 YYZ= -33.1293 XYZ= 3.2711 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1192.2008 YYYY= -2971.2599 ZZZZ= -1216.9992 XXXY= 109.3797 XXXZ= -36.7527 YYYX= 195.9003 YYYZ= 235.8486 ZZZX= -22.6247 ZZZY= 135.8803 XXYY= -623.3597 XXZZ= -404.2002 YYZZ= -659.1285 XXYZ= 74.2509 YYXZ= -19.2311 ZZXY= 28.8117 N-N= 2.026267496762D+03 E-N=-8.163417423697D+03 KE= 1.132414564140D+03 Exact polarizability: 281.914 -16.685 347.202 4.154 -14.108 285.762 Approx polarizability: 573.679 -58.399 800.003 12.746 -49.788 576.090 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:04:26 2008, MaxMem= 1258291200 cpu: 1.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-7.01160954D-02 2.79408618D-01-5.97738947D-01 Polarizability= 2.81914023D+02-1.66848829D+01 3.47201715D+02 4.15378121D+00-1.41083288D+01 2.85762415D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000093204 -0.000278311 -0.000432970 2 29 -0.000099610 -0.000090461 0.000029426 3 29 0.000065904 -0.000033560 0.000081283 4 29 -0.000027997 0.000015834 0.000104689 5 29 0.000042382 0.000062774 0.000244748 6 29 -0.000014999 -0.000018640 0.000220981 7 29 0.000093072 -0.000054798 0.000004361 8 29 -0.000142351 0.000329671 -0.000349021 9 6 -0.000231057 0.000904887 -0.000126434 10 8 0.000221452 -0.000837396 0.000222939 ------------------------------------------------------------------- Cartesian Forces: Max 0.000904887 RMS 0.000281798 Leave Link 716 at Fri Apr 11 14:04:27 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=3 IStep= 1. Leave Link 106 at Fri Apr 11 14:04:27 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 0.0000 -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 2026.2015875753 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 Fri Apr 11 14:04:27 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= 2751 LenP2D= 11243. 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= 617 NPtTot= 106390 NUsed= 110750 NTot= 110782 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 14:04:31 2008, MaxMem= 1258291200 cpu: 8.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2026.1356783890 hartrees. Leave Link 303 at Fri Apr 11 14:04:31 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 Fri Apr 11 14:04:32 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. 110749 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234396. IEnd= 284432 IEndB= 284432 NGot=1258291200 MDV=1012634615 LenX=1012634615 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= -1682.72142150851 DIIS: error= 1.26D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.72142150851 IErMin= 1 ErrMin= 1.26D-03 ErrMax= 1.26D-03 EMaxC= 1.00D-01 BMatC= 9.11D-05 BMatP= 9.11D-05 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.26D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.108 Goal= None Shift= 0.000 GapD= 0.108 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1. RMSDP=5.30D-04 MaxDP=1.06D-02 OVMax= 4.28D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.72106993002 Delta-E= 0.000351578491 Rises=F Damp=F DIIS: error= 1.61D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1682.72142150851 IErMin= 1 ErrMin= 1.26D-03 ErrMax= 1.61D-03 EMaxC= 1.00D-01 BMatC= 3.37D-04 BMatP= 9.11D-05 IDIUse=3 WtCom= 1.99D-01 WtEn= 8.01D-01 Coeff-Com: 0.678D+00 0.322D+00 Coeff-En: 0.627D+00 0.373D+00 Coeff: 0.637D+00 0.363D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=3.50D-04 MaxDP=6.17D-03 DE= 3.52D-04 OVMax= 1.70D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.72186811634 Delta-E= -0.000798186324 Rises=F Damp=F DIIS: error= 5.35D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.72186811634 IErMin= 3 ErrMin= 5.35D-04 ErrMax= 5.35D-04 EMaxC= 1.00D-01 BMatC= 8.37D-05 BMatP= 9.11D-05 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.35D-03 Coeff-Com: 0.422D+00 0.259D+00 0.320D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.419D+00 0.257D+00 0.323D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=7.42D-05 MaxDP=1.42D-03 DE=-7.98D-04 OVMax= 1.20D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.72192550014 Delta-E= -0.000057383797 Rises=F Damp=F DIIS: error= 4.48D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.72192550014 IErMin= 4 ErrMin= 4.48D-05 ErrMax= 4.48D-05 EMaxC= 1.00D-01 BMatC= 1.55D-06 BMatP= 8.37D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.125D+00 0.644D-01 0.109D+00 0.701D+00 Coeff: 0.125D+00 0.644D-01 0.109D+00 0.701D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=2.79D-05 MaxDP=6.28D-04 DE=-5.74D-05 OVMax= 7.03D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.72192652226 Delta-E= -0.000001022119 Rises=F Damp=F DIIS: error= 4.76D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.72192652226 IErMin= 4 ErrMin= 4.48D-05 ErrMax= 4.76D-05 EMaxC= 1.00D-01 BMatC= 1.61D-06 BMatP= 1.55D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.221D-01 0.398D-03 0.103D-01 0.510D+00 0.457D+00 Coeff: 0.221D-01 0.398D-03 0.103D-01 0.510D+00 0.457D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=1.37D-05 MaxDP=1.94D-04 DE=-1.02D-06 OVMax= 2.24D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.72192732749 Delta-E= -0.000000805236 Rises=F Damp=F DIIS: error= 4.03D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.72192732749 IErMin= 6 ErrMin= 4.03D-05 ErrMax= 4.03D-05 EMaxC= 1.00D-01 BMatC= 4.27D-07 BMatP= 1.55D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.366D-02-0.103D-01-0.184D-01 0.192D+00 0.375D+00 0.465D+00 Coeff: -0.366D-02-0.103D-01-0.184D-01 0.192D+00 0.375D+00 0.465D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=5.80D-06 MaxDP=1.12D-04 DE=-8.05D-07 OVMax= 1.88D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.72192760799 Delta-E= -0.000000280500 Rises=F Damp=F DIIS: error= 2.09D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.72192760799 IErMin= 7 ErrMin= 2.09D-05 ErrMax= 2.09D-05 EMaxC= 1.00D-01 BMatC= 1.08D-07 BMatP= 4.27D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.549D-02-0.826D-02-0.169D-01 0.749D-01 0.244D+00 0.389D+00 Coeff-Com: 0.323D+00 Coeff: -0.549D-02-0.826D-02-0.169D-01 0.749D-01 0.244D+00 0.389D+00 Coeff: 0.323D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=2.52D-06 MaxDP=4.09D-05 DE=-2.80D-07 OVMax= 7.91D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.72192769400 Delta-E= -0.000000086003 Rises=F Damp=F DIIS: error= 2.93D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.72192769400 IErMin= 8 ErrMin= 2.93D-06 ErrMax= 2.93D-06 EMaxC= 1.00D-01 BMatC= 3.68D-09 BMatP= 1.08D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.268D-02-0.393D-02-0.762D-02 0.272D-01 0.108D+00 0.188D+00 Coeff-Com: 0.200D+00 0.491D+00 Coeff: -0.268D-02-0.393D-02-0.762D-02 0.272D-01 0.108D+00 0.188D+00 Coeff: 0.200D+00 0.491D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=9.27D-07 MaxDP=1.22D-05 DE=-8.60D-08 OVMax= 4.29D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.72192769772 Delta-E= -0.000000003726 Rises=F Damp=F DIIS: error= 1.77D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.72192769772 IErMin= 9 ErrMin= 1.77D-06 ErrMax= 1.77D-06 EMaxC= 1.00D-01 BMatC= 8.01D-10 BMatP= 3.68D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.427D-03-0.431D-03-0.473D-03-0.702D-02 0.140D-02 0.141D-01 Coeff-Com: 0.455D-01 0.340D+00 0.608D+00 Coeff: -0.427D-03-0.431D-03-0.473D-03-0.702D-02 0.140D-02 0.141D-01 Coeff: 0.455D-01 0.340D+00 0.608D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=4.29D-07 MaxDP=5.57D-06 DE=-3.73D-09 OVMax= 2.59D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.72192769906 Delta-E= -0.000000001339 Rises=F Damp=F DIIS: error= 3.97D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.72192769906 IErMin=10 ErrMin= 3.97D-07 ErrMax= 3.97D-07 EMaxC= 1.00D-01 BMatC= 7.56D-11 BMatP= 8.01D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.742D-06 0.937D-04 0.194D-03-0.614D-02-0.770D-02-0.716D-02 Coeff-Com: 0.806D-02 0.158D+00 0.315D+00 0.540D+00 Coeff: -0.742D-06 0.937D-04 0.194D-03-0.614D-02-0.770D-02-0.716D-02 Coeff: 0.806D-02 0.158D+00 0.315D+00 0.540D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=1.62D-07 MaxDP=3.28D-06 DE=-1.34D-09 OVMax= 5.92D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.72192769912 Delta-E= -0.000000000057 Rises=F Damp=F DIIS: error= 4.82D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.72192769912 IErMin=10 ErrMin= 3.97D-07 ErrMax= 4.82D-07 EMaxC= 1.00D-01 BMatC= 6.58D-11 BMatP= 7.56D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.129D-03 0.211D-03 0.284D-03-0.321D-02-0.727D-02-0.113D-01 Coeff-Com: -0.773D-02 0.447D-01 0.105D+00 0.475D+00 0.404D+00 Coeff: 0.129D-03 0.211D-03 0.284D-03-0.321D-02-0.727D-02-0.113D-01 Coeff: -0.773D-02 0.447D-01 0.105D+00 0.475D+00 0.404D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=7.26D-08 MaxDP=1.54D-06 DE=-5.68D-11 OVMax= 1.97D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.72192769918 Delta-E= -0.000000000059 Rises=F Damp=F DIIS: error= 3.92D-08 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.72192769918 IErMin=12 ErrMin= 3.92D-08 ErrMax= 3.92D-08 EMaxC= 1.00D-01 BMatC= 1.14D-12 BMatP= 6.58D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.655D-04 0.828D-04 0.890D-04-0.712D-03-0.201D-02-0.393D-02 Coeff-Com: -0.402D-02 0.205D-02 0.290D-02 0.142D+00 0.149D+00 0.714D+00 Coeff: 0.655D-04 0.828D-04 0.890D-04-0.712D-03-0.201D-02-0.393D-02 Coeff: -0.402D-02 0.205D-02 0.290D-02 0.142D+00 0.149D+00 0.714D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=1.93D-08 MaxDP=2.60D-07 DE=-5.91D-11 OVMax= 8.38D-07 Cycle 13 Pass 1 IDiag 1: E= -1682.72192769917 Delta-E= 0.000000000004 Rises=F Damp=F DIIS: error= 2.10D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=12 EnMin= -1682.72192769918 IErMin=13 ErrMin= 2.10D-08 ErrMax= 2.10D-08 EMaxC= 1.00D-01 BMatC= 2.93D-13 BMatP= 1.14D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.128D-04 0.102D-04 0.163D-05 0.942D-04-0.448D-04-0.510D-03 Coeff-Com: -0.102D-02-0.525D-02-0.117D-01 0.589D-02 0.234D-01 0.397D+00 Coeff-Com: 0.593D+00 Coeff: 0.128D-04 0.102D-04 0.163D-05 0.942D-04-0.448D-04-0.510D-03 Coeff: -0.102D-02-0.525D-02-0.117D-01 0.589D-02 0.234D-01 0.397D+00 Coeff: 0.593D+00 Gap= 0.107 Goal= None Shift= 0.000 RMSDP=9.00D-09 MaxDP=1.12D-07 DE= 4.09D-12 OVMax= 4.40D-07 SCF Done: E(RB+HF-LYP) = -1682.72192770 A.U. after 13 cycles Convg = 0.9003D-08 -V/T = 2.4860 S**2 = 0.0000 KE= 1.132408961660D+03 PE=-8.163273671077D+03 EE= 3.322007103328D+03 Leave Link 502 at Fri Apr 11 14:05:10 2008, MaxMem= 1258291200 cpu: 129.1 (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 0.15600470D+02 Leave Link 801 at Fri Apr 11 14:05:10 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= 2751 LenP2D= 11243. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 14:05:18 2008, MaxMem= 1258291200 cpu: 20.2 (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 Fri Apr 11 14:05:19 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 Fri Apr 11 14:06:25 2008, MaxMem= 1258291200 cpu: 258.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: Closed-shell wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 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= 5.56D-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 0.285227D+03 2 -0.167299D+02 0.349354D+03 3 0.317740D+01 -0.161174D+02 0.283339D+03 Isotropic polarizability for W= 0.000000 305.97 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:07:36 2008, MaxMem= 1258291200 cpu: 248.6 (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 -- -19.25686 -10.34184 -4.33830 -4.29940 -4.29908 Alpha occ. eigenvalues -- -4.29830 -4.29161 -4.27418 -4.27387 -4.27257 Alpha occ. eigenvalues -- -2.84963 -2.84197 -2.84194 -2.80911 -2.80790 Alpha occ. eigenvalues -- -2.80727 -2.80673 -2.80632 -2.80553 -2.80469 Alpha occ. eigenvalues -- -2.80435 -2.80350 -2.80127 -2.79741 -2.79738 Alpha occ. eigenvalues -- -2.78393 -2.78362 -2.78230 -2.78183 -2.78155 Alpha occ. eigenvalues -- -2.78037 -2.77905 -2.77875 -2.77751 -1.17294 Alpha occ. eigenvalues -- -0.57680 -0.47113 -0.47108 -0.46548 -0.35034 Alpha occ. eigenvalues -- -0.32743 -0.32717 -0.32502 -0.32100 -0.32095 Alpha occ. eigenvalues -- -0.31778 -0.30614 -0.30596 -0.30064 -0.29852 Alpha occ. eigenvalues -- -0.29847 -0.28733 -0.28688 -0.28411 -0.27693 Alpha occ. eigenvalues -- -0.27666 -0.27620 -0.27101 -0.27076 -0.26923 Alpha occ. eigenvalues -- -0.26785 -0.26759 -0.26669 -0.26643 -0.26081 Alpha occ. eigenvalues -- -0.25583 -0.25564 -0.25316 -0.25226 -0.25168 Alpha occ. eigenvalues -- -0.25092 -0.25066 -0.25021 -0.25001 -0.24885 Alpha occ. eigenvalues -- -0.24869 -0.24786 -0.24532 -0.24200 -0.24135 Alpha occ. eigenvalues -- -0.20041 -0.19988 -0.19768 Alpha virt. eigenvalues -- -0.09019 -0.08901 -0.08849 -0.06447 -0.06200 Alpha virt. eigenvalues -- -0.04311 -0.02317 -0.01976 -0.01883 -0.00954 Alpha virt. eigenvalues -- -0.00762 0.01746 0.01874 0.02531 0.02637 Alpha virt. eigenvalues -- 0.03267 0.03592 0.03888 0.04209 0.04395 Alpha virt. eigenvalues -- 0.04681 0.05494 0.05680 0.05884 0.06744 Alpha virt. eigenvalues -- 0.07121 0.07152 0.07561 0.08107 0.08162 Alpha virt. eigenvalues -- 0.08303 0.09233 0.09326 0.11352 0.11375 Alpha virt. eigenvalues -- 0.11983 0.12066 0.12527 0.12609 0.14565 Alpha virt. eigenvalues -- 0.14684 0.17155 0.17392 0.18839 0.21821 Alpha virt. eigenvalues -- 0.23960 0.25626 0.25802 0.25890 0.29273 Alpha virt. eigenvalues -- 0.29617 0.30292 0.30364 0.30465 0.32263 Alpha virt. eigenvalues -- 0.40278 0.40315 0.55127 0.61407 0.63319 Alpha virt. eigenvalues -- 0.63405 0.66998 0.69286 0.69383 0.70560 Alpha virt. eigenvalues -- 0.71098 0.71155 0.77004 0.77025 0.77110 Alpha virt. eigenvalues -- 0.81606 0.81627 0.81818 0.82614 0.83697 Alpha virt. eigenvalues -- 0.83974 0.87199 0.87219 0.88253 0.91822 Alpha virt. eigenvalues -- 0.95972 0.96070 0.97276 0.97399 1.01171 Alpha virt. eigenvalues -- 1.04205 1.06330 1.06653 1.08947 1.09007 Alpha virt. eigenvalues -- 1.12260 1.12347 1.13694 1.15299 1.25206 Alpha virt. eigenvalues -- 1.25427 1.29946 1.30460 1.30551 1.33881 Alpha virt. eigenvalues -- 1.33949 1.34924 1.50907 1.66138 2.03161 Alpha virt. eigenvalues -- 2.22113 2.22265 2.75008 2.76608 3.56834 Alpha virt. eigenvalues -- 10.43705 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.823968 -0.235872 -0.329560 -0.326073 -0.236235 0.041154 2 Cu -0.235872 19.024975 0.087544 0.058362 0.031431 0.016391 3 Cu -0.329560 0.087544 19.395339 -0.064878 0.056896 0.022200 4 Cu -0.326073 0.058362 -0.064878 19.381557 0.055525 0.021941 5 Cu -0.236235 0.031431 0.056896 0.055525 18.992963 0.015560 6 Cu 0.041154 0.016391 0.022200 0.021941 0.015560 18.804599 7 Cu -0.235014 0.037359 0.057186 0.087077 0.031749 0.016440 8 Cu -0.321682 0.054345 -0.059109 -0.058019 0.090321 0.015529 9 C 0.103054 0.027372 0.016566 0.016474 0.028136 -0.004020 10 O 0.068466 -0.015125 -0.002564 -0.002559 -0.014952 0.000091 7 8 9 10 1 Cu -0.235014 -0.321682 0.103054 0.068466 2 Cu 0.037359 0.054345 0.027372 -0.015125 3 Cu 0.057186 -0.059109 0.016566 -0.002564 4 Cu 0.087077 -0.058019 0.016474 -0.002559 5 Cu 0.031749 0.090321 0.028136 -0.014952 6 Cu 0.016440 0.015529 -0.004020 0.000091 7 Cu 19.019796 0.056163 0.027233 -0.015195 8 Cu 0.056163 19.342817 0.016794 -0.002600 9 C 0.027233 0.016794 5.103489 0.540685 10 O -0.015195 -0.002600 0.540685 7.561326 Mulliken atomic charges: 1 1 Cu 0.647796 2 Cu -0.086783 3 Cu -0.179618 4 Cu -0.169407 5 Cu -0.051394 6 Cu 0.050114 7 Cu -0.082792 8 Cu -0.134559 9 C 0.124218 10 O -0.117574 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.647796 2 Cu -0.086783 3 Cu -0.179618 4 Cu -0.169407 5 Cu -0.051394 6 Cu 0.050114 7 Cu -0.082792 8 Cu -0.134559 9 C 0.124218 10 O -0.117574 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.046320 2 Cu -0.081261 3 Cu 0.073766 4 Cu 0.073341 5 Cu -0.024680 6 Cu -0.099945 7 Cu -0.072914 8 Cu 0.067557 9 C 0.788673 10 O -0.770856 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.046320 2 Cu -0.081261 3 Cu 0.073766 4 Cu 0.073341 5 Cu -0.024680 6 Cu -0.099945 7 Cu -0.072914 8 Cu 0.067557 9 C 0.788673 10 O -0.770856 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 4274.3116 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.1431 Y= 0.5652 Z= 1.2092 Tot= 1.3424 Quadrupole moment (field-independent basis, Debye-Ang): XX= -114.4229 YY= -113.5837 ZZ= -112.5008 XY= -0.2712 XZ= 0.2808 YZ= -0.9809 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.9204 YY= -0.0812 ZZ= 1.0016 XY= -0.2712 XZ= 0.2808 YZ= -0.9809 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 23.7451 YYY= 330.8977 ZZZ= -10.2399 XYY= -9.1865 XXY= 88.7420 XXZ= -17.3904 XZZ= 12.5862 YZZ= 91.1633 YYZ= -22.2230 XYZ= 2.1099 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1212.0409 YYYY= -2966.8973 ZZZZ= -1156.8217 XXXY= 109.7721 XXXZ= -33.5606 YYYX= 191.8109 YYYZ= 218.3227 ZZZX= -12.8988 ZZZY= 112.6532 XXYY= -630.6478 XXZZ= -409.3784 YYZZ= -655.7372 XXYZ= 65.3174 YYXZ= -19.3667 ZZXY= 28.2651 N-N= 2.026135678389D+03 E-N=-8.163273667789D+03 KE= 1.132408961660D+03 Exact polarizability: 285.227 -16.730 349.354 3.177 -16.117 283.339 Approx polarizability: 577.555 -57.916 800.968 13.098 -56.093 577.641 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:07:37 2008, MaxMem= 1258291200 cpu: 1.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-5.63050262D-02 2.22384223D-01 4.75716968D-01 Polarizability= 2.85226821D+02-1.67298839D+01 3.49354033D+02 3.17739738D+00-1.61173985D+01 2.83338594D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000030262 0.000225425 0.000470879 2 29 0.000122899 0.000091487 -0.000114877 3 29 -0.000156105 0.000114635 -0.000046397 4 29 0.000045305 0.000057592 -0.000095341 5 29 0.000000215 -0.000058701 -0.000116888 6 29 0.000003939 -0.000094390 -0.000240774 7 29 -0.000120968 0.000019073 -0.000003005 8 29 0.000101811 -0.000248083 0.000237429 9 6 0.000243598 -0.001045503 0.000138549 10 8 -0.000210431 0.000938467 -0.000229576 ------------------------------------------------------------------- Cartesian Forces: Max 0.001045503 RMS 0.000302262 Leave Link 716 at Fri Apr 11 14:07:38 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=3 IStep= 2. Max difference between analytic and numerical Dipole moment IMax= 2 EMax= 1.74D-03 Max difference between off-diagonal Polarizability IMax= 1 JMax= 3 EMax= 1.34D-02 Max difference between analytic and numerical Polarizability IMax= 3 EMax= 2.75D-01 Max difference between off-diagonal HyperPolarizability IMax= 1 JMax= 1 KMax= 3 EMax= 5.64D+00 Final packed hyperpolarizability: K= 1 block: 1 1 -0.408337D+03 K= 2 block: 1 2 1 0.769323D+02 2 -0.724657D+03 0.296446D+04 K= 3 block: 1 2 3 1 -0.880289D+03 2 0.117350D+02 -0.572592D+03 3 0.257802D+03 0.532487D+03 0.641315D+03 Max difference between off-diagonal Polar Derivs IMax= 1 JMax= 3 KMax= 1 EMax= 1.37D-02 Leave Link 106 at Fri Apr 11 14:07:38 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole =-6.27533913D-02 2.51834975D-01-5.98797472D-02 Polarizability= 2.83326487D+02-1.66923022D+01 3.48032107D+02 3.64867358D+00-1.50829104D+01 2.83765342D+02 HyperPolar =-4.08336729D+02 7.69323397D+01-7.24657190D+02 2.96445765D+03-8.80289418D+02 1.17349773D+01 -5.72591869D+02 2.57802038D+02 5.32486834D+02 6.41315421D+02 Full mass-weighted force constant matrix: Low frequencies --- -27.0717 -0.0005 -0.0004 -0.0001 2.1062 4.6871 Low frequencies --- 8.2542 19.6516 22.0709 ****** 1 imaginary frequencies (negative Signs) ****** Diagonal vibrational polarizability: 8.5025253 9.9909879 8.8280787 Diagonal vibrational hyperpolarizability: 173.3749396 171.9867535 -512.2975235 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 -- -26.9365 19.4813 22.0209 Red. masses -- 62.6390 41.4730 36.6318 Frc consts -- 0.0268 0.0093 0.0105 IR Inten -- 0.0008 0.0659 0.0757 Raman Activ -- 0.0333 2.9406 2.6492 Depolar (P) -- 0.7498 0.7499 0.7499 Depolar (U) -- 0.8570 0.8571 0.8571 Atom AN X Y Z X Y Z X Y Z 1 29 0.00 0.00 0.01 -0.04 0.01 0.08 -0.06 -0.02 -0.03 2 29 0.13 0.06 0.18 -0.21 -0.13 -0.16 0.25 0.13 0.37 3 29 -0.28 -0.16 -0.35 0.00 -0.02 0.15 -0.10 -0.06 -0.06 4 29 -0.21 0.05 0.49 -0.05 0.01 0.09 -0.10 0.02 -0.04 5 29 -0.25 -0.04 0.04 0.32 0.12 0.02 0.42 0.07 -0.09 6 29 0.00 0.00 -0.01 -0.01 0.00 0.02 -0.03 -0.01 -0.02 7 29 0.15 -0.03 -0.33 0.21 -0.05 -0.48 -0.07 0.01 -0.01 8 29 0.46 0.12 -0.05 -0.13 0.04 0.09 -0.10 -0.06 -0.03 9 6 -0.01 0.00 0.04 -0.15 0.03 0.32 -0.33 -0.11 -0.14 10 8 -0.01 0.01 0.06 -0.24 0.05 0.51 -0.56 -0.19 -0.25 4 5 6 A A A Frequencies -- 36.9768 37.3476 58.3538 Red. masses -- 21.8554 23.0358 62.4439 Frc consts -- 0.0176 0.0189 0.1253 IR Inten -- 0.0247 0.0190 0.0373 Raman Activ -- 1.2905 1.5054 0.6463 Depolar (P) -- 0.7500 0.7498 0.7492 Depolar (U) -- 0.8571 0.8570 0.8566 Atom AN X Y Z X Y Z X Y Z 1 29 -0.11 0.00 0.11 0.11 0.05 0.11 -0.17 -0.09 -0.22 2 29 -0.07 -0.15 0.11 -0.06 -0.02 -0.11 0.06 0.03 0.08 3 29 -0.01 -0.10 0.06 0.05 0.04 0.05 0.25 0.14 0.32 4 29 -0.05 0.04 0.04 0.06 -0.08 0.06 0.20 -0.19 0.33 5 29 0.07 0.12 0.05 -0.10 0.12 0.09 0.03 -0.05 -0.33 6 29 0.07 0.00 -0.07 -0.07 -0.03 -0.07 -0.20 -0.10 -0.25 7 29 -0.02 0.03 -0.11 0.17 -0.10 0.04 -0.32 -0.10 -0.08 8 29 -0.07 0.05 0.02 0.03 0.10 0.02 0.15 0.37 0.13 9 6 0.22 0.00 -0.24 -0.21 -0.10 -0.22 -0.04 -0.02 -0.05 10 8 0.60 0.00 -0.63 -0.57 -0.27 -0.59 0.04 0.02 0.06 7 8 9 A A A Frequencies -- 58.7488 90.5573 90.9953 Red. masses -- 62.4224 56.6953 62.2073 Frc consts -- 0.1269 0.2739 0.3035 IR Inten -- 0.0358 0.2066 0.5150 Raman Activ -- 0.6676 10.7243 7.0166 Depolar (P) -- 0.7497 0.2281 0.7345 Depolar (U) -- 0.8569 0.3715 0.8470 Atom AN X Y Z X Y Z X Y Z 1 29 0.23 0.02 -0.18 0.05 -0.24 0.08 0.03 -0.06 -0.16 2 29 0.30 0.01 -0.24 0.24 0.31 -0.32 0.20 -0.23 -0.05 3 29 -0.12 -0.33 0.25 -0.01 -0.06 0.04 -0.01 -0.26 -0.03 4 29 -0.30 0.16 0.25 0.05 -0.08 0.05 0.08 -0.11 -0.11 5 29 -0.11 -0.06 -0.18 -0.02 0.31 0.38 -0.11 0.39 -0.20 6 29 0.26 0.02 -0.21 0.06 -0.13 -0.05 -0.08 0.10 0.65 7 29 0.12 0.07 0.16 -0.43 0.13 -0.20 -0.07 -0.11 -0.02 8 29 -0.39 0.12 0.15 0.01 -0.13 0.00 -0.04 0.30 -0.07 9 6 0.05 0.00 -0.04 0.06 -0.24 0.07 0.02 -0.04 -0.10 10 8 -0.06 0.00 0.05 0.06 -0.24 0.04 0.00 -0.01 0.04 10 11 12 A A A Frequencies -- 91.2885 102.1007 122.6302 Red. masses -- 62.1996 37.1135 62.6952 Frc consts -- 0.3054 0.2280 0.5555 IR Inten -- 0.5216 0.8782 0.3021 Raman Activ -- 6.9245 4.2942 0.3172 Depolar (P) -- 0.7487 0.5726 0.7460 Depolar (U) -- 0.8563 0.7282 0.8545 Atom AN X Y Z X Y Z X Y Z 1 29 -0.18 -0.03 -0.02 -0.12 0.48 -0.11 0.08 -0.03 -0.17 2 29 -0.17 0.28 0.02 0.16 -0.08 -0.09 0.01 -0.19 0.08 3 29 -0.12 0.19 -0.13 0.11 -0.06 -0.05 0.45 0.30 -0.10 4 29 0.05 -0.29 0.10 -0.09 -0.10 -0.02 -0.22 0.05 0.45 5 29 -0.02 0.07 -0.07 0.04 -0.05 0.19 -0.05 0.21 0.00 6 29 0.64 0.17 0.06 0.05 -0.21 0.04 -0.03 0.01 0.09 7 29 -0.03 -0.44 0.03 -0.13 -0.14 -0.04 -0.01 0.00 0.02 8 29 -0.16 0.04 0.00 0.03 -0.05 0.12 -0.23 -0.35 -0.36 9 6 -0.11 -0.02 -0.01 -0.12 0.49 -0.11 0.03 -0.02 -0.06 10 8 0.04 0.02 0.00 -0.12 0.49 -0.11 -0.01 -0.01 0.02 13 14 15 A A A Frequencies -- 123.8213 148.5927 149.2121 Red. masses -- 62.6806 61.9570 61.9344 Frc consts -- 0.5662 0.8060 0.8124 IR Inten -- 0.3088 0.4189 0.4444 Raman Activ -- 0.2630 6.0849 6.1056 Depolar (P) -- 0.7471 0.7310 0.6827 Depolar (U) -- 0.8553 0.8446 0.8115 Atom AN X Y Z X Y Z X Y Z 1 29 -0.18 -0.07 -0.06 0.71 0.15 -0.10 0.06 0.17 0.71 2 29 0.01 0.13 -0.04 -0.25 -0.13 0.24 0.13 0.10 -0.13 3 29 0.07 0.00 0.52 -0.18 0.13 0.15 0.18 -0.04 -0.02 4 29 -0.50 0.08 -0.24 -0.18 -0.20 -0.11 -0.14 -0.10 0.03 5 29 -0.01 0.12 0.00 0.00 0.01 -0.01 -0.01 -0.22 -0.37 6 29 0.07 0.02 0.03 0.12 -0.01 -0.01 0.03 -0.04 0.12 7 29 0.11 -0.21 0.07 -0.33 0.03 -0.15 -0.18 0.03 -0.08 8 29 0.44 -0.07 -0.27 0.10 0.02 -0.02 -0.06 0.10 -0.28 9 6 -0.05 -0.03 -0.02 0.13 0.02 -0.02 0.01 0.02 0.13 10 8 0.02 -0.01 0.01 -0.03 -0.01 0.00 0.00 -0.02 -0.03 16 17 18 A A A Frequencies -- 152.6049 181.1591 222.4624 Red. masses -- 62.1103 54.1768 57.8413 Frc consts -- 0.8522 1.0476 1.6866 IR Inten -- 0.0452 0.0608 0.9579 Raman Activ -- 44.6859 30.0370 11.8452 Depolar (P) -- 0.0426 0.0204 0.7500 Depolar (U) -- 0.0816 0.0400 0.8571 Atom AN X Y Z X Y Z X Y Z 1 29 0.03 0.07 0.05 -0.05 0.19 -0.04 0.15 0.05 0.08 2 29 0.20 -0.18 -0.08 -0.15 0.16 0.05 -0.15 0.15 0.05 3 29 -0.09 -0.09 0.12 -0.23 -0.27 0.29 0.12 -0.20 -0.05 4 29 0.13 -0.06 0.08 0.38 -0.14 0.18 0.14 0.55 0.00 5 29 0.06 -0.17 0.20 -0.05 0.14 -0.18 -0.07 0.16 -0.22 6 29 -0.18 0.76 -0.16 0.02 -0.08 0.02 -0.07 -0.03 -0.03 7 29 -0.16 -0.25 -0.04 0.09 0.22 0.02 -0.20 -0.46 -0.04 8 29 0.01 -0.12 -0.16 0.03 -0.34 -0.31 0.05 -0.23 0.21 9 6 -0.01 0.09 -0.01 -0.07 0.28 -0.07 0.26 0.09 0.13 10 8 -0.02 0.08 -0.02 -0.07 0.29 -0.06 -0.08 -0.03 -0.04 19 20 21 A A A Frequencies -- 223.0150 254.5466 277.7820 Red. masses -- 57.8408 62.8880 12.9722 Frc consts -- 1.6949 2.4008 0.5898 IR Inten -- 0.9530 2.7576 0.3438 Raman Activ -- 11.8493 9.1564 35.4721 Depolar (P) -- 0.7500 0.1502 0.7500 Depolar (U) -- 0.8571 0.2612 0.8571 Atom AN X Y Z X Y Z X Y Z 1 29 -0.08 0.01 0.15 0.00 -0.01 0.00 0.07 0.02 0.01 2 29 0.31 -0.31 -0.11 0.15 -0.19 -0.04 -0.01 0.02 -0.01 3 29 -0.31 0.41 0.05 -0.36 0.29 0.15 0.02 -0.02 -0.01 4 29 0.00 -0.05 -0.03 0.24 0.41 0.06 0.01 0.03 0.00 5 29 -0.09 0.24 -0.33 0.06 -0.16 0.17 0.00 0.01 0.00 6 29 0.04 -0.01 -0.07 0.08 -0.33 0.07 -0.02 -0.01 0.00 7 29 0.02 0.04 0.00 -0.07 -0.22 -0.01 0.01 -0.03 0.01 8 29 0.13 -0.33 0.31 -0.11 0.23 -0.42 0.00 0.00 0.01 9 6 -0.14 0.02 0.27 0.00 -0.02 0.01 -0.90 -0.24 -0.09 10 8 0.04 -0.01 -0.08 0.01 -0.02 0.00 0.33 0.09 0.03 22 23 24 A A A Frequencies -- 278.3323 335.7740 1951.5835 Red. masses -- 12.9644 19.0109 13.3836 Frc consts -- 0.5917 1.2628 30.0330 IR Inten -- 0.3922 1.1711 812.5981 Raman Activ -- 36.0155 15.3026 210.3952 Depolar (P) -- 0.7500 0.0304 0.5909 Depolar (U) -- 0.8571 0.0589 0.7429 Atom AN X Y Z X Y Z X Y Z 1 29 0.01 -0.01 -0.07 -0.07 0.30 -0.07 0.00 0.01 0.00 2 29 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 29 0.02 -0.02 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 4 29 0.00 -0.01 0.00 0.02 -0.01 0.01 0.00 0.00 0.00 5 29 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 29 0.00 0.00 0.02 0.00 0.01 0.00 0.00 0.00 0.00 7 29 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 29 -0.01 0.02 -0.03 0.00 -0.01 -0.01 0.00 0.00 0.00 9 6 -0.14 0.17 0.91 0.15 -0.62 0.14 0.19 -0.77 0.18 10 8 0.05 -0.07 -0.34 0.16 -0.65 0.15 -0.14 0.56 -0.13 ------------------- - 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 -- 5671.763258166.816638203.32900 X -0.22999 -0.06648 0.97092 Y 0.95018 0.20034 0.23880 Z -0.21039 0.97747 0.01709 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.01527 0.01061 0.01056 Rotational constants (GHZ): 0.31820 0.22098 0.22000 1 imaginary frequencies ignored. Zero-point vibrational energy 30082.4 (Joules/Mol) 7.18987 (Kcal/Mol) Warning -- explicit consideration of 22 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 28.03 31.68 53.20 53.73 83.96 (Kelvin) 84.53 130.29 130.92 131.34 146.90 176.44 178.15 213.79 214.68 219.56 260.65 320.07 320.87 366.24 399.67 400.46 483.10 2807.89 Zero-point correction= 0.011458 (Hartree/Particle) Thermal correction to Energy= 0.029140 Thermal correction to Enthalpy= 0.030084 Thermal correction to Gibbs Free Energy= -0.042421 Sum of electronic and zero-point Energies= -1682.710077 Sum of electronic and thermal Energies= -1682.692395 Sum of electronic and thermal Enthalpies= -1682.691451 Sum of electronic and thermal Free Energies= -1682.763956 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 18.286 47.506 152.600 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 44.697 Rotational 0.889 2.981 34.296 Vibrational 16.508 41.544 73.607 Vibration 1 0.593 1.986 6.686 Vibration 2 0.593 1.985 6.443 Vibration 3 0.594 1.982 5.415 Vibration 4 0.594 1.982 5.395 Vibration 5 0.596 1.974 4.512 Vibration 6 0.596 1.974 4.499 Vibration 7 0.602 1.956 3.648 Vibration 8 0.602 1.956 3.639 Vibration 9 0.602 1.955 3.632 Vibration 10 0.604 1.947 3.414 Vibration 11 0.610 1.930 3.059 Vibration 12 0.610 1.929 3.040 Vibration 13 0.618 1.904 2.690 Vibration 14 0.618 1.904 2.682 Vibration 15 0.619 1.900 2.640 Vibration 16 0.630 1.865 2.316 Vibration 17 0.648 1.807 1.939 Vibration 18 0.649 1.806 1.934 Vibration 19 0.665 1.755 1.699 Vibration 20 0.679 1.715 1.547 Vibration 21 0.679 1.714 1.544 Vibration 22 0.717 1.604 1.232 Q Log10(Q) Ln(Q) Total Bot 0.325279D+20 19.512256 44.928630 Total V=0 0.605984D+25 24.782461 57.063726 Vib (Bot) 0.968061D+04 3.985903 9.177880 Vib (Bot) 1 0.106332D+02 1.026664 2.363980 Vib (Bot) 2 0.940594D+01 0.973402 2.241341 Vib (Bot) 3 0.559675D+01 0.747936 1.722187 Vib (Bot) 4 0.554105D+01 0.743592 1.712183 Vib (Bot) 5 0.353947D+01 0.548939 1.263978 Vib (Bot) 6 0.351552D+01 0.545990 1.257188 Vib (Bot) 7 0.227022D+01 0.356068 0.819877 Vib (Bot) 8 0.225912D+01 0.353939 0.814975 Vib (Bot) 9 0.225175D+01 0.352520 0.811706 Vib (Bot) 10 0.200923D+01 0.303029 0.697750 Vib (Bot) 11 0.166543D+01 0.221526 0.510082 Vib (Bot) 12 0.164894D+01 0.217205 0.500133 Vib (Bot) 13 0.136515D+01 0.135180 0.311263 Vib (Bot) 14 0.135924D+01 0.133296 0.306925 Vib (Bot) 15 0.132771D+01 0.123104 0.283457 Vib (Bot) 16 0.110825D+01 0.044639 0.102785 Vib (Bot) 17 0.888234D+00 -0.051473 -0.118520 Vib (Bot) 18 0.885825D+00 -0.052652 -0.121236 Vib (Bot) 19 0.765079D+00 -0.116294 -0.267777 Vib (Bot) 20 0.692939D+00 -0.159305 -0.366813 Vib (Bot) 21 0.691370D+00 -0.160290 -0.369080 Vib (Bot) 22 0.554477D+00 -0.256117 -0.589731 Vib (V=0) 0.180347D+10 9.256108 21.312976 Vib (V=0) 1 0.111449D+02 1.047078 2.410986 Vib (V=0) 2 0.991922D+01 0.996477 2.294474 Vib (V=0) 3 0.611904D+01 0.786684 1.811406 Vib (V=0) 4 0.606356D+01 0.782728 1.802297 Vib (V=0) 5 0.407461D+01 0.610087 1.404776 Vib (V=0) 6 0.405090D+01 0.607552 1.398939 Vib (V=0) 7 0.282463D+01 0.450961 1.038377 Vib (V=0) 8 0.281379D+01 0.449292 1.034532 Vib (V=0) 9 0.280659D+01 0.448179 1.031971 Vib (V=0) 10 0.257051D+01 0.410019 0.944103 Vib (V=0) 11 0.223886D+01 0.350028 0.805969 Vib (V=0) 12 0.222308D+01 0.346955 0.798893 Vib (V=0) 13 0.195383D+01 0.290887 0.669793 Vib (V=0) 14 0.194829D+01 0.289653 0.666950 Vib (V=0) 15 0.191874D+01 0.283016 0.651668 Vib (V=0) 16 0.171582D+01 0.234473 0.539893 Vib (V=0) 17 0.151929D+01 0.181642 0.418245 Vib (V=0) 18 0.151720D+01 0.181041 0.416863 Vib (V=0) 19 0.141397D+01 0.150441 0.346403 Vib (V=0) 20 0.135450D+01 0.131778 0.303430 Vib (V=0) 21 0.135322D+01 0.131370 0.302490 Vib (V=0) 22 0.124662D+01 0.095735 0.220437 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.481533D+09 8.682626 19.992486 Rotational 0.697793D+07 6.843727 15.758264 Cu8CO03 IR Spectrum 1 9 3 2 2 2 111111 5 3 7 5 2 854220995321 2 6 8 5 2 139432118729 X X X X X X XXXXXXX XX X X X X X X X X X X X X X X X X X X X Cu8CO03 Raman Spectrum 1 9 3 22 22111111 5 3 77 5285422099953321 2 6 88 5213943211187729 X X XX XXXXXXXXXXXXXXXX X XX XXX X XX XX 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 0.000039288 -0.000030999 0.000041793 2 29 -0.000001157 0.000008324 -0.000019517 3 29 -0.000043011 0.000035397 0.000020001 4 29 0.000008044 0.000034901 0.000006094 5 29 0.000013114 0.000015180 -0.000006170 6 29 -0.000002708 -0.000068131 0.000001143 7 29 -0.000007345 -0.000008717 0.000011728 8 29 -0.000014652 0.000020700 -0.000045938 9 6 -0.000003082 -0.000030941 -0.000013933 10 8 0.000011510 0.000024285 0.000004799 ------------------------------------------------------------------- Cartesian Forces: Max 0.000068131 RMS 0.000025524 Force constants in Cartesian coordinates: 1 2 3 4 5 1 0.438256D-01 2 -0.143474D-01 0.990592D-01 3 0.327155D-02 -0.133304D-01 0.438577D-01 4 -0.134199D-01 -0.213760D-02 0.105060D-01 0.320536D-01 5 0.147489D-03 0.614025D-03 -0.609204D-03 -0.223806D-01 0.344708D-01 6 0.953384D-02 0.104588D-02 -0.832672D-02 -0.146354D-01 0.310253D-02 7 0.187400D-02 -0.375594D-02 -0.608254D-03 -0.161906D-01 0.218208D-01 8 -0.301474D-02 -0.998622D-02 0.587339D-02 0.248298D-01 -0.333013D-01 9 -0.956370D-03 0.637537D-02 -0.295019D-02 0.271660D-02 -0.264404D-02 10 -0.362931D-02 0.837594D-02 -0.208090D-02 -0.415745D-03 0.277458D-03 11 0.748970D-02 -0.494215D-02 0.372678D-02 0.231229D-03 -0.979731D-03 12 -0.194038D-02 0.414187D-02 -0.235824D-02 0.415586D-04 -0.405868D-03 13 -0.830333D-03 -0.941847D-03 -0.206732D-02 -0.268787D-04 -0.631762D-04 14 -0.508550D-03 -0.444098D-03 -0.345273D-02 -0.339199D-03 -0.831692D-04 15 -0.142689D-02 -0.627430D-02 -0.200301D-01 -0.158814D-03 -0.353465D-03 16 -0.128965D-02 -0.121696D-03 0.292190D-04 -0.245671D-03 0.534101D-03 17 -0.120416D-03 -0.817262D-03 -0.110948D-03 -0.111348D-03 0.363543D-03 18 0.293782D-04 -0.117169D-03 -0.130393D-02 0.190936D-03 -0.576797D-03 19 -0.166609D-01 -0.460717D-02 -0.676178D-02 -0.491082D-03 -0.978787D-04 20 -0.730194D-02 -0.135172D-02 -0.321739D-02 -0.138753D-03 0.168606D-03 21 -0.640388D-02 -0.201983D-02 -0.330584D-02 0.458878D-03 0.287719D-03 22 -0.122693D-02 0.165397D-02 0.131976D-02 -0.330143D-03 0.770486D-03 23 0.180086D-02 -0.123796D-01 -0.378658D-02 0.405663D-03 -0.645452D-03 24 0.152691D-02 -0.469595D-02 0.258806D-02 -0.224830D-03 0.921919D-05 25 -0.124557D-01 0.128564D-01 -0.291452D-02 -0.149259D-02 -0.277328D-02 26 0.128400D-01 -0.619493D-01 0.120684D-01 0.324471D-03 0.288403D-02 27 -0.295277D-02 0.120708D-01 -0.120588D-01 0.130967D-02 0.111053D-02 28 0.381315D-02 0.302542D-02 -0.693778D-03 0.559062D-03 0.176457D-02 29 0.301501D-02 -0.780284D-02 0.283872D-02 -0.683662D-03 -0.349137D-02 30 -0.681381D-03 0.280373D-02 0.388804D-02 -0.204646D-03 0.793705D-04 6 7 8 9 10 6 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0.222503D-02 -0.909956D-02 0.140517D-01 19 0.606259D-04 -0.565310D-04 0.571557D-04 0.219614D-01 20 -0.822079D-03 0.749114D-04 -0.394772D-03 0.163533D-01 0.505125D-01 21 0.147064D-03 -0.390458D-04 0.212031D-04 0.795186D-02 0.204538D-02 22 -0.235528D-02 0.458864D-02 -0.377910D-02 0.964429D-04 -0.414367D-03 23 0.381953D-02 -0.119931D-01 0.967231D-02 -0.481855D-04 -0.102228D-02 24 -0.484320D-02 0.146765D-01 -0.123499D-01 0.601707D-04 0.259553D-03 25 0.267283D-02 0.116758D-02 -0.259358D-03 -0.257669D-02 0.747785D-03 26 0.116160D-02 -0.181920D-02 0.106412D-02 -0.292524D-02 0.299904D-02 27 -0.262804D-03 0.106401D-02 0.272109D-02 -0.976830D-03 -0.363100D-04 28 -0.121746D-02 -0.329238D-03 0.727429D-04 0.388607D-03 -0.177407D-05 29 -0.329609D-03 0.501111D-04 -0.302993D-03 0.292858D-02 -0.311635D-02 30 0.730652D-04 -0.294817D-03 -0.123743D-02 -0.138282D-03 0.358650D-03 21 22 23 24 25 21 0.362766D-02 22 -0.364823D-04 0.159187D-01 23 0.171964D-03 -0.107361D-01 0.493781D-01 24 -0.460348D-03 0.122839D-01 -0.201242D-01 0.679669D-01 25 -0.141233D-02 -0.741809D-03 0.226029D-03 -0.534411D-03 0.820219D-01 26 -0.167059D-02 0.316458D-03 -0.127900D-02 0.115322D-02 -0.218955D+00 27 0.657238D-05 -0.398294D-03 0.597208D-03 -0.252071D-02 0.502661D-01 28 0.210238D-03 0.272335D-03 -0.104947D-03 0.296467D-03 -0.646245D-01 29 0.166818D-02 -0.955701D-04 0.252587D-03 -0.573840D-03 0.207681D+00 30 -0.208178D-03 0.298601D-03 -0.624204D-03 0.137650D-02 -0.477366D-01 26 27 28 29 30 26 0.928094D+00 27 -0.206590D+00 0.763249D-01 28 0.207690D+00 -0.477368D-01 0.594471D-01 29 -0.867256D+00 0.196038D+00 -0.213244D+00 0.883439D+00 30 0.196027D+00 -0.591394D-01 0.490038D-01 -0.201210D+00 0.537680D-01 Leave Link 716 at Fri Apr 11 14:07:38 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000025254 RMS 0.000006638 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 --- -0.00012 0.00013 0.00017 0.00116 0.00121 Eigenvalues --- 0.00450 0.00479 0.00489 0.00704 0.00708 Eigenvalues --- 0.01063 0.01090 0.01135 0.01257 0.01270 Eigenvalues --- 0.01836 0.01862 0.01887 0.02440 0.04007 Eigenvalues --- 0.04047 0.04064 0.09856 0.981871000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.00000 Eigenvalue 1 out of range, new value = 0.000124 Eigenvector: 1 R1 0.00129 R2 -0.00637 R3 0.00104 R4 -0.00098 R5 0.00024 R6 -0.00027 R7 0.00649 R8 -0.00041 R9 0.01486 R10 0.00224 R11 -0.00084 R12 -0.00072 R13 0.00032 R14 0.00045 R15 -0.00219 R16 -0.00003 R17 -0.01666 R18 -0.00043 R19 0.00531 R20 -0.00002 A1 0.03018 A2 0.00242 A3 -0.00002 A4 -0.01496 A5 -0.02721 A6 0.02789 A7 -0.03581 A8 -0.03188 A9 -0.00055 A10 0.01240 A11 -0.00050 A12 0.03434 A13 -0.00194 A14 -0.00358 A15 0.03584 A16 0.00618 A17 -0.02948 A18 -0.04525 A19 -0.00836 A20 0.04333 A21 0.00219 A22 0.00393 A23 -0.00069 A24 -0.00084 A25 0.03101 A26 -0.03699 A27 -0.00641 A28 0.00159 A29 -0.01076 A30 0.00500 A31 0.00802 A32 -0.00618 A33 0.00199 D1 -0.01983 D2 -0.00343 D3 -0.00428 D4 -0.00375 D5 -0.01904 D6 -0.00252 D7 -0.01791 D8 -0.01809 D9 -0.00198 D10 -0.00013 D11 0.00548 D12 -0.01090 D13 0.00441 D14 0.00628 D15 -0.01192 D16 0.07717 D17 0.47447 D18 0.07850 D19 -0.00109 D20 0.00766 D21 0.00258 D22 -0.03230 D23 -0.02356 D24 -0.02863 D25 -0.12617 D26 -0.11584 D27 0.10622 D28 0.63928 D29 0.10808 D30 -0.13041 D31 0.08328 D32 0.08213 D33 0.48715 D34 -0.00352 D35 0.00804 D36 0.00098 D37 -0.03825 D38 -0.02669 D39 -0.03375 D40 -0.00638 D41 -0.00467 D42 -0.00360 D43 -0.05998 D44 -0.05826 D45 -0.05719 Angle between quadratic step and forces= 74.42 degrees. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00165216 RMS(Int)= 0.00000484 Iteration 2 RMS(Cart)= 0.00000277 RMS(Int)= 0.00000283 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000283 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.75852 0.00000 0.00000 0.00033 0.00033 4.75885 R2 4.95670 0.00001 0.00000 0.00068 0.00068 4.95738 R3 4.95916 0.00002 0.00000 0.00234 0.00234 4.96150 R4 4.75914 -0.00001 0.00000 -0.00047 -0.00047 4.75867 R5 7.99472 -0.00001 0.00000 0.00088 0.00088 7.99560 R6 4.75607 0.00001 0.00000 0.00094 0.00094 4.75701 R7 4.96159 0.00001 0.00000 0.00075 0.00075 4.96234 R8 4.44875 0.00001 0.00000 -0.00011 -0.00011 4.44865 R9 6.11190 0.00001 0.00000 0.00401 0.00401 6.11591 R10 4.72663 -0.00001 0.00000 -0.00037 -0.00038 4.72625 R11 4.72014 -0.00003 0.00000 -0.00111 -0.00111 4.71903 R12 4.72139 -0.00002 0.00000 -0.00085 -0.00085 4.72053 R13 4.72130 -0.00003 0.00000 -0.00104 -0.00104 4.72026 R14 4.45040 0.00000 0.00000 -0.00015 -0.00015 4.45025 R15 4.72328 -0.00001 0.00000 -0.00083 -0.00083 4.72245 R16 4.44959 0.00000 0.00000 -0.00007 -0.00007 4.44952 R17 6.09013 0.00001 0.00000 0.00611 0.00612 6.09624 R18 4.71982 -0.00002 0.00000 -0.00071 -0.00071 4.71911 R19 6.10731 0.00000 0.00000 -0.00586 -0.00586 6.10145 R20 2.21937 -0.00002 0.00000 -0.00004 -0.00004 2.21933 A1 1.81505 0.00000 0.00000 -0.00111 -0.00111 1.81394 A2 2.10291 0.00000 0.00000 -0.00061 -0.00062 2.10229 A3 1.53253 0.00000 0.00000 -0.00048 -0.00048 1.53204 A4 2.07772 0.00000 0.00000 -0.00013 -0.00013 2.07759 A5 1.81811 0.00000 0.00000 0.00032 0.00032 1.81843 A6 1.81866 0.00000 0.00000 -0.00133 -0.00133 1.81732 A7 1.81224 -0.00001 0.00000 -0.00004 -0.00004 1.81220 A8 1.81170 0.00000 0.00000 0.00054 0.00054 1.81224 A9 1.53241 0.00000 0.00000 -0.00029 -0.00030 1.53211 A10 2.09504 0.00000 0.00000 0.00057 0.00057 2.09561 A11 1.53327 -0.00001 0.00000 -0.00058 -0.00058 1.53269 A12 1.82170 -0.00001 0.00000 -0.00144 -0.00144 1.82025 A13 0.63846 0.00000 0.00000 -0.00054 -0.00054 0.63791 A14 1.77362 0.00000 0.00000 -0.00040 -0.00040 1.77322 A15 1.97444 0.00000 0.00000 -0.00031 -0.00031 1.97413 A16 2.99995 0.00000 0.00000 0.00038 0.00037 3.00032 A17 1.98060 0.00000 0.00000 0.00104 0.00104 1.98164 A18 1.96905 0.00000 0.00000 0.00062 0.00062 1.96968 A19 2.99723 0.00000 0.00000 -0.00005 -0.00006 2.99717 A20 1.98291 0.00000 0.00000 -0.00085 -0.00085 1.98206 A21 0.64133 0.00000 0.00000 -0.00082 -0.00083 0.64051 A22 1.77756 0.00000 0.00000 -0.00054 -0.00055 1.77702 A23 0.63905 0.00000 0.00000 0.00076 0.00076 0.63981 A24 1.77497 0.00000 0.00000 0.00126 0.00126 1.77622 A25 1.97961 0.00000 0.00000 -0.00120 -0.00120 1.97841 A26 1.97151 0.00000 0.00000 0.00153 0.00153 1.97304 A27 2.99783 0.00000 0.00000 0.00022 0.00020 2.99803 A28 1.48779 0.00000 0.00000 -0.00188 -0.00188 1.48591 A29 1.47130 0.00000 0.00000 0.00045 0.00045 1.47174 A30 2.25155 0.00000 0.00000 0.00124 0.00124 2.25278 A31 1.48386 0.00000 0.00000 0.00035 0.00035 1.48421 A32 2.24434 0.00000 0.00000 0.00186 0.00187 2.24620 A33 2.24959 0.00000 0.00000 -0.00239 -0.00239 2.24720 D1 -2.63211 0.00000 0.00000 0.00291 0.00291 -2.62920 D2 1.63350 0.00001 0.00000 0.00342 0.00342 1.63692 D3 3.13714 0.00001 0.00000 0.00284 0.00284 3.13998 D4 -1.63950 0.00000 0.00000 0.00191 0.00191 -1.63759 D5 2.62495 0.00001 0.00000 0.00358 0.00358 2.62852 D6 -1.63797 -0.00001 0.00000 -0.00287 -0.00287 -1.64084 D7 -2.63021 -0.00001 0.00000 -0.00205 -0.00205 -2.63226 D8 2.62591 0.00000 0.00000 -0.00152 -0.00152 2.62439 D9 3.14151 0.00000 0.00000 -0.00218 -0.00218 3.13933 D10 1.63633 0.00000 0.00000 -0.00130 -0.00129 1.63504 D11 1.64004 0.00000 0.00000 0.00023 0.00023 1.64027 D12 2.63085 0.00000 0.00000 0.00006 0.00006 2.63091 D13 -1.63235 -0.00001 0.00000 -0.00136 -0.00136 -1.63371 D14 -3.13703 0.00000 0.00000 -0.00064 -0.00064 -3.13767 D15 -2.62631 -0.00001 0.00000 -0.00050 -0.00050 -2.62681 D16 -0.58454 0.00000 0.00000 -0.00036 -0.00036 -0.58490 D17 -0.04833 0.00000 0.00000 -0.00955 -0.00955 -0.05788 D18 0.56662 0.00000 0.00000 -0.00023 -0.00022 0.56639 D19 -0.74016 0.00000 0.00000 0.00073 0.00073 -0.73943 D20 0.75130 0.00000 0.00000 0.00123 0.00123 0.75253 D21 -3.14115 0.00001 0.00000 -0.00092 -0.00092 3.14112 D22 -0.73268 0.00000 0.00000 -0.00108 -0.00108 -0.73376 D23 0.75877 0.00000 0.00000 -0.00058 -0.00058 0.75819 D24 -3.13367 0.00000 0.00000 -0.00273 -0.00273 -3.13640 D25 -0.00517 0.00000 0.00000 0.00271 0.00271 -0.00247 D26 -0.00264 0.00000 0.00000 0.00334 0.00333 0.00069 D27 0.59268 0.00000 0.00000 -0.00224 -0.00224 0.59045 D28 0.10319 0.00000 0.00000 -0.01015 -0.01015 0.09304 D29 -0.55677 0.00000 0.00000 -0.00213 -0.00212 -0.55889 D30 -0.01871 0.00000 0.00000 0.00328 0.00328 -0.01544 D31 -0.56562 0.00000 0.00000 -0.00433 -0.00433 -0.56994 D32 0.58581 0.00000 0.00000 -0.00409 -0.00409 0.58173 D33 0.05853 0.00000 0.00000 -0.02067 -0.02068 0.03785 D34 0.73653 0.00000 0.00000 -0.00024 -0.00024 0.73629 D35 -0.74133 0.00000 0.00000 -0.00081 -0.00081 -0.74214 D36 -3.14040 0.00000 0.00000 0.00096 0.00096 -3.13944 D37 0.73224 0.00000 0.00000 0.00324 0.00323 0.73547 D38 -0.74562 0.00000 0.00000 0.00266 0.00266 -0.74296 D39 3.13850 0.00000 0.00000 0.00443 0.00443 -3.14026 D40 -0.75104 0.00000 0.00000 0.00054 0.00054 -0.75051 D41 0.74475 0.00000 0.00000 -0.00142 -0.00142 0.74332 D42 3.13993 0.00000 0.00000 -0.00005 -0.00005 3.13988 D43 -0.76277 0.00000 0.00000 0.00185 0.00185 -0.76092 D44 0.73302 0.00000 0.00000 -0.00011 -0.00011 0.73290 D45 3.12820 0.00000 0.00000 0.00127 0.00127 3.12946 Item Value Threshold Converged? Maximum Force 0.000025 0.000450 YES RMS Force 0.000007 0.000300 YES Maximum Displacement 0.007378 0.001800 NO RMS Displacement 0.001653 0.001200 NO Predicted change in Energy=-3.459011D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Fri Apr 11 14:07:39 2008, MaxMem= 1258291200 cpu: 0.3