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/331958/Gau-10669.inp -scrdir=/scratch/batch/331958/ Entering Link 1 = /usr/apps/chemistry/gaussian/G03/e01/g03/l1.exe PID= 10670. 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=Cu8CO05.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 14:21:47 2008, MaxMem= 1258291200 cpu: 0.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l101.exe) ------- Cu8CO05 ------- Redundant internal coordinates taken from checkpoint file: Cu8CO05.chk Charge = 0 Multiplicity = 1 Cu,0,1.3278500554,0.7938233199,1.5186273173 Cu,0,1.0606139914,0.3546016416,-0.9058606193 Cu,0,-0.9993623507,1.4206222332,-1.8715676819 Cu,0,-0.9460414413,0.7098438532,0.5356820876 Cu,0,0.466875564,-1.4913285913,0.8855118332 Cu,0,1.2487602613,-2.0564658771,-1.4490118799 Cu,0,-0.9952916017,-1.0169931101,-1.2671093172 Cu,0,-2.0573353883,-1.4720455592,0.9262527371 C,0,1.1273342905,-2.8116674567,2.1107000932 O,0,1.5295473092,-3.6235344331,2.8507218208 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 14:21:48 2008, MaxMem= 1258291200 cpu: 0.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 2.4784 estimate D2E/DX2 ! ! R2 R(1,4) 2.4787 estimate D2E/DX2 ! ! R3 R(1,5) 2.5227 estimate D2E/DX2 ! ! R4 R(2,3) 2.5125 estimate D2E/DX2 ! ! R5 R(2,4) 2.4962 estimate D2E/DX2 ! ! R6 R(2,6) 2.4786 estimate D2E/DX2 ! ! R7 R(2,7) 2.4977 estimate D2E/DX2 ! ! R8 R(3,4) 2.5106 estimate D2E/DX2 ! ! R9 R(3,7) 2.5114 estimate D2E/DX2 ! ! R10 R(4,7) 2.4969 estimate D2E/DX2 ! ! R11 R(4,8) 2.4795 estimate D2E/DX2 ! ! R12 R(5,6) 2.526 estimate D2E/DX2 ! ! R13 R(5,7) 2.6451 estimate D2E/DX2 ! ! R14 R(5,8) 2.5246 estimate D2E/DX2 ! ! R15 R(5,9) 1.9185 estimate D2E/DX2 ! ! R16 R(6,7) 2.4798 estimate D2E/DX2 ! ! R17 R(7,8) 2.4791 estimate D2E/DX2 ! ! R18 R(9,10) 1.1698 estimate D2E/DX2 ! ! A1 A(2,1,5) 63.7148 estimate D2E/DX2 ! ! A2 A(4,1,5) 63.6848 estimate D2E/DX2 ! ! A3 A(1,2,3) 112.9059 estimate D2E/DX2 ! ! A4 A(1,2,6) 112.2451 estimate D2E/DX2 ! ! A5 A(1,2,7) 109.1207 estimate D2E/DX2 ! ! A6 A(3,2,6) 113.0002 estimate D2E/DX2 ! ! A7 A(4,2,6) 109.0265 estimate D2E/DX2 ! ! A8 A(1,4,3) 112.9629 estimate D2E/DX2 ! ! A9 A(1,4,7) 109.1383 estimate D2E/DX2 ! ! A10 A(1,4,8) 112.2411 estimate D2E/DX2 ! ! A11 A(2,4,8) 109.0278 estimate D2E/DX2 ! ! A12 A(3,4,8) 112.9946 estimate D2E/DX2 ! ! A13 A(1,5,6) 109.2058 estimate D2E/DX2 ! ! A14 A(1,5,7) 103.324 estimate D2E/DX2 ! ! A15 A(1,5,8) 109.285 estimate D2E/DX2 ! ! A16 A(1,5,9) 110.2213 estimate D2E/DX2 ! ! A17 A(6,5,8) 109.0327 estimate D2E/DX2 ! ! A18 A(6,5,9) 109.2492 estimate D2E/DX2 ! ! A19 A(7,5,9) 146.4526 estimate D2E/DX2 ! ! A20 A(8,5,9) 109.8255 estimate D2E/DX2 ! ! A21 A(2,6,5) 63.6633 estimate D2E/DX2 ! ! A22 A(2,7,5) 61.6908 estimate D2E/DX2 ! ! A23 A(2,7,8) 108.9935 estimate D2E/DX2 ! ! A24 A(3,7,5) 111.766 estimate D2E/DX2 ! ! A25 A(3,7,6) 112.996 estimate D2E/DX2 ! ! A26 A(3,7,8) 112.9799 estimate D2E/DX2 ! ! A27 A(4,7,5) 61.6756 estimate D2E/DX2 ! ! A28 A(4,7,6) 108.9665 estimate D2E/DX2 ! ! A29 A(6,7,8) 112.0635 estimate D2E/DX2 ! ! A30 A(4,8,5) 63.6449 estimate D2E/DX2 ! ! A31 A(5,9,10) 179.5204 estimate D2E/DX2 ! ! D1 D(5,1,2,3) 102.6176 estimate D2E/DX2 ! ! D2 D(5,1,2,6) -26.5148 estimate D2E/DX2 ! ! D3 D(5,1,2,7) 37.7748 estimate D2E/DX2 ! ! D4 D(5,1,4,3) -102.705 estimate D2E/DX2 ! ! D5 D(5,1,4,7) -37.8064 estimate D2E/DX2 ! ! D6 D(5,1,4,8) 26.4659 estimate D2E/DX2 ! ! D7 D(2,1,5,6) 25.4263 estimate D2E/DX2 ! ! D8 D(2,1,5,7) -34.1683 estimate D2E/DX2 ! ! D9 D(2,1,5,8) -93.7661 estimate D2E/DX2 ! ! D10 D(2,1,5,9) 145.4497 estimate D2E/DX2 ! ! D11 D(4,1,5,6) 93.7737 estimate D2E/DX2 ! ! D12 D(4,1,5,7) 34.1791 estimate D2E/DX2 ! ! D13 D(4,1,5,8) -25.4187 estimate D2E/DX2 ! ! D14 D(4,1,5,9) -146.2029 estimate D2E/DX2 ! ! D15 D(6,2,4,8) 0.0075 estimate D2E/DX2 ! ! D16 D(1,2,6,5) 26.4901 estimate D2E/DX2 ! ! D17 D(3,2,6,5) -102.5932 estimate D2E/DX2 ! ! D18 D(4,2,6,5) -37.7657 estimate D2E/DX2 ! ! D19 D(1,2,7,5) -36.5097 estimate D2E/DX2 ! ! D20 D(1,2,7,8) -0.1576 estimate D2E/DX2 ! ! D21 D(1,4,7,5) 36.5349 estimate D2E/DX2 ! ! D22 D(1,4,7,6) 0.1172 estimate D2E/DX2 ! ! D23 D(1,4,8,5) -26.4542 estimate D2E/DX2 ! ! D24 D(2,4,8,5) 37.7895 estimate D2E/DX2 ! ! D25 D(3,4,8,5) 102.7002 estimate D2E/DX2 ! ! D26 D(1,5,6,2) -25.4358 estimate D2E/DX2 ! ! D27 D(8,5,6,2) 93.913 estimate D2E/DX2 ! ! D28 D(9,5,6,2) -146.0555 estimate D2E/DX2 ! ! D29 D(1,5,7,2) 34.5789 estimate D2E/DX2 ! ! D30 D(1,5,7,3) -0.0603 estimate D2E/DX2 ! ! D31 D(1,5,7,4) -34.6025 estimate D2E/DX2 ! ! D32 D(9,5,7,2) -144.7726 estimate D2E/DX2 ! ! D33 D(9,5,7,3) -179.4117 estimate D2E/DX2 ! ! D34 D(9,5,7,4) 146.0461 estimate D2E/DX2 ! ! D35 D(1,5,8,4) 25.4184 estimate D2E/DX2 ! ! D36 D(6,5,8,4) -93.8811 estimate D2E/DX2 ! ! D37 D(9,5,8,4) 146.4436 estimate D2E/DX2 ! ! D38 D(1,5,9,10) -151.6458 estimate D2E/DX2 ! ! D39 D(6,5,9,10) -31.6487 estimate D2E/DX2 ! ! D40 D(7,5,9,10) 27.6816 estimate D2E/DX2 ! ! D41 D(8,5,9,10) 87.8943 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 14:21:48 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 1.327850 0.793823 1.518627 2 29 0 1.060614 0.354602 -0.905861 3 29 0 -0.999362 1.420622 -1.871568 4 29 0 -0.946041 0.709844 0.535682 5 29 0 0.466876 -1.491329 0.885512 6 29 0 1.248760 -2.056466 -1.449012 7 29 0 -0.995292 -1.016993 -1.267109 8 29 0 -2.057335 -1.472046 0.926253 9 6 0 1.127334 -2.811667 2.110700 10 8 0 1.529547 -3.623534 2.850722 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.478401 0.000000 3 Cu 4.159593 2.512467 0.000000 4 Cu 2.478672 2.496179 2.510558 0.000000 5 Cu 2.522703 2.639886 4.269754 2.638916 0.000000 6 Cu 4.115493 2.478641 4.162061 4.050757 2.526010 7 Cu 4.054180 2.497703 2.511445 2.496888 2.645129 8 Cu 4.116376 4.051529 4.161086 2.479549 2.524613 9 C 3.659279 4.373711 6.188180 4.379567 1.918486 10 O 4.618247 5.491573 7.357915 5.501465 3.088304 6 7 8 9 10 6 Cu 0.000000 7 Cu 2.479791 0.000000 8 Cu 4.112627 2.479082 0.000000 9 C 3.640965 4.374471 3.652345 0.000000 10 O 4.585003 5.488661 4.604152 1.169844 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): 0.3466581 0.2522485 0.2520676 Leave Link 202 at Fri Apr 11 14:21:49 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2114.4138876600 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 14:21:49 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= 2742 LenP2D= 11498. 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= 614 NPtTot= 106390 NUsed= 110729 NTot= 110761 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 14:21:53 2008, MaxMem= 1258291200 cpu: 9.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Fri Apr 11 14:21:53 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= -1513.69032145364 Leave Link 401 at Fri Apr 11 14:21:56 2008, MaxMem= 1258291200 cpu: 7.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 110728 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234375. IEnd= 284411 IEndB= 284411 NGot=1258291200 MDV=1012634636 LenX=1012634636 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= -1679.68964396668 DIIS: error= 1.34D-01 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1679.68964396668 IErMin= 1 ErrMin= 1.34D-01 ErrMax= 1.34D-01 EMaxC= 1.00D-01 BMatC= 3.96D+00 BMatP= 3.96D+00 IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= -0.028 Goal= None Shift= 0.000 GapD= -0.028 DampG=0.250 DampE=0.125 DampFc=0.1250 IDamp=-1. Damping current iteration by 1.25D-01 RMSDP=3.25D+00 MaxDP=1.17D+02 OVMax= 9.81D-01 Cycle 2 Pass 1 IDiag 1: E= -1677.09899041792 Delta-E= 2.590653548767 Rises=F Damp=T DIIS: error= 4.65D-02 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1679.68964396668 IErMin= 2 ErrMin= 4.65D-02 ErrMax= 4.65D-02 EMaxC= 1.00D-01 BMatC= 4.41D-01 BMatP= 3.96D+00 IDIUse=3 WtCom= 5.35D-01 WtEn= 4.65D-01 Coeff-Com: -0.610D-01 0.106D+01 Coeff-En: 0.731D+00 0.269D+00 Coeff: 0.307D+00 0.693D+00 Gap= 0.002 Goal= None Shift= 0.000 RMSDP=4.05D-01 MaxDP=1.45D+01 DE= 2.59D+00 OVMax= 8.92D-01 Cycle 3 Pass 1 IDiag 1: E= -1681.20736209280 Delta-E= -4.108371674884 Rises=F Damp=F DIIS: error= 9.10D-02 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1681.20736209280 IErMin= 2 ErrMin= 4.65D-02 ErrMax= 9.10D-02 EMaxC= 1.00D-01 BMatC= 1.18D+00 BMatP= 4.41D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 1 forward-backward iterations Coeff-En: 0.241D+00 0.772D-02 0.752D+00 Coeff: 0.241D+00 0.772D-02 0.752D+00 Gap= 1.009 Goal= None Shift= 0.000 RMSDP=6.59D-01 MaxDP=4.44D+01 DE=-4.11D+00 OVMax= 8.45D-01 Cycle 4 Pass 1 IDiag 1: E= -1510.08794997643 Delta-E= 171.119412116375 Rises=F Damp=F DIIS: error= 4.51D-01 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 3 EnMin= -1681.20736209280 IErMin= 2 ErrMin= 4.65D-02 ErrMax= 4.51D-01 EMaxC= 1.00D-01 BMatC= 8.72D+01 BMatP= 4.41D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 6 forward-backward iterations Coeff-En: 0.257D+00 0.000D+00 0.718D+00 0.249D-01 Coeff: 0.257D+00 0.000D+00 0.718D+00 0.249D-01 Gap= -0.005 Goal= None Shift= 0.000 RMSDP=6.55D-01 MaxDP=4.40D+01 DE= 1.71D+02 OVMax= 8.92D-01 Cycle 5 Pass 1 IDiag 1: E= -1672.37204812106 Delta-E= -162.284098144631 Rises=F Damp=F DIIS: error= 2.38D-01 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 3 EnMin= -1681.20736209280 IErMin= 2 ErrMin= 4.65D-02 ErrMax= 2.38D-01 EMaxC= 1.00D-01 BMatC= 1.37D+01 BMatP= 4.41D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 3 forward-backward iterations Coeff-En: 0.207D+00 0.000D+00 0.626D+00 0.000D+00 0.167D+00 Coeff: 0.207D+00 0.000D+00 0.626D+00 0.000D+00 0.167D+00 Gap= -0.131 Goal= None Shift= 0.000 RMSDP=1.98D-02 MaxDP=8.04D-01 DE=-1.62D+02 OVMax= 7.62D-01 Cycle 6 Pass 1 IDiag 1: E= -1679.83215004512 Delta-E= -7.460101924061 Rises=F Damp=F DIIS: error= 1.14D-01 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 3 EnMin= -1681.20736209280 IErMin= 2 ErrMin= 4.65D-02 ErrMax= 1.14D-01 EMaxC= 1.00D-01 BMatC= 3.92D+00 BMatP= 4.41D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 3 forward-backward iterations Coeff-En: 0.119D+00 0.000D+00 0.539D+00 0.000D+00 0.618D-01 0.280D+00 Coeff: 0.119D+00 0.000D+00 0.539D+00 0.000D+00 0.618D-01 0.280D+00 Gap= 0.216 Goal= None Shift= 0.000 RMSDP=1.48D-02 MaxDP=3.20D-01 DE=-7.46D+00 OVMax= 4.31D-01 Cycle 7 Pass 1 IDiag 1: E= -1681.26379351030 Delta-E= -1.431643465187 Rises=F Damp=F DIIS: error= 7.31D-02 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1681.26379351030 IErMin= 2 ErrMin= 4.65D-02 ErrMax= 7.31D-02 EMaxC= 1.00D-01 BMatC= 2.29D+00 BMatP= 4.41D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 3 forward-backward iterations Coeff-En: 0.000D+00 0.000D+00 0.389D+00 0.000D+00 0.000D+00 0.247D+00 Coeff-En: 0.364D+00 Coeff: 0.000D+00 0.000D+00 0.389D+00 0.000D+00 0.000D+00 0.247D+00 Coeff: 0.364D+00 Gap= 0.285 Goal= None Shift= 0.000 RMSDP=8.86D-03 MaxDP=2.19D-01 DE=-1.43D+00 OVMax= 2.81D-01 Cycle 8 Pass 1 IDiag 1: E= -1682.43073529315 Delta-E= -1.166941782843 Rises=F Damp=F DIIS: error= 3.33D-02 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.43073529315 IErMin= 8 ErrMin= 3.33D-02 ErrMax= 3.33D-02 EMaxC= 1.00D-01 BMatC= 4.15D-01 BMatP= 4.41D-01 IDIUse=3 WtCom= 6.67D-01 WtEn= 3.33D-01 Coeff-Com: -0.141D+00 0.245D+00 0.147D+00-0.182D-02-0.134D-01 0.458D-01 Coeff-Com: 0.186D+00 0.532D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.230D+00 0.770D+00 Coeff: -0.942D-01 0.164D+00 0.984D-01-0.122D-02-0.896D-02 0.306D-01 Coeff: 0.201D+00 0.611D+00 Gap= 0.138 Goal= None Shift= 0.000 RMSDP=5.08D-03 MaxDP=1.11D-01 DE=-1.17D+00 OVMax= 1.23D-01 Cycle 9 Pass 1 IDiag 1: E= -1682.64543570985 Delta-E= -0.214700416704 Rises=F Damp=F DIIS: error= 1.99D-02 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.64543570985 IErMin= 9 ErrMin= 1.99D-02 ErrMax= 1.99D-02 EMaxC= 1.00D-01 BMatC= 1.21D-01 BMatP= 4.15D-01 IDIUse=3 WtCom= 8.01D-01 WtEn= 1.99D-01 Coeff-Com: -0.158D+00 0.161D+00 0.227D-01-0.352D-03-0.113D-01-0.760D-02 Coeff-Com: 0.794D-01 0.473D+00 0.441D+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 0.201D+00 0.799D+00 Coeff: -0.126D+00 0.129D+00 0.182D-01-0.282D-03-0.906D-02-0.609D-02 Coeff: 0.636D-01 0.419D+00 0.512D+00 Gap= 0.124 Goal= None Shift= 0.000 RMSDP=2.90D-03 MaxDP=4.99D-02 DE=-2.15D-01 OVMax= 3.85D-02 Cycle 10 Pass 1 IDiag 1: E= -1682.68622354616 Delta-E= -0.040787836313 Rises=F Damp=F DIIS: error= 2.17D-02 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.68622354616 IErMin= 9 ErrMin= 1.99D-02 ErrMax= 2.17D-02 EMaxC= 1.00D-01 BMatC= 7.45D-02 BMatP= 1.21D-01 IDIUse=3 WtCom= 8.01D-01 WtEn= 1.99D-01 Coeff-Com: -0.122D+00 0.127D+00 0.533D-02-0.119D-03 0.214D-02 0.157D-02 Coeff-Com: -0.822D-02 0.190D+00 0.317D+00 0.487D+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 0.296D+00 0.704D+00 Coeff: -0.978D-01 0.102D+00 0.427D-02-0.951D-04 0.172D-02 0.126D-02 Coeff: -0.658D-02 0.152D+00 0.313D+00 0.530D+00 Gap= 0.113 Goal= None Shift= 0.000 RMSDP=1.54D-03 MaxDP=3.42D-02 DE=-4.08D-02 OVMax= 3.36D-02 Cycle 11 Pass 1 IDiag 1: E= -1682.72394962166 Delta-E= -0.037726075495 Rises=F Damp=F DIIS: error= 1.07D-02 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.72394962166 IErMin=11 ErrMin= 1.07D-02 ErrMax= 1.07D-02 EMaxC= 1.00D-01 BMatC= 3.08D-02 BMatP= 7.45D-02 IDIUse=3 WtCom= 8.93D-01 WtEn= 1.07D-01 Coeff-Com: -0.966D-01 0.864D-01-0.626D-02-0.422D-03 0.181D-02 0.920D-02 Coeff-Com: 0.900D-03 0.241D-01 0.766D-01 0.327D+00 0.577D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: -0.863D-01 0.771D-01-0.559D-02-0.377D-03 0.162D-02 0.821D-02 Coeff: 0.804D-03 0.215D-01 0.684D-01 0.292D+00 0.623D+00 Gap= 0.111 Goal= None Shift= 0.000 RMSDP=6.75D-04 MaxDP=1.98D-02 DE=-3.77D-02 OVMax= 1.52D-02 Cycle 12 Pass 1 IDiag 1: E= -1682.72854937017 Delta-E= -0.004599748506 Rises=F Damp=F DIIS: error= 1.10D-02 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.72854937017 IErMin=11 ErrMin= 1.07D-02 ErrMax= 1.10D-02 EMaxC= 1.00D-01 BMatC= 2.34D-02 BMatP= 3.08D-02 IDIUse=3 WtCom= 8.93D-01 WtEn= 1.07D-01 Coeff-Com: -0.753D-01 0.660D-01-0.110D-02-0.403D-03 0.974D-03 0.885D-02 Coeff-Com: 0.970D-02-0.438D-01-0.830D-01-0.314D-01 0.378D+00 0.772D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: -0.673D-01 0.589D-01-0.986D-03-0.360D-03 0.870D-03 0.790D-02 Coeff: 0.866D-02-0.391D-01-0.741D-01-0.280D-01 0.337D+00 0.796D+00 Gap= 0.108 Goal= None Shift= 0.000 RMSDP=5.38D-04 MaxDP=1.39D-02 DE=-4.60D-03 OVMax= 1.37D-02 Cycle 13 Pass 1 IDiag 1: E= -1682.73793493357 Delta-E= -0.009385563405 Rises=F Damp=F DIIS: error= 7.71D-03 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.73793493357 IErMin=13 ErrMin= 7.71D-03 ErrMax= 7.71D-03 EMaxC= 1.00D-01 BMatC= 1.32D-02 BMatP= 2.34D-02 IDIUse=3 WtCom= 9.23D-01 WtEn= 7.71D-02 Coeff-Com: -0.261D-01 0.255D-01 0.765D-02-0.821D-04 0.439D-03 0.375D-02 Coeff-Com: 0.194D-01-0.114D+00-0.258D+00-0.510D+00-0.298D+00 0.117D+01 Coeff-Com: 0.983D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.100D+01 Coeff: -0.241D-01 0.235D-01 0.706D-02-0.757D-04 0.406D-03 0.347D-02 Coeff: 0.180D-01-0.105D+00-0.238D+00-0.471D+00-0.275D+00 0.108D+01 Coeff: 0.984D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.04D-04 MaxDP=2.06D-02 DE=-9.39D-03 OVMax= 2.10D-02 Cycle 14 Pass 1 IDiag 1: E= -1682.74812963556 Delta-E= -0.010194701993 Rises=F Damp=F DIIS: error= 3.04D-03 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1682.74812963556 IErMin=14 ErrMin= 3.04D-03 ErrMax= 3.04D-03 EMaxC= 1.00D-01 BMatC= 2.42D-03 BMatP= 1.32D-02 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.04D-02 Coeff-Com: -0.231D-02 0.355D-02 0.136D-02 0.504D-04-0.287D-03 0.145D-02 Coeff-Com: 0.111D-01-0.565D-01-0.104D+00-0.228D+00-0.252D+00 0.140D+00 Coeff-Com: 0.631D+00 0.854D+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: -0.224D-02 0.345D-02 0.132D-02 0.489D-04-0.278D-03 0.141D-02 Coeff: 0.108D-01-0.548D-01-0.101D+00-0.221D+00-0.244D+00 0.136D+00 Coeff: 0.612D+00 0.858D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=4.79D-04 MaxDP=1.49D-02 DE=-1.02D-02 OVMax= 1.21D-02 Cycle 15 Pass 1 IDiag 1: E= -1682.75015576178 Delta-E= -0.002026126213 Rises=F Damp=F DIIS: error= 7.82D-04 at cycle 15 NSaved= 15. NSaved=15 IEnMin=15 EnMin= -1682.75015576178 IErMin=15 ErrMin= 7.82D-04 ErrMax= 7.82D-04 EMaxC= 1.00D-01 BMatC= 2.06D-04 BMatP= 2.42D-03 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.82D-03 Coeff-Com: 0.190D-02-0.267D-03-0.182D-03 0.287D-04-0.295D-03 0.690D-03 Coeff-Com: 0.491D-02-0.237D-01-0.264D-01-0.699D-01-0.120D+00-0.115D+00 Coeff-Com: 0.253D+00 0.638D+00 0.456D+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 0.100D+01 Coeff: 0.188D-02-0.265D-03-0.180D-03 0.285D-04-0.292D-03 0.685D-03 Coeff: 0.487D-02-0.235D-01-0.262D-01-0.694D-01-0.119D+00-0.114D+00 Coeff: 0.251D+00 0.633D+00 0.460D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=1.38D-04 MaxDP=3.12D-03 DE=-2.03D-03 OVMax= 3.31D-03 Cycle 16 Pass 1 IDiag 1: E= -1682.75031249913 Delta-E= -0.000156737351 Rises=F Damp=F DIIS: error= 2.49D-04 at cycle 16 NSaved= 16. NSaved=16 IEnMin=16 EnMin= -1682.75031249913 IErMin=16 ErrMin= 2.49D-04 ErrMax= 2.49D-04 EMaxC= 1.00D-01 BMatC= 2.12D-05 BMatP= 2.06D-04 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.49D-03 Coeff-Com: 0.104D-02-0.211D-03-0.431D-03 0.120D-04 0.398D-04 0.455D-04 Coeff-Com: 0.557D-03-0.155D-02 0.117D-01 0.148D-01-0.153D-01-0.125D+00 Coeff-Com: 0.119D-01 0.246D+00 0.334D+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 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.104D-02-0.211D-03-0.430D-03 0.120D-04 0.397D-04 0.453D-04 Coeff: 0.555D-03-0.154D-02 0.117D-01 0.147D-01-0.153D-01-0.124D+00 Coeff: 0.119D-01 0.245D+00 0.333D+00 0.524D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=3.28D-05 MaxDP=6.40D-04 DE=-1.57D-04 OVMax= 9.61D-04 Cycle 17 Pass 1 IDiag 1: E= -1682.75032743661 Delta-E= -0.000014937479 Rises=F Damp=F DIIS: error= 4.77D-05 at cycle 17 NSaved= 17. NSaved=17 IEnMin=17 EnMin= -1682.75032743661 IErMin=17 ErrMin= 4.77D-05 ErrMax= 4.77D-05 EMaxC= 1.00D-01 BMatC= 1.13D-06 BMatP= 2.12D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.149D-03-0.102D-03-0.135D-03-0.391D-06 0.438D-05 0.318D-04 Coeff-Com: 0.780D-04 0.186D-03 0.338D-02 0.329D-02-0.330D-02-0.252D-01 Coeff-Com: 0.210D-03 0.557D-01 0.903D-01 0.199D+00 0.676D+00 Coeff: 0.149D-03-0.102D-03-0.135D-03-0.391D-06 0.438D-05 0.318D-04 Coeff: 0.780D-04 0.186D-03 0.338D-02 0.329D-02-0.330D-02-0.252D-01 Coeff: 0.210D-03 0.557D-01 0.903D-01 0.199D+00 0.676D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=1.07D-05 MaxDP=2.01D-04 DE=-1.49D-05 OVMax= 6.21D-04 Cycle 18 Pass 1 IDiag 1: E= -1682.75032811068 Delta-E= -0.000000674071 Rises=F Damp=F DIIS: error= 3.62D-05 at cycle 18 NSaved= 18. NSaved=18 IEnMin=18 EnMin= -1682.75032811068 IErMin=18 ErrMin= 3.62D-05 ErrMax= 3.62D-05 EMaxC= 1.00D-01 BMatC= 3.88D-07 BMatP= 1.13D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.367D-04-0.657D-05-0.847D-05-0.575D-06 0.197D-05 0.163D-04 Coeff-Com: -0.569D-04 0.505D-03 0.879D-03 0.318D-03-0.125D-02-0.159D-02 Coeff-Com: -0.727D-03 0.105D-01 0.232D-01 0.698D-01 0.450D+00 0.448D+00 Coeff: -0.367D-04-0.657D-05-0.847D-05-0.575D-06 0.197D-05 0.163D-04 Coeff: -0.569D-04 0.505D-03 0.879D-03 0.318D-03-0.125D-02-0.159D-02 Coeff: -0.727D-03 0.105D-01 0.232D-01 0.698D-01 0.450D+00 0.448D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=6.28D-06 MaxDP=1.26D-04 DE=-6.74D-07 OVMax= 2.73D-04 Cycle 19 Pass 1 IDiag 1: E= -1682.75032860415 Delta-E= -0.000000493470 Rises=F Damp=F DIIS: error= 6.43D-06 at cycle 19 NSaved= 19. NSaved=19 IEnMin=19 EnMin= -1682.75032860415 IErMin=19 ErrMin= 6.43D-06 ErrMax= 6.43D-06 EMaxC= 1.00D-01 BMatC= 3.21D-08 BMatP= 3.88D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.332D-04 0.571D-05 0.287D-05-0.214D-06 0.235D-05 0.100D-04 Coeff-Com: -0.499D-04 0.385D-03 0.479D-03 0.162D-03-0.939D-03-0.636D-03 Coeff-Com: -0.163D-03 0.611D-02 0.126D-01 0.407D-01 0.267D+00 0.310D+00 Coeff-Com: 0.365D+00 Coeff: -0.332D-04 0.571D-05 0.287D-05-0.214D-06 0.235D-05 0.100D-04 Coeff: -0.499D-04 0.385D-03 0.479D-03 0.162D-03-0.939D-03-0.636D-03 Coeff: -0.163D-03 0.611D-02 0.126D-01 0.407D-01 0.267D+00 0.310D+00 Coeff: 0.365D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=1.36D-06 MaxDP=2.51D-05 DE=-4.93D-07 OVMax= 4.99D-05 Cycle 20 Pass 1 IDiag 1: Restarting incremental Fock formation. E= -1682.75032862611 Delta-E= -0.000000021959 Rises=F Damp=F DIIS: error= 3.58D-06 at cycle 20 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.75032862611 IErMin=20 ErrMin= 3.58D-06 ErrMax= 3.58D-06 EMaxC= 1.00D-01 BMatC= 6.00D-09 BMatP= 3.21D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.159D-05-0.143D-05 0.181D-05 0.573D-08-0.129D-06-0.317D-06 Coeff-Com: -0.433D-05 0.361D-04-0.104D-03 0.930D-04-0.184D-03-0.841D-03 Coeff-Com: 0.724D-03 0.269D-03-0.276D-02-0.434D-02-0.768D-01-0.413D-01 Coeff-Com: 0.164D+00 0.961D+00 Coeff: 0.159D-05-0.143D-05 0.181D-05 0.573D-08-0.129D-06-0.317D-06 Coeff: -0.433D-05 0.361D-04-0.104D-03 0.930D-04-0.184D-03-0.841D-03 Coeff: 0.724D-03 0.269D-03-0.276D-02-0.434D-02-0.768D-01-0.413D-01 Coeff: 0.164D+00 0.961D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=5.77D-07 MaxDP=1.10D-05 DE=-2.20D-08 OVMax= 3.27D-05 Cycle 21 Pass 1 IDiag 1: E= -1682.75032863043 Delta-E= -0.000000004320 Rises=F Damp=F DIIS: error= 4.39D-07 at cycle 21 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.75032863043 IErMin=20 ErrMin= 4.39D-07 ErrMax= 4.39D-07 EMaxC= 1.00D-01 BMatC= 1.41D-10 BMatP= 6.00D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.160D-05-0.875D-06 0.788D-06-0.871D-07-0.372D-06-0.155D-05 Coeff-Com: 0.131D-04-0.690D-04 0.590D-04-0.692D-04-0.527D-03 0.426D-03 Coeff-Com: 0.510D-04-0.177D-02-0.353D-02-0.526D-01-0.332D-01 0.931D-01 Coeff-Com: 0.559D+00 0.439D+00 Coeff: 0.160D-05-0.875D-06 0.788D-06-0.871D-07-0.372D-06-0.155D-05 Coeff: 0.131D-04-0.690D-04 0.590D-04-0.692D-04-0.527D-03 0.426D-03 Coeff: 0.510D-04-0.177D-02-0.353D-02-0.526D-01-0.332D-01 0.931D-01 Coeff: 0.559D+00 0.439D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=1.32D-07 MaxDP=3.04D-06 DE=-4.32D-09 OVMax= 3.10D-06 Cycle 22 Pass 1 IDiag 1: E= -1682.75032863051 Delta-E= -0.000000000086 Rises=F Damp=F DIIS: error= 3.61D-07 at cycle 22 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.75032863051 IErMin=20 ErrMin= 3.61D-07 ErrMax= 3.61D-07 EMaxC= 1.00D-01 BMatC= 5.39D-11 BMatP= 1.41D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.486D-06 0.229D-07-0.247D-06-0.159D-06 0.363D-06-0.333D-05 Coeff-Com: -0.135D-04 0.166D-04 0.319D-04-0.122D-03 0.514D-04-0.499D-04 Coeff-Com: -0.298D-03-0.124D-02-0.138D-01-0.122D-01 0.153D-01 0.787D-01 Coeff-Com: 0.404D+00 0.530D+00 Coeff: 0.486D-06 0.229D-07-0.247D-06-0.159D-06 0.363D-06-0.333D-05 Coeff: -0.135D-04 0.166D-04 0.319D-04-0.122D-03 0.514D-04-0.499D-04 Coeff: -0.298D-03-0.124D-02-0.138D-01-0.122D-01 0.153D-01 0.787D-01 Coeff: 0.404D+00 0.530D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=7.47D-08 MaxDP=1.63D-06 DE=-8.64D-11 OVMax= 2.11D-06 Cycle 23 Pass 1 IDiag 1: E= -1682.75032863055 Delta-E= -0.000000000040 Rises=F Damp=F DIIS: error= 8.23D-08 at cycle 23 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.75032863055 IErMin=20 ErrMin= 8.23D-08 ErrMax= 8.23D-08 EMaxC= 1.00D-01 BMatC= 3.58D-12 BMatP= 5.39D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.926D-07-0.252D-06-0.122D-07 0.283D-06-0.274D-05-0.164D-05 Coeff-Com: 0.485D-06 0.209D-04 0.608D-07-0.161D-04-0.337D-04-0.581D-04 Coeff-Com: -0.251D-03-0.195D-02-0.219D-02-0.902D-03-0.137D-02 0.140D+00 Coeff-Com: 0.211D+00 0.656D+00 Coeff: 0.926D-07-0.252D-06-0.122D-07 0.283D-06-0.274D-05-0.164D-05 Coeff: 0.485D-06 0.209D-04 0.608D-07-0.161D-04-0.337D-04-0.581D-04 Coeff: -0.251D-03-0.195D-02-0.219D-02-0.902D-03-0.137D-02 0.140D+00 Coeff: 0.211D+00 0.656D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=2.25D-08 MaxDP=5.05D-07 DE=-3.96D-11 OVMax= 1.27D-06 Cycle 24 Pass 1 IDiag 1: E= -1682.75032863056 Delta-E= -0.000000000005 Rises=F Damp=F DIIS: error= 4.99D-08 at cycle 24 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.75032863056 IErMin=20 ErrMin= 4.99D-08 ErrMax= 4.99D-08 EMaxC= 1.00D-01 BMatC= 8.77D-13 BMatP= 3.58D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.135D-06 0.837D-08 0.124D-06-0.126D-05 0.175D-06-0.146D-05 Coeff-Com: 0.915D-05 0.143D-04-0.110D-04-0.260D-04-0.257D-04-0.327D-04 Coeff-Com: 0.306D-03 0.165D-03-0.227D-02-0.547D-02 0.364D-01 0.582D-01 Coeff-Com: 0.363D+00 0.550D+00 Coeff: -0.135D-06 0.837D-08 0.124D-06-0.126D-05 0.175D-06-0.146D-05 Coeff: 0.915D-05 0.143D-04-0.110D-04-0.260D-04-0.257D-04-0.327D-04 Coeff: 0.306D-03 0.165D-03-0.227D-02-0.547D-02 0.364D-01 0.582D-01 Coeff: 0.363D+00 0.550D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=8.73D-09 MaxDP=1.91D-07 DE=-4.55D-12 OVMax= 5.50D-07 SCF Done: E(RB+HF-LYP) = -1682.75032863 A.U. after 24 cycles Convg = 0.8731D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132176755330D+03 PE=-8.339100925192D+03 EE= 3.409759953571D+03 Leave Link 502 at Fri Apr 11 14:22:55 2008, MaxMem= 1258291200 cpu: 204.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27113 -10.35234 -4.34296 -4.30027 -4.30003 Alpha occ. eigenvalues -- -4.29996 -4.28383 -4.28375 -4.28373 -4.27250 Alpha occ. eigenvalues -- -2.85373 -2.84687 -2.84686 -2.80873 -2.80816 Alpha occ. eigenvalues -- -2.80812 -2.80717 -2.80698 -2.80694 -2.80662 Alpha occ. eigenvalues -- -2.80630 -2.80624 -2.79302 -2.79293 -2.79290 Alpha occ. eigenvalues -- -2.79024 -2.79018 -2.79016 -2.79013 -2.79009 Alpha occ. eigenvalues -- -2.79008 -2.78188 -2.77851 -2.77850 -1.18805 Alpha occ. eigenvalues -- -0.58678 -0.48336 -0.48335 -0.47414 -0.35861 Alpha occ. eigenvalues -- -0.33654 -0.33638 -0.32444 -0.32440 -0.32434 Alpha occ. eigenvalues -- -0.32136 -0.30931 -0.30755 -0.30752 -0.29898 Alpha occ. eigenvalues -- -0.29896 -0.29359 -0.29066 -0.28589 -0.28585 Alpha occ. eigenvalues -- -0.28483 -0.28480 -0.27430 -0.27425 -0.26745 Alpha occ. eigenvalues -- -0.26524 -0.26522 -0.26392 -0.26257 -0.26250 Alpha occ. eigenvalues -- -0.26127 -0.25855 -0.25852 -0.25776 -0.25770 Alpha occ. eigenvalues -- -0.25688 -0.25263 -0.25261 -0.25257 -0.24845 Alpha occ. eigenvalues -- -0.24843 -0.24811 -0.24647 -0.24332 -0.24330 Alpha occ. eigenvalues -- -0.20308 -0.20297 -0.18687 Alpha virt. eigenvalues -- -0.08614 -0.08610 -0.07930 -0.07071 -0.07069 Alpha virt. eigenvalues -- -0.04241 -0.03087 -0.03083 -0.00557 -0.00549 Alpha virt. eigenvalues -- -0.00479 0.01920 0.02283 0.02815 0.02821 Alpha virt. eigenvalues -- 0.03040 0.03891 0.04221 0.04223 0.04466 Alpha virt. eigenvalues -- 0.04467 0.04948 0.04953 0.06115 0.06816 Alpha virt. eigenvalues -- 0.07001 0.07011 0.08091 0.08093 0.08225 Alpha virt. eigenvalues -- 0.08551 0.08571 0.08575 0.10498 0.10509 Alpha virt. eigenvalues -- 0.10587 0.10814 0.11874 0.11898 0.15526 Alpha virt. eigenvalues -- 0.15538 0.19956 0.21416 0.22814 0.22851 Alpha virt. eigenvalues -- 0.24398 0.24922 0.24943 0.25849 0.28909 Alpha virt. eigenvalues -- 0.28937 0.30405 0.32175 0.32185 0.34635 Alpha virt. eigenvalues -- 0.39753 0.39839 0.53540 0.64052 0.65949 Alpha virt. eigenvalues -- 0.66001 0.67440 0.67486 0.67907 0.69858 Alpha virt. eigenvalues -- 0.70905 0.70984 0.74974 0.75092 0.79127 Alpha virt. eigenvalues -- 0.79656 0.79673 0.83485 0.86012 0.86030 Alpha virt. eigenvalues -- 0.86443 0.86946 0.87051 0.88293 0.88356 Alpha virt. eigenvalues -- 0.89051 0.93513 0.99768 1.05843 1.05891 Alpha virt. eigenvalues -- 1.06043 1.06052 1.08722 1.17083 1.17866 Alpha virt. eigenvalues -- 1.17956 1.23181 1.23370 1.28193 1.31044 Alpha virt. eigenvalues -- 1.31055 1.31674 1.31704 1.32145 1.33051 Alpha virt. eigenvalues -- 1.33083 1.35495 1.52536 1.64114 1.84269 Alpha virt. eigenvalues -- 1.84280 2.02085 2.30651 2.31141 3.66680 Alpha virt. eigenvalues -- 11.93074 Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.27113 -10.35234 -4.34296 -4.30027 -4.30003 1 1 Cu 1S -0.00005 0.00002 0.00070 0.00621 0.00007 2 2S -0.00007 -0.00006 -0.00054 -0.00072 0.00000 3 3S 0.00037 -0.00328 -0.00290 -0.00532 -0.00039 4 4PX 0.00000 -0.00001 0.00004 0.00008 -0.00005 5 4PY 0.00001 -0.00003 0.00007 0.00003 0.00001 6 4PZ 0.00000 -0.00001 0.00004 0.00010 0.00003 7 5PX -0.00005 0.00020 0.00043 0.00086 -0.00067 8 5PY -0.00008 0.00068 0.00164 -0.00019 0.00018 9 5PZ -0.00005 0.00011 0.00020 0.00114 0.00060 10 6PX 0.00012 0.00068 -0.00019 0.00085 0.00046 11 6PY -0.00034 -0.00004 0.00127 0.00088 -0.00010 12 6PZ 0.00025 0.00096 -0.00056 0.00102 -0.00028 13 7D 0 0.00000 -0.00001 0.00004 -0.00004 -0.00009 14 7D+1 0.00000 -0.00001 -0.00001 -0.00005 0.00003 15 7D-1 0.00001 -0.00002 -0.00001 -0.00003 -0.00002 16 7D+2 0.00000 -0.00002 0.00006 -0.00005 0.00005 17 7D-2 0.00000 -0.00001 -0.00003 -0.00001 0.00001 18 8D 0 0.00000 0.00007 -0.00010 0.00009 0.00028 19 8D+1 0.00000 0.00006 -0.00002 0.00015 -0.00009 20 8D-1 -0.00003 0.00016 -0.00009 0.00011 0.00008 21 8D+2 -0.00001 0.00013 -0.00019 0.00015 -0.00017 22 8D-2 -0.00002 0.00008 0.00000 0.00006 -0.00002 23 2 Cu 1S -0.00006 0.00026 0.00023 0.58638 0.71069 24 2S -0.00010 0.00044 -0.00116 0.00362 0.00698 25 3S -0.00049 0.00303 -0.00376 0.00981 0.01042 26 4PX 0.00000 0.00001 0.00000 0.00194 0.00211 27 4PY 0.00000 -0.00002 0.00008 0.00100 0.00121 28 4PZ 0.00000 0.00002 -0.00008 -0.00103 -0.00113 29 5PX -0.00007 -0.00033 0.00079 -0.00102 -0.00282 30 5PY 0.00014 -0.00097 0.00213 -0.00144 -0.00116 31 5PZ -0.00013 0.00094 -0.00207 0.00118 0.00201 32 6PX -0.00006 -0.00031 0.00085 -0.00123 -0.00214 33 6PY 0.00018 0.00022 -0.00018 -0.00101 -0.00065 34 6PZ -0.00020 -0.00020 0.00022 0.00078 0.00155 35 7D 0 0.00000 0.00000 -0.00001 0.00003 0.00003 36 7D+1 0.00000 0.00000 0.00000 -0.00001 -0.00008 37 7D-1 0.00000 0.00002 -0.00001 0.00010 0.00013 38 7D+2 0.00000 0.00000 0.00001 -0.00005 0.00001 39 7D-2 0.00000 0.00000 -0.00001 0.00003 0.00003 40 8D 0 -0.00001 0.00002 -0.00004 -0.00001 -0.00005 41 8D+1 -0.00001 -0.00004 0.00008 -0.00008 -0.00010 42 8D-1 0.00001 -0.00017 0.00037 -0.00014 -0.00014 43 8D+2 0.00002 -0.00005 0.00009 0.00004 -0.00001 44 8D-2 0.00000 0.00004 -0.00007 0.00007 0.00013 45 3 Cu 1S 0.00000 -0.00010 0.00013 0.00370 0.00028 46 2S 0.00000 -0.00018 0.00027 -0.00126 -0.00010 47 3S -0.00047 -0.00203 0.00292 -0.00690 -0.00057 48 4PX 0.00000 0.00000 0.00000 -0.00006 -0.00004 49 4PY 0.00000 0.00000 -0.00001 0.00010 0.00002 50 4PZ 0.00000 0.00000 0.00001 -0.00011 0.00002 51 5PX -0.00004 -0.00018 0.00021 -0.00064 -0.00083 52 5PY 0.00007 0.00036 -0.00041 0.00110 0.00032 53 5PZ -0.00007 -0.00033 0.00038 -0.00127 0.00054 54 6PX 0.00003 -0.00001 0.00000 -0.00071 0.00046 55 6PY -0.00006 0.00000 -0.00002 0.00152 -0.00003 56 6PZ 0.00004 -0.00003 0.00003 -0.00129 -0.00053 57 7D 0 0.00000 0.00000 0.00000 -0.00002 0.00008 58 7D+1 0.00000 0.00001 -0.00001 -0.00002 -0.00003 59 7D-1 0.00000 -0.00001 0.00003 0.00005 0.00000 60 7D+2 0.00000 -0.00001 0.00001 0.00001 -0.00003 61 7D-2 0.00000 -0.00001 0.00001 0.00003 0.00003 62 8D 0 0.00000 -0.00001 0.00003 0.00005 -0.00021 63 8D+1 0.00000 -0.00005 0.00009 0.00003 0.00008 64 8D-1 0.00000 0.00009 -0.00018 -0.00008 0.00000 65 8D+2 0.00000 0.00004 -0.00007 -0.00001 0.00008 66 8D-2 0.00000 0.00005 -0.00010 -0.00005 -0.00005 67 4 Cu 1S -0.00006 0.00027 0.00023 0.67569 -0.69725 68 2S -0.00010 0.00045 -0.00117 0.00452 -0.00720 69 3S -0.00052 0.00311 -0.00373 0.01111 -0.00999 70 4PX 0.00000 0.00001 -0.00006 -0.00147 0.00135 71 4PY 0.00000 -0.00002 0.00010 0.00180 -0.00176 72 4PZ 0.00000 0.00002 -0.00004 0.00146 -0.00133 73 5PX -0.00007 0.00076 -0.00167 0.00136 -0.00231 74 5PY 0.00015 -0.00119 0.00257 -0.00208 0.00218 75 5PZ -0.00013 0.00018 -0.00032 -0.00055 0.00193 76 6PX -0.00012 -0.00005 -0.00009 0.00108 -0.00177 77 6PY 0.00022 0.00019 -0.00007 -0.00155 0.00146 78 6PZ -0.00018 -0.00044 0.00095 -0.00090 0.00144 79 7D 0 0.00000 0.00001 0.00001 -0.00007 0.00006 80 7D+1 0.00000 0.00000 0.00000 0.00001 0.00005 81 7D-1 0.00000 0.00001 -0.00001 0.00005 -0.00009 82 7D+2 0.00000 0.00001 0.00000 0.00004 -0.00007 83 7D-2 0.00000 0.00002 -0.00001 0.00009 -0.00008 84 8D 0 0.00001 -0.00006 0.00010 -0.00003 0.00007 85 8D+1 -0.00001 0.00002 -0.00003 -0.00005 0.00005 86 8D-1 0.00001 -0.00005 0.00010 0.00004 -0.00007 87 8D+2 0.00000 -0.00007 0.00015 -0.00006 0.00009 88 8D-2 0.00000 -0.00016 0.00034 -0.00018 0.00016 89 5 Cu 1S 0.00035 0.00176 0.99849 -0.00330 -0.00025 90 2S 0.00044 0.00271 0.00309 -0.00239 -0.00018 91 3S 0.00048 0.00470 0.01792 -0.00272 -0.00024 92 4PX 0.00001 0.00003 0.00060 0.00003 -0.00002 93 4PY -0.00002 -0.00005 -0.00120 -0.00007 0.00000 94 4PZ 0.00002 0.00005 0.00113 0.00006 0.00003 95 5PX -0.00007 0.00304 -0.00544 0.00106 -0.00157 96 5PY 0.00016 -0.00611 0.01083 -0.00246 0.00028 97 5PZ -0.00013 0.00563 -0.01016 0.00186 0.00154 98 6PX -0.00060 -0.00075 0.00072 0.00023 -0.00049 99 6PY 0.00124 0.00148 -0.00152 -0.00060 0.00010 100 6PZ -0.00107 -0.00140 0.00119 0.00041 0.00044 101 7D 0 0.00000 0.00000 0.00015 0.00000 0.00000 102 7D+1 0.00001 -0.00001 0.00055 0.00001 0.00000 103 7D-1 -0.00003 0.00002 -0.00110 -0.00002 0.00000 104 7D+2 -0.00001 0.00001 -0.00045 -0.00001 0.00000 105 7D-2 -0.00001 0.00001 -0.00060 -0.00001 -0.00001 106 8D 0 -0.00002 0.00008 -0.00007 -0.00003 -0.00015 107 8D+1 -0.00008 0.00028 -0.00026 -0.00015 0.00005 108 8D-1 0.00016 -0.00055 0.00053 0.00033 0.00012 109 8D+2 0.00007 -0.00022 0.00022 0.00015 0.00002 110 8D-2 0.00009 -0.00030 0.00029 0.00019 -0.00015 111 6 Cu 1S -0.00005 -0.00001 0.00069 0.00501 0.00417 112 2S -0.00006 -0.00010 -0.00053 -0.00056 -0.00057 113 3S 0.00039 -0.00327 -0.00291 -0.00526 -0.00057 114 4PX 0.00000 -0.00001 0.00004 0.00005 0.00006 115 4PY 0.00000 0.00001 -0.00003 -0.00008 -0.00011 116 4PZ -0.00001 0.00003 -0.00007 -0.00002 -0.00005 117 5PX -0.00005 0.00019 0.00037 0.00069 -0.00021 118 5PY 0.00005 -0.00010 -0.00013 -0.00118 -0.00051 119 5PZ 0.00010 -0.00072 -0.00166 -0.00008 0.00053 120 6PX 0.00013 0.00066 -0.00022 0.00075 0.00064 121 6PY -0.00029 -0.00096 0.00068 -0.00083 -0.00032 122 6PZ 0.00034 -0.00001 -0.00128 -0.00070 -0.00084 123 7D 0 0.00000 0.00002 -0.00007 0.00005 0.00002 124 7D+1 0.00000 0.00001 0.00003 0.00001 0.00001 125 7D-1 0.00001 -0.00003 -0.00001 -0.00003 -0.00003 126 7D+2 0.00000 0.00000 0.00000 0.00002 0.00005 127 7D-2 0.00000 0.00001 0.00000 0.00003 0.00001 128 8D 0 0.00001 -0.00014 0.00020 -0.00015 -0.00002 129 8D+1 0.00002 -0.00008 0.00001 -0.00005 -0.00003 130 8D-1 -0.00003 0.00017 -0.00010 0.00012 0.00010 131 8D+2 -0.00001 0.00000 -0.00001 -0.00006 -0.00014 132 8D-2 0.00000 -0.00006 0.00002 -0.00011 -0.00001 133 7 Cu 1S -0.00006 0.00026 0.00022 0.44625 0.12078 134 2S -0.00010 0.00042 -0.00114 0.00221 0.00104 135 3S -0.00047 0.00296 -0.00379 0.00776 0.00185 136 4PX 0.00000 0.00001 -0.00006 -0.00106 -0.00035 137 4PY 0.00000 -0.00002 0.00004 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-0.00028 0.00008 -0.00009 0.00007 -0.00039 65 8D+2 -0.00011 0.00011 0.00003 0.00002 0.00016 66 8D-2 -0.00015 -0.00002 0.00017 0.00006 -0.00028 67 4 Cu 1S -0.00158 -0.00019 -0.00073 0.00241 -0.00017 68 2S -0.00130 -0.00005 -0.00020 0.00352 -0.00029 69 3S -0.01628 -0.00080 -0.00314 -0.02372 0.01405 70 4PX 0.00364 0.00140 0.00204 -0.30367 0.62634 71 4PY -0.00554 -0.00045 -0.00388 0.33107 0.31543 72 4PZ 0.00044 0.00050 0.00128 0.38968 0.03477 73 5PX -0.00321 -0.00168 -0.00014 -0.00972 0.01435 74 5PY 0.00517 -0.00076 0.00138 0.01195 0.00405 75 5PZ -0.00158 -0.00049 -0.00078 0.00856 -0.00184 76 6PX -0.00166 0.00966 -0.00426 0.00190 -0.01446 77 6PY 0.00243 0.00736 0.00052 -0.00193 -0.01342 78 6PZ 0.00074 0.00151 -0.00146 -0.00121 0.00088 79 7D 0 0.00013 0.00004 0.00014 0.00004 0.00018 80 7D+1 -0.00001 0.00003 0.00000 -0.00079 0.00072 81 7D-1 0.00000 -0.00001 -0.00004 0.00093 0.00039 82 7D+2 0.00006 0.00010 0.00003 -0.00010 -0.00097 83 7D-2 0.00014 0.00000 0.00015 -0.00077 0.00044 84 8D 0 -0.00040 -0.00024 -0.00070 -0.00012 0.00002 85 8D+1 0.00007 -0.00028 -0.00014 0.00099 -0.00097 86 8D-1 -0.00004 0.00012 0.00046 -0.00118 -0.00024 87 8D+2 -0.00017 -0.00079 0.00003 0.00002 0.00087 88 8D-2 -0.00038 0.00017 -0.00072 0.00074 -0.00056 89 5 Cu 1S 0.00071 0.00001 0.00001 0.00080 0.00002 90 2S -0.00114 0.00002 0.00002 -0.00026 0.00000 91 3S 0.04496 -0.00083 -0.00081 0.03137 0.00079 92 4PX -0.34234 0.67180 -0.65223 -0.00322 -0.00205 93 4PY 0.68984 0.65044 0.30740 0.00664 -0.00215 94 4PZ -0.63220 0.34595 0.68860 -0.00604 -0.00151 95 5PX -0.01165 0.01885 -0.01810 -0.00655 -0.00413 96 5PY 0.02338 0.01811 0.00847 0.01339 -0.00429 97 5PZ -0.02159 0.00977 0.01922 -0.01219 -0.00305 98 6PX -0.00224 -0.01215 0.01218 -0.00048 0.00794 99 6PY 0.00439 -0.01210 -0.00594 0.00060 0.00927 100 6PZ -0.00431 -0.00614 -0.01256 -0.00112 0.00550 101 7D 0 -0.00017 0.00018 0.00026 0.00002 -0.00001 102 7D+1 -0.00056 0.00035 -0.00004 0.00006 0.00004 103 7D-1 0.00112 0.00014 -0.00019 -0.00013 0.00002 104 7D+2 0.00045 0.00021 0.00005 -0.00005 -0.00005 105 7D-2 0.00060 -0.00006 0.00033 -0.00007 0.00003 106 8D 0 0.00016 0.00030 0.00059 -0.00006 0.00026 107 8D+1 0.00046 0.00043 -0.00015 -0.00021 -0.00014 108 8D-1 -0.00090 0.00016 -0.00021 0.00048 -0.00013 109 8D+2 -0.00035 0.00054 0.00000 0.00020 0.00070 110 8D-2 -0.00048 -0.00018 0.00046 0.00027 -0.00034 111 6 Cu 1S -0.00141 0.00059 0.00203 0.00113 0.00101 112 2S -0.00130 0.00032 0.00106 0.00146 0.00045 113 3S 0.00022 0.00225 0.00759 0.00068 0.00370 114 4PX -0.00135 0.00142 0.00251 0.00450 0.00090 115 4PY 0.00139 -0.00011 -0.00202 -0.00557 -0.02028 116 4PZ 0.00249 -0.00223 -0.00829 -0.00341 -0.00482 117 5PX -0.00001 -0.00188 0.00112 -0.00135 -0.00078 118 5PY 0.00040 -0.00183 -0.00136 0.00243 0.00026 119 5PZ -0.00161 0.00068 0.00358 -0.00107 -0.00146 120 6PX -0.00024 0.00349 -0.00462 0.00046 -0.00769 121 6PY 0.00045 0.00487 0.00598 0.00043 -0.00510 122 6PZ -0.00015 -0.00114 -0.00712 -0.00295 0.00345 123 7D 0 -0.00010 0.00011 0.00027 -0.00002 -0.00010 124 7D+1 0.00004 0.00001 -0.00029 -0.00004 -0.00003 125 7D-1 0.00000 0.00012 0.00022 0.00006 0.00015 126 7D+2 0.00001 -0.00001 0.00000 0.00001 -0.00022 127 7D-2 0.00004 -0.00005 -0.00012 0.00000 -0.00006 128 8D 0 0.00073 -0.00061 -0.00129 0.00011 0.00044 129 8D+1 -0.00008 -0.00034 0.00160 0.00005 0.00007 130 8D-1 -0.00026 -0.00089 -0.00114 -0.00021 -0.00077 131 8D+2 -0.00007 0.00023 -0.00006 -0.00018 0.00101 132 8D-2 -0.00010 0.00025 0.00070 -0.00035 0.00013 133 7 Cu 1S -0.00154 0.00076 0.00021 0.00247 0.00070 134 2S -0.00130 0.00025 0.00007 0.00341 0.00116 135 3S -0.01601 0.00373 0.00107 -0.01902 -0.03973 136 4PX 0.00361 -0.00218 -0.00141 -0.28285 -0.11255 137 4PY -0.00070 0.00147 0.00053 -0.34482 -0.22039 138 4PZ 0.00521 -0.00382 -0.00045 -0.31821 -0.26706 139 5PX -0.00326 0.00035 0.00175 -0.00886 -0.00809 140 5PY 0.00184 -0.00088 -0.00054 -0.00679 -0.01071 141 5PZ -0.00502 0.00154 -0.00075 -0.01082 -0.01181 142 6PX -0.00176 0.00404 -0.00951 0.00184 -0.00518 143 6PY -0.00072 -0.00142 0.00147 0.00084 0.01064 144 6PZ -0.00213 0.00054 0.00777 0.00267 -0.00546 145 7D 0 -0.00010 0.00009 0.00011 0.00011 0.00018 146 7D+1 -0.00013 0.00015 0.00001 0.00076 0.00049 147 7D-1 0.00001 0.00003 0.00000 0.00085 0.00062 148 7D+2 -0.00008 0.00011 -0.00001 -0.00001 -0.00014 149 7D-2 0.00002 -0.00001 0.00003 0.00072 0.00041 150 8D 0 0.00028 -0.00032 -0.00082 -0.00005 0.00003 151 8D+1 0.00033 -0.00070 0.00013 -0.00075 -0.00095 152 8D-1 -0.00008 -0.00041 -0.00006 -0.00116 -0.00111 153 8D+2 0.00024 -0.00065 0.00018 0.00002 0.00061 154 8D-2 -0.00011 -0.00011 -0.00030 -0.00094 -0.00097 155 8 Cu 1S -0.00144 0.00149 -0.00147 0.00117 0.00166 156 2S -0.00132 0.00078 -0.00074 0.00149 0.00072 157 3S 0.00011 0.00572 -0.00554 0.00100 0.00613 158 4PX 0.00316 -0.00651 0.00657 -0.00615 -0.01525 159 4PY 0.00062 0.00052 0.00027 -0.00414 -0.02460 160 4PZ -0.00066 0.00047 0.00038 0.00444 0.01025 161 5PX -0.00144 0.00199 -0.00193 -0.00007 -0.00176 162 5PY 0.00067 -0.00281 0.00030 0.00228 0.00091 163 5PZ -0.00067 0.00012 -0.00274 -0.00205 -0.00161 164 6PX 0.00009 -0.00268 0.00294 -0.00256 0.00728 165 6PY 0.00035 0.00775 -0.00235 0.00102 -0.00725 166 6PZ -0.00024 -0.00182 0.00772 -0.00051 -0.00361 167 7D 0 0.00006 -0.00014 0.00019 -0.00001 -0.00012 168 7D+1 -0.00001 -0.00002 0.00013 -0.00005 -0.00014 169 7D-1 0.00004 -0.00002 0.00002 0.00003 -0.00011 170 7D+2 -0.00010 0.00030 -0.00027 0.00002 -0.00009 171 7D-2 0.00002 0.00011 -0.00001 0.00005 0.00031 172 8D 0 -0.00030 0.00074 -0.00093 -0.00004 0.00058 173 8D+1 0.00032 -0.00005 -0.00096 0.00009 0.00057 174 8D-1 -0.00026 0.00015 -0.00012 -0.00045 0.00031 175 8D+2 0.00048 -0.00152 0.00140 0.00001 0.00044 176 8D-2 -0.00039 -0.00089 -0.00006 -0.00008 -0.00144 177 9 C 1S 0.00160 -0.00001 -0.00001 -0.00004 0.00000 178 2S -0.00270 -0.00001 -0.00001 -0.00074 -0.00001 179 3S 0.00972 0.00001 0.00003 0.00613 0.00010 180 4PX 0.00252 0.00070 -0.00069 0.00001 -0.00009 181 4PY -0.00504 0.00072 0.00034 -0.00002 -0.00011 182 4PZ 0.00467 0.00034 0.00070 0.00002 -0.00006 183 5PX 0.00192 -0.00376 0.00359 -0.00190 0.00108 184 5PY -0.00385 -0.00365 -0.00169 0.00368 0.00138 185 5PZ 0.00356 -0.00193 -0.00379 -0.00353 0.00071 186 10 O 1S 0.00007 0.00000 0.00000 -0.00002 0.00000 187 2S 0.00140 0.00000 0.00000 -0.00033 -0.00001 188 3S -0.00916 0.00002 0.00001 0.00144 0.00005 189 4PX 0.00041 -0.00025 0.00024 -0.00005 0.00006 190 4PY -0.00082 -0.00024 -0.00011 0.00009 0.00008 191 4PZ 0.00075 -0.00013 -0.00025 -0.00010 0.00004 192 5PX 0.00035 0.00127 -0.00122 0.00029 -0.00040 193 5PY -0.00074 0.00124 0.00058 -0.00053 -0.00048 194 5PZ 0.00061 0.00064 0.00127 0.00056 -0.00028 16 17 18 19 20 O O O O O EIGENVALUES -- -2.80812 -2.80717 -2.80698 -2.80694 -2.80662 1 1 Cu 1S 0.00035 0.00003 0.00007 0.00044 -0.00134 2 2S 0.00014 0.00003 0.00018 0.00117 -0.00036 3 3S 0.00142 0.00027 0.00195 0.01208 0.00052 4 4PX -0.00630 -0.01578 0.00757 -0.00429 -0.01786 5 4PY 0.00265 0.00292 -0.00101 0.00251 -0.00800 6 4PZ 0.01250 0.01181 -0.00662 -0.00443 -0.02181 7 5PX -0.00071 0.00103 -0.00351 -0.00175 -0.00092 8 5PY 0.00061 -0.00017 0.00033 -0.00131 0.00002 9 5PZ 0.00032 -0.00082 0.00185 -0.00319 -0.00144 10 6PX -0.00789 -0.00440 0.00232 -0.00228 0.00107 11 6PY -0.00048 0.00070 0.00033 0.00469 -0.00103 12 6PZ 0.00551 0.00308 -0.00258 -0.00366 0.00271 13 7D 0 0.00022 0.00036 -0.00016 -0.00007 -0.00014 14 7D+1 -0.00002 -0.00013 0.00004 -0.00013 -0.00029 15 7D-1 0.00009 0.00012 -0.00003 -0.00007 -0.00010 16 7D+2 -0.00009 -0.00024 0.00007 -0.00009 -0.00011 17 7D-2 -0.00001 -0.00005 -0.00002 -0.00004 -0.00007 18 8D 0 -0.00105 -0.00204 0.00095 0.00034 0.00088 19 8D+1 0.00013 0.00073 -0.00024 0.00088 0.00152 20 8D-1 -0.00047 -0.00064 0.00011 0.00063 0.00014 21 8D+2 0.00046 0.00134 -0.00038 0.00048 0.00064 22 8D-2 0.00008 0.00026 0.00032 0.00037 0.00007 23 2 Cu 1S -0.00045 -0.00020 0.00179 -0.00154 0.00005 24 2S -0.00095 0.00025 -0.00165 0.00134 -0.00065 25 3S 0.03342 -0.00755 0.04802 -0.03988 -0.00035 26 4PX -0.26432 0.05150 -0.38477 0.30572 0.27909 27 4PY -0.43250 -0.36090 -0.17331 0.44473 -0.34675 28 4PZ -0.23031 -0.45536 0.41086 -0.05975 0.36531 29 5PX -0.01296 0.00226 -0.01489 0.01230 0.00593 30 5PY -0.01177 -0.00813 -0.00769 0.01507 -0.00703 31 5PZ -0.00129 -0.01170 0.01491 -0.00380 0.00730 32 6PX 0.00519 0.00099 -0.00786 0.00604 -0.00263 33 6PY 0.00273 0.01470 -0.00108 -0.00698 0.00298 34 6PZ 0.01546 0.01494 -0.00510 -0.00459 -0.00221 35 7D 0 0.00063 0.00025 0.00002 -0.00013 -0.00029 36 7D+1 -0.00015 -0.00049 0.00067 -0.00036 0.00019 37 7D-1 0.00019 -0.00007 0.00051 -0.00045 0.00059 38 7D+2 -0.00016 0.00018 -0.00015 0.00002 0.00056 39 7D-2 -0.00093 -0.00030 -0.00052 0.00063 -0.00021 40 8D 0 -0.00091 0.00074 0.00024 -0.00110 -0.00033 41 8D+1 -0.00001 -0.00074 0.00077 0.00052 0.00053 42 8D-1 -0.00037 0.00006 -0.00043 0.00038 -0.00008 43 8D+2 0.00079 0.00050 -0.00131 0.00058 0.00015 44 8D-2 0.00107 -0.00072 0.00029 0.00097 -0.00026 45 3 Cu 1S -0.00005 0.00001 -0.00009 -0.00022 0.00282 46 2S -0.00004 0.00000 -0.00004 -0.00009 0.00065 47 3S -0.00024 0.00002 -0.00026 -0.00066 0.00594 48 4PX 0.00267 -0.00010 -0.00085 0.00136 -0.01042 49 4PY -0.00105 0.00005 -0.00013 -0.00066 0.01904 50 4PZ -0.00211 -0.00002 0.00150 0.00172 -0.02060 51 5PX -0.00359 0.00032 -0.00096 0.00098 -0.00051 52 5PY 0.00124 0.00000 0.00036 0.00112 0.00157 53 5PZ 0.00310 -0.00017 0.00087 0.00066 -0.00080 54 6PX 0.00671 0.00028 -0.00581 0.00440 0.00237 55 6PY -0.00224 -0.00006 0.00216 0.00537 -0.00584 56 6PZ -0.00598 -0.00017 0.00512 0.00267 0.00373 57 7D 0 0.00006 -0.00001 0.00001 0.00000 0.00013 58 7D+1 -0.00003 0.00000 -0.00001 -0.00003 0.00025 59 7D-1 0.00006 -0.00001 0.00002 0.00002 -0.00049 60 7D+2 -0.00005 0.00001 -0.00001 0.00004 -0.00016 61 7D-2 -0.00007 0.00000 -0.00001 0.00000 -0.00026 62 8D 0 -0.00015 0.00005 -0.00037 -0.00014 -0.00073 63 8D+1 0.00010 -0.00001 0.00017 0.00009 -0.00134 64 8D-1 -0.00056 0.00004 -0.00007 -0.00010 0.00264 65 8D+2 0.00037 -0.00004 0.00011 -0.00048 0.00083 66 8D-2 0.00082 -0.00001 -0.00007 0.00011 0.00141 67 4 Cu 1S 0.00045 0.00017 -0.00222 -0.00089 -0.00008 68 2S 0.00100 -0.00021 0.00196 0.00074 -0.00056 69 3S -0.03865 0.00621 -0.05781 -0.02237 -0.00146 70 4PX 0.07165 0.50917 -0.44233 0.08742 0.17004 71 4PY 0.36054 0.26534 0.47162 0.36637 -0.35543 72 4PZ 0.24469 0.05286 0.22485 0.11468 0.50773 73 5PX -0.00382 0.01306 -0.01666 0.00138 0.00333 74 5PY 0.01334 0.00573 0.01828 0.01247 -0.00723 75 5PZ 0.01140 0.00079 0.00922 0.00469 0.01088 76 6PX -0.00998 -0.01691 0.00011 -0.00744 -0.00126 77 6PY 0.00260 -0.01171 0.00028 -0.00466 0.00395 78 6PZ -0.01014 -0.00345 0.01030 0.00243 -0.00603 79 7D 0 0.00013 0.00013 -0.00042 -0.00014 0.00067 80 7D+1 -0.00020 0.00034 -0.00039 -0.00003 -0.00029 81 7D-1 0.00074 0.00021 0.00047 0.00027 0.00029 82 7D+2 -0.00050 -0.00043 -0.00024 -0.00027 0.00030 83 7D-2 -0.00034 0.00022 -0.00091 -0.00032 0.00055 84 8D 0 -0.00064 0.00012 0.00086 0.00054 0.00057 85 8D+1 0.00065 0.00051 -0.00113 0.00026 0.00004 86 8D-1 -0.00110 0.00046 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0.00028 111 6 Cu 1S -0.00046 0.00075 -0.00003 -0.00032 -0.00062 112 2S -0.00088 0.00131 -0.00003 -0.00068 -0.00101 113 3S -0.01094 0.00885 0.00672 0.00189 -0.00774 114 4PX 0.02061 -0.03067 0.16907 0.14302 -0.32102 115 4PY 0.05704 0.05130 -0.14029 -0.42654 -0.13958 116 4PZ -0.05686 -0.10368 0.38163 0.75315 -0.16159 117 5PX 0.00186 -0.00072 0.00304 0.00282 -0.00442 118 5PY 0.00073 0.00343 -0.00273 -0.00778 -0.00403 119 5PZ -0.00526 0.00005 0.01087 0.01537 -0.00436 120 6PX -0.00189 0.00019 -0.00617 0.00074 0.00448 121 6PY -0.00528 -0.00022 0.00119 0.00423 0.00305 122 6PZ 0.00128 0.00539 -0.00634 -0.00276 -0.00438 123 7D 0 0.00021 0.00022 -0.00093 -0.00165 0.00036 124 7D+1 -0.00014 -0.00010 0.00031 0.00089 0.00023 125 7D-1 0.00001 0.00010 -0.00052 -0.00081 0.00051 126 7D+2 0.00014 0.00008 -0.00001 -0.00056 -0.00066 127 7D-2 0.00005 0.00012 -0.00050 -0.00087 0.00035 128 8D 0 -0.00048 0.00018 0.00023 -0.00066 0.00013 129 8D+1 0.00023 -0.00002 0.00004 0.00006 -0.00003 130 8D-1 0.00009 0.00012 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0.00006 0.00052 94 4PZ -0.00106 0.00019 0.00010 0.00000 -0.00046 95 5PX -0.00155 0.00183 -0.00012 0.00040 0.01226 96 5PY -0.00162 -0.00360 0.00026 0.00023 -0.02463 97 5PZ -0.00051 0.00341 0.00034 -0.00001 0.02268 98 6PX -0.00435 -0.00021 -0.00248 0.00770 0.00887 99 6PY -0.00310 0.00048 0.00495 0.00398 -0.01814 100 6PZ -0.00273 -0.00037 0.00654 0.00011 0.01634 101 7D 0 0.00002 0.00001 0.00005 0.00000 -0.00011 102 7D+1 -0.00002 0.00003 0.00001 0.00004 -0.00029 103 7D-1 0.00000 -0.00006 -0.00001 0.00002 0.00057 104 7D+2 0.00007 -0.00002 0.00002 0.00003 0.00021 105 7D-2 -0.00002 -0.00003 0.00003 -0.00003 0.00030 106 8D 0 -0.00008 -0.00005 -0.00027 -0.00002 0.00272 107 8D+1 0.00035 -0.00015 -0.00005 -0.00023 0.00914 108 8D-1 0.00014 0.00029 0.00006 -0.00013 -0.01829 109 8D+2 -0.00050 0.00011 -0.00011 -0.00017 -0.00737 110 8D-2 0.00021 0.00016 -0.00018 0.00015 -0.00987 111 6 Cu 1S -0.00021 -0.00095 -0.00066 0.00012 0.00208 112 2S -0.00035 -0.00147 -0.00109 0.00020 0.00249 113 3S -0.00340 -0.00552 -0.00817 0.00151 0.00909 114 4PX 0.74137 0.00091 0.00020 -0.00054 -0.00007 115 4PY 0.55005 -0.00129 -0.00061 -0.00022 0.00000 116 4PZ 0.05041 -0.00026 0.00045 -0.00017 0.00040 117 5PX 0.01670 0.00092 0.00190 0.00133 -0.00171 118 5PY 0.01126 -0.00160 -0.00217 0.00152 0.00205 119 5PZ 0.00053 0.00086 -0.00004 0.00030 0.00210 120 6PX -0.00306 0.00210 0.00138 -0.00713 -0.00132 121 6PY -0.00246 -0.00333 -0.00575 -0.00354 0.00180 122 6PZ -0.00197 0.00063 0.00366 -0.00185 0.00101 123 7D 0 -0.00015 -0.00002 -0.00002 0.00001 0.00003 124 7D+1 -0.00102 0.00001 0.00001 0.00001 0.00011 125 7D-1 -0.00088 -0.00002 0.00000 0.00000 -0.00018 126 7D+2 0.00200 -0.00003 0.00000 0.00006 -0.00003 127 7D-2 -0.00051 -0.00006 -0.00003 -0.00002 0.00002 128 8D 0 0.00008 0.00017 0.00017 -0.00004 -0.00007 129 8D+1 0.00015 -0.00007 -0.00003 -0.00005 -0.00101 130 8D-1 -0.00001 0.00012 0.00000 0.00004 0.00153 131 8D+2 0.00034 0.00016 -0.00001 -0.00040 0.00019 132 8D-2 -0.00014 0.00033 0.00018 0.00014 -0.00025 133 7 Cu 1S 0.00003 0.00078 -0.00003 -0.00003 0.00130 134 2S -0.00143 -0.00060 -0.00088 -0.00104 0.00104 135 3S 0.02761 0.02422 0.01711 0.02002 0.01667 136 4PX 0.01305 0.00034 0.00018 -0.00222 0.00016 137 4PY -0.01439 0.02126 0.00812 0.00992 0.00014 138 4PZ 0.00327 -0.00474 -0.00433 -0.00332 0.00019 139 5PX 0.00065 0.00071 0.00197 -0.00012 0.00366 140 5PY -0.00030 0.00338 -0.00028 0.00009 -0.00493 141 5PZ 0.00232 0.00016 0.00022 0.00201 0.00640 142 6PX 0.01095 0.00041 0.00686 0.00061 0.00230 143 6PY -0.00454 0.00651 0.00843 0.01119 -0.00033 144 6PZ 0.01005 -0.00101 -0.00042 0.00485 0.00319 145 7D 0 -0.00009 -0.00018 -0.00014 -0.00014 0.00010 146 7D+1 -0.00007 0.00003 0.00001 0.00000 0.00015 147 7D-1 -0.00001 -0.00013 -0.00009 -0.00009 0.00004 148 7D+2 0.00022 -0.00035 -0.00023 -0.00029 0.00009 149 7D-2 -0.00020 0.00004 0.00004 0.00003 0.00001 150 8D 0 0.00051 0.00103 0.00092 0.00088 -0.00039 151 8D+1 0.00032 -0.00016 -0.00006 0.00005 -0.00051 152 8D-1 0.00005 0.00074 0.00022 0.00043 -0.00031 153 8D+2 -0.00164 0.00203 0.00144 0.00170 -0.00045 154 8D-2 0.00108 -0.00021 -0.00016 -0.00047 -0.00012 155 8 Cu 1S -0.00060 -0.00095 0.00023 -0.00063 0.00215 156 2S -0.00099 -0.00147 0.00037 -0.00104 0.00257 157 3S -0.00765 -0.00555 0.00277 -0.00779 0.00914 158 4PX -0.07201 -0.00079 -0.00009 0.00021 0.00041 159 4PY 0.30721 -0.00099 -0.00021 -0.00065 -0.00008 160 4PZ 0.18510 0.00097 -0.00059 0.00034 0.00007 161 5PX -0.00333 0.00016 0.00042 -0.00103 0.00298 162 5PY 0.00626 -0.00148 0.00195 -0.00134 0.00113 163 5PZ 0.00600 0.00140 0.00075 0.00225 -0.00108 164 6PX -0.00464 -0.00079 -0.00072 0.00161 0.00160 165 6PY 0.00180 -0.00281 -0.00374 -0.00650 0.00127 166 6PZ -0.00072 0.00272 -0.00710 0.00234 -0.00119 167 7D 0 0.00036 0.00001 0.00005 0.00003 0.00004 168 7D+1 -0.00052 -0.00001 0.00000 -0.00001 0.00012 169 7D-1 0.00015 -0.00006 0.00000 -0.00002 -0.00007 170 7D+2 0.00050 -0.00002 0.00003 -0.00001 -0.00009 171 7D-2 -0.00057 0.00001 -0.00001 0.00001 -0.00012 172 8D 0 -0.00003 -0.00008 -0.00032 -0.00018 -0.00046 173 8D+1 0.00017 0.00008 0.00005 0.00012 -0.00097 174 8D-1 0.00001 0.00037 -0.00003 0.00013 0.00048 175 8D+2 0.00005 0.00016 -0.00023 0.00004 0.00092 176 8D-2 -0.00005 -0.00008 0.00012 -0.00007 0.00102 177 9 C 1S 0.00001 0.00001 0.00000 0.00000 -0.11684 178 2S 0.00004 0.00028 0.00000 0.00000 0.24274 179 3S -0.00061 -0.00139 0.00001 0.00001 0.05442 180 4PX 0.00012 -0.00008 -0.00002 0.00008 0.08521 181 4PY 0.00006 0.00017 0.00005 0.00004 -0.17197 182 4PZ 0.00010 -0.00016 0.00007 0.00000 0.15679 183 5PX -0.00028 0.00062 0.00012 -0.00039 -0.01625 184 5PY -0.00004 -0.00125 -0.00025 -0.00020 0.03284 185 5PZ -0.00040 0.00115 -0.00032 -0.00001 -0.02989 186 10 O 1S 0.00000 0.00001 0.00000 0.00000 -0.21140 187 2S -0.00004 0.00018 0.00000 0.00000 0.46567 188 3S 0.00025 -0.00067 -0.00001 0.00000 0.30999 189 4PX -0.00007 0.00001 0.00000 -0.00001 -0.07919 190 4PY -0.00007 -0.00001 0.00000 0.00000 0.15983 191 4PZ -0.00005 0.00001 0.00000 0.00000 -0.14572 192 5PX 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-0.00604 0.01724 17 7D-2 0.00102 -0.00045 -0.00170 0.00574 0.04705 18 8D 0 -0.00014 -0.00042 -0.00081 -0.00048 0.00862 19 8D+1 0.00058 -0.00018 -0.00002 0.00204 0.02542 20 8D-1 0.00059 -0.00096 -0.00090 0.00113 0.01985 21 8D+2 -0.00037 -0.00118 -0.00141 -0.00160 0.00548 22 8D-2 0.00065 -0.00001 -0.00042 0.00170 0.01603 23 2 Cu 1S 0.00114 0.00006 -0.00004 -0.00203 -0.01334 24 2S 0.00472 -0.00033 -0.00094 0.02607 0.24483 25 3S -0.01341 0.00835 -0.02465 0.06787 -0.06272 26 4PX 0.00052 -0.00001 -0.00023 0.00413 0.03691 27 4PY 0.00084 0.00000 -0.00023 0.00506 0.02008 28 4PZ -0.00083 0.00008 0.00027 -0.00500 -0.02025 29 5PX -0.00250 -0.00071 0.00255 -0.00835 -0.05391 30 5PY -0.00195 -0.00106 0.00260 -0.01691 -0.02030 31 5PZ 0.00219 0.00034 -0.00270 0.01620 0.02091 32 6PX -0.00059 0.00684 -0.01941 -0.00141 0.04556 33 6PY 0.00572 -0.01929 0.02283 -0.01051 0.03339 34 6PZ -0.00700 -0.00002 -0.02931 0.00993 -0.03337 35 7D 0 0.00046 -0.00052 -0.00067 0.00163 -0.03405 36 7D+1 -0.00127 0.00040 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3S -0.01274 0.01566 0.01933 0.06721 -0.06280 136 4PX -0.00075 -0.00007 -0.00009 -0.00484 -0.02644 137 4PY -0.00001 -0.00002 -0.00005 -0.00095 -0.02219 138 4PZ -0.00104 -0.00001 -0.00018 -0.00651 -0.03128 139 5PX 0.00236 0.00189 0.00177 0.01422 0.03229 140 5PY 0.00135 0.00044 0.00072 -0.00188 0.03713 141 5PZ 0.00308 0.00173 0.00284 0.02011 0.03584 142 6PX -0.00361 0.01612 0.00190 0.00755 -0.03844 143 6PY 0.00344 -0.02313 -0.02477 -0.00421 -0.02262 144 6PZ -0.00674 0.01019 0.02456 0.01131 -0.04776 145 7D 0 0.00158 -0.00019 0.00107 0.00882 0.01555 146 7D+1 0.00260 0.00056 0.00052 0.01531 0.07869 147 7D-1 -0.00025 -0.00039 -0.00006 0.00157 0.08188 148 7D+2 0.00088 0.00069 0.00015 0.00546 0.00697 149 7D-2 -0.00017 -0.00012 -0.00032 0.00117 0.06856 150 8D 0 -0.00008 -0.00031 0.00066 0.00285 0.00523 151 8D+1 0.00054 0.00042 0.00019 0.00488 0.02787 152 8D-1 0.00036 -0.00020 -0.00023 0.00126 0.02952 153 8D+2 -0.00037 0.00032 -0.00008 0.00207 0.00219 154 8D-2 0.00047 -0.00031 -0.00004 0.00082 0.02476 155 8 Cu 1S 0.00057 0.00005 0.00000 -0.00153 -0.00970 156 2S 0.00632 0.00094 -0.00403 0.02060 0.11680 157 3S 0.06698 -0.00326 0.00802 0.00029 0.06203 158 4PX -0.00184 -0.00013 0.00079 -0.00609 -0.01996 159 4PY 0.00013 0.00011 -0.00075 -0.00033 -0.01270 160 4PZ -0.00007 -0.00041 0.00058 0.00046 0.01269 161 5PX 0.01668 0.00123 -0.00373 0.00854 0.02101 162 5PY 0.00246 0.00102 0.00000 -0.00611 0.01306 163 5PZ -0.00273 0.00062 0.00064 0.00575 -0.01308 164 6PX 0.02291 -0.00138 0.00425 -0.00912 0.01803 165 6PY -0.01083 -0.00113 -0.01684 0.01558 -0.00259 166 6PZ 0.00902 -0.01056 0.01144 -0.01476 0.00156 167 7D 0 -0.00132 0.00083 0.00043 -0.00512 -0.01844 168 7D+1 0.00058 0.00154 -0.00262 -0.00170 -0.06864 169 7D-1 -0.00067 -0.00033 0.00095 -0.00354 -0.03887 170 7D+2 0.00218 0.00022 0.00016 0.00861 0.03241 171 7D-2 -0.00075 -0.00068 0.00317 0.00126 0.06875 172 8D 0 -0.00048 0.00010 0.00058 -0.00145 -0.00641 173 8D+1 -0.00039 0.00069 -0.00135 -0.00074 -0.02305 174 8D-1 -0.00029 -0.00026 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0.18233 0.00398 0.05114 -0.00912 41 42 43 44 45 O O O O O EIGENVALUES -- -0.33654 -0.33638 -0.32444 -0.32440 -0.32434 1 1 Cu 1S 0.00294 0.00054 0.00051 0.00043 0.00221 2 2S -0.09671 -0.01774 0.00990 0.08811 0.04509 3 3S -0.05926 -0.01138 0.03553 0.14417 0.15430 4 4PX -0.01341 -0.00511 -0.00720 0.00688 0.00450 5 4PY -0.01210 -0.00173 0.00368 0.01382 0.00972 6 4PZ -0.01662 -0.00110 0.00581 0.00644 -0.00031 7 5PX 0.03896 -0.00330 0.01054 -0.03079 -0.02276 8 5PY 0.03476 0.00817 -0.01293 -0.02600 -0.04295 9 5PZ 0.04169 0.01502 -0.01414 -0.03683 -0.01319 10 6PX -0.02381 0.00784 -0.03189 -0.01178 0.00480 11 6PY -0.03783 -0.00869 0.00324 -0.00184 -0.01153 12 6PZ -0.01944 -0.01191 0.02289 -0.01506 -0.00713 13 7D 0 -0.02192 0.02752 0.04820 -0.03817 -0.06481 14 7D+1 -0.10553 -0.02949 -0.00546 0.01590 0.02099 15 7D-1 -0.11529 -0.00701 0.08065 0.04618 -0.01335 16 7D+2 0.00196 -0.02236 -0.09049 -0.05880 -0.07279 17 7D-2 -0.09602 -0.02640 -0.07953 0.05523 0.06230 18 8D 0 -0.00927 0.00935 0.01662 -0.01198 -0.02229 19 8D+1 -0.04019 -0.01105 -0.00119 0.00714 0.00812 20 8D-1 -0.04375 -0.00397 0.03003 0.01441 -0.00620 21 8D+2 -0.00126 -0.00771 -0.03262 -0.01993 -0.02568 22 8D-2 -0.03622 -0.00847 -0.03076 0.01793 0.02200 23 2 Cu 1S -0.00018 0.00037 0.00210 -0.00082 -0.00204 24 2S -0.05875 0.06866 0.02962 -0.00832 -0.03155 25 3S -0.14542 0.17756 0.08262 -0.22485 -0.09990 26 4PX -0.00235 0.00327 -0.00212 -0.01919 0.00017 27 4PY 0.00318 0.01806 0.00223 0.00826 -0.00505 28 4PZ 0.01865 0.00069 -0.00582 -0.00686 0.00138 29 5PX 0.04041 -0.04804 0.00168 0.04287 0.00272 30 5PY 0.03492 -0.03513 -0.02499 0.03006 0.02695 31 5PZ -0.02770 0.04104 0.02372 -0.02996 -0.02625 32 6PX 0.03943 -0.04562 0.00142 -0.01672 -0.00287 33 6PY 0.02099 0.04610 -0.00547 0.02098 0.00312 34 6PZ 0.04879 0.01522 -0.00050 -0.01826 -0.00694 35 7D 0 -0.18602 -0.09364 0.07312 0.14173 0.04916 36 7D+1 0.07525 0.04033 0.04229 0.05250 -0.02314 37 7D-1 0.04252 -0.04100 -0.06963 -0.03259 0.05820 38 7D+2 -0.03066 -0.13826 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0.00879 -0.05459 -0.01847 59 7D-1 0.00054 0.00139 0.00764 0.11090 0.00593 60 7D+2 -0.02060 0.00637 0.00475 0.04593 -0.02642 61 7D-2 0.00831 -0.00527 -0.01360 0.05803 0.01628 62 8D 0 -0.00261 -0.00759 -0.01197 -0.00636 -0.00550 63 8D+1 0.00055 0.00277 0.00327 -0.02047 -0.00650 64 8D-1 0.00097 -0.00052 0.00266 0.04155 0.00241 65 8D+2 -0.00718 0.00279 0.00186 0.01721 -0.00971 66 8D-2 0.00325 -0.00022 -0.00471 0.02176 0.00607 67 4 Cu 1S -0.00007 -0.00033 -0.00275 -0.00089 -0.00085 68 2S -0.03137 -0.08655 -0.04137 -0.01019 -0.01359 69 3S -0.07600 -0.21517 -0.11166 -0.23040 -0.05029 70 4PX 0.01891 0.00297 0.00365 0.00123 -0.00189 71 4PY 0.00568 -0.01720 -0.00470 0.00439 -0.00314 72 4PZ 0.00344 0.00079 0.00477 -0.02136 -0.00078 73 5PX -0.01267 -0.05153 -0.02181 -0.03459 -0.00936 74 5PY 0.02679 0.06466 0.03741 0.04524 0.01440 75 5PZ 0.01242 0.03144 -0.01788 0.02487 -0.00317 76 6PX 0.04969 -0.02249 -0.00054 -0.00770 -0.00500 77 6PY 0.03062 -0.02248 0.00541 0.01925 0.00064 78 6PZ 0.03125 0.05887 -0.00433 -0.02459 -0.00389 79 7D 0 0.03711 0.07897 -0.01245 -0.19771 -0.00718 80 7D+1 -0.01124 -0.04127 -0.06440 0.16788 0.03799 81 7D-1 0.05766 0.01932 0.09287 -0.15918 0.03182 82 7D+2 -0.21562 0.10764 0.01433 -0.02884 0.07293 83 7D-2 0.10413 0.01248 0.05240 0.03488 -0.01957 84 8D 0 0.01258 0.02694 -0.00502 -0.06481 -0.00252 85 8D+1 -0.00336 -0.01213 -0.02282 0.05740 0.01270 86 8D-1 0.01873 0.00439 0.03342 -0.05477 0.01115 87 8D+2 -0.07345 0.03714 0.00503 -0.00863 0.02577 88 8D-2 0.03631 0.00638 0.01803 0.01514 -0.00667 89 5 Cu 1S 0.00003 0.00001 -0.00002 -0.00382 -0.00028 90 2S -0.00089 -0.00059 0.00048 0.18604 0.01338 91 3S 0.00045 0.00064 0.00250 0.12851 0.01061 92 4PX 0.01029 -0.01203 0.00132 0.00249 -0.00092 93 4PY 0.01179 0.00475 -0.00073 -0.00460 -0.00153 94 4PZ 0.00632 0.01078 -0.00119 0.00480 -0.00021 95 5PX 0.00784 -0.00802 0.01288 -0.05264 -0.01777 96 5PY 0.00690 0.00241 -0.00484 0.10804 -0.00489 97 5PZ 0.00563 0.00846 -0.01513 -0.10023 -0.01493 98 6PX -0.00090 0.00026 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5PY 0.02102 0.03774 -0.00916 0.03895 -0.01045 119 5PZ 0.01451 0.03484 -0.04198 0.03341 -0.01239 120 6PX -0.00404 0.02400 -0.00755 -0.01296 0.03166 121 6PY -0.01495 -0.01716 -0.00650 0.01349 0.02206 122 6PZ -0.01563 -0.03623 -0.01062 0.00267 0.00294 123 7D 0 -0.00348 0.00286 -0.08837 0.08613 -0.05289 124 7D+1 -0.04293 -0.08844 0.05854 -0.05021 -0.08921 125 7D-1 0.02826 0.11795 0.02329 0.04851 -0.07211 126 7D+2 0.02744 -0.02890 -0.01822 -0.00197 0.08030 127 7D-2 -0.04562 -0.08991 0.02000 -0.01559 -0.01106 128 8D 0 -0.00153 -0.00103 -0.03090 0.02881 -0.01956 129 8D+1 -0.01472 -0.03381 0.02098 -0.01617 -0.03413 130 8D-1 0.01209 0.04474 0.00953 0.01544 -0.02698 131 8D+2 0.00925 -0.01057 -0.00593 -0.00172 0.02816 132 8D-2 -0.01720 -0.03435 0.00761 -0.00723 -0.00326 133 7 Cu 1S 0.00039 0.00013 0.00071 -0.00110 0.00276 134 2S 0.08841 0.01486 0.00935 -0.01290 0.04081 135 3S 0.22715 0.04128 0.02707 -0.23513 0.10008 136 4PX -0.00637 -0.01757 0.00230 0.00153 -0.00347 137 4PY 0.00212 0.00339 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3S 0.03627 -0.04545 0.10705 0.16256 -0.09111 158 4PX -0.01255 0.01519 -0.00683 -0.01771 0.00532 159 4PY -0.00506 0.00955 0.00581 -0.00218 0.00372 160 4PZ 0.00850 -0.00660 0.00409 0.00180 0.00630 161 5PX 0.03550 -0.04241 0.03503 0.04951 -0.03018 162 5PY 0.02395 -0.01501 -0.00804 0.02475 -0.00827 163 5PZ -0.01013 0.02678 -0.01127 -0.02337 -0.01023 164 6PX -0.03129 0.03604 0.00718 0.00996 -0.00579 165 6PY -0.01338 -0.00016 0.01795 0.00989 0.02194 166 6PZ -0.00189 -0.01409 0.02164 -0.01312 0.01926 167 7D 0 -0.01274 0.05622 -0.01680 -0.05796 0.05161 168 7D+1 -0.08352 0.06708 -0.05729 0.00018 -0.09807 169 7D-1 -0.02834 0.03250 -0.01672 -0.00156 0.01645 170 7D+2 0.06845 -0.05989 0.06882 0.09757 -0.04194 171 7D-2 0.05171 -0.09418 -0.09439 0.00654 -0.05302 172 8D 0 -0.00458 0.02040 -0.00669 -0.01923 0.01717 173 8D+1 -0.03099 0.02725 -0.02153 0.00031 -0.03639 174 8D-1 -0.01065 0.01217 -0.00670 -0.00298 0.00650 175 8D+2 0.02497 -0.02172 0.02334 0.03228 -0.01525 176 8D-2 0.02158 -0.03543 -0.03493 0.00234 -0.01995 177 9 C 1S -0.00027 -0.00029 0.00005 -0.00967 -0.00066 178 2S 0.00073 0.00073 -0.00019 0.00891 0.00052 179 3S 0.00029 0.00068 0.00028 0.11961 0.00866 180 4PX 0.01949 -0.02274 -0.00915 -0.01107 0.00822 181 4PY 0.02202 0.00888 0.00416 0.02062 0.01025 182 4PZ 0.01204 0.02048 0.00986 -0.01995 0.00351 183 5PX 0.01838 -0.02094 -0.01075 -0.01196 0.00946 184 5PY 0.02007 0.00781 0.00524 0.02187 0.01213 185 5PZ 0.01166 0.01954 0.01080 -0.02112 0.00384 186 10 O 1S 0.00002 0.00003 -0.00001 0.00235 0.00016 187 2S -0.00011 -0.00012 0.00003 -0.00639 -0.00044 188 3S 0.00025 0.00016 0.00011 -0.01368 -0.00085 189 4PX -0.05801 0.06556 0.02352 0.01333 -0.02180 190 4PY -0.06289 -0.02420 -0.01087 -0.02220 -0.02391 191 4PZ -0.03687 -0.06143 -0.02504 0.02369 -0.01071 192 5PX -0.03499 0.03946 0.01359 0.00809 -0.01262 193 5PY -0.03778 -0.01449 -0.00631 -0.01364 -0.01395 194 5PZ -0.02231 -0.03713 -0.01441 0.01429 -0.00616 46 47 48 49 50 O O O O O EIGENVALUES -- -0.32136 -0.30931 -0.30755 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3S 0.06469 -0.00721 0.00019 -0.05750 0.09823 4 4PX -0.00296 -0.00127 -0.00643 0.00062 0.00809 5 4PY 0.00103 0.00004 0.00115 -0.00165 0.00131 6 4PZ 0.00693 -0.00170 0.00464 -0.00729 0.00594 7 5PX 0.00322 0.00350 0.01075 0.01349 -0.02223 8 5PY -0.00865 -0.00401 -0.00194 0.00392 -0.00696 9 5PZ -0.02349 0.00588 -0.00780 0.01704 -0.02979 10 6PX -0.00015 0.00621 -0.01031 -0.01706 -0.00489 11 6PY 0.01699 -0.00580 0.00185 0.01860 -0.02502 12 6PZ -0.00862 0.01033 0.00734 0.00370 0.01780 13 7D 0 0.19471 -0.02220 0.24739 -0.27164 -0.07972 14 7D+1 -0.01780 0.03778 -0.08888 0.08676 0.06072 15 7D-1 0.06830 -0.10090 0.07738 -0.02066 -0.05170 16 7D+2 0.00354 -0.09731 -0.16321 0.09186 0.16183 17 7D-2 -0.00999 -0.03593 -0.03096 0.01117 -0.06047 18 8D 0 0.06593 -0.00702 0.08314 -0.09059 -0.02609 19 8D+1 -0.00618 0.01333 -0.02974 0.02878 0.02046 20 8D-1 0.02437 -0.03502 0.02674 -0.00582 -0.01809 21 8D+2 0.00102 -0.03276 -0.05521 0.03029 0.05387 22 8D-2 -0.00226 -0.01281 -0.01139 0.00372 -0.02126 23 2 Cu 1S 0.00136 0.00166 -0.00002 -0.00020 0.00002 24 2S 0.02102 -0.02954 -0.00028 -0.05828 -0.00008 25 3S 0.04040 0.15159 -0.00143 0.00250 0.00106 26 4PX 0.00157 -0.00194 -0.00025 0.00544 -0.00005 27 4PY -0.00372 0.00163 -0.00750 -0.00682 -0.00409 28 4PZ -0.00215 -0.00154 -0.00781 0.00651 -0.00417 29 5PX -0.00827 -0.02372 0.00116 -0.01400 -0.00073 30 5PY -0.00726 -0.00471 0.02886 0.01935 -0.00893 31 5PZ -0.00572 0.00557 0.02997 -0.01820 -0.00954 32 6PX -0.00644 -0.02841 -0.00100 0.04362 0.00091 33 6PY -0.05667 0.01456 -0.02844 -0.04288 0.01395 34 6PZ -0.06613 -0.01405 -0.03017 0.03980 0.01560 35 7D 0 0.32690 -0.04313 0.28837 -0.20207 -0.00139 36 7D+1 0.22664 -0.23355 0.12432 -0.15515 0.19328 37 7D-1 -0.02684 0.20049 -0.01681 -0.25246 -0.00808 38 7D+2 0.22362 0.10718 0.17194 0.33721 0.01330 39 7D-2 0.06700 0.24402 0.11093 0.13519 0.18360 40 8D 0 0.10935 -0.01365 0.09377 -0.06542 -0.00174 41 8D+1 0.07687 -0.07691 0.04070 -0.04966 0.06257 42 8D-1 -0.00820 0.06458 -0.00547 -0.08143 -0.00257 43 8D+2 0.07466 0.03426 0.05591 0.10919 0.00359 44 8D-2 0.02290 0.08037 0.03634 0.04320 0.05947 45 3 Cu 1S 0.00003 -0.00276 0.00000 -0.00001 0.00001 46 2S 0.00042 -0.11788 0.00028 0.00006 -0.00032 47 3S 0.00156 -0.30542 0.00061 -0.00024 -0.00021 48 4PX -0.00511 0.00560 0.00005 0.00068 -0.00009 49 4PY 0.00617 -0.01112 0.00001 0.00020 -0.00067 50 4PZ 0.00917 0.01068 -0.00008 -0.00015 -0.00061 51 5PX 0.01378 -0.03157 -0.00003 -0.00943 0.00026 52 5PY -0.01673 0.06271 -0.00008 -0.00240 0.00723 53 5PZ -0.02434 -0.05961 0.00022 0.00241 0.00739 54 6PX -0.02617 -0.01152 0.00002 0.02367 -0.00033 55 6PY 0.03160 0.02369 -0.00005 0.00601 -0.01699 56 6PZ 0.04754 -0.02186 0.00005 -0.00618 -0.01799 57 7D 0 -0.16266 -0.00608 0.00149 0.00762 -0.01495 58 7D+1 -0.02061 -0.00987 -0.00038 0.03507 -0.04470 59 7D-1 0.05447 0.01995 -0.00050 0.04256 0.00256 60 7D+2 -0.05238 0.00735 -0.00036 -0.01293 -0.00902 61 7D-2 -0.13287 0.01074 0.00113 -0.03446 -0.04512 62 8D 0 -0.05587 -0.00196 0.00050 0.00305 -0.00453 63 8D+1 -0.00895 -0.00307 -0.00013 0.01197 -0.01574 64 8D-1 0.02016 0.00618 -0.00017 0.01487 0.00085 65 8D+2 -0.01911 0.00226 -0.00012 -0.00516 -0.00280 66 8D-2 -0.04930 0.00335 0.00039 -0.01170 -0.01588 67 4 Cu 1S -0.00294 0.00167 0.00001 0.00010 0.00020 68 2S -0.04514 -0.03040 0.00047 0.02877 0.05094 69 3S -0.08908 0.15130 0.00060 -0.00154 -0.00130 70 4PX -0.00024 -0.00044 0.00888 0.00271 -0.00491 71 4PY 0.00116 0.00135 0.00594 0.00591 0.00395 72 4PZ -0.00428 -0.00260 0.00162 -0.00341 -0.00762 73 5PX -0.00722 0.01060 -0.03414 0.01341 0.00215 74 5PY 0.00591 -0.01095 -0.02295 -0.00282 -0.01954 75 5PZ 0.01565 -0.01914 -0.00624 0.01275 0.01805 76 6PX -0.00082 -0.00139 0.03418 -0.02300 -0.00406 77 6PY -0.00897 0.01015 0.02249 0.00814 0.03785 78 6PZ 0.01357 -0.03405 0.00644 -0.03298 -0.05057 79 7D 0 -0.15493 -0.11840 -0.06600 -0.16172 -0.15491 80 7D+1 -0.03373 -0.18094 -0.23835 -0.04357 0.31369 81 7D-1 0.13496 0.34403 -0.11713 -0.21584 -0.09146 82 7D+2 0.00838 0.07661 -0.21926 0.12965 0.03135 83 7D-2 -0.06591 0.03718 0.13286 0.16235 0.28557 84 8D 0 -0.05184 -0.03980 -0.02154 -0.05247 -0.05058 85 8D+1 -0.01161 -0.05891 -0.07778 -0.01377 0.10107 86 8D-1 0.04522 0.11236 -0.03830 -0.06958 -0.02931 87 8D+2 0.00208 0.02462 -0.07116 0.04297 0.00939 88 8D-2 -0.02383 0.01119 0.04320 0.05178 0.09224 89 5 Cu 1S -0.00001 -0.00216 0.00000 0.00000 -0.00001 90 2S 0.00048 0.02492 -0.00004 0.00004 0.00032 91 3S -0.00011 -0.10936 0.00017 -0.00033 -0.00006 92 4PX -0.00033 -0.00800 0.00006 0.00798 -0.00022 93 4PY 0.00033 0.01612 -0.00005 0.00207 -0.00606 94 4PZ 0.00040 -0.01461 -0.00001 -0.00212 -0.00638 95 5PX 0.00626 0.03813 -0.00027 -0.00015 0.00015 96 5PY -0.00724 -0.07676 0.00016 -0.00020 0.00102 97 5PZ -0.01076 0.07025 0.00000 0.00043 0.00092 98 6PX -0.01478 0.01400 -0.00015 0.04337 -0.00055 99 6PY 0.01712 -0.02710 0.00008 0.01124 -0.03158 100 6PZ 0.02590 0.02652 0.00002 -0.01118 -0.03269 101 7D 0 0.23485 -0.04362 0.00168 -0.01980 0.02722 102 7D+1 -0.10104 -0.13475 -0.00005 -0.06104 0.08534 103 7D-1 0.02391 0.26325 -0.00002 -0.07644 -0.00321 104 7D+2 -0.00238 0.10391 -0.00144 0.03056 0.02033 105 7D-2 -0.06563 0.13831 -0.00014 0.05825 0.08038 106 8D 0 0.07188 -0.01352 0.00053 -0.00506 0.00995 107 8D+1 -0.03037 -0.04172 -0.00002 -0.01899 0.02538 108 8D-1 0.00691 0.08155 -0.00001 -0.02295 -0.00105 109 8D+2 -0.00037 0.03219 -0.00044 0.00765 0.00714 110 8D-2 -0.01896 0.04289 -0.00004 0.01828 0.02385 111 6 Cu 1S -0.00210 -0.00007 0.00002 0.00046 0.00082 112 2S -0.03574 -0.00308 0.00006 -0.04096 -0.07301 113 3S -0.12015 -0.00856 0.00088 -0.05590 -0.09898 114 4PX -0.00384 -0.00114 0.00666 0.00102 -0.00792 115 4PY 0.00621 0.00179 0.00444 0.00712 0.00617 116 4PZ 0.00046 -0.00012 0.00117 0.00189 0.00170 117 5PX 0.01840 0.00359 -0.01141 0.01241 0.02155 118 5PY -0.02568 -0.00624 -0.00736 -0.01691 -0.03021 119 5PZ -0.01272 0.00355 -0.00197 -0.00466 -0.00855 120 6PX 0.00423 0.00633 0.01081 -0.01755 0.00423 121 6PY -0.01484 -0.01119 0.00737 -0.00285 0.01848 122 6PZ 0.03170 0.00528 0.00205 -0.01796 -0.02491 123 7D 0 0.19436 0.08909 -0.02173 0.05306 0.10802 124 7D+1 0.00177 0.03372 -0.04583 -0.02041 -0.04801 125 7D-1 -0.08010 -0.10599 -0.08405 -0.03361 0.05063 126 7D+2 0.02190 -0.03221 0.28658 0.27622 -0.14222 127 7D-2 0.05600 -0.04018 -0.10498 -0.10333 0.07098 128 8D 0 0.06523 0.02965 -0.00763 0.01808 0.03631 129 8D+1 0.00231 0.01201 -0.01641 -0.00675 -0.01708 130 8D-1 -0.02950 -0.03669 -0.02895 -0.01017 0.01776 131 8D+2 0.00692 -0.01131 0.09646 0.09201 -0.04694 132 8D-2 0.01884 -0.01417 -0.03514 -0.03429 0.02392 133 7 Cu 1S 0.00157 0.00166 0.00000 0.00010 -0.00018 134 2S 0.02423 -0.02918 0.00008 0.02984 -0.05178 135 3S 0.04667 0.15195 -0.00022 -0.00068 0.00051 136 4PX 0.00312 -0.00049 -0.00863 0.00254 0.00476 137 4PY -0.00282 0.00262 0.00151 0.00365 -0.00777 138 4PZ -0.00162 -0.00127 0.00621 -0.00587 0.00356 139 5PX 0.01130 0.01150 0.03321 0.01325 -0.00210 140 5PY 0.00660 0.01894 -0.00588 -0.01310 0.01846 141 5PZ -0.00173 0.01158 -0.02389 0.00233 -0.01893 142 6PX 0.06530 -0.00045 -0.03328 -0.02240 0.00295 143 6PY -0.00410 0.03418 0.00587 0.03452 -0.05162 144 6PZ -0.05088 -0.00883 0.02391 -0.00640 0.03561 145 7D 0 0.19579 0.01926 -0.21930 -0.04044 -0.05876 146 7D+1 -0.16303 -0.02135 0.11457 -0.17667 0.30097 147 7D-1 -0.22021 0.32695 0.13399 -0.22021 0.08481 148 7D+2 -0.12560 0.16118 0.04502 0.19416 -0.11582 149 7D-2 0.26132 0.17885 -0.24614 0.02940 0.31395 150 8D 0 0.06487 0.00718 -0.07124 -0.01391 -0.01991 151 8D+1 -0.05549 -0.00599 0.03726 -0.05649 0.09718 152 8D-1 -0.07422 0.10668 0.04380 -0.07097 0.02724 153 8D+2 -0.04144 0.05343 0.01449 0.06347 -0.03753 154 8D-2 0.08794 0.05817 -0.08033 0.00914 0.10119 155 8 Cu 1S 0.00099 -0.00004 -0.00002 -0.00091 0.00001 156 2S 0.01684 -0.00396 -0.00010 0.08333 -0.00005 157 3S 0.05630 -0.00852 -0.00079 0.11393 0.00055 158 4PX -0.00128 0.00077 -0.00015 -0.00607 -0.00009 159 4PY 0.00251 0.00147 -0.00559 -0.00665 -0.00400 160 4PZ 0.00708 -0.00140 -0.00584 0.00658 -0.00418 161 5PX 0.01055 0.00074 0.00015 0.02423 -0.00002 162 5PY -0.00430 -0.00578 0.00939 0.02594 -0.00012 163 5PZ -0.02140 0.00571 0.01000 -0.02552 -0.00035 164 6PX -0.01153 0.00067 -0.00037 0.02398 0.00071 165 6PY 0.00716 -0.01005 -0.00918 -0.01858 0.01429 166 6PZ -0.00984 0.00945 -0.00954 0.01703 0.01496 167 7D 0 0.16083 -0.01456 -0.22555 0.06595 -0.26719 168 7D+1 -0.12425 0.07889 0.13433 -0.02087 0.10087 169 7D-1 -0.00812 -0.09482 0.00734 -0.01727 0.01065 170 7D+2 0.02607 0.01257 -0.12331 -0.11065 -0.14891 171 7D-2 -0.00539 -0.08724 0.13610 0.02705 0.10370 172 8D 0 0.05438 -0.00451 -0.07551 0.02256 -0.08905 173 8D+1 -0.04265 0.02691 0.04603 -0.00637 0.03306 174 8D-1 -0.00220 -0.03303 0.00243 -0.00665 0.00355 175 8D+2 0.00992 0.00343 -0.04121 -0.03798 -0.04968 176 8D-2 -0.00124 -0.02970 0.04659 0.00846 0.03400 177 9 C 1S -0.00009 -0.01943 0.00004 -0.00003 -0.00008 178 2S 0.00014 0.04004 -0.00008 0.00006 0.00014 179 3S 0.00057 0.06905 -0.00016 0.00000 0.00039 180 4PX -0.00560 -0.02014 -0.00007 -0.00933 0.00017 181 4PY 0.00707 0.04057 -0.00007 -0.00229 0.00723 182 4PZ 0.01036 -0.03748 0.00016 0.00244 0.00747 183 5PX -0.00154 -0.00164 -0.00004 -0.00605 0.00004 184 5PY 0.00209 0.00305 -0.00001 -0.00156 0.00451 185 5PZ 0.00307 -0.00332 0.00004 0.00162 0.00461 186 10 O 1S 0.00002 0.00397 -0.00001 0.00001 0.00001 187 2S -0.00003 -0.01201 0.00003 -0.00002 -0.00003 188 3S -0.00013 -0.01392 0.00003 -0.00002 0.00003 189 4PX 0.00922 0.01597 0.00015 0.01679 -0.00037 190 4PY -0.01164 -0.03195 0.00004 0.00414 -0.01274 191 4PZ -0.01747 0.03023 -0.00019 -0.00447 -0.01362 192 5PX 0.00510 0.00475 0.00010 0.00999 -0.00020 193 5PY -0.00647 -0.00936 0.00000 0.00248 -0.00751 194 5PZ -0.00967 0.00926 -0.00009 -0.00269 -0.00808 56 57 58 59 60 O O O O O EIGENVALUES -- -0.28483 -0.28480 -0.27430 -0.27425 -0.26745 1 1 Cu 1S 0.00139 -0.00215 0.00157 0.00005 0.00000 2 2S -0.02875 0.04438 0.00835 0.00014 -0.00005 3 3S 0.00115 -0.00210 0.09859 0.00282 0.00001 4 4PX -0.00361 0.00183 0.00135 0.00083 -0.00302 5 4PY -0.00375 0.00641 -0.00349 -0.00028 0.00053 6 4PZ -0.00045 0.00343 0.00280 -0.00046 0.00217 7 5PX 0.00336 -0.00456 -0.01106 -0.02037 -0.00231 8 5PY 0.00444 -0.00677 -0.02672 0.00270 0.00043 9 5PZ 0.00296 -0.00505 -0.01035 0.01418 0.00162 10 6PX -0.03388 -0.02263 -0.01718 0.02468 -0.01130 11 6PY -0.02207 0.04699 0.01192 -0.00407 0.00201 12 6PZ 0.03195 0.00478 -0.02485 -0.01886 0.00814 13 7D 0 -0.03298 -0.02849 0.08995 0.07422 0.13600 14 7D+1 0.04241 -0.00677 -0.13052 -0.00731 -0.09266 15 7D-1 0.00606 0.13608 -0.04464 0.14543 -0.20343 16 7D+2 -0.03618 0.02738 0.22063 -0.09914 0.03132 17 7D-2 -0.13297 -0.01256 -0.11952 -0.18027 0.31467 18 8D 0 -0.01081 -0.00959 0.02906 0.02384 0.04533 19 8D+1 0.01484 -0.00308 -0.04591 -0.00231 -0.03095 20 8D-1 0.00138 0.04823 -0.01515 0.04765 -0.06823 21 8D+2 -0.01326 0.00996 0.07331 -0.03220 0.01065 22 8D-2 -0.04621 -0.00373 -0.04033 -0.05925 0.10546 23 2 Cu 1S 0.00047 0.00097 -0.00050 0.00080 0.00002 24 2S 0.02679 0.05176 -0.00386 0.00652 0.00012 25 3S 0.03120 0.06355 -0.04422 0.07245 0.00064 26 4PX 0.00258 0.00480 -0.00156 0.00225 -0.00031 27 4PY 0.00316 -0.00064 -0.00514 -0.00287 -0.00889 28 4PZ 0.00247 -0.00227 -0.00503 -0.00354 -0.00930 29 5PX -0.01531 -0.03125 0.01484 -0.02242 0.00176 30 5PY 0.00839 -0.00411 0.02070 0.01519 0.05320 31 5PZ 0.00934 -0.00377 0.02371 0.01338 0.05566 32 6PX 0.02735 0.05047 0.03274 -0.05382 0.00125 33 6PY 0.02299 -0.07018 -0.05422 0.01814 0.04493 34 6PZ 0.07028 0.01862 -0.01019 -0.05395 0.04681 35 7D 0 -0.19592 0.04244 -0.05444 0.15931 -0.14463 36 7D+1 0.11950 0.25031 0.15339 -0.10774 0.17252 37 7D-1 -0.12427 -0.26339 0.15913 -0.26424 0.00132 38 7D+2 -0.07943 0.09481 0.18114 -0.24099 -0.07296 39 7D-2 -0.13957 -0.26821 -0.04219 0.19626 0.17093 40 8D 0 -0.06297 0.01326 -0.01773 0.05165 -0.04672 41 8D+1 0.03817 0.08126 0.04991 -0.03491 0.05639 42 8D-1 -0.04185 -0.08838 0.05221 -0.08672 0.00041 43 8D+2 -0.02539 0.03064 0.05878 -0.07828 -0.02355 44 8D-2 -0.04570 -0.08663 -0.01356 0.06377 0.05584 45 3 Cu 1S 0.00002 0.00000 0.00000 -0.00001 0.00000 46 2S 0.00091 -0.00028 0.00011 -0.00001 -0.00002 47 3S 0.00203 -0.00034 0.00045 -0.00015 -0.00016 48 4PX -0.00438 -0.00901 0.00038 -0.00062 0.00002 49 4PY 0.00553 -0.00560 0.00055 0.00014 0.00000 50 4PZ 0.00802 -0.00107 0.00036 0.00047 -0.00001 51 5PX 0.00874 0.01768 -0.00391 0.00604 0.00006 52 5PY -0.01107 0.01097 -0.00562 -0.00129 0.00003 53 5PZ -0.01537 0.00200 -0.00362 -0.00466 -0.00006 54 6PX 0.01213 0.02526 0.02024 -0.03068 -0.00004 55 6PY -0.01553 0.01577 0.02800 0.00662 0.00004 56 6PZ -0.02256 0.00329 0.01874 0.02314 0.00003 57 7D 0 -0.34011 -0.00369 0.07906 0.08710 0.00007 58 7D+1 0.08904 0.08013 0.09257 -0.04116 -0.00039 59 7D-1 0.01038 -0.00990 0.02730 -0.05700 -0.00075 60 7D+2 -0.03337 0.31387 0.08834 -0.01143 0.00006 61 7D-2 -0.01414 -0.14026 -0.00496 0.10200 0.00063 62 8D 0 -0.11429 -0.00179 0.02556 0.02742 0.00002 63 8D+1 0.03086 0.02528 0.03121 -0.01311 -0.00012 64 8D-1 0.00280 -0.00459 0.00935 -0.01929 -0.00024 65 8D+2 -0.01066 0.10606 0.02790 -0.00292 0.00002 66 8D-2 -0.00293 -0.04692 -0.00086 0.03397 0.00019 67 4 Cu 1S -0.00110 -0.00006 -0.00044 -0.00084 -0.00002 68 2S -0.05717 -0.00381 -0.00347 -0.00676 -0.00012 69 3S -0.07097 -0.00370 -0.03903 -0.07450 -0.00039 70 4PX 0.00239 -0.00355 -0.00572 0.00417 0.01060 71 4PY -0.00196 -0.00266 -0.00458 0.00135 0.00710 72 4PZ -0.00462 -0.00084 -0.00219 -0.00151 0.00193 73 5PX -0.01016 -0.01213 0.02399 -0.02059 -0.06349 74 5PY 0.00791 -0.00695 0.01987 -0.00605 -0.04245 75 5PZ 0.03252 -0.00053 0.01693 0.02013 -0.01145 76 6PX -0.01289 -0.06253 -0.03373 0.02814 -0.05342 77 6PY 0.04733 -0.03928 -0.04186 -0.01699 -0.03574 78 6PZ -0.07737 -0.01453 0.03063 0.07340 -0.00937 79 7D 0 -0.30967 0.00664 0.20417 0.32711 -0.04258 80 7D+1 -0.11822 0.07753 0.03194 -0.12831 -0.11637 81 7D-1 0.35089 0.04350 0.07830 0.02550 -0.11974 82 7D+2 0.09004 0.18938 0.06898 0.12712 0.22675 83 7D-2 0.11449 -0.08714 0.12803 0.28081 -0.06662 84 8D 0 -0.10072 0.00226 0.06626 0.10608 -0.01396 85 8D+1 -0.03838 0.02541 0.01043 -0.04176 -0.03824 86 8D-1 0.11478 0.01452 0.02570 0.00860 -0.03916 87 8D+2 0.03057 0.06050 0.02245 0.04172 0.07357 88 8D-2 0.03998 -0.02774 0.04200 0.09194 -0.02153 89 5 Cu 1S 0.00004 -0.00002 0.00003 0.00001 0.00000 90 2S -0.00088 0.00029 -0.00080 -0.00057 -0.00003 91 3S 0.00038 0.00034 -0.00058 0.00005 -0.00001 92 4PX -0.00898 -0.01881 0.01261 -0.01920 -0.00004 93 4PY 0.01108 -0.01154 0.01739 0.00404 0.00000 94 4PZ 0.01692 -0.00221 0.01174 0.01463 0.00000 95 5PX 0.03634 0.07532 -0.07145 0.10890 0.00011 96 5PY -0.04527 0.04671 -0.09912 -0.02318 0.00003 97 5PZ -0.06753 0.00888 -0.06623 -0.08245 -0.00001 98 6PX 0.02224 0.04684 0.00781 -0.01181 -0.00039 99 6PY -0.02824 0.02932 0.01110 0.00262 0.00005 100 6PZ -0.04240 0.00614 0.00705 0.00876 0.00028 101 7D 0 -0.17725 0.04154 -0.12485 -0.14692 -0.00116 102 7D+1 -0.02870 0.17564 -0.13268 0.06881 0.00028 103 7D-1 0.06028 0.09740 -0.03815 0.08053 -0.00063 104 7D+2 -0.06190 0.11605 -0.14533 0.02642 0.00121 105 7D-2 -0.15404 -0.09081 0.01513 -0.15142 0.00032 106 8D 0 -0.05690 0.01211 -0.03890 -0.04618 -0.00033 107 8D+1 -0.00709 0.05267 -0.04061 0.02154 0.00008 108 8D-1 0.01780 0.02846 -0.01161 0.02466 -0.00017 109 8D+2 -0.01869 0.03862 -0.04571 0.00864 0.00035 110 8D-2 -0.04549 -0.02871 0.00511 -0.04675 0.00009 111 6 Cu 1S -0.00259 -0.00015 -0.00076 -0.00140 0.00001 112 2S 0.05332 0.00381 -0.00413 -0.00779 -0.00038 113 3S -0.00212 0.00112 -0.04716 -0.08800 0.00053 114 4PX 0.00343 -0.00182 -0.00134 -0.00087 0.00303 115 4PY -0.00292 -0.00163 0.00093 0.00287 0.00206 116 4PZ -0.00757 -0.00080 -0.00169 -0.00287 0.00055 117 5PX -0.00543 -0.00019 0.02335 0.00019 0.00207 118 5PY 0.00572 0.00094 0.00757 -0.01484 0.00157 119 5PZ 0.00848 0.00058 -0.00954 -0.02557 0.00034 120 6PX 0.00103 -0.04181 -0.01535 0.02615 0.01160 121 6PY 0.01699 -0.02719 -0.02782 -0.01536 0.00769 122 6PZ -0.05006 -0.00975 0.00069 0.01077 0.00204 123 7D 0 -0.03003 0.03330 0.05732 0.23707 0.09435 124 7D+1 -0.06582 0.11695 -0.21845 -0.01826 0.31323 125 7D-1 0.10973 0.07700 -0.10707 0.09570 0.18690 126 7D+2 0.03065 0.03751 0.07626 -0.08126 0.10971 127 7D-2 0.03380 -0.03568 -0.06321 -0.10688 -0.10190 128 8D 0 -0.01089 0.01148 0.01909 0.07835 0.03164 129 8D+1 -0.02337 0.04032 -0.07227 -0.00702 0.10500 130 8D-1 0.03932 0.02676 -0.03475 0.03191 0.06271 131 8D+2 0.01121 0.01226 0.02404 -0.02732 0.03650 132 8D-2 0.01245 -0.01199 -0.02192 -0.03781 -0.03405 133 7 Cu 1S 0.00058 -0.00090 0.00095 0.00003 0.00000 134 2S 0.03174 -0.04827 0.00765 0.00029 -0.00013 135 3S 0.03863 -0.06011 0.08551 0.00350 -0.00015 136 4PX -0.00445 -0.00003 -0.00143 0.00672 -0.01013 137 4PY -0.00202 0.00419 -0.00220 -0.00129 0.00177 138 4PZ 0.00102 0.00337 -0.00089 -0.00492 0.00728 139 5PX -0.00244 -0.01616 0.00931 -0.02933 0.06100 140 5PY 0.01878 -0.02537 0.02449 0.00609 -0.01067 141 5PZ 0.01140 -0.00321 0.00452 0.02167 -0.04383 142 6PX -0.04194 -0.04585 -0.00946 0.04116 0.05202 143 6PY -0.03579 0.07365 0.08111 -0.00438 -0.00913 144 6PZ 0.05922 -0.01134 -0.02961 -0.03086 -0.03740 145 7D 0 -0.19870 -0.01363 0.29702 0.02269 0.18535 146 7D+1 0.12310 -0.04441 0.31015 -0.00401 -0.05659 147 7D-1 -0.15612 0.29847 -0.09725 -0.06526 0.11623 148 7D+2 -0.12618 0.32204 0.25874 0.03360 -0.15161 149 7D-2 -0.14063 0.03919 -0.13118 0.08158 -0.10235 150 8D 0 -0.06330 -0.00460 0.09668 0.00726 0.06009 151 8D+1 0.04128 -0.01701 0.10160 -0.00122 -0.01828 152 8D-1 -0.05097 0.09792 -0.03200 -0.02131 0.03808 153 8D+2 -0.04192 0.10487 0.08369 0.01101 -0.04935 154 8D-2 -0.04585 0.01269 -0.04268 0.02658 -0.03371 155 8 Cu 1S 0.00116 0.00231 -0.00086 0.00133 -0.00001 156 2S -0.02468 -0.04823 -0.00474 0.00703 0.00028 157 3S -0.00027 0.00113 -0.05370 0.08354 -0.00053 158 4PX 0.00402 0.00780 -0.00108 0.00172 -0.00009 159 4PY 0.00192 0.00002 0.00108 -0.00295 -0.00258 160 4PZ 0.00109 -0.00176 -0.00212 0.00208 -0.00267 161 5PX -0.00507 -0.00980 -0.01599 0.02596 -0.00011 162 5PY -0.00177 -0.00261 0.01345 0.01084 -0.00202 163 5PZ 0.00130 0.00313 0.01678 0.00733 -0.00177 164 6PX 0.02010 0.03777 -0.00121 0.00086 -0.00029 165 6PY 0.02119 -0.03623 -0.03109 0.00820 -0.00974 166 6PZ 0.04202 0.00156 -0.00708 -0.03091 -0.01023 167 7D 0 -0.06642 0.05389 -0.06381 0.12442 -0.22575 168 7D+1 -0.04739 0.09929 -0.15565 -0.11071 -0.22382 169 7D-1 -0.03131 -0.07913 -0.05936 0.10529 0.01346 170 7D+2 -0.06543 -0.01330 0.12053 -0.19755 -0.14276 171 7D-2 -0.10197 -0.02737 -0.16649 -0.07203 -0.20738 172 8D 0 -0.02231 0.01839 -0.02183 0.04130 -0.07543 173 8D+1 -0.01620 0.03511 -0.05157 -0.03529 -0.07512 174 8D-1 -0.01150 -0.02863 -0.02087 0.03683 0.00451 175 8D+2 -0.02240 -0.00506 0.04003 -0.06612 -0.04773 176 8D-2 -0.03582 -0.01011 -0.05392 -0.02441 -0.06962 177 9 C 1S 0.00028 -0.00004 0.00008 0.00008 -0.00001 178 2S -0.00043 0.00003 -0.00007 -0.00013 0.00002 179 3S -0.00213 0.00052 -0.00094 -0.00079 0.00005 180 4PX 0.01381 0.02841 -0.01837 0.02800 0.00006 181 4PY -0.01726 0.01735 -0.02508 -0.00593 0.00003 182 4PZ -0.02517 0.00343 -0.01720 -0.02134 -0.00004 183 5PX -0.00121 -0.00263 -0.00129 0.00239 0.00001 184 5PY 0.00142 -0.00155 -0.00219 -0.00063 0.00001 185 5PZ 0.00262 -0.00039 -0.00115 -0.00172 -0.00001 186 10 O 1S -0.00005 0.00000 -0.00001 -0.00002 0.00000 187 2S 0.00009 0.00001 0.00003 0.00004 0.00000 188 3S 0.00040 -0.00010 0.00005 0.00010 0.00000 189 4PX -0.02206 -0.04602 0.02805 -0.04255 -0.00007 190 4PY 0.02735 -0.02795 0.03804 0.00887 -0.00003 191 4PZ 0.04119 -0.00564 0.02634 0.03262 0.00003 192 5PX -0.01053 -0.02196 0.01479 -0.02251 -0.00003 193 5PY 0.01308 -0.01339 0.02012 0.00471 -0.00002 194 5PZ 0.01958 -0.00266 0.01388 0.01725 0.00001 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26524 -0.26522 -0.26392 -0.26257 -0.26250 1 1 Cu 1S 0.00086 0.00000 -0.00124 -0.00040 -0.00288 2 2S -0.01816 -0.00011 0.04223 0.00637 0.04680 3 3S 0.02895 0.00001 0.01584 -0.01185 -0.08357 4 4PX -0.00125 0.00112 0.00328 -0.00026 0.00350 5 4PY -0.00183 -0.00021 0.00214 0.00053 0.00299 6 4PZ -0.00128 -0.00083 0.00404 0.00105 0.00392 7 5PX -0.00699 0.02113 -0.00779 0.01263 0.00488 8 5PY 0.01802 -0.00355 -0.01064 0.00068 0.01990 9 5PZ -0.01389 -0.01524 -0.00822 -0.00769 0.00536 10 6PX 0.00262 0.00437 -0.00626 0.02883 -0.01369 11 6PY 0.01050 -0.00055 -0.00756 -0.00465 0.00579 12 6PZ 0.00097 -0.00330 -0.00700 -0.02348 -0.01157 13 7D 0 -0.16038 -0.24183 -0.00114 0.05467 -0.04562 14 7D+1 -0.32203 0.09623 -0.37200 -0.08834 -0.03890 15 7D-1 0.39801 -0.00517 0.09512 -0.33389 -0.05077 16 7D+2 0.07314 0.12623 0.25893 0.12073 -0.08255 17 7D-2 0.22642 -0.05782 -0.07305 0.44602 -0.11553 18 8D 0 -0.05311 -0.07973 0.00007 0.01845 -0.01401 19 8D+1 -0.10578 0.03190 -0.12172 -0.02904 -0.01297 20 8D-1 0.13176 -0.00070 0.03095 -0.10904 -0.01806 21 8D+2 0.02369 0.04112 0.08539 0.03926 -0.02571 22 8D-2 0.07527 -0.02041 -0.02427 0.14532 -0.03927 23 2 Cu 1S 0.00065 -0.00108 0.00061 0.00180 -0.00140 24 2S 0.00138 -0.00214 0.02452 0.00514 -0.00467 25 3S 0.02475 -0.04147 0.00928 0.07667 -0.05830 26 4PX -0.00570 0.01000 -0.01224 0.00550 -0.00441 27 4PY 0.01425 -0.00044 0.00483 -0.01068 0.00219 28 4PZ 0.00719 0.01223 -0.00474 0.00413 -0.00967 29 5PX 0.02545 -0.04492 0.05193 -0.03689 0.02915 30 5PY -0.06767 0.00966 -0.02830 0.04441 -0.00406 31 5PZ -0.02759 -0.06127 0.02759 -0.01186 0.04142 32 6PX 0.00660 -0.01131 0.02227 -0.03716 0.02878 33 6PY -0.02086 0.01174 -0.01811 0.02134 -0.00761 34 6PZ -0.00035 -0.02285 0.01675 -0.01051 0.01773 35 7D 0 0.01545 0.09077 0.00108 0.11667 -0.00375 36 7D+1 -0.07022 0.00429 -0.06138 0.00505 0.02551 37 7D-1 0.04373 -0.07279 0.04618 -0.17713 0.13395 38 7D+2 0.09267 -0.09732 0.00453 -0.11753 0.14286 39 7D-2 -0.03118 -0.05825 0.06604 0.02251 0.00620 40 8D 0 0.00584 0.02924 -0.00015 0.03662 -0.00254 41 8D+1 -0.02138 0.00251 -0.01888 0.00185 0.00921 42 8D-1 0.01327 -0.02224 0.01300 -0.05579 0.04222 43 8D+2 0.02989 -0.03034 0.00207 -0.03837 0.04527 44 8D-2 -0.00856 -0.01832 0.02023 0.00820 0.00244 45 3 Cu 1S 0.00007 0.00001 0.00313 0.00002 -0.00001 46 2S -0.00109 -0.00009 -0.03423 -0.00052 -0.00032 47 3S 0.00218 0.00023 0.12539 -0.00003 -0.00124 48 4PX 0.00225 -0.00359 0.00159 -0.00312 0.00254 49 4PY 0.00312 0.00065 -0.00328 0.00099 0.00294 50 4PZ 0.00232 0.00261 0.00300 0.00278 0.00180 51 5PX 0.00748 -0.01193 0.01110 -0.00166 0.00126 52 5PY 0.01033 0.00219 -0.02254 0.00058 0.00180 53 5PZ 0.00772 0.00870 0.02103 0.00138 0.00076 54 6PX 0.00765 -0.01264 0.00244 -0.01307 0.01053 55 6PY 0.01114 0.00231 -0.00519 0.00431 0.01248 56 6PZ 0.00773 0.00919 0.00467 0.01139 0.00736 57 7D 0 -0.10615 -0.13697 -0.01581 -0.19245 -0.07153 58 7D+1 -0.06960 0.06337 -0.05431 0.07454 0.03334 59 7D-1 -0.01288 0.04177 0.11105 -0.03050 0.03018 60 7D+2 -0.13646 0.04769 0.04556 0.08363 -0.18824 61 7D-2 0.03208 -0.09635 0.05877 0.00436 0.08932 62 8D 0 -0.03389 -0.04453 -0.00523 -0.06479 -0.02429 63 8D+1 -0.02073 0.02040 -0.01795 0.02506 0.01055 64 8D-1 -0.00353 0.01233 0.03661 -0.00984 0.00988 65 8D+2 -0.04427 0.01613 0.01501 0.02792 -0.06333 66 8D-2 0.01111 -0.02963 0.01937 0.00085 0.02989 67 4 Cu 1S 0.00064 0.00109 0.00062 -0.00211 -0.00086 68 2S 0.00130 0.00202 0.02460 -0.00673 -0.00311 69 3S 0.02388 0.04134 0.00969 -0.08937 -0.03576 70 4PX 0.01169 -0.00818 0.00028 -0.00181 -0.00695 71 4PY 0.01120 0.00031 0.00260 0.01008 -0.00001 72 4PZ -0.00508 -0.01350 -0.01371 -0.01009 -0.00514 73 5PX -0.04903 0.04094 0.00403 -0.00141 0.03043 74 5PY -0.05451 -0.00973 -0.01984 -0.03606 0.00581 75 5PZ 0.02487 0.06401 0.06191 0.05522 0.02760 76 6PX -0.00709 0.01500 0.00512 -0.00381 0.00760 77 6PY -0.01812 -0.01283 -0.01496 -0.01427 0.00017 78 6PZ 0.00922 0.02021 0.02922 0.04932 0.02148 79 7D 0 0.02777 0.07676 -0.05190 0.13463 0.07052 80 7D+1 -0.07757 -0.06589 -0.03316 -0.11556 0.00674 81 7D-1 0.02497 0.11982 0.07794 0.12148 0.07244 82 7D+2 0.09495 -0.00908 0.01492 0.06854 0.08920 83 7D-2 -0.00472 0.04402 0.00659 0.16965 0.03530 84 8D 0 0.00904 0.02363 -0.01519 0.04379 0.02303 85 8D+1 -0.02313 -0.02185 -0.01053 -0.03705 0.00254 86 8D-1 0.00888 0.03751 0.02377 0.03798 0.02349 87 8D+2 0.03021 -0.00343 0.00411 0.02229 0.02659 88 8D-2 -0.00246 0.01325 0.00094 0.05335 0.01166 89 5 Cu 1S -0.00005 -0.00001 -0.00155 0.00002 0.00003 90 2S 0.00027 0.00010 0.01316 0.00003 -0.00017 91 3S -0.00303 -0.00009 -0.14760 0.00026 0.00101 92 4PX -0.00307 0.00500 -0.00005 0.00907 -0.00742 93 4PY -0.00443 -0.00093 0.00000 -0.00296 -0.00865 94 4PZ -0.00310 -0.00365 -0.00006 -0.00797 -0.00528 95 5PX 0.00954 -0.01574 0.01630 -0.05323 0.04311 96 5PY 0.01346 0.00319 -0.03145 0.01754 0.05099 97 5PZ 0.00988 0.01143 0.03012 0.04646 0.03038 98 6PX -0.01796 0.02797 -0.00086 -0.05553 0.04525 99 6PY -0.02597 -0.00491 0.00401 0.01813 0.05298 100 6PZ -0.01752 -0.01980 -0.00170 0.04842 0.03170 101 7D 0 0.05554 0.08598 -0.00869 -0.07386 -0.02268 102 7D+1 0.01070 -0.03605 -0.02344 0.02905 0.02630 103 7D-1 -0.00135 -0.00484 0.04903 -0.01980 0.01736 104 7D+2 0.08478 -0.04041 0.01745 0.03678 -0.07175 105 7D-2 -0.03058 0.03118 0.02747 0.01420 0.03728 106 8D 0 0.01640 0.02552 -0.00258 -0.02057 -0.00664 107 8D+1 0.00290 -0.01067 -0.00692 0.00806 0.00619 108 8D-1 -0.00049 -0.00124 0.01445 -0.00483 0.00433 109 8D+2 0.02517 -0.01208 0.00515 0.00985 -0.01990 110 8D-2 -0.00917 0.00901 0.00809 0.00291 0.01007 111 6 Cu 1S -0.00045 -0.00075 -0.00118 0.00269 0.00111 112 2S 0.00985 0.01633 0.04102 -0.04407 -0.01860 113 3S -0.01402 -0.02410 0.01721 0.07653 0.03057 114 4PX -0.00042 0.00166 0.00306 -0.00331 -0.00061 115 4PY -0.00139 -0.00073 -0.00392 0.00352 0.00203 116 4PZ -0.00115 -0.00156 -0.00224 0.00303 0.00142 117 5PX -0.01539 0.01653 -0.00722 -0.00071 -0.01316 118 5PY -0.01970 -0.00563 0.00836 0.00631 -0.00647 119 5PZ 0.00539 0.01711 0.01086 0.01887 0.00535 120 6PX -0.00489 0.00019 -0.00591 0.02060 -0.02509 121 6PY -0.00192 0.00188 0.00630 -0.00612 -0.02522 122 6PZ 0.00473 0.01013 0.00813 0.00544 -0.00370 123 7D 0 -0.04044 -0.04497 -0.21849 -0.11265 0.10919 124 7D+1 0.05408 0.20767 0.07505 -0.23365 0.40975 125 7D-1 -0.17233 -0.33848 0.10625 -0.01577 0.32440 126 7D+2 -0.32914 -0.04335 0.16466 -0.00267 0.00418 127 7D-2 -0.05237 -0.33909 0.36749 -0.00866 -0.10658 128 8D 0 -0.01399 -0.01506 -0.07227 -0.03518 0.03626 129 8D+1 0.01691 0.06969 0.02487 -0.07763 0.13311 130 8D-1 -0.05794 -0.11162 0.03469 -0.00377 0.10629 131 8D+2 -0.10836 -0.01438 0.05385 -0.00088 0.00198 132 8D-2 -0.01696 -0.11160 0.12025 -0.00294 -0.03507 133 7 Cu 1S -0.00123 -0.00001 0.00065 0.00031 0.00226 134 2S -0.00234 -0.00009 0.02430 0.00065 0.00618 135 3S -0.04756 -0.00038 0.01084 0.01346 0.09603 136 4PX 0.00122 -0.01397 0.00082 0.00623 0.00335 137 4PY -0.01409 0.00238 0.01407 -0.00255 -0.01156 138 4PZ 0.00493 0.01008 -0.00229 -0.00293 0.00916 139 5PX -0.01108 0.06192 0.00210 -0.02957 -0.00507 140 5PY 0.06793 -0.01049 -0.06404 0.01342 0.06209 141 5PZ -0.03094 -0.04478 0.01843 0.01676 -0.03059 142 6PX -0.00925 0.01418 0.00497 -0.00802 0.00281 143 6PY 0.02203 -0.00239 -0.03007 0.00881 0.05374 144 6PZ -0.01820 -0.01029 0.01387 0.00462 -0.01153 145 7D 0 0.06225 0.07333 0.01634 0.07062 0.13226 146 7D+1 0.02963 -0.02346 -0.00507 -0.00425 0.16735 147 7D-1 -0.12038 0.03759 0.07592 -0.04717 -0.15004 148 7D+2 0.04212 -0.05549 0.05606 -0.00314 0.07418 149 7D-2 -0.10001 -0.03101 0.03489 0.03498 -0.12603 150 8D 0 0.01914 0.02377 0.00496 0.02097 0.04269 151 8D+1 0.00830 -0.00788 -0.00043 -0.00088 0.05273 152 8D-1 -0.03817 0.01077 0.02319 -0.01557 -0.04723 153 8D+2 0.01305 -0.01730 0.01638 0.00022 0.02450 154 8D-2 -0.03177 -0.00812 0.01108 0.01149 -0.04029 155 8 Cu 1S -0.00046 0.00075 -0.00117 -0.00230 0.00179 156 2S 0.01009 -0.01617 0.04102 0.03730 -0.02981 157 3S -0.01466 0.02438 0.01761 -0.06630 0.05007 158 4PX -0.00129 0.00208 -0.00388 -0.00386 0.00312 159 4PY -0.00124 0.00005 -0.00270 -0.00162 0.00211 160 4PZ -0.00053 -0.00115 0.00274 0.00244 -0.00113 161 5PX 0.00501 -0.00962 0.01424 -0.01678 0.01226 162 5PY -0.02341 0.00411 0.00464 -0.00540 -0.00906 163 5PZ -0.00892 -0.02209 -0.00452 -0.00687 -0.00770 164 6PX 0.00539 -0.00963 0.01057 0.00154 -0.00234 165 6PY -0.00364 -0.00033 0.00348 -0.00590 -0.02892 166 6PZ -0.00279 -0.00340 -0.00402 -0.02658 -0.01355 167 7D 0 -0.16177 -0.21800 0.12451 0.13161 0.15388 168 7D+1 0.09791 -0.08070 -0.01136 0.31423 0.24191 169 7D-1 -0.23246 0.43092 0.42738 -0.01708 -0.01529 170 7D+2 -0.24027 0.12608 -0.16759 0.06919 0.12200 171 7D-2 -0.01630 0.13353 0.03638 0.14400 0.35334 172 8D 0 -0.05345 -0.07250 0.04116 0.04426 0.04978 173 8D+1 0.03137 -0.02749 -0.00388 0.10277 0.07849 174 8D-1 -0.07657 0.14202 0.13987 -0.00587 -0.00479 175 8D+2 -0.07992 0.04212 -0.05550 0.02095 0.04142 176 8D-2 -0.00651 0.04365 0.01214 0.04657 0.11536 177 9 C 1S -0.00013 -0.00002 -0.00322 -0.00005 -0.00006 178 2S 0.00023 -0.00003 0.00956 0.00012 0.00013 179 3S 0.00101 0.00040 0.00837 0.00049 0.00058 180 4PX 0.00509 -0.00829 -0.00365 -0.00258 0.00204 181 4PY 0.00765 0.00147 0.00730 0.00094 0.00258 182 4PZ 0.00501 0.00606 -0.00668 0.00221 0.00146 183 5PX -0.00128 0.00257 0.00763 0.00541 -0.00439 184 5PY -0.00232 -0.00052 -0.01520 -0.00175 -0.00497 185 5PZ -0.00138 -0.00203 0.01424 -0.00480 -0.00318 186 10 O 1S 0.00004 0.00001 0.00098 -0.00001 -0.00001 187 2S -0.00004 -0.00001 -0.00102 0.00002 0.00002 188 3S -0.00048 -0.00016 -0.01290 0.00001 0.00006 189 4PX -0.00487 0.00772 0.00264 0.00684 -0.00567 190 4PY -0.00712 -0.00134 -0.00545 -0.00222 -0.00658 191 4PZ -0.00475 -0.00559 0.00486 -0.00613 -0.00412 192 5PX -0.00134 0.00202 0.00056 0.00329 -0.00273 193 5PY -0.00194 -0.00033 -0.00133 -0.00109 -0.00323 194 5PZ -0.00124 -0.00141 0.00098 -0.00288 -0.00194 66 67 68 69 70 O O O O O EIGENVALUES -- -0.26127 -0.25855 -0.25852 -0.25776 -0.25770 1 1 Cu 1S -0.00077 0.00041 0.00009 -0.00154 -0.00024 2 2S -0.03517 -0.04143 -0.00800 -0.01067 -0.00181 3 3S -0.10417 -0.12535 -0.02373 -0.08436 -0.01357 4 4PX -0.00390 -0.00656 -0.00108 -0.00103 -0.00203 5 4PY -0.00344 -0.00698 -0.00140 0.00117 0.00048 6 4PZ -0.00458 -0.00734 -0.00155 -0.00232 0.00095 7 5PX 0.02382 0.03913 0.00009 0.01695 0.00779 8 5PY 0.02077 0.03456 0.00808 -0.01842 -0.00349 9 5PZ 0.02814 0.04302 0.01351 0.02985 0.00112 10 6PX 0.01182 0.01865 -0.00870 -0.00360 0.03048 11 6PY 0.01900 0.00767 0.00356 0.00920 -0.00412 12 6PZ 0.01221 0.01921 0.01253 0.00264 -0.02176 13 7D 0 0.03241 0.05742 0.13104 0.19715 0.09456 14 7D+1 0.11956 0.41132 0.02936 -0.13001 -0.05804 15 7D-1 0.35180 0.31278 0.04854 0.14442 -0.05157 16 7D+2 0.10351 0.00683 -0.05744 0.46548 0.07520 17 7D-2 0.23587 0.27674 0.10331 -0.10576 0.10405 18 8D 0 0.01091 0.01868 0.04351 0.06505 0.03191 19 8D+1 0.03961 0.13523 0.00952 -0.04251 -0.01936 20 8D-1 0.11481 0.10308 0.01635 0.04723 -0.01692 21 8D+2 0.03396 0.00229 -0.01928 0.15349 0.02437 22 8D-2 0.07699 0.09129 0.03371 -0.03509 0.03429 23 2 Cu 1S 0.00110 0.00036 -0.00043 0.00051 -0.00064 24 2S -0.05706 -0.03005 0.03559 0.00905 -0.01130 25 3S 0.08132 0.00630 -0.00840 0.03350 -0.04125 26 4PX -0.00309 0.00246 -0.00291 0.00119 -0.00188 27 4PY 0.00598 0.00020 -0.00239 -0.00806 -0.00370 28 4PZ -0.00562 -0.00229 0.00058 -0.00558 -0.00741 29 5PX 0.00276 -0.00933 0.01209 0.00107 0.00060 30 5PY -0.03088 0.00754 0.03166 0.03169 0.03132 31 5PZ 0.03012 0.03251 0.00378 0.03827 0.02637 32 6PX 0.00242 -0.00885 0.01079 0.02837 -0.03594 33 6PY -0.01959 0.00791 0.01573 -0.03043 0.02966 34 6PZ 0.01915 0.01706 0.00556 0.02010 -0.03371 35 7D 0 -0.02901 -0.12400 -0.10049 -0.08189 -0.14302 36 7D+1 0.01488 0.13131 -0.01932 -0.10245 0.05621 37 7D-1 0.15713 0.10543 -0.11654 -0.08507 0.11915 38 7D+2 0.05469 -0.05304 -0.07136 -0.13369 0.02352 39 7D-2 -0.01238 -0.00063 0.13516 0.03737 -0.10781 40 8D 0 -0.00995 -0.03944 -0.03190 -0.02686 -0.04535 41 8D+1 0.00533 0.03906 -0.00706 -0.03229 0.01751 42 8D-1 0.04938 0.03280 -0.03612 -0.02759 0.03859 43 8D+2 0.01859 -0.01696 -0.02280 -0.04214 0.00650 44 8D-2 -0.00475 -0.00136 0.04050 0.01153 -0.03381 45 3 Cu 1S 0.00152 -0.00002 -0.00001 0.00000 0.00000 46 2S -0.08441 0.00100 0.00049 0.00015 0.00013 47 3S -0.03065 0.00053 0.00034 -0.00006 0.00021 48 4PX 0.00282 0.00084 -0.00097 -0.00147 0.00175 49 4PY -0.00566 0.00102 0.00042 -0.00165 -0.00059 50 4PZ 0.00529 0.00047 0.00089 -0.00099 -0.00158 51 5PX -0.00412 -0.00046 0.00062 0.00423 -0.00504 52 5PY 0.00807 -0.00077 -0.00036 0.00490 0.00171 53 5PZ -0.00770 -0.00021 -0.00052 0.00288 0.00459 54 6PX -0.00859 -0.00076 0.00094 0.01303 -0.01546 55 6PY 0.01694 -0.00122 -0.00063 0.01487 0.00531 56 6PZ -0.01617 -0.00047 -0.00093 0.00882 0.01387 57 7D 0 0.02059 0.01100 -0.08399 0.06158 -0.02852 58 7D+1 0.05980 0.13274 0.04247 0.24212 0.02388 59 7D-1 -0.11689 0.07374 -0.08399 0.10836 -0.14873 60 7D+2 -0.04574 -0.09004 0.07486 -0.03922 0.09477 61 7D-2 -0.06246 0.06420 0.11954 0.07201 0.22348 62 8D 0 0.00689 0.00363 -0.02825 0.02109 -0.00795 63 8D+1 0.02001 0.04444 0.01427 0.08049 0.00737 64 8D-1 -0.03912 0.02469 -0.02811 0.03588 -0.04937 65 8D+2 -0.01531 -0.03027 0.02509 -0.01156 0.03095 66 8D-2 -0.02090 0.02155 0.03999 0.02330 0.07448 67 4 Cu 1S 0.00113 0.00017 0.00053 0.00030 0.00077 68 2S -0.05740 -0.01452 -0.04395 0.00490 0.01330 69 3S 0.08251 0.00254 0.00915 0.01943 0.04883 70 4PX -0.00298 -0.00239 -0.00173 -0.00927 0.00461 71 4PY 0.00586 -0.00016 0.00325 -0.00710 0.00066 72 4PZ -0.00559 0.00058 0.00257 -0.00051 0.00365 73 5PX 0.02022 0.03529 0.00579 0.05014 -0.01710 74 5PY -0.03375 0.01238 -0.03006 0.03100 -0.01716 75 5PZ 0.01696 0.00352 -0.00669 0.00934 -0.00149 76 6PX 0.01276 0.02066 0.00226 -0.00108 0.01468 77 6PY -0.02151 0.00894 -0.01389 -0.01736 -0.03224 78 6PZ 0.01144 -0.00042 -0.01060 0.02156 0.05868 79 7D 0 0.04415 0.03921 0.07352 -0.08606 -0.14376 80 7D+1 -0.03024 0.03324 0.02316 -0.09296 0.05070 81 7D-1 0.06332 0.03967 -0.04861 -0.03946 0.02204 82 7D+2 0.06219 -0.16889 0.12871 -0.14187 -0.01280 83 7D-2 0.13121 0.12836 0.14600 0.00768 -0.17690 84 8D 0 0.01572 0.01141 0.02295 -0.02690 -0.04439 85 8D+1 -0.00998 0.00794 0.00777 -0.02985 0.01591 86 8D-1 0.01972 0.01097 -0.01422 -0.01271 0.00663 87 8D+2 0.01964 -0.05264 0.04002 -0.04574 -0.00410 88 8D-2 0.04140 0.04031 0.04498 0.00245 -0.05691 89 5 Cu 1S -0.00049 -0.00001 -0.00001 0.00000 0.00000 90 2S -0.01349 -0.00001 0.00000 0.00003 -0.00010 91 3S 0.00375 -0.00088 -0.00027 0.00081 0.00029 92 4PX -0.00247 0.00243 -0.00274 0.00795 -0.00935 93 4PY 0.00517 0.00252 0.00101 0.00904 0.00323 94 4PZ -0.00459 0.00140 0.00258 0.00544 0.00843 95 5PX -0.00463 0.00551 -0.00559 -0.03519 0.04108 96 5PY 0.00880 0.00575 0.00256 -0.03966 -0.01397 97 5PZ -0.00868 0.00380 0.00571 -0.02377 -0.03692 98 6PX 0.00407 -0.00710 0.00738 0.02043 -0.02425 99 6PY -0.00850 -0.00763 -0.00310 0.02349 0.00850 100 6PZ 0.00665 -0.00438 -0.00721 0.01384 0.02173 101 7D 0 -0.00728 0.01782 0.05176 0.01391 -0.08769 102 7D+1 -0.02895 -0.00397 -0.02041 0.16164 0.04158 103 7D-1 0.05644 -0.00682 0.00455 0.07897 -0.10192 104 7D+2 0.02329 0.05074 -0.01741 -0.09323 0.08748 105 7D-2 0.03034 -0.02367 0.00029 0.07689 0.13885 106 8D 0 -0.00238 0.00446 0.01473 0.00354 -0.02546 107 8D+1 -0.00936 -0.00322 -0.00601 0.04536 0.01197 108 8D-1 0.01821 -0.00294 0.00253 0.02228 -0.02868 109 8D+2 0.00750 0.01462 -0.00569 -0.02705 0.02489 110 8D-2 0.00980 -0.00720 -0.00190 0.02197 0.03894 111 6 Cu 1S -0.00081 -0.00013 -0.00038 0.00057 0.00147 112 2S -0.03305 0.01415 0.04059 0.00425 0.00964 113 3S -0.10186 0.04267 0.12265 0.03181 0.07945 114 4PX -0.00345 0.00191 0.00602 0.00229 0.00048 115 4PY 0.00425 -0.00254 -0.00701 0.00032 -0.00247 116 4PZ 0.00351 -0.00257 -0.00725 0.00067 0.00096 117 5PX 0.02184 -0.00505 -0.03709 -0.01157 -0.01439 118 5PY -0.02648 0.01923 0.04078 0.00820 0.02977 119 5PZ -0.02183 0.01419 0.03621 -0.00698 -0.01562 120 6PX 0.01089 0.00647 -0.01904 -0.02983 0.01081 121 6PY -0.01062 0.01492 0.01772 -0.01984 0.00696 122 6PZ -0.01962 0.00548 0.00878 -0.00214 0.00945 123 7D 0 -0.07026 0.00820 -0.00210 0.22060 0.45735 124 7D+1 -0.23133 0.14479 0.26870 0.09302 -0.12020 125 7D-1 0.35703 -0.10899 -0.33082 0.00687 -0.17897 126 7D+2 0.03311 0.14929 0.04126 0.02471 -0.08560 127 7D-2 -0.08956 0.07030 0.38571 -0.08952 -0.11110 128 8D 0 -0.02326 0.00254 -0.00076 0.07275 0.15089 129 8D+1 -0.07550 0.04735 0.08867 0.03062 -0.03979 130 8D-1 0.11653 -0.03622 -0.10895 0.00225 -0.05866 131 8D+2 0.01060 0.04959 0.01331 0.00891 -0.02828 132 8D-2 -0.02976 0.02296 0.12683 -0.02968 -0.03625 133 7 Cu 1S 0.00109 -0.00056 -0.00011 -0.00083 -0.00013 134 2S -0.05612 0.04667 0.00945 -0.01395 -0.00197 135 3S 0.08120 -0.01072 -0.00209 -0.05357 -0.00814 136 4PX -0.00302 0.00231 0.00221 -0.00217 0.00963 137 4PY 0.00632 0.00228 0.00013 0.00340 -0.00123 138 4PZ -0.00566 0.00334 -0.00059 -0.00077 -0.00727 139 5PX 0.02027 -0.01200 -0.03411 0.00424 -0.05067 140 5PY -0.02071 -0.00420 0.00470 0.00147 0.00924 141 5PZ 0.03306 -0.02859 0.01717 -0.01013 0.03531 142 6PX 0.01234 -0.00572 -0.02001 -0.01360 0.00385 143 6PY -0.01342 -0.00963 0.00099 0.06354 0.00868 144 6PZ 0.02072 -0.01339 0.01118 -0.03227 -0.00920 145 7D 0 -0.06983 0.12609 -0.15215 -0.11587 -0.13414 146 7D+1 -0.13032 0.17370 0.10005 -0.17067 0.03300 147 7D-1 0.07602 0.02520 -0.04381 0.00081 0.05770 148 7D+2 -0.00569 0.02367 0.11916 -0.11350 0.01370 149 7D-2 0.04112 0.01849 0.01738 0.04322 -0.10528 150 8D 0 -0.02296 0.03917 -0.04770 -0.03627 -0.04307 151 8D+1 -0.04113 0.05367 0.03152 -0.05497 0.01061 152 8D-1 0.02389 0.00715 -0.01203 0.00060 0.01847 153 8D+2 -0.00337 0.00735 0.03639 -0.03480 0.00477 154 8D-2 0.01345 0.00597 0.00301 0.01345 -0.03378 155 8 Cu 1S -0.00079 -0.00025 0.00030 0.00097 -0.00123 156 2S -0.03388 0.02842 -0.03197 0.00651 -0.00789 157 3S -0.10228 0.08613 -0.09705 0.05241 -0.06590 158 4PX 0.00535 -0.00706 0.00796 0.00018 -0.00018 159 4PY 0.00279 -0.00306 0.00323 0.00000 0.00251 160 4PZ -0.00280 0.00287 -0.00350 0.00249 -0.00043 161 5PX -0.03303 0.03787 -0.04232 -0.00289 0.00308 162 5PY -0.01705 0.02339 -0.01715 0.01421 -0.02454 163 5PZ 0.01764 -0.01402 0.02583 -0.02043 0.01812 164 6PX -0.02399 0.01285 -0.01380 0.00414 -0.00624 165 6PY -0.00459 0.01811 -0.00439 -0.02220 -0.01478 166 6PZ 0.00581 -0.00162 0.01861 -0.02010 -0.01903 167 7D 0 -0.08812 0.19857 -0.02973 -0.05409 0.22791 168 7D+1 -0.27662 0.21818 -0.25712 0.19394 -0.10323 169 7D-1 0.08136 0.13848 -0.16813 -0.15685 0.18508 170 7D+2 0.17826 -0.12285 0.24615 0.25690 -0.21970 171 7D-2 0.27646 -0.22940 0.24177 -0.08945 0.23777 172 8D 0 -0.02867 0.06564 -0.00967 -0.01737 0.07560 173 8D+1 -0.09055 0.07145 -0.08495 0.06369 -0.03413 174 8D-1 0.02604 0.04542 -0.05514 -0.05144 0.06065 175 8D+2 0.05802 -0.04042 0.08125 0.08513 -0.07241 176 8D-2 0.09052 -0.07586 0.07930 -0.02965 0.07816 177 9 C 1S -0.01342 0.00010 0.00007 0.00007 0.00002 178 2S 0.02795 -0.00023 -0.00019 -0.00023 -0.00012 179 3S 0.07752 -0.00050 -0.00022 -0.00010 0.00013 180 4PX -0.01336 -0.00027 0.00070 -0.00361 0.00409 181 4PY 0.02696 -0.00058 -0.00038 -0.00426 -0.00140 182 4PZ -0.02426 -0.00004 -0.00047 -0.00235 -0.00363 183 5PX -0.00442 -0.00152 0.00200 -0.00280 0.00360 184 5PY 0.00908 -0.00186 -0.00084 -0.00325 -0.00133 185 5PZ -0.00776 -0.00084 -0.00185 -0.00202 -0.00331 186 10 O 1S 0.00192 0.00000 0.00000 -0.00001 0.00000 187 2S -0.00599 0.00003 0.00002 0.00005 0.00003 188 3S -0.00677 -0.00012 -0.00009 -0.00008 -0.00014 189 4PX 0.00783 0.00269 -0.00337 0.00678 -0.00772 190 4PY -0.01585 0.00293 0.00134 0.00770 0.00260 191 4PZ 0.01385 0.00158 0.00319 0.00461 0.00703 192 5PX 0.00332 0.00211 -0.00258 0.00447 -0.00516 193 5PY -0.00679 0.00225 0.00100 0.00498 0.00171 194 5PZ 0.00573 0.00127 0.00249 0.00312 0.00481 71 72 73 74 75 O O O O O EIGENVALUES -- -0.25688 -0.25263 -0.25261 -0.25257 -0.24845 1 1 Cu 1S 0.00000 0.00077 0.00017 0.00004 -0.00147 2 2S -0.00025 -0.04864 -0.00028 0.02686 0.04632 3 3S -0.00082 -0.03478 0.00685 0.03805 -0.05024 4 4PX -0.00037 -0.00725 0.00422 0.00266 0.00199 5 4PY 0.00004 0.00337 -0.00206 -0.00527 0.00246 6 4PZ 0.00018 -0.00917 -0.00234 0.00812 0.00261 7 5PX 0.00174 0.02356 -0.02702 -0.00819 0.00843 8 5PY -0.00026 -0.02355 0.01202 0.03250 -0.00830 9 5PZ -0.00073 0.02792 0.01244 -0.03842 0.01126 10 6PX -0.00652 0.01371 -0.01364 -0.00385 0.01243 11 6PY 0.00122 0.00373 0.00759 0.01126 -0.04592 12 6PZ 0.00484 0.01252 0.00684 -0.01776 0.03248 13 7D 0 0.00655 0.19683 0.22447 -0.28430 -0.02691 14 7D+1 0.03118 0.32450 -0.07779 -0.09997 0.09655 15 7D-1 0.18088 -0.06590 0.05764 0.01279 -0.08105 16 7D+2 -0.08876 0.22536 -0.19448 -0.17048 -0.09796 17 7D-2 -0.23961 -0.07011 0.01325 0.08931 -0.01761 18 8D 0 0.00450 0.06568 0.07486 -0.09380 -0.01012 19 8D+1 0.00935 0.10729 -0.02555 -0.03240 0.03046 20 8D-1 0.05986 -0.02231 0.01929 0.00335 -0.02461 21 8D+2 -0.03056 0.07557 -0.06461 -0.05628 -0.03270 22 8D-2 -0.07861 -0.02371 0.00346 0.02939 -0.00425 23 2 Cu 1S 0.00002 0.00139 0.00260 -0.00215 0.00023 24 2S 0.00018 0.00098 0.01753 0.01138 0.01495 25 3S 0.00127 0.07121 0.09418 -0.14288 0.02451 26 4PX -0.00013 -0.00344 -0.00968 0.00305 -0.00349 27 4PY -0.00714 0.00446 0.00073 0.00352 -0.00248 28 4PZ -0.00729 0.00506 -0.00280 -0.00067 -0.00541 29 5PX 0.00066 0.01026 0.03373 -0.00520 0.01334 30 5PY 0.02737 -0.02262 -0.00882 0.00594 0.01045 31 5PZ 0.02846 -0.01006 0.01545 -0.01485 0.02534 32 6PX 0.00052 -0.00807 -0.00920 0.01490 -0.00828 33 6PY -0.00132 -0.02096 0.00184 -0.00260 0.06989 34 6PZ -0.00009 -0.01821 0.00866 -0.00890 0.05770 35 7D 0 -0.23674 -0.12213 -0.13181 0.04796 0.06636 36 7D+1 0.21703 0.02261 -0.07853 0.05637 0.09636 37 7D-1 0.00232 -0.08808 -0.08394 0.20897 -0.07679 38 7D+2 -0.12681 0.06954 0.26336 -0.11319 0.12655 39 7D-2 0.21848 0.07278 0.03575 -0.00878 0.16120 40 8D 0 -0.07590 -0.03847 -0.04235 0.01533 0.01902 41 8D+1 0.06993 0.00743 -0.02545 0.01884 0.02910 42 8D-1 0.00073 -0.02874 -0.02724 0.06812 -0.02358 43 8D+2 -0.04061 0.02247 0.08420 -0.03575 0.03953 44 8D-2 0.07036 0.02398 0.01153 -0.00335 0.05090 45 3 Cu 1S 0.00000 -0.00044 0.00056 0.00179 -0.00002 46 2S 0.00009 0.00202 -0.00231 -0.00758 0.00027 47 3S 0.00008 -0.01538 0.02059 0.06583 0.00056 48 4PX -0.00004 -0.00013 0.00032 0.00065 0.00178 49 4PY 0.00001 0.00044 -0.00040 -0.00129 0.00308 50 4PZ 0.00002 -0.00024 0.00034 0.00131 0.00217 51 5PX 0.00003 -0.00013 0.00062 0.00133 -0.00932 52 5PY -0.00003 0.00081 -0.00085 -0.00276 -0.01612 53 5PZ 0.00000 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0.00002 0.01126 -0.00361 -0.01161 -0.00804 94 4PZ -0.00016 0.00363 -0.00073 0.01551 -0.00611 95 5PX -0.00143 -0.00998 -0.04854 -0.01317 0.01172 96 5PY -0.00004 -0.04468 0.01147 0.03681 0.01896 97 5PZ 0.00079 -0.01820 0.00655 -0.05486 0.01458 98 6PX 0.00038 0.00662 0.01237 -0.00882 -0.04136 99 6PY -0.00002 0.00915 0.00430 0.01333 -0.06937 100 6PZ -0.00022 0.01236 -0.01009 -0.00713 -0.05092 101 7D 0 0.00221 -0.03470 0.06744 0.01200 0.03382 102 7D+1 0.00032 0.04913 0.03764 0.12929 -0.01613 103 7D-1 0.00267 0.07353 -0.01348 -0.23855 -0.00631 104 7D+2 -0.00248 -0.02425 -0.09729 -0.07873 0.05298 105 7D-2 -0.00202 0.09109 -0.07309 -0.09568 -0.02749 106 8D 0 0.00064 -0.01171 0.02087 0.00347 0.01109 107 8D+1 0.00007 0.01298 0.01073 0.03987 -0.00292 108 8D-1 0.00075 0.02235 -0.00589 -0.07359 -0.00135 109 8D+2 -0.00072 -0.00799 -0.02966 -0.02473 0.01646 110 8D-2 -0.00056 0.02709 -0.02079 -0.03055 -0.00760 111 6 Cu 1S -0.00001 -0.00048 0.00049 -0.00035 0.00082 112 2S -0.00021 0.01931 -0.01851 0.04803 -0.02602 113 3S -0.00067 0.00663 -0.00524 0.05253 0.02782 114 4PX 0.00038 0.00549 0.00091 0.00663 0.00135 115 4PY 0.00031 -0.00105 0.00496 -0.01179 0.00318 116 4PZ 0.00003 0.00020 0.00122 0.00584 0.00184 117 5PX -0.00137 -0.02456 -0.01458 -0.02375 -0.01817 118 5PY -0.00145 -0.00657 -0.01753 0.04778 -0.00298 119 5PZ 0.00022 -0.00367 -0.00499 -0.03908 -0.00631 120 6PX 0.00602 -0.01364 -0.00664 -0.01232 0.01574 121 6PY 0.00407 -0.00404 -0.00859 0.02202 0.03419 122 6PZ 0.00105 0.00579 -0.01019 -0.00787 -0.02040 123 7D 0 -0.08448 0.07586 -0.04236 0.41482 -0.07196 124 7D+1 -0.24384 0.01334 0.01095 -0.08853 -0.08378 125 7D-1 -0.16812 0.06171 0.03854 0.01659 0.03503 126 7D+2 0.04067 -0.16720 -0.26052 0.13526 -0.17307 127 7D-2 0.03283 0.21746 -0.05028 0.27413 0.14167 128 8D 0 -0.02784 0.02606 -0.01469 0.13761 -0.02435 129 8D+1 -0.08011 0.00447 0.00464 -0.02927 -0.02673 130 8D-1 -0.05574 0.02128 0.01265 0.00507 0.01059 131 8D+2 0.01603 -0.05549 -0.08678 0.04446 -0.05792 132 8D-2 0.00972 0.07224 -0.01689 0.09006 0.04601 133 7 Cu 1S -0.00001 -0.00281 -0.00127 -0.00194 -0.00048 134 2S 0.00019 -0.01666 0.00098 0.01217 -0.03366 135 3S -0.00043 -0.10671 -0.06990 -0.13389 -0.05433 136 4PX -0.00840 -0.00335 0.00402 -0.00415 -0.00001 137 4PY 0.00153 -0.00987 -0.00334 -0.00073 -0.00861 138 4PZ 0.00605 0.00010 -0.00500 -0.00156 0.00139 139 5PX 0.03277 0.00616 -0.01946 0.00067 -0.00290 140 5PY -0.00592 0.03821 0.01400 0.00739 0.03470 141 5PZ -0.02373 -0.00868 0.00810 -0.01447 -0.00923 142 6PX -0.00105 -0.00164 -0.02558 0.00098 -0.00136 143 6PY 0.00029 -0.00869 -0.00195 -0.01313 -0.02866 144 6PZ 0.00050 -0.00978 0.01217 -0.01162 0.01613 145 7D 0 0.28815 0.05972 0.08046 -0.04251 -0.00947 146 7D+1 -0.09426 -0.15730 -0.12791 -0.18959 -0.19820 147 7D-1 0.13997 -0.13993 0.00987 -0.00008 -0.07944 148 7D+2 -0.21558 0.18295 0.01780 0.11761 0.07475 149 7D-2 -0.10348 -0.17811 -0.07861 -0.04471 -0.09402 150 8D 0 0.09250 0.01893 0.02507 -0.01424 -0.00284 151 8D+1 -0.03023 -0.05095 -0.04130 -0.06205 -0.06237 152 8D-1 0.04514 -0.04488 0.00359 -0.00012 -0.02734 153 8D+2 -0.06930 0.05848 0.00551 0.03723 0.02310 154 8D-2 -0.03351 -0.05692 -0.02582 -0.01405 -0.03129 155 8 Cu 1S 0.00001 -0.00023 -0.00073 0.00008 0.00066 156 2S 0.00053 0.00564 0.04947 0.02399 -0.02087 157 3S 0.00169 -0.00207 0.03791 0.03674 0.02240 158 4PX -0.00006 -0.00096 -0.00150 0.00202 0.00166 159 4PY -0.00040 0.00319 -0.00992 -0.00548 0.00298 160 4PZ -0.00026 0.00389 0.00769 0.00741 0.00165 161 5PX 0.00004 0.00284 -0.00751 -0.01723 -0.00109 162 5PY 0.00203 -0.02303 0.03855 0.02594 -0.00786 163 5PZ 0.00073 -0.02037 -0.02549 -0.03796 -0.01803 164 6PX 0.00003 0.00437 0.01054 -0.00561 -0.01248 165 6PY -0.00509 -0.01259 0.01480 0.01114 0.03756 166 6PZ -0.00541 -0.01009 -0.00842 -0.01711 0.00752 167 7D 0 0.06731 -0.22342 -0.05713 -0.19874 -0.20356 168 7D+1 0.22292 0.11885 0.14542 0.15039 -0.02241 169 7D-1 -0.01105 0.05340 0.29186 0.10742 0.06885 170 7D+2 0.05792 -0.13966 0.25563 0.17279 -0.14117 171 7D-2 0.20097 0.10536 -0.21731 -0.09441 0.03683 172 8D 0 0.01983 -0.07429 -0.01948 -0.06552 -0.06690 173 8D+1 0.07413 0.04004 0.04806 0.05011 -0.00697 174 8D-1 -0.00354 0.01797 0.09653 0.03455 0.02170 175 8D+2 0.01777 -0.04577 0.08565 0.05661 -0.04754 176 8D-2 0.06696 0.03553 -0.07227 -0.03111 0.01218 177 9 C 1S 0.00000 -0.00565 0.00733 0.02358 -0.00019 178 2S 0.00000 0.01231 -0.01601 -0.05153 0.00046 179 3S -0.00002 0.02799 -0.03617 -0.11644 0.00072 180 4PX -0.00019 -0.00864 -0.00075 0.02494 0.00599 181 4PY -0.00001 0.00474 -0.01521 -0.04857 0.01045 182 4PZ 0.00010 -0.01570 0.01696 0.04012 0.00732 183 5PX -0.00006 0.00048 -0.00189 -0.00324 0.00600 184 5PY -0.00002 -0.00228 0.00203 0.00660 0.01009 185 5PZ 0.00004 0.00097 -0.00167 -0.00674 0.00752 186 10 O 1S 0.00000 0.00130 -0.00168 -0.00539 0.00004 187 2S 0.00000 -0.00328 0.00425 0.01367 -0.00012 188 3S -0.00001 -0.00785 0.01014 0.03255 -0.00005 189 4PX 0.00032 0.00848 0.00622 -0.01928 -0.00858 190 4PY 0.00002 0.00116 0.01147 0.03630 -0.01445 191 4PZ -0.00015 0.01531 -0.01492 -0.02720 -0.01064 192 5PX 0.00019 0.00386 0.00438 -0.00732 -0.00600 193 5PY 0.00002 0.00215 0.00427 0.01339 -0.00989 194 5PZ -0.00009 0.00693 -0.00628 -0.00887 -0.00750 76 77 78 79 80 O O O O O EIGENVALUES -- -0.24843 -0.24811 -0.24647 -0.24332 -0.24330 1 1 Cu 1S 0.00010 0.00071 0.00000 -0.00026 -0.00033 2 2S -0.00303 0.00192 0.00009 0.01469 0.01864 3 3S 0.00311 0.00576 -0.00024 0.00081 0.00107 4 4PX -0.00318 -0.00091 0.00870 0.00220 0.00021 5 4PY 0.00041 -0.00314 -0.00155 -0.00319 -0.00363 6 4PZ 0.00199 -0.00049 -0.00624 0.00114 0.00332 7 5PX 0.01645 0.00279 -0.03898 -0.00695 0.00001 8 5PY -0.00261 0.01421 0.00693 0.01230 0.01412 9 5PZ -0.01277 0.00033 0.02807 -0.00343 -0.01076 10 6PX -0.02877 0.00000 -0.01386 -0.01940 0.01296 11 6PY 0.00790 -0.00009 0.00233 0.02608 0.02654 12 6PZ 0.01807 0.00007 0.01005 0.00601 -0.01935 13 7D 0 -0.21990 -0.01965 0.29494 -0.04425 -0.04034 14 7D+1 0.09091 0.06180 -0.11067 -0.00914 -0.03645 15 7D-1 0.03221 0.05342 0.06435 0.10308 0.02853 16 7D+2 0.10625 -0.04948 -0.18154 -0.04796 -0.01860 17 7D-2 -0.10098 0.06583 0.00001 -0.02308 0.11415 18 8D 0 -0.07274 -0.00629 0.09726 -0.01476 -0.01298 19 8D+1 0.03016 0.02026 -0.03643 -0.00297 -0.01191 20 8D-1 0.01032 0.01743 0.02164 0.03343 0.01026 21 8D+2 0.03530 -0.01600 -0.06007 -0.01512 -0.00630 22 8D-2 -0.03326 0.02144 -0.00055 -0.00657 0.03701 23 2 Cu 1S -0.00043 -0.00091 0.00000 0.00223 -0.00032 24 2S -0.03022 0.02329 -0.00017 0.03979 -0.00561 25 3S -0.04842 -0.07748 -0.00018 0.09022 -0.01262 26 4PX 0.00664 -0.00018 -0.00005 0.00170 -0.00040 27 4PY -0.00490 -0.00235 -0.00345 -0.00985 -0.00418 28 4PZ 0.00065 0.00227 -0.00350 0.00783 -0.00694 29 5PX -0.02507 0.02193 0.00048 -0.02553 0.00390 30 5PY 0.02352 0.00463 0.02489 0.04629 0.00422 31 5PZ -0.00433 -0.00517 0.02552 -0.04070 0.01705 32 6PX 0.02093 0.00520 0.00057 0.01460 -0.00297 33 6PY 0.01555 0.00737 0.01461 -0.01927 -0.03139 34 6PZ 0.04599 -0.00780 0.01552 0.00853 -0.03650 35 7D 0 0.12371 -0.07274 -0.18630 0.00231 -0.03679 36 7D+1 0.14537 0.03736 -0.20710 -0.21561 0.12705 37 7D-1 0.13096 0.05682 0.01543 0.21049 -0.03104 38 7D+2 -0.08347 0.12718 -0.11931 0.01594 -0.01812 39 7D-2 -0.00692 -0.04576 -0.19239 0.25762 0.05688 40 8D 0 0.03881 -0.02189 -0.05987 0.00035 -0.01135 41 8D+1 0.04681 0.01256 -0.06537 -0.06834 0.04069 42 8D-1 0.04023 0.01674 0.00492 0.06544 -0.00967 43 8D+2 -0.02799 0.03816 -0.03828 0.00570 -0.00566 44 8D-2 -0.00377 -0.01515 -0.06071 0.08171 0.01842 45 3 Cu 1S 0.00000 -0.00066 0.00000 0.00001 0.00000 46 2S -0.00026 0.07256 0.00003 0.00013 -0.00003 47 3S -0.00046 0.17221 0.00006 0.00039 -0.00022 48 4PX -0.00347 -0.00556 -0.00001 0.00772 -0.00094 49 4PY 0.00037 0.01101 0.00002 0.00275 0.00540 50 4PZ 0.00230 -0.01042 0.00001 -0.00123 0.00624 51 5PX 0.01813 0.02960 -0.00001 -0.05380 0.00650 52 5PY -0.00196 -0.05862 -0.00006 -0.01911 -0.03758 53 5PZ -0.01199 0.05543 -0.00003 0.00849 -0.04342 54 6PX 0.04047 0.01826 0.00019 -0.00130 0.00025 55 6PY -0.00457 -0.03584 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-0.06094 -0.04330 154 8D-2 0.06104 0.01940 0.08893 -0.04467 -0.01708 155 8 Cu 1S -0.00131 0.00069 0.00000 0.00043 -0.00005 156 2S 0.04178 0.00226 0.00034 -0.02332 0.00322 157 3S -0.04477 0.00508 0.00021 -0.00133 0.00024 158 4PX -0.00317 0.00326 0.00018 -0.00301 0.00048 159 4PY -0.00024 -0.00036 0.00747 0.00396 0.00086 160 4PZ 0.00250 0.00021 0.00783 -0.00334 0.00197 161 5PX 0.00150 -0.01398 -0.00089 0.01276 -0.00198 162 5PY -0.01649 0.00300 -0.03364 -0.01348 -0.00300 163 5PZ 0.00331 -0.00228 -0.03521 0.01127 -0.00676 164 6PX 0.02657 0.00035 -0.00014 0.02963 -0.00472 165 6PY -0.02138 -0.00058 -0.01178 -0.02060 -0.01732 166 6PZ 0.04138 0.00035 -0.01195 0.01328 -0.02302 167 7D 0 -0.13237 -0.05110 -0.28496 0.06180 0.02770 168 7D+1 0.04783 -0.03382 0.12700 0.02620 0.07358 169 7D-1 -0.11428 -0.03726 0.00985 -0.07082 0.00581 170 7D+2 -0.02868 0.09028 -0.15679 -0.10094 0.04003 171 7D-2 -0.05094 0.02883 0.12921 -0.00270 0.07272 172 8D 0 -0.04466 -0.01660 -0.09380 0.02034 0.00907 173 8D+1 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0.03604 0.06181 0.05277 -0.04125 -0.00058 18 8D 0 -0.00461 -0.03201 -0.01460 0.00202 0.01359 19 8D+1 0.00540 0.00860 -0.01811 0.00456 0.00054 20 8D-1 0.01276 -0.02466 0.02308 0.00353 -0.00629 21 8D+2 0.00641 0.02689 -0.00458 0.00922 0.01474 22 8D-2 0.01417 0.01945 0.01642 -0.01309 -0.00158 23 2 Cu 1S -0.00066 -0.00084 0.00087 0.00256 -0.00491 24 2S 0.12662 0.16433 0.05570 0.07440 -0.14542 25 3S -0.05439 -0.06848 0.05655 0.01777 -0.03156 26 4PX -0.01206 -0.01371 0.03098 -0.00326 0.00650 27 4PY -0.02405 0.02863 -0.03445 0.00784 0.02422 28 4PZ -0.03464 0.01784 0.03198 0.02494 -0.00698 29 5PX 0.04028 0.04745 -0.07740 0.02814 -0.05506 30 5PY 0.06326 -0.05984 0.07803 -0.01932 -0.07588 31 5PZ 0.07561 -0.05019 -0.07222 -0.07491 0.02681 32 6PX 0.03826 0.04793 0.00029 0.02731 -0.04211 33 6PY 0.02411 -0.00336 0.00523 0.12616 0.01324 34 6PZ 0.00951 -0.02339 -0.00466 0.08500 0.09924 35 7D 0 -0.18183 0.06843 0.06737 -0.03093 -0.00815 36 7D+1 -0.00546 -0.06056 -0.07909 -0.02920 -0.02072 37 7D-1 -0.01812 -0.03596 -0.00146 -0.01306 0.02809 38 7D+2 -0.02250 0.14153 -0.11295 -0.01336 -0.01699 39 7D-2 0.05746 0.01465 0.08895 -0.03222 -0.00864 40 8D 0 -0.06105 0.02201 0.02274 -0.01019 -0.00248 41 8D+1 -0.00158 -0.02320 -0.02597 -0.00836 -0.00606 42 8D-1 -0.00552 -0.01123 -0.00312 -0.00426 0.00916 43 8D+2 -0.00624 0.04848 -0.03838 -0.00410 -0.00584 44 8D-2 0.02204 0.00547 0.02922 -0.00932 -0.00229 45 3 Cu 1S 0.00000 0.00000 0.00043 -0.00003 -0.00002 46 2S -0.00111 0.00080 0.38310 -0.00138 -0.00087 47 3S -0.00040 0.00041 0.10046 -0.00148 -0.00060 48 4PX -0.01086 -0.01345 -0.00443 -0.01384 0.02860 49 4PY -0.01277 0.00440 0.00881 0.01724 0.01770 50 4PZ -0.00764 0.01175 -0.00841 0.02566 0.00355 51 5PX 0.03293 0.04070 -0.00592 0.05161 -0.10613 52 5PY 0.03855 -0.01327 0.01177 -0.06443 -0.06600 53 5PZ 0.02324 -0.03557 -0.01089 -0.09504 -0.01296 54 6PX 0.00252 0.00295 -0.01471 0.01792 -0.03803 55 6PY 0.00276 -0.00090 0.02943 -0.02321 -0.02411 56 6PZ 0.00186 -0.00270 -0.02728 -0.03318 -0.00487 57 7D 0 -0.08490 0.11026 0.00330 0.06556 0.00376 58 7D+1 -0.12242 -0.03732 0.01155 -0.00956 0.02869 59 7D-1 -0.04262 -0.06896 -0.02316 -0.00807 0.00795 60 7D+2 -0.10304 0.00058 -0.00928 0.01053 0.05564 61 7D-2 0.01517 0.12753 -0.01247 0.01706 -0.02893 62 8D 0 -0.02814 0.03734 0.00196 0.01894 0.00118 63 8D+1 -0.03946 -0.01269 0.00643 -0.00260 0.00857 64 8D-1 -0.01356 -0.02215 -0.01289 -0.00244 0.00251 65 8D+2 -0.03495 -0.00049 -0.00515 0.00313 0.01597 66 8D-2 0.00565 0.04133 -0.00690 0.00523 -0.00839 67 4 Cu 1S -0.00041 0.00097 0.00086 -0.00547 0.00031 68 2S 0.07805 -0.19170 0.05658 -0.16339 0.00845 69 3S -0.03363 0.08018 0.05681 -0.03235 0.00290 70 4PX -0.04015 -0.01694 0.01288 -0.01298 0.02242 71 4PY -0.02514 -0.01530 -0.03123 0.02237 0.01312 72 4PZ -0.01499 0.01631 0.04509 -0.00199 0.00371 73 5PX 0.09016 0.05170 -0.02682 0.05491 -0.06537 74 5PY 0.06555 0.02180 0.06900 -0.08190 -0.03695 75 5PZ 0.04022 -0.05012 -0.10871 -0.02845 -0.00876 76 6PX 0.01315 0.03451 -0.00315 0.05596 0.13856 77 6PY 0.02623 -0.01920 0.00531 -0.05812 0.09912 78 6PZ 0.02324 -0.04478 -0.00134 -0.02303 0.02655 79 7D 0 0.01442 -0.05311 -0.16983 -0.01703 -0.01327 80 7D+1 -0.06719 0.05651 0.02493 -0.00144 -0.04762 81 7D-1 0.03664 -0.06277 0.03334 0.01122 -0.02953 82 7D+2 -0.18702 -0.06218 -0.00966 0.01045 -0.01387 83 7D-2 0.05271 0.09780 -0.02800 0.02408 0.01230 84 8D 0 0.00533 -0.01721 -0.05667 -0.00584 -0.00387 85 8D+1 -0.02125 0.02156 0.00901 -0.00013 -0.01420 86 8D-1 0.01482 -0.02325 0.00952 0.00348 -0.00860 87 8D+2 -0.06298 -0.02138 -0.00428 0.00336 -0.00518 88 8D-2 0.01729 0.03313 -0.01126 0.00796 0.00403 89 5 Cu 1S -0.00001 0.00000 0.00082 -0.00014 -0.00008 90 2S 0.00117 -0.00097 -0.15773 -0.00276 -0.00183 91 3S -0.00090 0.00058 0.06134 0.00359 0.00178 92 4PX -0.03235 -0.04004 -0.01273 0.02203 -0.04577 93 4PY -0.03797 0.01301 0.02514 -0.02746 -0.02835 94 4PZ -0.02281 0.03509 -0.02389 -0.04096 -0.00567 95 5PX 0.09072 0.11184 0.03762 -0.09878 0.20546 96 5PY 0.10608 -0.03622 -0.07448 0.12300 0.12702 97 5PZ 0.06403 -0.09815 0.07048 0.18406 0.02560 98 6PX -0.04021 -0.04923 0.00398 0.07955 -0.17506 99 6PY -0.04702 0.01596 -0.00923 -0.10361 -0.11083 100 6PZ -0.02832 0.04303 0.00578 -0.15177 -0.02385 101 7D 0 0.03041 -0.08260 -0.02166 -0.16233 -0.02679 102 7D+1 -0.01519 0.03216 -0.06915 -0.00756 -0.12455 103 7D-1 -0.01356 -0.01423 0.13715 0.04307 -0.06129 104 7D+2 0.08016 0.03646 0.05452 -0.04481 -0.12082 105 7D-2 -0.03853 0.00370 0.07324 -0.10288 0.07871 106 8D 0 0.01286 -0.02999 -0.00691 -0.03702 -0.00517 107 8D+1 0.00034 0.01140 -0.02242 -0.00004 -0.02561 108 8D-1 -0.00250 -0.00148 0.04460 0.00849 -0.01191 109 8D+2 0.02896 0.01122 0.01782 -0.00929 -0.02850 110 8D-2 -0.01253 -0.00415 0.02384 -0.02039 0.01754 111 6 Cu 1S -0.00025 0.00063 -0.00016 0.00233 -0.00007 112 2S -0.12531 0.30721 -0.14364 -0.01110 0.00149 113 3S -0.04739 0.11766 -0.08972 0.07413 -0.00348 114 4PX -0.01873 0.00024 -0.00132 0.01103 0.00094 115 4PY -0.00676 -0.01384 -0.00222 -0.02499 0.00249 116 4PZ 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-0.00801 79 7D 0 -0.00697 0.02606 -0.01765 0.00744 -0.01791 80 7D+1 -0.03072 0.07551 0.00382 -0.03028 -0.03396 81 7D-1 0.02988 0.04699 0.03688 0.06132 -0.02115 82 7D+2 -0.02206 -0.01328 0.01869 0.03802 -0.01853 83 7D-2 -0.06990 -0.01541 0.03627 0.06743 0.01364 84 8D 0 -0.00300 0.00681 -0.00594 0.00611 -0.00533 85 8D+1 -0.00722 0.01910 -0.00019 -0.00746 -0.00935 86 8D-1 0.00674 0.01190 0.01177 0.01412 -0.00586 87 8D+2 -0.00652 -0.00573 0.00481 0.01072 -0.00559 88 8D-2 -0.01962 -0.00295 0.00922 0.02030 0.00419 89 5 Cu 1S -0.00441 -0.00003 -0.00005 0.00842 -0.00005 90 2S -0.18293 -0.00067 -0.00082 0.24065 -0.00194 91 3S 0.18415 0.00164 0.00192 0.00736 -0.00061 92 4PX -0.01195 -0.01637 0.00660 0.00877 -0.01201 93 4PY 0.02431 -0.00893 -0.01049 -0.01814 -0.00895 94 4PZ -0.02228 -0.00071 -0.01442 0.01562 -0.00417 95 5PX 0.04076 0.05150 -0.02110 -0.04513 0.02827 96 5PY -0.08366 0.02800 0.03297 0.09268 0.02091 97 5PZ 0.07548 0.00194 0.04604 -0.08151 0.01000 98 6PX 0.00890 -0.07735 0.02730 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1S 0.00232 0.00395 -0.00020 -0.00307 -0.00392 2 2S 0.01865 -0.10276 0.00512 -0.01654 -0.11661 3 3S 0.05197 -0.13206 0.00631 -0.04453 -0.19137 4 4PX 0.03130 -0.03754 0.00263 0.01529 0.01273 5 4PY 0.00100 -0.03280 0.00149 -0.00392 0.01992 6 4PZ -0.04086 -0.04423 0.00170 0.02225 0.01270 7 5PX -0.11389 0.16437 0.01164 -0.08973 -0.07996 8 5PY -0.00144 0.14443 -0.01073 0.02349 -0.14479 9 5PZ 0.15517 0.19083 -0.02398 -0.13071 -0.07520 10 6PX -0.20231 0.34897 0.06628 -0.18146 0.02887 11 6PY -0.00806 0.36167 -0.03385 0.09149 -0.21253 12 6PZ 0.24442 0.38677 -0.07936 -0.27554 0.09290 13 7D 0 0.02421 0.00320 0.01051 0.02016 -0.00937 14 7D+1 0.00482 0.00143 0.00030 0.04618 0.01713 15 7D-1 -0.00095 -0.00201 0.02785 -0.00888 0.00846 16 7D+2 -0.01742 0.00117 -0.01906 0.00140 -0.02278 17 7D-2 -0.01381 -0.00485 -0.03372 -0.00121 0.01686 18 8D 0 0.00962 0.00034 0.00488 0.00550 -0.00289 19 8D+1 0.00001 -0.00103 -0.00087 0.01146 0.00157 20 8D-1 0.00091 -0.00177 0.00647 -0.00044 -0.00019 21 8D+2 -0.00542 -0.00030 -0.00559 0.00177 -0.00578 22 8D-2 -0.00387 -0.00204 -0.00697 0.00049 0.00216 23 2 Cu 1S 0.00005 0.00125 0.00212 0.00339 0.00237 24 2S 0.01600 -0.03385 -0.05182 -0.00434 0.05520 25 3S -0.01968 -0.17453 -0.27497 -0.08354 0.97527 26 4PX 0.02289 -0.00159 -0.00648 -0.05480 -0.02306 27 4PY 0.01427 0.00963 -0.04532 0.00639 -0.00095 28 4PZ 0.04680 0.04556 0.00802 -0.00332 0.00149 29 5PX -0.09165 0.05595 0.09748 0.18332 0.10681 30 5PY -0.02618 0.03876 0.15797 0.03208 -0.00742 31 5PZ -0.16512 -0.12583 -0.09722 -0.03764 0.00482 32 6PX 0.07533 0.08488 0.14653 0.24256 0.57666 33 6PY -0.01876 -0.00730 0.19165 0.03762 0.23735 34 6PZ 0.12703 -0.17605 -0.06788 -0.04718 -0.24330 35 7D 0 -0.04020 0.06831 -0.02620 -0.02521 0.00647 36 7D+1 -0.01054 -0.00070 0.02378 0.01934 0.01685 37 7D-1 -0.00303 0.00974 0.02012 -0.00781 0.02333 38 7D+2 0.01077 0.01927 -0.04274 0.04571 -0.01025 39 7D-2 -0.02858 -0.02223 -0.00774 -0.02331 -0.01643 40 8D 0 -0.01239 0.02178 -0.00766 -0.00821 0.00087 41 8D+1 -0.00301 -0.00018 0.00871 0.00483 0.00277 42 8D-1 -0.00163 0.00255 0.00549 -0.00193 0.00416 43 8D+2 0.00418 0.00529 -0.01448 0.01494 -0.00130 44 8D-2 -0.00779 -0.00813 -0.00292 -0.00608 -0.00270 45 3 Cu 1S -0.00025 -0.00005 -0.00004 0.00331 -0.00133 46 2S -0.00379 0.00367 -0.00005 -0.12188 -0.09195 47 3S -0.00616 0.00226 -0.00047 -0.08488 -0.00960 48 4PX -0.03261 -0.01398 -0.02027 0.01747 0.00022 49 4PY 0.02428 -0.01754 0.00485 -0.03636 -0.00022 50 4PZ 0.04108 -0.01288 0.01548 0.03321 0.00049 51 5PX 0.11619 0.06648 0.09746 -0.05752 0.01707 52 5PY -0.08735 0.08605 -0.02322 0.12191 -0.03478 53 5PZ -0.14414 0.06044 -0.07459 -0.11004 0.03169 54 6PX 0.18188 0.15904 0.23110 -0.15303 -0.07088 55 6PY -0.13465 0.20267 -0.05435 0.32264 0.13793 56 6PZ -0.23126 0.14479 -0.17699 -0.29207 -0.13515 57 7D 0 0.03490 0.01159 0.00058 0.00431 0.00172 58 7D+1 -0.00003 0.03701 0.00200 0.01350 0.00546 59 7D-1 -0.01741 0.01498 0.02409 -0.02448 -0.01100 60 7D+2 0.00832 0.00062 -0.01283 -0.00990 -0.00435 61 7D-2 0.03587 0.01284 -0.03387 -0.01295 -0.00587 62 8D 0 0.01454 0.00257 -0.00010 0.00095 0.00051 63 8D+1 -0.00154 0.00779 0.00051 0.00312 0.00155 64 8D-1 -0.00490 0.00318 0.00507 -0.00570 -0.00311 65 8D+2 0.00189 0.00037 -0.00260 -0.00231 -0.00120 66 8D-2 0.01040 0.00264 -0.00718 -0.00302 -0.00167 67 4 Cu 1S 0.00021 0.00103 -0.00223 0.00338 0.00236 68 2S -0.02092 -0.02823 0.05515 -0.00420 0.05532 69 3S 0.03793 -0.14521 0.29176 -0.08283 0.97767 70 4PX -0.01116 0.04484 -0.00360 0.01439 0.00787 71 4PY 0.01561 0.00609 0.04565 -0.00564 -0.00638 72 4PZ -0.04647 0.01163 -0.00495 -0.05304 -0.02087 73 5PX 0.04558 -0.11521 0.09519 -0.08090 -0.02827 74 5PY -0.07685 0.05089 -0.19580 0.07825 0.01608 75 5PZ 0.19319 0.00051 -0.03355 0.15189 0.10261 76 6PX -0.05394 -0.18175 0.08217 -0.10520 -0.34087 77 6PY 0.09967 0.01897 -0.23145 0.09706 0.39961 78 6PZ -0.16845 0.01206 -0.08358 0.20388 0.41625 79 7D 0 -0.05160 -0.00334 0.00912 0.05879 0.00156 80 7D+1 0.02235 0.02380 -0.01297 -0.01498 0.01274 81 7D-1 0.00124 -0.01323 0.01625 -0.00465 -0.01172 82 7D+2 0.00119 0.07144 0.02684 0.00182 0.00942 83 7D-2 -0.00069 -0.01482 -0.04322 -0.00293 0.02916 84 8D 0 -0.01662 -0.00132 0.00297 0.01795 0.00055 85 8D+1 0.00753 0.00746 -0.00552 -0.00567 0.00188 86 8D-1 -0.00014 -0.00549 0.00651 0.00013 -0.00166 87 8D+2 0.00085 0.02251 0.00893 0.00077 0.00170 88 8D-2 0.00127 -0.00467 -0.01347 -0.00116 0.00499 89 5 Cu 1S -0.00008 -0.00007 0.00003 0.00051 -0.00159 90 2S -0.00300 -0.00231 0.00009 0.06574 -0.02311 91 3S -0.00107 -0.01181 0.00044 0.45166 -0.60691 92 4PX 0.00846 0.02438 0.03574 0.00061 0.00443 93 4PY -0.00569 0.03249 -0.00810 0.00102 -0.00861 94 4PZ -0.01200 0.02178 -0.02786 0.00037 0.00831 95 5PX -0.01986 -0.04667 -0.06853 -0.02827 -0.03456 96 5PY 0.01329 -0.06278 0.01499 0.05291 0.06793 97 5PZ 0.02866 -0.04174 0.05448 -0.05157 -0.06417 98 6PX 0.09717 0.04112 0.05705 -0.10113 0.39836 99 6PY -0.07070 0.04490 -0.01305 0.20423 -0.78932 100 6PZ -0.12452 0.04076 -0.04517 -0.19224 0.74753 101 7D 0 0.04676 -0.05186 0.07613 -0.00331 0.00452 102 7D+1 0.00426 -0.03342 -0.03197 -0.00748 0.01419 103 7D-1 -0.02980 -0.00737 -0.01858 0.01276 -0.02757 104 7D+2 0.01741 -0.07518 -0.02413 0.00306 -0.01091 105 7D-2 0.06541 0.02036 0.04619 0.00762 -0.01449 106 8D 0 0.00564 -0.01462 0.02169 0.00009 0.00020 107 8D+1 0.00234 -0.00907 -0.00907 0.00108 0.00053 108 8D-1 -0.00638 -0.00167 -0.00495 -0.00274 -0.00088 109 8D+2 0.00430 -0.02128 -0.00706 -0.00166 -0.00032 110 8D-2 0.01412 0.00608 0.01265 -0.00123 -0.00039 111 6 Cu 1S -0.00592 -0.00167 0.00345 -0.00315 -0.00394 112 2S -0.05099 0.04796 -0.09279 -0.01213 -0.11646 113 3S -0.13962 0.06157 -0.11801 -0.03830 -0.18719 114 4PX 0.02535 0.01635 -0.03088 0.01612 0.01169 115 4PY -0.03124 -0.01856 0.03895 -0.02436 -0.01208 116 4PZ 0.02212 -0.01615 0.03172 0.00140 -0.02115 117 5PX -0.10089 -0.04880 0.14405 -0.09184 -0.07386 118 5PY 0.12467 0.09280 -0.16033 0.14105 0.07110 119 5PZ -0.07656 0.07450 -0.13725 -0.01024 0.15217 120 6PX -0.14184 -0.06495 0.32332 -0.18661 0.03163 121 6PY 0.17115 0.21310 -0.30949 0.29895 -0.10231 122 6PZ -0.13903 0.19221 -0.34142 -0.06127 0.21524 123 7D 0 0.00464 0.01234 0.00158 -0.01140 0.02569 124 7D+1 -0.01403 0.03060 0.01854 -0.00020 -0.01619 125 7D-1 0.03130 0.02496 0.00946 -0.00559 0.00804 126 7D+2 0.01380 -0.01368 -0.00933 -0.01999 -0.00415 127 7D-2 0.02954 0.00258 -0.00258 -0.04534 -0.01596 128 8D 0 0.00402 0.00252 0.00080 -0.00412 0.00647 129 8D+1 -0.00373 0.00611 0.00481 -0.00095 -0.00198 130 8D-1 0.00703 0.00639 0.00103 0.00056 -0.00047 131 8D+2 0.00277 -0.00564 -0.00316 -0.00469 -0.00050 132 8D-2 0.00740 0.00114 0.00097 -0.01119 -0.00151 133 7 Cu 1S 0.00007 -0.00265 0.00014 0.00330 0.00237 134 2S 0.01076 0.06146 -0.00293 -0.00176 0.05515 135 3S -0.01150 0.32658 -0.01717 -0.06558 0.97337 136 4PX -0.03910 -0.02324 0.03907 0.01427 0.00869 137 4PY -0.01078 0.00960 -0.00738 0.05314 0.02013 138 4PZ 0.03724 -0.03884 -0.02509 0.00650 0.00715 139 5PX 0.11976 0.14366 -0.06775 -0.07972 -0.03225 140 5PY 0.05111 0.02416 0.00983 -0.14694 -0.09943 141 5PZ -0.12695 0.20050 0.03275 -0.07431 -0.02029 142 6PX -0.05922 0.16292 -0.13405 -0.10513 -0.36088 143 6PY -0.05502 0.07763 0.01922 -0.19119 -0.39056 144 6PZ 0.09165 0.22094 0.07837 -0.09825 -0.40575 145 7D 0 -0.02833 -0.00030 -0.06845 -0.02950 -0.00852 146 7D+1 0.01385 0.03442 0.02635 0.00420 -0.03070 147 7D-1 0.02178 0.01918 -0.00245 -0.00026 -0.00974 148 7D+2 -0.01812 -0.00613 0.03610 -0.05019 0.00146 149 7D-2 -0.02699 0.02062 -0.01933 0.01871 -0.01182 150 8D 0 -0.00854 -0.00047 -0.02168 -0.00906 -0.00169 151 8D+1 0.00463 0.01070 0.00828 0.00168 -0.00529 152 8D-1 0.00632 0.00778 -0.00141 0.00153 -0.00128 153 8D+2 -0.00551 -0.00182 0.01171 -0.01507 0.00003 154 8D-2 -0.00705 0.00778 -0.00547 0.00687 -0.00165 155 8 Cu 1S 0.00368 -0.00201 -0.00325 -0.00320 -0.00392 156 2S 0.03030 0.05725 0.08692 -0.01172 -0.11647 157 3S 0.08406 0.07385 0.11144 -0.03759 -0.18886 158 4PX -0.00340 -0.02884 -0.04455 -0.00931 -0.02575 159 4PY -0.00927 -0.01388 -0.02363 -0.02001 -0.00550 160 4PZ -0.04882 0.01522 0.02291 0.01960 0.00585 161 5PX 0.00684 0.12570 0.19423 0.05106 0.17843 162 5PY 0.03138 0.07502 0.09033 0.11638 0.02653 163 5PZ 0.18480 -0.04692 -0.10944 -0.11258 -0.02974 164 6PX 0.03123 0.29403 0.45368 0.06946 0.16539 165 6PY 0.06922 0.17497 0.14849 0.25493 -0.12658 166 6PZ 0.29280 -0.05555 -0.23223 -0.24427 0.11794 167 7D 0 0.01773 -0.00088 -0.00250 0.00166 -0.01674 168 7D+1 -0.00861 0.03017 -0.01921 -0.01309 -0.00238 169 7D-1 -0.02579 0.00272 0.00404 -0.04684 -0.01364 170 7D+2 -0.00240 0.00442 0.00280 -0.00627 0.02801 171 7D-2 -0.01815 0.02758 -0.01852 0.01419 0.00059 172 8D 0 0.00753 -0.00250 0.00056 0.00038 -0.00313 173 8D+1 -0.00431 0.00660 -0.00577 -0.00483 0.00172 174 8D-1 -0.00607 0.00045 0.00045 -0.01062 -0.00210 175 8D+2 -0.00029 0.00010 0.00193 -0.00147 0.00516 176 8D-2 -0.00500 0.00742 -0.00335 0.00520 -0.00218 177 9 C 1S -0.00071 0.00042 -0.00006 -0.01280 0.01449 178 2S 0.00197 -0.00151 0.00017 0.04523 -0.05741 179 3S 0.00369 -0.00237 0.00006 0.09185 -0.09437 180 4PX 0.19511 0.06753 0.09688 -0.01514 0.02435 181 4PY -0.13871 0.08678 -0.02131 0.03797 -0.04994 182 4PZ -0.26110 0.06097 -0.07619 -0.02867 0.04244 183 5PX 0.12283 0.05205 0.07534 -0.01377 -0.01279 184 5PY -0.08725 0.06763 -0.01697 0.03317 0.02491 185 5PZ -0.16455 0.04693 -0.05885 -0.02610 -0.02559 186 10 O 1S -0.00008 0.00035 0.00007 -0.01411 0.02529 187 2S 0.00014 -0.00094 -0.00018 0.03816 -0.07342 188 3S 0.00078 -0.00213 -0.00043 0.08692 -0.12502 189 4PX -0.10756 -0.04685 -0.06802 0.00169 -0.00889 190 4PY 0.07653 -0.06134 0.01507 -0.00863 0.01818 191 4PZ 0.14374 -0.04216 0.05356 0.00366 -0.01564 192 5PX -0.09146 -0.03515 -0.05069 0.00599 -0.01540 193 5PY 0.06513 -0.04553 0.01121 -0.01589 0.03146 194 5PZ 0.12214 -0.03171 0.03987 0.01146 -0.02735 96 97 98 99 100 V V V V V EIGENVALUES -- 0.02283 0.02815 0.02821 0.03040 0.03891 1 1 Cu 1S 0.00000 -0.00144 -0.00037 0.00150 -0.00183 2 2S 0.00003 -0.03384 -0.00941 -0.06316 -0.07835 3 3S 0.00023 -0.28578 -0.08391 -0.72496 -0.79194 4 4PX 0.04641 0.00846 0.01619 0.00477 -0.00114 5 4PY -0.00821 -0.04759 -0.01585 -0.00330 0.02394 6 4PZ -0.03339 0.03118 -0.00099 0.00766 -0.00762 7 5PX -0.21407 -0.02537 -0.07926 0.02756 0.00769 8 5PY 0.03789 0.23518 0.07987 0.09320 -0.06109 9 5PZ 0.15404 -0.13378 0.01468 0.01418 0.02736 10 6PX -0.69883 -0.10677 -0.28762 0.47683 0.28710 11 6PY 0.12430 1.09359 0.36089 0.68306 -0.18209 12 6PZ 0.50181 -0.56167 0.03296 0.48788 0.45430 13 7D 0 -0.00703 0.02164 -0.01234 0.00111 0.01215 14 7D+1 -0.00032 0.01654 0.01117 -0.04156 0.01817 15 7D-1 -0.01825 -0.01616 -0.00724 -0.02998 -0.00759 16 7D+2 0.01256 0.00774 0.01263 0.01589 0.00746 17 7D-2 0.02254 -0.01325 -0.00628 -0.03345 -0.00639 18 8D 0 0.00242 0.00105 -0.00276 -0.00027 0.00484 19 8D+1 -0.00129 0.00039 0.00119 -0.01196 0.00371 20 8D-1 -0.00165 -0.00253 -0.00083 -0.00882 -0.00249 21 8D+2 -0.00042 -0.00127 0.00118 0.00362 0.00506 22 8D-2 0.00293 -0.00125 -0.00130 -0.00941 -0.00326 23 2 Cu 1S 0.00001 -0.00129 0.00116 -0.00304 0.00132 24 2S 0.00003 -0.03303 0.03352 0.02265 -0.04495 25 3S -0.00001 -0.33618 0.35317 0.85857 -0.42234 26 4PX 0.00058 -0.00747 0.00783 0.03980 -0.00846 27 4PY 0.02026 0.00657 -0.01964 0.01746 -0.00794 28 4PZ 0.02118 -0.02007 0.00430 -0.01741 0.00723 29 5PX -0.00274 0.05857 -0.05992 -0.16271 0.07985 30 5PY -0.09984 -0.01026 0.10259 -0.07496 0.01580 31 5PZ -0.10432 0.10319 0.00127 0.07352 -0.01176 32 6PX -0.00265 0.09394 -0.10250 0.05856 0.75489 33 6PY -0.08507 -0.29189 0.16182 0.07378 0.14718 34 6PZ -0.08850 0.16068 -0.27690 -0.07045 -0.17998 35 7D 0 0.00324 0.01294 -0.00008 0.00542 0.01021 36 7D+1 0.05338 -0.00721 -0.01629 0.03099 -0.01421 37 7D-1 -0.00147 -0.04340 0.04189 0.01017 0.05600 38 7D+2 0.00472 -0.01225 0.01833 -0.01075 -0.01138 39 7D-2 0.05115 -0.01729 -0.00771 -0.03086 0.01669 40 8D 0 -0.00107 0.00482 -0.00019 0.00289 0.00212 41 8D+1 0.01308 -0.00195 -0.00390 0.00931 -0.00614 42 8D-1 -0.00027 -0.01021 0.00980 0.00504 0.01523 43 8D+2 0.00009 -0.00418 0.00643 -0.00523 -0.00183 44 8D-2 0.01258 -0.00412 -0.00230 -0.00913 0.00675 45 3 Cu 1S 0.00000 0.00003 0.00005 0.00062 -0.00212 46 2S 0.00009 -0.00143 -0.00201 -0.07590 0.14211 47 3S 0.00031 -0.01530 -0.01985 -0.68180 1.67924 48 4PX -0.00009 0.03488 -0.03269 -0.00539 0.00000 49 4PY 0.00001 0.03312 0.01665 0.01061 0.00009 50 4PZ 0.00007 0.01670 0.03523 -0.01091 0.00023 51 5PX 0.00042 -0.14757 0.13702 0.00274 0.03954 52 5PY -0.00004 -0.13845 -0.06868 -0.00499 -0.07893 53 5PZ -0.00030 -0.07136 -0.14964 0.00822 0.07427 54 6PX 0.00225 -0.33175 0.30153 -0.24381 0.37915 55 6PY -0.00014 -0.30274 -0.14430 0.48709 -0.73268 56 6PZ -0.00073 -0.16444 -0.34247 -0.45044 0.72185 57 7D 0 -0.00002 -0.00561 0.01080 -0.00660 0.00567 58 7D+1 0.00000 -0.02819 -0.00968 -0.01943 0.01335 59 7D-1 0.00001 -0.01520 0.01705 0.03930 -0.02763 60 7D+2 0.00001 0.01422 -0.01215 0.01557 -0.01037 61 7D-2 -0.00008 -0.00844 -0.02604 0.02140 -0.01528 62 8D 0 0.00000 0.00072 0.00622 -0.00234 0.00228 63 8D+1 0.00000 -0.00299 -0.00299 -0.00681 0.00604 64 8D-1 -0.00001 -0.00201 0.00231 0.01368 -0.01225 65 8D+2 0.00000 0.00649 -0.00243 0.00538 -0.00473 66 8D-2 -0.00001 -0.00294 -0.00242 0.00735 -0.00659 67 4 Cu 1S 0.00000 -0.00047 -0.00174 -0.00301 0.00123 68 2S -0.00004 -0.01131 -0.04506 0.02396 -0.04829 69 3S -0.00104 -0.11279 -0.45755 0.87203 -0.46550 70 4PX -0.02409 -0.01402 -0.00609 -0.02379 0.00724 71 4PY -0.01608 -0.00270 0.02026 0.02827 -0.01009 72 4PZ -0.00425 -0.00651 -0.01735 0.02852 -0.00403 73 5PX 0.11887 0.08587 0.00667 0.09946 -0.03226 74 5PY 0.07929 0.03327 -0.08288 -0.11919 0.03329 75 5PZ 0.02085 0.04094 0.10623 -0.11614 0.06897 76 6PX 0.10028 -0.05124 0.19090 -0.06937 -0.34173 77 6PY 0.06591 -0.14888 -0.30182 0.10014 0.33625 78 6PZ 0.01719 0.04978 0.27080 0.01778 0.61482 79 7D 0 -0.01754 -0.00603 -0.00573 0.01428 -0.02912 80 7D+1 -0.05490 -0.00893 0.02087 0.01988 -0.00277 81 7D-1 -0.04043 -0.02144 -0.03269 -0.02928 0.02973 82 7D+2 0.02320 0.01058 -0.02838 0.00508 0.02109 83 7D-2 0.00119 -0.01527 -0.04197 0.02611 0.04048 84 8D 0 -0.00413 -0.00198 -0.00365 0.00226 -0.00861 85 8D+1 -0.01271 -0.00160 0.00618 0.00700 -0.00246 86 8D-1 -0.00976 -0.00540 -0.00848 -0.00886 0.01060 87 8D+2 0.00749 0.00364 -0.00709 0.00221 0.00572 88 8D-2 -0.00057 -0.00399 -0.00946 0.00968 0.00979 89 5 Cu 1S 0.00000 -0.00009 -0.00011 0.00021 0.00616 90 2S -0.00005 -0.00086 -0.00099 0.09057 0.16795 91 3S -0.00117 0.00729 0.01216 2.21748 2.06803 92 4PX -0.00006 0.01391 -0.01244 0.00853 -0.00201 93 4PY 0.00001 0.01269 0.00599 -0.01692 0.00358 94 4PZ 0.00002 0.00693 0.01415 0.01592 -0.00419 95 5PX 0.00048 -0.03422 0.02999 -0.02524 0.02364 96 5PY 0.00000 -0.03097 -0.01442 0.04929 -0.04370 97 5PZ -0.00018 -0.01725 -0.03437 -0.04858 0.04672 98 6PX 0.00160 0.15801 -0.14930 0.02528 -0.72373 99 6PY 0.00020 0.14534 0.07186 -0.05609 1.45986 100 6PZ -0.00060 0.07999 0.17374 0.03858 -1.33214 101 7D 0 -0.00017 -0.00038 -0.03449 -0.00876 0.00439 102 7D+1 0.00001 0.02851 0.01725 -0.02925 0.01676 103 7D-1 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0.20624 123 7D 0 0.00763 0.00512 0.01959 -0.01871 -0.01186 124 7D+1 0.02367 -0.00376 -0.01096 0.03370 0.00413 125 7D-1 0.01760 0.00617 0.01299 -0.03144 -0.00652 126 7D+2 -0.01104 -0.01613 0.01602 0.00905 -0.00887 127 7D-2 -0.00014 0.01321 0.01798 0.03828 -0.01717 128 8D 0 0.00083 -0.00021 -0.00027 -0.00412 -0.00684 129 8D+1 0.00290 -0.00090 -0.00107 0.00948 0.00257 130 8D-1 0.00144 0.00071 0.00230 -0.00928 -0.00193 131 8D+2 0.00237 -0.00282 0.00165 0.00264 -0.00215 132 8D-2 -0.00149 0.00168 0.00072 0.01115 -0.00367 133 7 Cu 1S 0.00000 0.00166 0.00041 -0.00306 0.00138 134 2S 0.00003 0.04537 0.01328 0.02153 -0.04242 135 3S -0.00050 0.46964 0.14404 0.84880 -0.38963 136 4PX 0.02360 0.00504 0.01302 -0.02575 0.00866 137 4PY -0.00416 -0.01871 -0.00753 -0.02623 0.00332 138 4PZ -0.01693 0.01835 -0.00405 -0.02907 0.01078 139 5PX -0.11592 -0.00140 -0.08081 0.10767 -0.03852 140 5PY 0.02045 0.11126 0.04696 0.10505 -0.06333 141 5PZ 0.08324 -0.07500 0.04047 0.12181 -0.03413 142 6PX -0.09948 -0.18685 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0.12491 0.06235 0.01884 0.00866 182 4PZ 0.00031 0.06443 0.13514 -0.02053 -0.00436 183 5PX -0.00042 0.09492 -0.08802 0.01494 0.03760 184 5PY 0.00005 0.08844 0.04386 -0.03048 -0.07429 185 5PZ 0.00023 0.04649 0.09733 0.02524 0.07081 186 10 O 1S 0.00000 0.00031 0.00044 -0.00059 -0.02895 187 2S 0.00000 -0.00088 -0.00123 0.00391 0.08676 188 3S 0.00001 -0.00191 -0.00260 -0.00435 0.13789 189 4PX 0.00014 -0.04169 0.03827 0.00279 -0.00393 190 4PY 0.00000 -0.03955 -0.01949 -0.00541 0.00789 191 4PZ -0.00008 -0.02008 -0.04146 0.00590 -0.00698 192 5PX 0.00020 -0.05130 0.04744 -0.00105 0.00661 193 5PY -0.00001 -0.04809 -0.02376 0.00237 -0.01395 194 5PZ -0.00011 -0.02499 -0.05220 -0.00080 0.01163 101 102 103 104 105 V V V V V EIGENVALUES -- 0.04221 0.04223 0.04466 0.04467 0.04948 1 1 Cu 1S 0.00062 -0.00009 0.00093 -0.00054 -0.00045 2 2S 0.09527 -0.01187 -0.09498 0.05608 0.01329 3 3S 0.99989 -0.12652 -1.76442 1.04501 0.38415 4 4PX 0.00469 0.01034 0.01914 -0.00635 0.00671 5 4PY 0.01032 -0.00305 0.00359 -0.00303 -0.03345 6 4PZ 0.00121 -0.00801 0.02099 -0.01600 0.00416 7 5PX -0.07026 0.01720 -0.00971 0.02737 -0.05947 8 5PY -0.06615 0.00636 0.03660 -0.02590 0.15711 9 5PZ -0.08404 0.00395 -0.04226 0.00976 -0.05011 10 6PX -0.36777 0.90151 -0.20042 -1.19217 0.79663 11 6PY -0.58460 -0.08148 -0.16054 0.33701 -2.27646 12 6PZ -0.58286 -0.54116 0.98286 0.35352 0.72214 13 7D 0 0.01690 0.06007 -0.02558 -0.01839 -0.01877 14 7D+1 0.00713 -0.02528 -0.01177 0.02370 -0.01681 15 7D-1 0.01701 0.00371 0.01875 0.00596 0.02489 16 7D+2 0.01097 -0.03578 0.00163 0.00800 -0.02557 17 7D-2 0.00910 0.00909 -0.00776 -0.02819 0.01113 18 8D 0 0.00626 0.01542 -0.00495 0.00102 -0.00307 19 8D+1 0.00607 -0.00682 -0.00896 0.00685 -0.00096 20 8D-1 0.00608 0.00232 0.00038 0.00440 0.00511 21 8D+2 0.00374 -0.01013 -0.00200 -0.00013 -0.00524 22 8D-2 0.00340 0.00018 -0.00495 -0.00385 0.00304 23 2 Cu 1S -0.00095 -0.00122 0.00002 0.00346 0.00169 24 2S -0.13189 -0.17623 0.00007 -0.03366 0.01377 25 3S -1.79064 -2.39739 -0.00153 -0.62849 0.00173 26 4PX 0.01127 0.01520 -0.00067 -0.02027 0.00822 27 4PY -0.00527 0.01310 -0.02418 -0.00795 -0.02917 28 4PZ -0.01470 0.00164 -0.02484 0.00871 0.00246 29 5PX 0.04735 0.06264 0.00415 0.13264 -0.02187 30 5PY 0.09180 -0.00225 0.14775 0.09659 0.10591 31 5PZ 0.03036 -0.08975 0.15096 -0.09937 -0.03517 32 6PX -0.09656 -0.12139 0.03316 2.08783 -1.10638 33 6PY 0.38109 0.26066 0.97230 0.14720 2.95406 34 6PZ -0.12146 -0.43453 1.00474 -0.22524 -0.03126 35 7D 0 -0.00333 0.00089 0.02655 0.00862 0.00525 36 7D+1 -0.01848 0.01110 0.03137 0.02597 0.01942 37 7D-1 -0.00465 -0.00649 -0.00248 0.00419 -0.01762 38 7D+2 -0.00122 0.00315 0.01692 -0.01668 0.00625 39 7D-2 -0.01534 0.01412 0.02853 -0.02668 -0.01445 40 8D 0 -0.00158 0.00222 0.00766 0.00162 0.00112 41 8D+1 -0.00726 0.01000 0.01000 0.00472 0.00221 42 8D-1 -0.00226 -0.00358 -0.00072 -0.00123 -0.00360 43 8D+2 -0.00286 -0.00034 0.00491 -0.00339 0.00202 44 8D-2 -0.01130 0.00385 0.00917 -0.00497 -0.00369 45 3 Cu 1S 0.00002 -0.00003 0.00001 0.00000 -0.00001 46 2S -0.00144 0.00134 -0.00100 -0.00022 0.00135 47 3S -0.01682 0.01536 -0.01680 -0.00357 0.01965 48 4PX -0.00281 -0.00344 -0.00041 0.02544 -0.00877 49 4PY -0.00324 0.00100 -0.01850 0.00662 -0.00902 50 4PZ -0.00219 0.00314 -0.01978 -0.00660 -0.00440 51 5PX 0.05729 0.07315 0.00113 -0.09042 0.05620 52 5PY 0.06908 -0.02266 0.06593 -0.02332 0.05614 53 5PZ 0.04241 -0.06309 0.06960 0.02337 0.02886 54 6PX 0.27493 0.35231 -0.00958 0.13067 -2.13865 55 6PY 0.33959 -0.11278 -0.09355 0.03988 -2.12274 56 6PZ 0.19690 -0.29391 -0.10042 -0.02904 -1.10044 57 7D 0 0.02606 -0.05583 0.00131 0.01299 -0.02366 58 7D+1 0.00363 0.02124 -0.03273 0.01888 -0.02667 59 7D-1 -0.00310 -0.00050 0.00114 0.02888 -0.00730 60 7D+2 0.05423 0.02046 -0.00145 -0.02055 -0.05000 61 7D-2 -0.02245 -0.01178 -0.03146 -0.01711 0.01852 62 8D 0 0.00744 -0.01477 -0.00299 0.00137 -0.00361 63 8D+1 0.00274 0.00559 -0.00722 0.00562 -0.00395 64 8D-1 -0.00003 0.00095 0.00047 0.00674 -0.00111 65 8D+2 0.01429 0.00478 -0.00215 -0.00193 -0.00781 66 8D-2 -0.00542 -0.00479 -0.00680 -0.00543 0.00288 67 4 Cu 1S -0.00064 0.00145 -0.00304 -0.00171 0.00066 68 2S -0.08573 0.20206 0.02976 0.01632 0.00518 69 3S -1.16434 2.74903 0.55496 0.30668 -0.00195 70 4PX -0.01758 0.00437 -0.02442 0.01906 -0.01693 71 4PY -0.00385 -0.01529 0.00268 0.02354 -0.01982 72 4PZ 0.00330 -0.01396 0.01049 0.01159 0.00264 73 5PX 0.05853 0.09032 0.17904 -0.09884 0.03642 74 5PY 0.08479 -0.04897 -0.06508 -0.17032 0.06421 75 5PZ 0.03121 -0.03574 -0.05162 -0.06355 -0.01220 76 6PX 0.07142 0.29167 1.24674 -0.63288 1.93752 77 6PY 0.28282 -0.37165 -0.20171 -1.00664 2.06229 78 6PZ -0.12292 0.35220 -1.50842 -1.07858 -0.32498 79 7D 0 -0.00618 -0.00382 0.00143 -0.01371 0.00892 80 7D+1 -0.02181 -0.00750 0.00168 -0.04686 0.01132 81 7D-1 -0.01537 -0.00620 0.03856 -0.00722 -0.00416 82 7D+2 0.00565 0.00606 0.00343 -0.01014 0.00537 83 7D-2 -0.00219 0.00824 -0.02254 0.00140 -0.00704 84 8D 0 -0.00306 -0.00312 0.00113 -0.00387 0.00138 85 8D+1 -0.01072 -0.00789 0.00273 -0.01334 0.00059 86 8D-1 -0.01069 0.00178 0.00946 -0.00383 -0.00179 87 8D+2 0.00243 0.00286 0.00164 -0.00200 0.00243 88 8D-2 0.00046 0.00183 -0.00335 0.00214 -0.00181 89 5 Cu 1S -0.00001 0.00002 0.00006 0.00000 -0.00003 90 2S -0.00054 0.00067 0.00012 -0.00002 0.00004 91 3S -0.01088 0.01446 -0.01316 0.00192 0.01494 92 4PX -0.00686 -0.00849 0.00004 0.00860 0.02835 93 4PY -0.00814 0.00257 -0.00618 0.00209 0.02785 94 4PZ -0.00508 0.00738 -0.00679 -0.00240 0.01468 95 5PX 0.03656 0.04850 0.00054 -0.09690 -0.14045 96 5PY 0.04732 -0.01591 0.07162 -0.02444 -0.13954 97 5PZ 0.02585 -0.04020 0.07467 0.02521 -0.07204 98 6PX -0.15131 -0.22186 0.00167 -0.27242 -1.83971 99 6PY -0.20521 0.07974 0.18310 -0.06170 -1.80464 100 6PZ -0.10097 0.16744 0.23699 0.08009 -0.96064 101 7D 0 -0.00133 -0.01225 0.00858 -0.00610 -0.01105 102 7D+1 -0.02211 0.00510 0.02681 -0.01984 -0.03150 103 7D-1 -0.01019 -0.01446 -0.00143 -0.02475 -0.01519 104 7D+2 0.01282 0.01242 0.00674 0.00897 -0.00220 105 7D-2 -0.01103 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-0.00139 0.00191 -0.00411 68 2S 0.02022 0.09410 0.02420 -0.00552 0.01330 69 3S 0.02100 1.08578 0.53504 -0.42412 0.93639 70 4PX 0.01712 0.00456 -0.00152 -0.05459 -0.00104 71 4PY -0.01893 -0.00691 0.01731 -0.01541 -0.04569 72 4PZ 0.02296 0.00038 -0.05269 -0.01106 0.00159 73 5PX -0.07146 -0.01339 0.04081 0.34731 0.11616 74 5PY 0.09468 0.02217 -0.16390 0.17514 0.19749 75 5PZ -0.08083 -0.00862 0.35955 0.12810 -0.11421 76 6PX -1.55170 0.10185 0.69941 -0.13691 0.94097 77 6PY 1.62672 -0.24972 -1.18759 0.52075 -0.73744 78 6PZ -2.62860 0.37888 0.48570 0.81252 -1.62723 79 7D 0 0.02263 -0.03081 0.02696 0.00368 -0.01414 80 7D+1 0.00774 0.01978 -0.00826 -0.01346 -0.00490 81 7D-1 -0.03035 -0.02151 -0.00382 -0.00136 0.00408 82 7D+2 -0.01063 -0.01298 -0.00478 -0.04741 -0.02226 83 7D-2 -0.00773 -0.02054 -0.01369 0.02167 0.00852 84 8D 0 0.00496 -0.00588 0.00369 -0.00001 -0.00278 85 8D+1 0.00122 0.00501 -0.00039 -0.00348 -0.00352 86 8D-1 -0.00490 -0.00690 -0.00130 -0.00314 0.00264 87 8D+2 -0.00254 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7D+1 -0.00645 0.01922 0.01335 0.00088 -0.02043 147 7D-1 0.00219 -0.02485 -0.00292 0.00292 -0.00192 148 7D+2 0.00531 0.01816 -0.02639 0.00942 -0.02386 149 7D-2 0.01145 -0.02237 0.00938 -0.00021 0.01633 150 8D 0 0.00295 0.00573 -0.00157 0.00155 0.00670 151 8D+1 -0.00165 0.00682 0.00082 0.00003 -0.00321 152 8D-1 0.00146 -0.00762 -0.00127 0.00332 -0.00240 153 8D+2 -0.00001 0.00248 -0.00368 0.00238 -0.00258 154 8D-2 0.00080 -0.00561 0.00060 0.00208 0.00471 155 8 Cu 1S -0.00034 -0.00082 0.00136 -0.00119 -0.00175 156 2S 0.00912 -0.01286 -0.02559 0.01733 0.02647 157 3S 0.27104 -0.77423 -1.00462 0.64967 0.98386 158 4PX 0.02040 0.01069 0.00074 0.04323 0.06082 159 4PY 0.00438 -0.00359 -0.03004 0.03113 0.01804 160 4PZ 0.02577 0.00275 0.02757 -0.00464 -0.03718 161 5PX -0.08472 -0.11106 -0.06307 -0.19989 -0.27951 162 5PY -0.01095 0.00401 0.12162 -0.13488 -0.09840 163 5PZ -0.15022 0.00079 -0.10968 0.03953 0.16730 164 6PX 1.21755 0.29463 -0.83576 0.11987 0.24091 165 6PY 0.08936 -0.63685 0.43410 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0.03243 0.07035 0.01889 10 6PX -1.83030 -1.28597 -0.88712 2.81607 0.37237 11 6PY 0.37139 -0.30112 0.74581 -0.53141 -3.80628 12 6PZ 1.56429 -1.28626 -1.36013 -2.00712 1.67223 13 7D 0 -0.00294 0.00638 0.00266 0.02647 -0.01004 14 7D+1 -0.00396 0.02760 -0.00125 -0.01205 0.01464 15 7D-1 -0.01316 0.02292 -0.00921 -0.00686 0.00073 16 7D+2 0.00620 0.00303 0.00206 -0.01032 -0.02348 17 7D-2 0.01166 0.02207 -0.00759 0.01704 0.01009 18 8D 0 0.00064 0.00079 0.00072 0.00114 0.00023 19 8D+1 -0.00077 0.00346 -0.00259 -0.00052 0.00270 20 8D-1 -0.00102 0.00359 -0.00290 -0.00043 0.00004 21 8D+2 -0.00007 0.00032 0.00170 -0.00037 -0.00122 22 8D-2 0.00076 0.00319 -0.00313 0.00091 0.00062 23 2 Cu 1S 0.00129 0.00094 0.00064 -0.00003 -0.00043 24 2S -0.03193 -0.02368 -0.03699 -0.00081 -0.00762 25 3S -1.05933 -0.77623 -0.59429 -0.02452 -0.20501 26 4PX -0.01232 -0.00703 0.05247 -0.00002 -0.00383 27 4PY -0.01122 0.00288 0.00636 0.01162 0.00303 28 4PZ 0.00046 0.01165 -0.00819 0.01222 0.00312 29 5PX 0.10798 0.06820 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1.19713 -0.54211 -0.57304 0.02115 -0.16276 70 4PX -0.00407 0.01291 -0.02148 -0.01394 0.00508 71 4PY 0.01337 0.00199 0.01988 -0.00902 0.00224 72 4PZ 0.00907 -0.00119 0.04513 -0.00205 -0.00203 73 5PX 0.05446 -0.06040 0.10339 0.04991 -0.05634 74 5PY -0.09197 0.01464 -0.08080 0.03136 -0.02824 75 5PZ -0.08411 0.02595 -0.27364 0.00864 -0.01760 76 6PX 1.33697 0.29056 0.18662 6.71499 3.40853 77 6PY -1.08755 1.05699 -0.80297 4.68071 0.22878 78 6PZ -0.94020 0.59567 1.70570 0.90209 3.49220 79 7D 0 0.00760 -0.00994 -0.04444 -0.00520 -0.01198 80 7D+1 -0.02418 -0.00331 0.01851 -0.01856 0.00731 81 7D-1 0.01539 -0.02478 -0.00768 -0.01649 -0.01025 82 7D+2 0.01769 0.03628 -0.00484 0.02878 0.02258 83 7D-2 -0.01332 -0.00895 -0.00280 -0.00762 -0.01371 84 8D 0 0.00277 -0.00248 -0.00935 -0.00129 0.00005 85 8D+1 -0.00535 0.00012 0.00334 -0.00419 0.00061 86 8D-1 0.00371 -0.00538 0.00012 -0.00277 -0.00046 87 8D+2 0.00499 0.00940 0.00057 0.00045 0.00218 88 8D-2 -0.00250 -0.00299 0.00264 0.00069 -0.00176 89 5 Cu 1S 0.00000 -0.00006 -0.00576 -0.00001 -0.00011 90 2S 0.00079 -0.00127 -0.05323 -0.00008 -0.00079 91 3S 0.01495 -0.02664 -1.47995 -0.00217 -0.02060 92 4PX 0.01444 0.01076 0.00324 0.00092 0.01008 93 4PY -0.00426 0.01338 -0.00713 -0.00004 0.01263 94 4PZ -0.01195 0.00826 0.00584 -0.00051 0.00862 95 5PX -0.09157 -0.06928 -0.08959 -0.00473 -0.05002 96 5PY 0.02634 -0.08171 0.18376 0.00037 -0.05869 97 5PZ 0.07693 -0.05487 -0.16545 0.00244 -0.04384 98 6PX 3.58329 2.73642 0.62494 -0.36928 -4.46824 99 6PY -1.01542 3.32934 -1.37026 -0.00088 -5.80435 100 6PZ -3.01460 2.13498 1.16449 0.19863 -3.75221 101 7D 0 0.02548 -0.01171 -0.00160 0.00048 -0.00506 102 7D+1 -0.00978 0.00018 -0.00742 -0.00028 -0.00262 103 7D-1 0.00138 0.00227 0.01453 -0.00007 -0.00004 104 7D+2 -0.01051 -0.02408 0.00637 -0.00028 -0.00808 105 7D-2 0.00353 0.01064 0.00757 0.00029 0.00279 106 8D 0 0.00609 -0.00257 -0.00172 0.00024 -0.00297 107 8D+1 -0.00228 0.00082 -0.00626 -0.00014 -0.00133 108 8D-1 0.00076 0.00109 0.01232 -0.00003 0.00009 109 8D+2 -0.00282 -0.00579 0.00507 -0.00015 -0.00480 110 8D-2 0.00008 0.00291 0.00657 0.00015 0.00179 111 6 Cu 1S 0.00108 -0.00046 0.00232 -0.00005 0.00068 112 2S -0.05964 0.02693 0.02064 -0.00170 0.01381 113 3S -1.81007 0.81774 0.19364 -0.03911 0.24608 114 4PX -0.00378 0.00760 -0.00786 -0.01393 0.00084 115 4PY 0.00784 0.00089 0.00967 -0.00887 -0.00316 116 4PZ 0.01163 -0.00393 0.00761 -0.00190 -0.00498 117 5PX 0.02489 -0.03379 0.02844 0.10218 0.00400 118 5PY -0.03043 -0.00293 -0.03477 0.06628 0.01818 119 5PZ -0.10344 0.04193 -0.02808 0.01547 0.02133 120 6PX -1.72323 -1.42020 -0.84937 -2.94838 -0.95221 121 6PY 0.72885 -1.75382 1.50840 -2.04194 0.29841 122 6PZ 0.29178 -0.51771 -0.59803 -0.36370 -1.75737 123 7D 0 -0.00413 -0.00325 -0.00402 0.00536 -0.00935 124 7D+1 -0.02533 -0.00460 0.00637 0.01604 0.01059 125 7D-1 0.01941 -0.02014 -0.00756 0.00559 0.00311 126 7D+2 -0.00342 0.00608 -0.00186 0.02820 0.00622 127 7D-2 -0.02311 0.01147 -0.00053 -0.01518 0.00338 128 8D 0 -0.00027 -0.00029 -0.00211 0.00031 0.00002 129 8D+1 -0.00342 0.00029 0.00286 0.00097 0.00184 130 8D-1 0.00343 -0.00224 -0.00272 0.00046 0.00084 131 8D+2 -0.00082 -0.00037 0.00030 0.00114 0.00054 132 8D-2 -0.00291 0.00184 0.00219 -0.00079 0.00086 133 7 Cu 1S 0.00016 -0.00158 0.00067 0.00001 0.00079 134 2S -0.00400 0.03848 -0.03826 0.00007 0.01234 135 3S -0.13417 1.28928 -0.63236 0.00248 0.34878 136 4PX 0.01142 -0.00920 -0.02236 0.01391 -0.00289 137 4PY -0.00038 -0.01017 -0.04344 -0.00259 -0.00682 138 4PZ -0.00601 -0.01256 -0.02065 -0.01008 -0.00262 139 5PX -0.04420 0.07907 0.10818 -0.05343 0.00796 140 5PY -0.00569 0.09384 0.26529 0.00968 -0.01509 141 5PZ 0.01495 0.09431 0.08668 0.03874 0.02229 142 6PX 0.68721 1.28319 0.17849 -6.33762 -0.94640 143 6PY -0.22085 0.89976 -1.83018 1.17987 6.97216 144 6PZ -0.75333 1.39047 0.63144 4.51225 -3.71079 145 7D 0 -0.03415 -0.00750 0.02466 0.02054 -0.01956 146 7D+1 0.01021 0.01134 0.00187 -0.00570 -0.00689 147 7D-1 -0.01789 0.02170 -0.01221 0.01663 0.01452 148 7D+2 0.02504 -0.00179 0.03600 -0.01872 -0.01707 149 7D-2 0.00913 0.02132 -0.02164 -0.01610 0.01699 150 8D 0 -0.00892 -0.00272 0.00412 -0.00039 -0.00085 151 8D+1 0.00305 0.00164 -0.00278 0.00067 -0.00164 152 8D-1 -0.00374 0.00527 -0.00070 0.00296 0.00074 153 8D+2 0.00621 -0.00107 0.00841 -0.00124 0.00033 154 8D-2 0.00117 0.00510 -0.00393 -0.00412 0.00030 155 8 Cu 1S -0.00100 -0.00069 0.00230 0.00007 0.00087 156 2S 0.05304 0.03887 0.02214 0.00186 0.01743 157 3S 1.61454 1.18134 0.23354 0.03832 0.30937 158 4PX -0.01242 -0.00830 0.01124 -0.00038 -0.00724 159 4PY -0.00538 0.00224 0.00596 0.01130 -0.00247 160 4PZ -0.00013 0.00569 -0.00635 0.01209 -0.00033 161 5PX 0.09893 0.06968 -0.04049 0.00061 0.02943 162 5PY 0.01062 -0.01570 -0.02090 -0.08387 0.01707 163 5PZ 0.00833 -0.01563 0.02296 -0.08896 0.00847 164 6PX -0.81544 -0.65123 0.00336 -0.08139 -1.65234 165 6PY 0.11424 -1.93149 1.35342 2.58924 0.62231 166 6PZ 1.86537 -0.83474 -1.21835 2.48946 -1.78802 167 7D 0 0.00979 0.00397 0.00467 -0.03042 0.01414 168 7D+1 0.02818 0.00376 0.00419 -0.00413 0.00162 169 7D-1 0.01068 0.00807 -0.00360 0.00245 0.00831 170 7D+2 -0.01299 -0.01230 -0.00820 -0.01936 -0.00893 171 7D-2 -0.01253 -0.02506 -0.00343 -0.00275 0.00589 172 8D 0 0.00188 0.00010 0.00220 -0.00137 0.00114 173 8D+1 0.00329 0.00152 0.00182 -0.00037 0.00144 174 8D-1 0.00113 0.00092 0.00105 0.00022 0.00142 175 8D+2 -0.00189 -0.00222 -0.00377 -0.00092 -0.00029 176 8D-2 -0.00251 -0.00263 -0.00168 -0.00039 0.00070 177 9 C 1S -0.00007 0.00009 -0.00489 0.00000 -0.00025 178 2S 0.00059 -0.00093 -0.00644 -0.00003 0.00065 179 3S -0.00217 0.00326 0.11143 0.00014 0.00135 180 4PX -0.07449 -0.05742 0.00667 0.00461 0.05713 181 4PY 0.02060 -0.06947 -0.01141 0.00011 0.07229 182 4PZ 0.06320 -0.04469 0.01253 -0.00234 0.04862 183 5PX -0.10049 -0.07770 -0.03916 0.00554 0.06873 184 5PY 0.02828 -0.09342 0.08126 0.00016 0.09081 185 5PZ 0.08442 -0.06054 -0.07199 -0.00288 0.05705 186 10 O 1S 0.00027 -0.00022 0.01231 0.00001 0.00041 187 2S -0.00085 0.00070 -0.03714 -0.00004 -0.00128 188 3S -0.00095 0.00060 -0.05823 -0.00011 -0.00154 189 4PX -0.03630 -0.02760 0.00115 0.00074 0.01056 190 4PY 0.01034 -0.03377 -0.00122 0.00008 0.01304 191 4PZ 0.03054 -0.02144 0.00167 -0.00028 0.00836 192 5PX 0.01003 0.00843 -0.00172 -0.00093 -0.01143 193 5PY -0.00231 0.00931 0.00337 -0.00002 -0.01403 194 5PZ -0.00903 0.00671 -0.00340 0.00051 -0.01009 116 117 118 119 120 V V V V V EIGENVALUES -- 0.08575 0.10498 0.10509 0.10587 0.10814 1 1 Cu 1S -0.00008 0.00146 0.00011 0.00000 0.00506 2 2S -0.00186 -0.01494 -0.00530 0.00010 0.08013 3 3S -0.03639 -0.52551 -0.11962 0.00051 0.85381 4 4PX 0.00205 -0.01018 -0.02320 -0.06370 0.00876 5 4PY -0.00121 0.08326 0.01943 0.01123 -0.03438 6 4PZ -0.00223 -0.04245 0.00718 0.04585 0.02185 7 5PX -0.01939 0.08178 0.17984 0.49633 -0.05035 8 5PY 0.00700 -0.66313 -0.15602 -0.08746 0.32351 9 5PZ 0.01664 0.33741 -0.05460 -0.35711 -0.15926 10 6PX 0.97696 -0.03093 -0.74185 -0.21371 0.11880 11 6PY -0.45278 0.14884 0.20920 0.03670 -1.55856 12 6PZ -0.56788 -0.34426 0.44169 0.15479 0.59641 13 7D 0 0.00589 0.01176 -0.00025 -0.00866 -0.01239 14 7D+1 -0.00259 0.00185 0.00270 0.00343 -0.02580 15 7D-1 -0.00452 0.00851 0.00445 -0.00065 -0.02548 16 7D+2 -0.00282 0.02010 0.00440 0.00465 -0.01343 17 7D-2 0.00866 0.00002 -0.00304 -0.00170 -0.01784 18 8D 0 0.00040 0.00364 0.00015 -0.00593 -0.00178 19 8D+1 -0.00018 0.00121 0.00055 0.00223 -0.00531 20 8D-1 -0.00116 -0.00075 -0.00019 -0.00123 -0.00629 21 8D+2 0.00030 0.00466 0.00126 0.00360 -0.00191 22 8D-2 0.00162 -0.00221 -0.00005 -0.00010 -0.00469 23 2 Cu 1S 0.00065 0.00000 -0.00014 0.00001 0.00157 24 2S 0.00969 -0.00182 0.00420 -0.00019 -0.02306 25 3S 0.27550 -0.00101 0.07358 -0.00413 -0.90740 26 4PX 0.00664 0.01431 -0.01849 -0.00026 0.03130 27 4PY 0.00328 -0.00503 0.02371 -0.02827 0.04156 28 4PZ 0.00229 0.02554 -0.00604 -0.02875 -0.03980 29 5PX 0.00328 -0.09983 0.12854 0.00190 -0.22088 30 5PY -0.04693 0.01430 -0.13689 0.19012 -0.25905 31 5PZ -0.01540 -0.15271 0.01944 0.19442 0.24943 32 6PX -4.17172 -0.02521 0.08858 -0.05445 0.41447 33 6PY 4.95083 1.07327 0.54381 -1.96936 1.25722 34 6PZ -2.15453 0.93818 1.02694 -2.06280 -1.13453 35 7D 0 0.00018 0.00673 0.01063 -0.01819 -0.01063 36 7D+1 -0.00213 0.00197 0.01528 -0.04660 0.02776 37 7D-1 0.00998 0.04430 -0.05260 0.00339 -0.03438 38 7D+2 0.03054 0.01393 -0.00660 -0.01257 0.01447 39 7D-2 -0.00696 0.01873 -0.00240 -0.04369 -0.02958 40 8D 0 0.00148 0.00093 0.00228 -0.00350 -0.00251 41 8D+1 0.00003 0.00091 0.00549 -0.01506 0.00707 42 8D-1 0.00151 0.01300 -0.01542 0.00095 -0.00837 43 8D+2 0.00117 0.00358 -0.00228 -0.00273 0.00344 44 8D-2 -0.00022 0.00652 -0.00072 -0.01419 -0.00742 45 3 Cu 1S 0.00001 0.00005 0.00006 -0.00001 -0.00188 46 2S 0.00062 0.00029 0.00029 -0.00004 -0.00552 47 3S 0.01327 0.00359 0.00265 -0.00005 0.06384 48 4PX 0.00000 -0.04706 0.05272 -0.00136 0.01641 49 4PY 0.00002 -0.05063 -0.01871 0.00021 -0.03294 50 4PZ 0.00001 -0.03038 -0.05044 0.00107 0.02688 51 5PX 0.01047 0.35010 -0.39403 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-0.02360 0.02256 0.05252 72 4PZ -0.00628 0.01345 0.02880 0.00513 0.01049 73 5PX 0.01987 -0.11763 -0.00365 -0.22264 0.23953 74 5PY 0.03594 -0.02531 0.12538 -0.15162 -0.33554 75 5PZ -0.01141 -0.08684 -0.18377 -0.03490 -0.08788 76 6PX 0.15754 1.39980 -0.54708 2.34560 -0.95541 77 6PY -4.14237 0.97027 -0.14837 1.56617 1.51551 78 6PZ 5.98751 0.20744 -0.26154 0.41054 -0.27604 79 7D 0 -0.02383 0.00210 -0.00767 0.01685 0.03949 80 7D+1 0.01257 0.01090 -0.02029 0.05406 0.00551 81 7D-1 -0.01067 0.02486 0.03741 0.03533 -0.03072 82 7D+2 -0.01674 0.01440 0.02442 -0.00588 -0.01024 83 7D-2 -0.00264 0.01235 0.04912 -0.00916 -0.01372 84 8D 0 -0.00025 0.00067 -0.00269 0.00523 0.00961 85 8D+1 -0.00027 0.00342 -0.00629 0.01653 0.00153 86 8D-1 -0.00071 0.00797 0.01127 0.01127 -0.00767 87 8D+2 -0.00185 0.00260 0.00764 -0.00418 -0.00243 88 8D-2 -0.00080 0.00409 0.01392 -0.00184 -0.00311 89 5 Cu 1S -0.00009 0.00016 0.00021 -0.00001 -0.00491 90 2S -0.00042 0.00382 0.00526 -0.00019 -0.12761 91 3S -0.01220 -0.01050 -0.00518 -0.00039 -0.33619 92 4PX -0.01380 -0.03218 0.03579 -0.00095 0.01335 93 4PY 0.00329 -0.03406 -0.01237 0.00015 -0.02701 94 4PZ 0.01136 -0.02100 -0.03481 0.00074 0.02231 95 5PX 0.06524 0.17295 -0.19402 0.00560 -0.09231 96 5PY -0.01362 0.18490 0.06786 -0.00102 0.18486 97 5PZ -0.05652 0.11226 0.18768 -0.00431 -0.15950 98 6PX 6.30988 -0.90217 1.07664 -0.01727 -0.62266 99 6PY -1.59845 -1.06216 -0.44693 0.00747 1.28186 100 6PZ -5.04113 -0.54486 -0.91676 0.01192 -1.16998 101 7D 0 -0.00826 -0.00714 0.01881 -0.00034 -0.01378 102 7D+1 0.00314 -0.04577 -0.00872 0.00003 -0.05003 103 7D-1 0.00161 -0.02533 0.02546 -0.00043 0.09723 104 7D+2 0.00278 0.01932 -0.02374 0.00045 0.03872 105 7D-2 -0.00401 -0.01940 -0.04340 0.00080 0.04991 106 8D 0 -0.00499 -0.00237 0.00386 -0.00004 -0.00498 107 8D+1 0.00190 -0.01228 -0.00182 -0.00001 -0.01719 108 8D-1 0.00075 -0.00677 0.00664 -0.00010 0.03362 109 8D+2 0.00182 0.00400 -0.00606 0.00009 0.01334 110 8D-2 -0.00202 -0.00476 -0.01193 0.00022 0.01744 111 6 Cu 1S 0.00138 -0.00067 -0.00172 0.00005 0.00469 112 2S 0.02809 0.00213 0.00841 -0.00007 0.07999 113 3S 0.50263 0.15681 0.45085 -0.01116 0.92034 114 4PX 0.00482 0.02351 0.00818 0.06575 0.01055 115 4PY -0.00462 -0.00200 -0.04383 0.04483 -0.02614 116 4PZ -0.00963 0.03065 0.07542 0.00990 0.04079 117 5PX -0.02132 -0.18452 -0.06802 -0.51170 -0.06769 118 5PY 0.01864 0.01888 0.34968 -0.34956 0.19679 119 5PZ 0.03827 -0.24045 -0.59593 -0.07725 -0.37397 120 6PX -0.27572 0.71654 -0.12081 0.23535 0.19384 121 6PY 1.73326 0.38550 -0.36981 0.16583 -0.69599 122 6PZ -3.32909 0.11395 -0.00153 0.03578 1.58298 123 7D 0 -0.02349 0.00626 0.02061 -0.00062 0.01637 124 7D+1 0.00714 -0.00372 0.00031 -0.00155 0.01845 125 7D-1 -0.00126 -0.00416 -0.00743 0.00099 -0.02915 126 7D+2 0.00367 -0.00266 -0.00030 -0.00970 0.00461 127 7D-2 0.01315 0.00136 -0.00030 0.00419 0.02437 128 8D 0 -0.00104 0.00217 0.00569 0.00013 0.00227 129 8D+1 0.00013 -0.00059 -0.00215 0.00027 0.00467 130 8D-1 -0.00053 0.00060 0.00073 0.00140 -0.00678 131 8D+2 0.00091 -0.00021 0.00068 -0.00682 0.00073 132 8D-2 0.00251 0.00044 0.00096 0.00267 0.00493 133 7 Cu 1S 0.00007 -0.00014 -0.00008 0.00000 0.00153 134 2S 0.00044 0.00446 0.00172 -0.00005 -0.02316 135 3S 0.01916 0.06568 0.04548 -0.00082 -0.89610 136 4PX -0.00415 -0.00344 -0.01609 -0.03206 -0.03909 137 4PY -0.00006 0.03223 0.00876 0.00565 -0.00500 138 4PZ 0.00221 -0.01892 0.01048 0.02294 -0.05231 139 5PX 0.05622 0.00148 0.10445 0.21687 0.25235 140 5PY -0.00920 -0.20615 -0.05737 -0.03826 0.05522 141 5PZ -0.03627 0.09453 -0.07521 -0.15516 0.33255 142 6PX -3.59642 0.39910 -1.45754 -2.25411 -0.99449 143 6PY 1.12569 -0.22139 0.21934 0.39825 0.26924 144 6PZ 2.24923 0.03665 1.18399 1.61725 -1.36830 145 7D 0 0.02515 0.01491 0.00972 0.00129 -0.01249 146 7D+1 -0.01072 0.04953 0.00333 -0.00723 0.01681 147 7D-1 0.00605 -0.03944 -0.01876 -0.03794 -0.03222 148 7D+2 -0.01721 -0.01879 0.00093 0.01792 -0.04188 149 7D-2 0.00225 -0.02107 0.01551 0.05150 -0.00567 150 8D 0 0.00245 0.00434 0.00130 -0.00170 -0.00317 151 8D+1 -0.00116 0.01411 0.00144 -0.00141 0.00389 152 8D-1 0.00029 -0.01201 -0.00613 -0.01196 -0.00815 153 8D+2 -0.00139 -0.00617 0.00111 0.00672 -0.01036 154 8D-2 0.00046 -0.00648 0.00477 0.01562 -0.00150 155 8 Cu 1S -0.00122 -0.00114 0.00109 -0.00004 0.00492 156 2S -0.02461 0.00600 -0.01267 0.00021 0.07993 157 3S -0.44001 0.30956 -0.42378 0.01297 0.87757 158 4PX 0.01057 0.03969 -0.04836 -0.00015 0.02468 159 4PY 0.00145 -0.01975 0.05036 -0.05646 -0.02579 160 4PZ -0.00212 0.04425 -0.02793 -0.05692 0.02548 161 5PX -0.04266 -0.31225 0.38587 0.00136 -0.25071 162 5PY -0.00386 0.15966 -0.39926 0.44019 0.20553 163 5PZ 0.01078 -0.34949 0.22470 0.44289 -0.20157 164 6PX 2.41035 -0.01622 -0.03842 0.00264 1.23991 165 6PY -2.06978 0.34293 0.59611 -0.21117 -0.83287 166 6PZ 1.41096 0.59405 0.21215 -0.20058 0.81164 167 7D 0 -0.00893 -0.00771 0.00349 0.00886 0.00419 168 7D+1 0.00510 0.00608 -0.01260 -0.00169 0.02944 169 7D-1 -0.01265 -0.00304 0.00345 -0.00053 0.00976 170 7D+2 0.01991 0.00617 -0.01013 0.00526 -0.00871 171 7D-2 -0.00242 -0.00973 0.01089 -0.00253 -0.03070 172 8D 0 -0.00026 -0.00224 0.00210 0.00567 0.00174 173 8D+1 0.00024 0.00134 -0.00145 -0.00244 0.00631 174 8D-1 -0.00218 0.00067 -0.00088 -0.00021 0.00156 175 8D+2 0.00116 0.00324 -0.00382 0.00328 -0.00328 176 8D-2 0.00102 -0.00094 0.00202 -0.00259 -0.00640 177 9 C 1S -0.00017 0.00101 0.00147 -0.00006 -0.04426 178 2S 0.00044 -0.00193 -0.00297 0.00013 0.09770 179 3S 0.00087 -0.01414 -0.01963 0.00070 0.53770 180 4PX -0.07963 -0.07638 0.08982 -0.00243 -0.02722 181 4PY 0.01933 -0.08512 -0.03451 0.00049 0.05149 182 4PZ 0.06482 -0.04854 -0.08195 0.00166 -0.05942 183 5PX -0.09789 -0.02814 0.02972 -0.00105 -0.00889 184 5PY 0.02543 -0.02517 -0.00842 0.00013 0.01516 185 5PZ 0.07683 -0.02060 -0.03274 0.00088 -0.02121 186 10 O 1S 0.00031 0.00000 -0.00005 0.00000 0.00536 187 2S -0.00098 -0.00028 -0.00012 0.00000 -0.01583 188 3S -0.00112 0.00280 0.00318 -0.00009 -0.05592 189 4PX -0.01344 0.05867 -0.06906 0.00175 0.02403 190 4PY 0.00301 0.06656 0.02713 -0.00040 -0.04700 191 4PZ 0.01036 0.03667 0.06178 -0.00121 0.05003 192 5PX 0.01599 0.03218 -0.03967 0.00108 0.02946 193 5PY -0.00372 0.03789 0.01660 -0.00028 -0.05790 194 5PZ -0.01355 0.01978 0.03410 -0.00070 0.05839 121 122 123 124 125 V V V V V EIGENVALUES -- 0.11874 0.11898 0.15526 0.15538 0.19956 1 1 Cu 1S 0.00008 0.00067 -0.00852 0.00120 -0.00369 2 2S 0.00127 0.01234 -0.03450 0.00484 0.00434 3 3S 0.01733 0.18315 -0.07077 0.01255 0.45955 4 4PX -0.03480 0.00634 -0.01675 -0.06962 0.02806 5 4PY 0.00495 -0.01394 -0.03499 0.01772 -0.03992 6 4PZ 0.02592 0.00502 0.00652 0.05076 0.04927 7 5PX 0.29970 -0.04451 0.20599 0.76077 -0.50183 8 5PY -0.04111 0.13403 0.41965 -0.20033 0.56153 9 5PZ -0.22122 -0.03268 -0.04947 -0.55997 -0.84190 10 6PX 3.33340 -1.01209 -0.38420 -1.35440 0.23968 11 6PY -0.23156 3.98848 -0.40721 0.30909 -0.59783 12 6PZ -2.62248 -1.68980 -0.01798 1.01095 0.48882 13 7D 0 -0.02239 -0.01358 0.00927 0.04483 0.03932 14 7D+1 0.00902 0.00154 -0.02452 -0.01659 0.02892 15 7D-1 0.00033 -0.00439 -0.01447 -0.00299 0.03949 16 7D+2 0.00747 -0.02930 0.01039 -0.02254 0.06019 17 7D-2 -0.00653 0.00813 -0.01520 0.02246 0.01096 18 8D 0 -0.00847 -0.00392 0.00155 0.00607 0.01063 19 8D+1 0.00258 -0.00350 -0.00564 -0.00177 0.01086 20 8D-1 -0.00218 0.00279 -0.00343 0.00091 0.00931 21 8D+2 0.00479 -0.00526 0.00263 -0.00386 0.01384 22 8D-2 0.00118 0.00314 -0.00428 0.00189 0.00334 23 2 Cu 1S -0.00064 0.00047 -0.00668 -0.00862 -0.00736 24 2S -0.01442 0.01047 -0.07547 -0.09711 -0.10202 25 3S -0.33331 0.23692 -1.35882 -1.74250 -2.28515 26 4PX -0.02233 0.01510 0.02754 0.03538 0.00116 27 4PY 0.00764 -0.03415 0.01036 0.02073 -0.01787 28 4PZ -0.03392 -0.00591 -0.01803 -0.01530 0.01754 29 5PX 0.18348 -0.12414 -0.24446 -0.31765 -0.15136 30 5PY -0.06298 0.28432 -0.03690 -0.24493 0.30137 31 5PZ 0.28180 0.04919 0.23492 0.09414 -0.29252 32 6PX -4.10122 2.76239 1.45277 1.85884 0.22803 33 6PY 0.97763 -6.36109 0.64668 0.60796 0.44770 34 6PZ -6.16529 -1.50331 -0.45015 -0.81213 -0.41952 35 7D 0 -0.01170 -0.00766 0.02998 -0.04071 -0.02824 36 7D+1 0.00844 0.00896 -0.00502 -0.07326 -0.02579 37 7D-1 -0.00384 0.00271 -0.00591 -0.00180 -0.05605 38 7D+2 0.00281 -0.01045 0.04032 0.00246 0.04580 39 7D-2 0.00494 0.01113 0.06799 0.02561 0.02225 40 8D 0 0.00154 0.00060 0.00485 -0.00985 -0.00640 41 8D+1 0.00103 0.00364 0.00042 -0.02073 -0.01111 42 8D-1 -0.00097 0.00041 -0.00173 -0.00075 -0.02400 43 8D+2 -0.00070 0.00171 0.01063 0.00325 0.00957 44 8D-2 0.00306 0.00192 0.01968 0.00528 0.01027 45 3 Cu 1S 0.00000 -0.00001 -0.00002 0.00002 -0.01257 46 2S 0.00019 0.00001 -0.00007 0.00002 -0.01929 47 3S 0.00343 0.00261 0.00051 -0.00102 0.94910 48 4PX 0.03596 -0.02645 -0.05738 -0.07046 -0.00508 49 4PY -0.01005 -0.03305 -0.06680 0.02318 0.01038 50 4PZ -0.02971 -0.02088 -0.04024 0.06198 -0.00939 51 5PX -0.28689 0.21117 0.59307 0.72866 0.07141 52 5PY 0.08022 0.26348 0.69033 -0.23971 -0.14452 53 5PZ 0.23685 0.16678 0.41575 -0.64077 0.13226 54 6PX -3.33709 2.49574 -0.80446 -0.99128 0.12088 55 6PY 0.93064 3.11376 -0.93629 0.32616 -0.23852 56 6PZ 2.75902 1.97270 -0.56431 0.87165 0.23785 57 7D 0 -0.03300 -0.01430 0.01532 -0.04076 0.00153 58 7D+1 0.01261 0.00500 -0.00594 0.01563 0.00512 59 7D-1 -0.00461 0.00482 -0.00624 -0.00567 -0.00999 60 7D+2 0.01555 -0.03225 0.03961 0.01726 -0.00397 61 7D-2 -0.00090 0.01539 -0.01865 -0.00003 -0.00515 62 8D 0 -0.01116 -0.00671 0.00184 -0.00457 -0.00016 63 8D+1 0.00432 -0.00434 -0.00027 0.00174 -0.00043 64 8D-1 0.00222 -0.00081 -0.00052 -0.00041 0.00097 65 8D+2 0.00318 -0.01080 0.00445 0.00180 0.00038 66 8D-2 -0.00584 0.00344 -0.00199 -0.00038 0.00057 67 4 Cu 1S 0.00072 0.00034 -0.00409 0.01011 -0.00747 68 2S 0.01610 0.00743 -0.04621 0.11408 -0.10257 69 3S 0.36711 0.16574 -0.83136 2.05152 -2.27231 70 4PX 0.01940 -0.02182 -0.01618 0.02510 0.01187 71 4PY -0.01291 -0.02639 0.00999 -0.03454 -0.02017 72 4PZ 0.03604 0.01102 0.01060 -0.02848 0.00983 73 5PX -0.16177 0.18126 0.23636 -0.19575 -0.15657 74 5PY 0.10752 0.21997 -0.03533 0.34569 0.30557 75 5PZ -0.29707 -0.09062 -0.07717 0.25547 -0.28730 76 6PX 3.54562 -4.41213 -0.35473 1.29970 -0.35265 77 6PY -1.98267 -4.94774 0.67206 -1.38245 0.53310 78 6PZ 6.50675 1.91453 0.68180 -1.60610 0.00369 79 7D 0 -0.00993 -0.00155 0.00752 0.02934 0.02840 80 7D+1 0.00035 0.00799 0.03972 0.06329 -0.03520 81 7D-1 -0.00306 0.00739 0.05729 -0.04910 0.02103 82 7D+2 0.00907 -0.01652 0.02395 0.01317 -0.02092 83 7D-2 0.00128 0.00707 -0.03519 0.02706 -0.06502 84 8D 0 0.00167 0.00217 0.00311 0.00613 0.00266 85 8D+1 -0.00200 0.00363 0.01106 0.01819 -0.00959 86 8D-1 -0.00136 0.00239 0.01675 -0.01305 0.00540 87 8D+2 0.00067 -0.00017 0.00260 0.00198 -0.00954 88 8D-2 0.00149 -0.00006 -0.00822 0.00813 -0.02678 89 5 Cu 1S 0.00001 -0.00001 0.00005 0.00000 0.00201 90 2S -0.00038 -0.00070 0.00054 0.00002 0.13779 91 3S -0.00101 -0.00150 0.01666 -0.01232 5.11898 92 4PX -0.02002 0.01507 -0.00456 -0.00616 -0.01019 93 4PY 0.00554 0.01885 -0.00545 0.00210 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0.00017 0.04021 194 5PZ 0.09469 -0.04698 -0.03084 -0.00019 0.07199 131 132 133 134 135 V V V V V EIGENVALUES -- 0.24943 0.25849 0.28909 0.28937 0.30405 1 1 Cu 1S 0.00402 0.01486 -0.00033 0.00080 -0.00174 2 2S 0.00159 -0.04571 -0.04089 0.15618 -0.06142 3 3S -0.58314 -3.90016 -1.87396 7.26303 -2.47806 4 4PX 0.00225 -0.03178 -0.03537 0.05689 -0.01796 5 4PY -0.02296 -0.04333 -0.00557 0.03638 -0.04319 6 4PZ 0.01107 -0.03356 -0.00641 0.08108 -0.01410 7 5PX -0.05649 0.66913 0.83562 -1.61001 0.47336 8 5PY 0.78649 0.95155 0.21568 -1.14440 1.17209 9 5PZ -0.39379 0.69778 0.26951 -2.18091 0.36482 10 6PX 0.01217 0.36496 0.27408 -0.44234 0.06252 11 6PY -1.21115 0.22442 0.12002 -0.56740 0.24860 12 6PZ 0.82515 0.46802 0.03116 -0.56618 0.02632 13 7D 0 0.06438 0.01481 -0.01279 0.02208 0.03375 14 7D+1 -0.01455 -0.04794 -0.00690 0.06777 0.01922 15 7D-1 0.00069 -0.01748 0.03838 0.02991 -0.07813 16 7D+2 0.08142 0.04668 -0.01989 0.00062 0.01492 17 7D-2 -0.01904 -0.03594 -0.06447 0.00472 -0.06172 18 8D 0 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7D+2 0.05539 0.01784 0.06141 -0.01555 -0.00015 39 7D-2 -0.00982 -0.07154 0.01336 -0.00919 0.03126 40 8D 0 -0.01763 -0.00018 0.02327 -0.03818 0.00878 41 8D+1 0.00826 0.02743 0.00441 -0.01299 -0.00931 42 8D-1 0.00796 0.01507 -0.00988 -0.00651 0.02628 43 8D+2 0.02177 0.00023 0.03032 -0.00636 -0.01223 44 8D-2 0.00175 -0.02867 0.01056 -0.00416 0.01144 45 3 Cu 1S -0.00001 0.01094 -0.00001 -0.00019 0.01050 46 2S -0.00037 -0.08909 -0.00076 -0.00054 0.18628 47 3S -0.00547 -5.38466 -0.03320 0.01534 6.54498 48 4PX 0.02844 0.03130 -0.01808 -0.01874 -0.03772 49 4PY 0.01999 -0.06204 0.00847 -0.01815 0.07531 50 4PZ 0.00655 0.05803 0.01945 -0.00939 -0.07073 51 5PX -0.80658 -0.77368 0.34489 0.36393 0.93989 52 5PY -0.57415 1.53238 -0.15967 0.35105 -1.88534 53 5PZ -0.18346 -1.43137 -0.37276 0.18243 1.76653 54 6PX 1.21817 -0.34465 0.09139 0.09044 0.17057 55 6PY 0.86987 0.70164 -0.04537 0.08952 -0.33143 56 6PZ 0.27834 -0.68003 -0.10008 0.04749 0.32405 57 7D 0 -0.00335 -0.00506 0.00000 0.02044 0.01501 58 7D+1 -0.00158 -0.02037 -0.01197 0.06852 0.04863 59 7D-1 0.01763 0.03965 0.03920 0.03460 -0.09654 60 7D+2 -0.10354 0.01530 -0.02394 -0.00747 -0.03912 61 7D-2 0.04318 0.02097 -0.06556 0.01085 -0.05139 62 8D 0 -0.00618 -0.00377 -0.00297 0.00190 0.00304 63 8D+1 -0.01634 -0.01314 0.00053 0.00339 0.00950 64 8D-1 -0.00431 0.02590 0.00163 0.00136 -0.01923 65 8D+2 -0.03435 0.01035 -0.00024 0.00281 -0.00781 66 8D-2 0.01622 0.01398 -0.00304 -0.00084 -0.01018 67 4 Cu 1S -0.00008 -0.00021 -0.01156 0.00320 -0.01598 68 2S 0.00107 0.05413 0.01014 -0.00341 -0.12186 69 3S 0.08184 3.45844 4.41885 -1.25855 -1.96229 70 4PX 0.02743 0.00821 0.00317 0.04437 0.01134 71 4PY 0.01637 -0.01742 0.02174 0.02378 -0.00651 72 4PZ 0.00893 0.02133 -0.00325 0.00865 -0.03814 73 5PX -0.59684 -0.29408 -0.20301 -1.68386 -0.18417 74 5PY -0.37111 0.60815 -0.77794 -0.93605 -0.03846 75 5PZ -0.18861 -0.67062 0.39024 -0.40949 1.11686 76 6PX 0.97675 -0.01242 0.19351 -0.43215 0.01274 77 6PY 0.53800 0.04113 -0.41853 -0.13076 -0.21510 78 6PZ 0.30604 -0.00685 -0.28331 0.00799 0.80962 79 7D 0 0.00532 0.06659 -0.03170 -0.00681 -0.03364 80 7D+1 0.00240 0.02222 0.00453 -0.05968 -0.01667 81 7D-1 0.00832 -0.04673 -0.01418 -0.01886 0.06296 82 7D+2 -0.02606 0.01741 -0.01293 -0.07922 0.03811 83 7D-2 0.01117 0.06226 0.03883 0.03337 0.07087 84 8D 0 0.00387 0.02069 -0.01399 -0.00452 -0.02243 85 8D+1 0.00673 0.01274 0.00366 -0.03181 0.00141 86 8D-1 0.00765 -0.02143 -0.01098 -0.01011 0.01418 87 8D+2 -0.01186 0.00702 -0.00575 -0.03602 0.00934 88 8D-2 0.00368 0.02655 0.01932 0.01539 0.01888 89 5 Cu 1S -0.00048 0.04780 -0.00030 0.00007 0.04761 90 2S -0.00364 0.42945 -0.00244 0.00063 0.36392 91 3S -0.00377 6.74008 -0.03436 0.00182 6.67089 92 4PX -0.08936 0.01052 0.03155 0.03324 0.02902 93 4PY -0.06373 -0.02135 -0.01500 0.03186 -0.05698 94 4PZ -0.02071 0.02257 -0.03341 0.01670 0.05377 95 5PX 1.62019 -0.52846 -1.25859 -1.31615 -0.92681 96 5PY 1.15039 1.06382 0.60878 -1.27646 1.82049 97 5PZ 0.37804 -1.03895 1.32608 -0.66064 -1.70883 98 6PX -2.28729 -0.20564 -0.79830 -0.83849 -0.14971 99 6PY -1.63936 0.36221 0.38880 -0.81747 0.25711 100 6PZ -0.51511 -0.34959 0.84674 -0.42629 -0.30006 101 7D 0 -0.00613 -0.00226 -0.07372 0.00904 -0.00172 102 7D+1 -0.01447 -0.00716 0.03327 -0.03717 -0.00477 103 7D-1 0.00120 0.01353 -0.02536 -0.02742 0.01142 104 7D+2 -0.05550 0.00486 0.03254 0.07525 0.00513 105 7D-2 0.02510 0.00700 0.03283 -0.03706 0.00683 106 8D 0 -0.00296 -0.00387 -0.02432 0.00173 -0.00655 107 8D+1 -0.00744 -0.01251 0.01185 -0.01715 -0.01981 108 8D-1 -0.00132 0.02459 -0.01124 -0.01178 0.03981 109 8D+2 -0.01988 0.00964 0.01251 0.02584 0.01582 110 8D-2 0.00915 0.01321 0.01584 -0.01344 0.02132 111 6 Cu 1S -0.00026 0.01523 0.00144 -0.00022 -0.00179 112 2S -0.00044 -0.04477 0.15738 -0.04220 -0.06061 113 3S 0.01838 -3.92600 7.15950 -1.97254 -2.41527 114 4PX -0.00238 -0.02956 0.05324 -0.03562 -0.01567 115 4PY -0.00042 0.03247 -0.08094 0.00798 0.01216 116 4PZ -0.00170 0.04557 -0.04063 0.00726 0.04385 117 5PX 0.12429 0.62280 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4PY 0.07685 -0.02408 -0.00914 0.00366 0.03868 138 4PZ -0.04412 0.01680 -0.02631 -0.02150 0.00891 139 5PX -0.15152 -0.28949 -1.64382 -0.16092 -0.22872 140 5PY -1.57362 0.74090 0.41716 -0.40982 -1.14309 141 5PZ 0.76684 -0.56892 1.02043 0.76339 -0.02427 142 6PX -0.16325 -0.00574 -0.41454 0.22393 -0.03705 143 6PY 2.54859 -0.02990 0.00086 0.22938 -0.78200 144 6PZ -1.80642 -0.00854 0.14896 0.44971 0.16003 145 7D 0 0.05723 -0.04933 0.07331 0.02589 -0.00801 146 7D+1 0.01980 -0.06546 -0.02766 -0.03871 -0.06953 147 7D-1 -0.02518 -0.03803 -0.02384 -0.01480 0.06127 148 7D+2 0.04330 -0.05475 -0.03244 0.01915 0.05071 149 7D-2 -0.03769 -0.01703 0.06175 -0.00421 0.01834 150 8D 0 0.02016 -0.01672 0.03332 0.01171 0.00521 151 8D+1 0.00324 -0.02776 -0.01273 -0.01930 -0.01884 152 8D-1 -0.00848 -0.01809 -0.01235 -0.01132 0.01293 153 8D+2 0.01427 -0.01707 -0.01325 0.00833 0.02410 154 8D-2 -0.01779 -0.01106 0.03250 -0.00378 -0.00157 155 8 Cu 1S -0.00371 0.01499 -0.00109 -0.00074 -0.00178 156 2S -0.00156 -0.04526 -0.11598 -0.11356 -0.06191 157 3S 0.51272 -3.90749 -5.26393 -5.24502 -2.47822 158 4PX -0.01618 0.05817 0.05295 0.05182 0.04882 159 4PY 0.01212 0.01723 0.05203 0.02727 0.00146 160 4PZ -0.01333 -0.01778 -0.02727 -0.05187 -0.00231 161 5PX 0.55958 -1.26102 -1.54436 -1.52756 -1.31645 162 5PY -0.39729 -0.34531 -1.30223 -0.79125 -0.02759 163 5PZ 0.47890 0.35987 0.79912 1.29968 0.04989 164 6PX -0.85735 -0.44867 -0.59251 -0.57681 -0.26117 165 6PY 0.52993 -0.30546 -0.31329 -0.11539 0.04743 166 6PZ -0.97659 0.32554 0.12991 0.33073 -0.03580 167 7D 0 -0.06425 0.03568 -0.01264 0.02424 0.03908 168 7D+1 0.02948 0.00968 -0.00933 0.06505 0.02798 169 7D-1 -0.01575 0.03998 0.03886 0.03471 -0.05569 170 7D+2 0.06022 -0.05726 -0.01994 0.00341 -0.07327 171 7D-2 -0.04110 -0.00589 -0.06254 0.00832 -0.02812 172 8D 0 -0.01778 0.00463 0.00836 0.00301 0.00324 173 8D+1 0.01063 0.01049 0.01443 0.01804 0.00752 174 8D-1 0.00323 0.00046 0.01423 0.01416 0.00274 175 8D+2 0.02478 -0.00859 -0.00812 -0.01130 -0.00577 176 8D-2 -0.00807 -0.01047 -0.01805 -0.01395 -0.00748 177 9 C 1S -0.00010 0.03021 -0.00012 -0.00006 -0.01075 178 2S 0.00058 -0.11834 -0.00038 0.00042 -0.00757 179 3S 0.00054 -0.15233 0.00667 -0.00087 0.52378 180 4PX -0.15811 0.01363 -0.02142 -0.02033 0.00114 181 4PY -0.11212 -0.03033 0.01106 -0.02071 -0.00294 182 4PZ -0.03703 0.02623 0.02337 -0.01102 -0.00232 183 5PX -0.25020 -0.11376 0.22255 0.23468 -0.18407 184 5PY -0.18368 0.22875 -0.10751 0.22605 0.37316 185 5PZ -0.05519 -0.19804 -0.23603 0.11923 -0.34051 186 10 O 1S 0.00021 -0.00551 0.00008 0.00000 0.00780 187 2S -0.00012 0.00294 -0.00002 -0.00004 -0.04609 188 3S -0.00412 0.12411 -0.00188 0.00032 0.05708 189 4PX 0.07190 -0.01731 -0.02723 -0.02663 0.00076 190 4PY 0.05101 0.03554 0.01291 -0.02591 -0.00205 191 4PZ 0.01656 -0.03395 0.02899 -0.01325 0.00118 192 5PX 0.07670 -0.01003 -0.03526 -0.03886 0.02301 193 5PY 0.05392 0.02110 0.01634 -0.03719 -0.04607 194 5PZ 0.01849 -0.02065 0.03845 -0.01967 0.04432 136 137 138 139 140 V V V V V EIGENVALUES -- 0.32175 0.32185 0.34635 0.39753 0.39839 1 1 Cu 1S 0.00256 -0.01632 0.01027 -0.00966 0.02618 2 2S 0.01177 -0.06708 -0.07238 -0.03351 0.09448 3 3S -0.22685 1.66690 -3.95756 0.14883 -0.24607 4 4PX -0.00980 0.00151 -0.02350 -0.00878 0.00139 5 4PY 0.00370 -0.00877 -0.04849 -0.00560 0.02128 6 4PZ 0.00610 0.00760 -0.02017 0.00546 0.00277 7 5PX 0.70967 -0.02475 0.74473 0.34851 -0.01974 8 5PY -0.17555 0.27164 0.59550 -0.10458 0.08879 9 5PZ -0.46898 -0.34819 0.85481 -0.15510 -0.29589 10 6PX 0.07709 -0.03531 0.41570 -0.41086 -0.64090 11 6PY 0.00743 -0.16291 0.39163 -0.06426 0.47589 12 6PZ -0.05480 -0.03363 0.50446 0.65311 -0.54555 13 7D 0 0.04074 0.04097 0.00065 0.03325 0.02053 14 7D+1 -0.02767 0.05203 0.01461 -0.02732 0.02616 15 7D-1 -0.00279 0.04024 0.00667 0.00159 -0.00851 16 7D+2 -0.03011 0.03042 -0.00884 -0.01334 -0.01711 17 7D-2 0.00398 0.02553 0.01066 0.01184 0.00696 18 8D 0 0.01994 0.00330 -0.02021 -0.00822 0.01219 19 8D+1 -0.00525 -0.00443 -0.02272 0.00812 -0.01474 20 8D-1 0.01319 -0.00665 -0.00710 -0.00419 0.02013 21 8D+2 -0.01545 -0.00345 -0.02244 -0.01346 0.03837 22 8D-2 -0.00893 -0.00822 -0.00063 -0.00428 -0.00350 23 2 Cu 1S -0.01290 -0.01057 0.01058 -0.00429 -0.00531 24 2S -0.23808 -0.19163 0.14241 -0.08119 -0.09507 25 3S -8.85501 -7.08017 4.14392 -3.14126 -3.62400 26 4PX -0.08156 -0.06724 0.01236 -0.01215 -0.01445 27 4PY -0.04004 -0.04349 0.03202 -0.02316 -0.02270 28 4PZ 0.05256 0.02895 -0.03098 0.01836 0.02561 29 5PX 2.49237 2.09998 0.35439 0.49968 0.63297 30 5PY 0.57670 1.60464 -1.56439 0.42465 0.74303 31 5PZ -1.79610 -0.16270 1.42343 -0.69283 -0.49680 32 6PX 1.07306 0.87741 -0.15017 0.13232 0.15458 33 6PY 0.64421 0.41055 -0.21806 0.96657 0.48873 34 6PZ -0.53988 -0.53280 0.21850 -0.31818 -1.02040 35 7D 0 -0.02190 0.07021 0.05675 0.00506 -0.00948 36 7D+1 0.07413 -0.04064 -0.01462 0.03273 -0.01889 37 7D-1 -0.00014 -0.00271 -0.05235 0.01828 0.02398 38 7D+2 -0.05793 -0.00751 -0.10523 0.01493 0.00059 39 7D-2 0.02485 -0.07764 0.02529 0.02300 -0.02708 40 8D 0 0.00472 0.01226 0.00874 -0.00824 0.01220 41 8D+1 0.03503 -0.00397 0.00215 0.00168 0.01092 42 8D-1 -0.00175 -0.00074 -0.00778 -0.00925 -0.01215 43 8D+2 -0.01735 -0.01231 -0.01727 -0.01223 -0.00136 44 8D-2 -0.00327 -0.03379 -0.00013 -0.00989 -0.00430 45 3 Cu 1S -0.00033 0.00069 0.02891 -0.00058 0.00033 46 2S -0.00169 0.00377 0.11452 -0.00238 0.00143 47 3S -0.03255 0.05337 0.37704 -0.02126 0.01451 48 4PX -0.01148 -0.01021 -0.00468 -0.00298 -0.00412 49 4PY 0.00390 -0.01041 0.00953 0.00182 -0.00327 50 4PZ 0.01088 -0.00710 -0.00847 0.00406 -0.00163 51 5PX 0.63663 0.55958 0.21168 0.08801 0.12271 52 5PY -0.21921 0.59343 -0.43789 -0.05060 0.09373 53 5PZ -0.60136 0.38044 0.38305 -0.12515 0.05003 54 6PX 0.06055 0.05598 0.01021 -0.29112 -0.35188 55 6PY -0.01768 0.05513 -0.02330 0.18905 -0.29524 56 6PZ -0.05800 0.03666 0.02491 0.35771 -0.12656 57 7D 0 -0.04696 0.02241 -0.00838 0.01269 0.00516 58 7D+1 0.01702 0.01264 -0.02600 -0.01114 0.02369 59 7D-1 0.00458 0.00158 0.05082 0.01242 0.01607 60 7D+2 0.01159 0.04551 0.01980 -0.01094 -0.01614 61 7D-2 -0.01777 -0.01677 0.02614 -0.02461 0.00743 62 8D 0 -0.02323 0.01295 0.00345 -0.01040 -0.00260 63 8D+1 0.00747 0.01301 0.01315 0.00750 -0.01404 64 8D-1 0.00701 0.00290 -0.02588 -0.00727 -0.01012 65 8D+2 0.00377 0.02121 -0.01068 0.00704 0.01231 66 8D-2 -0.01420 -0.00698 -0.01347 0.01473 -0.00570 67 4 Cu 1S 0.01492 -0.00570 0.01119 0.00641 -0.00115 68 2S 0.28151 -0.10476 0.15415 0.11962 -0.01946 69 3S 10.56571 -3.89507 4.56816 4.63281 -0.73401 70 4PX -0.07091 0.01430 -0.02782 -0.02590 0.00742 71 4PY 0.08070 -0.03760 0.04244 0.03943 -0.00413 72 4PZ 0.06393 -0.02657 -0.00284 0.00202 0.00011 73 5PX 2.24239 0.34958 0.95838 0.81699 0.09110 74 5PY -1.94949 1.49185 -1.74302 -1.05166 0.31184 75 5PZ -2.10090 1.01958 1.00653 -0.34978 0.10810 76 6PX 0.83963 -0.41125 0.23587 0.64529 -0.61469 77 6PY -1.11533 0.34538 -0.33434 -1.20700 -0.15101 78 6PZ -0.85563 0.30850 -0.06427 0.29175 -0.12964 79 7D 0 0.01428 -0.02724 -0.10545 -0.01044 -0.01236 80 7D+1 -0.05923 -0.03236 0.05227 -0.00460 -0.04085 81 7D-1 0.02871 -0.06811 -0.04032 -0.01209 -0.02747 82 7D+2 0.03868 0.09573 -0.02860 -0.01086 0.00957 83 7D-2 -0.02886 -0.02256 -0.04120 -0.02557 0.00927 84 8D 0 -0.00247 -0.00751 -0.01375 -0.00078 0.00338 85 8D+1 -0.03041 -0.01271 0.00987 -0.00808 0.01275 86 8D-1 0.02369 -0.02850 -0.00905 0.01844 0.00236 87 8D+2 0.00731 0.01690 -0.00420 0.00786 0.00994 88 8D-2 -0.01340 0.00210 -0.00385 0.00574 -0.00751 89 5 Cu 1S 0.00044 -0.00014 0.00021 -0.00019 0.00012 90 2S 0.00323 -0.00081 -0.01079 -0.00249 0.00193 91 3S 0.00001 0.07790 0.00836 -0.07485 0.06319 92 4PX -0.02726 -0.02570 -0.05248 -0.00940 -0.01412 93 4PY 0.00812 -0.02553 0.10662 0.00518 -0.01068 94 4PZ 0.02754 -0.01780 -0.09679 0.01377 -0.00576 95 5PX 0.98652 0.89403 1.36142 0.62027 0.83492 96 5PY -0.31337 0.94011 -2.79269 -0.38329 0.68407 97 5PZ -0.96681 0.60126 2.49134 -0.81060 0.31192 98 6PX -0.39944 -0.33480 0.25659 2.11511 2.74621 99 6PY 0.15049 -0.38648 -0.55821 -1.38136 2.30952 100 6PZ 0.35363 -0.21255 0.42221 -2.62222 1.00452 101 7D 0 0.07708 -0.04777 0.00204 -0.01118 -0.00017 102 7D+1 -0.02480 -0.05868 0.00243 0.00569 -0.00676 103 7D-1 -0.03106 -0.01857 -0.00373 -0.00382 -0.00605 104 7D+2 -0.00683 -0.07140 -0.00034 0.00453 0.01146 105 7D-2 0.06243 0.01902 -0.00150 0.00777 -0.00527 106 8D 0 0.01285 -0.01278 0.00034 -0.03138 0.01395 107 8D+1 -0.00307 -0.02560 0.00173 0.00294 0.02957 108 8D-1 -0.01496 -0.01002 -0.00248 0.01343 0.01323 109 8D+2 0.00460 -0.01102 -0.00086 -0.00532 0.02591 110 8D-2 0.02594 -0.00048 -0.00135 -0.02887 -0.01077 111 6 Cu 1S -0.01638 0.00624 0.01093 0.02701 -0.00470 112 2S -0.06183 0.02168 -0.07144 0.10504 -0.01925 113 3S 1.83448 -0.75057 -3.95423 0.00761 -0.03410 114 4PX 0.00072 -0.01118 -0.02131 0.00356 -0.00924 115 4PY -0.01009 -0.00288 0.01941 -0.00175 -0.00510 116 4PZ 0.00518 -0.00288 0.04934 -0.02553 0.00339 117 5PX 0.07606 0.74981 0.67282 -0.12112 0.36653 118 5PY 0.48797 0.31690 -0.85474 0.31215 0.16629 119 5PZ -0.17139 0.18327 -0.69720 -0.02190 0.05524 120 6PX -0.03507 0.09994 0.39208 -0.54828 -0.54625 121 6PY 0.06809 0.02451 -0.45553 0.69106 -0.55300 122 6PZ 0.18251 -0.06321 -0.41372 -0.37162 -0.04926 123 7D 0 -0.04107 0.01520 0.00494 0.00858 -0.00405 124 7D+1 -0.02776 0.00372 -0.01005 -0.00564 -0.01107 125 7D-1 0.04576 -0.01157 0.00897 -0.00829 0.00146 126 7D+2 -0.03044 -0.04453 -0.00436 -0.02133 -0.03909 127 7D-2 -0.04145 0.03858 -0.01810 -0.02957 0.02413 128 8D 0 0.00026 0.00456 0.02608 -0.04259 0.00890 129 8D+1 0.00971 0.00877 0.00247 0.00119 0.00466 130 8D-1 -0.00334 0.01404 -0.01012 0.02455 -0.00184 131 8D+2 -0.00927 -0.02191 0.00838 0.01011 0.00212 132 8D-2 0.00416 0.00645 0.02240 0.01503 -0.00483 133 7 Cu 1S -0.00295 0.01696 0.01084 -0.00253 0.00675 134 2S -0.05267 0.30456 0.13563 -0.04575 0.11895 135 3S -1.93347 11.20614 3.75415 -1.74311 4.49862 136 4PX 0.00252 -0.07764 -0.02371 0.01320 -0.02570 137 4PY 0.01189 -0.06130 0.00751 -0.00101 0.00063 138 4PZ 0.02329 -0.08909 -0.03479 0.01231 -0.03824 139 5PX 0.68568 2.28362 0.85874 -0.11586 0.87435 140 5PY -0.50978 2.03689 -1.21076 -0.10188 0.22360 141 5PZ -1.18551 2.29927 1.45335 -0.55125 1.00067 142 6PX -0.25788 0.96405 0.16195 -0.70214 0.53087 143 6PY -0.11454 0.81542 -0.02909 0.21278 -0.30160 144 6PZ -0.13625 1.17289 0.23880 -0.09758 1.18327 145 7D 0 -0.08353 -0.02154 0.06875 -0.00767 0.01319 146 7D+1 0.02098 0.02753 0.03625 -0.01399 0.02418 147 7D-1 -0.05873 0.03992 -0.05158 -0.02377 -0.02095 148 7D+2 0.06827 0.00207 0.07522 0.01225 0.00907 149 7D-2 0.03876 0.04972 -0.05835 0.04094 0.00833 150 8D 0 -0.01382 -0.00084 0.00871 -0.00906 -0.00674 151 8D+1 -0.00025 0.01496 0.00271 0.00758 -0.00410 152 8D-1 -0.02363 0.02729 -0.01283 -0.00067 0.01905 153 8D+2 0.01500 0.00654 0.00892 0.00063 0.00577 154 8D-2 0.01761 0.02638 -0.01201 -0.01430 0.00599 155 8 Cu 1S 0.01307 0.01114 0.01048 -0.01750 -0.02145 156 2S 0.05265 0.04127 -0.07306 -0.06313 -0.08093 157 3S -1.36737 -1.26127 -3.97683 0.17447 0.07139 158 4PX -0.00365 -0.00130 0.05714 0.01371 0.01864 159 4PY 0.01120 -0.00140 0.00585 0.00237 -0.00791 160 4PZ -0.00001 -0.01149 -0.00627 0.00815 -0.00176 161 5PX 0.08817 0.05785 -1.03033 -0.00594 -0.03496 162 5PY -0.61183 0.26130 -0.58028 -0.34755 0.00359 163 5PZ -0.18551 0.68423 0.53333 -0.10421 0.35621 164 6PX -0.13862 -0.13533 -0.61264 0.05669 0.03394 165 6PY -0.03679 0.04968 -0.28298 -0.03822 -0.89162 166 6PZ -0.05007 0.05437 0.32315 0.83527 0.17329 167 7D 0 0.03044 -0.03664 -0.00496 0.03489 -0.02209 168 7D+1 0.03704 0.04703 -0.00769 -0.00107 0.00565 169 7D-1 0.02036 0.01812 -0.01217 0.02239 0.02927 170 7D+2 0.01493 -0.02103 0.01385 0.01425 -0.01956 171 7D-2 -0.05450 -0.02818 0.00716 -0.00569 0.00157 172 8D 0 0.00752 -0.01419 -0.00678 -0.01346 -0.00834 173 8D+1 -0.01588 0.01030 0.02066 0.01106 0.01879 174 8D-1 0.00089 0.00161 0.01540 -0.01870 -0.02268 175 8D+2 0.00977 -0.00220 0.01299 0.01128 0.01937 176 8D-2 -0.00639 0.01669 -0.02334 -0.01736 -0.01789 177 9 C 1S -0.00115 0.00138 0.08184 -0.00101 0.00052 178 2S 0.00018 -0.00058 -0.08480 0.00273 -0.00166 179 3S 0.03945 -0.04392 -2.57458 0.02697 -0.01305 180 4PX -0.19215 -0.16862 -0.02680 0.47441 0.60569 181 4PY 0.06627 -0.18232 0.05568 -0.30708 0.50464 182 4PZ 0.17946 -0.11174 -0.05635 -0.59315 0.22340 183 5PX 0.05642 0.04583 -0.00643 -1.05720 -1.35380 184 5PY -0.01943 0.05923 0.03290 0.68635 -1.13035 185 5PZ -0.05297 0.02706 0.01147 1.31575 -0.49763 186 10 O 1S 0.00070 -0.00095 -0.04629 0.00023 -0.00009 187 2S -0.00164 0.00193 0.10242 -0.00071 0.00031 188 3S -0.00945 0.01451 0.64727 -0.00209 0.00050 189 4PX 0.02238 0.01783 -0.06112 0.08108 0.10200 190 4PY -0.00945 0.02343 0.12179 -0.05331 0.08597 191 4PZ -0.01786 0.01000 -0.11429 -0.09889 0.03684 192 5PX 0.02190 0.01464 -0.14292 0.07274 0.09230 193 5PY -0.01116 0.02411 0.28501 -0.04878 0.07858 194 5PZ -0.01447 0.00657 -0.26508 -0.08731 0.03330 141 142 143 144 145 V V V V V EIGENVALUES -- 0.53540 0.64052 0.65949 0.66001 0.67440 1 1 Cu 1S -0.02293 0.18224 0.06150 -0.00592 -0.12759 2 2S -0.02845 0.36242 0.09334 -0.00973 -0.20662 3 3S -0.21118 -2.79891 -0.88711 0.11646 3.23641 4 4PX -0.00097 -0.00264 -0.00358 0.00368 0.00223 5 4PY 0.00616 -0.00113 0.00567 -0.00079 0.00426 6 4PZ -0.00288 -0.00345 -0.00660 -0.00217 0.00120 7 5PX -0.04474 0.31931 0.20936 -0.30887 -0.39875 8 5PY 0.06598 0.28074 0.09184 0.03849 -0.45593 9 5PZ -0.07769 0.38664 0.29929 0.18545 -0.50393 10 6PX -0.08891 0.34693 0.03134 0.05658 -0.15215 11 6PY 0.35826 0.30184 -0.38687 0.00654 -0.16421 12 6PZ -0.20744 0.40637 0.13781 -0.06428 -0.31833 13 7D 0 -0.02399 -0.02459 -0.01982 -0.08341 -0.04609 14 7D+1 -0.00923 -0.01515 -0.03018 0.04286 0.09282 15 7D-1 -0.00828 0.02872 -0.16322 0.02730 -0.00117 16 7D+2 -0.03608 -0.01893 -0.06513 0.03707 -0.08592 17 7D-2 0.00617 0.02382 -0.10614 -0.04586 0.09480 18 8D 0 0.03560 0.01708 0.02226 0.07774 0.06745 19 8D+1 0.02038 -0.00787 0.02217 -0.04365 -0.10111 20 8D-1 0.02101 -0.05814 0.22635 -0.04673 0.03510 21 8D+2 0.05275 0.01154 0.09858 -0.02732 0.11518 22 8D-2 -0.00129 -0.04474 0.14252 0.06521 -0.10996 23 2 Cu 1S 0.02016 -0.03651 0.00833 -0.02400 0.08870 24 2S 0.01661 -0.05091 -0.01438 0.01485 0.15395 25 3S -0.67102 2.16293 -0.96898 2.08969 -2.09754 26 4PX -0.00547 -0.00418 -0.00310 0.00588 0.00334 27 4PY -0.00186 -0.00025 -0.01630 0.01089 -0.00292 28 4PZ 0.00211 -0.00005 -0.00149 -0.01916 0.01005 29 5PX 0.00813 -0.01893 0.24486 -0.48220 0.11229 30 5PY 0.16600 -0.04187 0.56421 -0.18792 0.12237 31 5PZ -0.16107 0.06629 0.19171 0.56611 -0.35742 32 6PX -0.00611 0.24748 0.34620 -0.67179 0.01508 33 6PY -0.10203 -0.01134 0.40307 0.37680 -0.00178 34 6PZ 0.11605 0.03147 0.55685 0.11253 -0.42887 35 7D 0 -0.00431 -0.08587 -0.11914 -0.03171 0.08319 36 7D+1 0.02984 -0.10686 -0.04143 -0.06179 -0.08873 37 7D-1 0.02857 -0.09681 0.08265 -0.14530 0.07655 38 7D+2 0.00757 0.13859 -0.05114 -0.08173 0.07720 39 7D-2 -0.03015 0.09730 -0.06815 0.00639 0.05600 40 8D 0 -0.00457 0.11684 0.18433 0.04834 -0.12626 41 8D+1 -0.03617 0.15668 0.05114 0.06592 0.10509 42 8D-1 -0.02417 0.15349 -0.11206 0.19616 -0.11694 43 8D+2 0.00885 -0.18596 0.07618 0.12520 -0.11144 44 8D-2 0.03597 -0.14534 0.07480 -0.00462 -0.10621 45 3 Cu 1S -0.03242 0.13050 0.00354 0.00158 0.00136 46 2S -0.06684 0.27930 0.00437 0.00181 0.00145 47 3S 0.43864 -1.54064 -0.07978 -0.03671 -0.03303 48 4PX 0.00168 0.00070 0.00024 -0.00048 0.00357 49 4PY -0.00338 -0.00140 0.00009 0.00004 0.00366 50 4PZ 0.00318 0.00134 0.00047 0.00054 0.00223 51 5PX -0.00307 -0.09434 -0.00198 -0.01598 -0.04227 52 5PY 0.00643 0.18880 0.02880 0.00963 -0.03265 53 5PZ -0.00643 -0.17699 -0.00925 -0.00022 -0.03110 54 6PX 0.01518 -0.18227 -0.00680 -0.01178 0.17146 55 6PY -0.03174 0.36006 0.00283 0.00808 0.18436 56 6PZ 0.03910 -0.34585 -0.00034 0.01215 0.10460 57 7D 0 0.00163 0.01376 0.00659 -0.04103 -0.07869 58 7D+1 0.00518 0.04936 0.08779 -0.00194 -0.04895 59 7D-1 -0.01047 -0.09302 0.03737 -0.05758 -0.00079 60 7D+2 -0.00411 -0.03747 -0.02014 0.04900 -0.16899 61 7D-2 -0.00557 -0.04732 0.05172 0.06876 0.06686 62 8D 0 -0.00065 -0.02113 -0.00834 0.06206 0.10125 63 8D+1 -0.00227 -0.07421 -0.13138 0.00169 0.06702 64 8D-1 0.00470 0.14035 -0.05363 0.08677 0.00338 65 8D+2 0.00181 0.05646 0.03405 -0.07404 0.21424 66 8D-2 0.00252 0.07150 -0.07718 -0.10122 -0.08360 67 4 Cu 1S 0.02000 -0.03488 0.01296 0.02523 0.04450 68 2S 0.01606 -0.05043 -0.01145 -0.00917 0.07740 69 3S -0.66648 2.05696 -1.21358 -2.02466 -1.04735 70 4PX 0.00313 0.00174 -0.00254 0.01754 0.00704 71 4PY -0.00353 -0.00184 -0.01759 -0.01338 0.00033 72 4PZ -0.00399 -0.00379 -0.00028 0.00326 0.00410 73 5PX -0.11402 0.03197 0.17067 -0.65658 -0.27097 74 5PY 0.18848 -0.03625 0.60770 0.33939 0.03380 75 5PZ -0.07405 0.02010 0.22070 0.19824 -0.04047 76 6PX 0.08684 -0.06129 0.47328 -0.45496 -0.39052 77 6PY -0.13685 0.04880 0.35977 -0.22520 -0.08631 78 6PZ 0.06712 0.25395 0.50171 0.58365 -0.10414 79 7D 0 0.02847 0.05665 -0.00400 0.06143 -0.02024 80 7D+1 0.00873 -0.12690 -0.10553 0.04671 -0.00218 81 7D-1 -0.01509 0.12057 -0.02571 0.07310 0.04599 82 7D+2 0.01272 -0.03535 -0.03975 0.10846 0.13651 83 7D-2 0.03802 -0.14565 0.13217 0.09725 -0.03985 84 8D 0 -0.01904 -0.06722 0.00507 -0.08095 0.02161 85 8D+1 -0.02094 0.17630 0.14685 -0.05110 -0.03009 86 8D-1 0.02891 -0.16766 0.01964 -0.10859 -0.09120 87 8D+2 -0.01037 0.05803 0.07824 -0.16271 -0.18754 88 8D-2 -0.03939 0.22253 -0.18347 -0.11935 0.05661 89 5 Cu 1S -0.06500 0.01162 0.00003 0.00003 -0.00028 90 2S -0.21025 0.01109 0.00356 0.00171 -0.00004 91 3S 2.91910 3.48398 -0.08840 -0.05101 0.01577 92 4PX 0.01730 0.00472 -0.00141 0.00241 0.01658 93 4PY -0.03446 -0.00929 -0.00298 -0.00020 0.01711 94 4PZ 0.03223 0.00886 -0.00118 -0.00115 0.01037 95 5PX -0.00685 -0.01374 0.18877 -0.37099 -0.35173 96 5PY 0.01115 0.03735 0.35825 0.05481 -0.36157 97 5PZ -0.01750 -0.01550 0.20512 0.22553 -0.22263 98 6PX 0.14211 -0.09186 -0.28447 0.57453 -0.48610 99 6PY -0.30563 0.17282 -0.53085 -0.09391 -0.51922 100 6PZ 0.22854 -0.17279 -0.32491 -0.36597 -0.29287 101 7D 0 -0.02202 0.01042 0.13384 0.13067 0.02220 102 7D+1 -0.07204 0.01366 0.12124 -0.07214 0.20852 103 7D-1 0.14261 -0.02021 0.01917 -0.08591 0.10686 104 7D+2 0.05691 -0.00301 0.14053 -0.03914 -0.12367 105 7D-2 0.07588 -0.00647 -0.00915 0.14985 0.09095 106 8D 0 0.03394 -0.01857 -0.19787 -0.19182 -0.03940 107 8D+1 0.11158 -0.03112 -0.18178 0.10604 -0.34244 108 8D-1 -0.22130 0.05167 -0.02826 0.12937 -0.17519 109 8D+2 -0.08849 0.01320 -0.20669 0.05622 0.19535 110 8D-2 -0.11802 0.02122 0.01241 -0.22399 -0.14642 111 6 Cu 1S -0.02391 0.18041 -0.03443 -0.04749 0.04222 112 2S -0.02957 0.36006 -0.05313 -0.07178 0.06883 113 3S -0.22244 -2.77880 0.52070 0.65415 -1.05870 114 4PX -0.00099 -0.00243 -0.00121 0.00526 0.00158 115 4PY 0.00306 0.00306 -0.00595 -0.00454 0.00183 116 4PZ -0.00607 0.00166 0.00205 0.00471 0.00164 117 5PX -0.04382 0.30480 0.12882 -0.32626 0.27124 118 5PY 0.08231 -0.36721 0.32395 0.12224 -0.06010 119 5PZ -0.06315 -0.29810 0.10456 0.04920 -0.13349 120 6PX -0.09405 0.32819 -0.09569 0.01866 0.42039 121 6PY 0.24129 -0.40570 0.04405 0.14428 0.14418 122 6PZ -0.36213 -0.34809 -0.21022 -0.30023 0.01135 123 7D 0 0.04413 0.02746 -0.04033 -0.04344 -0.08515 124 7D+1 -0.00403 -0.02937 -0.08831 -0.05891 -0.12559 125 7D-1 -0.01142 0.03422 0.08486 0.14984 -0.12073 126 7D+2 0.00257 0.01228 -0.07139 0.06720 0.09784 127 7D-2 0.00839 0.01666 0.02027 -0.04814 0.01964 128 8D 0 -0.06335 -0.01820 0.05837 0.06155 0.12420 129 8D+1 -0.00182 0.05346 0.12243 0.07769 0.20791 130 8D-1 0.02629 -0.06817 -0.10971 -0.21497 0.17499 131 8D+2 -0.00454 -0.01039 0.05783 -0.07573 -0.14137 132 8D-2 -0.01890 0.00408 -0.02422 0.04257 -0.02083 133 7 Cu 1S 0.01986 -0.03754 -0.02122 -0.00125 -0.13305 134 2S 0.01586 -0.05049 0.02682 -0.00521 -0.23254 135 3S -0.67048 2.25209 2.20954 -0.05154 3.10518 136 4PX 0.00327 0.00111 -0.01322 0.01161 -0.00379 137 4PY 0.00390 0.00389 0.00283 -0.00216 0.00933 138 4PZ 0.00368 0.00039 -0.02016 -0.00702 -0.00962 139 5PX -0.11638 0.05316 0.43555 -0.49580 0.26037 140 5PY 0.08296 -0.00405 0.26872 0.07798 -0.01872 141 5PZ -0.18267 0.09086 0.58704 0.31672 0.43515 142 6PX 0.07175 -0.06708 0.11979 -0.59704 0.16125 143 6PY -0.04667 -0.21731 0.78662 0.07207 -0.12444 144 6PZ 0.12001 -0.02328 0.02097 0.42632 0.38199 145 7D 0 -0.02461 0.00592 0.07954 -0.09098 -0.02589 146 7D+1 -0.03942 0.16610 0.15297 0.04039 0.04367 147 7D-1 -0.01106 0.11215 -0.04891 0.06589 -0.15784 148 7D+2 -0.01965 -0.05029 0.02503 0.01405 -0.07259 149 7D-2 -0.00617 0.12119 -0.03232 -0.11552 -0.08599 150 8D 0 0.01912 -0.01914 -0.10572 0.14811 0.03677 151 8D+1 0.04201 -0.25015 -0.19908 -0.06432 -0.07277 152 8D-1 0.02524 -0.15288 0.08105 -0.08208 0.22702 153 8D+2 0.01399 0.06362 -0.03361 -0.03585 0.11576 154 8D-2 0.01913 -0.16716 0.05451 0.15262 0.12933 155 8 Cu 1S -0.02336 0.18098 -0.03158 0.05099 0.08399 156 2S -0.02897 0.36064 -0.04904 0.07679 0.13663 157 3S -0.21619 -2.78190 0.49828 -0.70094 -2.12138 158 4PX -0.00459 0.00286 0.00072 -0.00205 0.00309 159 4PY 0.00370 0.00232 -0.00584 0.00463 0.00155 160 4PZ -0.00346 -0.00239 -0.00012 -0.00704 0.00129 161 5PX -0.02631 -0.45268 0.12455 -0.18272 -0.43879 162 5PY 0.07950 -0.23173 0.32150 -0.06622 -0.09067 163 5PZ -0.07467 0.25138 0.12728 0.29875 0.28523 164 6PX -0.24898 -0.50228 -0.13267 0.27278 -0.17494 165 6PY 0.26247 -0.25730 0.04579 -0.19102 0.11489 166 6PZ -0.23846 0.25600 -0.15917 0.13138 0.36882 167 7D 0 -0.01584 -0.02430 -0.10149 -0.01711 0.05922 168 7D+1 0.02285 -0.00663 -0.06435 0.10882 -0.11940 169 7D-1 0.00059 0.02834 0.02578 -0.05025 0.05626 170 7D+2 0.02680 0.03811 -0.02198 -0.08339 -0.07590 171 7D-2 -0.02452 0.00247 0.06311 -0.12403 -0.11525 172 8D 0 0.01909 0.03283 0.10673 0.01075 -0.06853 173 8D+1 -0.04084 0.03698 0.10142 -0.13940 0.20094 174 8D-1 -0.00289 -0.02331 -0.04372 0.08734 -0.07169 175 8D+2 -0.03169 -0.05462 0.01473 0.10193 0.09092 176 8D-2 0.04359 -0.03068 -0.06946 0.17764 0.16068 177 9 C 1S 0.03242 0.01985 -0.00278 -0.00121 -0.00033 178 2S -0.18634 0.31617 -0.02055 -0.01172 0.00078 179 3S -2.13859 -0.62654 0.02531 0.01346 -0.00161 180 4PX -0.36382 -0.16623 0.01046 -0.00941 0.00127 181 4PY 0.73489 0.33709 0.00017 -0.00300 0.00498 182 4PZ -0.66928 -0.30318 0.01533 0.01201 -0.00049 183 5PX 0.17698 0.12227 -0.13029 0.21089 0.06620 184 5PY -0.35417 -0.25667 -0.15934 -0.01414 0.07180 185 5PZ 0.32936 0.21167 -0.16295 -0.15736 0.04065 186 10 O 1S -0.09070 -0.00703 -0.00080 -0.00041 -0.00022 187 2S 0.25250 0.05222 -0.00187 -0.00074 0.00040 188 3S 0.84300 0.06433 0.01574 0.00712 0.00283 189 4PX -0.02552 -0.16552 -0.20540 0.41093 -0.00622 190 4PY 0.05381 0.32029 -0.37551 -0.06338 -0.00684 191 4PZ -0.04415 -0.31842 -0.23667 -0.26258 -0.00126 192 5PX -0.49985 0.10865 0.31361 -0.62393 -0.00815 193 5PY 1.00546 -0.19839 0.56706 0.09496 -0.00441 194 5PZ -0.92375 0.22136 0.36221 0.39993 -0.01042 146 147 148 149 150 V V V V V EIGENVALUES -- 0.67486 0.67907 0.69858 0.70905 0.70984 1 1 Cu 1S 0.02842 -0.09178 0.00955 0.01192 -0.06903 2 2S 0.04699 -0.18294 -0.03213 0.02425 -0.14510 3 3S -0.66993 0.95171 -1.11410 -0.42865 2.43507 4 4PX 0.00175 0.00137 -0.00424 0.00089 0.00022 5 4PY -0.00116 -0.00365 -0.00624 -0.00051 0.00156 6 4PZ -0.00197 0.00258 -0.00438 -0.00072 -0.00042 7 5PX 0.22349 -0.15593 0.27320 0.35386 -0.24087 8 5PY 0.06563 -0.04930 0.07206 -0.06460 0.04765 9 5PZ 0.00872 -0.20054 0.38035 -0.13549 -0.46055 10 6PX 0.40120 -0.05157 -0.11892 0.03216 -0.49508 11 6PY -0.02716 -0.26444 0.46488 0.07408 -0.32364 12 6PZ -0.19941 -0.03471 -0.27966 0.13092 -0.59191 13 7D 0 -0.06523 -0.03906 -0.06960 -0.12111 -0.04464 14 7D+1 -0.00791 -0.05514 -0.13457 0.08122 -0.18964 15 7D-1 -0.12642 0.00300 0.03187 -0.00125 -0.06265 16 7D+2 0.11563 -0.01566 -0.02645 0.05711 0.07403 17 7D-2 0.12727 0.00698 0.01505 -0.00380 -0.09665 18 8D 0 0.09162 0.05594 0.08140 0.19648 0.09609 19 8D+1 0.00729 0.09765 0.18623 -0.13521 0.31854 20 8D-1 0.18790 0.00891 -0.06391 0.00554 0.10594 21 8D+2 -0.17039 0.01780 0.00749 -0.10334 -0.08947 22 8D-2 -0.20663 0.00340 -0.02449 0.00317 0.14865 23 2 Cu 1S 0.10409 0.02277 0.01161 0.16904 0.14306 24 2S 0.18353 0.01711 0.06058 0.20554 0.17291 25 3S -2.35891 -1.91154 0.88405 -6.60199 -5.60091 26 4PX 0.00368 -0.00079 -0.00476 -0.02395 -0.01984 27 4PY -0.01054 0.00010 0.01491 -0.01787 -0.00377 28 4PZ 0.00262 -0.00186 -0.01415 0.00645 0.01764 29 5PX 0.13476 0.14936 0.29049 1.31979 1.11824 30 5PY 0.37616 -0.11411 -0.61336 0.50851 0.64970 31 5PZ -0.13714 0.14669 0.58492 -0.73601 -0.40079 32 6PX 0.02531 0.05935 0.29400 0.87420 0.73477 33 6PY 0.45003 -0.02616 -0.59067 0.52235 0.42066 34 6PZ -0.02857 0.06355 0.57048 -0.51223 -0.44954 35 7D 0 -0.09468 -0.01384 -0.08398 0.00694 -0.02162 36 7D+1 -0.07662 0.11132 0.05461 -0.11921 0.17913 37 7D-1 0.08654 0.02350 -0.08374 -0.00881 -0.01172 38 7D+2 -0.01558 -0.00078 0.13461 0.01303 0.00678 39 7D-2 0.10475 -0.12594 -0.06530 -0.15160 0.13968 40 8D 0 0.13780 0.02050 0.13415 0.00635 0.04331 41 8D+1 0.13376 -0.17943 -0.09335 0.22660 -0.27845 42 8D-1 -0.13453 -0.04522 0.12112 -0.00377 0.00521 43 8D+2 0.02914 0.00137 -0.21606 -0.04675 -0.03729 44 8D-2 -0.13368 0.20110 0.10915 0.22687 -0.25720 45 3 Cu 1S 0.00493 -0.16839 -0.12344 -0.00124 -0.00378 46 2S 0.00900 -0.28919 -0.16511 -0.00079 -0.00620 47 3S -0.07385 2.81173 3.05996 0.03759 0.07755 48 4PX 0.00385 -0.00351 -0.00347 -0.00042 -0.00035 49 4PY -0.00166 0.00723 0.00697 0.00024 -0.00008 50 4PZ -0.00341 -0.00680 -0.00646 0.00017 -0.00031 51 5PX -0.04269 0.26135 0.31472 0.38410 0.33805 52 5PY 0.02785 -0.53084 -0.65018 -0.15088 0.35147 53 5PZ 0.02387 0.49758 0.61834 -0.34186 0.22578 54 6PX 0.18555 0.19688 0.00066 -0.00052 0.01069 55 6PY -0.06316 -0.38661 0.00282 0.00395 -0.00059 56 6PZ -0.19495 0.34517 0.00630 -0.00295 0.01038 57 7D 0 0.17903 0.01417 0.02454 0.04658 -0.05689 58 7D+1 -0.06157 0.03175 0.08809 -0.00572 -0.12447 59 7D-1 -0.02215 -0.05643 -0.16979 -0.07621 -0.05321 60 7D+2 -0.03918 -0.02354 -0.06977 0.02591 -0.04066 61 7D-2 0.06699 -0.02311 -0.09285 0.11886 -0.00816 62 8D 0 -0.22750 -0.01272 -0.02845 -0.10797 0.10685 63 8D+1 0.07712 -0.02581 -0.10821 0.02127 0.20985 64 8D-1 0.03318 0.03967 0.20581 0.12507 0.08536 65 8D+2 0.04792 0.01677 0.08465 -0.03408 0.09591 66 8D-2 -0.09086 0.01112 0.11409 -0.20357 0.00097 67 4 Cu 1S -0.13125 0.01678 0.02171 -0.20657 0.07755 68 2S -0.22918 0.00470 0.07394 -0.24882 0.09409 69 3S 3.08839 -1.82853 0.52200 8.13080 -3.03161 70 4PX -0.00194 -0.00071 -0.00774 -0.01578 0.01697 71 4PY 0.01014 0.00051 0.01434 0.02665 -0.00215 72 4PZ -0.00828 -0.00166 -0.01225 0.01960 -0.00554 73 5PX 0.20121 0.05084 0.26902 1.09296 -0.19118 74 5PY -0.45025 -0.11539 -0.56841 -1.19942 0.57504 75 5PZ -0.00906 0.21541 0.61120 -1.09118 0.45347 76 6PX 0.09169 0.01862 0.27433 0.76450 -0.29850 77 6PY -0.43408 -0.03994 -0.56258 -0.98356 0.34010 78 6PZ 0.10942 0.08915 0.60330 -0.65661 0.24963 79 7D 0 0.06375 0.10187 0.17975 -0.00232 0.07488 80 7D+1 0.08481 0.05083 -0.04990 0.06433 0.19517 81 7D-1 -0.15008 -0.11189 -0.03341 0.07673 0.13949 82 7D+2 0.00334 0.01571 -0.02134 -0.04010 -0.11954 83 7D-2 -0.05268 0.08329 -0.05822 0.00391 0.00984 84 8D 0 -0.10213 -0.16163 -0.29141 0.00584 -0.12711 85 8D+1 -0.13237 -0.08196 0.07941 -0.14415 -0.31719 86 8D-1 0.21237 0.17492 0.05171 -0.07628 -0.25416 87 8D+2 0.00306 -0.02724 0.02862 0.07416 0.19206 88 8D-2 0.08644 -0.13822 0.07987 -0.00876 -0.01290 89 5 Cu 1S -0.00006 0.00977 -0.02856 0.00027 -0.00134 90 2S 0.00114 -0.02678 -0.02910 0.00061 -0.00144 91 3S 0.00547 -0.11274 -1.68191 -0.07355 0.04746 92 4PX 0.01823 -0.00980 -0.01472 -0.00988 -0.00847 93 4PY -0.00750 0.02082 0.03019 0.00425 -0.00863 94 4PZ -0.01662 -0.01963 -0.02817 0.00805 -0.00551 95 5PX -0.39374 0.27046 0.21013 0.39732 0.33735 96 5PY 0.16512 -0.55827 -0.45158 -0.15629 0.37196 97 5PZ 0.35277 0.54487 0.42540 -0.34839 0.21049 98 6PX -0.48773 -0.46414 0.40297 0.33913 0.27276 99 6PY 0.17068 0.88430 -0.85804 -0.14380 0.30906 100 6PZ 0.50264 -0.81052 0.75941 -0.28139 0.16785 101 7D 0 0.11735 -0.01555 0.00092 -0.09152 0.04861 102 7D+1 -0.06057 -0.07698 0.00015 0.03101 0.04870 103 7D-1 0.12090 0.16330 0.00264 0.02112 0.01541 104 7D+2 -0.11014 0.06335 -0.00049 0.01557 0.08572 105 7D-2 -0.18128 0.08426 0.00423 -0.05134 -0.02563 106 8D 0 -0.18439 0.02660 -0.00431 0.14351 -0.08880 107 8D+1 0.09627 0.12538 -0.00861 -0.04598 -0.11835 108 8D-1 -0.19873 -0.26422 0.01351 -0.05701 -0.04390 109 8D+2 0.17866 -0.10167 0.00709 -0.00951 -0.13132 110 8D-2 0.29983 -0.13550 0.00163 0.11985 0.02982 111 6 Cu 1S -0.12143 -0.09869 0.01141 -0.06206 0.02276 112 2S -0.19541 -0.19285 -0.02914 -0.13217 0.04693 113 3S 3.10116 1.12958 -1.20107 2.26487 -0.87591 114 4PX 0.00242 0.00141 -0.00397 0.00031 0.00079 115 4PY -0.00086 -0.00309 0.00414 0.00066 0.00060 116 4PZ -0.00401 0.00352 0.00673 -0.00143 0.00098 117 5PX -0.34180 -0.16887 0.27422 -0.15314 0.40075 118 5PY 0.49177 0.24775 -0.38909 0.46881 0.04372 119 5PZ 0.46524 0.07801 -0.10399 -0.01229 0.05447 120 6PX -0.08464 -0.06082 -0.11240 -0.45687 0.11866 121 6PY 0.35643 0.03328 0.30312 0.55669 -0.23392 122 6PZ 0.15647 0.25889 -0.46891 0.33609 -0.14009 123 7D 0 0.08795 0.02726 0.05607 -0.04950 0.01864 124 7D+1 -0.11424 -0.01374 -0.01083 0.09741 -0.02366 125 7D-1 -0.01206 0.01560 0.02522 -0.07015 0.00661 126 7D+2 0.00904 0.02273 0.05658 0.10745 0.11160 127 7D-2 -0.08694 0.05481 0.13209 0.16231 -0.11807 128 8D 0 -0.11631 -0.03428 -0.04630 0.04461 -0.01490 129 8D+1 0.14247 0.00537 0.02072 -0.15044 0.04114 130 8D-1 0.05165 -0.00740 -0.05767 0.12060 -0.00898 131 8D+2 -0.01887 -0.03883 -0.08125 -0.17994 -0.18582 132 8D-2 0.09513 -0.09821 -0.18264 -0.27184 0.19715 133 7 Cu 1S 0.02485 0.02164 0.01560 0.03765 -0.21831 134 2S 0.04462 0.01631 0.06501 0.04650 -0.26349 135 3S -0.52135 -1.86085 0.69389 -1.45177 8.55371 136 4PX 0.00727 -0.00014 -0.00821 0.01369 -0.02021 137 4PY -0.00293 0.00165 0.01314 0.00173 -0.01858 138 4PZ -0.00307 -0.00192 -0.01421 -0.00318 -0.02725 139 5PX -0.25255 0.03291 0.28514 -0.00241 1.17905 140 5PY 0.04481 -0.20908 -0.62556 -0.23348 1.07042 141 5PZ 0.06491 0.13216 0.56268 -0.35043 1.30672 142 6PX -0.38888 -0.00447 0.27526 -0.15483 0.84755 143 6PY 0.08914 -0.07866 -0.60039 -0.11695 0.62994 144 6PZ 0.18522 0.05188 0.54043 -0.15879 1.03396 145 7D 0 -0.11405 -0.06713 -0.07569 0.08414 0.02821 146 7D+1 0.04685 -0.07209 0.06345 -0.00657 0.00102 147 7D-1 0.03640 -0.09501 -0.02853 0.15773 0.04336 148 7D+2 0.07597 -0.08599 -0.16390 -0.13249 0.00450 149 7D-2 -0.02109 -0.05378 0.05440 -0.19038 -0.03093 150 8D 0 0.15903 0.10914 0.12697 -0.13450 -0.05145 151 8D+1 -0.06876 0.12411 -0.08797 0.00814 0.00349 152 8D-1 -0.07896 0.14853 0.04393 -0.27443 -0.01892 153 8D+2 -0.09638 0.13601 0.26258 0.21789 -0.00067 154 8D-2 0.06296 0.08553 -0.08747 0.31492 0.09040 155 8 Cu 1S 0.10408 -0.09102 0.00908 0.05168 0.04268 156 2S 0.16951 -0.18153 -0.03402 0.10811 0.08885 157 3S -2.57533 0.93329 -1.09766 -1.87796 -1.60278 158 4PX 0.00370 0.00242 0.00830 0.00122 0.00131 159 4PY -0.00085 -0.00325 0.00208 -0.00103 0.00020 160 4PZ -0.00180 0.00281 -0.00223 -0.00013 0.00108 161 5PX -0.53286 0.13807 -0.25810 -0.12132 -0.10245 162 5PY -0.31372 0.16501 -0.27416 -0.44636 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-0.00212 0.00007 -0.00091 0.00128 47 3S 0.03108 0.04379 -0.00098 0.01996 -0.02996 48 4PX -0.00221 0.00168 0.00013 0.00329 0.00303 49 4PY -0.00172 -0.00089 -0.00001 0.00323 -0.00170 50 4PZ -0.00099 -0.00237 -0.00008 0.00148 -0.00318 51 5PX -0.04899 0.05004 0.00052 0.02608 0.01717 52 5PY -0.05206 -0.03624 -0.00011 0.01841 -0.00428 53 5PZ -0.01227 -0.04155 -0.00082 0.01545 -0.02866 54 6PX 0.17966 -0.14531 0.00147 0.03783 0.03319 55 6PY 0.15293 0.08641 -0.00009 0.03331 -0.01614 56 6PZ 0.07185 0.17728 -0.00075 0.01818 -0.03868 57 7D 0 -0.05784 -0.08152 -0.00438 0.08613 -0.13876 58 7D+1 -0.14086 -0.00794 0.00287 0.17350 0.01640 59 7D-1 -0.06926 0.07121 0.00351 0.07460 0.08495 60 7D+2 -0.05790 -0.03617 0.00167 0.11142 -0.02673 61 7D-2 0.02075 -0.14138 -0.00604 -0.03414 -0.16547 62 8D 0 0.08655 0.10609 0.00650 -0.13480 0.20674 63 8D+1 0.22043 0.02075 -0.00441 -0.28073 -0.02034 64 8D-1 0.11070 -0.11354 -0.00567 -0.12317 -0.13808 65 8D+2 0.06929 0.06069 -0.00235 -0.16284 0.04750 66 8D-2 -0.02349 0.22171 0.00953 0.04753 0.26754 67 4 Cu 1S -0.00329 -0.02228 0.00053 0.00177 -0.00622 68 2S -0.00703 -0.04311 0.00165 -0.00307 0.01366 69 3S 0.04678 0.44508 0.01659 -0.23007 0.88735 70 4PX 0.01831 -0.00191 0.00867 0.00713 -0.00196 71 4PY 0.01115 -0.00648 0.00599 0.00343 0.00429 72 4PZ 0.00465 0.00746 0.00170 -0.00046 0.00612 73 5PX -0.06702 0.02740 0.12168 -0.09607 0.16448 74 5PY -0.03983 0.01981 0.06968 0.03561 -0.29587 75 5PZ -0.02698 -0.11506 0.02327 -0.01666 0.04627 76 6PX -0.02183 0.12245 -0.34134 0.20131 0.04609 77 6PY -0.06896 -0.21970 -0.21977 0.09288 0.20482 78 6PZ 0.04854 0.24029 -0.07700 0.17318 -0.53606 79 7D 0 0.00305 -0.09126 0.02819 0.03290 -0.12961 80 7D+1 0.07052 -0.02298 0.11380 -0.00413 0.01098 81 7D-1 0.03265 0.03683 0.05722 -0.01380 0.06866 82 7D+2 0.11637 -0.03723 0.10845 -0.03350 0.04316 83 7D-2 -0.07113 -0.03884 -0.06053 -0.01728 0.11059 84 8D 0 -0.00662 0.12281 -0.04392 -0.04777 0.18091 85 8D+1 -0.10090 0.03532 -0.17210 0.00018 -0.01413 86 8D-1 -0.04738 -0.04778 -0.09192 0.01860 -0.10670 87 8D+2 -0.15958 0.06023 -0.13687 0.04818 -0.07320 88 8D-2 0.10307 0.07335 0.08023 0.03177 -0.17936 89 5 Cu 1S 0.00133 0.00156 -0.00001 0.00067 -0.00076 90 2S 0.00242 0.00287 0.00003 0.00133 -0.00144 91 3S -0.01256 -0.01096 0.00109 0.00632 -0.01252 92 4PX -0.01620 0.01326 -0.00031 -0.00415 -0.00430 93 4PY -0.01377 -0.00800 0.00001 -0.00374 0.00225 94 4PZ -0.00657 -0.01614 0.00023 -0.00196 0.00456 95 5PX 0.43441 -0.35174 0.02287 0.43399 0.41255 96 5PY 0.37795 0.21668 -0.00215 0.41003 -0.21676 97 5PZ 0.17418 0.42346 -0.01558 0.19793 -0.44492 98 6PX 0.10106 -0.11133 -0.00774 -0.14656 -0.13177 99 6PY 0.08860 0.06897 0.00084 -0.14201 0.07231 100 6PZ 0.03726 0.12509 0.00454 -0.06812 0.14282 101 7D 0 -0.02796 0.03758 0.00522 -0.01735 0.13469 102 7D+1 -0.11477 -0.04396 -0.00150 0.05262 -0.05967 103 7D-1 -0.07042 0.06523 0.00184 0.04291 0.03637 104 7D+2 0.05309 -0.04923 -0.00407 -0.13680 -0.04932 105 7D-2 -0.02594 -0.11737 -0.00028 0.06371 -0.04498 106 8D 0 0.05924 -0.02381 -0.00823 0.02813 -0.21070 107 8D+1 0.20994 0.06398 0.00250 -0.07865 0.09225 108 8D-1 0.12304 -0.11643 -0.00252 -0.06507 -0.05399 109 8D+2 -0.05420 0.08140 0.00623 0.21302 0.07540 110 8D-2 0.02899 0.21390 -0.00005 -0.09891 0.06558 111 6 Cu 1S -0.01042 -0.05439 0.00207 -0.01049 0.04390 112 2S -0.02698 -0.13902 0.00509 -0.02608 0.10784 113 3S 0.11446 0.65614 -0.01349 0.04922 -0.25134 114 4PX -0.00189 0.00667 0.00630 -0.00358 -0.00220 115 4PY -0.00447 -0.01231 0.00435 -0.00303 0.00159 116 4PZ 0.00213 0.01339 0.00093 0.00009 -0.00305 117 5PX -0.07085 -0.02633 -0.01341 0.02764 -0.00393 118 5PY -0.04005 0.04061 -0.00746 0.00513 0.03657 119 5PZ 0.01021 0.12168 -0.00488 0.01977 -0.07410 120 6PX -0.12189 -0.05122 0.01876 -0.07114 -0.02904 121 6PY -0.05487 0.10743 0.01033 -0.04876 -0.01585 122 6PZ -0.01244 0.06527 0.00548 -0.03303 0.06664 123 7D 0 0.04344 0.15125 0.05799 -0.03746 0.08256 124 7D+1 0.05896 0.00275 0.16193 -0.01297 -0.13007 125 7D-1 0.01690 -0.06115 0.14836 -0.08583 0.15689 126 7D+2 0.05583 0.03482 -0.17633 0.06768 0.11468 127 7D-2 -0.00576 0.13085 0.04323 -0.06002 0.12182 128 8D 0 -0.06487 -0.19958 -0.09650 0.05956 -0.13002 129 8D+1 -0.10559 -0.01242 -0.27244 0.02052 0.21303 130 8D-1 -0.03753 0.09843 -0.24390 0.13926 -0.26209 131 8D+2 -0.06843 -0.05468 0.26817 -0.10046 -0.18831 132 8D-2 0.00522 -0.19770 -0.06147 0.09655 -0.20788 133 7 Cu 1S 0.01816 0.00627 0.00022 -0.00821 0.00191 134 2S 0.03633 0.01257 0.00036 0.01022 -0.00362 135 3S -0.37317 -0.13203 -0.00267 0.91841 -0.25181 136 4PX 0.00448 -0.01728 -0.00809 -0.00167 0.00776 137 4PY 0.00692 0.00570 0.00141 -0.00616 0.00039 138 4PZ -0.00808 0.01058 0.00583 -0.00490 -0.00376 139 5PX -0.02745 0.06389 -0.11997 0.17934 -0.10166 140 5PY -0.12044 -0.05794 0.02047 -0.06505 0.03418 141 5PZ 0.03920 -0.03302 0.08634 0.28904 -0.04856 142 6PX -0.11348 0.02592 0.34473 0.05231 0.17224 143 6PY 0.26156 0.07014 -0.05881 0.54152 -0.18258 144 6PZ -0.19059 -0.10860 -0.24962 -0.16610 -0.08566 145 7D 0 -0.09306 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-0.04306 165 6PY -0.00384 -0.11532 -0.01371 -0.03041 0.05650 166 6PZ -0.11983 -0.02979 -0.01856 -0.05639 0.03641 167 7D 0 0.01362 0.07672 0.08597 0.09798 0.00977 168 7D+1 0.11292 -0.05730 -0.19606 -0.01163 0.08212 169 7D-1 0.06377 -0.05945 -0.00599 -0.15414 -0.14615 170 7D+2 0.07760 -0.01967 0.03250 -0.09545 -0.13442 171 7D-2 -0.07933 0.10731 -0.19423 -0.06971 0.02148 172 8D 0 -0.02717 -0.10052 -0.12005 -0.15369 -0.02102 173 8D+1 -0.17743 0.06956 0.32002 0.01464 -0.13313 174 8D-1 -0.09663 0.09003 0.00908 0.25942 0.24655 175 8D+2 -0.09578 0.01571 -0.04161 0.15688 0.21479 176 8D-2 0.10287 -0.17061 0.31669 0.11343 -0.02990 177 9 C 1S 0.00011 0.00018 0.00000 -0.00023 0.00035 178 2S -0.00577 -0.00647 0.00018 -0.00178 0.00012 179 3S 0.00629 0.00767 0.00003 0.00135 0.00179 180 4PX 0.06779 -0.05830 0.00238 0.04215 0.04159 181 4PY 0.06207 0.03773 -0.00030 0.04107 -0.02317 182 4PZ 0.02539 0.06576 -0.00158 0.01881 -0.04299 183 5PX -0.63974 0.52470 -0.02631 -0.46482 -0.43708 184 5PY -0.55554 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-0.01865 -0.15186 9 5PZ 0.17451 0.45509 0.24003 -0.07868 -0.15600 10 6PX 0.22474 0.09273 -0.09878 -0.10330 -0.11010 11 6PY 0.50790 -0.02149 0.00780 0.01870 0.08707 12 6PZ 0.19280 -0.03111 0.09479 0.07417 0.04526 13 7D 0 0.01795 0.05605 -0.08003 -0.15804 -0.10461 14 7D+1 -0.00873 -0.10878 -0.01453 0.08639 0.03221 15 7D-1 0.13702 -0.00379 0.04492 0.12326 0.14753 16 7D+2 0.08529 0.04397 0.05964 0.01984 0.08372 17 7D-2 0.06846 0.02899 -0.08352 -0.21229 -0.16655 18 8D 0 -0.01781 -0.10647 0.14348 0.27683 0.19836 19 8D+1 0.02117 0.18422 0.01616 -0.15422 -0.05433 20 8D-1 -0.24622 -0.00481 -0.09203 -0.23189 -0.27411 21 8D+2 -0.13320 -0.08329 -0.11036 -0.02701 -0.14969 22 8D-2 -0.12945 -0.06493 0.14780 0.39318 0.31026 23 2 Cu 1S -0.00999 -0.00275 0.08812 0.00249 0.05531 24 2S -0.06974 -0.00595 0.13906 0.00353 0.06500 25 3S -0.20140 -0.01192 -1.28765 -0.05408 -1.49421 26 4PX -0.00625 0.00028 -0.00879 0.00029 0.00144 27 4PY -0.00393 -0.00803 0.00755 0.00970 -0.00671 28 4PZ 0.00363 -0.00654 -0.00837 0.01040 0.00731 29 5PX 0.36669 -0.00453 0.57776 0.00228 0.24933 30 5PY -0.05804 0.56700 -0.12314 -0.36014 -0.00015 31 5PZ 0.04149 0.54575 0.18947 -0.38394 -0.45229 32 6PX 0.31290 -0.00669 0.36516 0.01770 0.37101 33 6PY -0.17639 0.27745 0.22444 0.28039 -0.24788 34 6PZ 0.15034 0.28634 -0.15208 0.27509 -0.50561 35 7D 0 0.03495 0.01323 -0.01166 -0.10724 0.03314 36 7D+1 0.05248 -0.05477 -0.10691 -0.05102 -0.01045 37 7D-1 -0.06129 -0.00493 0.01477 0.00367 -0.09806 38 7D+2 -0.06507 0.00059 0.02025 -0.06416 0.06668 39 7D-2 -0.05724 -0.06305 0.10511 -0.04209 0.03079 40 8D 0 -0.04584 0.02646 0.03693 0.15735 -0.07507 41 8D+1 -0.09188 0.08224 0.17392 0.10528 0.02346 42 8D-1 0.14032 0.00797 -0.03843 -0.00554 0.17422 43 8D+2 0.09074 0.02869 -0.05676 0.09523 -0.12440 44 8D-2 0.10326 0.09452 -0.17175 0.09014 -0.04802 45 3 Cu 1S -0.01393 -0.00087 -0.00056 0.00002 -0.00137 46 2S 0.04285 -0.00152 -0.00092 0.00003 -0.00285 47 3S 2.16349 0.02522 0.01157 -0.00147 0.00905 48 4PX -0.00562 -0.00017 -0.00402 -0.00020 -0.00311 49 4PY 0.01123 -0.00282 -0.00135 0.00003 0.00170 50 4PZ -0.01037 -0.00318 0.00062 0.00015 0.00337 51 5PX 0.25474 0.00056 0.14270 0.00359 0.05099 52 5PY -0.51117 0.09855 0.04331 -0.00018 -0.02789 53 5PZ 0.47340 0.11414 -0.02490 -0.00257 -0.05401 54 6PX 0.05933 -0.00311 -0.20169 -0.00954 -0.15436 55 6PY -0.11990 -0.15231 -0.07097 0.00159 0.08307 56 6PZ 0.12303 -0.15169 0.03503 0.00633 0.17125 57 7D 0 0.00132 -0.17754 0.16974 0.00315 0.03855 58 7D+1 -0.00272 0.27527 0.10640 0.00066 -0.00288 59 7D-1 0.00685 -0.01379 0.23164 0.00107 -0.01745 60 7D+2 0.00307 -0.06341 -0.30965 -0.00267 0.00271 61 7D-2 0.00362 0.28340 -0.05168 0.00144 0.03992 62 8D 0 0.00234 0.30920 -0.30453 -0.00574 -0.07909 63 8D+1 0.01992 -0.50340 -0.20180 -0.00132 0.00774 64 8D-1 -0.04243 0.02592 -0.42598 -0.00199 0.03259 65 8D+2 -0.01771 0.10787 0.55406 0.00486 -0.00410 66 8D-2 -0.02257 -0.51889 0.10257 -0.00262 -0.07513 67 4 Cu 1S -0.01249 0.07848 -0.03659 -0.00187 -0.07914 68 2S -0.07173 0.12365 -0.05904 -0.00239 -0.09147 69 3S -0.08923 -1.14802 0.49114 0.04881 2.13455 70 4PX 0.00405 -0.00625 -0.00622 -0.01191 -0.00643 71 4PY -0.00517 0.00380 -0.00862 -0.00766 0.01129 72 4PZ -0.00385 -0.01151 0.00407 -0.00220 -0.00714 73 5PX -0.06266 0.22730 0.59998 0.44684 0.41088 74 5PY 0.00177 0.14956 0.42455 0.28605 -0.40226 75 5PZ 0.35084 0.59528 -0.15987 0.07038 -0.16099 76 6PX 0.02949 -0.04385 0.40097 -0.31310 0.42668 77 6PY -0.13903 0.36960 0.08642 -0.22564 -0.22810 78 6PZ 0.36735 0.25777 -0.05242 -0.05828 -0.40341 79 7D 0 -0.00904 -0.06667 0.01181 0.02691 -0.03817 80 7D+1 0.06490 -0.08246 -0.02261 0.09095 0.02499 81 7D-1 -0.10047 0.08305 -0.09081 0.04422 -0.00455 82 7D+2 -0.02311 0.01656 0.03112 0.08215 0.03760 83 7D-2 -0.01299 -0.03882 0.01116 -0.04645 0.14527 84 8D 0 -0.00974 0.08990 -0.00734 -0.04911 0.06485 85 8D+1 -0.10240 0.15334 0.04110 -0.16336 -0.04163 86 8D-1 0.18020 -0.14965 0.15359 -0.08725 0.00493 87 8D+2 0.05275 -0.00992 -0.00150 -0.10544 -0.06209 88 8D-2 0.05300 0.04565 -0.03407 0.06682 -0.25939 89 5 Cu 1S -0.07347 -0.00025 0.00026 -0.00001 0.00197 90 2S -0.05878 0.00088 0.00102 -0.00011 0.00292 91 3S 6.81058 0.01894 -0.00696 -0.00212 -0.09869 92 4PX 0.02584 -0.00083 0.00518 -0.00042 -0.01854 93 4PY -0.05111 0.00327 0.00104 0.00013 0.01089 94 4PZ 0.04882 0.00426 -0.00169 0.00030 0.02022 95 5PX -0.08891 0.01488 0.16785 0.02425 0.73500 96 5PY 0.16428 0.15470 0.08176 -0.00409 -0.41656 97 5PZ -0.20126 0.11735 -0.01961 -0.01447 -0.82129 98 6PX -0.10505 -0.02368 0.46554 0.00282 0.14512 99 6PY 0.18448 0.34012 0.13739 0.00226 -0.08251 100 6PZ -0.22747 0.36466 -0.10085 0.00112 -0.15286 101 7D 0 0.00032 0.03947 -0.05648 0.00345 0.13784 102 7D+1 -0.01120 -0.09972 -0.04894 -0.00208 -0.04631 103 7D-1 0.02095 0.00585 -0.08484 -0.00125 -0.00442 104 7D+2 0.01051 0.00368 0.08489 -0.00061 -0.02337 105 7D-2 0.01198 -0.09674 0.03175 0.00201 0.01851 106 8D 0 0.01721 -0.08506 0.10966 -0.00518 -0.19978 107 8D+1 0.07914 0.18966 0.08884 0.00334 0.06695 108 8D-1 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0.09593 -0.13196 128 8D 0 0.09150 -0.14607 0.02718 0.10165 -0.39651 129 8D+1 0.12964 -0.05567 -0.16577 0.38052 -0.12487 130 8D-1 -0.24992 0.02557 -0.10800 0.20646 0.26093 131 8D+2 -0.05659 -0.01795 -0.20333 0.25790 0.08141 132 8D-2 -0.03173 0.19827 0.01574 -0.17025 0.26263 133 7 Cu 1S -0.00845 -0.07503 -0.05132 -0.00069 0.02403 134 2S -0.06844 -0.11869 -0.08039 -0.00116 0.02832 135 3S -0.27350 1.09346 0.76987 0.00963 -0.65701 136 4PX 0.00514 0.00650 -0.00571 0.01143 0.00057 137 4PY 0.00352 -0.01075 -0.00531 -0.00211 -0.00220 138 4PZ 0.00609 0.00220 0.00835 -0.00816 0.00428 139 5PX -0.09768 -0.26558 0.57686 -0.41139 0.25258 140 5PY -0.36892 0.57220 0.25396 0.07567 -0.10438 141 5PZ -0.05122 0.22564 -0.37916 0.29671 -0.39283 142 6PX 0.00581 0.05986 0.40204 0.34618 0.44662 143 6PY -0.38192 0.21867 0.07968 -0.05726 -0.22107 144 6PZ 0.08927 0.37021 0.00051 -0.24662 -0.48105 145 7D 0 0.02008 -0.01101 -0.04903 0.08501 0.06281 146 7D+1 0.01192 -0.04566 -0.02509 -0.04479 0.01652 147 7D-1 -0.09967 -0.06355 -0.09656 -0.05222 -0.02175 148 7D+2 -0.01348 -0.07895 -0.00611 -0.01767 -0.03613 149 7D-2 -0.06920 -0.07995 0.00908 0.09378 0.05407 150 8D 0 -0.03059 0.03010 0.03326 -0.11649 -0.13353 151 8D+1 -0.05171 0.05738 0.05275 0.06639 -0.02050 152 8D-1 0.17732 0.11763 0.16765 0.10004 0.03563 153 8D+2 0.05103 0.10413 0.02088 0.01022 0.07593 154 8D-2 0.10966 0.15293 -0.01725 -0.16628 -0.09641 155 8 Cu 1S 0.09015 0.00106 -0.03474 -0.00139 -0.04370 156 2S 0.16943 -0.00084 -0.00584 -0.00143 -0.05753 157 3S -2.54025 -0.07156 1.79190 0.04408 1.16665 158 4PX 0.01343 0.00031 -0.01475 -0.00046 -0.00868 159 4PY 0.00626 -0.00333 -0.00569 -0.00224 -0.00156 160 4PZ -0.00626 -0.00436 0.00557 -0.00220 0.00322 161 5PX -0.65407 -0.01426 0.48158 0.01806 0.38599 162 5PY -0.00411 0.04594 0.35740 0.10085 0.02521 163 5PZ 0.01423 0.08881 -0.34335 0.09584 -0.17061 164 6PX -0.58047 -0.01393 0.01457 -0.00932 -0.12746 165 6PY -0.02473 -0.10805 0.02001 -0.08676 0.15944 166 6PZ 0.04782 -0.12316 -0.02706 -0.09916 -0.00503 167 7D 0 -0.01077 0.12783 -0.02742 0.21618 -0.09539 168 7D+1 -0.10379 0.03413 0.01076 0.11782 -0.17201 169 7D-1 0.08394 0.00689 -0.11436 -0.01080 0.14897 170 7D+2 0.02808 0.06639 0.06090 0.12752 -0.14724 171 7D-2 0.10881 0.04012 -0.00912 0.11177 0.02557 172 8D 0 0.03002 -0.23398 0.04405 -0.38499 0.18062 173 8D+1 0.17601 -0.06389 -0.03549 -0.22559 0.31004 174 8D-1 -0.15401 -0.01248 0.20089 0.01909 -0.28585 175 8D+2 -0.06824 -0.12352 -0.10170 -0.22793 0.26545 176 8D-2 -0.18352 -0.07598 0.03251 -0.21351 -0.03470 177 9 C 1S -0.05845 0.00022 0.00013 0.00001 0.00078 178 2S 1.46294 -0.00445 -0.00542 0.00005 -0.01851 179 3S -2.55373 0.01970 0.01331 -0.00075 0.02515 180 4PX 0.04907 -0.00206 -0.02117 -0.00129 -0.03497 181 4PY -0.09929 -0.01483 -0.00735 0.00006 0.02085 182 4PZ 0.09049 -0.01633 0.00183 0.00102 0.03666 183 5PX 0.06571 -0.01154 0.12672 -0.00586 -0.19026 184 5PY -0.12410 0.08983 0.03643 0.00157 0.10684 185 5PZ 0.13653 0.09690 -0.03324 0.00524 0.21532 186 10 O 1S 0.01069 0.00000 -0.00004 0.00000 -0.00017 187 2S -0.01203 0.00030 -0.00003 0.00002 -0.00062 188 3S 0.17209 -0.00165 -0.00042 -0.00002 0.00127 189 4PX 0.09420 -0.00314 0.07822 -0.00085 -0.02504 190 4PY -0.18924 0.05706 0.02488 0.00058 0.01579 191 4PZ 0.17721 0.05955 -0.01691 0.00118 0.02493 192 5PX -0.04423 0.00869 -0.15774 0.00340 0.09851 193 5PY 0.08605 -0.11368 -0.04728 -0.00151 -0.05426 194 5PZ -0.09151 -0.11995 0.03496 -0.00356 -0.11369 161 162 163 164 165 V V V V V EIGENVALUES -- 0.87051 0.88293 0.88356 0.89051 0.93513 1 1 Cu 1S 0.05781 -0.00182 0.02301 -0.04769 -0.08579 2 2S 0.07689 -0.00475 0.05945 -0.09987 -0.20771 3 3S -1.52118 0.00723 -0.00166 0.98630 -0.53892 4 4PX -0.00643 0.01121 0.00337 0.00340 -0.00185 5 4PY -0.00831 -0.00144 -0.00792 0.01648 -0.01349 6 4PZ -0.00592 -0.00850 0.00513 0.00086 0.00078 7 5PX 0.28720 -0.13598 -0.07313 -0.06341 0.02308 8 5PY 0.39724 0.01988 0.13589 0.00743 0.54800 9 5PZ 0.23125 0.10654 -0.11969 -0.09282 -0.10562 10 6PX -0.03163 0.43761 0.09757 -0.25738 -0.00613 11 6PY -0.20209 -0.05340 -0.51642 -0.01655 0.15893 12 6PZ 0.09121 -0.33709 0.20592 -0.35066 -0.04255 13 7D 0 -0.10032 0.16566 -0.04812 -0.02424 -0.10395 14 7D+1 0.13732 -0.07052 -0.00827 -0.16711 -0.00973 15 7D-1 -0.12171 -0.02597 0.01210 0.02715 -0.08100 16 7D+2 -0.21658 -0.07104 -0.09057 0.07449 -0.19013 17 7D-2 -0.07142 0.07515 0.04379 -0.02831 0.00761 18 8D 0 0.17094 -0.28968 0.08365 0.05555 0.21029 19 8D+1 -0.27177 0.12393 0.01600 0.31145 0.01944 20 8D-1 0.22309 0.05100 -0.01849 -0.07555 0.15204 21 8D+2 0.38780 0.12208 0.15709 -0.13062 0.38062 22 8D-2 0.13449 -0.13894 -0.07438 0.03110 -0.02286 23 2 Cu 1S 0.05746 0.00253 0.00138 0.02268 0.05941 24 2S 0.06461 -0.00367 -0.00266 -0.02931 0.03312 25 3S -1.59348 -0.50030 -0.29814 -2.76579 -1.88987 26 4PX 0.00170 0.00087 0.00121 -0.02308 -0.01457 27 4PY -0.00859 -0.00002 -0.00512 -0.00636 -0.01294 28 4PZ 0.00781 0.00453 -0.00178 0.00667 0.01298 29 5PX 0.25658 0.27342 0.16965 0.47983 0.17367 30 5PY 0.46400 0.01160 -0.19057 0.32958 0.39595 31 5PZ -0.05732 0.17344 -0.09599 -0.33463 -0.39352 32 6PX 0.44255 -0.48893 -0.29734 0.35895 0.16257 33 6PY 0.40316 0.17106 0.83270 -0.15974 0.07708 34 6PZ 0.19988 -0.79699 0.21049 0.18373 -0.06662 35 7D 0 -0.07482 0.17106 -0.06363 0.02969 -0.01317 36 7D+1 -0.03054 -0.10069 0.07559 -0.01475 -0.03930 37 7D-1 -0.10126 -0.03205 -0.01693 -0.14037 -0.07891 38 7D+2 0.01648 -0.11530 -0.16765 -0.07247 0.01871 39 7D-2 0.00542 -0.01831 0.12663 0.02032 0.03785 40 8D 0 0.14348 -0.26747 0.09534 -0.05797 0.00480 41 8D+1 0.04906 0.17333 -0.13171 0.01334 0.05569 42 8D-1 0.17985 0.06391 0.03564 0.30503 0.17301 43 8D+2 -0.01662 0.18775 0.26230 0.14168 0.00197 44 8D-2 -0.01582 0.03413 -0.21819 -0.02108 -0.05286 45 3 Cu 1S 0.00087 -0.00192 0.00421 -0.16694 -0.11824 46 2S 0.00183 -0.00384 0.00794 -0.29593 -0.23318 47 3S -0.00566 0.02882 -0.08337 4.06072 1.70361 48 4PX -0.00284 -0.01084 -0.00737 -0.00968 -0.00312 49 4PY -0.00259 0.00268 -0.01028 0.01893 0.00614 50 4PZ -0.00118 0.00845 -0.00618 -0.01837 -0.00587 51 5PX 0.04479 0.17837 0.11621 0.35770 0.10733 52 5PY 0.04155 -0.04664 0.17468 -0.70973 -0.21730 53 5PZ 0.01816 -0.13556 0.09338 0.67539 0.20142 54 6PX -0.14537 -0.45246 -0.32375 0.20709 0.15850 55 6PY -0.13126 0.10570 -0.40949 -0.42634 -0.31950 56 6PZ -0.06061 0.36093 -0.28353 0.38179 0.30033 57 7D 0 -0.01785 0.17993 -0.08447 -0.02987 -0.02856 58 7D+1 -0.05495 -0.07175 0.02588 -0.08434 -0.08845 59 7D-1 -0.02652 0.02713 0.01814 0.16528 0.17607 60 7D+2 -0.00764 -0.08961 -0.17030 0.06484 0.07006 61 7D-2 -0.00198 0.00732 0.07938 0.08780 0.09353 62 8D 0 0.03603 -0.31666 0.14736 0.06035 0.05666 63 8D+1 0.10379 0.12662 -0.05031 0.17236 0.17647 64 8D-1 0.04894 -0.05143 -0.03258 -0.33820 -0.35143 65 8D+2 0.02358 0.15951 0.30057 -0.13305 -0.14017 66 8D-2 -0.00026 -0.00831 -0.14105 -0.17959 -0.18658 67 4 Cu 1S 0.01638 -0.00117 0.00059 0.02321 0.05857 68 2S 0.01773 0.00483 -0.00174 -0.02849 0.03218 69 3S -0.46320 0.45058 -0.19579 -2.78767 -1.86421 70 4PX 0.00130 -0.00307 -0.00379 0.01157 0.01322 71 4PY -0.00292 0.00074 -0.00385 -0.01270 -0.01788 72 4PZ 0.00169 -0.00255 0.00086 -0.01793 -0.00697 73 5PX 0.26194 -0.07125 -0.18074 -0.37908 -0.32088 74 5PY 0.33486 -0.00835 -0.14331 0.48397 0.48173 75 5PZ 0.08451 -0.32862 0.11826 0.28547 -0.03766 76 6PX 0.46170 0.50364 0.54770 0.01318 -0.09120 77 6PY 0.41235 -0.25985 0.66864 -0.10019 0.11302 78 6PZ 0.19205 0.79823 -0.25511 0.41624 0.11570 79 7D 0 -0.00100 0.19745 -0.06885 -0.06510 -0.00637 80 7D+1 -0.05230 -0.05143 0.09185 0.03855 -0.02528 81 7D-1 -0.02034 0.07066 0.05142 -0.06100 0.01575 82 7D+2 -0.06846 -0.06910 -0.19149 -0.06462 -0.03194 83 7D-2 0.00151 0.05300 0.05082 -0.11859 -0.08805 84 8D 0 0.00296 -0.31902 0.10493 0.10979 0.02819 85 8D+1 0.09206 0.07164 -0.16350 -0.08439 0.01705 86 8D-1 0.03234 -0.11907 -0.09438 0.14683 0.01175 87 8D+2 0.14490 0.10484 0.30850 0.13641 0.07071 88 8D-2 -0.01150 -0.09555 -0.07205 0.24943 0.17272 89 5 Cu 1S -0.00171 0.00071 -0.00164 0.07356 -0.06047 90 2S -0.00178 0.00295 -0.00671 0.24844 0.16001 91 3S 0.08825 -0.01875 0.01112 0.49143 6.08028 92 4PX -0.02109 0.00042 -0.00087 0.01729 0.00956 93 4PY -0.01952 -0.00047 -0.00003 -0.03447 -0.01852 94 4PZ -0.00883 -0.00072 -0.00062 0.03240 0.01801 95 5PX 0.82423 0.20296 0.20011 -0.94605 -0.40808 96 5PY 0.75791 -0.02149 0.18120 1.90317 0.80586 97 5PZ 0.34578 -0.16719 0.17922 -1.76165 -0.76601 98 6PX 0.18051 -0.46886 -0.32779 -0.00986 -0.21358 99 6PY 0.16453 0.11469 -0.43602 0.00584 0.40778 100 6PZ 0.06836 0.36848 -0.28243 -0.01910 -0.41963 101 7D 0 -0.03282 0.15338 -0.11432 0.01472 -0.01136 102 7D+1 -0.00822 -0.06343 -0.09936 0.05973 -0.03527 103 7D-1 0.01324 -0.05873 -0.02208 -0.12229 0.06980 104 7D+2 -0.12881 -0.03796 -0.15683 -0.05252 0.02798 105 7D-2 0.05729 0.12185 0.03685 -0.06550 0.03702 106 8D 0 0.04624 -0.27664 0.21065 -0.03581 0.03163 107 8D+1 0.00569 0.11427 0.19476 -0.13687 0.10010 108 8D-1 -0.02410 0.11644 0.04361 0.27931 -0.19786 109 8D+2 0.18705 0.06318 0.28069 0.11810 -0.07934 110 8D-2 -0.08505 -0.23270 -0.06201 0.15020 -0.10479 111 6 Cu 1S -0.01167 0.01481 -0.00662 -0.05101 -0.08694 112 2S -0.01528 0.04202 -0.01913 -0.10602 -0.21063 113 3S 0.29982 0.09273 -0.06010 1.04796 -0.52517 114 4PX -0.00036 0.00782 0.00895 0.00326 -0.00136 115 4PY -0.00224 -0.00220 0.00972 -0.00001 -0.00140 116 4PZ -0.00191 0.00684 -0.00090 -0.01701 0.01362 117 5PX 0.06271 -0.12630 -0.08899 -0.07086 0.00616 118 5PY 0.12491 0.08299 -0.14547 0.09503 0.12775 119 5PZ 0.10369 -0.10441 0.02935 0.01897 -0.54565 120 6PX -0.12964 0.25903 0.37936 -0.24655 -0.01088 121 6PY -0.07533 -0.07085 0.36538 0.37589 0.06629 122 6PZ -0.07592 0.47407 -0.15419 0.01598 -0.16137 123 7D 0 0.00415 0.07762 -0.05991 -0.06015 0.21233 124 7D+1 0.17139 -0.05859 -0.04466 0.03293 0.00154 125 7D-1 0.12868 0.00623 -0.01220 0.02559 -0.10028 126 7D+2 0.14400 -0.06432 -0.15878 0.06655 -0.01123 127 7D-2 -0.05949 0.05195 0.06378 0.16807 0.00916 128 8D 0 -0.01289 -0.13315 0.10632 0.09679 -0.42697 129 8D+1 -0.31976 0.10395 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-0.17742 0.01541 0.00966 0.07766 0.02047 13 7D 0 -0.01663 0.03847 0.03726 0.03529 0.05232 14 7D+1 0.15917 0.02598 0.09246 0.08864 0.14607 15 7D-1 0.05963 0.14863 -0.16706 -0.07070 0.02041 16 7D+2 -0.10361 -0.10039 -0.03573 0.02814 -0.02753 17 7D-2 0.10112 -0.21399 -0.06080 0.09120 -0.05098 18 8D 0 0.04328 -0.06454 -0.07659 -0.06637 -0.09804 19 8D+1 -0.33401 -0.06165 -0.20271 -0.17297 -0.29156 20 8D-1 -0.15112 -0.31455 0.34925 0.16238 -0.03128 21 8D+2 0.22166 0.20541 0.08522 -0.05005 0.07315 22 8D-2 -0.23336 0.45746 0.12050 -0.19058 0.11759 23 2 Cu 1S -0.03058 -0.02666 0.02273 0.02412 -0.05401 24 2S -0.13697 -0.06852 0.05546 0.04596 -0.10179 25 3S -1.44264 0.11540 -0.14865 -0.42331 0.96012 26 4PX 0.00586 -0.00545 0.00228 -0.00664 0.01501 27 4PY -0.00398 0.00312 -0.00897 -0.01952 0.00181 28 4PZ 0.00419 -0.00958 0.00088 -0.01228 -0.01599 29 5PX 0.16862 0.17595 -0.09650 0.10759 -0.26548 30 5PY 0.57108 -0.06496 0.21831 0.10577 -0.04534 31 5PZ -0.54858 0.22084 0.02118 0.01972 0.11909 32 6PX 0.37680 -0.03506 0.04123 0.09476 -0.21831 33 6PY -0.03037 0.02934 0.06307 -0.00308 -0.08674 34 6PZ 0.03809 0.03948 0.04643 -0.07173 0.06465 35 7D 0 0.03274 0.05804 0.01992 0.08754 0.08650 36 7D+1 0.06173 0.01759 0.03475 0.09994 0.16619 37 7D-1 -0.13783 0.12804 -0.09540 -0.03884 0.05096 38 7D+2 -0.07377 -0.01160 0.05335 0.09811 -0.03765 39 7D-2 -0.06374 0.04598 0.02643 0.17645 -0.04252 40 8D 0 -0.06544 -0.10487 -0.03108 -0.19338 -0.18479 41 8D+1 -0.10048 -0.03434 -0.05892 -0.18761 -0.32557 42 8D-1 0.33895 -0.24844 0.18422 0.08047 -0.10643 43 8D+2 0.15260 0.02145 -0.09595 -0.20938 0.07789 44 8D-2 0.10556 -0.08079 -0.04968 -0.34023 0.08946 45 3 Cu 1S 0.03933 0.00023 0.00017 0.00015 0.00029 46 2S 0.13095 0.00031 0.00020 0.00033 0.00046 47 3S 1.42353 0.00146 -0.00033 0.00303 0.00697 48 4PX -0.00203 -0.00915 0.00586 -0.00435 0.01160 49 4PY 0.00399 0.00270 0.00817 0.00687 0.00681 50 4PZ -0.00381 0.00757 0.00531 0.00963 0.00089 51 5PX 0.13233 0.18134 -0.11952 0.06534 -0.18003 52 5PY -0.26553 -0.05231 -0.16221 -0.10481 -0.10717 53 5PZ 0.24925 -0.14940 -0.10557 -0.14604 -0.01527 54 6PX 0.02134 -0.00863 0.00304 -0.01823 0.04424 55 6PY -0.04248 0.00291 0.00531 0.02710 0.02400 56 6PZ 0.03735 0.00856 0.00549 0.03852 0.00303 57 7D 0 0.01043 0.05260 0.06534 0.04022 0.06694 58 7D+1 0.02779 -0.01893 0.12590 0.12098 0.21248 59 7D-1 -0.05791 -0.08514 0.04193 -0.07592 0.16280 60 7D+2 -0.02181 0.02701 0.05335 0.06715 -0.03846 61 7D-2 -0.03178 0.14152 0.02496 0.21727 -0.05483 62 8D 0 -0.01529 -0.10307 -0.13343 -0.07503 -0.14252 63 8D+1 -0.03872 0.03684 -0.26415 -0.25900 -0.44784 64 8D-1 0.08220 0.17900 -0.08818 0.16058 -0.34546 65 8D+2 0.03024 -0.05947 -0.10572 -0.14070 0.09161 66 8D-2 0.04575 -0.29564 -0.05498 -0.46065 0.11179 67 4 Cu 1S -0.03008 0.02828 0.01352 -0.06061 0.00765 68 2S -0.13619 0.07324 0.03482 -0.11570 0.01463 69 3S -1.46720 -0.10160 -0.04805 1.04560 -0.13407 70 4PX 0.00127 0.00508 -0.00290 -0.01416 -0.01903 71 4PY -0.00350 -0.00477 -0.00589 0.01327 -0.01555 72 4PZ 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0.01452 -0.01274 0.00984 0.00552 -0.01188 93 4PY -0.02817 0.00318 0.01231 -0.00823 -0.00663 94 4PZ 0.02769 0.01008 0.00722 -0.01126 -0.00015 95 5PX -1.25606 0.23073 -0.15149 0.00407 -0.06335 96 5PY 2.50684 -0.06720 -0.22389 -0.01146 -0.02379 97 5PZ -2.34473 -0.18274 -0.11774 -0.04556 -0.02460 98 6PX 0.11275 0.16986 -0.12053 0.03787 -0.10566 99 6PY -0.22319 -0.04557 -0.15404 -0.06065 -0.06397 100 6PZ 0.21124 -0.14083 -0.10407 -0.08032 -0.00969 101 7D 0 0.00626 0.06049 -0.03144 0.00921 0.03685 102 7D+1 0.01927 -0.01717 -0.19478 0.07837 0.10809 103 7D-1 -0.04492 0.12141 -0.08421 -0.04942 0.09154 104 7D+2 -0.01826 -0.08833 0.06324 0.04058 -0.03433 105 7D-2 -0.02615 -0.15604 -0.07856 0.13789 -0.03102 106 8D 0 -0.03050 -0.12201 0.06653 -0.00022 -0.08125 107 8D+1 -0.09457 0.03445 0.40246 -0.17428 -0.22953 108 8D-1 0.20254 -0.25031 0.17268 0.10660 -0.19769 109 8D+2 0.08113 0.18098 -0.13020 -0.08384 0.09323 110 8D-2 0.11344 0.32094 0.16059 -0.29634 0.05864 111 6 Cu 1S 0.08723 0.01801 0.00854 0.00801 -0.00074 112 2S 0.16897 0.05037 0.02391 -0.03550 0.00500 113 3S 0.06200 -0.16351 -0.07865 0.09902 -0.00956 114 4PX -0.00288 0.00677 -0.01274 0.00684 0.00351 115 4PY 0.00558 0.00085 -0.01040 -0.01039 0.00409 116 4PZ -0.00571 0.00943 0.00165 0.00463 0.00041 117 5PX 0.05920 -0.12533 0.19195 -0.01318 -0.04756 118 5PY -0.03717 0.02288 0.18034 0.03738 -0.03470 119 5PZ -0.19180 -0.18050 -0.03974 -0.12120 0.00093 120 6PX -0.11143 -0.00206 0.01476 -0.04600 0.07837 121 6PY 0.18698 0.00616 0.01219 0.07056 0.04250 122 6PZ -0.10371 -0.07000 -0.03136 0.07044 0.00418 123 7D 0 0.10619 0.02577 -0.06597 0.03084 0.02426 124 7D+1 -0.10209 0.02507 -0.23451 0.03000 0.08200 125 7D-1 0.05801 0.20275 -0.08135 0.01157 0.06211 126 7D+2 -0.04556 0.03749 0.09225 0.06320 -0.01605 127 7D-2 -0.14832 0.09524 0.06316 0.15595 -0.02966 128 8D 0 -0.23292 -0.04443 0.14547 -0.04526 -0.05484 129 8D+1 0.23330 -0.06085 0.49736 -0.05280 -0.17859 130 8D-1 -0.14712 -0.42600 0.17319 -0.04503 -0.13177 131 8D+2 0.08996 -0.08818 -0.17970 -0.12793 0.03403 132 8D-2 0.30935 -0.20331 -0.14328 -0.30811 0.06038 133 7 Cu 1S -0.03189 -0.00145 -0.03556 0.03628 0.04614 134 2S -0.14139 -0.00475 -0.08894 0.06849 0.08546 135 3S -1.43196 -0.00994 0.20919 -0.65019 -0.85635 136 4PX 0.00070 0.00629 -0.00336 0.02308 -0.00217 137 4PY -0.00744 0.00006 0.00946 0.00274 0.01032 138 4PZ 0.00313 -0.00473 -0.00765 -0.00233 0.02004 139 5PX -0.44427 -0.16151 0.06997 -0.16426 -0.08097 140 5PY 0.15391 -0.00152 -0.27660 -0.10609 -0.18711 141 5PZ -0.65211 0.12544 0.14208 -0.06842 -0.17749 142 6PX -0.10807 -0.07236 0.03672 -0.04625 -0.13658 143 6PY -0.34475 0.01193 0.04575 -0.11248 -0.13324 144 6PZ -0.05241 0.04909 0.01977 -0.11917 -0.10258 145 7D 0 0.03478 0.03325 -0.01029 0.06134 -0.00649 146 7D+1 0.06978 -0.03054 -0.13718 0.04248 0.12315 147 7D-1 -0.13859 -0.03560 0.05081 -0.04695 0.16891 148 7D+2 -0.03377 0.01255 0.08779 0.03765 -0.00996 149 7D-2 -0.08115 0.07042 -0.00781 0.21163 -0.04841 150 8D 0 -0.09648 -0.05751 0.02352 -0.14052 0.02882 151 8D+1 -0.20455 0.05548 0.27010 -0.08159 -0.25604 152 8D-1 0.28410 0.06247 -0.09519 0.08776 -0.33271 153 8D+2 0.06526 -0.02357 -0.16216 -0.05870 0.01666 154 8D-2 0.15995 -0.12594 0.01367 -0.42278 0.09176 155 8 Cu 1S 0.09006 -0.01591 0.01042 -0.00331 0.00848 156 2S 0.17445 -0.04558 0.03385 0.01387 -0.02937 157 3S 0.02657 0.14255 -0.10636 -0.02993 0.08278 158 4PX -0.00320 -0.00628 0.00400 0.00022 0.00044 159 4PY 0.00573 -0.00303 -0.01197 0.00797 -0.00804 160 4PZ -0.00574 -0.01035 -0.00839 0.00079 0.00995 161 5PX -0.21292 0.11149 -0.06309 0.03628 -0.10166 162 5PY 0.00762 0.01433 0.21843 -0.07197 0.05129 163 5PZ 0.00090 0.19606 0.10480 -0.03385 -0.06911 164 6PX -0.01922 0.05801 -0.04819 -0.03393 0.08393 165 6PY 0.16606 -0.01133 0.02323 0.04260 0.06097 166 6PZ -0.16713 0.02984 0.00097 0.07173 -0.01191 167 7D 0 -0.08977 0.00573 -0.04640 0.02536 0.01383 168 7D+1 -0.05523 -0.06464 -0.20567 0.06222 0.07227 169 7D-1 -0.12617 -0.13987 0.09752 -0.06394 0.15465 170 7D+2 0.14435 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0.10650 -0.19608 0.03292 0.00232 15 7D-1 0.18054 0.02100 -0.16239 -0.02238 0.01904 16 7D+2 -0.00383 0.04947 -0.00045 0.04612 -0.07581 17 7D-2 0.13231 0.01012 -0.14143 0.03902 0.04095 18 8D 0 0.12469 -0.17795 0.12753 0.14841 0.13648 19 8D+1 0.09045 -0.26156 0.51291 -0.09358 0.00190 20 8D-1 -0.40322 -0.07031 0.41143 0.04689 -0.04327 21 8D+2 0.00289 -0.14797 0.01070 -0.12271 0.17071 22 8D-2 -0.29277 -0.02968 0.35862 -0.08121 -0.09131 23 2 Cu 1S -0.00552 0.01655 0.01221 -0.02468 0.04194 24 2S -0.04583 0.08105 0.08910 -0.17910 0.10498 25 3S -0.60515 0.40227 0.64215 -1.29668 -0.00965 26 4PX -0.01899 0.01388 0.00214 -0.00450 -0.00041 27 4PY 0.00639 -0.00792 -0.00689 -0.01380 0.00682 28 4PZ -0.00540 0.00774 -0.01523 0.00296 -0.01819 29 5PX 0.22801 0.55055 -0.53809 1.06770 -0.06927 30 5PY 0.10461 -0.81606 -0.97386 -0.38848 -0.14405 31 5PZ -0.11151 0.80775 -0.89613 -0.57507 0.16310 32 6PX 0.16103 0.43236 -0.29095 0.57906 -0.02074 33 6PY -0.01560 -0.62144 -0.60645 -0.21859 0.04076 34 6PZ 0.00689 0.61206 -0.53749 -0.35573 -0.17624 35 7D 0 0.00205 -0.09078 0.19112 0.03900 -0.02214 36 7D+1 -0.07541 0.05905 -0.05768 -0.03651 0.05761 37 7D-1 0.10887 0.01509 -0.01273 0.00577 0.18338 38 7D+2 0.00944 0.14718 0.05937 0.12884 0.05730 39 7D-2 0.07995 -0.06605 -0.06730 -0.03021 0.02196 40 8D 0 -0.01594 0.25569 -0.57369 -0.10992 0.04550 41 8D+1 0.15680 -0.18585 0.12013 0.11067 -0.13884 42 8D-1 -0.19901 0.00613 0.02994 0.00231 -0.46689 43 8D+2 0.00227 -0.40756 -0.17364 -0.39579 -0.14165 44 8D-2 -0.16692 0.20922 0.17196 0.04897 -0.05953 45 3 Cu 1S 0.01799 -0.27872 -0.00263 -0.00596 0.00250 46 2S 0.01391 -0.38375 -0.00314 -0.00728 0.00469 47 3S 0.95694 5.36414 0.06287 0.12964 -0.03943 48 4PX -0.00593 -0.01801 0.00194 -0.00449 0.00977 49 4PY 0.01171 0.03589 0.00394 0.00133 0.01170 50 4PZ -0.01110 -0.03395 0.00219 0.00169 0.00751 51 5PX 0.10397 0.65247 -0.09820 0.22251 -0.07514 52 5PY -0.20362 -1.30671 -0.19443 -0.05530 -0.08350 53 5PZ 0.19424 1.24237 -0.11816 -0.10175 -0.05939 54 6PX 0.03406 0.15593 0.15026 -0.28687 -0.01090 55 6PY -0.06970 -0.30054 0.24968 0.02613 -0.00745 56 6PZ 0.06598 0.27558 0.18794 0.19471 -0.01090 57 7D 0 -0.01566 -0.04362 0.04381 0.04580 0.04728 58 7D+1 -0.05117 -0.12872 0.02734 -0.02924 0.00924 59 7D-1 0.09753 0.25761 0.00854 -0.01266 -0.00500 60 7D+2 0.03902 0.10191 0.05055 -0.01757 0.09326 61 7D-2 0.05124 0.13570 -0.00528 0.04358 -0.03848 62 8D 0 0.03092 0.11169 -0.11766 -0.13407 -0.11026 63 8D+1 0.10188 0.32628 -0.05139 0.07843 -0.02762 64 8D-1 -0.19330 -0.65373 -0.01540 0.01940 0.00897 65 8D+2 -0.07730 -0.25906 -0.14369 0.06068 -0.21346 66 8D-2 -0.10153 -0.34469 0.02761 -0.10053 0.08656 67 4 Cu 1S -0.00515 0.01598 0.01493 0.02201 0.02815 68 2S -0.04470 0.07519 0.11110 0.16479 0.07097 69 3S -0.60998 0.35974 0.81181 1.21064 0.00229 70 4PX 0.00186 0.00106 -0.01628 0.00162 -0.01353 71 4PY 0.00291 -0.00620 -0.00169 0.01468 0.00434 72 4PZ -0.02054 0.01676 -0.00177 0.00185 -0.00578 73 5PX -0.14442 0.36426 -0.76175 1.05625 0.10677 74 5PY 0.17014 -0.80161 -0.89618 0.12041 -0.11789 75 5PZ 0.15695 0.95445 -0.74692 -0.72260 0.00935 76 6PX -0.04245 0.27157 -0.47354 0.63202 -0.13815 77 6PY 0.02136 -0.60400 -0.55481 0.06198 0.01869 78 6PZ 0.15840 0.72870 -0.40641 -0.36962 -0.07002 79 7D 0 -0.06546 0.18913 -0.04197 -0.05392 0.04478 80 7D+1 -0.04666 -0.05825 0.03318 0.03882 0.02596 81 7D-1 0.11533 0.00767 -0.05637 -0.01606 0.08253 82 7D+2 0.04217 0.01663 0.17673 -0.12997 0.02982 83 7D-2 0.05555 0.02375 -0.07119 0.05351 0.10581 84 8D 0 0.15336 -0.54930 0.10941 0.16382 -0.10585 85 8D+1 0.08358 0.14958 -0.14744 -0.10577 -0.06745 86 8D-1 -0.22168 0.01729 0.15130 0.08537 -0.21029 87 8D+2 -0.07587 -0.02765 -0.51332 0.36855 -0.08359 88 8D-2 -0.09544 -0.03568 0.19489 -0.18483 -0.26531 89 5 Cu 1S 0.04609 -0.02054 0.00272 0.00117 0.00061 90 2S 0.25478 -0.18986 0.00583 -0.00023 0.00018 91 3S 0.53000 -1.24800 -0.02294 -0.03566 -0.02609 92 4PX 0.00591 -0.01039 -0.01237 0.02391 0.01059 93 4PY -0.01125 0.01986 -0.02128 -0.00251 0.01216 94 4PZ 0.01126 -0.01820 -0.01538 -0.01590 0.00824 95 5PX -0.56222 0.26266 -0.41193 0.79173 -0.15725 96 5PY 1.11543 -0.54043 -0.68052 -0.09094 -0.21564 97 5PZ -1.05223 0.53721 -0.51040 -0.50603 -0.11468 98 6PX 0.02960 0.27230 -0.17501 0.35972 0.21870 99 6PY -0.05099 -0.56178 -0.31628 -0.05636 0.26768 100 6PZ 0.06253 0.53309 -0.21393 -0.21241 0.16647 101 7D 0 -0.02843 0.01146 -0.11993 -0.16004 -0.13806 102 7D+1 -0.08056 0.01873 -0.01087 0.07212 -0.26703 103 7D-1 0.15643 -0.04018 0.00612 0.00386 -0.09532 104 7D+2 0.06107 -0.01638 -0.16129 0.09493 -0.10775 105 7D-2 0.08368 -0.02049 0.05962 -0.06028 -0.02295 106 8D 0 0.05111 -0.03782 0.34951 0.47920 0.35508 107 8D+1 0.13935 -0.06812 0.00538 -0.21098 0.70078 108 8D-1 -0.26721 0.14527 -0.02597 0.00813 0.25081 109 8D+2 -0.10340 0.05955 0.48010 -0.29200 0.26693 110 8D-2 -0.14218 0.07602 -0.18948 0.15714 0.06649 111 6 Cu 1S 0.00536 0.09023 0.10692 0.16053 0.00410 112 2S 0.00988 0.12899 0.11265 0.16912 0.00143 113 3S -0.06560 -1.65036 -2.49287 -3.73570 -0.04214 114 4PX -0.00279 -0.00905 -0.00878 -0.02368 -0.00953 115 4PY 0.00061 0.01305 0.01863 0.02091 -0.00160 116 4PZ 0.01314 0.00197 0.01963 0.02764 -0.00953 117 5PX 0.06042 0.36413 0.34865 0.93383 0.10387 118 5PY -0.02601 -0.52103 -0.80542 -0.93409 0.01612 119 5PZ -0.24570 -0.09353 -0.52788 -0.71635 0.07157 120 6PX -0.03559 -0.02403 0.33895 0.08348 -0.06225 121 6PY 0.04525 0.15856 -0.07548 -0.39767 -0.07882 122 6PZ 0.01457 -0.45755 0.00873 -0.06437 -0.02042 123 7D 0 0.05097 -0.07446 0.00535 -0.01477 -0.03955 124 7D+1 -0.12343 -0.01095 -0.05449 -0.13986 0.03138 125 7D-1 0.17635 0.02411 0.12489 0.12450 -0.00797 126 7D+2 0.05183 -0.03575 -0.08123 0.00091 0.04900 127 7D-2 0.04391 -0.09692 -0.08916 -0.17044 -0.02540 128 8D 0 -0.10810 0.20968 -0.00044 0.04869 0.09024 129 8D+1 0.27334 0.03191 0.15242 0.34468 -0.07464 130 8D-1 -0.39432 -0.07967 -0.31153 -0.32270 0.01894 131 8D+2 -0.11732 0.08429 0.22445 -0.00671 -0.12432 132 8D-2 -0.10219 0.23661 0.22597 0.45110 0.06730 133 7 Cu 1S -0.00761 0.01742 -0.02837 0.00243 -0.07297 134 2S -0.05142 0.08325 -0.20171 0.01612 -0.18170 135 3S -0.58910 0.39582 -1.44030 0.10894 0.06090 136 4PX 0.00243 0.00026 0.00912 0.01327 0.01376 137 4PY 0.02027 -0.01695 -0.00094 -0.00285 -0.01185 138 4PZ -0.00157 0.00540 0.01095 -0.01067 0.02404 139 5PX -0.15135 0.34609 -0.39550 1.23110 -0.21394 140 5PY -0.14607 -0.95444 -1.03260 -0.16472 0.04007 141 5PZ -0.17821 0.77802 -0.47021 -0.80837 -0.31604 142 6PX -0.04256 0.25939 -0.22082 0.75307 0.10928 143 6PY -0.14920 -0.73164 -0.55081 -0.11193 -0.11239 144 6PZ -0.02457 0.57895 -0.27909 -0.49159 0.19862 145 7D 0 0.00915 -0.10841 -0.02743 0.19423 0.13148 146 7D+1 -0.04858 -0.01858 0.00449 -0.07583 0.27061 147 7D-1 0.11055 0.01868 0.04987 0.02642 -0.13241 148 7D+2 0.08328 -0.14684 -0.06260 -0.11346 -0.00578 149 7D-2 0.04606 0.06565 0.05762 0.01483 -0.06970 150 8D 0 -0.03589 0.30219 0.07253 -0.56472 -0.32244 151 8D+1 0.08144 0.02346 -0.04540 0.22785 -0.68511 152 8D-1 -0.20995 -0.01383 -0.16505 -0.04129 0.33942 153 8D+2 -0.18123 0.43920 0.18117 0.31374 0.03116 154 8D-2 -0.08079 -0.16745 -0.19156 -0.08607 0.17326 155 8 Cu 1S 0.00654 0.09853 0.08440 -0.16891 0.00598 156 2S 0.01347 0.13790 0.08874 -0.17711 0.00269 157 3S -0.06803 -1.84537 -1.97139 3.94874 -0.04703 158 4PX 0.01313 0.00940 0.01977 -0.03989 -0.00937 159 4PY -0.00214 0.01072 0.01127 -0.01108 0.00080 160 4PZ 0.00163 -0.01074 -0.00251 0.01611 -0.01281 161 5PX -0.25077 -0.37233 -0.61720 1.22729 0.05982 162 5PY 0.02990 -0.43223 -0.52365 0.61586 0.00231 163 5PZ -0.02350 0.43201 0.17363 -0.78991 0.12370 164 6PX 0.03297 -0.39094 -0.08487 0.16936 -0.02579 165 6PY 0.03398 0.20311 0.05178 0.36161 -0.08532 166 6PZ -0.03900 -0.19323 0.30935 -0.17512 -0.03634 167 7D 0 -0.07394 0.01424 -0.07217 0.04701 0.07664 168 7D+1 -0.08146 -0.07567 -0.02964 0.17050 -0.01739 169 7D-1 0.12337 -0.08451 -0.04651 0.09191 -0.00497 170 7D+2 0.14262 -0.02468 0.03648 -0.12472 -0.03022 171 7D-2 0.08233 0.07628 0.11836 -0.12518 0.00885 172 8D 0 0.16181 -0.04223 0.20131 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5PX 0.05072 -0.02917 0.12404 -0.23791 0.05993 193 5PY -0.10056 0.06388 0.21253 0.02754 0.07707 194 5PZ 0.09385 -0.06938 0.14995 0.14894 0.04586 176 177 178 179 180 V V V V V EIGENVALUES -- 1.23370 1.28193 1.31044 1.31055 1.31674 1 1 Cu 1S -0.00084 0.00036 0.00479 -0.00011 -0.00470 2 2S 0.00053 0.00062 -0.00471 0.00097 -0.00408 3 3S 0.01882 -0.00243 0.01185 0.00163 0.04562 4 4PX 0.00909 -0.01603 -0.00008 0.00764 -0.01480 5 4PY -0.00331 0.00282 -0.00479 -0.00097 0.00232 6 4PZ -0.00539 0.01152 0.00025 -0.00545 0.01243 7 5PX -0.09654 0.26819 -0.20861 -0.57276 -0.10119 8 5PY 0.02444 -0.04830 0.81371 0.05215 0.04710 9 5PZ 0.05311 -0.19130 -0.41585 0.44361 0.02042 10 6PX 0.07871 -0.13220 0.13856 0.46765 0.06047 11 6PY -0.01591 0.02455 -0.59793 -0.04661 -0.04467 12 6PZ -0.06568 0.09507 0.27987 -0.35962 -0.02998 13 7D 0 0.04635 -0.13380 -0.12329 0.17089 -0.05101 14 7D+1 -0.02138 0.05189 -0.05112 -0.05529 0.01120 15 7D-1 -0.00009 -0.02053 0.03509 0.05007 -0.01805 16 7D+2 -0.03338 0.07832 -0.18192 -0.09752 0.02484 17 7D-2 0.02033 -0.01180 0.08058 -0.02841 0.02892 18 8D 0 -0.11923 0.35378 0.36963 -0.50443 0.11330 19 8D+1 0.05534 -0.13653 0.16441 0.16221 -0.02163 20 8D-1 0.00040 0.05886 -0.11407 -0.14790 0.03012 21 8D+2 0.08286 -0.20949 0.53487 0.28793 -0.04506 22 8D-2 -0.05006 0.02515 -0.24292 0.08501 -0.06236 23 2 Cu 1S -0.05832 0.00015 -0.02666 -0.04058 0.01049 24 2S -0.14614 0.00029 -0.08400 -0.12768 0.05719 25 3S 0.02802 -0.00251 -0.51752 -0.77171 1.43444 26 4PX 0.00003 -0.00043 -0.02071 -0.03293 0.00611 27 4PY -0.02184 -0.00745 0.03155 -0.00958 0.03156 28 4PZ 0.01254 -0.00795 0.02239 -0.02511 -0.03350 29 5PX 0.09574 0.00461 0.51055 0.80537 -0.46775 30 5PY 0.22486 -0.03664 -0.53606 0.28274 -0.79402 31 5PZ -0.20634 -0.03337 -0.48820 0.39453 0.92363 32 6PX 0.01960 -0.00210 -0.20022 -0.33404 -0.33655 33 6PY -0.20176 0.03956 0.61087 -0.07461 0.42394 34 6PZ 0.09147 0.03513 0.31296 -0.55844 -0.38616 35 7D 0 0.03348 0.04781 0.09153 -0.15650 -0.00511 36 7D+1 0.00511 0.20011 0.02455 -0.06680 0.24540 37 7D-1 -0.25854 -0.00599 -0.03523 -0.04098 -0.02133 38 7D+2 -0.07235 0.04045 0.15293 0.05573 -0.01424 39 7D-2 0.05231 0.19120 0.06177 0.00663 -0.22539 40 8D 0 -0.08355 -0.14587 -0.27066 0.44705 0.00867 41 8D+1 -0.01882 -0.54353 -0.10639 0.20656 -0.70133 42 8D-1 0.65947 0.01701 0.11685 0.13854 0.07835 43 8D+2 0.17099 -0.11897 -0.43586 -0.14651 0.05609 44 8D-2 -0.12355 -0.51897 -0.20425 0.00695 0.64138 45 3 Cu 1S 0.00179 0.00028 -0.00122 0.00180 0.00181 46 2S 0.00360 0.00051 -0.00268 0.00421 0.00429 47 3S -0.01736 -0.00169 0.01635 -0.00922 -0.00138 48 4PX -0.01268 0.00020 0.00503 0.00731 -0.02387 49 4PY 0.00367 -0.00002 0.00673 -0.00164 -0.00141 50 4PZ 0.01071 -0.00013 0.00445 -0.00580 0.01082 51 5PX 0.09339 -0.00089 0.21880 0.31238 0.71088 52 5PY -0.02546 0.00032 0.28511 -0.07245 0.04238 53 5PZ -0.07971 0.00045 0.18621 -0.23901 -0.32587 54 6PX 0.01277 -0.00089 -0.16822 -0.24436 -0.55863 55 6PY -0.00263 0.00026 -0.22319 0.05664 -0.03502 56 6PZ -0.01412 0.00030 -0.14191 0.18640 0.25762 57 7D 0 0.09559 -0.00084 -0.02565 0.04139 0.19017 58 7D+1 -0.03677 0.00023 -0.01342 -0.01737 -0.13155 59 7D-1 -0.00115 0.00011 -0.00191 -0.00607 -0.05039 60 7D+2 -0.03591 0.00039 -0.04224 -0.01549 -0.16566 61 7D-2 0.02336 -0.00064 0.01396 0.02050 0.15461 62 8D 0 -0.21901 0.00192 0.09262 -0.13936 -0.53040 63 8D+1 0.08438 -0.00044 0.06354 0.05929 0.36447 64 8D-1 0.00644 -0.00026 0.01332 0.03266 0.13715 65 8D+2 0.08019 -0.00081 0.14182 0.04576 0.46287 66 8D-2 -0.05932 0.00160 -0.04077 -0.08553 -0.42707 67 4 Cu 1S 0.06432 -0.00053 -0.02079 0.04191 -0.00784 68 2S 0.16101 -0.00139 -0.06673 0.13315 -0.04185 69 3S -0.02531 0.00223 -0.43451 0.83799 -1.02627 70 4PX -0.00943 0.00894 0.03591 0.01197 0.02415 71 4PY 0.02425 0.00582 0.02299 0.01004 -0.02294 72 4PZ -0.00937 0.00174 -0.01215 0.03871 0.00850 73 5PX 0.18783 0.04355 -0.74908 -0.10896 -0.85648 74 5PY -0.30013 0.03188 -0.35353 -0.35804 0.54748 75 5PZ 0.01659 0.00296 0.29193 -0.86278 -0.04705 76 6PX -0.06372 -0.04356 0.53368 0.37544 0.19065 77 6PY 0.21393 -0.03192 0.48510 -0.00024 -0.23376 78 6PZ -0.10517 -0.00426 -0.11309 0.48901 0.37808 79 7D 0 0.06118 -0.07035 0.07029 -0.06549 -0.14205 80 7D+1 -0.06784 -0.21989 0.06709 0.13599 -0.12616 81 7D-1 0.09370 -0.15576 0.08262 -0.04192 0.13165 82 7D+2 0.12889 0.05017 0.10891 0.07735 0.04838 83 7D-2 0.24453 0.02130 -0.10264 0.03921 -0.08357 84 8D 0 -0.13785 0.19255 -0.21173 0.17953 0.39854 85 8D+1 0.17032 0.60368 -0.23438 -0.39805 0.36958 86 8D-1 -0.24288 0.42438 -0.25391 0.08845 -0.38074 87 8D+2 -0.32420 -0.12080 -0.29507 -0.22548 -0.15134 88 8D-2 -0.62239 -0.06525 0.30438 -0.12669 0.23141 89 5 Cu 1S 0.00048 -0.00003 -0.00133 0.00102 -0.00019 90 2S 0.00054 -0.00015 -0.00289 0.00205 -0.00093 91 3S -0.00319 -0.00112 0.02147 -0.01385 -0.01303 92 4PX -0.01318 0.00044 -0.02925 -0.04257 -0.01361 93 4PY 0.00351 0.00006 -0.03889 0.01019 -0.00059 94 4PZ 0.01155 -0.00025 -0.02585 0.03340 0.00645 95 5PX 0.22148 -0.00875 0.78036 1.15532 -0.19145 96 5PY -0.06466 -0.00059 1.06741 -0.28361 -0.02063 97 5PZ -0.18628 0.00582 0.68757 -0.89863 0.09035 98 6PX -0.28777 0.00704 -0.42862 -0.64075 -0.01033 99 6PY 0.08425 0.00051 -0.57822 0.15725 0.00183 100 6PZ 0.24234 -0.00343 -0.38564 0.50935 0.00961 101 7D 0 -0.11827 0.00159 0.09040 -0.19579 -0.01659 102 7D+1 0.04250 -0.00078 -0.04253 0.07372 -0.02081 103 7D-1 0.16152 -0.00081 -0.03375 -0.03483 -0.04735 104 7D+2 -0.04249 -0.00075 0.18541 0.10362 0.02820 105 7D-2 -0.26104 0.00164 -0.09508 0.00233 0.04533 106 8D 0 0.29577 -0.00428 -0.25927 0.56633 0.04115 107 8D+1 -0.10559 0.00211 0.13069 -0.21256 0.07827 108 8D-1 -0.42610 0.00216 0.10120 0.10537 0.16181 109 8D+2 0.11771 0.00193 -0.53657 -0.30246 -0.08284 110 8D-2 0.68371 -0.00444 0.27791 -0.01369 -0.16200 111 6 Cu 1S 0.01057 0.00046 -0.00002 0.00149 -0.01249 112 2S 0.00547 0.00118 0.00700 -0.01112 -0.01109 113 3S -0.09939 0.00033 -0.00570 0.01317 0.11574 114 4PX 0.00102 0.01647 0.00744 0.00331 -0.01035 115 4PY 0.01124 0.01085 0.00479 0.00216 -0.01145 116 4PZ -0.01710 0.00296 -0.00073 0.00489 -0.00110 117 5PX 0.00040 -0.27333 -0.44723 -0.41526 -0.14857 118 5PY -0.11725 -0.18287 -0.56225 0.24770 0.04430 119 5PZ 0.10978 -0.04514 0.25744 -0.74234 -0.10614 120 6PX 0.07402 0.13522 0.36936 0.31166 0.08844 121 6PY -0.02866 0.09150 0.43115 -0.16009 0.01465 122 6PZ -0.00973 0.02175 -0.18824 0.55892 0.10756 123 7D 0 -0.09494 0.00231 -0.08575 0.20568 0.02974 124 7D+1 0.03146 -0.00469 0.06043 -0.04747 -0.03766 125 7D-1 -0.01403 0.02518 0.04385 0.04004 -0.00144 126 7D+2 -0.03082 -0.15136 -0.17984 -0.05710 0.03721 127 7D-2 0.00750 0.06140 0.03930 0.07357 -0.00182 128 8D 0 0.21806 -0.00756 0.25403 -0.60856 -0.08872 129 8D+1 -0.06952 0.00602 -0.18092 0.14336 0.08988 130 8D-1 0.03200 -0.07082 -0.12537 -0.12669 -0.01243 131 8D+2 0.07990 0.40104 0.53300 0.16013 -0.07385 132 8D-2 -0.01269 -0.16144 -0.10893 -0.22858 -0.00755 133 7 Cu 1S -0.00817 0.00010 0.04975 -0.00347 -0.00414 134 2S -0.02063 0.00026 0.15547 -0.01039 -0.01916 135 3S 0.00536 0.00094 0.91391 -0.04762 -0.39885 136 4PX 0.00992 -0.00893 -0.00502 0.03612 0.01854 137 4PY -0.00278 0.00155 -0.04056 -0.00421 -0.00544 138 4PZ -0.00317 0.00637 -0.00143 -0.02541 0.00235 139 5PX -0.04126 -0.03402 0.24076 -0.67473 -0.75991 140 5PY 0.00903 0.00787 0.90194 0.06995 0.10920 141 5PZ -0.02727 0.02535 0.19929 0.46055 0.09663 142 6PX 0.11372 0.03928 0.09318 0.59726 0.25287 143 6PY -0.03011 -0.00708 -0.51608 -0.08091 -0.18500 144 6PZ -0.05057 -0.02821 0.18795 -0.43924 -0.04469 145 7D 0 0.00066 0.02137 0.02235 -0.12286 -0.04198 146 7D+1 0.03006 0.01979 -0.08741 0.06777 0.05193 147 7D-1 -0.05299 0.16257 -0.07017 0.06908 0.00847 148 7D+2 0.02538 -0.09083 0.07942 0.02621 0.10979 149 7D-2 0.03944 -0.21373 -0.10287 -0.11874 0.07970 150 8D 0 -0.00825 -0.04381 -0.05632 0.34420 0.13282 151 8D+1 -0.07325 -0.06000 0.26605 -0.19740 -0.14739 152 8D-1 0.13400 -0.44357 0.17760 -0.22782 -0.02163 153 8D+2 -0.05829 0.24046 -0.23057 -0.05551 -0.31962 154 8D-2 -0.10161 0.58733 0.28466 0.38070 -0.23528 155 8 Cu 1S -0.00898 -0.00025 -0.00112 -0.00206 0.01920 156 2S -0.00380 -0.00045 0.00512 0.00893 0.01969 157 3S 0.09497 0.00416 -0.01385 -0.00698 -0.15695 158 4PX 0.01144 -0.00048 -0.00197 -0.00391 0.00035 159 4PY -0.01382 -0.01376 0.00631 -0.00268 0.00751 160 4PZ 0.00372 -0.01442 0.00519 -0.00503 0.00005 161 5PX -0.05642 0.00500 0.29129 0.48288 0.06475 162 5PY 0.13098 0.23344 -0.70987 -0.18795 -0.10406 163 5PZ -0.02867 0.23702 -0.15437 0.69407 0.17448 164 6PX 0.03113 -0.00042 -0.22319 -0.36523 -0.10500 165 6PY -0.00879 -0.11634 0.54049 0.11067 0.03116 166 6PZ -0.07916 -0.11735 0.15294 -0.51876 -0.09779 167 7D 0 -0.00762 0.13132 -0.06521 0.16644 0.02605 168 7D+1 0.01291 -0.04675 0.03634 -0.10764 0.00352 169 7D-1 0.00061 -0.00478 -0.01912 -0.03806 -0.01687 170 7D+2 0.08980 0.07409 -0.16463 -0.11044 -0.05397 171 7D-2 -0.02733 -0.04961 0.12153 0.01947 0.01296 172 8D 0 0.00801 -0.34503 0.18993 -0.49101 -0.08109 173 8D+1 -0.03023 0.12888 -0.10809 0.31649 -0.00056 174 8D-1 -0.00714 0.01236 0.06653 0.12715 0.05170 175 8D+2 -0.20903 -0.19496 0.48812 0.33143 0.14611 176 8D-2 0.06611 0.13658 -0.35783 -0.05651 -0.02859 177 9 C 1S -0.00024 0.00000 -0.00009 0.00003 0.00008 178 2S 0.00358 0.00014 -0.00076 0.00015 -0.00101 179 3S -0.00804 -0.00046 0.01839 -0.01169 -0.00041 180 4PX 0.06474 -0.00063 0.00196 0.00248 -0.01300 181 4PY -0.01804 0.00006 0.00425 -0.00047 -0.00166 182 4PZ -0.05650 0.00043 0.00085 -0.00146 0.00729 183 5PX 0.07988 0.00147 -0.07258 -0.09851 0.01503 184 5PY -0.02629 0.00003 -0.08926 0.02119 -0.00064 185 5PZ -0.06423 -0.00043 -0.06576 0.07972 -0.00637 186 10 O 1S 0.00026 -0.00001 -0.00033 0.00022 0.00001 187 2S -0.00315 0.00009 0.00477 -0.00360 0.00022 188 3S 0.00353 -0.00012 -0.00677 0.00580 -0.00124 189 4PX 0.01633 0.00015 0.00636 0.00998 -0.00409 190 4PY -0.00530 0.00003 0.00976 -0.00260 -0.00078 191 4PZ -0.01328 -0.00005 0.00512 -0.00732 0.00200 192 5PX -0.08139 -0.00031 -0.00397 -0.00904 0.01100 193 5PY 0.02512 -0.00014 -0.00976 0.00377 0.00148 194 5PZ 0.06781 0.00004 -0.00199 0.00439 -0.00472 181 182 183 184 185 V V V V V EIGENVALUES -- 1.31704 1.32145 1.33051 1.33083 1.35495 1 1 Cu 1S 0.02120 -0.00029 -0.00809 0.00611 0.08259 2 2S 0.02428 -0.00040 -0.01318 0.00909 0.16166 3 3S -0.16339 0.00103 0.02217 -0.01863 -0.35443 4 4PX -0.00699 -0.00877 -0.00430 -0.00318 0.00348 5 4PY 0.00207 0.00156 0.00225 -0.00057 -0.02402 6 4PZ -0.00073 0.00636 0.00185 0.00322 0.01060 7 5PX 0.04229 -0.51269 0.38849 0.13270 -0.06434 8 5PY -0.11563 0.09002 -0.45791 0.40388 0.35807 9 5PZ 0.14673 0.36807 0.04806 -0.45587 -0.18621 10 6PX 0.01418 0.57485 -0.33135 -0.20369 0.03560 11 6PY 0.11936 -0.10120 0.41199 -0.35602 -0.05360 12 6PZ -0.05560 -0.41326 0.04759 0.35480 0.07325 13 7D 0 0.01645 0.10878 -0.02199 -0.16679 -0.09077 14 7D+1 0.01000 -0.04131 0.05999 0.00700 -0.05339 15 7D-1 -0.03069 0.02080 -0.04298 0.00547 0.03665 16 7D+2 0.04086 -0.06535 0.15735 -0.05459 -0.10019 17 7D-2 -0.02275 0.00395 -0.05015 0.05269 0.05698 18 8D 0 -0.05601 -0.37689 0.05857 0.50466 0.24597 19 8D+1 -0.02964 0.14358 -0.17677 -0.02241 0.13749 20 8D-1 0.08130 -0.06940 0.12243 -0.01299 -0.09400 21 8D+2 -0.10591 0.22497 -0.48134 0.17895 0.27621 22 8D-2 0.06878 -0.01730 0.15292 -0.15827 -0.15330 23 2 Cu 1S -0.00269 0.00046 -0.01106 -0.03045 0.02740 24 2S -0.01477 0.00248 -0.02813 -0.07876 0.06945 25 3S -0.36582 0.05966 0.07459 0.15903 -0.22505 26 4PX -0.00160 -0.00023 0.00987 0.03105 0.01034 27 4PY -0.01743 -0.02393 -0.00812 -0.02103 0.00440 28 4PZ -0.00144 -0.02706 0.00574 0.01985 -0.00529 29 5PX 0.12594 0.01455 -0.39487 -1.25820 -0.05852 30 5PY 0.64719 1.09192 0.57142 0.67323 -0.19939 31 5PZ 0.23517 1.20434 0.09605 -0.81609 0.19839 32 6PX 0.08928 -0.04754 0.32143 1.04764 0.23448 33 6PY -0.23587 -1.20860 -0.48670 -0.71894 0.02216 34 6PZ -0.03309 -1.28814 -0.00223 0.79433 -0.05462 35 7D 0 -0.04167 -0.22536 0.02108 0.15904 0.00605 36 7D+1 0.01477 0.10879 0.03556 -0.02189 0.04584 37 7D-1 0.00888 0.00762 0.00777 0.03911 0.15503 38 7D+2 -0.01845 -0.12429 -0.09598 -0.25134 -0.00320 39 7D-2 0.12958 0.09492 0.05084 0.01449 -0.04340 40 8D 0 0.12811 0.65327 -0.05661 -0.46699 -0.01795 41 8D+1 -0.04977 -0.33755 -0.12874 0.05914 -0.11963 42 8D-1 -0.02978 -0.02127 -0.01984 -0.10396 -0.45146 43 8D+2 0.05293 0.35947 0.28265 0.73590 0.00802 44 8D-2 -0.37745 -0.29716 -0.16423 -0.02451 0.11197 45 3 Cu 1S -0.00132 -0.00057 0.00164 -0.00299 -0.06686 46 2S -0.00242 -0.00110 0.00265 -0.00700 -0.12704 47 3S 0.02626 0.00217 -0.04439 0.01148 1.05212 48 4PX 0.00645 -0.00082 -0.00332 -0.01158 -0.00210 49 4PY 0.01909 0.00005 0.00759 -0.00588 0.00387 50 4PZ 0.01655 0.00050 0.01030 0.00027 -0.00351 51 5PX -0.19479 0.02175 -0.16438 -0.52480 0.06229 52 5PY -0.57921 -0.00059 0.34449 -0.24551 -0.09435 53 5PZ -0.50317 -0.01212 0.43895 0.01040 0.12542 54 6PX 0.15681 -0.01731 0.16139 0.53900 0.06338 55 6PY 0.45128 0.00023 -0.34399 0.25506 -0.15470 56 6PZ 0.40262 0.01015 -0.46134 -0.01035 0.10880 57 7D 0 0.24438 0.00777 -0.10743 -0.02017 -0.00580 58 7D+1 0.05232 -0.00431 0.02551 0.03053 -0.00144 59 7D-1 -0.00201 -0.00169 0.00379 -0.00329 0.00073 60 7D+2 0.21170 -0.00489 -0.02491 0.09762 -0.00484 61 7D-2 -0.02965 0.00517 0.00165 -0.04651 0.00134 62 8D 0 -0.68053 -0.02180 0.37753 0.06515 0.01832 63 8D+1 -0.14154 0.01205 -0.07871 -0.11828 0.00258 64 8D-1 0.00641 0.00439 -0.01756 0.00005 0.00009 65 8D+2 -0.59000 0.01385 0.09195 -0.33668 0.01598 66 8D-2 0.08551 -0.01401 0.00785 0.16596 -0.00288 67 4 Cu 1S -0.00796 -0.00056 0.03159 0.00768 0.02898 68 2S -0.04296 -0.00217 0.08173 0.02010 0.07499 69 3S -1.06466 -0.04826 -0.17375 -0.04043 -0.19788 70 4PX 0.00962 0.03045 -0.00433 0.00029 -0.00724 71 4PY -0.03371 0.01886 0.01670 0.00504 0.00871 72 4PZ 0.00657 0.00521 -0.04011 -0.00836 0.00612 73 5PX -0.15798 -1.36418 0.19453 -0.36777 0.16745 74 5PY 1.05133 -0.86339 -0.52359 -0.39554 -0.27235 75 5PZ 0.06335 -0.23394 1.58443 0.26619 0.07533 76 6PX 0.00569 1.45851 -0.24551 0.24094 -0.10990 77 6PY -0.37280 0.95972 0.61580 0.33519 0.10954 78 6PZ 0.37344 0.27061 -1.39142 -0.24773 0.15481 79 7D 0 -0.12022 -0.01643 0.25906 0.04556 0.02515 80 7D+1 -0.04569 -0.01588 -0.13486 -0.05986 0.01307 81 7D-1 0.21015 -0.05178 0.08112 -0.01375 0.01249 82 7D+2 -0.05592 0.26954 -0.01396 0.05028 0.06447 83 7D-2 -0.05482 -0.10828 -0.06181 -0.02492 0.15606 84 8D 0 0.33391 0.05455 -0.74998 -0.12468 -0.06235 85 8D+1 0.13323 0.06868 0.39708 0.19536 -0.03085 86 8D-1 -0.61266 0.16749 -0.25554 0.05198 -0.05010 87 8D+2 0.16196 -0.79278 0.04032 -0.16304 -0.18747 88 8D-2 0.14456 0.31379 0.17662 0.07512 -0.44682 89 5 Cu 1S -0.00222 0.00009 0.00209 -0.00076 -0.03434 90 2S -0.00676 0.00020 0.00587 -0.00133 -0.14154 91 3S 0.02321 0.00182 -0.02606 0.02615 0.73628 92 4PX 0.00302 0.00066 -0.01028 -0.03725 -0.01350 93 4PY 0.01139 -0.00013 0.02314 -0.01805 0.02818 94 4PZ 0.00867 -0.00038 0.03180 0.00049 -0.02431 95 5PX 0.05932 -0.03531 0.37293 1.26007 0.21755 96 5PY 0.15835 0.00251 -0.81698 0.62013 -0.49620 97 5PZ 0.14434 0.02057 -1.05346 -0.03408 0.37117 98 6PX -0.00376 0.01962 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0.03206 -0.00058 0.01992 0.02376 -0.37721 158 4PX 0.00067 -0.00009 -0.00073 -0.00083 0.01805 159 4PY 0.01241 -0.00656 0.00495 -0.00072 -0.01419 160 4PZ 0.01553 -0.00712 0.00388 -0.00241 0.01245 161 5PX -0.01697 -0.02179 0.12011 0.37919 -0.27623 162 5PY 0.13141 -0.43957 -0.44645 -0.31513 0.23387 163 5PZ 0.05978 -0.47236 -0.20231 0.48694 -0.23064 164 6PX 0.02288 0.02131 -0.11491 -0.39307 0.03046 165 6PY -0.09051 0.49272 0.41494 0.20117 -0.06982 166 6PZ -0.06216 0.52529 0.24328 -0.38291 0.08477 167 7D 0 -0.03656 -0.11063 -0.09042 0.12153 -0.06914 168 7D+1 0.03623 0.04801 0.03649 -0.06731 0.04190 169 7D-1 0.00578 0.00446 -0.00683 -0.03189 0.05857 170 7D+2 0.00037 -0.05853 -0.11532 -0.12420 0.12088 171 7D-2 0.03201 0.04687 0.07361 0.04203 -0.04892 172 8D 0 0.07663 0.38007 0.26753 -0.37015 0.19108 173 8D+1 -0.07074 -0.15894 -0.10342 0.20980 -0.11736 174 8D-1 -0.01645 -0.01557 0.01739 0.08887 -0.14929 175 8D+2 -0.01346 0.20199 0.34731 0.38430 -0.32990 176 8D-2 -0.05947 -0.15603 -0.22063 -0.13795 0.13539 177 9 C 1S -0.00023 -0.00002 0.00038 -0.00016 -0.01832 178 2S 0.00473 0.00018 -0.00247 0.00144 0.38968 179 3S 0.00033 -0.00032 -0.01230 0.00598 -0.57991 180 4PX 0.00125 -0.00076 0.01231 0.03362 -0.14747 181 4PY 0.01550 0.00017 -0.02761 0.01943 0.29391 182 4PZ 0.00548 0.00006 -0.02334 -0.00241 -0.27242 183 5PX -0.00501 0.00409 -0.05482 -0.21319 -0.01877 184 5PY -0.00918 -0.00010 0.12734 -0.10090 0.04327 185 5PZ -0.01440 -0.00231 0.18173 -0.00077 -0.03477 186 10 O 1S -0.00038 0.00001 0.00046 -0.00017 -0.00913 187 2S 0.00393 -0.00025 -0.00435 0.00175 0.02708 188 3S -0.00096 0.00050 0.00126 -0.00059 0.24536 189 4PX 0.00053 -0.00012 -0.00447 -0.02005 -0.03696 190 4PY 0.00503 0.00009 0.01056 -0.00873 0.07450 191 4PZ 0.00125 0.00007 0.01823 -0.00063 -0.06822 192 5PX -0.00279 -0.00032 0.01783 0.06884 -0.00761 193 5PY -0.01035 0.00007 -0.04182 0.03255 0.01652 194 5PZ -0.00569 -0.00007 -0.05840 0.00051 -0.01247 186 187 188 189 190 V V V V V EIGENVALUES -- 1.52536 1.64114 1.84269 1.84280 2.02085 1 1 Cu 1S -0.50594 -0.11038 -0.38864 -0.40954 0.56434 2 2S -1.09149 -0.23679 -0.83360 -0.87764 1.10230 3 3S -1.09261 -0.12356 -0.13748 -0.12259 -0.94875 4 4PX -0.01860 -0.00179 -0.00756 -0.02057 -0.00267 5 4PY -0.01349 -0.01029 -0.00821 -0.00618 0.00494 6 4PZ -0.02253 0.00027 -0.02215 -0.01401 -0.00483 7 5PX 0.66291 0.07476 0.31681 0.72514 -0.28248 8 5PY 0.56175 0.07201 0.51463 0.46516 -0.33394 9 5PZ 0.78804 0.08119 0.73909 0.49223 -0.31090 10 6PX -0.08150 0.05288 -0.21497 -0.18182 -0.06401 11 6PY 0.05499 -0.06461 -0.22400 -0.24459 0.56351 12 6PZ -0.12867 0.09645 -0.19527 -0.23918 -0.22947 13 7D 0 0.02896 -0.02123 0.08000 -0.03503 0.00001 14 7D+1 0.07791 -0.01126 0.03656 0.07826 -0.00652 15 7D-1 0.05443 -0.00474 0.06480 0.01345 -0.04342 16 7D+2 0.01774 -0.02790 -0.03219 0.05425 -0.01153 17 7D-2 0.04387 0.00551 0.01173 0.05083 -0.02882 18 8D 0 -0.08592 0.05471 -0.24165 0.10549 0.00726 19 8D+1 -0.23817 0.03217 -0.12989 -0.25497 0.03479 20 8D-1 -0.16627 0.02390 -0.21334 -0.04830 0.15189 21 8D+2 -0.04974 0.07360 0.10690 -0.15909 0.04520 22 8D-2 -0.13559 -0.00587 -0.04204 -0.17525 0.10066 23 2 Cu 1S 0.21136 -0.13419 1.01830 -0.24169 0.02898 24 2S 0.57634 -0.25657 2.14198 -0.50977 0.04050 25 3S 0.67574 1.61425 -1.43423 0.30619 -0.24371 26 4PX 0.03156 0.00071 0.02382 -0.00585 0.01861 27 4PY 0.01375 0.00190 0.01039 -0.00364 -0.02241 28 4PZ -0.01424 -0.00213 -0.01065 0.00178 0.02072 29 5PX -0.34798 0.08156 -0.85181 0.21777 -0.42567 30 5PY -0.15591 -0.45887 -0.44121 0.32584 0.48328 31 5PZ 0.16689 0.45757 0.54710 0.08438 -0.45017 32 6PX -0.07847 -0.33441 0.61881 -0.12836 0.71474 33 6PY -0.19086 0.00148 0.31624 0.04616 -0.67095 34 6PZ 0.19338 -0.00504 -0.25096 0.19407 0.61425 35 7D 0 -0.01584 -0.01733 0.00544 -0.03511 0.03972 36 7D+1 -0.06091 0.01676 0.01388 -0.05566 -0.03230 37 7D-1 -0.01696 0.00233 -0.03677 0.01212 0.03412 38 7D+2 0.02864 0.02588 -0.03179 -0.01493 -0.06459 39 7D-2 0.06162 -0.01863 -0.03691 -0.03959 0.03840 40 8D 0 0.05533 0.05608 -0.01076 0.12695 -0.13718 41 8D+1 0.20639 -0.06387 -0.03689 0.19962 0.10934 42 8D-1 0.06759 -0.02808 0.14220 -0.04601 -0.12971 43 8D+2 -0.09885 -0.08415 0.10110 0.05834 0.22218 44 8D-2 -0.20808 0.06959 0.12089 0.14747 -0.13052 45 3 Cu 1S -0.73392 0.32490 -0.00229 -0.00134 -1.14333 46 2S -1.55289 0.68093 -0.00398 -0.00298 -2.23398 47 3S 0.22786 -1.48339 0.01393 0.00133 3.67403 48 4PX 0.01082 -0.00213 0.00429 -0.00098 -0.00501 49 4PY -0.02149 0.00431 0.00193 0.00284 0.00994 50 4PZ 0.02042 -0.00390 -0.00048 0.00372 -0.00939 51 5PX -0.41210 0.10905 -0.22338 0.04923 -0.23957 52 5PY 0.83025 -0.22119 -0.09733 -0.15057 0.48400 53 5PZ -0.78921 0.20801 0.02138 -0.19206 -0.45961 54 6PX 0.10358 -0.11941 -0.03653 0.00810 0.09461 55 6PY -0.21987 0.24905 -0.01569 -0.02386 -0.19377 56 6PZ 0.21081 -0.22472 0.00324 -0.02665 0.19158 57 7D 0 0.01807 -0.00588 -0.01318 0.08474 0.00793 58 7D+1 0.05203 -0.01770 0.04324 0.00075 0.02407 59 7D-1 -0.10420 0.03594 0.01712 -0.00885 -0.04834 60 7D+2 -0.04169 0.01441 0.06540 0.03197 -0.01950 61 7D-2 -0.05467 0.01944 -0.04346 0.01823 -0.02535 62 8D 0 -0.05539 0.01805 0.03866 -0.26176 -0.03048 63 8D+1 -0.15872 0.05374 -0.13816 -0.00708 -0.09178 64 8D-1 0.31832 -0.10933 -0.05770 0.02874 0.18436 65 8D+2 0.12766 -0.04399 -0.19907 -0.10015 0.07428 66 8D-2 0.16673 -0.05902 0.13616 -0.06227 0.09668 67 4 Cu 1S 0.21079 -0.12962 -0.29433 1.00491 0.02945 68 2S 0.57561 -0.24697 -0.61983 2.11450 0.04270 69 3S 0.68940 1.61908 0.40244 -1.41119 -0.20628 70 4PX -0.01916 -0.00187 0.00351 -0.01441 0.00871 71 4PY 0.02265 0.00264 -0.00577 0.01712 -0.02035 72 4PZ 0.02272 -0.00045 -0.00492 0.01661 0.02819 73 5PX 0.22132 0.29475 0.05751 0.65791 -0.18181 74 5PY -0.24776 -0.50982 0.37269 -0.68740 0.43439 75 5PZ -0.25773 0.31218 0.20573 -0.53931 -0.63695 76 6PX 0.15990 0.09569 0.25986 -0.32419 0.22540 77 6PY -0.24856 -0.07064 -0.03853 0.49037 -0.59079 78 6PZ 0.03755 -0.31633 -0.08557 0.43002 0.98942 79 7D 0 -0.02357 0.03896 -0.01893 -0.00562 -0.09120 80 7D+1 -0.04432 -0.00755 -0.06971 0.01059 0.01934 81 7D-1 0.06447 -0.00494 -0.02468 -0.05907 0.01957 82 7D+2 -0.00819 0.00168 -0.00169 -0.01638 0.00913 83 7D-2 -0.04776 0.00640 0.01865 -0.01044 0.01949 84 8D 0 0.07646 -0.13234 0.06974 0.01749 0.31383 85 8D+1 0.15056 0.02131 0.25018 -0.02401 -0.06691 86 8D-1 -0.21500 0.01725 0.09465 0.19937 -0.07018 87 8D+2 0.03183 -0.01382 0.00634 0.06351 -0.03639 88 8D-2 0.17035 -0.04243 -0.07306 0.05345 -0.07819 89 5 Cu 1S 0.04981 0.27487 -0.00149 -0.00420 -0.15523 90 2S 0.20666 0.58496 -0.00389 -0.00982 -0.29847 91 3S 2.11046 -2.23185 -0.01855 -0.00784 -0.37580 92 4PX 0.01556 -0.01348 -0.02699 0.00575 -0.01850 93 4PY -0.03032 0.02661 -0.01106 -0.01779 0.03713 94 4PZ 0.02926 -0.02560 0.00158 -0.02226 -0.03494 95 5PX -0.13601 0.68787 0.94433 -0.19498 0.03023 96 5PY 0.25945 -1.36566 0.39668 0.63752 -0.07104 97 5PZ -0.25195 1.29743 -0.05232 0.76684 0.06184 98 6PX -0.10300 0.19803 0.10778 -0.02092 0.31449 99 6PY 0.20520 -0.41508 0.03981 0.06872 -0.63686 100 6PZ -0.20976 0.36189 -0.00513 0.08404 0.57404 101 7D 0 0.01226 -0.00053 -0.02257 0.04692 -0.01040 102 7D+1 0.03625 -0.01521 -0.01413 -0.03708 -0.03295 103 7D-1 -0.07426 0.02993 -0.03059 0.00613 0.06641 104 7D+2 -0.02948 0.01419 0.06019 0.00733 0.02606 105 7D-2 -0.04022 0.01571 -0.00776 -0.04044 0.03584 106 8D 0 -0.04035 0.00869 0.08334 -0.16072 0.03669 107 8D+1 -0.11715 0.07379 0.06360 0.14149 0.11515 108 8D-1 0.23945 -0.14588 0.12014 -0.02466 -0.23246 109 8D+2 0.09441 -0.06574 -0.21548 -0.02122 -0.09102 110 8D-2 0.12915 -0.07706 0.02038 0.15806 -0.12548 111 6 Cu 1S -0.50372 -0.09140 -0.16350 0.55321 0.56819 112 2S -1.08564 -0.19542 -0.34925 1.18266 1.10898 113 3S -1.07863 -0.16040 -0.02872 0.12522 -0.97151 114 4PX -0.01757 -0.00129 0.00336 0.02074 -0.00271 115 4PY 0.02243 -0.00042 0.01287 -0.02274 0.00525 116 4PZ 0.01453 0.00954 0.00468 -0.01047 -0.00457 117 5PX 0.61837 0.05519 -0.06766 -0.74806 -0.26471 118 5PY -0.77213 -0.06400 -0.42095 0.77172 0.30627 119 5PZ -0.60770 -0.06100 -0.24797 0.69348 0.34663 120 6PX -0.07898 0.05600 -0.11106 0.23898 -0.07523 121 6PY 0.14097 -0.09475 0.06467 -0.30323 0.25823 122 6PZ -0.04816 0.05874 0.08521 -0.33461 -0.54683 123 7D 0 -0.02394 0.03306 0.00453 0.02669 0.00615 124 7D+1 -0.04630 -0.00212 0.01797 0.05424 0.02812 125 7D-1 0.06032 -0.00855 0.05480 -0.04718 -0.04469 126 7D+2 -0.01888 0.00506 -0.09983 -0.00833 -0.00620 127 7D-2 -0.07251 0.01323 0.00945 0.08370 0.00465 128 8D 0 0.06740 -0.08522 -0.01922 -0.07182 -0.02960 129 8D+1 0.14246 -0.00409 -0.05899 -0.18585 -0.09881 130 8D-1 -0.18357 0.03566 -0.17751 0.15798 0.15747 131 8D+2 0.05800 -0.01247 0.30441 0.01906 0.01707 132 8D-2 0.22135 -0.03805 -0.01966 -0.27663 -0.02786 133 7 Cu 1S 0.20986 -0.12934 -0.72437 -0.75938 0.03505 134 2S 0.57298 -0.24504 -1.52182 -1.59624 0.05289 135 3S 0.67802 1.60548 1.06508 1.08934 -0.26601 136 4PX -0.02013 -0.00175 0.00975 0.01227 0.00874 137 4PY -0.02109 0.00052 0.01105 0.01155 -0.02919 138 4PZ -0.02324 -0.00272 0.01285 0.01205 0.01908 139 5PX 0.22332 0.28969 -0.26029 -0.62719 -0.17770 140 5PY 0.24104 -0.32275 -0.38523 -0.34552 0.65429 141 5PZ 0.26182 0.49603 -0.64729 -0.43790 -0.40844 142 6PX 0.16665 0.10882 0.38730 0.21549 0.20167 143 6PY -0.04925 0.30714 0.27429 0.32423 -1.01090 144 6PZ 0.23512 0.06852 0.26836 0.41022 0.52279 145 7D 0 0.01993 -0.02299 0.00352 -0.01660 0.03986 146 7D+1 0.05209 -0.00790 -0.02006 -0.00114 -0.02037 147 7D-1 0.05874 -0.00290 0.00289 0.06620 0.01399 148 7D+2 0.02302 -0.03204 0.01767 -0.00231 0.08242 149 7D-2 0.04177 0.00803 0.06674 -0.02066 -0.02267 150 8D 0 -0.06879 0.08385 -0.01235 0.06157 -0.13358 151 8D+1 -0.18541 0.04771 0.08518 0.01625 0.08154 152 8D-1 -0.19565 0.00957 0.00048 -0.22995 -0.05157 153 8D+2 -0.07307 0.10526 -0.06593 0.00637 -0.28575 154 8D-2 -0.14189 -0.02345 -0.23317 0.08630 0.07796 155 8 Cu 1S -0.50548 -0.10308 0.55790 -0.13869 0.56117 156 2S -1.08947 -0.22115 1.19366 -0.29485 1.09555 157 3S -1.07604 -0.14711 0.13980 0.01003 -0.95137 158 4PX 0.02385 0.00972 -0.02138 0.00495 -0.00236 159 4PY 0.01506 -0.00221 -0.01596 0.01143 0.00518 160 4PZ -0.01506 0.00219 0.01935 0.00364 -0.00486 161 5PX -0.92330 -0.10489 1.05907 -0.24926 0.46828 162 5PY -0.49593 -0.04948 0.46962 -0.35180 0.17162 163 5PZ 0.50401 0.04845 -0.58751 -0.10833 -0.17867 164 6PX 0.01103 0.01777 -0.45918 0.10694 -0.42844 165 6PY 0.11854 -0.08496 -0.17711 0.01566 0.32223 166 6PZ -0.11418 0.08947 0.16610 -0.07638 -0.29320 167 7D 0 -0.01618 -0.01244 -0.00023 -0.07150 0.01146 168 7D+1 -0.06747 0.01834 0.08138 0.04169 0.03059 169 7D-1 -0.04261 0.00608 0.04601 -0.00921 -0.01682 170 7D+2 0.02901 0.02070 -0.03777 -0.03009 -0.02296 171 7D-2 0.06686 -0.01986 -0.05354 0.07383 -0.03134 172 8D 0 0.05175 0.02765 -0.01352 0.21557 -0.03795 173 8D+1 0.20404 -0.05590 -0.26389 -0.13069 -0.11361 174 8D-1 0.13089 -0.01290 -0.15551 0.03231 0.04843 175 8D+2 -0.09283 -0.04534 0.13649 0.08318 0.07622 176 8D-2 -0.20190 0.05995 0.17450 -0.23520 0.11650 177 9 C 1S -0.01235 -0.02111 -0.00003 -0.00001 -0.00075 178 2S 0.29361 0.10466 0.00016 -0.00425 -0.18989 179 3S -0.74062 -3.26327 -0.01347 0.03217 -0.67791 180 4PX -0.08062 -0.11116 0.03090 -0.00623 0.01456 181 4PY 0.16120 0.22571 0.01407 0.02010 -0.02877 182 4PZ -0.14859 -0.20306 -0.00281 0.02648 0.02834 183 5PX 0.01291 -0.15062 -0.32868 0.07201 -0.27923 184 5PY -0.01817 0.30968 -0.13762 -0.21853 0.56469 185 5PZ 0.02508 -0.27684 0.02420 -0.27414 -0.52213 186 10 O 1S 0.00961 0.08099 0.00020 -0.00043 0.02122 187 2S -0.23330 -1.86362 -0.00575 0.01098 -0.65750 188 3S 0.51327 3.53575 0.01209 -0.02292 1.40210 189 4PX -0.01164 0.02003 -0.03819 0.00869 0.00899 190 4PY 0.02442 -0.04008 -0.01598 -0.02485 -0.01814 191 4PZ -0.02157 0.03676 0.00348 -0.03291 0.01526 192 5PX -0.05321 -0.41452 0.14710 -0.03136 -0.12569 193 5PY 0.10415 0.83430 0.06490 0.09301 0.25327 194 5PZ -0.09782 -0.76298 -0.01535 0.13064 -0.22682 191 192 193 194 V V V V EIGENVALUES -- 2.30651 2.31141 3.66680 11.93074 1 1 Cu 1S 0.10449 -1.24697 -0.11925 -0.39781 2 2S 0.19607 -2.34428 -0.19218 -0.61895 3 3S -0.30854 3.47667 -2.27486 -4.29900 4 4PX 0.00683 0.02060 -0.00482 0.00557 5 4PY -0.00365 0.02344 0.00541 -0.00075 6 4PZ -0.00806 0.02136 -0.00795 0.00783 7 5PX -0.09337 0.23906 0.22858 0.52969 8 5PY 0.00447 0.16115 -0.21392 0.77502 9 5PZ 0.02859 0.30651 0.37191 0.54323 10 6PX 0.30936 -0.12515 0.42694 0.32817 11 6PY -0.10444 0.59771 0.02336 1.04068 12 6PZ -0.17940 -0.37051 0.57927 0.21382 13 7D 0 -0.04213 -0.00664 -0.01859 0.00424 14 7D+1 0.01842 0.01378 -0.00759 0.00341 15 7D-1 0.01017 0.00541 -0.00650 0.01325 16 7D+2 0.01684 -0.00947 -0.02782 0.00953 17 7D-2 -0.02777 0.00662 0.00435 0.00698 18 8D 0 0.15147 0.01428 0.06882 -0.02101 19 8D+1 -0.06322 -0.07340 0.02931 -0.03262 20 8D-1 -0.03197 -0.03222 0.03936 -0.09613 21 8D+2 -0.06124 0.02842 0.10779 -0.04858 22 8D-2 0.09588 -0.03494 -0.00617 -0.05897 23 2 Cu 1S -0.57452 -0.39573 -1.03654 -1.29142 24 2S -1.09503 -0.75464 -1.74143 -2.04997 25 3S 1.66564 1.12444 6.16863 2.73986 26 4PX 0.00294 0.00091 0.06312 0.04050 27 4PY 0.02875 -0.02076 0.01015 0.04753 28 4PZ 0.01060 -0.03493 -0.01113 -0.04704 29 5PX 0.34441 0.25809 -0.55159 0.07201 30 5PY -0.30128 0.52854 -0.60297 0.59636 31 5PZ -0.40193 0.46610 0.59525 -0.57435 32 6PX -1.05096 -0.75969 -0.76597 -0.43016 33 6PY 0.90659 -1.13104 -0.74862 -0.50101 34 6PZ 0.81401 -1.25144 0.74103 0.52919 35 7D 0 0.03223 -0.08545 0.00621 -0.00103 36 7D+1 -0.01917 0.00562 -0.00517 -0.00537 37 7D-1 -0.01083 -0.00394 0.00448 -0.01701 38 7D+2 0.06096 -0.01983 -0.00980 0.00061 39 7D-2 -0.00201 0.02033 0.00616 0.00497 40 8D 0 -0.11326 0.30695 -0.01479 -0.00141 41 8D+1 0.07235 -0.01484 0.01680 0.05789 42 8D-1 0.03406 0.01162 -0.04898 0.14612 43 8D+2 -0.22200 0.06845 0.01994 0.01102 44 8D-2 0.00135 -0.07454 -0.02066 -0.05594 45 3 Cu 1S -0.00095 -0.00216 -0.60690 -0.15504 46 2S -0.00224 -0.00419 -1.03502 -0.22287 47 3S -0.01438 0.01968 -3.09044 -2.05900 48 4PX 0.00785 0.00565 -0.00732 0.00121 49 4PY -0.00218 0.00730 0.01462 -0.00238 50 4PZ -0.00623 0.00459 -0.01380 0.00233 51 5PX -0.09628 -0.07101 -0.23952 -0.11590 52 5PY 0.02850 -0.08892 0.47503 0.22852 53 5PZ 0.07088 -0.05615 -0.44851 -0.22160 54 6PX 0.42442 0.31362 -0.40247 -0.29606 55 6PY -0.11179 0.39516 0.80190 0.57995 56 6PZ -0.34308 0.25072 -0.76516 -0.54367 57 7D 0 0.03227 -0.01180 -0.00073 -0.00245 58 7D+1 -0.01195 0.01231 -0.00303 -0.00730 59 7D-1 0.00857 0.00747 0.00609 0.01456 60 7D+2 -0.01782 -0.03048 0.00266 0.00573 61 7D-2 -0.00535 0.01681 0.00317 0.00778 62 8D 0 -0.11522 0.04269 -0.00108 0.01227 63 8D+1 0.04264 -0.04256 -0.00016 0.03688 64 8D-1 -0.02956 -0.02622 0.00011 -0.07350 65 8D+2 0.06314 0.10884 -0.00101 -0.02895 66 8D-2 0.01784 -0.05964 0.00034 -0.03922 67 4 Cu 1S 0.63668 -0.29400 -1.03088 -1.29757 68 2S 1.21465 -0.56073 -1.73163 -2.05935 69 3S -1.81046 0.82949 6.15170 2.76580 70 4PX -0.00907 -0.03952 -0.02639 -0.04476 71 4PY -0.02372 -0.01817 0.02568 0.06299 72 4PZ -0.00002 -0.00763 0.05334 0.01425 73 5PX 0.45969 0.56198 0.57672 -0.41984 74 5PY 0.05176 0.50334 -0.80287 0.68715 75 5PZ -0.29203 0.26900 -0.21536 -0.23192 76 6PX -1.04847 -1.39621 0.73687 0.50146 77 6PY -0.31127 -1.11431 -1.00133 -0.69352 78 6PZ 1.00068 -0.79158 -0.35010 -0.12132 79 7D 0 -0.02654 0.00828 -0.01434 -0.00159 80 7D+1 0.01633 -0.02898 0.00290 -0.00200 81 7D-1 -0.01808 0.01367 0.00311 -0.00119 82 7D+2 -0.03741 -0.08669 0.00109 -0.00693 83 7D-2 0.03579 0.02810 0.00219 -0.01687 84 8D 0 0.09439 -0.02855 0.03980 0.03955 85 8D+1 -0.06280 0.10806 -0.00117 0.01402 86 8D-1 0.07366 -0.05134 -0.02773 0.00425 87 8D+2 0.13511 0.30844 -0.01775 0.06092 88 8D-2 -0.12739 -0.10028 -0.03443 0.14964 89 5 Cu 1S -0.00470 0.00562 1.14840 -3.44908 90 2S -0.00868 0.01106 1.94340 -5.52360 91 3S 0.01699 -0.01101 -5.52476 11.92800 92 4PX -0.03967 -0.02888 0.01084 0.03045 93 4PY 0.01078 -0.03780 -0.02206 -0.06009 94 4PZ 0.03146 -0.02286 0.02015 0.05743 95 5PX 0.72483 0.52388 1.32654 -2.55566 96 5PY -0.20541 0.71997 -2.63152 5.09803 97 5PZ -0.55762 0.40063 2.47394 -4.75542 98 6PX 0.03191 0.03215 -0.22350 0.16256 99 6PY -0.00565 0.03556 0.45180 -0.38034 100 6PZ -0.03138 0.03006 -0.37188 0.23104 101 7D 0 -0.04846 0.01640 -0.00088 0.00967 102 7D+1 0.01810 -0.02470 -0.00501 0.03266 103 7D-1 -0.01735 -0.01384 0.01036 -0.06546 104 7D+2 0.02942 0.04792 0.00469 -0.02645 105 7D-2 0.01390 -0.02811 0.00558 -0.03541 106 8D 0 0.17186 -0.05764 0.01508 -0.07392 107 8D+1 -0.06366 0.08991 0.06104 -0.24878 108 8D-1 0.06232 0.05137 -0.12356 0.49791 109 8D+2 -0.10549 -0.17002 -0.05222 0.20090 110 8D-2 -0.05201 0.10140 -0.06673 0.26897 111 6 Cu 1S -1.12646 0.53302 -0.12874 -0.38242 112 2S -2.11610 1.00234 -0.20662 -0.59616 113 3S 3.18223 -1.46418 -2.24228 -4.30936 114 4PX 0.02091 0.00013 -0.00436 0.00502 115 4PY -0.01723 0.01448 0.00811 -0.00802 116 4PZ -0.02216 0.01179 -0.00562 0.00158 117 5PX 0.16212 -0.17430 0.22754 0.48433 118 5PY -0.28484 0.08269 -0.38910 -0.51765 119 5PZ -0.14505 0.06283 0.19845 -0.80385 120 6PX -0.00122 0.32979 0.40936 0.29362 121 6PY 0.43107 0.02345 -0.60075 -0.13771 122 6PZ -0.50966 0.29744 -0.06033 -1.08122 123 7D 0 0.01243 0.00159 0.03211 -0.00860 124 7D+1 0.00445 0.02682 -0.00264 -0.00709 125 7D-1 0.00657 0.00647 -0.00877 0.01401 126 7D+2 0.01567 0.04109 0.00230 0.00123 127 7D-2 -0.01888 -0.01567 0.00752 -0.00305 128 8D 0 -0.03625 -0.00811 -0.12108 0.04141 129 8D+1 -0.00394 -0.09674 0.00028 0.05856 130 8D-1 -0.03519 -0.01439 0.04802 -0.10086 131 8D+2 -0.04999 -0.15061 -0.00599 -0.00649 132 8D-2 0.08798 0.04565 -0.02819 0.02875 133 7 Cu 1S -0.05975 0.68930 -1.04227 -1.28121 134 2S -0.11392 1.31233 -1.74983 -2.03526 135 3S 0.17333 -2.02557 6.20254 2.70933 136 4PX -0.03918 0.00583 -0.02922 -0.04593 137 4PY 0.00711 -0.00310 -0.05111 -0.01033 138 4PZ 0.02655 0.01590 -0.02787 -0.06156 139 5PX 0.66202 0.23186 0.60699 -0.43196 140 5PY -0.15242 0.35407 0.16795 0.25350 141 5PZ -0.49935 0.11282 0.80220 -0.66111 142 6PX -1.61985 -0.52625 0.77805 0.49039 143 6PY 0.40128 -1.18454 0.28068 0.09927 144 6PZ 1.20359 -0.13794 1.01388 0.67696 145 7D 0 0.08364 0.01783 0.00603 0.00627 146 7D+1 -0.03323 -0.02453 -0.00292 0.01772 147 7D-1 0.00357 -0.02273 0.00207 -0.00157 148 7D+2 -0.04547 0.01886 0.01215 -0.00111 149 7D-2 0.02566 -0.02591 -0.00322 0.00150 150 8D 0 -0.29782 -0.06445 -0.00614 -0.06659 151 8D+1 0.11901 0.08709 0.03672 -0.15458 152 8D-1 -0.01222 0.09078 -0.02529 0.01089 153 8D+2 0.16108 -0.06523 -0.04081 -0.01011 154 8D-2 -0.09402 0.09849 0.00067 -0.00810 155 8 Cu 1S 1.02237 0.71596 -0.12261 -0.39121 156 2S 1.92085 1.34637 -0.19705 -0.60938 157 3S -2.89252 -1.96913 -2.26261 -4.30618 158 4PX 0.02779 0.01906 -0.00161 -0.00256 159 4PY 0.00593 0.01320 0.00776 -0.00668 160 4PZ -0.01492 -0.00088 -0.00723 0.00631 161 5PX 0.22934 0.17568 0.02818 -1.01454 162 5PY 0.20471 0.06186 -0.35204 -0.25909 163 5PZ -0.12460 -0.17611 0.33955 0.26980 164 6PX 0.33438 0.24345 -0.31308 -1.11536 165 6PY -0.50379 -0.03189 -0.46972 0.10192 166 6PZ 0.17108 0.43780 0.45039 -0.04453 167 7D 0 -0.02144 0.04432 -0.01190 -0.00045 168 7D+1 -0.00161 0.00669 0.01743 -0.01223 169 7D-1 0.00922 0.00357 0.00125 0.00424 170 7D+2 -0.02678 0.01553 0.01966 0.00200 171 7D-2 -0.00409 0.00351 -0.01918 0.01299 172 8D 0 0.07285 -0.15948 0.04018 0.01460 173 8D+1 -0.01187 -0.03139 -0.07488 0.08373 174 8D-1 -0.04543 -0.02183 0.00237 -0.02194 175 8D+2 0.09979 -0.05150 -0.06505 -0.03255 176 8D-2 0.02802 0.00111 0.08195 -0.08781 177 9 C 1S 0.00014 -0.00019 0.01827 -0.04734 178 2S 0.00750 -0.01076 0.51106 -0.87726 179 3S -0.04678 0.06753 -1.49669 4.07746 180 4PX 0.05263 0.04104 0.01196 -0.05688 181 4PY -0.01214 0.04743 -0.02383 0.11307 182 4PZ -0.04487 0.03430 0.02192 -0.10633 183 5PX -0.48987 -0.36259 0.94725 -1.53374 184 5PY 0.12889 -0.45803 -1.89934 3.06880 185 5PZ 0.39639 -0.29302 1.75579 -2.84097 186 10 O 1S 0.00041 -0.00053 -0.00277 -0.01166 187 2S -0.01429 0.01902 0.64179 -0.50649 188 3S 0.03361 -0.04522 -1.82995 1.84692 189 4PX -0.07745 -0.05724 0.03732 -0.07011 190 4PY 0.02017 -0.07205 -0.07361 0.13905 191 4PZ 0.06294 -0.04632 0.07083 -0.13079 192 5PX 0.27674 0.21157 -0.02727 0.18258 193 5PY -0.06649 0.25167 0.04778 -0.35565 194 5PZ -0.23350 0.17594 -0.05864 0.34535 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 2.01143 2 2S 0.01752 0.38666 3 3S 0.01023 0.23292 0.40060 4 4PX 0.00356 0.02493 -0.04619 1.99191 5 4PY 0.00367 0.02150 -0.04716 0.00025 1.99109 6 4PZ 0.00406 0.02940 -0.05268 0.00050 0.00045 7 5PX -0.00242 -0.03409 -0.06965 0.04065 0.00512 8 5PY -0.00230 -0.02436 -0.05276 0.00423 0.04220 9 5PZ -0.00280 -0.04150 -0.08392 0.00452 0.00577 10 6PX -0.00099 0.01008 -0.01426 -0.00642 0.00610 11 6PY -0.00023 -0.01309 -0.02565 0.00412 -0.00770 12 6PZ -0.00133 0.01726 -0.01363 0.00611 0.00757 13 7D 0 -0.00034 -0.00558 -0.03308 -0.00198 -0.00082 14 7D+1 -0.00061 -0.01781 -0.13544 0.00021 0.00085 15 7D-1 -0.00162 -0.01986 -0.11463 0.00055 -0.00075 16 7D+2 -0.00075 -0.00530 -0.01183 0.00090 -0.00284 17 7D-2 -0.00101 -0.01519 -0.09819 -0.00233 0.00103 18 8D 0 -0.00015 0.00040 -0.00986 -0.00041 -0.00002 19 8D+1 -0.00013 -0.00020 -0.04183 -0.00068 0.00017 20 8D-1 -0.00055 -0.00268 -0.03611 0.00036 -0.00146 21 8D+2 -0.00036 -0.00018 -0.00332 -0.00004 -0.00067 22 8D-2 -0.00029 -0.00196 -0.03097 -0.00191 -0.00044 23 2 Cu 1S -0.00226 -0.00576 -0.00997 0.00079 0.00096 24 2S -0.00665 0.14479 0.08093 0.00574 0.00772 25 3S -0.00548 -0.09710 -0.18099 -0.00739 0.01920 26 4PX 0.00036 -0.00749 0.00231 0.00035 -0.00076 27 4PY -0.00044 -0.00610 0.00363 -0.00104 0.00132 28 4PZ -0.00415 -0.04886 -0.03169 -0.00193 -0.00144 29 5PX 0.00108 0.03363 0.02720 -0.00116 0.00507 30 5PY 0.00086 0.02327 0.00131 0.00486 -0.01050 31 5PZ -0.00273 0.08332 -0.00704 0.00774 0.01033 32 6PX -0.00173 0.02498 -0.00309 0.00163 0.00939 33 6PY -0.00122 0.01576 0.00035 0.00862 -0.00705 34 6PZ -0.00236 -0.01589 -0.05008 -0.01318 0.00101 35 7D 0 -0.00131 0.02239 0.17874 0.00534 0.01073 36 7D+1 0.00483 0.05496 0.15294 -0.01632 0.00317 37 7D-1 0.00332 0.03834 0.11996 0.00285 -0.01633 38 7D+2 -0.00093 0.00254 -0.02886 -0.00496 0.00529 39 7D-2 -0.00052 0.01214 0.01446 -0.00423 -0.00296 40 8D 0 0.00024 0.00580 0.06010 0.00242 0.00318 41 8D+1 0.00169 0.01788 0.05197 -0.00577 0.00093 42 8D-1 0.00137 0.01375 0.04183 0.00083 -0.00626 43 8D+2 -0.00026 0.00185 -0.00933 -0.00208 0.00146 44 8D-2 -0.00013 0.00606 0.00655 -0.00154 -0.00098 45 3 Cu 1S 0.00096 -0.00054 -0.00201 -0.00164 0.00016 46 2S -0.00048 -0.07761 -0.02381 0.00008 -0.01015 47 3S -0.00126 0.01904 0.03913 -0.00624 0.01192 48 4PX 0.00151 -0.00459 0.01011 0.00028 -0.00023 49 4PY -0.00050 -0.00788 0.00543 0.00015 -0.00017 50 4PZ 0.00222 -0.00444 0.01271 -0.00116 -0.00001 51 5PX 0.00020 0.02002 0.00881 -0.00107 0.00263 52 5PY -0.00001 0.01012 -0.01002 -0.00014 -0.00246 53 5PZ 0.00027 0.02535 0.01479 -0.00225 0.00442 54 6PX 0.00055 0.01319 0.02178 -0.01235 0.00760 55 6PY 0.00076 -0.01855 -0.01237 0.00112 0.00324 56 6PZ 0.00057 0.02273 0.03310 0.00413 0.00596 57 7D 0 -0.00260 -0.02704 -0.06536 0.00031 -0.00143 58 7D+1 -0.00509 -0.02496 -0.21798 0.00312 -0.00132 59 7D-1 0.00046 0.01355 -0.02682 0.00183 -0.00104 60 7D+2 -0.00097 -0.02402 0.01645 0.00094 -0.00219 61 7D-2 0.00002 0.01552 -0.05465 -0.00330 0.00068 62 8D 0 -0.00075 -0.00976 -0.02271 -0.00069 -0.00032 63 8D+1 -0.00149 -0.00985 -0.07428 0.00070 -0.00086 64 8D-1 0.00007 0.00639 -0.00741 0.00073 -0.00017 65 8D+2 -0.00030 -0.00760 0.00552 0.00059 -0.00038 66 8D-2 -0.00003 0.00621 -0.01731 -0.00105 0.00016 67 4 Cu 1S -0.00226 -0.00575 -0.01000 0.00096 0.00092 68 2S -0.00665 0.14475 0.08123 0.01882 0.00540 69 3S -0.00550 -0.09715 -0.18097 0.06855 0.00578 70 4PX -0.00406 -0.04459 -0.02931 0.00177 -0.00151 71 4PY 0.00034 0.00049 0.00933 0.00178 0.00091 72 4PZ -0.00098 -0.02225 -0.00908 0.00153 -0.00170 73 5PX -0.00267 0.07291 -0.01418 0.00451 0.00646 74 5PY 0.00152 0.01624 0.00849 -0.00725 -0.00879 75 5PZ -0.00005 0.05518 0.02277 -0.00053 0.01009 76 6PX -0.00196 -0.01834 -0.04546 0.02405 -0.00958 77 6PY -0.00116 0.02380 0.00833 -0.01015 -0.00115 78 6PZ -0.00221 0.01488 -0.02005 0.00678 0.00830 79 7D 0 0.00217 0.01695 -0.01401 -0.00290 0.00244 80 7D+1 0.00282 0.05363 0.21397 0.02431 0.00138 81 7D-1 0.00011 0.01829 0.01421 0.00198 -0.00850 82 7D+2 -0.00112 0.01522 0.12043 0.02140 0.00177 83 7D-2 0.00482 0.03761 0.09947 -0.00022 -0.01690 84 8D 0 0.00054 0.00607 -0.00473 0.00180 0.00013 85 8D+1 0.00134 0.01687 0.07260 0.00360 0.00111 86 8D-1 0.00011 0.00871 0.00683 0.00065 -0.00323 87 8D+2 0.00020 0.00420 0.04060 0.00082 0.00107 88 8D-2 0.00165 0.01293 0.03436 0.00048 -0.00631 89 5 Cu 1S -0.00194 -0.00405 -0.00970 0.00089 -0.00064 90 2S -0.00500 0.12205 0.10073 0.00876 0.01375 91 3S -0.00750 -0.04095 -0.11837 0.02360 0.07500 92 4PX -0.00142 -0.01485 -0.01187 0.00169 0.00115 93 4PY -0.00405 -0.05334 -0.02740 -0.00167 0.00175 94 4PZ -0.00095 -0.00752 -0.00958 -0.00053 0.00176 95 5PX -0.00022 0.03475 -0.00354 -0.00552 -0.00144 96 5PY -0.00269 0.12564 0.00687 0.00786 -0.00101 97 5PZ 0.00038 0.01750 -0.00615 0.00775 -0.00482 98 6PX -0.00033 -0.02508 -0.03061 -0.00416 -0.00015 99 6PY 0.00026 -0.03312 -0.02855 0.00099 0.01402 100 6PZ -0.00048 -0.02583 -0.03424 0.00471 -0.00577 101 7D 0 0.00097 -0.00766 -0.03474 -0.00116 -0.00898 102 7D+1 0.00054 0.02138 0.07673 -0.00184 0.00708 103 7D-1 0.00215 0.01609 0.09820 0.00571 0.01494 104 7D+2 0.00202 -0.01994 -0.06804 -0.01570 -0.01063 105 7D-2 0.00091 0.02184 0.10752 -0.00535 0.01864 106 8D 0 0.00019 -0.00002 -0.01006 0.00064 0.00018 107 8D+1 0.00025 0.01000 0.02767 -0.00079 0.00134 108 8D-1 0.00107 0.00527 0.03171 0.00091 0.00227 109 8D+2 0.00054 -0.00422 -0.02181 -0.00424 0.00137 110 8D-2 0.00063 0.00672 0.03502 -0.00294 0.00226 111 6 Cu 1S 0.00101 -0.00054 0.00035 0.00001 -0.00201 112 2S -0.00055 -0.04333 0.03035 -0.00912 0.00469 113 3S 0.00040 0.03184 0.04647 0.00267 -0.02510 114 4PX 0.00012 -0.00935 0.00363 -0.00009 0.00011 115 4PY 0.00190 -0.00418 0.00941 -0.00008 -0.00019 116 4PZ 0.00208 -0.00465 0.02522 -0.00013 -0.00081 117 5PX 0.00009 0.02030 -0.00265 -0.00067 0.00199 118 5PY 0.00030 0.02107 0.01674 0.00239 -0.00420 119 5PZ 0.00062 0.02344 0.01244 0.00089 -0.00736 120 6PX 0.00083 -0.00820 0.00771 0.00270 -0.00449 121 6PY 0.00023 0.01989 0.01670 0.00155 -0.00996 122 6PZ 0.00124 0.01267 0.02645 0.00739 -0.00312 123 7D 0 -0.00121 -0.01130 -0.04307 0.00006 -0.00041 124 7D+1 -0.00214 0.00410 -0.13245 0.00043 0.00201 125 7D-1 -0.00596 -0.03746 -0.18564 -0.00080 0.00275 126 7D+2 0.00148 0.03267 -0.00532 0.00032 -0.00323 127 7D-2 -0.00016 -0.00505 -0.03334 -0.00142 -0.00097 128 8D 0 -0.00033 -0.00357 -0.01476 -0.00007 -0.00117 129 8D+1 -0.00070 0.00203 -0.04420 0.00011 0.00102 130 8D-1 -0.00188 -0.01407 -0.06267 -0.00060 0.00089 131 8D+2 0.00039 0.01158 -0.00144 -0.00002 -0.00102 132 8D-2 -0.00002 -0.00050 -0.01153 -0.00017 -0.00038 133 7 Cu 1S 0.00081 -0.00231 -0.00604 -0.00242 -0.00150 134 2S -0.00184 -0.12260 0.00646 -0.00211 -0.00266 135 3S 0.00354 -0.06616 -0.02186 -0.01259 -0.01156 136 4PX 0.00071 -0.00694 0.00800 0.00121 -0.00107 137 4PY 0.00088 -0.00256 0.01207 -0.00105 0.00142 138 4PZ 0.00076 -0.00903 0.00809 -0.00200 -0.00114 139 5PX 0.00017 0.00700 0.01379 -0.00519 -0.00071 140 5PY 0.00031 0.00171 -0.00010 -0.00125 -0.00652 141 5PZ 0.00016 0.00929 0.01923 0.00027 -0.00066 142 6PX 0.00063 0.01032 0.00653 0.00761 -0.00547 143 6PY -0.00028 0.02232 0.00806 -0.00474 0.01100 144 6PZ 0.00094 0.00862 0.00671 -0.00737 -0.00685 145 7D 0 -0.00139 -0.01206 -0.00724 -0.00175 0.00006 146 7D+1 -0.00450 -0.03101 -0.04065 0.00278 0.00061 147 7D-1 -0.00436 -0.03595 -0.07374 0.00038 0.00189 148 7D+2 -0.00106 -0.01340 -0.01326 0.00136 -0.00063 149 7D-2 -0.00344 -0.02586 -0.05520 0.00112 0.00154 150 8D 0 -0.00047 -0.00473 -0.00314 -0.00111 -0.00029 151 8D+1 -0.00148 -0.01315 -0.01652 0.00077 -0.00037 152 8D-1 -0.00139 -0.01450 -0.02664 -0.00061 0.00084 153 8D+2 -0.00036 -0.00478 -0.00452 0.00096 -0.00056 154 8D-2 -0.00110 -0.01074 -0.02028 0.00026 0.00061 155 8 Cu 1S 0.00100 -0.00054 0.00038 -0.00231 -0.00159 156 2S -0.00055 -0.04328 0.03088 0.00803 0.00169 157 3S 0.00040 0.03182 0.04633 -0.01612 -0.02181 158 4PX 0.00232 -0.00256 0.02459 -0.00071 -0.00072 159 4PY 0.00151 -0.00537 0.00559 -0.00119 0.00017 160 4PZ 0.00049 -0.00955 0.01033 0.00016 -0.00019 161 5PX 0.00061 0.02069 0.01615 -0.00516 -0.00720 162 5PY 0.00021 0.02095 0.01349 -0.00291 -0.00151 163 5PZ 0.00024 0.02321 -0.00113 -0.00061 0.00007 164 6PX 0.00096 0.01854 0.02585 -0.01216 -0.00056 165 6PY 0.00021 0.01537 0.01365 0.00053 -0.01003 166 6PZ 0.00113 -0.00686 0.01293 -0.00526 -0.00174 167 7D 0 0.00092 0.03449 -0.03444 -0.00303 -0.00043 168 7D+1 -0.00221 -0.00903 -0.11725 0.00106 0.00142 169 7D-1 -0.00138 -0.00445 -0.08063 0.00280 -0.00192 170 7D+2 -0.00185 -0.00680 -0.06069 0.00192 -0.00123 171 7D-2 -0.00572 -0.03611 -0.17246 0.00189 0.00374 172 8D 0 0.00020 0.01213 -0.01094 -0.00066 0.00037 173 8D+1 -0.00066 -0.00213 -0.03948 0.00016 0.00021 174 8D-1 -0.00044 -0.00085 -0.02734 0.00075 -0.00056 175 8D+2 -0.00059 -0.00292 -0.02053 0.00077 -0.00129 176 8D-2 -0.00180 -0.01373 -0.05805 0.00015 0.00160 177 9 C 1S -0.00116 0.00973 -0.02193 0.00087 -0.00022 178 2S 0.00240 -0.02733 0.03404 -0.00102 0.00138 179 3S 0.00457 -0.02832 0.01511 -0.00944 -0.01149 180 4PX 0.00007 0.04213 0.01575 -0.00096 0.00012 181 4PY 0.00026 0.02551 -0.01310 -0.00044 0.00108 182 4PZ 0.00004 0.05141 0.02416 0.00368 -0.00097 183 5PX -0.00048 0.01630 0.00518 -0.00027 0.00233 184 5PY -0.00054 0.01323 0.00676 -0.00056 0.00841 185 5PZ -0.00052 0.01927 0.00543 0.00086 0.00088 186 10 O 1S -0.00072 -0.00301 0.01252 -0.00012 0.00017 187 2S 0.00157 0.00953 -0.02447 0.00004 -0.00139 188 3S -0.00053 0.00224 -0.04752 0.00178 0.00473 189 4PX -0.00057 -0.03586 -0.03975 0.00112 0.00123 190 4PY 0.00076 -0.03099 0.02776 -0.00022 0.00042 191 4PZ -0.00095 -0.04148 -0.06116 -0.00266 0.00236 192 5PX 0.00046 -0.02097 -0.01338 0.00076 -0.00202 193 5PY 0.00005 -0.02480 -0.00106 0.00072 -0.00201 194 5PZ 0.00061 -0.02280 -0.01817 -0.00206 -0.00167 6 7 8 9 10 6 4PZ 1.99209 7 5PX 0.00431 0.03268 8 5PY 0.00453 0.00690 0.02844 9 5PZ 0.04152 0.01192 0.00822 0.03745 10 6PX 0.00558 0.00254 0.00160 0.00347 0.02411 11 6PY 0.00482 0.00132 0.00019 0.00175 -0.00281 12 6PZ -0.00492 0.00354 0.00214 0.00416 -0.00267 13 7D 0 0.00174 -0.03466 -0.03403 0.07280 0.01889 14 7D+1 -0.00204 0.06006 -0.00551 0.04709 0.04529 15 7D-1 -0.00104 0.00031 0.05373 0.03660 -0.01321 16 7D+2 0.00077 0.04891 -0.05799 0.00088 0.02154 17 7D-2 0.00043 0.03426 0.05249 0.00131 0.06750 18 8D 0 0.00012 -0.01161 -0.01128 0.02363 0.00641 19 8D+1 -0.00161 0.01901 -0.00219 0.01451 0.01579 20 8D-1 -0.00107 -0.00014 0.01709 0.01146 -0.00418 21 8D+2 0.00071 0.01593 -0.01916 0.00030 0.00728 22 8D-2 0.00025 0.01065 0.01688 0.00015 0.02298 23 2 Cu 1S 0.00104 0.00059 0.00005 0.00330 0.00204 24 2S 0.02018 -0.00227 -0.00846 -0.04073 -0.00281 25 3S 0.06670 0.01565 0.00323 0.04361 0.01216 26 4PX 0.00171 -0.00334 0.00311 -0.00731 0.01052 27 4PY 0.00135 0.00434 -0.00634 -0.00408 -0.00238 28 4PZ 0.00175 0.00012 0.00064 0.00681 0.01585 29 5PX -0.00533 0.00076 -0.00242 0.00432 -0.00058 30 5PY -0.00217 -0.00474 0.00734 0.00508 -0.00034 31 5PZ 0.00547 -0.00246 -0.00233 0.01777 0.00491 32 6PX -0.00504 0.01044 0.00091 -0.00193 -0.02007 33 6PY -0.00136 -0.00159 0.00930 0.00300 0.00854 34 6PZ 0.02388 0.01124 0.00797 0.02016 -0.02170 35 7D 0 0.03065 -0.03145 -0.04508 -0.12042 0.02811 36 7D+1 0.00684 0.03538 -0.00899 -0.04791 -0.04963 37 7D-1 0.01228 -0.00952 0.02633 -0.05288 -0.00823 38 7D+2 0.00000 0.03230 -0.03026 0.01092 -0.02782 39 7D-2 0.00232 0.01177 0.02215 -0.00276 0.00206 40 8D 0 0.00184 -0.01075 -0.01490 -0.03985 0.00910 41 8D+1 0.00183 0.01094 -0.00284 -0.01576 -0.01713 42 8D-1 0.00234 -0.00328 0.00788 -0.01772 -0.00217 43 8D+2 -0.00001 0.01098 -0.01039 0.00353 -0.00906 44 8D-2 0.00048 0.00363 0.00732 -0.00124 0.00119 45 3 Cu 1S -0.00232 -0.00001 0.00055 -0.00015 -0.00036 46 2S 0.00263 -0.01062 0.02293 -0.02040 -0.01012 47 3S -0.01156 -0.01323 0.00229 -0.01902 -0.01679 48 4PX -0.00107 -0.00174 0.00062 -0.00328 -0.01456 49 4PY 0.00052 -0.00196 -0.00114 -0.00231 -0.00081 50 4PZ -0.00053 -0.00266 0.00126 -0.00348 0.00225 51 5PX -0.00293 0.00596 -0.00044 -0.00382 -0.00148 52 5PY 0.00056 0.00174 0.00492 0.00337 0.00462 53 5PZ -0.00362 -0.00435 0.00030 0.00262 -0.00280 54 6PX 0.00255 -0.00355 -0.00345 -0.00427 -0.01055 55 6PY -0.00305 0.00292 -0.00048 0.00422 0.00124 56 6PZ -0.01124 -0.00581 -0.00461 -0.00680 0.00471 57 7D 0 0.00361 -0.00165 -0.00578 0.00387 0.05145 58 7D+1 0.00274 0.02825 -0.00739 0.03908 -0.00948 59 7D-1 -0.00144 0.00510 0.00390 0.00586 0.01553 60 7D+2 0.00249 -0.01288 -0.00448 -0.01902 -0.03626 61 7D-2 0.00177 0.01153 0.00374 0.01689 0.01030 62 8D 0 0.00120 -0.00036 -0.00168 0.00141 0.01714 63 8D+1 0.00011 0.00987 -0.00180 0.01342 -0.00330 64 8D-1 -0.00017 0.00185 0.00092 0.00161 0.00524 65 8D+2 0.00046 -0.00453 -0.00159 -0.00628 -0.01194 66 8D-2 0.00078 0.00342 0.00121 0.00589 0.00368 67 4 Cu 1S 0.00092 0.00290 -0.00034 0.00164 0.00143 68 2S 0.01078 -0.03908 -0.00201 -0.01432 0.00601 69 3S 0.01222 0.03664 -0.00039 0.02860 0.04089 70 4PX -0.00137 0.00598 -0.00245 0.00474 -0.01054 71 4PY -0.00031 -0.00847 -0.00341 0.00181 -0.00380 72 4PZ 0.00075 -0.00151 0.00376 -0.00545 -0.01362 73 5PX 0.00915 0.01633 -0.00330 0.00210 0.00994 74 5PY 0.00324 0.00548 0.00520 -0.00384 -0.00182 75 5PZ -0.00189 0.00729 -0.00543 0.00434 -0.00207 76 6PX -0.00168 0.01867 0.00723 0.01164 0.01507 77 6PY 0.00871 0.00122 0.00736 -0.00257 -0.00356 78 6PZ -0.00454 0.00067 0.00433 0.01390 0.01860 79 7D 0 -0.01579 0.00687 -0.01223 0.05966 0.02442 80 7D+1 -0.00322 -0.09962 -0.00138 -0.02406 -0.01865 81 7D-1 -0.00128 -0.00198 0.02559 0.01353 0.01279 82 7D+2 0.01460 -0.08582 -0.02963 -0.04480 -0.00883 83 7D-2 0.00319 -0.01735 0.03835 -0.01760 -0.00181 84 8D 0 -0.00493 0.00234 -0.00419 0.01979 0.00791 85 8D+1 -0.00248 -0.03263 -0.00041 -0.00882 -0.00631 86 8D-1 -0.00070 -0.00110 0.00809 0.00436 0.00369 87 8D+2 0.00313 -0.02858 -0.01025 -0.01468 -0.00279 88 8D-2 0.00118 -0.00586 0.01210 -0.00598 -0.00114 89 5 Cu 1S 0.00138 0.00149 0.00443 0.00098 -0.00013 90 2S 0.00875 -0.01338 -0.03517 -0.00984 -0.00965 91 3S 0.01433 0.01146 0.04004 0.00607 0.00812 92 4PX -0.00123 -0.00654 0.00286 0.00394 0.00812 93 4PY -0.00218 0.00386 0.00563 0.00157 0.00045 94 4PZ 0.00119 0.00369 0.00004 -0.00479 -0.00163 95 5PX 0.01010 0.00988 0.00981 -0.00385 0.00458 96 5PY 0.00814 -0.00191 0.01741 -0.00442 0.00708 97 5PZ -0.00059 -0.00101 0.01189 0.00665 -0.00120 98 6PX 0.00508 0.00008 0.00139 0.00556 -0.02993 99 6PY -0.00398 0.00036 0.00742 -0.00228 -0.00114 100 6PZ 0.00029 0.00566 -0.00108 0.00402 0.01122 101 7D 0 -0.01009 0.00029 0.03290 0.04123 0.02577 102 7D+1 -0.00253 0.00823 -0.02904 0.00470 -0.00772 103 7D-1 -0.01066 -0.02751 -0.05992 0.01288 0.00152 104 7D+2 -0.00642 0.05241 0.03805 0.02069 -0.02543 105 7D-2 0.00493 -0.00345 -0.06846 -0.02253 -0.01465 106 8D 0 -0.00309 -0.00025 0.01078 0.01350 0.00870 107 8D+1 -0.00069 0.00263 -0.00895 0.00086 -0.00230 108 8D-1 -0.00432 -0.00825 -0.01899 0.00363 0.00070 109 8D+2 -0.00175 0.01693 0.01234 0.00695 -0.00875 110 8D-2 0.00097 -0.00209 -0.02155 -0.00681 -0.00536 111 6 Cu 1S -0.00199 0.00007 -0.00060 -0.00032 0.00080 112 2S 0.00462 0.01920 -0.02273 -0.02232 -0.00886 113 3S -0.01037 -0.00358 -0.01152 -0.01726 0.00670 114 4PX 0.00004 -0.00081 -0.00106 -0.00258 0.00256 115 4PY -0.00141 0.00037 -0.00235 -0.00226 -0.00113 116 4PZ -0.00028 -0.00224 -0.00719 -0.00445 0.00402 117 5PX -0.00039 0.00555 0.00012 0.00122 0.00013 118 5PY -0.00238 -0.00143 0.00502 -0.00543 -0.00069 119 5PZ -0.00280 -0.00033 -0.00353 0.00460 -0.00076 120 6PX 0.00061 -0.00011 0.00066 0.00052 0.01139 121 6PY 0.00142 -0.00485 -0.00175 -0.00112 0.00060 122 6PZ -0.01105 -0.00581 -0.00442 -0.00846 0.01264 123 7D 0 0.00249 -0.00454 0.01249 0.00092 0.03160 124 7D+1 -0.00142 0.00809 0.02579 0.01858 -0.04308 125 7D-1 0.00285 0.00007 0.02830 0.03043 -0.02777 126 7D+2 -0.00026 0.00903 0.00963 0.01522 -0.05007 127 7D-2 0.00247 -0.00133 -0.00350 -0.00295 0.00343 128 8D 0 0.00107 -0.00148 0.00435 0.00028 0.01063 129 8D+1 -0.00068 0.00275 0.00873 0.00606 -0.01436 130 8D-1 0.00037 0.00065 0.00942 0.01061 -0.00949 131 8D+2 0.00032 0.00294 0.00317 0.00526 -0.01662 132 8D-2 0.00069 -0.00080 -0.00135 -0.00060 0.00130 133 7 Cu 1S -0.00299 0.00112 0.00115 0.00127 0.00019 134 2S -0.00227 -0.00593 -0.00143 -0.00786 -0.02349 135 3S -0.01468 0.03085 0.02492 0.03669 -0.01918 136 4PX -0.00199 -0.00617 0.00145 0.00147 -0.00535 137 4PY -0.00111 0.00010 -0.00603 -0.00021 0.00048 138 4PZ 0.00033 0.00180 0.00167 -0.00539 0.00012 139 5PX 0.00013 0.01707 -0.00170 -0.00413 -0.01103 140 5PY -0.00139 -0.00117 0.01678 -0.00077 -0.00054 141 5PZ -0.00464 -0.00425 -0.00151 0.01477 -0.00083 142 6PX -0.00717 0.00191 0.00142 0.00156 0.01489 143 6PY -0.00592 0.00315 0.00304 0.00373 -0.00627 144 6PZ 0.00518 0.00120 0.00136 0.00181 -0.01115 145 7D 0 0.00237 0.01349 0.00231 -0.00988 0.00400 146 7D+1 0.00195 -0.00148 -0.00057 0.00978 -0.00377 147 7D-1 0.00131 0.00399 0.00460 0.00490 0.02069 148 7D+2 -0.00101 -0.00667 0.01117 0.00202 -0.01126 149 7D-2 0.00091 0.00783 -0.00122 0.00230 -0.00835 150 8D 0 0.00130 0.00478 0.00092 -0.00328 0.00122 151 8D+1 0.00021 0.00006 -0.00002 0.00421 -0.00133 152 8D-1 0.00004 0.00145 0.00202 0.00214 0.00627 153 8D+2 -0.00048 -0.00228 0.00408 0.00046 -0.00358 154 8D-2 -0.00046 0.00330 -0.00024 0.00098 -0.00271 155 8 Cu 1S -0.00032 -0.00046 -0.00051 0.00005 -0.00079 156 2S -0.00771 -0.03159 -0.01393 0.01415 -0.01904 157 3S 0.00325 -0.01766 -0.00906 -0.00716 -0.02457 158 4PX -0.00017 -0.00469 -0.00639 -0.00180 -0.00929 159 4PY -0.00049 -0.00233 -0.00080 0.00005 0.00007 160 4PZ -0.00003 -0.00349 -0.00267 -0.00213 -0.00776 161 5PX 0.00187 0.00261 -0.00301 -0.00086 -0.00502 162 5PY 0.00160 -0.00404 0.00609 -0.00283 -0.00116 163 5PZ -0.00098 0.00135 -0.00117 0.00638 0.00496 164 6PX 0.00323 -0.00686 -0.00461 -0.00795 -0.00733 165 6PY 0.00360 0.00132 -0.00171 -0.00322 0.00346 166 6PZ 0.00382 -0.00178 -0.00044 -0.00171 -0.01148 167 7D 0 0.00012 0.01694 0.01420 0.01557 0.04588 168 7D+1 -0.00004 0.01187 0.01902 0.00041 0.00355 169 7D-1 -0.00015 0.01238 0.00543 0.00476 0.03375 170 7D+2 0.00111 0.01856 0.01511 0.00131 -0.03706 171 7D-2 -0.00070 0.03056 0.02054 0.00573 0.02951 172 8D 0 -0.00012 0.00559 0.00478 0.00516 0.01541 173 8D+1 0.00006 0.00393 0.00650 0.00002 0.00148 174 8D-1 -0.00002 0.00464 0.00149 0.00170 0.01142 175 8D+2 0.00028 0.00627 0.00521 0.00076 -0.01270 176 8D-2 -0.00080 0.01021 0.00698 0.00258 0.00964 177 9 C 1S 0.00126 0.00139 0.00853 -0.00021 0.00331 178 2S -0.00177 -0.00232 -0.01447 0.00047 -0.00390 179 3S -0.01028 0.00058 -0.02063 0.00592 -0.00385 180 4PX 0.00358 0.00368 0.00391 -0.00961 -0.00302 181 4PY -0.00170 0.00381 -0.00555 0.00905 -0.00664 182 4PZ 0.00176 -0.00944 0.00908 -0.00543 0.00567 183 5PX 0.00017 0.00437 -0.00068 -0.00256 0.00134 184 5PY -0.00299 0.00003 0.00028 0.00150 0.00042 185 5PZ 0.00014 -0.00276 0.00054 0.00242 0.00002 186 10 O 1S -0.00020 -0.00114 -0.00228 -0.00104 0.00099 187 2S 0.00039 0.00196 0.00482 0.00157 -0.00133 188 3S 0.00132 0.00548 0.00889 0.00552 -0.00266 189 4PX -0.00303 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0.01651 -0.00075 27 4PY 0.01360 -0.00818 -0.01368 -0.00040 0.01099 28 4PZ 0.00752 -0.01165 -0.03430 -0.00786 -0.01204 29 5PX -0.00719 -0.00412 0.01109 -0.08369 0.01602 30 5PY -0.00122 0.00116 0.04228 0.01003 -0.07380 31 5PZ -0.00157 0.01147 0.16914 -0.00443 0.02992 32 6PX 0.00861 0.00455 -0.07448 -0.03678 0.04093 33 6PY -0.03769 0.00865 -0.01658 0.03100 -0.10154 34 6PZ -0.00953 0.01790 -0.06297 -0.01748 -0.01601 35 7D 0 0.03096 -0.02606 -0.03304 -0.01633 -0.02748 36 7D+1 -0.02093 -0.01120 -0.01576 0.05350 -0.00450 37 7D-1 -0.02206 0.00134 -0.02690 -0.00407 0.04764 38 7D+2 0.05274 0.00319 -0.00052 0.00689 -0.01344 39 7D-2 -0.03336 0.01152 -0.00789 0.01013 0.00683 40 8D 0 0.01054 -0.00846 -0.00689 -0.00362 -0.00559 41 8D+1 -0.00670 -0.00434 -0.00486 0.00844 -0.00046 42 8D-1 -0.00825 0.00022 -0.00679 -0.00035 0.00760 43 8D+2 0.01793 0.00090 -0.00050 0.00137 -0.00205 44 8D-2 -0.01102 0.00357 -0.00070 0.00102 0.00097 45 3 Cu 1S 0.00149 -0.00088 -0.00231 -0.00477 0.00227 46 2S -0.00072 -0.01383 -0.02180 -0.02520 0.01662 47 3S 0.01176 -0.02628 -0.07912 -0.16819 0.12362 48 4PX 0.00693 0.00033 -0.00017 -0.00202 0.00292 49 4PY 0.00437 -0.00614 -0.00101 0.00054 -0.00022 50 4PZ 0.00457 -0.01404 -0.00301 -0.00240 0.00006 51 5PX -0.00208 -0.00117 -0.00378 -0.02349 0.01294 52 5PY -0.00442 0.00749 0.00153 0.00743 -0.00534 53 5PZ -0.00188 -0.00374 -0.00870 -0.03351 0.01744 54 6PX 0.00824 0.00301 -0.02960 0.01034 0.01744 55 6PY 0.01367 -0.00514 0.03545 -0.01553 0.02037 56 6PZ 0.00466 -0.00878 0.04029 -0.01971 0.01625 57 7D 0 0.02495 -0.04664 -0.00011 -0.01023 -0.00233 58 7D+1 -0.03231 0.03739 -0.00923 -0.01056 0.00381 59 7D-1 -0.03045 0.00882 0.00665 0.00622 0.00521 60 7D+2 0.07295 -0.00136 -0.01099 0.00178 0.00722 61 7D-2 -0.05112 0.02148 -0.00268 0.00647 -0.00068 62 8D 0 0.00825 -0.01557 -0.00172 -0.00527 0.00008 63 8D+1 -0.01075 0.01232 -0.00484 -0.00687 0.00297 64 8D-1 -0.01042 0.00334 0.00342 0.00300 0.00140 65 8D+2 0.02409 -0.00031 -0.00361 -0.00041 0.00390 66 8D-2 -0.01720 0.00719 -0.00170 0.00346 -0.00029 67 4 Cu 1S 0.00212 0.00212 -0.00316 0.00069 -0.00083 68 2S -0.01196 0.00176 -0.03232 0.02961 0.00095 69 3S 0.02501 0.01998 -0.08780 0.21836 0.00235 70 4PX 0.01441 0.00506 0.00581 -0.02616 0.00152 71 4PY 0.01166 -0.00673 0.00242 -0.00167 0.00466 72 4PZ 0.00402 0.01131 0.01403 0.00092 0.00148 73 5PX -0.00062 0.00828 -0.04794 0.10665 -0.01289 74 5PY -0.00240 -0.00132 -0.01817 0.01516 -0.01505 75 5PZ -0.00641 0.00211 -0.05212 -0.04083 0.00139 76 6PX -0.02491 -0.00244 -0.01301 -0.00279 -0.01030 77 6PY -0.03086 0.01420 -0.03914 0.04158 -0.02675 78 6PZ 0.00301 -0.02433 0.06769 -0.11454 0.02073 79 7D 0 0.01315 -0.05570 0.01597 0.03473 0.00053 80 7D+1 -0.01828 -0.01785 0.04338 0.00615 -0.00084 81 7D-1 -0.02191 -0.00167 0.00113 -0.00258 -0.00458 82 7D+2 0.05680 0.00022 -0.01339 -0.03078 -0.00385 83 7D-2 -0.04305 -0.01140 -0.01005 0.00418 0.02822 84 8D 0 0.00476 -0.01901 0.00389 0.00523 0.00080 85 8D+1 -0.00583 -0.00664 0.00935 -0.00179 -0.00057 86 8D-1 -0.00720 0.00007 -0.00044 -0.00030 0.00016 87 8D+2 0.01881 0.00026 -0.00337 -0.00531 -0.00044 88 8D-2 -0.01508 -0.00354 -0.00382 0.00133 0.00574 89 5 Cu 1S 0.00325 -0.00092 -0.00085 -0.00092 -0.00070 90 2S 0.00132 -0.01391 -0.03025 0.00911 0.01380 91 3S 0.03791 0.00220 -0.14384 0.03179 0.11656 92 4PX -0.00918 0.00079 0.00741 0.00036 -0.00868 93 4PY -0.00906 0.00518 0.01501 -0.00414 -0.01261 94 4PZ -0.00836 0.00908 0.00709 0.00384 0.00516 95 5PX -0.00529 0.00186 -0.05074 -0.00031 0.04377 96 5PY 0.00238 0.01028 -0.09847 0.01988 0.07755 97 5PZ -0.00687 0.00427 -0.00223 -0.04529 -0.08195 98 6PX 0.02270 0.00527 -0.05206 0.02903 0.06946 99 6PY 0.01497 -0.01467 0.03967 -0.02501 -0.01819 100 6PZ 0.01797 -0.02648 0.06027 -0.03914 -0.05365 101 7D 0 -0.01205 -0.01862 -0.00142 0.00930 0.02630 102 7D+1 -0.01715 0.01269 0.01142 -0.00784 0.00800 103 7D-1 -0.00394 -0.02371 0.04021 0.01295 0.03198 104 7D+2 0.00180 0.00605 0.00098 0.02008 0.01499 105 7D-2 -0.00148 -0.00075 -0.00325 0.00979 -0.01238 106 8D 0 -0.00459 -0.00600 -0.00012 0.00134 0.00349 107 8D+1 -0.00673 0.00476 0.00105 -0.00202 -0.00095 108 8D-1 -0.00056 -0.00853 0.00881 0.00230 0.00558 109 8D+2 0.00061 0.00205 0.00054 0.00425 0.00438 110 8D-2 0.00008 -0.00011 -0.00185 0.00287 -0.00021 111 6 Cu 1S -0.00125 -0.00027 -0.00111 0.00000 -0.00601 112 2S -0.01119 -0.02072 -0.02545 0.00205 -0.03665 113 3S -0.02559 -0.01818 0.01073 0.03469 -0.19167 114 4PX -0.00785 -0.00209 -0.00049 0.00139 -0.00094 115 4PY -0.01083 0.00145 0.00084 0.00232 -0.00289 116 4PZ -0.00304 -0.01002 -0.00311 -0.00109 -0.00273 117 5PX 0.00510 0.00504 -0.00485 0.00023 -0.00147 118 5PY -0.00837 -0.00146 0.01110 -0.00202 -0.03007 119 5PZ -0.00480 -0.00216 0.01323 -0.00261 -0.03112 120 6PX -0.01327 -0.00143 0.02653 0.00088 -0.02922 121 6PY -0.00768 0.00588 -0.03791 0.02580 -0.00512 122 6PZ -0.00090 -0.00786 0.05791 -0.00053 -0.01283 123 7D 0 0.04401 -0.05608 0.00250 -0.00519 -0.00598 124 7D+1 0.02969 0.02316 0.00507 0.00555 0.00121 125 7D-1 0.00801 0.00954 -0.00530 -0.00237 -0.01156 126 7D+2 0.04455 -0.00560 0.00401 -0.00449 0.00838 127 7D-2 -0.00504 0.02549 -0.00737 0.00995 0.00166 128 8D 0 0.01480 -0.01879 0.00104 -0.00225 -0.00376 129 8D+1 0.01014 0.00799 0.00208 0.00270 0.00092 130 8D-1 0.00220 0.00293 -0.00216 -0.00098 -0.00843 131 8D+2 0.01496 -0.00189 0.00046 -0.00151 0.00457 132 8D-2 -0.00102 0.00875 -0.00279 0.00483 0.00055 133 7 Cu 1S -0.00046 0.00038 -0.00112 -0.00368 -0.00287 134 2S -0.02008 -0.02795 -0.00890 -0.01167 -0.01250 135 3S -0.03730 -0.01764 -0.03839 -0.17112 -0.11253 136 4PX 0.00048 0.00011 0.00393 -0.00365 0.00162 137 4PY -0.00567 0.00068 0.00132 0.00020 -0.00437 138 4PZ 0.00068 -0.00550 -0.00538 -0.00153 -0.00095 139 5PX -0.00682 0.00063 -0.01869 -0.01784 -0.02607 140 5PY -0.01638 0.00075 -0.00971 -0.01849 0.00330 141 5PZ -0.00803 -0.00956 0.01200 -0.03268 -0.02438 142 6PX -0.00686 -0.01100 0.03795 -0.04307 -0.04218 143 6PY 0.01125 -0.00564 0.02207 -0.04973 0.01052 144 6PZ -0.00621 0.01003 -0.06188 0.00679 -0.00786 145 7D 0 0.00671 -0.01255 0.00116 0.00051 -0.00091 146 7D+1 0.02145 -0.00855 -0.00161 -0.01137 -0.00943 147 7D-1 -0.01323 0.00535 0.00041 -0.00874 -0.00285 148 7D+2 -0.00201 0.00653 0.00146 0.00392 -0.00451 149 7D-2 -0.00136 0.01996 -0.00726 -0.00664 -0.00189 150 8D 0 0.00181 -0.00393 0.00235 -0.00096 -0.00140 151 8D+1 0.00632 -0.00276 -0.00180 -0.00641 -0.00640 152 8D-1 -0.00410 0.00143 -0.00074 -0.00432 -0.00150 153 8D+2 -0.00084 0.00202 0.00086 0.00155 -0.00349 154 8D-2 -0.00038 0.00602 -0.00232 -0.00411 -0.00062 155 8 Cu 1S -0.00096 0.00083 0.00161 -0.00002 0.00024 156 2S -0.00933 -0.01343 0.03248 -0.01662 -0.00697 157 3S -0.01978 0.00413 0.02459 0.07097 0.04816 158 4PX -0.00084 0.00017 0.00145 -0.00181 0.00117 159 4PY -0.01190 0.00171 0.00318 0.00193 -0.00233 160 4PZ -0.00443 0.00280 0.00103 -0.00030 0.00014 161 5PX -0.00713 -0.00088 -0.01105 0.01660 0.01228 162 5PY -0.00593 0.00055 -0.00847 0.00902 -0.00207 163 5PZ 0.00363 0.00065 0.00908 -0.00356 0.00073 164 6PX 0.00419 0.00584 0.00097 0.02388 0.01686 165 6PY -0.01076 0.00500 -0.02035 0.01900 0.00153 166 6PZ -0.00657 0.01381 -0.05430 0.04719 0.01308 167 7D 0 0.01366 -0.06224 -0.00552 0.00307 0.00229 168 7D+1 0.03286 -0.00826 0.00441 0.00564 0.00294 169 7D-1 -0.00187 -0.01579 0.00470 0.00172 0.00443 170 7D+2 0.05578 -0.02642 -0.00250 -0.00720 0.00291 171 7D-2 -0.01919 -0.01802 0.00880 -0.00424 -0.00528 172 8D 0 0.00457 -0.02071 -0.00153 0.00047 0.00042 173 8D+1 0.01136 -0.00265 0.00211 0.00307 0.00290 174 8D-1 -0.00023 -0.00523 0.00253 0.00110 0.00096 175 8D+2 0.01837 -0.00889 -0.00035 -0.00337 0.00143 176 8D-2 -0.00697 -0.00624 0.00491 -0.00198 -0.00351 177 9 C 1S 0.00405 0.00377 -0.00447 -0.00141 -0.00429 178 2S -0.01183 -0.00283 0.01099 -0.00126 0.00728 179 3S 0.00098 -0.00594 0.02359 0.03354 0.05572 180 4PX -0.00298 0.00477 -0.01564 0.00247 0.00242 181 4PY 0.02172 -0.01570 -0.00019 0.00119 0.01455 182 4PZ -0.01067 0.00449 -0.00920 -0.00201 -0.00009 183 5PX -0.00196 0.00063 0.01152 -0.00043 -0.02499 184 5PY -0.00029 0.00103 -0.01066 0.01405 0.00452 185 5PZ -0.00235 0.00195 0.01301 0.00327 -0.00802 186 10 O 1S -0.00778 0.00312 0.00148 0.00050 0.00062 187 2S 0.01486 -0.00518 -0.00207 -0.00075 -0.00194 188 3S 0.02661 -0.00971 -0.01691 -0.00570 -0.00322 189 4PX 0.02560 -0.01304 0.01510 -0.00245 -0.00224 190 4PY -0.01214 -0.00710 0.00372 -0.00162 -0.00525 191 4PZ 0.03494 -0.02706 0.00740 0.00302 0.00297 192 5PX 0.00863 -0.00475 0.00679 -0.00169 0.00541 193 5PY 0.00083 -0.00581 0.00148 -0.00502 -0.00083 194 5PZ 0.01041 -0.00974 0.00253 0.00090 0.00461 16 17 18 19 20 16 7D+2 1.49202 17 7D-2 0.00960 1.50343 18 8D 0 -0.00072 0.00093 0.16447 19 8D+1 -0.00073 0.00046 0.00071 0.16646 20 8D-1 0.00227 -0.00054 0.00067 0.00055 0.16610 21 8D+2 0.49496 0.00314 -0.00052 0.00014 0.00057 22 8D-2 0.00320 0.49815 0.00029 0.00070 0.00036 23 2 Cu 1S -0.00074 -0.00044 0.00210 -0.00071 0.00037 24 2S 0.00302 0.00582 0.02565 -0.00280 0.00230 25 3S 0.00537 0.00861 0.11265 0.01978 0.02932 26 4PX 0.00073 0.00275 -0.00174 0.00704 -0.00021 27 4PY -0.00255 0.00046 -0.00318 -0.00021 0.00534 28 4PZ 0.00207 0.00081 -0.00602 -0.00175 -0.00227 29 5PX 0.01016 -0.01536 0.00352 -0.02764 0.00534 30 5PY -0.01693 0.02223 0.01405 0.00363 -0.02470 31 5PZ 0.00213 -0.00524 0.05711 -0.00039 0.01081 32 6PX 0.06444 -0.03744 -0.02508 -0.01255 0.01379 33 6PY -0.09809 0.04827 -0.00567 0.01026 -0.03459 34 6PZ 0.00448 -0.00182 -0.02151 -0.00702 -0.00621 35 7D 0 0.00504 -0.00839 -0.01040 -0.00106 -0.00426 36 7D+1 0.01394 0.00849 -0.00304 0.00929 0.00022 37 7D-1 -0.02348 0.01223 -0.00689 0.00007 0.00808 38 7D+2 -0.00986 -0.00253 -0.00122 -0.00093 -0.00008 39 7D-2 0.00367 -0.01557 -0.00142 0.00115 -0.00019 40 8D 0 0.00120 -0.00218 -0.00208 0.00025 -0.00026 41 8D+1 0.00413 0.00045 -0.00089 0.00000 0.00039 42 8D-1 -0.00792 0.00515 -0.00158 0.00037 0.00001 43 8D+2 -0.00137 0.00024 -0.00051 -0.00059 0.00079 44 8D-2 0.00198 -0.00289 0.00018 -0.00035 -0.00045 45 3 Cu 1S -0.00003 0.00108 -0.00065 -0.00141 0.00068 46 2S -0.01419 0.01424 -0.00840 -0.01033 0.00470 47 3S 0.01839 0.06312 -0.02685 -0.05700 0.04137 48 4PX -0.00276 -0.00118 0.00072 -0.00058 0.00073 49 4PY -0.00122 0.00107 -0.00063 -0.00037 0.00008 50 4PZ -0.00001 0.00268 -0.00099 -0.00004 -0.00026 51 5PX 0.00875 0.00157 -0.00119 -0.00782 0.00472 52 5PY -0.00335 -0.00144 0.00082 0.00322 -0.00205 53 5PZ 0.01562 0.00412 -0.00293 -0.01143 0.00587 54 6PX 0.05071 -0.01432 -0.00980 0.00384 0.00586 55 6PY 0.05682 -0.00605 0.01169 -0.00539 0.00684 56 6PZ 0.01219 0.01215 0.01373 -0.00599 0.00572 57 7D 0 -0.00616 0.01175 -0.00189 -0.00513 -0.00053 58 7D+1 -0.00472 -0.00214 -0.00553 -0.00709 0.00278 59 7D-1 -0.00357 0.00521 0.00257 0.00257 0.00155 60 7D+2 -0.00452 0.00125 -0.00345 -0.00021 0.00371 61 7D-2 0.00485 0.00331 -0.00183 0.00276 -0.00017 62 8D 0 -0.00129 0.00493 -0.00120 -0.00234 0.00008 63 8D+1 -0.00287 0.00033 -0.00244 -0.00349 0.00142 64 8D-1 -0.00112 0.00225 0.00130 0.00125 0.00039 65 8D+2 -0.00074 0.00033 -0.00113 -0.00037 0.00174 66 8D-2 0.00170 0.00055 -0.00086 0.00142 -0.00010 67 4 Cu 1S 0.00367 -0.00131 -0.00134 0.00061 -0.00025 68 2S 0.05805 -0.02377 -0.01033 0.01192 0.00136 69 3S 0.25966 -0.00563 -0.03021 0.07402 0.00138 70 4PX -0.02303 -0.00220 0.00002 -0.00584 0.00089 71 4PY -0.00497 0.01484 0.00043 -0.00014 0.00184 72 4PZ -0.01841 0.00141 0.00442 0.00321 0.00011 73 5PX 0.11149 -0.03192 -0.01598 0.03684 -0.00355 74 5PY -0.02520 -0.06768 -0.00607 0.00512 -0.00534 75 5PZ 0.08737 -0.00457 -0.01665 -0.01333 0.00069 76 6PX -0.07060 -0.02545 -0.00463 -0.00196 -0.00401 77 6PY -0.10031 -0.04611 -0.01283 0.01382 -0.00929 78 6PZ 0.01306 0.04133 0.02240 -0.03894 0.00685 79 7D 0 -0.00954 -0.00206 0.00201 0.00440 0.00112 80 7D+1 -0.02649 -0.00258 0.01141 -0.00012 0.00079 81 7D-1 -0.00457 0.02753 -0.00069 -0.00140 -0.00021 82 7D+2 -0.02394 -0.00308 -0.00248 -0.00640 0.00084 83 7D-2 -0.00873 0.04905 -0.00374 0.00255 0.00578 84 8D 0 -0.00164 0.00030 0.00021 -0.00063 0.00058 85 8D+1 -0.00430 -0.00078 0.00213 -0.00131 0.00012 86 8D-1 -0.00132 0.00428 -0.00048 -0.00023 0.00055 87 8D+2 -0.00668 -0.00048 -0.00048 -0.00048 0.00056 88 8D-2 -0.00539 0.00935 -0.00141 0.00081 0.00069 89 5 Cu 1S -0.00109 -0.00023 -0.00055 -0.00040 -0.00039 90 2S -0.04982 0.02974 -0.00961 0.00381 0.00525 91 3S -0.21210 0.16850 -0.04794 0.01069 0.03850 92 4PX 0.01412 0.00340 0.00177 0.00049 -0.00246 93 4PY 0.02147 -0.02043 0.00323 -0.00076 -0.00286 94 4PZ 0.00715 -0.00906 0.00210 0.00187 0.00391 95 5PX -0.06086 -0.08082 -0.01703 0.00023 0.01499 96 5PY -0.14558 0.13790 -0.03175 0.00859 0.02726 97 5PZ -0.00953 0.03366 -0.00034 -0.01542 -0.02690 98 6PX 0.02595 -0.12977 -0.01718 0.00916 0.02321 99 6PY 0.05466 -0.00601 0.01337 -0.00859 -0.00622 100 6PZ 0.02862 0.07018 0.01996 -0.01362 -0.01821 101 7D 0 0.00096 -0.00263 -0.00095 0.00159 0.00419 102 7D+1 0.01822 0.00223 0.00270 -0.00112 0.00040 103 7D-1 0.02290 -0.01380 0.01115 0.00267 0.00491 104 7D+2 0.01755 0.03434 -0.00114 0.00427 0.00423 105 7D-2 0.04616 0.01004 -0.00055 0.00354 -0.00190 106 8D 0 0.00025 -0.00017 -0.00018 -0.00001 -0.00028 107 8D+1 0.00089 -0.00053 0.00001 -0.00014 -0.00098 108 8D-1 0.00537 0.00025 0.00221 0.00020 -0.00001 109 8D+2 0.00454 0.00475 -0.00028 0.00064 0.00114 110 8D-2 0.00803 -0.00046 -0.00045 0.00102 0.00062 111 6 Cu 1S 0.00163 0.00191 -0.00030 -0.00003 -0.00189 112 2S 0.02440 -0.00651 -0.00920 -0.00061 -0.01372 113 3S 0.03404 0.12355 0.00342 0.01197 -0.06468 114 4PX 0.00018 -0.00051 -0.00001 0.00016 -0.00064 115 4PY 0.00210 -0.00177 0.00081 0.00067 -0.00042 116 4PZ 0.00130 0.00187 -0.00147 -0.00039 -0.00077 117 5PX 0.00811 -0.00743 -0.00154 0.00045 0.00012 118 5PY -0.00781 0.01746 0.00380 -0.00029 -0.01050 119 5PZ 0.00549 0.02554 0.00448 -0.00103 -0.01040 120 6PX -0.05167 0.04621 0.00873 0.00014 -0.00995 121 6PY -0.04320 0.02279 -0.01271 0.00884 -0.00147 122 6PZ 0.01655 0.02734 0.01947 0.00053 -0.00383 123 7D 0 0.00531 0.00445 0.00058 -0.00247 -0.00388 124 7D+1 0.00269 0.00066 0.00217 0.00267 0.00093 125 7D-1 0.00850 -0.00254 -0.00269 -0.00106 -0.00839 126 7D+2 -0.00190 0.00384 0.00068 -0.00142 0.00400 127 7D-2 -0.00132 0.00504 -0.00281 0.00483 0.00049 128 8D 0 0.00295 0.00401 0.00027 -0.00101 -0.00186 129 8D+1 0.00201 0.00055 0.00087 0.00118 0.00055 130 8D-1 0.00476 -0.00179 -0.00106 -0.00049 -0.00432 131 8D+2 -0.00100 0.00041 -0.00005 -0.00048 0.00195 132 8D-2 -0.00098 0.00251 -0.00105 0.00216 0.00023 133 7 Cu 1S -0.00060 -0.00240 -0.00026 -0.00116 -0.00092 134 2S -0.01180 -0.00652 -0.00441 -0.00768 -0.00647 135 3S 0.00206 -0.10644 -0.01409 -0.06201 -0.04022 136 4PX -0.00393 -0.00160 0.00180 -0.00094 0.00115 137 4PY 0.00279 -0.00358 0.00080 0.00077 -0.00138 138 4PZ 0.00128 0.00133 -0.00189 -0.00012 -0.00007 139 5PX 0.01495 -0.01635 -0.00625 -0.00690 -0.00912 140 5PY -0.01107 0.00225 -0.00336 -0.00693 0.00055 141 5PZ -0.00059 -0.02992 0.00352 -0.01182 -0.00854 142 6PX -0.02943 0.03898 0.01249 -0.01440 -0.01406 143 6PY 0.08791 -0.04243 0.00750 -0.01643 0.00323 144 6PZ -0.03376 -0.03911 -0.02045 0.00198 -0.00252 145 7D 0 -0.00046 -0.00772 0.00085 -0.00038 -0.00144 146 7D+1 0.00038 -0.00566 -0.00133 -0.00508 -0.00571 147 7D-1 -0.00229 -0.00266 -0.00006 -0.00435 -0.00075 148 7D+2 0.00282 -0.00005 0.00056 0.00100 -0.00252 149 7D-2 0.00086 -0.00441 -0.00267 -0.00342 -0.00081 150 8D 0 -0.00080 -0.00497 0.00093 -0.00049 -0.00085 151 8D+1 0.00038 -0.00407 -0.00091 -0.00263 -0.00303 152 8D-1 -0.00068 -0.00158 -0.00035 -0.00198 -0.00046 153 8D+2 0.00239 -0.00112 0.00034 0.00043 -0.00153 154 8D-2 -0.00074 -0.00173 -0.00085 -0.00185 -0.00029 155 8 Cu 1S -0.00284 -0.00573 0.00042 0.00002 0.00007 156 2S -0.01958 -0.02957 0.01075 -0.00699 -0.00325 157 3S -0.09202 -0.19516 0.00892 0.02382 0.01595 158 4PX -0.00240 -0.00285 -0.00009 -0.00051 0.00050 159 4PY 0.00073 -0.00182 0.00094 0.00071 -0.00082 160 4PZ -0.00179 -0.00072 -0.00004 -0.00020 0.00000 161 5PX -0.00912 -0.04233 -0.00370 0.00545 0.00414 162 5PY -0.00928 -0.02352 -0.00265 0.00344 -0.00106 163 5PZ 0.00129 -0.00808 0.00310 -0.00102 0.00048 164 6PX 0.02832 -0.02227 0.00062 0.00863 0.00601 165 6PY -0.07119 0.01877 -0.00682 0.00640 0.00071 166 6PZ -0.00437 -0.04109 -0.01807 0.01577 0.00437 167 7D 0 0.00778 0.00633 -0.00099 0.00081 0.00153 168 7D+1 0.00065 -0.00391 0.00332 0.00226 0.00251 169 7D-1 -0.00738 0.00324 0.00260 0.00117 0.00132 170 7D+2 0.00425 -0.01049 -0.00009 -0.00386 0.00072 171 7D-2 -0.00144 -0.00923 0.00515 -0.00224 -0.00305 172 8D 0 0.00360 0.00483 -0.00024 0.00009 0.00041 173 8D+1 0.00016 -0.00261 0.00133 0.00116 0.00150 174 8D-1 -0.00361 0.00100 0.00119 0.00057 0.00027 175 8D+2 0.00088 -0.00618 0.00011 -0.00166 0.00038 176 8D-2 -0.00062 -0.00664 0.00236 -0.00102 -0.00165 177 9 C 1S -0.00794 -0.00051 -0.00135 -0.00033 -0.00133 178 2S 0.02122 -0.00253 0.00365 -0.00049 0.00290 179 3S 0.03775 0.03319 0.00785 0.01114 0.01785 180 4PX -0.01258 0.00560 -0.00547 0.00163 0.00144 181 4PY 0.00191 0.01053 -0.00009 0.00069 0.00385 182 4PZ -0.02353 0.00906 -0.00304 0.00022 0.00115 183 5PX 0.01358 0.00596 0.00379 0.00008 -0.00842 184 5PY -0.02468 0.00901 -0.00355 0.00502 0.00148 185 5PZ 0.01373 -0.03204 0.00432 0.00132 -0.00273 186 10 O 1S 0.00234 -0.00033 0.00054 0.00010 -0.00038 187 2S -0.00366 -0.00017 -0.00079 -0.00005 0.00056 188 3S -0.02517 0.00577 -0.00568 -0.00195 -0.00049 189 4PX 0.01320 -0.00053 0.00487 -0.00138 -0.00138 190 4PY 0.00712 -0.00777 0.00073 -0.00034 -0.00077 191 4PZ 0.02002 -0.00925 0.00182 0.00036 -0.00037 192 5PX 0.00588 -0.00083 0.00221 -0.00084 0.00173 193 5PY 0.00647 -0.00329 0.00028 -0.00186 -0.00017 194 5PZ 0.01099 0.00158 0.00054 0.00004 0.00127 21 22 23 24 25 21 8D+2 0.16429 22 8D-2 0.00110 0.16524 23 2 Cu 1S -0.00036 -0.00012 2.00808 24 2S 0.00096 0.00283 0.01172 0.30111 25 3S 0.00089 0.00373 0.03922 0.05455 0.67456 26 4PX 0.00007 0.00080 0.00472 0.02387 -0.09210 27 4PY -0.00098 0.00017 0.00260 0.01430 -0.07528 28 4PZ 0.00039 0.00058 -0.00262 -0.01439 0.07480 29 5PX 0.00392 -0.00545 -0.00618 -0.03762 -0.12909 30 5PY -0.00605 0.00744 -0.00419 -0.01881 -0.05472 31 5PZ 0.00095 -0.00105 0.00417 0.01900 0.05560 32 6PX 0.02154 -0.01258 -0.00728 0.03866 -0.05996 33 6PY -0.03269 0.01579 -0.00421 0.01867 -0.03308 34 6PZ 0.00139 -0.00094 0.00428 -0.01906 0.03291 35 7D 0 0.00150 -0.00117 0.00032 -0.00648 -0.05175 36 7D+1 0.00524 0.00111 0.00029 -0.01500 -0.15513 37 7D-1 -0.00775 0.00518 -0.00029 -0.00520 -0.03905 38 7D+2 -0.00204 -0.00015 -0.00061 0.01151 0.09495 39 7D-2 0.00209 -0.00304 -0.00026 0.01489 0.15570 40 8D 0 0.00033 -0.00020 0.00008 -0.00317 -0.01757 41 8D+1 0.00158 -0.00045 -0.00008 -0.00725 -0.05274 42 8D-1 -0.00263 0.00208 -0.00065 -0.00208 -0.01573 43 8D+2 -0.00004 0.00034 -0.00020 0.00569 0.03205 44 8D-2 0.00097 -0.00022 0.00008 0.00719 0.05289 45 3 Cu 1S 0.00005 0.00030 -0.00213 -0.00616 -0.00415 46 2S -0.00569 0.00423 -0.00477 0.13147 -0.01256 47 3S 0.00598 0.02109 -0.01060 0.06280 -0.19320 48 4PX -0.00102 -0.00033 -0.00039 -0.01449 -0.06844 49 4PY -0.00028 0.00032 0.00066 0.01094 0.01646 50 4PZ 0.00034 0.00052 -0.00062 -0.01008 -0.01372 51 5PX 0.00292 0.00021 -0.00276 0.02921 -0.03474 52 5PY -0.00111 -0.00048 0.00174 -0.01197 0.02910 53 5PZ 0.00553 0.00171 -0.00160 0.01063 -0.02717 54 6PX 0.01707 -0.00448 -0.00048 0.00010 -0.02759 55 6PY 0.01883 -0.00202 0.00250 -0.00677 0.04593 56 6PZ 0.00410 0.00414 -0.00239 0.00652 -0.04264 57 7D 0 -0.00158 0.00519 -0.00285 -0.03349 -0.09255 58 7D+1 -0.00392 0.00030 0.00112 0.02684 0.18821 59 7D-1 -0.00150 0.00241 0.00094 -0.01366 -0.08924 60 7D+2 -0.00116 0.00009 0.00492 0.05521 0.14217 61 7D-2 0.00113 0.00099 -0.00142 -0.03156 -0.20751 62 8D 0 -0.00029 0.00207 -0.00113 -0.01086 -0.03067 63 8D+1 -0.00178 0.00040 0.00059 0.00984 0.06407 64 8D-1 -0.00048 0.00098 0.00023 -0.00541 -0.03155 65 8D+2 -0.00013 0.00000 0.00194 0.01776 0.04684 66 8D-2 0.00041 0.00013 -0.00072 -0.01145 -0.07060 67 4 Cu 1S 0.00170 -0.00030 -0.00389 -0.01003 0.00200 68 2S 0.01966 -0.00647 -0.01003 0.07387 -0.09241 69 3S 0.08671 -0.00107 0.00205 -0.09229 0.02001 70 4PX -0.00368 -0.00025 -0.00332 -0.03227 -0.00691 71 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5PY 0.00980 0.01540 0.03227 -0.00352 0.01980 97 5PZ 0.01255 -0.01414 -0.00333 0.03171 -0.05358 98 6PX -0.00047 0.01560 -0.02053 0.01753 -0.01397 99 6PY -0.00586 0.00379 -0.02327 -0.02478 0.02783 100 6PZ -0.00099 -0.00557 -0.02380 -0.02559 0.01619 101 7D 0 0.01899 -0.02560 0.02868 -0.00356 0.02886 102 7D+1 -0.02206 0.04256 -0.01479 0.02098 -0.00272 103 7D-1 -0.06509 0.00104 -0.01767 0.01525 0.00065 104 7D+2 -0.01660 0.04245 -0.02168 0.03410 0.02205 105 7D-2 0.02202 -0.04657 0.02398 -0.01662 -0.01798 106 8D 0 0.00765 -0.00889 0.01041 -0.00089 0.00529 107 8D+1 -0.00693 0.01432 -0.00370 0.00662 -0.00039 108 8D-1 -0.02181 0.00030 -0.00602 0.00518 -0.00012 109 8D+2 -0.00479 0.01480 -0.00746 0.01226 0.00470 110 8D-2 0.00749 -0.01570 0.00755 -0.00435 -0.00350 111 6 Cu 1S -0.00073 -0.00169 0.00240 0.00134 0.00169 112 2S -0.02722 0.02450 0.01572 -0.01569 -0.01006 113 3S -0.00121 -0.00198 0.05017 0.00112 -0.05418 114 4PX -0.00545 0.00166 0.01423 -0.00818 0.00229 115 4PY -0.00161 0.00603 0.02334 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0.01594 0.02773 0.04180 -0.16847 136 4PX 0.00266 0.00614 -0.01502 -0.00076 0.01374 137 4PY 0.00311 -0.01474 0.02069 -0.00470 0.00912 138 4PZ -0.00677 0.00449 -0.00075 -0.00116 0.00983 139 5PX -0.00345 0.02621 0.00056 0.01019 -0.05858 140 5PY -0.00722 0.00222 0.02399 0.00458 -0.03916 141 5PZ 0.01365 -0.00373 0.00439 0.00241 -0.05874 142 6PX 0.00356 -0.01278 0.00562 -0.02330 0.00304 143 6PY 0.00949 0.01911 -0.02713 0.00071 -0.01873 144 6PZ 0.00155 -0.00082 0.01355 0.03539 -0.04024 145 7D 0 -0.02570 0.03220 -0.00157 -0.05495 -0.02006 146 7D+1 0.02077 0.01768 -0.01862 -0.00317 0.02033 147 7D-1 0.01474 -0.01670 0.03738 -0.03075 0.01789 148 7D+2 -0.01629 0.00596 -0.01043 0.02205 0.00529 149 7D-2 -0.01634 -0.00528 0.00087 0.02340 0.00961 150 8D 0 -0.00887 0.01103 -0.00040 -0.01850 -0.00665 151 8D+1 0.00669 0.00614 -0.00491 0.00029 0.00152 152 8D-1 0.00438 -0.00457 0.01233 -0.00993 0.00299 153 8D+2 -0.00560 0.00111 -0.00289 0.00685 0.00165 154 8D-2 -0.00579 -0.00191 -0.00029 0.00723 0.00293 155 8 Cu 1S 0.00006 -0.00018 -0.00084 0.00078 0.00146 156 2S 0.00689 -0.02561 -0.00206 0.00203 0.00902 157 3S 0.01516 -0.01104 -0.00386 0.00309 0.02558 158 4PX -0.00007 0.00302 -0.00761 0.00741 0.00124 159 4PY -0.00068 -0.00662 0.01059 0.00349 0.00196 160 4PZ -0.00449 0.00652 0.00348 0.01035 0.00166 161 5PX 0.00256 0.00570 0.00055 -0.00078 -0.00191 162 5PY 0.00327 0.00275 0.00057 -0.00013 -0.00791 163 5PZ 0.01711 -0.00271 0.00004 0.00072 -0.01608 164 6PX 0.00471 0.00301 -0.00698 0.00699 0.00157 165 6PY -0.00168 -0.00628 0.01646 0.00761 0.00301 166 6PZ -0.00897 0.00666 0.00747 0.01656 -0.00697 167 7D 0 0.02793 -0.04095 -0.03424 -0.07667 -0.00286 168 7D+1 0.00795 -0.00286 -0.05142 0.01215 -0.00638 169 7D-1 0.00647 -0.05601 0.02269 -0.01400 -0.00479 170 7D+2 -0.01831 0.06259 -0.06603 -0.00366 -0.00236 171 7D-2 -0.02498 -0.00339 0.01986 -0.05174 -0.00062 172 8D 0 0.00917 -0.01378 -0.01129 -0.02532 -0.00043 173 8D+1 0.00306 -0.00103 -0.01712 0.00397 -0.00254 174 8D-1 0.00263 -0.01852 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-0.01998 -0.01125 -0.00995 0.00134 77 6PY 0.02567 -0.01089 -0.02621 0.05734 -0.01027 78 6PZ -0.01276 -0.03450 -0.03014 -0.00898 0.00081 79 7D 0 -0.01707 0.00219 -0.02487 0.00619 0.00523 80 7D+1 -0.03226 0.00197 0.02343 -0.01298 -0.00495 81 7D-1 0.00697 0.00074 -0.02340 -0.03564 0.00187 82 7D+2 0.02044 -0.01868 -0.00815 0.01002 -0.00566 83 7D-2 -0.02010 -0.03869 0.01712 0.02692 0.00233 84 8D 0 -0.00376 -0.00141 -0.00580 0.00083 0.00030 85 8D+1 -0.00848 0.00056 0.00622 -0.00140 -0.00090 86 8D-1 0.00062 -0.00280 -0.00486 -0.00874 0.00095 87 8D+2 0.00438 -0.00459 -0.00436 0.00203 -0.00094 88 8D-2 -0.00368 -0.01021 0.00062 0.00476 0.00025 89 5 Cu 1S 0.00161 -0.00071 0.00116 -0.00174 -0.00032 90 2S 0.00133 -0.06320 -0.00781 -0.00281 -0.00025 91 3S -0.04882 -0.24456 -0.11537 0.05085 0.01820 92 4PX -0.00215 0.01042 0.00257 0.00230 -0.00014 93 4PY 0.00225 0.01791 0.00316 -0.00431 -0.00249 94 4PZ -0.00444 -0.01712 -0.00754 0.00212 -0.00190 95 5PX 0.00922 -0.03666 0.01627 -0.01054 -0.00418 96 5PY 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188 3S -0.00076 -0.00246 -0.00226 -0.00114 -0.00050 189 4PX 0.00360 -0.00049 0.00172 0.00136 -0.00019 190 4PY 0.00487 -0.00176 -0.00332 0.00022 0.00093 191 4PZ 0.00238 0.00175 -0.00023 0.00031 -0.00084 192 5PX 0.00206 0.00079 0.00140 -0.00012 -0.00036 193 5PY 0.00140 0.00130 -0.00173 0.00184 -0.00049 194 5PZ 0.00090 0.00058 0.00044 0.00074 0.00046 156 157 158 159 160 156 2S 0.38651 157 3S 0.23288 0.40035 158 4PX -0.03510 0.07163 1.99168 159 4PY -0.01874 0.03156 0.00063 1.99169 160 4PZ 0.01885 -0.03220 -0.00060 -0.00019 1.99171 161 5PX 0.04370 0.09197 0.04802 0.00355 -0.00373 162 5PY 0.02765 0.05558 0.00469 0.03824 -0.00162 163 5PZ -0.02773 -0.05559 -0.00480 -0.00157 0.03831 164 6PX 0.00398 0.03150 -0.00052 0.00467 -0.00482 165 6PY -0.01705 0.00491 0.00707 -0.00927 -0.00220 166 6PZ 0.01621 -0.00561 -0.00719 -0.00223 -0.00925 167 7D 0 0.00617 0.04709 0.00090 0.00113 0.00317 168 7D+1 0.01977 0.12107 -0.00109 0.00071 0.00071 169 7D-1 0.00606 0.06677 0.00088 -0.00140 0.00109 170 7D+2 -0.01118 -0.08249 -0.00127 0.00286 -0.00021 171 7D-2 -0.02009 -0.11988 0.00124 0.00045 0.00072 172 8D 0 0.00103 0.01502 -0.00038 0.00022 0.00104 173 8D+1 0.00160 0.03769 -0.00115 0.00064 0.00121 174 8D-1 -0.00116 0.02030 0.00033 -0.00118 0.00102 175 8D+2 -0.00194 -0.02633 0.00079 0.00099 -0.00019 176 8D-2 -0.00165 -0.03727 0.00120 0.00105 0.00065 177 9 C 1S 0.00972 -0.02173 -0.00039 -0.00108 0.00104 178 2S -0.02739 0.03368 -0.00045 0.00171 -0.00164 179 3S -0.02851 0.01459 0.01581 0.00592 -0.00603 180 4PX -0.05147 -0.00068 0.00089 -0.00014 -0.00002 181 4PY -0.03610 -0.02477 0.00053 0.00077 -0.00412 182 4PZ 0.03456 0.02245 -0.00057 -0.00408 0.00030 183 5PX -0.02280 -0.00962 0.00724 -0.00426 0.00382 184 5PY -0.01256 -0.00290 -0.00061 0.00077 -0.00146 185 5PZ 0.01236 0.00291 0.00050 -0.00145 0.00049 186 10 O 1S -0.00296 0.01274 -0.00007 0.00021 -0.00019 187 2S 0.00940 -0.02486 0.00113 -0.00062 0.00056 188 3S 0.00214 -0.04828 -0.00507 -0.00006 0.00018 189 4PX 0.05181 0.00323 0.00081 -0.00117 0.00121 190 4PY 0.02656 0.05762 0.00070 -0.00040 0.00328 191 4PZ -0.02562 -0.05390 -0.00064 0.00332 -0.00001 192 5PX 0.03589 0.01001 -0.00235 0.00178 -0.00152 193 5PY 0.01260 0.01464 -0.00168 0.00024 0.00187 194 5PZ -0.01258 -0.01404 0.00154 0.00181 0.00042 161 162 163 164 165 161 5PX 0.03935 162 5PY 0.01003 0.02960 163 5PZ -0.00999 -0.00671 0.02959 164 6PX 0.00310 0.00276 -0.00274 0.02660 165 6PY 0.00305 0.00195 -0.00218 -0.00594 0.02741 166 6PZ -0.00300 -0.00216 0.00191 0.00554 -0.00056 167 7D 0 0.04547 0.02435 0.05287 0.02040 -0.01182 168 7D+1 0.02705 0.00416 -0.06768 0.06129 -0.01797 169 7D-1 -0.00055 0.03843 -0.03898 -0.00704 0.05974 170 7D+2 -0.07775 0.04682 -0.00152 -0.04016 -0.00988 171 7D-2 -0.02582 -0.06878 0.00396 -0.06367 -0.05199 172 8D 0 0.01467 0.00793 0.01756 0.00702 -0.00377 173 8D+1 0.00812 0.00115 -0.02166 0.02116 -0.00583 174 8D-1 -0.00057 0.01211 -0.01232 -0.00210 0.02047 175 8D+2 -0.02507 0.01562 -0.00065 -0.01378 -0.00351 176 8D-2 -0.00770 -0.02204 0.00108 -0.02197 -0.01775 177 9 C 1S -0.00817 0.00210 -0.00189 -0.00581 -0.00183 178 2S 0.01377 -0.00360 0.00331 0.01299 -0.00108 179 3S 0.01715 -0.00959 0.00882 0.00200 0.00459 180 4PX 0.00014 0.00330 -0.00286 0.00933 -0.01305 181 4PY 0.00334 -0.00475 0.01389 -0.00927 0.00809 182 4PZ -0.00287 0.01361 -0.00302 0.00819 -0.01304 183 5PX 0.00063 0.00094 -0.00073 -0.00074 0.00165 184 5PY 0.00007 0.00302 0.00311 -0.00136 0.00178 185 5PZ 0.00009 0.00316 0.00337 0.00136 -0.00062 186 10 O 1S 0.00277 0.00025 -0.00034 0.00603 -0.00474 187 2S -0.00553 -0.00003 0.00022 -0.01190 0.00843 188 3S -0.01144 -0.00224 0.00255 -0.02121 0.01527 189 4PX -0.01573 -0.00541 0.00510 -0.00311 -0.01520 190 4PY 0.00229 0.00358 -0.01205 0.02284 -0.02805 191 4PZ -0.00172 -0.01177 0.00222 -0.02111 0.01550 192 5PX -0.00700 -0.00171 0.00151 0.00122 -0.00878 193 5PY -0.00092 -0.00174 -0.00468 0.00570 -0.00869 194 5PZ 0.00094 -0.00474 -0.00231 -0.00535 0.00380 166 167 168 169 170 166 6PZ 0.02687 167 7D 0 -0.01712 1.48692 168 7D+1 -0.05664 0.00734 1.50397 169 7D-1 -0.05375 0.00175 -0.00598 1.50936 170 7D+2 -0.00857 0.00293 0.00199 -0.00142 1.48444 171 7D-2 -0.01718 0.00533 0.00235 0.00574 0.00652 172 8D 0 -0.00584 0.49394 0.00158 0.00059 0.00108 173 8D+1 -0.01933 0.00160 0.49980 -0.00072 -0.00048 174 8D-1 -0.01845 0.00041 -0.00029 0.50026 -0.00030 175 8D+2 -0.00262 0.00108 -0.00090 -0.00057 0.49289 176 8D-2 -0.00556 0.00036 -0.00059 0.00070 0.00201 177 9 C 1S 0.00213 -0.00251 0.00605 -0.00160 0.00386 178 2S 0.00026 0.00865 -0.01210 0.00695 -0.01371 179 3S -0.00490 -0.00343 -0.05743 -0.00016 0.01010 180 4PX 0.01172 0.01068 0.00435 -0.00466 -0.01860 181 4PY -0.01311 0.01354 -0.01054 0.00301 -0.01080 182 4PZ 0.00600 -0.00256 0.00790 -0.00283 0.01631 183 5PX -0.00164 0.00584 -0.00480 0.01729 -0.00847 184 5PY -0.00054 -0.02400 -0.01409 0.00379 0.02514 185 5PZ 0.00182 0.00840 -0.01254 -0.00272 -0.03225 186 10 O 1S 0.00412 0.00099 -0.00145 0.00006 -0.00164 187 2S -0.00725 -0.00110 0.00284 -0.00068 0.00183 188 3S -0.01326 -0.01217 0.01357 0.00157 0.02016 189 4PX 0.01439 -0.01110 0.00357 -0.00079 0.01824 190 4PY 0.01501 -0.01241 0.00596 -0.00116 0.00693 191 4PZ -0.02521 -0.00035 -0.00853 0.00157 -0.01398 192 5PX 0.00826 -0.00540 0.00409 -0.00689 0.00818 193 5PY 0.00363 -0.00368 0.00751 -0.00158 0.00066 194 5PZ -0.00819 -0.00090 -0.00325 0.00172 -0.00312 171 172 173 174 175 171 7D-2 1.50347 172 8D 0 -0.00005 0.16415 173 8D+1 -0.00062 0.00029 0.16634 174 8D-1 0.00026 0.00016 0.00038 0.16602 175 8D+2 0.00218 0.00037 -0.00074 -0.00015 0.16376 176 8D-2 0.49965 -0.00052 -0.00075 -0.00037 0.00075 177 9 C 1S -0.00661 -0.00078 0.00184 -0.00059 0.00120 178 2S 0.01348 0.00280 -0.00435 0.00263 -0.00437 179 3S 0.06158 -0.00100 -0.01863 -0.00040 0.00307 180 4PX -0.00388 0.00387 0.00121 -0.00057 -0.00663 181 4PY 0.01021 0.00522 -0.00268 0.00105 -0.00455 182 4PZ -0.01079 -0.00124 0.00175 -0.00104 0.00653 183 5PX 0.00527 0.00211 -0.00159 0.00624 -0.00307 184 5PY -0.01219 -0.00794 -0.00478 0.00140 0.00832 185 5PZ -0.01273 0.00276 -0.00417 -0.00105 -0.01067 186 10 O 1S 0.00161 0.00051 -0.00010 -0.00021 -0.00093 187 2S -0.00303 -0.00078 0.00015 0.00020 0.00144 188 3S -0.01571 -0.00420 0.00416 0.00089 0.00703 189 4PX -0.00482 -0.00310 0.00092 -0.00048 0.00501 190 4PY -0.00983 -0.00459 0.00097 -0.00026 0.00279 191 4PZ 0.00627 -0.00008 -0.00157 0.00043 -0.00521 192 5PX -0.00473 -0.00166 0.00112 -0.00257 0.00248 193 5PY -0.00463 -0.00132 0.00233 -0.00057 0.00020 194 5PZ 0.00770 -0.00040 -0.00075 0.00064 -0.00109 176 177 178 179 180 176 8D-2 0.16629 177 9 C 1S -0.00203 2.09473 178 2S 0.00486 -0.19934 0.51453 179 3S 0.02001 -0.20377 0.39546 0.43922 180 4PX -0.00100 0.01851 -0.02766 -0.10593 0.39213 181 4PY 0.00246 -0.03737 0.05596 0.21374 -0.08221 182 4PZ -0.00287 0.03402 -0.05069 -0.19484 0.07495 183 5PX 0.00177 0.01668 -0.03108 -0.02527 0.05488 184 5PY -0.00403 -0.03363 0.06288 0.05110 0.01562 185 5PZ -0.00433 0.03068 -0.05703 -0.04633 -0.01450 186 10 O 1S 0.00013 0.01210 -0.01194 0.04416 -0.02509 187 2S -0.00017 -0.01939 0.01138 -0.10201 0.06207 188 3S -0.00484 0.01808 -0.09356 -0.10868 -0.00882 189 4PX -0.00129 0.03761 -0.09670 -0.00014 0.34465 190 4PY -0.00191 -0.07593 0.19527 -0.00039 0.25310 191 4PZ 0.00114 0.06924 -0.17794 -0.00107 -0.23060 192 5PX -0.00132 0.00560 -0.01430 -0.00007 0.14015 193 5PY -0.00120 -0.01135 0.02891 -0.00012 0.06115 194 5PZ 0.00241 0.01032 -0.02634 -0.00051 -0.05570 181 182 183 184 185 181 4PY 0.51722 182 4PZ -0.15122 0.48928 183 5PX 0.01568 -0.01446 0.01764 184 5PY 0.03097 0.02892 -0.00215 0.02085 185 5PZ 0.02912 0.03618 0.00185 -0.00383 0.02010 186 10 O 1S 0.05064 -0.04618 0.00212 -0.00433 0.00390 187 2S -0.12527 0.11419 -0.00048 0.00103 -0.00090 188 3S 0.01779 -0.01620 0.00696 -0.01394 0.01283 189 4PX 0.25309 -0.23062 0.06206 -0.00183 0.00165 190 4PY -0.04074 0.46558 -0.00179 0.06455 -0.00326 191 4PZ 0.46551 0.04567 0.00168 -0.00341 0.06445 192 5PX 0.06118 -0.05570 0.01737 0.00204 -0.00185 193 5PY 0.04709 0.11244 0.00206 0.01418 0.00379 194 5PZ 0.11248 0.06789 -0.00182 0.00368 0.01506 186 187 188 189 190 186 10 O 1S 2.11860 187 2S -0.25907 0.60433 188 3S -0.24866 0.52377 0.54193 189 4PX -0.01337 0.02323 0.11024 0.84179 190 4PY 0.02699 -0.04693 -0.22244 -0.00387 0.84755 191 4PZ -0.02460 0.04272 0.20293 0.00345 -0.00701 192 5PX -0.01179 0.02831 0.03966 0.31087 0.04100 193 5PY 0.02380 -0.05715 -0.08000 0.04107 0.24836 194 5PZ -0.02171 0.05210 0.07305 -0.03743 0.07545 191 192 193 194 191 4PZ 0.84632 192 5PX -0.03748 0.12230 193 5PY 0.07567 0.02251 0.08804 194 5PZ 0.26231 -0.02056 0.04146 0.09563 Full Mulliken population analysis: 1 2 3 4 5 1 1 Cu 1S 2.01143 2 2S -0.00434 0.38666 3 3S 0.00207 0.17043 0.40060 4 4PX 0.00000 0.00000 0.00000 1.99191 5 4PY 0.00000 0.00000 0.00000 0.00000 1.99109 6 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 7 5PX 0.00000 0.00000 0.00000 0.00549 0.00000 8 5PY 0.00000 0.00000 0.00000 0.00000 0.00570 9 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 6PX 0.00000 0.00000 0.00000 -0.00020 0.00000 11 6PY 0.00000 0.00000 0.00000 0.00000 -0.00024 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 -0.00026 -0.00087 0.00000 0.00000 24 2S -0.00030 0.03819 0.03213 -0.00002 -0.00004 25 3S -0.00048 -0.03854 -0.11723 0.00002 -0.00008 26 4PX 0.00000 -0.00003 0.00001 0.00000 0.00000 27 4PY 0.00000 -0.00003 0.00001 0.00000 0.00000 28 4PZ 0.00000 -0.00150 -0.00070 0.00000 0.00000 29 5PX 0.00002 0.00166 0.00126 -0.00003 -0.00001 30 5PY 0.00002 0.00188 0.00010 -0.00001 -0.00022 31 5PZ -0.00040 0.03724 -0.00295 -0.00007 -0.00015 32 6PX -0.00002 0.00125 -0.00021 0.00003 0.00000 33 6PY -0.00003 0.00129 0.00004 0.00000 -0.00013 34 6PZ -0.00028 -0.00719 -0.03044 0.00003 0.00000 35 7D 0 0.00000 0.00026 0.00054 0.00000 0.00000 36 7D+1 0.00000 0.00012 0.00009 0.00000 0.00000 37 7D-1 0.00000 0.00014 0.00012 0.00000 0.00000 38 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 39 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 40 8D 0 0.00001 0.00077 0.00264 -0.00001 -0.00003 41 8D+1 0.00001 0.00046 0.00045 -0.00004 0.00000 42 8D-1 0.00001 0.00058 0.00059 0.00000 -0.00003 43 8D+2 0.00000 0.00000 0.00001 0.00000 0.00000 44 8D-2 0.00000 0.00003 0.00001 0.00000 0.00000 45 3 Cu 1S 0.00000 0.00000 -0.00004 0.00000 0.00000 46 2S 0.00000 -0.00249 -0.00306 0.00000 0.00000 47 3S -0.00002 0.00245 0.01151 0.00003 0.00001 48 4PX 0.00000 0.00000 0.00005 0.00000 0.00000 49 4PY 0.00000 0.00000 -0.00001 0.00000 0.00000 50 4PZ 0.00000 0.00000 0.00008 0.00000 0.00000 51 5PX 0.00000 0.00141 0.00120 0.00000 0.00000 52 5PY 0.00000 -0.00019 0.00037 0.00000 0.00000 53 5PZ 0.00000 0.00260 0.00294 0.00001 0.00001 54 6PX 0.00002 0.00266 0.00700 -0.00001 0.00001 55 6PY -0.00001 0.00101 0.00107 0.00000 0.00002 56 6PZ 0.00004 0.00668 0.01551 -0.00004 0.00002 57 7D 0 0.00000 -0.00001 -0.00006 0.00000 0.00000 58 7D+1 0.00000 -0.00001 -0.00034 0.00000 0.00000 59 7D-1 0.00000 0.00000 0.00001 0.00000 0.00000 60 7D+2 0.00000 0.00000 0.00001 0.00000 0.00000 61 7D-2 0.00000 0.00000 0.00002 0.00000 0.00000 62 8D 0 0.00000 -0.00008 -0.00037 0.00000 0.00000 63 8D+1 0.00000 -0.00013 -0.00192 0.00000 0.00000 64 8D-1 0.00000 -0.00002 0.00005 0.00000 0.00000 65 8D+2 0.00000 -0.00003 0.00005 0.00000 0.00000 66 8D-2 0.00000 -0.00001 0.00008 0.00000 0.00000 67 4 Cu 1S 0.00000 -0.00026 -0.00087 0.00000 0.00000 68 2S -0.00030 0.03817 0.03224 -0.00054 -0.00001 69 3S -0.00048 -0.03856 -0.11720 -0.00141 0.00000 70 4PX 0.00000 -0.00128 -0.00060 0.00000 0.00000 71 4PY 0.00000 0.00000 0.00001 0.00000 0.00000 72 4PZ 0.00000 -0.00028 -0.00008 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0.01691 33 6PY 0.01018 34 6PZ 0.01019 35 7D 0 1.65263 36 7D+1 1.64282 37 7D-1 1.63145 38 7D+2 1.65295 39 7D-2 1.64415 40 8D 0 0.31618 41 8D+1 0.31896 42 8D-1 0.31938 43 8D+2 0.31564 44 8D-2 0.31866 45 3 Cu 1S 2.00554 46 2S 0.75603 47 3S 0.33801 48 4PX 1.99477 49 4PY 1.99458 50 4PZ 1.99460 51 5PX 0.04890 52 5PY 0.05604 53 5PZ 0.05491 54 6PX 0.00221 55 6PY 0.02765 56 6PZ 0.02395 57 7D 0 1.63433 58 7D+1 1.65536 59 7D-1 1.65209 60 7D+2 1.63892 61 7D-2 1.65364 62 8D 0 0.32453 63 8D+1 0.32234 64 8D-1 0.32358 65 8D+2 0.32404 66 8D-2 0.32258 67 4 Cu 1S 2.00381 68 2S 0.61627 69 3S -0.16092 70 4PX 1.99481 71 4PY 1.99465 72 4PZ 1.99496 73 5PX 0.17254 74 5PY 0.14870 75 5PZ 0.20510 76 6PX 0.01315 77 6PY 0.00201 78 6PZ 0.02184 79 7D 0 1.65582 80 7D+1 1.63685 81 7D-1 1.64000 82 7D+2 1.65225 83 7D-2 1.63902 84 8D 0 0.31524 85 8D+1 0.32015 86 8D-1 0.31942 87 8D+2 0.31585 88 8D-2 0.31812 89 5 Cu 1S 1.99711 90 2S 0.59978 91 3S -0.31609 92 4PX 1.99534 93 4PY 1.99558 94 4PZ 1.99553 95 5PX 0.29678 96 5PY 0.32662 97 5PZ 0.32024 98 6PX -0.04386 99 6PY 0.00703 100 6PZ -0.00224 101 7D 0 1.61602 102 7D+1 1.64105 103 7D-1 1.64347 104 7D+2 1.63214 105 7D-2 1.63726 106 8D 0 0.31019 107 8D+1 0.30541 108 8D-1 0.30025 109 8D+2 0.30691 110 8D-2 0.30582 111 6 Cu 1S 2.00549 112 2S 0.71713 113 3S 0.40434 114 4PX 1.99463 115 4PY 1.99452 116 4PZ 1.99437 117 5PX 0.06203 118 5PY 0.06458 119 5PZ 0.05934 120 6PX 0.00928 121 6PY 0.01362 122 6PZ 0.00078 123 7D 0 1.63956 124 7D+1 1.65521 125 7D-1 1.65823 126 7D+2 1.63878 127 7D-2 1.65143 128 8D 0 0.32430 129 8D+1 0.32294 130 8D-1 0.32307 131 8D+2 0.32568 132 8D-2 0.32471 133 7 Cu 1S 2.00381 134 2S 0.61583 135 3S -0.16089 136 4PX 1.99477 137 4PY 1.99501 138 4PZ 1.99463 139 5PX 0.16754 140 5PY 0.21086 141 5PZ 0.14715 142 6PX 0.01247 143 6PY 0.02228 144 6PZ 0.00216 145 7D 0 1.65539 146 7D+1 1.63900 147 7D-1 1.63879 148 7D+2 1.65348 149 7D-2 1.63752 150 8D 0 0.31475 151 8D+1 0.31825 152 8D-1 0.31953 153 8D+2 0.31642 154 8D-2 0.31991 155 8 Cu 1S 2.00549 156 2S 0.71726 157 3S 0.40405 158 4PX 1.99418 159 4PY 1.99467 160 4PZ 1.99467 161 5PX 0.06811 162 5PY 0.05864 163 5PZ 0.05894 164 6PX 0.02725 165 6PY -0.00222 166 6PZ -0.00128 167 7D 0 1.63804 168 7D+1 1.65500 169 7D-1 1.66006 170 7D+2 1.63554 171 7D-2 1.65453 172 8D 0 0.32521 173 8D+1 0.32387 174 8D-1 0.32267 175 8D+2 0.32496 176 8D-2 0.32392 177 9 C 1S 1.99857 178 2S 0.89023 179 3S 0.67648 180 4PX 0.59997 181 4PY 0.75204 182 4PZ 0.71828 183 5PX 0.08881 184 5PY 0.06921 185 5PZ 0.07373 186 10 O 1S 1.99922 187 2S 0.99041 188 3S 0.83844 189 4PX 1.10550 190 4PY 1.13764 191 4PZ 1.13052 192 5PX 0.34901 193 5PY 0.26785 194 5PZ 0.28587 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.126169 -0.108071 0.080977 -0.108218 -0.028698 0.088907 2 Cu -0.108071 19.344899 -0.092510 -0.016462 -0.230838 -0.107534 3 Cu 0.080977 -0.092510 19.071626 -0.092728 0.115554 0.081431 4 Cu -0.108218 -0.016462 -0.092728 19.345900 -0.232255 0.037414 5 Cu -0.028698 -0.230838 0.115554 -0.232255 19.345241 -0.028903 6 Cu 0.088907 -0.107534 0.081431 0.037414 -0.028903 19.126892 7 Cu 0.039096 -0.018099 -0.093277 -0.017323 -0.228204 -0.108002 8 Cu 0.088619 0.038360 0.081246 -0.107432 -0.028674 0.089017 9 C 0.012782 0.011568 -0.003764 0.011845 0.144950 0.013554 10 O -0.008269 -0.001253 0.000039 -0.001096 0.042155 -0.008733 7 8 9 10 1 Cu 0.039096 0.088619 0.012782 -0.008269 2 Cu -0.018099 0.038360 0.011568 -0.001253 3 Cu -0.093277 0.081246 -0.003764 0.000039 4 Cu -0.017323 -0.107432 0.011845 -0.001096 5 Cu -0.228204 -0.028674 0.144950 0.042155 6 Cu -0.108002 0.089017 0.013554 -0.008733 7 Cu 19.342628 -0.108085 0.011266 -0.001332 8 Cu -0.108085 19.125901 0.013122 -0.008493 9 C 0.011266 0.013122 5.094167 0.557836 10 O -0.001332 -0.008493 0.557836 7.533602 Mulliken atomic charges: 1 1 Cu -0.183294 2 Cu 0.179939 3 Cu -0.148596 4 Cu 0.180355 5 Cu 0.129674 6 Cu -0.184043 7 Cu 0.181331 8 Cu -0.183583 9 C 0.132674 10 O -0.104457 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.183294 2 Cu 0.179939 3 Cu -0.148596 4 Cu 0.180355 5 Cu 0.129674 6 Cu -0.184043 7 Cu 0.181331 8 Cu -0.183583 9 C 0.132674 10 O -0.104457 Sum of Mulliken charges= 0.00000 Electronic spatial extent (au): = 3730.1197 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.1794 Y= -0.3498 Z= 0.3415 Tot= 0.5207 Quadrupole moment (field-independent basis, Debye-Ang): XX= -112.7607 YY= -115.1117 ZZ= -115.0347 XY= 1.7618 XZ= -1.6974 YZ= 3.2465 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.5416 YY= -0.8093 ZZ= -0.7323 XY= 1.7618 XZ= -1.6974 YZ= 3.2465 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -10.1217 YYY= 217.4142 ZZZ= -19.5397 XYY= -7.1386 XXY= 66.7232 XXZ= -2.2696 XZZ= -3.7235 YZZ= 79.5456 YYZ= -19.7753 XYZ= 14.3771 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1199.7752 YYYY= -1917.6526 ZZZZ= -1568.4830 XXXY= 157.6423 XXXZ= -141.1941 YYYX= 154.2794 YYYZ= 321.7328 ZZZX= -131.7905 ZZZY= 298.0838 XXYY= -500.4429 XXZZ= -446.5789 YYZZ= -594.0121 XXYZ= 97.5365 YYXZ= -81.2865 ZZXY= 68.1669 N-N= 2.114413887660D+03 E-N=-8.339100913632D+03 KE= 1.132176755330D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.27113 29.12426 2 O -10.35234 15.96894 3 O -4.34296 2.68614 4 O -4.30027 2.68357 5 O -4.30003 2.68881 6 O -4.29996 2.68871 7 O -4.28383 2.68765 8 O -4.28375 2.68764 9 O -4.28373 2.68764 10 O -4.27250 2.68790 11 O -2.85373 5.08049 12 O -2.84687 5.08657 13 O -2.84686 5.08663 14 O -2.80873 5.06574 15 O -2.80816 5.07553 16 O -2.80812 5.07562 17 O -2.80717 5.09504 18 O -2.80698 5.09461 19 O -2.80694 5.09473 20 O -2.80662 5.08066 21 O -2.80630 5.08938 22 O -2.80624 5.08907 23 O -2.79302 5.08590 24 O -2.79293 5.08591 25 O -2.79290 5.08583 26 O -2.79024 5.08835 27 O -2.79018 5.08934 28 O -2.79016 5.08834 29 O -2.79013 5.08927 30 O -2.79009 5.08977 31 O -2.79008 5.08983 32 O -2.78188 5.08612 33 O -2.77851 5.08973 34 O -2.77850 5.08973 35 O -1.18805 2.85779 36 O -0.58678 2.51745 37 O -0.48336 2.02809 38 O -0.48335 2.02798 39 O -0.47414 2.37084 40 O -0.35861 1.75912 41 O -0.33654 7.85913 42 O -0.33638 7.86214 43 O -0.32444 8.80195 44 O -0.32440 7.06092 45 O -0.32434 8.79518 46 O -0.32136 7.65907 47 O -0.30931 7.84806 48 O -0.30755 8.35542 49 O -0.30752 8.35554 50 O -0.29898 8.70210 51 O -0.29896 8.70159 52 O -0.29359 8.51131 53 O -0.29066 8.92663 54 O -0.28589 8.75512 55 O -0.28585 8.74664 56 O -0.28483 8.73823 57 O -0.28480 8.73718 58 O -0.27430 9.14545 59 O -0.27425 9.14734 60 O -0.26745 9.15979 61 O -0.26524 9.11789 62 O -0.26522 9.11728 63 O -0.26392 8.89771 64 O -0.26257 9.14461 65 O -0.26250 9.14328 66 O -0.26127 8.72713 67 O -0.25855 9.28239 68 O -0.25852 9.28118 69 O -0.25776 9.43507 70 O -0.25770 9.43501 71 O -0.25688 9.65108 72 O -0.25263 9.42255 73 O -0.25261 9.42131 74 O -0.25257 9.33122 75 O -0.24845 9.40388 76 O -0.24843 9.40394 77 O -0.24811 9.23069 78 O -0.24647 9.73746 79 O -0.24332 9.53285 80 O -0.24330 9.53315 81 O -0.20308 2.65240 82 O -0.20297 2.64923 83 O -0.18687 2.44358 84 V -0.08614 1.93998 85 V -0.08610 1.94018 86 V -0.07930 0.87688 87 V -0.07071 0.95199 88 V -0.07069 0.95097 89 V -0.04241 1.06578 90 V -0.03087 0.89568 91 V -0.03083 0.89840 92 V -0.00557 0.62326 93 V -0.00549 0.62236 94 V -0.00479 0.47267 95 V 0.01920 0.34199 96 V 0.02283 0.44299 97 V 0.02815 0.44384 98 V 0.02821 0.44235 99 V 0.03040 0.49100 100 V 0.03891 0.43894 101 V 0.04221 0.40167 102 V 0.04223 0.40131 103 V 0.04466 0.35615 104 V 0.04467 0.35636 105 V 0.04948 0.37694 106 V 0.04953 0.37824 107 V 0.06115 0.47128 108 V 0.06816 0.48789 109 V 0.07001 0.47594 110 V 0.07011 0.47483 111 V 0.08091 0.28950 112 V 0.08093 0.28921 113 V 0.08225 0.37722 114 V 0.08551 0.23684 115 V 0.08571 0.22767 116 V 0.08575 0.22732 117 V 0.10498 0.58472 118 V 0.10509 0.58658 119 V 0.10587 0.51849 120 V 0.10814 0.84772 121 V 0.11874 0.31672 122 V 0.11898 0.31764 123 V 0.15526 0.89607 124 V 0.15538 0.89651 125 V 0.19956 1.24170 126 V 0.21416 0.98710 127 V 0.22814 1.45948 128 V 0.22851 1.45966 129 V 0.24398 1.23378 130 V 0.24922 1.29376 131 V 0.24943 1.29754 132 V 0.25849 1.32655 133 V 0.28909 1.23628 134 V 0.28937 1.23106 135 V 0.30405 1.71788 136 V 0.32175 1.51330 137 V 0.32185 1.52032 138 V 0.34635 1.80838 139 V 0.39753 1.42876 140 V 0.39839 1.42751 141 V 0.53540 2.72321 142 V 0.64052 3.57813 143 V 0.65949 3.96184 144 V 0.66001 3.95254 145 V 0.67440 4.22445 146 V 0.67486 4.21377 147 V 0.67907 3.52209 148 V 0.69858 4.06314 149 V 0.70905 3.83645 150 V 0.70984 3.81924 151 V 0.74974 3.70165 152 V 0.75092 3.72251 153 V 0.79127 4.63689 154 V 0.79656 4.18877 155 V 0.79673 4.16648 156 V 0.83485 3.32091 157 V 0.86012 4.30731 158 V 0.86030 4.30711 159 V 0.86443 4.42784 160 V 0.86946 4.32978 161 V 0.87051 4.33593 162 V 0.88293 4.55812 163 V 0.88356 4.55528 164 V 0.89051 4.03315 165 V 0.93513 3.94981 166 V 0.99768 4.00246 167 V 1.05843 4.52533 168 V 1.05891 4.52328 169 V 1.06043 4.56859 170 V 1.06052 4.57120 171 V 1.08722 4.44296 172 V 1.17083 4.15028 173 V 1.17866 4.26558 174 V 1.17956 4.26643 175 V 1.23181 4.66380 176 V 1.23370 4.66607 177 V 1.28193 4.66793 178 V 1.31044 4.62614 179 V 1.31055 4.62707 180 V 1.31674 4.68144 181 V 1.31704 4.68125 182 V 1.32145 4.63540 183 V 1.33051 4.66540 184 V 1.33083 4.66567 185 V 1.35495 4.82053 186 V 1.52536 2.35004 187 V 1.64114 3.76587 188 V 1.84269 1.96669 189 V 1.84280 1.96607 190 V 2.02085 1.86725 191 V 2.30651 1.37279 192 V 2.31141 1.37709 193 V 3.66680 1.42303 194 V 11.93074 3.23283 Total kinetic energy from orbitals= 1.132176755330D+03 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:22:57 2008, MaxMem= 1258291200 cpu: 2.6 (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= 2742 LenP2D= 11498. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 701 at Fri Apr 11 14:23:03 2008, MaxMem= 1258291200 cpu: 20.0 (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 14:23:03 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 14:23:30 2008, MaxMem= 1258291200 cpu: 104.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole = 7.05751191D-02-1.37606605D-01 1.34343733D-01 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000072130 0.000072201 0.000122710 2 29 -0.000015525 0.000019181 -0.000091451 3 29 -0.000019749 0.000031999 -0.000080769 4 29 -0.000053962 0.000027032 0.000020595 5 29 0.000015567 -0.000201331 -0.000031671 6 29 0.000040585 -0.000047683 0.000004970 7 29 0.000059108 0.000050714 0.000013960 8 29 -0.000052455 -0.000048488 0.000085883 9 6 -0.000014882 -0.000007030 0.000017759 10 8 -0.000030818 0.000103406 -0.000061986 ------------------------------------------------------------------- Cartesian Forces: Max 0.000201331 RMS 0.000065060 Leave Link 716 at Fri Apr 11 14:23:30 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000121508 RMS 0.000027208 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 --- 0.03567 0.04530 0.07075 0.07860 0.08367 Eigenvalues --- 0.08496 0.08525 0.08834 0.09127 0.09338 Eigenvalues --- 0.09358 0.09637 0.10216 0.10550 0.11700 Eigenvalues --- 0.11983 0.12706 0.13089 0.14465 0.16267 Eigenvalues --- 0.17377 0.18824 0.25000 1.215621000.00000 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 RFO step: Lambda=-4.55503202D-07. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00015927 RMS(Int)= 0.00000006 Iteration 2 RMS(Cart)= 0.00000002 RMS(Int)= 0.00000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.68350 0.00007 0.00000 0.00075 0.00075 4.68425 R2 4.68401 0.00004 0.00000 0.00046 0.00046 4.68448 R3 4.76722 0.00008 0.00000 0.00087 0.00087 4.76808 R4 4.74788 0.00002 0.00000 0.00015 0.00015 4.74802 R5 4.71709 0.00003 0.00000 0.00023 0.00023 4.71732 R6 4.68395 0.00004 0.00000 0.00041 0.00041 4.68436 R7 4.71997 -0.00003 0.00000 -0.00019 -0.00019 4.71978 R8 4.74427 0.00006 0.00000 0.00060 0.00060 4.74487 R9 4.74594 0.00002 0.00000 0.00022 0.00022 4.74616 R10 4.71843 -0.00001 0.00000 0.00002 0.00002 4.71846 R11 4.68567 0.00005 0.00000 0.00042 0.00042 4.68609 R12 4.77347 0.00000 0.00000 -0.00004 -0.00004 4.77343 R13 4.99857 -0.00002 0.00000 -0.00022 -0.00022 4.99835 R14 4.77083 0.00001 0.00000 0.00015 0.00015 4.77098 R15 3.62541 -0.00011 0.00000 -0.00063 -0.00063 3.62478 R16 4.68612 0.00002 0.00000 0.00027 0.00027 4.68639 R17 4.68479 0.00006 0.00000 0.00063 0.00063 4.68542 R18 2.21069 -0.00012 0.00000 -0.00010 -0.00010 2.21059 A1 1.11203 0.00000 0.00000 -0.00009 -0.00009 1.11194 A2 1.11151 0.00000 0.00000 -0.00005 -0.00005 1.11146 A3 1.97058 0.00001 0.00000 0.00010 0.00010 1.97068 A4 1.95905 -0.00002 0.00000 -0.00009 -0.00009 1.95895 A5 1.90451 -0.00001 0.00000 -0.00003 -0.00003 1.90448 A6 1.97223 0.00001 0.00000 0.00006 0.00006 1.97229 A7 1.90287 0.00000 0.00000 0.00001 0.00001 1.90288 A8 1.97157 0.00001 0.00000 0.00004 0.00004 1.97162 A9 1.90482 -0.00001 0.00000 -0.00002 -0.00002 1.90481 A10 1.95898 -0.00001 0.00000 -0.00007 -0.00007 1.95891 A11 1.90289 0.00000 0.00000 0.00004 0.00004 1.90293 A12 1.97213 0.00001 0.00000 0.00006 0.00006 1.97219 A13 1.90600 0.00000 0.00000 0.00002 0.00002 1.90602 A14 1.80334 -0.00001 0.00000 -0.00005 -0.00005 1.80330 A15 1.90738 -0.00001 0.00000 -0.00010 -0.00010 1.90729 A16 1.92372 -0.00002 0.00000 -0.00014 -0.00014 1.92358 A17 1.90298 0.00002 0.00000 0.00023 0.00023 1.90321 A18 1.90676 0.00001 0.00000 0.00010 0.00010 1.90685 A19 2.55608 0.00003 0.00000 0.00019 0.00019 2.55627 A20 1.91682 0.00000 0.00000 -0.00010 -0.00010 1.91671 A21 1.11113 0.00001 0.00000 0.00008 0.00008 1.11121 A22 1.07671 0.00002 0.00000 0.00017 0.00017 1.07688 A23 1.90230 0.00002 0.00000 0.00010 0.00010 1.90240 A24 1.95068 0.00004 0.00000 0.00025 0.00025 1.95094 A25 1.97215 0.00001 0.00000 0.00008 0.00008 1.97224 A26 1.97187 0.00002 0.00000 0.00012 0.00012 1.97199 A27 1.07644 0.00002 0.00000 0.00015 0.00015 1.07659 A28 1.90182 0.00002 0.00000 0.00012 0.00012 1.90194 A29 1.95588 0.00000 0.00000 0.00000 0.00000 1.95587 A30 1.11081 0.00001 0.00000 0.00005 0.00005 1.11086 A31 3.13322 0.00004 0.00000 0.00016 0.00016 3.13338 D1 1.79102 0.00000 0.00000 0.00003 0.00003 1.79105 D2 -0.46277 0.00000 0.00000 -0.00005 -0.00005 -0.46283 D3 0.65930 0.00000 0.00000 -0.00004 -0.00004 0.65926 D4 -1.79254 0.00001 0.00000 0.00009 0.00009 -1.79245 D5 -0.65985 0.00000 0.00000 0.00007 0.00007 -0.65978 D6 0.46192 0.00001 0.00000 0.00016 0.00016 0.46208 D7 0.44377 0.00001 0.00000 0.00012 0.00012 0.44389 D8 -0.59635 0.00001 0.00000 0.00003 0.00003 -0.59632 D9 -1.63653 -0.00001 0.00000 -0.00012 -0.00012 -1.63664 D10 2.53858 0.00001 0.00000 0.00016 0.00016 2.53873 D11 1.63666 0.00000 0.00000 0.00006 0.00006 1.63672 D12 0.59654 0.00000 0.00000 -0.00003 -0.00003 0.59650 D13 -0.44364 -0.00002 0.00000 -0.00018 -0.00018 -0.44382 D14 -2.55172 0.00000 0.00000 0.00010 0.00010 -2.55163 D15 0.00013 0.00000 0.00000 -0.00004 -0.00004 0.00009 D16 0.46234 0.00001 0.00000 0.00011 0.00011 0.46245 D17 -1.79059 0.00000 0.00000 0.00000 0.00000 -1.79059 D18 -0.65914 0.00001 0.00000 0.00013 0.00013 -0.65901 D19 -0.63721 0.00000 0.00000 -0.00003 -0.00003 -0.63724 D20 -0.00275 0.00001 0.00000 0.00005 0.00005 -0.00270 D21 0.63765 0.00000 0.00000 0.00002 0.00002 0.63768 D22 0.00205 0.00000 0.00000 0.00001 0.00001 0.00205 D23 -0.46171 -0.00002 0.00000 -0.00021 -0.00021 -0.46193 D24 0.65955 -0.00001 0.00000 -0.00011 -0.00011 0.65945 D25 1.79246 -0.00001 0.00000 -0.00015 -0.00015 1.79230 D26 -0.44394 -0.00001 0.00000 -0.00011 -0.00011 -0.44405 D27 1.63909 -0.00001 0.00000 -0.00008 -0.00008 1.63901 D28 -2.54915 0.00001 0.00000 -0.00001 -0.00001 -2.54916 D29 0.60352 0.00000 0.00000 0.00001 0.00001 0.60353 D30 -0.00105 0.00001 0.00000 0.00009 0.00009 -0.00096 D31 -0.60393 0.00000 0.00000 0.00004 0.00004 -0.60389 D32 -2.52676 -0.00001 0.00000 -0.00020 -0.00020 -2.52696 D33 -3.13133 0.00000 0.00000 -0.00012 -0.00012 -3.13145 D34 2.54899 -0.00001 0.00000 -0.00017 -0.00017 2.54881 D35 0.44364 0.00001 0.00000 0.00016 0.00016 0.44380 D36 -1.63853 0.00001 0.00000 0.00006 0.00006 -1.63847 D37 2.55592 -0.00002 0.00000 -0.00014 -0.00014 2.55578 D38 -2.64672 -0.00001 0.00000 -0.00012 -0.00012 -2.64684 D39 -0.55237 -0.00002 0.00000 -0.00013 -0.00013 -0.55250 D40 0.48314 0.00000 0.00000 0.00010 0.00010 0.48324 D41 1.53405 0.00002 0.00000 0.00015 0.00015 1.53420 Item Value Threshold Converged? Maximum Force 0.000122 0.000450 YES RMS Force 0.000027 0.000300 YES Maximum Displacement 0.000594 0.001800 YES RMS Displacement 0.000159 0.001200 YES Predicted change in Energy=-2.277513D-07 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 2.4784 -DE/DX = 0.0001 ! ! R2 R(1,4) 2.4787 -DE/DX = 0.0 ! ! R3 R(1,5) 2.5227 -DE/DX = 0.0001 ! ! R4 R(2,3) 2.5125 -DE/DX = 0.0 ! ! R5 R(2,4) 2.4962 -DE/DX = 0.0 ! ! R6 R(2,6) 2.4786 -DE/DX = 0.0 ! ! R7 R(2,7) 2.4977 -DE/DX = 0.0 ! ! R8 R(3,4) 2.5106 -DE/DX = 0.0001 ! ! R9 R(3,7) 2.5114 -DE/DX = 0.0 ! ! R10 R(4,7) 2.4969 -DE/DX = 0.0 ! ! R11 R(4,8) 2.4795 -DE/DX = 0.0 ! ! R12 R(5,6) 2.526 -DE/DX = 0.0 ! ! R13 R(5,7) 2.6451 -DE/DX = 0.0 ! ! R14 R(5,8) 2.5246 -DE/DX = 0.0 ! ! R15 R(5,9) 1.9185 -DE/DX = -0.0001 ! ! R16 R(6,7) 2.4798 -DE/DX = 0.0 ! ! R17 R(7,8) 2.4791 -DE/DX = 0.0001 ! ! R18 R(9,10) 1.1698 -DE/DX = -0.0001 ! ! A1 A(2,1,5) 63.7148 -DE/DX = 0.0 ! ! A2 A(4,1,5) 63.6848 -DE/DX = 0.0 ! ! A3 A(1,2,3) 112.9059 -DE/DX = 0.0 ! ! A4 A(1,2,6) 112.2451 -DE/DX = 0.0 ! ! A5 A(1,2,7) 109.1207 -DE/DX = 0.0 ! ! A6 A(3,2,6) 113.0002 -DE/DX = 0.0 ! ! A7 A(4,2,6) 109.0265 -DE/DX = 0.0 ! ! A8 A(1,4,3) 112.9629 -DE/DX = 0.0 ! ! A9 A(1,4,7) 109.1383 -DE/DX = 0.0 ! ! A10 A(1,4,8) 112.2411 -DE/DX = 0.0 ! ! A11 A(2,4,8) 109.0278 -DE/DX = 0.0 ! ! A12 A(3,4,8) 112.9946 -DE/DX = 0.0 ! ! A13 A(1,5,6) 109.2058 -DE/DX = 0.0 ! ! A14 A(1,5,7) 103.324 -DE/DX = 0.0 ! ! A15 A(1,5,8) 109.285 -DE/DX = 0.0 ! ! A16 A(1,5,9) 110.2213 -DE/DX = 0.0 ! ! A17 A(6,5,8) 109.0327 -DE/DX = 0.0 ! ! A18 A(6,5,9) 109.2492 -DE/DX = 0.0 ! ! A19 A(7,5,9) 146.4526 -DE/DX = 0.0 ! ! A20 A(8,5,9) 109.8255 -DE/DX = 0.0 ! ! A21 A(2,6,5) 63.6633 -DE/DX = 0.0 ! ! A22 A(2,7,5) 61.6908 -DE/DX = 0.0 ! ! A23 A(2,7,8) 108.9935 -DE/DX = 0.0 ! ! A24 A(3,7,5) 111.766 -DE/DX = 0.0 ! ! A25 A(3,7,6) 112.996 -DE/DX = 0.0 ! ! A26 A(3,7,8) 112.9799 -DE/DX = 0.0 ! ! A27 A(4,7,5) 61.6756 -DE/DX = 0.0 ! ! A28 A(4,7,6) 108.9665 -DE/DX = 0.0 ! ! A29 A(6,7,8) 112.0635 -DE/DX = 0.0 ! ! A30 A(4,8,5) 63.6449 -DE/DX = 0.0 ! ! A31 A(5,9,10) 179.5204 -DE/DX = 0.0 ! ! D1 D(5,1,2,3) 102.6176 -DE/DX = 0.0 ! ! D2 D(5,1,2,6) -26.5148 -DE/DX = 0.0 ! ! D3 D(5,1,2,7) 37.7748 -DE/DX = 0.0 ! ! D4 D(5,1,4,3) -102.705 -DE/DX = 0.0 ! ! D5 D(5,1,4,7) -37.8064 -DE/DX = 0.0 ! ! D6 D(5,1,4,8) 26.4659 -DE/DX = 0.0 ! ! D7 D(2,1,5,6) 25.4263 -DE/DX = 0.0 ! ! D8 D(2,1,5,7) -34.1683 -DE/DX = 0.0 ! ! D9 D(2,1,5,8) -93.7661 -DE/DX = 0.0 ! ! D10 D(2,1,5,9) 145.4497 -DE/DX = 0.0 ! ! D11 D(4,1,5,6) 93.7737 -DE/DX = 0.0 ! ! D12 D(4,1,5,7) 34.1791 -DE/DX = 0.0 ! ! D13 D(4,1,5,8) -25.4187 -DE/DX = 0.0 ! ! D14 D(4,1,5,9) -146.2029 -DE/DX = 0.0 ! ! D15 D(6,2,4,8) 0.0075 -DE/DX = 0.0 ! ! D16 D(1,2,6,5) 26.4901 -DE/DX = 0.0 ! ! D17 D(3,2,6,5) -102.5932 -DE/DX = 0.0 ! ! D18 D(4,2,6,5) -37.7657 -DE/DX = 0.0 ! ! D19 D(1,2,7,5) -36.5097 -DE/DX = 0.0 ! ! D20 D(1,2,7,8) -0.1576 -DE/DX = 0.0 ! ! D21 D(1,4,7,5) 36.5349 -DE/DX = 0.0 ! ! D22 D(1,4,7,6) 0.1172 -DE/DX = 0.0 ! ! D23 D(1,4,8,5) -26.4542 -DE/DX = 0.0 ! ! D24 D(2,4,8,5) 37.7895 -DE/DX = 0.0 ! ! D25 D(3,4,8,5) 102.7002 -DE/DX = 0.0 ! ! D26 D(1,5,6,2) -25.4358 -DE/DX = 0.0 ! ! D27 D(8,5,6,2) 93.913 -DE/DX = 0.0 ! ! D28 D(9,5,6,2) -146.0555 -DE/DX = 0.0 ! ! D29 D(1,5,7,2) 34.5789 -DE/DX = 0.0 ! ! D30 D(1,5,7,3) -0.0603 -DE/DX = 0.0 ! ! D31 D(1,5,7,4) -34.6025 -DE/DX = 0.0 ! ! D32 D(9,5,7,2) -144.7726 -DE/DX = 0.0 ! ! D33 D(9,5,7,3) -179.4117 -DE/DX = 0.0 ! ! D34 D(9,5,7,4) 146.0461 -DE/DX = 0.0 ! ! D35 D(1,5,8,4) 25.4184 -DE/DX = 0.0 ! ! D36 D(6,5,8,4) -93.8811 -DE/DX = 0.0 ! ! D37 D(9,5,8,4) 146.4436 -DE/DX = 0.0 ! ! D38 D(1,5,9,10) -151.6458 -DE/DX = 0.0 ! ! D39 D(6,5,9,10) -31.6487 -DE/DX = 0.0 ! ! D40 D(7,5,9,10) 27.6816 -DE/DX = 0.0 ! ! D41 D(8,5,9,10) 87.8943 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Largest change from initial coordinates is atom 0 0.000 Angstoms. Leave Link 103 at Fri Apr 11 14:23:30 2008, MaxMem= 1258291200 cpu: 0.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 1.327850 0.793823 1.518627 2 29 0 1.060614 0.354602 -0.905861 3 29 0 -0.999362 1.420622 -1.871568 4 29 0 -0.946041 0.709844 0.535682 5 29 0 0.466876 -1.491329 0.885512 6 29 0 1.248760 -2.056466 -1.449012 7 29 0 -0.995292 -1.016993 -1.267109 8 29 0 -2.057335 -1.472046 0.926253 9 6 0 1.127334 -2.811667 2.110700 10 8 0 1.529547 -3.623534 2.850722 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.478401 0.000000 3 Cu 4.159593 2.512467 0.000000 4 Cu 2.478672 2.496179 2.510558 0.000000 5 Cu 2.522703 2.639886 4.269754 2.638916 0.000000 6 Cu 4.115493 2.478641 4.162061 4.050757 2.526010 7 Cu 4.054180 2.497703 2.511445 2.496888 2.645129 8 Cu 4.116376 4.051529 4.161086 2.479549 2.524613 9 C 3.659279 4.373711 6.188180 4.379567 1.918486 10 O 4.618247 5.491573 7.357915 5.501465 3.088304 6 7 8 9 10 6 Cu 0.000000 7 Cu 2.479791 0.000000 8 Cu 4.112627 2.479082 0.000000 9 C 3.640965 4.374471 3.652345 0.000000 10 O 4.585003 5.488661 4.604152 1.169844 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): 0.3466581 0.2522485 0.2520676 Leave Link 202 at Fri Apr 11 14:23:31 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27113 -10.35234 -4.34296 -4.30027 -4.30003 Alpha occ. eigenvalues -- -4.29996 -4.28383 -4.28375 -4.28373 -4.27250 Alpha occ. eigenvalues -- -2.85373 -2.84687 -2.84686 -2.80873 -2.80816 Alpha occ. eigenvalues -- -2.80812 -2.80717 -2.80698 -2.80694 -2.80662 Alpha occ. eigenvalues -- -2.80630 -2.80624 -2.79302 -2.79293 -2.79290 Alpha occ. eigenvalues -- -2.79024 -2.79018 -2.79016 -2.79013 -2.79009 Alpha occ. eigenvalues -- -2.79008 -2.78188 -2.77851 -2.77850 -1.18805 Alpha occ. eigenvalues -- -0.58678 -0.48336 -0.48335 -0.47414 -0.35861 Alpha occ. eigenvalues -- -0.33654 -0.33638 -0.32444 -0.32440 -0.32434 Alpha occ. eigenvalues -- -0.32136 -0.30931 -0.30755 -0.30752 -0.29898 Alpha occ. eigenvalues -- -0.29896 -0.29359 -0.29066 -0.28589 -0.28585 Alpha occ. eigenvalues -- -0.28483 -0.28480 -0.27430 -0.27425 -0.26745 Alpha occ. eigenvalues -- -0.26524 -0.26522 -0.26392 -0.26257 -0.26250 Alpha occ. eigenvalues -- -0.26127 -0.25855 -0.25852 -0.25776 -0.25770 Alpha occ. eigenvalues -- -0.25688 -0.25263 -0.25261 -0.25257 -0.24845 Alpha occ. eigenvalues -- -0.24843 -0.24811 -0.24647 -0.24332 -0.24330 Alpha occ. eigenvalues -- -0.20308 -0.20297 -0.18687 Alpha virt. eigenvalues -- -0.08614 -0.08610 -0.07930 -0.07071 -0.07069 Alpha virt. eigenvalues -- -0.04241 -0.03087 -0.03083 -0.00557 -0.00549 Alpha virt. eigenvalues -- -0.00479 0.01920 0.02283 0.02815 0.02821 Alpha virt. eigenvalues -- 0.03040 0.03891 0.04221 0.04223 0.04466 Alpha virt. eigenvalues -- 0.04467 0.04948 0.04953 0.06115 0.06816 Alpha virt. eigenvalues -- 0.07001 0.07011 0.08091 0.08093 0.08225 Alpha virt. eigenvalues -- 0.08551 0.08571 0.08575 0.10498 0.10509 Alpha virt. eigenvalues -- 0.10587 0.10814 0.11874 0.11898 0.15526 Alpha virt. eigenvalues -- 0.15538 0.19956 0.21416 0.22814 0.22851 Alpha virt. eigenvalues -- 0.24398 0.24922 0.24943 0.25849 0.28909 Alpha virt. eigenvalues -- 0.28937 0.30405 0.32175 0.32185 0.34635 Alpha virt. eigenvalues -- 0.39753 0.39839 0.53540 0.64052 0.65949 Alpha virt. eigenvalues -- 0.66001 0.67440 0.67486 0.67907 0.69858 Alpha virt. eigenvalues -- 0.70905 0.70984 0.74974 0.75092 0.79127 Alpha virt. eigenvalues -- 0.79656 0.79673 0.83485 0.86012 0.86030 Alpha virt. eigenvalues -- 0.86443 0.86946 0.87051 0.88293 0.88356 Alpha virt. eigenvalues -- 0.89051 0.93513 0.99768 1.05843 1.05891 Alpha virt. eigenvalues -- 1.06043 1.06052 1.08722 1.17083 1.17866 Alpha virt. eigenvalues -- 1.17956 1.23181 1.23370 1.28193 1.31044 Alpha virt. eigenvalues -- 1.31055 1.31674 1.31704 1.32145 1.33051 Alpha virt. eigenvalues -- 1.33083 1.35495 1.52536 1.64114 1.84269 Alpha virt. eigenvalues -- 1.84280 2.02085 2.30651 2.31141 3.66680 Alpha virt. eigenvalues -- 11.93074 Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.27113 -10.35234 -4.34296 -4.30027 -4.30003 1 1 Cu 1S -0.00005 0.00002 0.00070 0.00621 0.00007 2 2S -0.00007 -0.00006 -0.00054 -0.00072 0.00000 3 3S 0.00037 -0.00328 -0.00290 -0.00532 -0.00039 4 4PX 0.00000 -0.00001 0.00004 0.00008 -0.00005 5 4PY 0.00001 -0.00003 0.00007 0.00003 0.00001 6 4PZ 0.00000 -0.00001 0.00004 0.00010 0.00003 7 5PX -0.00005 0.00020 0.00043 0.00086 -0.00067 8 5PY -0.00008 0.00068 0.00164 -0.00019 0.00018 9 5PZ -0.00005 0.00011 0.00020 0.00114 0.00060 10 6PX 0.00012 0.00068 -0.00019 0.00085 0.00046 11 6PY -0.00034 -0.00004 0.00127 0.00088 -0.00010 12 6PZ 0.00025 0.00096 -0.00056 0.00102 -0.00028 13 7D 0 0.00000 -0.00001 0.00004 -0.00004 -0.00009 14 7D+1 0.00000 -0.00001 -0.00001 -0.00005 0.00003 15 7D-1 0.00001 -0.00002 -0.00001 -0.00003 -0.00002 16 7D+2 0.00000 -0.00002 0.00006 -0.00005 0.00005 17 7D-2 0.00000 -0.00001 -0.00003 -0.00001 0.00001 18 8D 0 0.00000 0.00007 -0.00010 0.00009 0.00028 19 8D+1 0.00000 0.00006 -0.00002 0.00015 -0.00009 20 8D-1 -0.00003 0.00016 -0.00009 0.00011 0.00008 21 8D+2 -0.00001 0.00013 -0.00019 0.00015 -0.00017 22 8D-2 -0.00002 0.00008 0.00000 0.00006 -0.00002 23 2 Cu 1S -0.00006 0.00026 0.00023 0.58638 0.71069 24 2S -0.00010 0.00044 -0.00116 0.00362 0.00698 25 3S -0.00049 0.00303 -0.00376 0.00981 0.01042 26 4PX 0.00000 0.00001 0.00000 0.00194 0.00211 27 4PY 0.00000 -0.00002 0.00008 0.00100 0.00121 28 4PZ 0.00000 0.00002 -0.00008 -0.00103 -0.00113 29 5PX -0.00007 -0.00033 0.00079 -0.00102 -0.00282 30 5PY 0.00014 -0.00097 0.00213 -0.00144 -0.00116 31 5PZ -0.00013 0.00094 -0.00207 0.00118 0.00201 32 6PX -0.00006 -0.00031 0.00085 -0.00123 -0.00214 33 6PY 0.00018 0.00022 -0.00018 -0.00101 -0.00065 34 6PZ -0.00020 -0.00020 0.00022 0.00078 0.00155 35 7D 0 0.00000 0.00000 -0.00001 0.00003 0.00003 36 7D+1 0.00000 0.00000 0.00000 -0.00001 -0.00008 37 7D-1 0.00000 0.00002 -0.00001 0.00010 0.00013 38 7D+2 0.00000 0.00000 0.00001 -0.00005 0.00001 39 7D-2 0.00000 0.00000 -0.00001 0.00003 0.00003 40 8D 0 -0.00001 0.00002 -0.00004 -0.00001 -0.00005 41 8D+1 -0.00001 -0.00004 0.00008 -0.00008 -0.00010 42 8D-1 0.00001 -0.00017 0.00037 -0.00014 -0.00014 43 8D+2 0.00002 -0.00005 0.00009 0.00004 -0.00001 44 8D-2 0.00000 0.00004 -0.00007 0.00007 0.00013 45 3 Cu 1S 0.00000 -0.00010 0.00013 0.00370 0.00028 46 2S 0.00000 -0.00018 0.00027 -0.00126 -0.00010 47 3S -0.00047 -0.00203 0.00292 -0.00690 -0.00057 48 4PX 0.00000 0.00000 0.00000 -0.00006 -0.00004 49 4PY 0.00000 0.00000 -0.00001 0.00010 0.00002 50 4PZ 0.00000 0.00000 0.00001 -0.00011 0.00002 51 5PX -0.00004 -0.00018 0.00021 -0.00064 -0.00083 52 5PY 0.00007 0.00036 -0.00041 0.00110 0.00032 53 5PZ -0.00007 -0.00033 0.00038 -0.00127 0.00054 54 6PX 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0.00026 0.00032 0.00037 0.00007 23 2 Cu 1S -0.00045 -0.00020 0.00179 -0.00154 0.00005 24 2S -0.00095 0.00025 -0.00165 0.00134 -0.00065 25 3S 0.03342 -0.00755 0.04802 -0.03988 -0.00035 26 4PX -0.26432 0.05150 -0.38477 0.30572 0.27909 27 4PY -0.43250 -0.36090 -0.17331 0.44473 -0.34675 28 4PZ -0.23031 -0.45536 0.41086 -0.05975 0.36531 29 5PX -0.01296 0.00226 -0.01489 0.01230 0.00593 30 5PY -0.01177 -0.00813 -0.00769 0.01507 -0.00703 31 5PZ -0.00129 -0.01170 0.01491 -0.00380 0.00730 32 6PX 0.00519 0.00099 -0.00786 0.00604 -0.00263 33 6PY 0.00273 0.01470 -0.00108 -0.00698 0.00298 34 6PZ 0.01546 0.01494 -0.00510 -0.00459 -0.00221 35 7D 0 0.00063 0.00025 0.00002 -0.00013 -0.00029 36 7D+1 -0.00015 -0.00049 0.00067 -0.00036 0.00019 37 7D-1 0.00019 -0.00007 0.00051 -0.00045 0.00059 38 7D+2 -0.00016 0.00018 -0.00015 0.00002 0.00056 39 7D-2 -0.00093 -0.00030 -0.00052 0.00063 -0.00021 40 8D 0 -0.00091 0.00074 0.00024 -0.00110 -0.00033 41 8D+1 -0.00001 -0.00074 0.00077 0.00052 0.00053 42 8D-1 -0.00037 0.00006 -0.00043 0.00038 -0.00008 43 8D+2 0.00079 0.00050 -0.00131 0.00058 0.00015 44 8D-2 0.00107 -0.00072 0.00029 0.00097 -0.00026 45 3 Cu 1S -0.00005 0.00001 -0.00009 -0.00022 0.00282 46 2S -0.00004 0.00000 -0.00004 -0.00009 0.00065 47 3S -0.00024 0.00002 -0.00026 -0.00066 0.00594 48 4PX 0.00267 -0.00010 -0.00085 0.00136 -0.01042 49 4PY -0.00105 0.00005 -0.00013 -0.00066 0.01904 50 4PZ -0.00211 -0.00002 0.00150 0.00172 -0.02060 51 5PX -0.00359 0.00032 -0.00096 0.00098 -0.00051 52 5PY 0.00124 0.00000 0.00036 0.00112 0.00157 53 5PZ 0.00310 -0.00017 0.00087 0.00066 -0.00080 54 6PX 0.00671 0.00028 -0.00581 0.00440 0.00237 55 6PY -0.00224 -0.00006 0.00216 0.00537 -0.00584 56 6PZ -0.00598 -0.00017 0.00512 0.00267 0.00373 57 7D 0 0.00006 -0.00001 0.00001 0.00000 0.00013 58 7D+1 -0.00003 0.00000 -0.00001 -0.00003 0.00025 59 7D-1 0.00006 -0.00001 0.00002 0.00002 -0.00049 60 7D+2 -0.00005 0.00001 -0.00001 0.00004 -0.00016 61 7D-2 -0.00007 0.00000 -0.00001 0.00000 -0.00026 62 8D 0 -0.00015 0.00005 -0.00037 -0.00014 -0.00073 63 8D+1 0.00010 -0.00001 0.00017 0.00009 -0.00134 64 8D-1 -0.00056 0.00004 -0.00007 -0.00010 0.00264 65 8D+2 0.00037 -0.00004 0.00011 -0.00048 0.00083 66 8D-2 0.00082 -0.00001 -0.00007 0.00011 0.00141 67 4 Cu 1S 0.00045 0.00017 -0.00222 -0.00089 -0.00008 68 2S 0.00100 -0.00021 0.00196 0.00074 -0.00056 69 3S -0.03865 0.00621 -0.05781 -0.02237 -0.00146 70 4PX 0.07165 0.50917 -0.44233 0.08742 0.17004 71 4PY 0.36054 0.26534 0.47162 0.36637 -0.35543 72 4PZ 0.24469 0.05286 0.22485 0.11468 0.50773 73 5PX -0.00382 0.01306 -0.01666 0.00138 0.00333 74 5PY 0.01334 0.00573 0.01828 0.01247 -0.00723 75 5PZ 0.01140 0.00079 0.00922 0.00469 0.01088 76 6PX -0.00998 -0.01691 0.00011 -0.00744 -0.00126 77 6PY 0.00260 -0.01171 0.00028 -0.00466 0.00395 78 6PZ -0.01014 -0.00345 0.01030 0.00243 -0.00603 79 7D 0 0.00013 0.00013 -0.00042 -0.00014 0.00067 80 7D+1 -0.00020 0.00034 -0.00039 -0.00003 -0.00029 81 7D-1 0.00074 0.00021 0.00047 0.00027 0.00029 82 7D+2 -0.00050 -0.00043 -0.00024 -0.00027 0.00030 83 7D-2 -0.00034 0.00022 -0.00091 -0.00032 0.00055 84 8D 0 -0.00064 0.00012 0.00086 0.00054 0.00057 85 8D+1 0.00065 0.00051 -0.00113 0.00026 0.00004 86 8D-1 -0.00110 0.00046 0.00086 0.00103 -0.00016 87 8D+2 0.00050 -0.00121 0.00056 -0.00100 -0.00017 88 8D-2 0.00073 0.00034 0.00002 0.00036 0.00009 89 5 Cu 1S -0.00001 -0.00001 0.00004 0.00013 -0.00252 90 2S 0.00000 0.00000 0.00002 0.00006 -0.00133 91 3S -0.00045 -0.00001 -0.00016 -0.00013 -0.00621 92 4PX -0.00246 0.00048 -0.00303 0.00236 0.00347 93 4PY 0.00074 -0.00002 0.00117 0.00316 -0.00724 94 4PZ 0.00229 -0.00025 0.00264 0.00135 0.00622 95 5PX -0.00486 0.00063 -0.00306 0.00287 -0.00004 96 5PY 0.00148 0.00000 0.00105 0.00294 0.00002 97 5PZ 0.00450 -0.00034 0.00290 0.00201 -0.00027 98 6PX 0.00942 0.00024 -0.00633 0.00509 0.00066 99 6PY -0.00317 -0.00006 0.00224 0.00575 -0.00090 100 6PZ -0.00831 -0.00018 0.00569 0.00325 0.00129 101 7D 0 0.00005 0.00001 -0.00020 -0.00012 -0.00003 102 7D+1 -0.00002 -0.00001 0.00007 -0.00014 -0.00012 103 7D-1 0.00003 -0.00001 0.00007 -0.00006 0.00024 104 7D+2 -0.00003 0.00000 0.00002 -0.00019 0.00010 105 7D-2 -0.00004 0.00002 -0.00016 0.00004 0.00013 106 8D 0 -0.00067 -0.00006 0.00113 0.00059 0.00019 107 8D+1 0.00026 0.00005 -0.00040 0.00056 0.00071 108 8D-1 -0.00014 0.00004 -0.00028 0.00027 -0.00139 109 8D+2 0.00031 0.00002 -0.00017 0.00105 -0.00056 110 8D-2 0.00008 -0.00008 0.00073 -0.00026 -0.00073 111 6 Cu 1S -0.00246 0.00010 -0.00027 -0.00010 -0.00123 112 2S -0.00108 0.00013 -0.00106 -0.00043 -0.00053 113 3S -0.00960 0.00130 -0.01111 -0.00445 -0.00081 114 4PX -0.02752 0.01589 0.00973 -0.00707 -0.01291 115 4PY 0.03270 0.00990 -0.00401 -0.00924 0.01848 116 4PZ 0.00733 0.00240 0.00208 -0.00142 0.00821 117 5PX 0.00019 -0.00072 0.00082 0.00404 -0.00050 118 5PY -0.00179 -0.00004 -0.00357 0.00093 0.00077 119 5PZ 0.00320 -0.00007 -0.00166 0.00008 -0.00017 120 6PX -0.00111 0.00439 0.00333 -0.00206 0.00185 121 6PY -0.00105 0.00334 -0.00277 -0.00310 -0.00157 122 6PZ -0.01213 0.00082 0.00496 0.00108 0.00086 123 7D 0 0.00027 -0.00003 -0.00012 -0.00004 0.00011 124 7D+1 0.00014 -0.00008 -0.00006 -0.00002 0.00007 125 7D-1 -0.00022 -0.00013 0.00007 0.00007 -0.00010 126 7D+2 0.00003 0.00040 0.00007 -0.00021 0.00008 127 7D-2 0.00033 -0.00014 -0.00018 0.00001 0.00021 128 8D 0 -0.00128 0.00018 0.00060 0.00026 -0.00071 129 8D+1 -0.00065 0.00040 0.00043 0.00033 -0.00010 130 8D-1 0.00108 0.00072 -0.00061 -0.00038 0.00017 131 8D+2 0.00000 -0.00225 -0.00042 0.00125 -0.00045 132 8D-2 -0.00122 0.00076 0.00113 -0.00010 -0.00109 133 7 Cu 1S -0.00011 0.00003 0.00035 0.00228 0.00034 134 2S -0.00022 -0.00005 -0.00037 -0.00217 -0.00086 135 3S 0.00623 0.00130 0.01030 0.06334 0.00446 136 4PX 0.58906 -0.44746 -0.25694 0.48619 0.16654 137 4PY -0.06239 0.08557 0.10743 0.27355 -0.33277 138 4PZ -0.36427 0.33858 0.31988 0.48420 0.32696 139 5PX 0.01238 -0.01043 -0.00650 0.01840 0.00370 140 5PY -0.00027 0.00214 0.00338 0.01027 -0.00615 141 5PZ -0.00604 0.00817 0.01001 0.01956 0.00681 142 6PX -0.01464 0.01668 0.01022 0.00008 -0.00027 143 6PY 0.00117 -0.00290 -0.00013 0.00961 0.00074 144 6PZ 0.01184 -0.01187 -0.00717 0.00166 -0.00004 145 7D 0 0.00084 -0.00041 -0.00028 -0.00038 -0.00044 146 7D+1 -0.00034 0.00009 -0.00010 -0.00101 -0.00053 147 7D-1 0.00049 -0.00031 -0.00025 -0.00050 0.00019 148 7D+2 -0.00071 0.00035 0.00015 -0.00029 -0.00033 149 7D-2 -0.00061 0.00027 0.00008 -0.00045 0.00019 150 8D 0 -0.00091 -0.00075 -0.00089 0.00084 -0.00033 151 8D+1 0.00040 0.00026 0.00032 0.00006 -0.00015 152 8D-1 -0.00051 -0.00036 -0.00082 -0.00095 -0.00045 153 8D+2 0.00071 0.00056 0.00094 0.00047 -0.00042 154 8D-2 0.00079 0.00024 0.00042 -0.00110 -0.00014 155 8 Cu 1S 0.00206 -0.00014 0.00024 -0.00020 -0.00129 156 2S 0.00087 -0.00015 0.00087 -0.00075 -0.00049 157 3S 0.00807 -0.00153 0.00914 -0.00779 -0.00056 158 4PX -0.01872 0.00055 0.00105 -0.00165 0.01688 159 4PY -0.01767 -0.01237 -0.00174 -0.00971 0.01513 160 4PZ 0.02664 -0.01434 -0.01148 -0.00179 -0.01297 161 5PX -0.00213 -0.00012 0.00216 -0.00164 0.00031 162 5PY 0.00198 0.00024 0.00336 0.00074 0.00072 163 5PZ -0.00104 0.00080 0.00043 0.00368 -0.00086 164 6PX 0.00958 -0.00033 -0.00249 0.00173 -0.00008 165 6PY 0.00131 -0.00404 0.00136 -0.00419 -0.00105 166 6PZ 0.00617 -0.00370 -0.00537 0.00073 0.00291 167 7D 0 0.00010 -0.00031 -0.00015 -0.00011 0.00002 168 7D+1 -0.00032 0.00020 0.00017 -0.00005 0.00017 169 7D-1 -0.00015 0.00001 0.00007 -0.00006 0.00017 170 7D+2 0.00003 -0.00017 -0.00007 -0.00008 0.00001 171 7D-2 0.00023 0.00020 -0.00005 0.00014 -0.00019 172 8D 0 -0.00048 0.00176 0.00082 0.00079 0.00011 173 8D+1 0.00149 -0.00108 -0.00098 0.00046 -0.00073 174 8D-1 0.00044 -0.00003 -0.00039 0.00035 -0.00107 175 8D+2 -0.00010 0.00093 0.00057 0.00038 -0.00038 176 8D-2 -0.00102 -0.00113 0.00044 -0.00079 0.00080 177 9 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00004 178 2S 0.00000 0.00000 0.00001 0.00006 -0.00098 179 3S -0.00001 0.00000 -0.00001 -0.00018 0.00351 180 4PX -0.00011 0.00001 -0.00004 0.00002 0.00017 181 4PY 0.00004 0.00000 0.00003 0.00006 -0.00034 182 4PZ 0.00010 0.00000 0.00002 0.00000 0.00030 183 5PX 0.00145 -0.00027 0.00163 -0.00138 0.00012 184 5PY -0.00051 0.00000 -0.00060 -0.00160 -0.00017 185 5PZ -0.00123 0.00015 -0.00147 -0.00090 0.00033 186 10 O 1S 0.00000 0.00000 0.00000 0.00000 0.00002 187 2S 0.00001 0.00000 0.00000 -0.00001 0.00043 188 3S -0.00004 0.00000 -0.00002 0.00004 -0.00179 189 4PX 0.00008 -0.00001 0.00007 -0.00006 0.00004 190 4PY -0.00003 0.00000 -0.00002 -0.00006 -0.00007 191 4PZ -0.00007 0.00001 -0.00007 -0.00005 0.00009 192 5PX -0.00051 0.00009 -0.00054 0.00047 0.00008 193 5PY 0.00017 0.00000 0.00019 0.00053 -0.00022 194 5PZ 0.00045 -0.00005 0.00051 0.00031 0.00009 21 22 23 24 25 O O O O O EIGENVALUES -- -2.80630 -2.80624 -2.79302 -2.79293 -2.79290 1 1 Cu 1S 0.00000 -0.00051 -0.00244 0.00072 0.00136 2 2S 0.00006 0.00033 0.00543 0.00071 0.00154 3 3S 0.00003 0.00043 -0.05418 0.01047 0.01910 4 4PX -0.01318 -0.00896 0.56604 -0.03035 -0.04685 5 4PY 0.00209 -0.00483 0.44848 -0.02456 -0.03631 6 4PZ 0.00844 -0.01507 0.67774 -0.03780 -0.05549 7 5PX 0.00201 -0.00131 0.01752 -0.00311 -0.00242 8 5PY -0.00044 -0.00047 0.01438 -0.00219 -0.00447 9 5PZ -0.00160 -0.00108 0.02088 -0.00098 -0.00371 10 6PX -0.00928 0.00333 0.00118 -0.00261 -0.00158 11 6PY 0.00138 -0.00303 0.00104 -0.00190 -0.00435 12 6PZ 0.00714 0.00258 0.00145 -0.00013 -0.00268 13 7D 0 0.00019 -0.00015 0.00053 0.00000 -0.00004 14 7D+1 -0.00009 -0.00020 0.00199 -0.00012 -0.00017 15 7D-1 0.00005 -0.00006 0.00166 -0.00008 -0.00017 16 7D+2 -0.00014 -0.00008 0.00024 -0.00002 0.00001 17 7D-2 -0.00001 -0.00003 0.00140 -0.00011 -0.00013 18 8D 0 -0.00084 0.00086 0.00011 -0.00020 -0.00001 19 8D+1 0.00043 0.00112 -0.00008 0.00007 0.00003 20 8D-1 -0.00009 0.00012 -0.00006 -0.00006 0.00020 21 8D+2 0.00054 0.00045 0.00021 0.00008 -0.00019 22 8D-2 -0.00012 0.00006 -0.00013 0.00021 0.00008 23 2 Cu 1S 0.00074 -0.00054 0.00115 0.00183 -0.00063 24 2S -0.00033 0.00032 -0.00005 0.00228 0.00103 25 3S -0.00181 0.00219 0.02873 0.00929 -0.03112 26 4PX -0.46883 0.30844 0.00373 -0.00035 -0.00317 27 4PY 0.39737 -0.17719 0.00709 -0.01376 0.03858 28 4PZ -0.29463 0.25172 0.04193 -0.00358 0.00295 29 5PX -0.01055 0.00686 -0.00049 -0.00222 -0.00023 30 5PY 0.01017 -0.00706 -0.00127 -0.00178 0.00489 31 5PZ -0.00964 0.00619 0.00500 0.00047 -0.00158 32 6PX 0.01689 -0.01256 -0.00007 -0.00070 0.00002 33 6PY -0.01172 0.01515 0.00031 -0.00278 0.00666 34 6PZ 0.01695 -0.00597 0.00718 0.00006 -0.00025 35 7D 0 0.00044 -0.00020 0.00041 -0.00007 0.00018 36 7D+1 -0.00016 0.00005 0.00007 0.00002 0.00004 37 7D-1 -0.00059 0.00036 0.00013 0.00006 -0.00017 38 7D+2 -0.00071 0.00050 0.00005 -0.00013 0.00030 39 7D-2 0.00014 -0.00014 0.00004 -0.00005 0.00002 40 8D 0 -0.00044 -0.00085 -0.00264 0.00044 -0.00115 41 8D+1 0.00094 0.00011 -0.00029 -0.00012 -0.00025 42 8D-1 0.00027 -0.00017 -0.00079 -0.00033 0.00104 43 8D+2 -0.00060 -0.00026 -0.00032 0.00089 -0.00190 44 8D-2 -0.00007 0.00100 -0.00021 0.00024 -0.00002 45 3 Cu 1S -0.00020 -0.00032 -0.00086 0.00069 0.00134 46 2S -0.00006 -0.00008 -0.00138 0.00111 0.00215 47 3S -0.00052 -0.00069 -0.00482 0.00387 0.00749 48 4PX 0.01179 -0.00773 0.00030 0.00000 -0.00036 49 4PY -0.00489 -0.01283 -0.00028 0.00034 0.00072 50 4PZ -0.00836 -0.00414 0.00047 -0.00040 -0.00051 51 5PX -0.00227 0.00189 -0.00110 -0.00114 0.00082 52 5PY 0.00066 0.00200 -0.00036 -0.00062 -0.00177 53 5PZ 0.00202 0.00141 -0.00140 0.00124 0.00020 54 6PX 0.00941 -0.00812 -0.00170 -0.00070 0.00172 55 6PY -0.00270 -0.00863 0.00074 -0.00154 -0.00358 56 6PZ -0.00863 -0.00608 -0.00251 0.00214 0.00187 57 7D 0 0.00040 0.00022 0.00003 -0.00001 0.00001 58 7D+1 -0.00017 0.00014 0.00006 0.00001 0.00000 59 7D-1 -0.00005 0.00009 -0.00001 0.00006 0.00004 60 7D+2 -0.00009 0.00041 0.00001 0.00001 0.00003 61 7D-2 0.00023 -0.00010 -0.00001 -0.00003 0.00005 62 8D 0 -0.00217 -0.00115 -0.00019 0.00010 -0.00009 63 8D+1 0.00089 -0.00069 -0.00039 -0.00007 0.00005 64 8D-1 0.00024 -0.00046 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-0.00122 -0.00038 85 8D+1 -0.00059 0.00011 -0.00156 -0.00034 -0.00026 86 8D-1 0.00044 0.00069 -0.00031 -0.00041 0.00018 87 8D+2 0.00038 -0.00125 -0.00224 -0.00127 -0.00029 88 8D-2 -0.00078 0.00016 0.00012 0.00178 0.00039 89 5 Cu 1S 0.00017 0.00027 0.00063 -0.00051 -0.00098 90 2S 0.00010 0.00016 -0.00026 0.00020 0.00035 91 3S 0.00035 0.00059 0.02488 -0.02010 -0.03855 92 4PX 0.00353 -0.00336 0.00343 0.00928 0.00013 93 4PY -0.00074 -0.00283 0.00855 -0.00138 0.00070 94 4PZ -0.00368 -0.00280 0.00244 -0.00256 0.00801 95 5PX 0.00310 -0.00247 0.00216 0.00126 -0.00202 96 5PY -0.00105 -0.00301 -0.00057 0.00181 0.00431 97 5PZ -0.00258 -0.00172 0.00304 -0.00262 -0.00176 98 6PX 0.00063 -0.00088 0.00150 0.00362 -0.00011 99 6PY -0.00015 -0.00082 0.00313 -0.00028 0.00078 100 6PZ -0.00068 -0.00068 0.00115 -0.00113 0.00291 101 7D 0 0.00014 0.00009 -0.00018 0.00030 -0.00023 102 7D+1 -0.00004 0.00009 0.00006 -0.00006 0.00019 103 7D-1 -0.00006 0.00000 0.00015 0.00002 -0.00016 104 7D+2 -0.00003 0.00012 -0.00028 -0.00032 -0.00011 105 7D-2 0.00008 -0.00005 0.00022 -0.00001 0.00002 106 8D 0 -0.00061 -0.00033 0.00097 -0.00170 0.00122 107 8D+1 0.00018 -0.00021 -0.00034 0.00025 -0.00117 108 8D-1 0.00014 0.00013 -0.00100 -0.00008 0.00108 109 8D+2 0.00021 -0.00054 0.00150 0.00182 0.00067 110 8D-2 -0.00017 0.00030 -0.00133 0.00019 -0.00004 111 6 Cu 1S 0.00070 0.00039 -0.00069 0.00012 0.00282 112 2S -0.00025 -0.00005 -0.00177 0.00321 -0.00433 113 3S -0.00047 -0.00001 -0.00737 -0.00567 0.05778 114 4PX 0.00734 0.01844 -0.03179 0.16736 -0.51053 115 4PY -0.01994 -0.00025 0.04119 -0.21027 0.64531 116 4PZ -0.00728 -0.00121 0.02988 -0.15169 0.46322 117 5PX 0.00188 -0.00161 -0.00103 0.00307 -0.01671 118 5PY -0.00090 -0.00203 -0.00053 -0.00602 0.02027 119 5PZ -0.00041 -0.00056 -0.00166 -0.00251 0.01622 120 6PX -0.00580 0.00817 0.00015 -0.00223 -0.00218 121 6PY 0.00119 0.00787 -0.00213 0.00030 0.00191 122 6PZ -0.00298 0.00051 -0.00323 0.00271 0.00281 123 7D 0 -0.00015 -0.00009 0.00004 -0.00011 0.00027 124 7D+1 -0.00005 -0.00005 0.00009 -0.00042 0.00138 125 7D-1 0.00011 -0.00001 -0.00008 0.00055 -0.00171 126 7D+2 -0.00017 0.00018 0.00001 -0.00015 0.00040 127 7D-2 -0.00020 -0.00020 0.00011 -0.00058 0.00179 128 8D 0 0.00091 0.00043 -0.00014 0.00000 0.00030 129 8D+1 0.00017 -0.00002 -0.00003 -0.00015 -0.00020 130 8D-1 -0.00030 0.00002 -0.00019 -0.00001 0.00008 131 8D+2 0.00087 -0.00071 0.00015 0.00015 0.00003 132 8D-2 0.00115 0.00103 -0.00002 -0.00004 -0.00010 133 7 Cu 1S 0.00010 0.00085 -0.00178 -0.00061 -0.00124 134 2S -0.00001 -0.00034 -0.00243 0.00030 0.00053 135 3S -0.00054 -0.00398 -0.00572 -0.01946 -0.03827 136 4PX -0.10071 -0.10713 -0.00195 0.02642 -0.03119 137 4PY 0.13693 0.77349 0.00121 0.00247 0.01942 138 4PZ -0.00643 -0.35810 -0.00397 -0.03627 -0.01137 139 5PX -0.00079 -0.00463 -0.00128 0.00114 -0.00429 140 5PY 0.00289 0.01876 -0.00162 0.00058 0.00224 141 5PZ -0.00173 -0.01098 -0.00145 -0.00421 -0.00361 142 6PX -0.00485 0.00598 -0.00088 0.00358 -0.00573 143 6PY -0.00295 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0.00381 163 5PZ -0.00194 -0.00084 -0.00162 -0.01260 -0.00546 164 6PX 0.00077 -0.00039 -0.00355 0.00115 0.00474 165 6PY 0.00223 0.00909 -0.00146 0.00113 -0.00004 166 6PZ 0.00776 0.00447 -0.00055 -0.00044 -0.00182 167 7D 0 0.00010 0.00016 0.00003 0.00062 0.00021 168 7D+1 0.00007 -0.00020 0.00015 0.00169 0.00057 169 7D-1 0.00013 -0.00013 0.00008 0.00095 0.00030 170 7D+2 0.00009 0.00006 -0.00007 -0.00108 -0.00038 171 7D-2 -0.00019 0.00005 -0.00011 -0.00170 -0.00053 172 8D 0 -0.00039 -0.00087 0.00016 -0.00016 -0.00007 173 8D+1 -0.00047 0.00080 -0.00012 0.00007 -0.00015 174 8D-1 -0.00080 0.00083 -0.00002 -0.00007 -0.00001 175 8D+2 -0.00059 -0.00013 -0.00008 0.00020 0.00028 176 8D-2 0.00081 -0.00037 -0.00018 0.00002 -0.00010 177 9 C 1S 0.00000 0.00001 0.00008 -0.00006 -0.00012 178 2S 0.00008 0.00012 0.00092 -0.00074 -0.00140 179 3S -0.00034 -0.00048 -0.00678 0.00547 0.01045 180 4PX 0.00006 -0.00007 -0.00005 -0.00025 -0.00006 181 4PY 0.00000 -0.00003 -0.00027 0.00009 0.00009 182 4PZ -0.00008 -0.00007 0.00001 0.00000 -0.00031 183 5PX -0.00164 0.00133 0.00034 0.00094 0.00001 184 5PY 0.00052 0.00158 0.00086 -0.00014 0.00008 185 5PZ 0.00143 0.00095 0.00021 -0.00024 0.00087 186 10 O 1S 0.00000 0.00000 -0.00002 0.00001 0.00003 187 2S -0.00004 -0.00005 -0.00039 0.00031 0.00060 188 3S 0.00016 0.00023 0.00179 -0.00144 -0.00274 189 4PX -0.00012 0.00009 0.00005 0.00004 -0.00004 190 4PY 0.00004 0.00012 0.00001 0.00003 0.00008 191 4PZ 0.00010 0.00006 0.00006 -0.00005 -0.00001 192 5PX 0.00070 -0.00058 -0.00048 -0.00007 0.00053 193 5PY -0.00020 -0.00064 0.00038 -0.00052 -0.00112 194 5PZ -0.00064 -0.00043 -0.00072 0.00060 0.00067 26 27 28 29 30 O O O O O EIGENVALUES -- -2.79024 -2.79018 -2.79016 -2.79013 -2.79009 1 1 Cu 1S 0.00023 0.00011 0.00075 0.00029 0.00028 2 2S 0.00047 0.00022 0.00140 0.00054 0.00044 3 3S -0.00607 0.00234 0.01361 0.00531 0.00250 4 4PX -0.14511 0.74996 -0.21574 0.19134 -0.04014 5 4PY 0.86791 -0.13501 0.12022 -0.01507 -0.02462 6 4PZ -0.45200 -0.53704 0.10037 -0.15003 0.04903 7 5PX -0.00212 0.01563 -0.00618 0.00300 -0.00296 8 5PY 0.01959 -0.00368 -0.00234 -0.00214 -0.00013 9 5PZ -0.00853 -0.01160 0.00097 -0.00335 0.00127 10 6PX 0.00219 -0.00691 -0.00197 0.00253 -0.00238 11 6PY -0.00604 0.00128 0.00016 -0.00051 -0.00298 12 6PZ 0.00471 0.00427 -0.00216 -0.00323 0.00237 13 7D 0 -0.00142 -0.00161 0.00034 -0.00042 0.00017 14 7D+1 -0.00095 0.00050 -0.00023 0.00010 -0.00001 15 7D-1 0.00103 -0.00097 0.00036 -0.00021 0.00002 16 7D+2 -0.00126 0.00132 -0.00039 0.00033 -0.00007 17 7D-2 0.00114 0.00082 -0.00014 0.00021 -0.00009 18 8D 0 -0.00024 -0.00043 -0.00024 -0.00031 -0.00013 19 8D+1 -0.00007 0.00016 -0.00008 0.00005 0.00011 20 8D-1 -0.00009 0.00008 0.00004 -0.00008 -0.00003 21 8D+2 -0.00035 0.00007 -0.00063 -0.00007 0.00027 22 8D-2 0.00005 -0.00018 0.00022 0.00016 0.00000 23 2 Cu 1S 0.00018 -0.00004 -0.00019 -0.00007 0.00003 24 2S 0.00134 0.00126 -0.00077 -0.00058 -0.00044 25 3S -0.00649 -0.02124 0.00488 -0.00144 0.00905 26 4PX -0.00199 -0.00627 0.00148 -0.00082 0.00250 27 4PY -0.00407 -0.00215 -0.00215 -0.01125 -0.00564 28 4PZ -0.01170 -0.01915 0.00213 -0.01093 0.00101 29 5PX 0.00200 0.00071 -0.00116 -0.00119 -0.00009 30 5PY -0.00326 0.00142 0.00036 0.00247 0.00001 31 5PZ 0.00238 0.00059 -0.00134 -0.00243 0.00117 32 6PX 0.00529 0.00479 0.00201 -0.00589 -0.00090 33 6PY -0.00160 0.00293 -0.00501 0.00004 0.00070 34 6PZ -0.00443 -0.00917 0.00539 -0.00697 0.00715 35 7D 0 -0.00022 -0.00037 0.00003 -0.00017 -0.00006 36 7D+1 -0.00001 -0.00003 0.00001 -0.00002 0.00004 37 7D-1 -0.00006 -0.00008 0.00006 0.00002 0.00004 38 7D+2 0.00005 0.00004 -0.00001 -0.00021 -0.00012 39 7D-2 -0.00002 -0.00002 0.00001 0.00000 0.00004 40 8D 0 0.00151 0.00234 -0.00018 0.00120 0.00034 41 8D+1 0.00002 -0.00015 0.00007 -0.00002 -0.00031 42 8D-1 -0.00002 0.00037 -0.00027 0.00017 -0.00025 43 8D+2 -0.00031 -0.00029 0.00013 0.00137 0.00074 44 8D-2 0.00009 -0.00001 -0.00005 -0.00005 -0.00040 45 3 Cu 1S 0.00075 -0.00014 -0.00076 -0.00030 0.00009 46 2S 0.00133 -0.00025 -0.00135 -0.00054 0.00016 47 3S 0.00999 -0.00187 -0.01034 -0.00416 0.00127 48 4PX -0.00044 0.00040 -0.00035 0.00075 -0.00029 49 4PY -0.00005 -0.00016 -0.00052 -0.00034 0.00048 50 4PZ -0.00064 -0.00023 0.00045 -0.00045 0.00056 51 5PX 0.00191 0.00172 -0.00064 -0.00111 -0.00051 52 5PY -0.00152 0.00028 0.00355 0.00155 0.00044 53 5PZ 0.00298 -0.00167 -0.00168 -0.00009 0.00145 54 6PX 0.00304 -0.00382 0.00352 -0.00613 0.00258 55 6PY 0.00154 0.00123 0.00309 0.00243 -0.00421 56 6PZ 0.00421 0.00254 -0.00290 0.00413 -0.00531 57 7D 0 -0.00002 0.00006 -0.00002 -0.00003 -0.00005 58 7D+1 -0.00001 -0.00002 0.00000 0.00001 0.00002 59 7D-1 0.00001 0.00000 -0.00002 0.00000 0.00000 60 7D+2 -0.00002 -0.00004 -0.00003 -0.00001 0.00000 61 7D-2 0.00002 0.00002 0.00000 -0.00001 0.00000 62 8D 0 0.00016 -0.00038 0.00016 0.00021 0.00033 63 8D+1 0.00011 0.00016 -0.00002 -0.00008 -0.00009 64 8D-1 -0.00011 0.00004 0.00013 0.00001 -0.00002 65 8D+2 0.00016 0.00024 0.00025 0.00004 0.00002 66 8D-2 -0.00013 -0.00014 -0.00002 0.00009 0.00000 67 4 Cu 1S 0.00018 -0.00003 -0.00018 -0.00007 0.00002 68 2S 0.00130 -0.00151 -0.00046 0.00010 0.00132 69 3S -0.00566 0.02141 -0.00497 0.00151 -0.02219 70 4PX -0.01029 0.01512 -0.01161 0.00884 0.00959 71 4PY -0.00221 -0.00093 -0.00652 0.00615 0.01712 72 4PZ -0.00455 0.01174 -0.00386 0.00208 -0.00757 73 5PX 0.00087 -0.00108 -0.00142 0.00050 -0.00181 74 5PY -0.00316 -0.00089 0.00219 -0.00149 0.00029 75 5PZ 0.00319 -0.00139 -0.00241 0.00069 0.00018 76 6PX -0.00553 0.00936 -0.00406 0.00470 -0.00412 77 6PY 0.00011 -0.00651 -0.00171 -0.00234 0.01178 78 6PZ 0.00394 -0.00062 -0.00178 0.00870 -0.00170 79 7D 0 0.00011 -0.00016 -0.00003 0.00008 0.00018 80 7D+1 -0.00013 0.00022 -0.00009 0.00004 0.00003 81 7D-1 0.00000 -0.00001 -0.00001 0.00006 0.00006 82 7D+2 -0.00014 0.00025 -0.00017 0.00016 0.00023 83 7D-2 -0.00001 0.00001 0.00009 -0.00006 -0.00024 84 8D 0 -0.00071 0.00119 0.00014 -0.00043 -0.00123 85 8D+1 0.00087 -0.00114 0.00049 -0.00015 0.00002 86 8D-1 -0.00019 0.00022 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-0.00066 -0.00003 0.00259 -0.00030 107 8D+1 -0.00020 0.00022 -0.00027 -0.00108 0.00025 108 8D-1 -0.00077 0.00004 0.00010 0.00058 -0.00011 109 8D+2 0.00164 0.00064 0.00216 -0.00080 -0.00014 110 8D-2 -0.00122 -0.00025 -0.00045 -0.00012 0.00028 111 6 Cu 1S -0.00046 0.00075 -0.00003 -0.00032 -0.00062 112 2S -0.00088 0.00131 -0.00003 -0.00068 -0.00101 113 3S -0.01094 0.00885 0.00672 0.00189 -0.00774 114 4PX 0.02061 -0.03067 0.16907 0.14302 -0.32102 115 4PY 0.05704 0.05130 -0.14029 -0.42654 -0.13958 116 4PZ -0.05686 -0.10368 0.38163 0.75315 -0.16159 117 5PX 0.00186 -0.00072 0.00304 0.00282 -0.00442 118 5PY 0.00073 0.00343 -0.00273 -0.00778 -0.00403 119 5PZ -0.00526 0.00005 0.01087 0.01537 -0.00436 120 6PX -0.00189 0.00019 -0.00617 0.00074 0.00448 121 6PY -0.00528 -0.00022 0.00119 0.00423 0.00305 122 6PZ 0.00128 0.00539 -0.00634 -0.00276 -0.00438 123 7D 0 0.00021 0.00022 -0.00093 -0.00165 0.00036 124 7D+1 -0.00014 -0.00010 0.00031 0.00089 0.00023 125 7D-1 0.00001 0.00010 -0.00052 -0.00081 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0.01620 0.02091 32 6PX -0.00059 0.00684 -0.01941 -0.00141 0.04556 33 6PY 0.00572 -0.01929 0.02283 -0.01051 0.03339 34 6PZ -0.00700 -0.00002 -0.02931 0.00993 -0.03337 35 7D 0 0.00046 -0.00052 -0.00067 0.00163 -0.03405 36 7D+1 -0.00127 0.00040 0.00072 -0.00918 -0.07831 37 7D-1 -0.00247 -0.00008 0.00113 -0.01296 -0.03063 38 7D+2 -0.00090 -0.00054 0.00064 -0.00318 0.06034 39 7D-2 0.00129 0.00041 -0.00046 0.00932 0.07745 40 8D 0 -0.00035 -0.00057 -0.00041 0.00036 -0.01243 41 8D+1 -0.00025 0.00012 0.00018 -0.00347 -0.02795 42 8D-1 -0.00033 -0.00010 0.00061 -0.00369 -0.01065 43 8D+2 0.00065 -0.00047 0.00022 -0.00070 0.02200 44 8D-2 0.00019 0.00007 -0.00011 0.00354 0.02763 45 3 Cu 1S -0.00025 0.00004 0.00002 -0.00172 -0.00916 46 2S 0.00050 -0.00007 -0.00003 0.00396 0.11625 47 3S -0.00030 0.00039 0.00013 -0.02460 0.03610 48 4PX -0.00020 0.00002 -0.00003 -0.00060 -0.00936 49 4PY 0.00040 -0.00005 -0.00003 0.00120 0.01863 50 4PZ -0.00038 0.00000 0.00001 -0.00114 -0.01760 51 5PX 0.00132 -0.00028 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-0.21608 0.00460 0.00175 -0.15611 0.02012 92 4PX -0.01207 0.00339 -0.00808 -0.02045 0.02259 93 4PY 0.02415 -0.00633 -0.00472 0.04066 -0.04499 94 4PZ -0.02236 -0.00618 0.00024 -0.03807 0.04238 95 5PX 0.01243 -0.00138 0.00293 0.02984 -0.04488 96 5PY -0.02486 0.00301 0.00220 -0.05957 0.08913 97 5PZ 0.02296 0.00147 -0.00021 0.05538 -0.08390 98 6PX -0.01203 -0.02710 0.07988 0.03817 -0.00178 99 6PY 0.02618 0.05197 0.04288 -0.07588 0.00447 100 6PZ -0.01951 0.06669 0.00164 0.07086 -0.00245 101 7D 0 0.00885 0.05629 0.00107 0.03062 0.00346 102 7D+1 0.03038 0.00250 0.03769 0.09899 0.00016 103 7D-1 -0.06078 -0.00680 0.02104 -0.19682 0.00093 104 7D+2 -0.02461 0.02090 0.04237 -0.07841 0.00199 105 7D-2 -0.03279 0.02996 -0.02944 -0.10553 0.00261 106 8D 0 0.00395 0.01447 0.00017 0.00869 0.00182 107 8D+1 0.01369 0.00043 0.00940 0.02837 0.00240 108 8D-1 -0.02745 -0.00166 0.00515 -0.05651 -0.00436 109 8D+2 -0.01114 0.00527 0.01100 -0.02259 -0.00123 110 8D-2 -0.01482 0.00736 -0.00750 -0.03035 -0.00164 111 6 Cu 1S 0.00052 0.00004 0.00002 -0.00151 -0.00970 112 2S 0.00633 -0.00469 0.00053 0.02061 0.11699 113 3S 0.06755 0.00696 -0.00125 -0.00104 0.06270 114 4PX 0.00049 0.00015 -0.00026 0.00211 0.01475 115 4PY -0.00027 -0.00063 -0.00001 -0.00176 -0.01890 116 4PZ -0.00179 0.00125 -0.00017 -0.00543 -0.01225 117 5PX -0.00686 0.00173 0.00070 0.00158 -0.01548 118 5PY 0.00661 -0.00121 0.00093 -0.00507 0.01967 119 5PZ 0.01422 -0.00403 0.00077 0.01053 0.01322 120 6PX -0.00026 0.00721 -0.00880 -0.00743 -0.00415 121 6PY -0.00714 -0.01651 -0.00267 0.01527 0.00120 122 6PZ 0.02677 0.01044 -0.00280 -0.01602 0.01769 123 7D 0 0.00264 -0.00275 0.00062 0.00708 -0.02174 124 7D+1 -0.00089 -0.00122 0.00116 -0.00539 -0.04940 125 7D-1 -0.00003 0.00333 -0.00013 0.00354 0.06474 126 7D+2 -0.00014 0.00039 0.00047 -0.00108 -0.01684 127 7D-2 -0.00052 -0.00064 -0.00022 -0.00482 -0.07134 128 8D 0 0.00047 -0.00210 0.00043 0.00182 -0.00693 129 8D+1 -0.00064 -0.00026 0.00035 -0.00160 -0.01682 130 8D-1 0.00060 0.00149 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-0.00008 -0.00031 0.00066 0.00285 0.00523 151 8D+1 0.00054 0.00042 0.00019 0.00488 0.02787 152 8D-1 0.00036 -0.00020 -0.00023 0.00126 0.02952 153 8D+2 -0.00037 0.00032 -0.00008 0.00207 0.00219 154 8D-2 0.00047 -0.00031 -0.00004 0.00082 0.02476 155 8 Cu 1S 0.00057 0.00005 0.00000 -0.00153 -0.00970 156 2S 0.00632 0.00094 -0.00403 0.02060 0.11680 157 3S 0.06698 -0.00326 0.00802 0.00029 0.06203 158 4PX -0.00184 -0.00013 0.00079 -0.00609 -0.01996 159 4PY 0.00013 0.00011 -0.00075 -0.00033 -0.01270 160 4PZ -0.00007 -0.00041 0.00058 0.00046 0.01269 161 5PX 0.01668 0.00123 -0.00373 0.00854 0.02101 162 5PY 0.00246 0.00102 0.00000 -0.00611 0.01306 163 5PZ -0.00273 0.00062 0.00064 0.00575 -0.01308 164 6PX 0.02291 -0.00138 0.00425 -0.00912 0.01803 165 6PY -0.01083 -0.00113 -0.01684 0.01558 -0.00259 166 6PZ 0.00902 -0.01056 0.01144 -0.01476 0.00156 167 7D 0 -0.00132 0.00083 0.00043 -0.00512 -0.01844 168 7D+1 0.00058 0.00154 -0.00262 -0.00170 -0.06864 169 7D-1 -0.00067 -0.00033 0.00095 -0.00354 -0.03887 170 7D+2 0.00218 0.00022 0.00016 0.00861 0.03241 171 7D-2 -0.00075 -0.00068 0.00317 0.00126 0.06875 172 8D 0 -0.00048 0.00010 0.00058 -0.00145 -0.00641 173 8D+1 -0.00039 0.00069 -0.00135 -0.00074 -0.02305 174 8D-1 -0.00029 -0.00026 0.00072 -0.00145 -0.01303 175 8D+2 0.00082 0.00037 -0.00064 0.00240 0.01128 176 8D-2 0.00037 -0.00043 0.00160 0.00064 0.02303 177 9 C 1S -0.16237 0.00183 0.00072 -0.08916 0.03122 178 2S 0.38700 -0.00316 -0.00125 0.16627 -0.07234 179 3S 0.28536 -0.00624 -0.00244 0.26768 -0.07187 180 4PX 0.00879 -0.11833 0.36086 -0.17084 0.03757 181 4PY -0.01834 0.21667 0.18179 0.35202 -0.07581 182 4PZ 0.01563 0.32011 0.01043 -0.30831 0.06925 183 5PX -0.02568 -0.01919 0.05651 -0.00558 0.00739 184 5PY 0.05168 0.03506 0.02889 0.01249 -0.01471 185 5PZ -0.04733 0.04950 0.00123 -0.00925 0.01399 186 10 O 1S 0.12634 0.00083 0.00033 -0.02963 -0.00205 187 2S -0.28581 -0.00149 -0.00059 0.04870 0.01172 188 3S -0.37912 -0.00425 -0.00168 0.16870 -0.01711 189 4PX -0.15135 -0.19251 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14 7D+1 -0.10553 -0.02949 -0.00546 0.01590 0.02099 15 7D-1 -0.11529 -0.00701 0.08065 0.04618 -0.01335 16 7D+2 0.00196 -0.02236 -0.09049 -0.05880 -0.07279 17 7D-2 -0.09602 -0.02640 -0.07953 0.05523 0.06230 18 8D 0 -0.00927 0.00935 0.01662 -0.01198 -0.02229 19 8D+1 -0.04019 -0.01105 -0.00119 0.00714 0.00812 20 8D-1 -0.04375 -0.00397 0.03003 0.01441 -0.00620 21 8D+2 -0.00126 -0.00771 -0.03262 -0.01993 -0.02568 22 8D-2 -0.03622 -0.00847 -0.03076 0.01793 0.02200 23 2 Cu 1S -0.00018 0.00037 0.00210 -0.00082 -0.00204 24 2S -0.05875 0.06866 0.02962 -0.00832 -0.03155 25 3S -0.14542 0.17756 0.08262 -0.22485 -0.09990 26 4PX -0.00235 0.00327 -0.00212 -0.01919 0.00017 27 4PY 0.00318 0.01806 0.00223 0.00826 -0.00505 28 4PZ 0.01865 0.00069 -0.00582 -0.00686 0.00138 29 5PX 0.04041 -0.04804 0.00168 0.04287 0.00272 30 5PY 0.03492 -0.03513 -0.02499 0.03006 0.02695 31 5PZ -0.02770 0.04104 0.02372 -0.02996 -0.02625 32 6PX 0.03943 -0.04562 0.00142 -0.01672 -0.00287 33 6PY 0.02099 0.04610 -0.00547 0.02098 0.00312 34 6PZ 0.04879 0.01522 -0.00050 -0.01826 -0.00694 35 7D 0 -0.18602 -0.09364 0.07312 0.14173 0.04916 36 7D+1 0.07525 0.04033 0.04229 0.05250 -0.02314 37 7D-1 0.04252 -0.04100 -0.06963 -0.03259 0.05820 38 7D+2 -0.03066 -0.13826 -0.00675 -0.26569 0.04634 39 7D-2 0.05280 0.07227 -0.03063 -0.03975 0.04189 40 8D 0 -0.06289 -0.03279 0.02544 0.04761 0.01706 41 8D+1 0.02695 0.01195 0.01520 0.02002 -0.00882 42 8D-1 0.01521 -0.01487 -0.02442 -0.00836 0.02073 43 8D+2 -0.01170 -0.04582 -0.00235 -0.08931 0.01640 44 8D-2 0.01651 0.02624 -0.01163 -0.01573 0.01485 45 3 Cu 1S -0.00002 0.00001 0.00003 0.00561 0.00041 46 2S -0.00036 -0.00079 -0.00158 -0.04281 -0.00433 47 3S -0.00163 -0.00126 -0.00130 0.11501 0.00678 48 4PX 0.00165 -0.00185 -0.00252 0.00474 0.00311 49 4PY 0.00176 0.00061 0.00099 -0.01001 0.00176 50 4PZ 0.00106 0.00187 0.00295 0.00917 0.00224 51 5PX 0.00328 -0.00376 0.01234 -0.00086 -0.01295 52 5PY 0.00395 0.00165 -0.00525 0.00461 -0.01160 53 5PZ 0.00192 0.00305 -0.01365 -0.00270 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-0.03459 -0.00936 74 5PY 0.02679 0.06466 0.03741 0.04524 0.01440 75 5PZ 0.01242 0.03144 -0.01788 0.02487 -0.00317 76 6PX 0.04969 -0.02249 -0.00054 -0.00770 -0.00500 77 6PY 0.03062 -0.02248 0.00541 0.01925 0.00064 78 6PZ 0.03125 0.05887 -0.00433 -0.02459 -0.00389 79 7D 0 0.03711 0.07897 -0.01245 -0.19771 -0.00718 80 7D+1 -0.01124 -0.04127 -0.06440 0.16788 0.03799 81 7D-1 0.05766 0.01932 0.09287 -0.15918 0.03182 82 7D+2 -0.21562 0.10764 0.01433 -0.02884 0.07293 83 7D-2 0.10413 0.01248 0.05240 0.03488 -0.01957 84 8D 0 0.01258 0.02694 -0.00502 -0.06481 -0.00252 85 8D+1 -0.00336 -0.01213 -0.02282 0.05740 0.01270 86 8D-1 0.01873 0.00439 0.03342 -0.05477 0.01115 87 8D+2 -0.07345 0.03714 0.00503 -0.00863 0.02577 88 8D-2 0.03631 0.00638 0.01803 0.01514 -0.00667 89 5 Cu 1S 0.00003 0.00001 -0.00002 -0.00382 -0.00028 90 2S -0.00089 -0.00059 0.00048 0.18604 0.01338 91 3S 0.00045 0.00064 0.00250 0.12851 0.01061 92 4PX 0.01029 -0.01203 0.00132 0.00249 -0.00092 93 4PY 0.01179 0.00475 -0.00073 -0.00460 -0.00153 94 4PZ 0.00632 0.01078 -0.00119 0.00480 -0.00021 95 5PX 0.00784 -0.00802 0.01288 -0.05264 -0.01777 96 5PY 0.00690 0.00241 -0.00484 0.10804 -0.00489 97 5PZ 0.00563 0.00846 -0.01513 -0.10023 -0.01493 98 6PX -0.00090 0.00026 0.05940 0.00717 -0.05865 99 6PY -0.00052 0.00018 -0.02783 -0.00121 -0.05917 100 6PZ -0.00060 -0.00040 -0.06115 0.00810 -0.03047 101 7D 0 0.28306 0.56733 -0.22465 -0.06512 0.11660 102 7D+1 0.23219 -0.19068 0.17991 -0.22852 0.60579 103 7D-1 0.04693 -0.11198 -0.36733 0.34150 0.35819 104 7D+2 0.53427 -0.11071 0.27877 0.16535 -0.27046 105 7D-2 -0.18922 0.27528 0.57802 0.17708 0.21440 106 8D 0 0.09246 0.18427 -0.06966 -0.02109 0.03754 107 8D+1 0.07700 -0.06181 0.05660 -0.07378 0.19253 108 8D-1 0.01598 -0.03731 -0.11678 0.11090 0.11384 109 8D+2 0.17359 -0.03539 0.08818 0.05339 -0.08435 110 8D-2 -0.06114 0.09097 0.18395 0.05762 0.06756 111 6 Cu 1S -0.00101 -0.00281 -0.00214 0.00063 -0.00059 112 2S 0.03247 0.09043 -0.03966 0.09335 -0.00447 113 3S 0.01870 0.05373 -0.14231 0.15930 -0.02952 114 4PX 0.00687 0.01136 -0.00415 0.00626 0.00786 115 4PY -0.00387 -0.01586 -0.00100 -0.00661 0.00488 116 4PZ -0.00394 -0.01231 0.00871 -0.01535 0.00286 117 5PX -0.00177 -0.03656 0.01969 -0.03019 -0.01281 118 5PY 0.02102 0.03774 -0.00916 0.03895 -0.01045 119 5PZ 0.01451 0.03484 -0.04198 0.03341 -0.01239 120 6PX -0.00404 0.02400 -0.00755 -0.01296 0.03166 121 6PY -0.01495 -0.01716 -0.00650 0.01349 0.02206 122 6PZ -0.01563 -0.03623 -0.01062 0.00267 0.00294 123 7D 0 -0.00348 0.00286 -0.08837 0.08613 -0.05289 124 7D+1 -0.04293 -0.08844 0.05854 -0.05021 -0.08921 125 7D-1 0.02826 0.11795 0.02329 0.04851 -0.07211 126 7D+2 0.02744 -0.02890 -0.01822 -0.00197 0.08030 127 7D-2 -0.04562 -0.08991 0.02000 -0.01559 -0.01106 128 8D 0 -0.00153 -0.00103 -0.03090 0.02881 -0.01956 129 8D+1 -0.01472 -0.03381 0.02098 -0.01617 -0.03413 130 8D-1 0.01209 0.04474 0.00953 0.01544 -0.02698 131 8D+2 0.00925 -0.01057 -0.00593 -0.00172 0.02816 132 8D-2 -0.01720 -0.03435 0.00761 -0.00723 -0.00326 133 7 Cu 1S 0.00039 0.00013 0.00071 -0.00110 0.00276 134 2S 0.08841 0.01486 0.00935 -0.01290 0.04081 135 3S 0.22715 0.04128 0.02707 -0.23513 0.10008 136 4PX -0.00637 -0.01757 0.00230 0.00153 -0.00347 137 4PY 0.00212 0.00339 0.00100 0.02098 0.00696 138 4PZ -0.01553 0.00917 -0.00346 -0.00297 -0.00506 139 5PX 0.05560 0.00419 0.00561 -0.03753 0.02051 140 5PY 0.02900 0.00602 -0.00509 -0.01923 -0.02078 141 5PZ 0.06820 0.01624 0.00835 -0.04742 0.03377 142 6PX 0.01527 -0.04997 0.00434 -0.00798 0.00089 143 6PY 0.06332 0.02083 -0.00121 0.02735 -0.00173 144 6PZ -0.01423 0.03522 -0.00244 -0.01759 0.00355 145 7D 0 0.09809 -0.19425 0.07233 0.10663 0.01350 146 7D+1 0.03132 0.08649 -0.01910 -0.04563 0.04512 147 7D-1 -0.03478 -0.04721 -0.04175 -0.15829 -0.10496 148 7D+2 0.03553 0.13438 -0.02872 0.14592 -0.00913 149 7D-2 -0.04474 -0.01555 0.02718 -0.17540 -0.08118 150 8D 0 0.03396 -0.06619 0.02519 0.03414 0.00409 151 8D+1 0.01317 0.02999 -0.00675 -0.01885 0.01532 152 8D-1 -0.00966 -0.01557 -0.01452 -0.05396 -0.03745 153 8D+2 0.01219 0.04579 -0.01040 0.04811 -0.00410 154 8D-2 -0.01327 -0.00515 0.00907 -0.05964 -0.02851 155 8 Cu 1S -0.00192 0.00231 0.00158 0.00069 -0.00152 156 2S 0.06199 -0.07493 0.02983 0.09364 -0.02117 157 3S 0.03627 -0.04545 0.10705 0.16256 -0.09111 158 4PX -0.01255 0.01519 -0.00683 -0.01771 0.00532 159 4PY -0.00506 0.00955 0.00581 -0.00218 0.00372 160 4PZ 0.00850 -0.00660 0.00409 0.00180 0.00630 161 5PX 0.03550 -0.04241 0.03503 0.04951 -0.03018 162 5PY 0.02395 -0.01501 -0.00804 0.02475 -0.00827 163 5PZ -0.01013 0.02678 -0.01127 -0.02337 -0.01023 164 6PX -0.03129 0.03604 0.00718 0.00996 -0.00579 165 6PY -0.01338 -0.00016 0.01795 0.00989 0.02194 166 6PZ -0.00189 -0.01409 0.02164 -0.01312 0.01926 167 7D 0 -0.01274 0.05622 -0.01680 -0.05796 0.05161 168 7D+1 -0.08352 0.06708 -0.05729 0.00018 -0.09807 169 7D-1 -0.02834 0.03250 -0.01672 -0.00156 0.01645 170 7D+2 0.06845 -0.05989 0.06882 0.09757 -0.04194 171 7D-2 0.05171 -0.09418 -0.09439 0.00654 -0.05302 172 8D 0 -0.00458 0.02040 -0.00669 -0.01923 0.01717 173 8D+1 -0.03099 0.02725 -0.02153 0.00031 -0.03639 174 8D-1 -0.01065 0.01217 -0.00670 -0.00298 0.00650 175 8D+2 0.02497 -0.02172 0.02334 0.03228 -0.01525 176 8D-2 0.02158 -0.03543 -0.03493 0.00234 -0.01995 177 9 C 1S -0.00027 -0.00029 0.00005 -0.00967 -0.00066 178 2S 0.00073 0.00073 -0.00019 0.00891 0.00052 179 3S 0.00029 0.00068 0.00028 0.11961 0.00866 180 4PX 0.01949 -0.02274 -0.00915 -0.01107 0.00822 181 4PY 0.02202 0.00888 0.00416 0.02062 0.01025 182 4PZ 0.01204 0.02048 0.00986 -0.01995 0.00351 183 5PX 0.01838 -0.02094 -0.01075 -0.01196 0.00946 184 5PY 0.02007 0.00781 0.00524 0.02187 0.01213 185 5PZ 0.01166 0.01954 0.01080 -0.02112 0.00384 186 10 O 1S 0.00002 0.00003 -0.00001 0.00235 0.00016 187 2S -0.00011 -0.00012 0.00003 -0.00639 -0.00044 188 3S 0.00025 0.00016 0.00011 -0.01368 -0.00085 189 4PX -0.05801 0.06556 0.02352 0.01333 -0.02180 190 4PY -0.06289 -0.02420 -0.01087 -0.02220 -0.02391 191 4PZ -0.03687 -0.06143 -0.02504 0.02369 -0.01071 192 5PX -0.03499 0.03946 0.01359 0.00809 -0.01262 193 5PY -0.03778 -0.01449 -0.00631 -0.01364 -0.01395 194 5PZ -0.02231 -0.03713 -0.01441 0.01429 -0.00616 46 47 48 49 50 O O O O O EIGENVALUES -- -0.32136 -0.30931 -0.30755 -0.30752 -0.29898 1 1 Cu 1S 0.00272 -0.00318 -0.00241 0.00123 0.00178 2 2S 0.02141 -0.05014 0.03216 -0.01648 0.03068 3 3S 0.05853 -0.15124 -0.04587 0.02382 0.10222 4 4PX -0.00178 -0.00611 0.00259 -0.00762 0.00695 5 4PY 0.00321 0.00877 -0.00059 0.00137 -0.00044 6 4PZ -0.00309 -0.01066 0.00927 -0.00018 0.00262 7 5PX -0.00255 0.03118 0.00733 0.01746 -0.02587 8 5PY -0.02627 -0.00012 -0.01520 0.00404 -0.00818 9 5PZ 0.00276 0.04332 -0.00469 -0.01294 -0.01490 10 6PX -0.02151 0.00118 0.01218 -0.02748 -0.00422 11 6PY 0.01056 0.04564 0.02897 -0.01140 0.02722 12 6PZ -0.03216 -0.00944 0.02838 0.00093 -0.01021 13 7D 0 -0.04724 -0.12578 0.14329 0.02237 0.00857 14 7D+1 -0.08027 -0.09496 0.14719 -0.11597 0.08287 15 7D-1 -0.04133 0.09289 -0.04221 0.01231 0.03146 16 7D+2 -0.04478 -0.11396 0.03865 -0.06331 0.19484 17 7D-2 -0.02651 0.09838 -0.01133 0.04574 -0.00109 18 8D 0 -0.01712 -0.04287 0.04880 0.00843 0.00220 19 8D+1 -0.03072 -0.03382 0.05325 -0.04158 0.02814 20 8D-1 -0.01350 0.03204 -0.01441 0.00334 0.01272 21 8D+2 -0.01467 -0.03784 0.01071 -0.02031 0.06599 22 8D-2 -0.00928 0.03325 -0.00171 0.01589 0.00107 23 2 Cu 1S -0.00056 0.00011 0.00164 0.00106 -0.00261 24 2S 0.03451 -0.06644 0.07492 0.05052 -0.03984 25 3S -0.00592 0.00510 0.22154 0.14440 -0.07826 26 4PX 0.00932 -0.00374 0.00780 0.00566 -0.00325 27 4PY -0.00937 0.00296 -0.00589 0.01430 0.00020 28 4PZ 0.00897 -0.00198 -0.01110 0.01169 -0.00307 29 5PX -0.00544 0.02125 -0.06865 -0.04606 0.01575 30 5PY -0.01227 0.00356 0.00076 -0.03740 -0.00198 31 5PZ 0.01178 -0.00561 0.03551 -0.01598 -0.00538 32 6PX 0.01834 0.03151 0.00006 0.00032 0.00875 33 6PY -0.03943 -0.01828 -0.04987 0.01283 -0.03880 34 6PZ 0.03754 0.01931 0.00772 0.05075 -0.02536 35 7D 0 -0.12373 -0.08802 0.09000 -0.12247 0.20383 36 7D+1 0.17338 -0.07840 -0.20049 0.28274 -0.04630 37 7D-1 0.06494 -0.35061 0.19176 0.13129 -0.00017 38 7D+2 0.20587 0.11964 0.04357 -0.05947 0.07017 39 7D-2 -0.18739 0.08011 -0.16340 0.29404 0.20956 40 8D 0 -0.04161 -0.03096 0.02844 -0.03953 0.06793 41 8D+1 0.05895 -0.02580 -0.06881 0.09411 -0.01563 42 8D-1 0.02026 -0.11752 0.06356 0.04341 -0.00162 43 8D+2 0.06913 0.04268 0.01487 -0.01832 0.02370 44 8D-2 -0.06374 0.02626 -0.05349 0.09969 0.07100 45 3 Cu 1S 0.00021 0.00233 0.00006 -0.00005 0.00002 46 2S 0.11648 -0.03641 -0.00066 0.00014 0.00040 47 3S 0.14693 0.08199 0.00241 -0.00239 0.00139 48 4PX -0.00880 0.00195 -0.00443 -0.00273 0.01022 49 4PY 0.01756 -0.00369 -0.00326 0.00252 0.00648 50 4PZ -0.01648 0.00364 -0.00095 0.00411 0.00133 51 5PX 0.02910 0.00150 -0.01215 -0.00772 -0.02733 52 5PY -0.05785 -0.00240 -0.00897 0.00730 -0.01755 53 5PZ 0.05445 0.00273 -0.00260 0.01103 -0.00339 54 6PX -0.01143 -0.00135 0.02149 0.01343 0.05291 55 6PY 0.02279 0.00111 0.01532 -0.01217 0.03319 56 6PZ -0.02122 -0.00228 0.00475 -0.02012 0.00718 57 7D 0 0.02129 -0.00096 0.02909 -0.05522 -0.03746 58 7D+1 0.06763 -0.00153 0.08898 -0.01771 -0.15270 59 7D-1 -0.13464 -0.00142 0.04999 0.03813 -0.08167 60 7D+2 -0.05359 -0.00123 0.03124 -0.02654 -0.11117 61 7D-2 -0.07160 -0.00130 -0.02459 -0.08478 0.08026 62 8D 0 0.00807 -0.00020 0.01011 -0.01804 -0.01395 63 8D+1 0.02562 -0.00014 0.03103 -0.00664 -0.05581 64 8D-1 -0.05097 -0.00128 0.01762 0.01339 -0.03057 65 8D+2 -0.02027 -0.00072 0.00966 -0.00933 -0.03704 66 8D-2 -0.02709 -0.00089 -0.00808 -0.02971 0.02794 67 4 Cu 1S -0.00060 0.00009 0.00010 -0.00197 0.00012 68 2S 0.03298 -0.06675 0.00287 -0.08980 0.00200 69 3S -0.00892 0.00387 0.01280 -0.26368 0.00293 70 4PX 0.00352 -0.00010 -0.01830 0.00400 -0.00378 71 4PY -0.00862 0.00227 -0.01181 -0.00593 -0.00259 72 4PZ 0.01328 -0.00468 -0.00288 -0.00756 -0.00052 73 5PX 0.00921 -0.01066 0.03923 -0.03734 -0.00855 74 5PY -0.01400 0.00948 0.02333 0.04243 -0.00608 75 5PZ 0.00095 0.01753 0.00359 0.06638 -0.00195 76 6PX 0.02045 0.00428 -0.04287 -0.02571 -0.08023 77 6PY -0.04013 -0.01363 -0.03181 0.03794 -0.05347 78 6PZ 0.03648 0.03894 -0.00610 -0.01765 -0.01438 79 7D 0 0.32797 0.08588 -0.09605 0.02983 0.10124 80 7D+1 -0.03717 -0.08803 -0.28906 0.00461 0.33327 81 7D-1 -0.06170 0.00426 -0.24326 -0.11162 0.15565 82 7D+2 0.04269 -0.14390 0.32215 -0.07534 0.28641 83 7D-2 0.11750 -0.35017 -0.07036 -0.18821 -0.17457 84 8D 0 0.11091 0.03155 -0.03246 0.01024 0.03414 85 8D+1 -0.01205 -0.03068 -0.09816 0.00287 0.11233 86 8D-1 -0.02201 0.00197 -0.08185 -0.03914 0.05271 87 8D+2 0.01378 -0.04806 0.10600 -0.02495 0.09528 88 8D-2 0.03855 -0.11744 -0.02266 -0.06126 -0.05826 89 5 Cu 1S -0.00024 0.00149 0.00001 0.00000 0.00000 90 2S 0.03902 0.08101 0.00216 -0.00197 0.00026 91 3S -0.23360 0.31940 0.00560 -0.00372 0.00034 92 4PX -0.01197 0.00426 -0.00243 -0.00147 0.00043 93 4PY 0.02386 -0.00835 -0.00184 0.00133 0.00021 94 4PZ -0.02214 0.00800 -0.00049 0.00233 0.00001 95 5PX 0.06737 -0.05693 -0.03170 -0.01852 -0.01215 96 5PY -0.13412 0.11468 -0.02020 0.01659 -0.00734 97 5PZ 0.12530 -0.10696 -0.00869 0.02918 -0.00157 98 6PX 0.01356 0.01081 -0.00304 -0.00148 0.02755 99 6PY -0.02735 -0.02202 -0.00306 0.00188 0.01703 100 6PZ 0.02455 0.01945 -0.00039 0.00190 0.00323 101 7D 0 -0.05196 -0.01856 0.03957 -0.28412 -0.02059 102 7D+1 -0.15136 -0.04326 0.10282 0.06389 -0.01329 103 7D-1 0.31232 0.08225 0.02361 0.02441 -0.05830 104 7D+2 0.12394 0.02671 0.25379 -0.01511 0.24228 105 7D-2 0.17460 0.04467 -0.11456 -0.06844 -0.08911 106 8D 0 -0.01743 -0.00588 0.01325 -0.09179 -0.00596 107 8D+1 -0.05097 -0.01374 0.03466 0.02001 -0.00306 108 8D-1 0.10487 0.02608 0.00857 0.00858 -0.01707 109 8D+2 0.04160 0.00846 0.08169 -0.00540 0.07387 110 8D-2 0.05845 0.01418 -0.03709 -0.02361 -0.02740 111 6 Cu 1S 0.00258 -0.00326 0.00007 -0.00261 0.00010 112 2S 0.02210 -0.04831 -0.00259 0.03783 0.00146 113 3S 0.05463 -0.15212 0.00000 -0.04790 0.00496 114 4PX -0.00151 -0.00564 -0.00604 0.00558 0.00648 115 4PY 0.00313 0.01083 -0.00313 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3S -0.00430 0.01405 -0.23513 0.12133 0.07357 136 4PX 0.00298 -0.00066 -0.00340 -0.01819 -0.00192 137 4PY -0.01356 0.00455 0.00795 -0.00056 -0.00328 138 4PZ 0.00767 -0.00189 0.01076 0.00875 0.00237 139 5PX 0.01069 -0.00878 -0.02097 0.05217 0.00151 140 5PY -0.00138 -0.01477 -0.06016 0.02367 0.01335 141 5PZ 0.01506 -0.00899 -0.05052 -0.00369 0.00882 142 6PX 0.02018 0.00294 -0.04082 -0.02831 -0.04363 143 6PY -0.03810 -0.03969 0.01954 -0.00105 0.01940 144 6PZ 0.03770 0.01466 -0.01877 0.04493 0.02489 145 7D 0 -0.19879 0.05717 -0.07371 -0.24552 -0.22988 146 7D+1 -0.11664 0.35313 0.20274 -0.03714 0.02839 147 7D-1 -0.03662 -0.00797 -0.20892 -0.17151 0.00175 148 7D+2 -0.26176 -0.12272 0.04156 0.26165 -0.09474 149 7D-2 0.05421 0.08670 0.09824 0.24338 -0.21378 150 8D 0 -0.06677 0.01772 -0.02433 -0.08038 -0.07717 151 8D+1 -0.03827 0.11858 0.06591 -0.01238 0.00790 152 8D-1 -0.01354 -0.00194 -0.07169 -0.05723 0.00098 153 8D+2 -0.08893 -0.04335 0.01333 0.08724 -0.03177 154 8D-2 0.01779 0.03045 0.03234 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-0.00124 -0.02970 0.04659 0.00846 0.03400 177 9 C 1S -0.00009 -0.01943 0.00004 -0.00003 -0.00008 178 2S 0.00014 0.04004 -0.00008 0.00006 0.00014 179 3S 0.00057 0.06905 -0.00016 0.00000 0.00039 180 4PX -0.00560 -0.02014 -0.00007 -0.00933 0.00017 181 4PY 0.00707 0.04057 -0.00007 -0.00229 0.00723 182 4PZ 0.01036 -0.03748 0.00016 0.00244 0.00747 183 5PX -0.00154 -0.00164 -0.00004 -0.00605 0.00004 184 5PY 0.00209 0.00305 -0.00001 -0.00156 0.00451 185 5PZ 0.00307 -0.00332 0.00004 0.00162 0.00461 186 10 O 1S 0.00002 0.00397 -0.00001 0.00001 0.00001 187 2S -0.00003 -0.01201 0.00003 -0.00002 -0.00003 188 3S -0.00013 -0.01392 0.00003 -0.00002 0.00003 189 4PX 0.00922 0.01597 0.00015 0.01679 -0.00037 190 4PY -0.01164 -0.03195 0.00004 0.00414 -0.01274 191 4PZ -0.01747 0.03023 -0.00019 -0.00447 -0.01362 192 5PX 0.00510 0.00475 0.00010 0.00999 -0.00020 193 5PY -0.00647 -0.00936 0.00000 0.00248 -0.00751 194 5PZ -0.00967 0.00926 -0.00009 -0.00269 -0.00808 56 57 58 59 60 O O O O O EIGENVALUES -- 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0.04823 -0.01515 0.04765 -0.06823 21 8D+2 -0.01326 0.00996 0.07331 -0.03220 0.01065 22 8D-2 -0.04621 -0.00373 -0.04033 -0.05925 0.10546 23 2 Cu 1S 0.00047 0.00097 -0.00050 0.00080 0.00002 24 2S 0.02679 0.05176 -0.00386 0.00652 0.00012 25 3S 0.03120 0.06355 -0.04422 0.07245 0.00064 26 4PX 0.00258 0.00480 -0.00156 0.00225 -0.00031 27 4PY 0.00316 -0.00064 -0.00514 -0.00287 -0.00889 28 4PZ 0.00247 -0.00227 -0.00503 -0.00354 -0.00930 29 5PX -0.01531 -0.03125 0.01484 -0.02242 0.00176 30 5PY 0.00839 -0.00411 0.02070 0.01519 0.05320 31 5PZ 0.00934 -0.00377 0.02371 0.01338 0.05566 32 6PX 0.02735 0.05047 0.03274 -0.05382 0.00125 33 6PY 0.02299 -0.07018 -0.05422 0.01814 0.04493 34 6PZ 0.07028 0.01862 -0.01019 -0.05395 0.04681 35 7D 0 -0.19592 0.04244 -0.05444 0.15931 -0.14463 36 7D+1 0.11950 0.25031 0.15339 -0.10774 0.17252 37 7D-1 -0.12427 -0.26339 0.15913 -0.26424 0.00132 38 7D+2 -0.07943 0.09481 0.18114 -0.24099 -0.07296 39 7D-2 -0.13957 -0.26821 -0.04219 0.19626 0.17093 40 8D 0 -0.06297 0.01326 -0.01773 0.05165 -0.04672 41 8D+1 0.03817 0.08126 0.04991 -0.03491 0.05639 42 8D-1 -0.04185 -0.08838 0.05221 -0.08672 0.00041 43 8D+2 -0.02539 0.03064 0.05878 -0.07828 -0.02355 44 8D-2 -0.04570 -0.08663 -0.01356 0.06377 0.05584 45 3 Cu 1S 0.00002 0.00000 0.00000 -0.00001 0.00000 46 2S 0.00091 -0.00028 0.00011 -0.00001 -0.00002 47 3S 0.00203 -0.00034 0.00045 -0.00015 -0.00016 48 4PX -0.00438 -0.00901 0.00038 -0.00062 0.00002 49 4PY 0.00553 -0.00560 0.00055 0.00014 0.00000 50 4PZ 0.00802 -0.00107 0.00036 0.00047 -0.00001 51 5PX 0.00874 0.01768 -0.00391 0.00604 0.00006 52 5PY -0.01107 0.01097 -0.00562 -0.00129 0.00003 53 5PZ -0.01537 0.00200 -0.00362 -0.00466 -0.00006 54 6PX 0.01213 0.02526 0.02024 -0.03068 -0.00004 55 6PY -0.01553 0.01577 0.02800 0.00662 0.00004 56 6PZ -0.02256 0.00329 0.01874 0.02314 0.00003 57 7D 0 -0.34011 -0.00369 0.07906 0.08710 0.00007 58 7D+1 0.08904 0.08013 0.09257 -0.04116 -0.00039 59 7D-1 0.01038 -0.00990 0.02730 -0.05700 -0.00075 60 7D+2 -0.03337 0.31387 0.08834 -0.01143 0.00006 61 7D-2 -0.01414 -0.14026 -0.00496 0.10200 0.00063 62 8D 0 -0.11429 -0.00179 0.02556 0.02742 0.00002 63 8D+1 0.03086 0.02528 0.03121 -0.01311 -0.00012 64 8D-1 0.00280 -0.00459 0.00935 -0.01929 -0.00024 65 8D+2 -0.01066 0.10606 0.02790 -0.00292 0.00002 66 8D-2 -0.00293 -0.04692 -0.00086 0.03397 0.00019 67 4 Cu 1S -0.00110 -0.00006 -0.00044 -0.00084 -0.00002 68 2S -0.05717 -0.00381 -0.00347 -0.00676 -0.00012 69 3S -0.07097 -0.00370 -0.03903 -0.07450 -0.00039 70 4PX 0.00239 -0.00355 -0.00572 0.00417 0.01060 71 4PY -0.00196 -0.00266 -0.00458 0.00135 0.00710 72 4PZ -0.00462 -0.00084 -0.00219 -0.00151 0.00193 73 5PX -0.01016 -0.01213 0.02399 -0.02059 -0.06349 74 5PY 0.00791 -0.00695 0.01987 -0.00605 -0.04245 75 5PZ 0.03252 -0.00053 0.01693 0.02013 -0.01145 76 6PX -0.01289 -0.06253 -0.03373 0.02814 -0.05342 77 6PY 0.04733 -0.03928 -0.04186 -0.01699 -0.03574 78 6PZ -0.07737 -0.01453 0.03063 0.07340 -0.00937 79 7D 0 -0.30967 0.00664 0.20417 0.32711 -0.04258 80 7D+1 -0.11822 0.07753 0.03194 -0.12831 -0.11637 81 7D-1 0.35089 0.04350 0.07830 0.02550 -0.11974 82 7D+2 0.09004 0.18938 0.06898 0.12712 0.22675 83 7D-2 0.11449 -0.08714 0.12803 0.28081 -0.06662 84 8D 0 -0.10072 0.00226 0.06626 0.10608 -0.01396 85 8D+1 -0.03838 0.02541 0.01043 -0.04176 -0.03824 86 8D-1 0.11478 0.01452 0.02570 0.00860 -0.03916 87 8D+2 0.03057 0.06050 0.02245 0.04172 0.07357 88 8D-2 0.03998 -0.02774 0.04200 0.09194 -0.02153 89 5 Cu 1S 0.00004 -0.00002 0.00003 0.00001 0.00000 90 2S -0.00088 0.00029 -0.00080 -0.00057 -0.00003 91 3S 0.00038 0.00034 -0.00058 0.00005 -0.00001 92 4PX -0.00898 -0.01881 0.01261 -0.01920 -0.00004 93 4PY 0.01108 -0.01154 0.01739 0.00404 0.00000 94 4PZ 0.01692 -0.00221 0.01174 0.01463 0.00000 95 5PX 0.03634 0.07532 -0.07145 0.10890 0.00011 96 5PY -0.04527 0.04671 -0.09912 -0.02318 0.00003 97 5PZ -0.06753 0.00888 -0.06623 -0.08245 -0.00001 98 6PX 0.02224 0.04684 0.00781 -0.01181 -0.00039 99 6PY -0.02824 0.02932 0.01110 0.00262 0.00005 100 6PZ -0.04240 0.00614 0.00705 0.00876 0.00028 101 7D 0 -0.17725 0.04154 -0.12485 -0.14692 -0.00116 102 7D+1 -0.02870 0.17564 -0.13268 0.06881 0.00028 103 7D-1 0.06028 0.09740 -0.03815 0.08053 -0.00063 104 7D+2 -0.06190 0.11605 -0.14533 0.02642 0.00121 105 7D-2 -0.15404 -0.09081 0.01513 -0.15142 0.00032 106 8D 0 -0.05690 0.01211 -0.03890 -0.04618 -0.00033 107 8D+1 -0.00709 0.05267 -0.04061 0.02154 0.00008 108 8D-1 0.01780 0.02846 -0.01161 0.02466 -0.00017 109 8D+2 -0.01869 0.03862 -0.04571 0.00864 0.00035 110 8D-2 -0.04549 -0.02871 0.00511 -0.04675 0.00009 111 6 Cu 1S -0.00259 -0.00015 -0.00076 -0.00140 0.00001 112 2S 0.05332 0.00381 -0.00413 -0.00779 -0.00038 113 3S -0.00212 0.00112 -0.04716 -0.08800 0.00053 114 4PX 0.00343 -0.00182 -0.00134 -0.00087 0.00303 115 4PY -0.00292 -0.00163 0.00093 0.00287 0.00206 116 4PZ -0.00757 -0.00080 -0.00169 -0.00287 0.00055 117 5PX -0.00543 -0.00019 0.02335 0.00019 0.00207 118 5PY 0.00572 0.00094 0.00757 -0.01484 0.00157 119 5PZ 0.00848 0.00058 -0.00954 -0.02557 0.00034 120 6PX 0.00103 -0.04181 -0.01535 0.02615 0.01160 121 6PY 0.01699 -0.02719 -0.02782 -0.01536 0.00769 122 6PZ -0.05006 -0.00975 0.00069 0.01077 0.00204 123 7D 0 -0.03003 0.03330 0.05732 0.23707 0.09435 124 7D+1 -0.06582 0.11695 -0.21845 -0.01826 0.31323 125 7D-1 0.10973 0.07700 -0.10707 0.09570 0.18690 126 7D+2 0.03065 0.03751 0.07626 -0.08126 0.10971 127 7D-2 0.03380 -0.03568 -0.06321 -0.10688 -0.10190 128 8D 0 -0.01089 0.01148 0.01909 0.07835 0.03164 129 8D+1 -0.02337 0.04032 -0.07227 -0.00702 0.10500 130 8D-1 0.03932 0.02676 -0.03475 0.03191 0.06271 131 8D+2 0.01121 0.01226 0.02404 -0.02732 0.03650 132 8D-2 0.01245 -0.01199 -0.02192 -0.03781 -0.03405 133 7 Cu 1S 0.00058 -0.00090 0.00095 0.00003 0.00000 134 2S 0.03174 -0.04827 0.00765 0.00029 -0.00013 135 3S 0.03863 -0.06011 0.08551 0.00350 -0.00015 136 4PX -0.00445 -0.00003 -0.00143 0.00672 -0.01013 137 4PY -0.00202 0.00419 -0.00220 -0.00129 0.00177 138 4PZ 0.00102 0.00337 -0.00089 -0.00492 0.00728 139 5PX -0.00244 -0.01616 0.00931 -0.02933 0.06100 140 5PY 0.01878 -0.02537 0.02449 0.00609 -0.01067 141 5PZ 0.01140 -0.00321 0.00452 0.02167 -0.04383 142 6PX -0.04194 -0.04585 -0.00946 0.04116 0.05202 143 6PY -0.03579 0.07365 0.08111 -0.00438 -0.00913 144 6PZ 0.05922 -0.01134 -0.02961 -0.03086 -0.03740 145 7D 0 -0.19870 -0.01363 0.29702 0.02269 0.18535 146 7D+1 0.12310 -0.04441 0.31015 -0.00401 -0.05659 147 7D-1 -0.15612 0.29847 -0.09725 -0.06526 0.11623 148 7D+2 -0.12618 0.32204 0.25874 0.03360 -0.15161 149 7D-2 -0.14063 0.03919 -0.13118 0.08158 -0.10235 150 8D 0 -0.06330 -0.00460 0.09668 0.00726 0.06009 151 8D+1 0.04128 -0.01701 0.10160 -0.00122 -0.01828 152 8D-1 -0.05097 0.09792 -0.03200 -0.02131 0.03808 153 8D+2 -0.04192 0.10487 0.08369 0.01101 -0.04935 154 8D-2 -0.04585 0.01269 -0.04268 0.02658 -0.03371 155 8 Cu 1S 0.00116 0.00231 -0.00086 0.00133 -0.00001 156 2S -0.02468 -0.04823 -0.00474 0.00703 0.00028 157 3S -0.00027 0.00113 -0.05370 0.08354 -0.00053 158 4PX 0.00402 0.00780 -0.00108 0.00172 -0.00009 159 4PY 0.00192 0.00002 0.00108 -0.00295 -0.00258 160 4PZ 0.00109 -0.00176 -0.00212 0.00208 -0.00267 161 5PX -0.00507 -0.00980 -0.01599 0.02596 -0.00011 162 5PY -0.00177 -0.00261 0.01345 0.01084 -0.00202 163 5PZ 0.00130 0.00313 0.01678 0.00733 -0.00177 164 6PX 0.02010 0.03777 -0.00121 0.00086 -0.00029 165 6PY 0.02119 -0.03623 -0.03109 0.00820 -0.00974 166 6PZ 0.04202 0.00156 -0.00708 -0.03091 -0.01023 167 7D 0 -0.06642 0.05389 -0.06381 0.12442 -0.22575 168 7D+1 -0.04739 0.09929 -0.15565 -0.11071 -0.22382 169 7D-1 -0.03131 -0.07913 -0.05936 0.10529 0.01346 170 7D+2 -0.06543 -0.01330 0.12053 -0.19755 -0.14276 171 7D-2 -0.10197 -0.02737 -0.16649 -0.07203 -0.20738 172 8D 0 -0.02231 0.01839 -0.02183 0.04130 -0.07543 173 8D+1 -0.01620 0.03511 -0.05157 -0.03529 -0.07512 174 8D-1 -0.01150 -0.02863 -0.02087 0.03683 0.00451 175 8D+2 -0.02240 -0.00506 0.04003 -0.06612 -0.04773 176 8D-2 -0.03582 -0.01011 -0.05392 -0.02441 -0.06962 177 9 C 1S 0.00028 -0.00004 0.00008 0.00008 -0.00001 178 2S -0.00043 0.00003 -0.00007 -0.00013 0.00002 179 3S -0.00213 0.00052 -0.00094 -0.00079 0.00005 180 4PX 0.01381 0.02841 -0.01837 0.02800 0.00006 181 4PY -0.01726 0.01735 -0.02508 -0.00593 0.00003 182 4PZ -0.02517 0.00343 -0.01720 -0.02134 -0.00004 183 5PX -0.00121 -0.00263 -0.00129 0.00239 0.00001 184 5PY 0.00142 -0.00155 -0.00219 -0.00063 0.00001 185 5PZ 0.00262 -0.00039 -0.00115 -0.00172 -0.00001 186 10 O 1S -0.00005 0.00000 -0.00001 -0.00002 0.00000 187 2S 0.00009 0.00001 0.00003 0.00004 0.00000 188 3S 0.00040 -0.00010 0.00005 0.00010 0.00000 189 4PX -0.02206 -0.04602 0.02805 -0.04255 -0.00007 190 4PY 0.02735 -0.02795 0.03804 0.00887 -0.00003 191 4PZ 0.04119 -0.00564 0.02634 0.03262 0.00003 192 5PX -0.01053 -0.02196 0.01479 -0.02251 -0.00003 193 5PY 0.01308 -0.01339 0.02012 0.00471 -0.00002 194 5PZ 0.01958 -0.00266 0.01388 0.01725 0.00001 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26524 -0.26522 -0.26392 -0.26257 -0.26250 1 1 Cu 1S 0.00086 0.00000 -0.00124 -0.00040 -0.00288 2 2S -0.01816 -0.00011 0.04223 0.00637 0.04680 3 3S 0.02895 0.00001 0.01584 -0.01185 -0.08357 4 4PX -0.00125 0.00112 0.00328 -0.00026 0.00350 5 4PY -0.00183 -0.00021 0.00214 0.00053 0.00299 6 4PZ -0.00128 -0.00083 0.00404 0.00105 0.00392 7 5PX -0.00699 0.02113 -0.00779 0.01263 0.00488 8 5PY 0.01802 -0.00355 -0.01064 0.00068 0.01990 9 5PZ -0.01389 -0.01524 -0.00822 -0.00769 0.00536 10 6PX 0.00262 0.00437 -0.00626 0.02883 -0.01369 11 6PY 0.01050 -0.00055 -0.00756 -0.00465 0.00579 12 6PZ 0.00097 -0.00330 -0.00700 -0.02348 -0.01157 13 7D 0 -0.16038 -0.24183 -0.00114 0.05467 -0.04562 14 7D+1 -0.32203 0.09623 -0.37200 -0.08834 -0.03890 15 7D-1 0.39801 -0.00517 0.09512 -0.33389 -0.05077 16 7D+2 0.07314 0.12623 0.25893 0.12073 -0.08255 17 7D-2 0.22642 -0.05782 -0.07305 0.44602 -0.11553 18 8D 0 -0.05311 -0.07973 0.00007 0.01845 -0.01401 19 8D+1 -0.10578 0.03190 -0.12172 -0.02904 -0.01297 20 8D-1 0.13176 -0.00070 0.03095 -0.10904 -0.01806 21 8D+2 0.02369 0.04112 0.08539 0.03926 -0.02571 22 8D-2 0.07527 -0.02041 -0.02427 0.14532 -0.03927 23 2 Cu 1S 0.00065 -0.00108 0.00061 0.00180 -0.00140 24 2S 0.00138 -0.00214 0.02452 0.00514 -0.00467 25 3S 0.02475 -0.04147 0.00928 0.07667 -0.05830 26 4PX -0.00570 0.01000 -0.01224 0.00550 -0.00441 27 4PY 0.01425 -0.00044 0.00483 -0.01068 0.00219 28 4PZ 0.00719 0.01223 -0.00474 0.00413 -0.00967 29 5PX 0.02545 -0.04492 0.05193 -0.03689 0.02915 30 5PY -0.06767 0.00966 -0.02830 0.04441 -0.00406 31 5PZ -0.02759 -0.06127 0.02759 -0.01186 0.04142 32 6PX 0.00660 -0.01131 0.02227 -0.03716 0.02878 33 6PY -0.02086 0.01174 -0.01811 0.02134 -0.00761 34 6PZ -0.00035 -0.02285 0.01675 -0.01051 0.01773 35 7D 0 0.01545 0.09077 0.00108 0.11667 -0.00375 36 7D+1 -0.07022 0.00429 -0.06138 0.00505 0.02551 37 7D-1 0.04373 -0.07279 0.04618 -0.17713 0.13395 38 7D+2 0.09267 -0.09732 0.00453 -0.11753 0.14286 39 7D-2 -0.03118 -0.05825 0.06604 0.02251 0.00620 40 8D 0 0.00584 0.02924 -0.00015 0.03662 -0.00254 41 8D+1 -0.02138 0.00251 -0.01888 0.00185 0.00921 42 8D-1 0.01327 -0.02224 0.01300 -0.05579 0.04222 43 8D+2 0.02989 -0.03034 0.00207 -0.03837 0.04527 44 8D-2 -0.00856 -0.01832 0.02023 0.00820 0.00244 45 3 Cu 1S 0.00007 0.00001 0.00313 0.00002 -0.00001 46 2S -0.00109 -0.00009 -0.03423 -0.00052 -0.00032 47 3S 0.00218 0.00023 0.12539 -0.00003 -0.00124 48 4PX 0.00225 -0.00359 0.00159 -0.00312 0.00254 49 4PY 0.00312 0.00065 -0.00328 0.00099 0.00294 50 4PZ 0.00232 0.00261 0.00300 0.00278 0.00180 51 5PX 0.00748 -0.01193 0.01110 -0.00166 0.00126 52 5PY 0.01033 0.00219 -0.02254 0.00058 0.00180 53 5PZ 0.00772 0.00870 0.02103 0.00138 0.00076 54 6PX 0.00765 -0.01264 0.00244 -0.01307 0.01053 55 6PY 0.01114 0.00231 -0.00519 0.00431 0.01248 56 6PZ 0.00773 0.00919 0.00467 0.01139 0.00736 57 7D 0 -0.10615 -0.13697 -0.01581 -0.19245 -0.07153 58 7D+1 -0.06960 0.06337 -0.05431 0.07454 0.03334 59 7D-1 -0.01288 0.04177 0.11105 -0.03050 0.03018 60 7D+2 -0.13646 0.04769 0.04556 0.08363 -0.18824 61 7D-2 0.03208 -0.09635 0.05877 0.00436 0.08932 62 8D 0 -0.03389 -0.04453 -0.00523 -0.06479 -0.02429 63 8D+1 -0.02073 0.02040 -0.01795 0.02506 0.01055 64 8D-1 -0.00353 0.01233 0.03661 -0.00984 0.00988 65 8D+2 -0.04427 0.01613 0.01501 0.02792 -0.06333 66 8D-2 0.01111 -0.02963 0.01937 0.00085 0.02989 67 4 Cu 1S 0.00064 0.00109 0.00062 -0.00211 -0.00086 68 2S 0.00130 0.00202 0.02460 -0.00673 -0.00311 69 3S 0.02388 0.04134 0.00969 -0.08937 -0.03576 70 4PX 0.01169 -0.00818 0.00028 -0.00181 -0.00695 71 4PY 0.01120 0.00031 0.00260 0.01008 -0.00001 72 4PZ -0.00508 -0.01350 -0.01371 -0.01009 -0.00514 73 5PX -0.04903 0.04094 0.00403 -0.00141 0.03043 74 5PY -0.05451 -0.00973 -0.01984 -0.03606 0.00581 75 5PZ 0.02487 0.06401 0.06191 0.05522 0.02760 76 6PX -0.00709 0.01500 0.00512 -0.00381 0.00760 77 6PY -0.01812 -0.01283 -0.01496 -0.01427 0.00017 78 6PZ 0.00922 0.02021 0.02922 0.04932 0.02148 79 7D 0 0.02777 0.07676 -0.05190 0.13463 0.07052 80 7D+1 -0.07757 -0.06589 -0.03316 -0.11556 0.00674 81 7D-1 0.02497 0.11982 0.07794 0.12148 0.07244 82 7D+2 0.09495 -0.00908 0.01492 0.06854 0.08920 83 7D-2 -0.00472 0.04402 0.00659 0.16965 0.03530 84 8D 0 0.00904 0.02363 -0.01519 0.04379 0.02303 85 8D+1 -0.02313 -0.02185 -0.01053 -0.03705 0.00254 86 8D-1 0.00888 0.03751 0.02377 0.03798 0.02349 87 8D+2 0.03021 -0.00343 0.00411 0.02229 0.02659 88 8D-2 -0.00246 0.01325 0.00094 0.05335 0.01166 89 5 Cu 1S -0.00005 -0.00001 -0.00155 0.00002 0.00003 90 2S 0.00027 0.00010 0.01316 0.00003 -0.00017 91 3S -0.00303 -0.00009 -0.14760 0.00026 0.00101 92 4PX -0.00307 0.00500 -0.00005 0.00907 -0.00742 93 4PY -0.00443 -0.00093 0.00000 -0.00296 -0.00865 94 4PZ -0.00310 -0.00365 -0.00006 -0.00797 -0.00528 95 5PX 0.00954 -0.01574 0.01630 -0.05323 0.04311 96 5PY 0.01346 0.00319 -0.03145 0.01754 0.05099 97 5PZ 0.00988 0.01143 0.03012 0.04646 0.03038 98 6PX -0.01796 0.02797 -0.00086 -0.05553 0.04525 99 6PY -0.02597 -0.00491 0.00401 0.01813 0.05298 100 6PZ -0.01752 -0.01980 -0.00170 0.04842 0.03170 101 7D 0 0.05554 0.08598 -0.00869 -0.07386 -0.02268 102 7D+1 0.01070 -0.03605 -0.02344 0.02905 0.02630 103 7D-1 -0.00135 -0.00484 0.04903 -0.01980 0.01736 104 7D+2 0.08478 -0.04041 0.01745 0.03678 -0.07175 105 7D-2 -0.03058 0.03118 0.02747 0.01420 0.03728 106 8D 0 0.01640 0.02552 -0.00258 -0.02057 -0.00664 107 8D+1 0.00290 -0.01067 -0.00692 0.00806 0.00619 108 8D-1 -0.00049 -0.00124 0.01445 -0.00483 0.00433 109 8D+2 0.02517 -0.01208 0.00515 0.00985 -0.01990 110 8D-2 -0.00917 0.00901 0.00809 0.00291 0.01007 111 6 Cu 1S -0.00045 -0.00075 -0.00118 0.00269 0.00111 112 2S 0.00985 0.01633 0.04102 -0.04407 -0.01860 113 3S -0.01402 -0.02410 0.01721 0.07653 0.03057 114 4PX -0.00042 0.00166 0.00306 -0.00331 -0.00061 115 4PY -0.00139 -0.00073 -0.00392 0.00352 0.00203 116 4PZ -0.00115 -0.00156 -0.00224 0.00303 0.00142 117 5PX -0.01539 0.01653 -0.00722 -0.00071 -0.01316 118 5PY -0.01970 -0.00563 0.00836 0.00631 -0.00647 119 5PZ 0.00539 0.01711 0.01086 0.01887 0.00535 120 6PX -0.00489 0.00019 -0.00591 0.02060 -0.02509 121 6PY -0.00192 0.00188 0.00630 -0.00612 -0.02522 122 6PZ 0.00473 0.01013 0.00813 0.00544 -0.00370 123 7D 0 -0.04044 -0.04497 -0.21849 -0.11265 0.10919 124 7D+1 0.05408 0.20767 0.07505 -0.23365 0.40975 125 7D-1 -0.17233 -0.33848 0.10625 -0.01577 0.32440 126 7D+2 -0.32914 -0.04335 0.16466 -0.00267 0.00418 127 7D-2 -0.05237 -0.33909 0.36749 -0.00866 -0.10658 128 8D 0 -0.01399 -0.01506 -0.07227 -0.03518 0.03626 129 8D+1 0.01691 0.06969 0.02487 -0.07763 0.13311 130 8D-1 -0.05794 -0.11162 0.03469 -0.00377 0.10629 131 8D+2 -0.10836 -0.01438 0.05385 -0.00088 0.00198 132 8D-2 -0.01696 -0.11160 0.12025 -0.00294 -0.03507 133 7 Cu 1S -0.00123 -0.00001 0.00065 0.00031 0.00226 134 2S -0.00234 -0.00009 0.02430 0.00065 0.00618 135 3S -0.04756 -0.00038 0.01084 0.01346 0.09603 136 4PX 0.00122 -0.01397 0.00082 0.00623 0.00335 137 4PY -0.01409 0.00238 0.01407 -0.00255 -0.01156 138 4PZ 0.00493 0.01008 -0.00229 -0.00293 0.00916 139 5PX -0.01108 0.06192 0.00210 -0.02957 -0.00507 140 5PY 0.06793 -0.01049 -0.06404 0.01342 0.06209 141 5PZ -0.03094 -0.04478 0.01843 0.01676 -0.03059 142 6PX -0.00925 0.01418 0.00497 -0.00802 0.00281 143 6PY 0.02203 -0.00239 -0.03007 0.00881 0.05374 144 6PZ -0.01820 -0.01029 0.01387 0.00462 -0.01153 145 7D 0 0.06225 0.07333 0.01634 0.07062 0.13226 146 7D+1 0.02963 -0.02346 -0.00507 -0.00425 0.16735 147 7D-1 -0.12038 0.03759 0.07592 -0.04717 -0.15004 148 7D+2 0.04212 -0.05549 0.05606 -0.00314 0.07418 149 7D-2 -0.10001 -0.03101 0.03489 0.03498 -0.12603 150 8D 0 0.01914 0.02377 0.00496 0.02097 0.04269 151 8D+1 0.00830 -0.00788 -0.00043 -0.00088 0.05273 152 8D-1 -0.03817 0.01077 0.02319 -0.01557 -0.04723 153 8D+2 0.01305 -0.01730 0.01638 0.00022 0.02450 154 8D-2 -0.03177 -0.00812 0.01108 0.01149 -0.04029 155 8 Cu 1S -0.00046 0.00075 -0.00117 -0.00230 0.00179 156 2S 0.01009 -0.01617 0.04102 0.03730 -0.02981 157 3S -0.01466 0.02438 0.01761 -0.06630 0.05007 158 4PX -0.00129 0.00208 -0.00388 -0.00386 0.00312 159 4PY -0.00124 0.00005 -0.00270 -0.00162 0.00211 160 4PZ -0.00053 -0.00115 0.00274 0.00244 -0.00113 161 5PX 0.00501 -0.00962 0.01424 -0.01678 0.01226 162 5PY -0.02341 0.00411 0.00464 -0.00540 -0.00906 163 5PZ -0.00892 -0.02209 -0.00452 -0.00687 -0.00770 164 6PX 0.00539 -0.00963 0.01057 0.00154 -0.00234 165 6PY -0.00364 -0.00033 0.00348 -0.00590 -0.02892 166 6PZ -0.00279 -0.00340 -0.00402 -0.02658 -0.01355 167 7D 0 -0.16177 -0.21800 0.12451 0.13161 0.15388 168 7D+1 0.09791 -0.08070 -0.01136 0.31423 0.24191 169 7D-1 -0.23246 0.43092 0.42738 -0.01708 -0.01529 170 7D+2 -0.24027 0.12608 -0.16759 0.06919 0.12200 171 7D-2 -0.01630 0.13353 0.03638 0.14400 0.35334 172 8D 0 -0.05345 -0.07250 0.04116 0.04426 0.04978 173 8D+1 0.03137 -0.02749 -0.00388 0.10277 0.07849 174 8D-1 -0.07657 0.14202 0.13987 -0.00587 -0.00479 175 8D+2 -0.07992 0.04212 -0.05550 0.02095 0.04142 176 8D-2 -0.00651 0.04365 0.01214 0.04657 0.11536 177 9 C 1S -0.00013 -0.00002 -0.00322 -0.00005 -0.00006 178 2S 0.00023 -0.00003 0.00956 0.00012 0.00013 179 3S 0.00101 0.00040 0.00837 0.00049 0.00058 180 4PX 0.00509 -0.00829 -0.00365 -0.00258 0.00204 181 4PY 0.00765 0.00147 0.00730 0.00094 0.00258 182 4PZ 0.00501 0.00606 -0.00668 0.00221 0.00146 183 5PX -0.00128 0.00257 0.00763 0.00541 -0.00439 184 5PY -0.00232 -0.00052 -0.01520 -0.00175 -0.00497 185 5PZ -0.00138 -0.00203 0.01424 -0.00480 -0.00318 186 10 O 1S 0.00004 0.00001 0.00098 -0.00001 -0.00001 187 2S -0.00004 -0.00001 -0.00102 0.00002 0.00002 188 3S -0.00048 -0.00016 -0.01290 0.00001 0.00006 189 4PX -0.00487 0.00772 0.00264 0.00684 -0.00567 190 4PY -0.00712 -0.00134 -0.00545 -0.00222 -0.00658 191 4PZ -0.00475 -0.00559 0.00486 -0.00613 -0.00412 192 5PX -0.00134 0.00202 0.00056 0.00329 -0.00273 193 5PY -0.00194 -0.00033 -0.00133 -0.00109 -0.00323 194 5PZ -0.00124 -0.00141 0.00098 -0.00288 -0.00194 66 67 68 69 70 O O O O O EIGENVALUES -- -0.26127 -0.25855 -0.25852 -0.25776 -0.25770 1 1 Cu 1S -0.00077 0.00041 0.00009 -0.00154 -0.00024 2 2S -0.03517 -0.04143 -0.00800 -0.01067 -0.00181 3 3S -0.10417 -0.12535 -0.02373 -0.08436 -0.01357 4 4PX -0.00390 -0.00656 -0.00108 -0.00103 -0.00203 5 4PY -0.00344 -0.00698 -0.00140 0.00117 0.00048 6 4PZ -0.00458 -0.00734 -0.00155 -0.00232 0.00095 7 5PX 0.02382 0.03913 0.00009 0.01695 0.00779 8 5PY 0.02077 0.03456 0.00808 -0.01842 -0.00349 9 5PZ 0.02814 0.04302 0.01351 0.02985 0.00112 10 6PX 0.01182 0.01865 -0.00870 -0.00360 0.03048 11 6PY 0.01900 0.00767 0.00356 0.00920 -0.00412 12 6PZ 0.01221 0.01921 0.01253 0.00264 -0.02176 13 7D 0 0.03241 0.05742 0.13104 0.19715 0.09456 14 7D+1 0.11956 0.41132 0.02936 -0.13001 -0.05804 15 7D-1 0.35180 0.31278 0.04854 0.14442 -0.05157 16 7D+2 0.10351 0.00683 -0.05744 0.46548 0.07520 17 7D-2 0.23587 0.27674 0.10331 -0.10576 0.10405 18 8D 0 0.01091 0.01868 0.04351 0.06505 0.03191 19 8D+1 0.03961 0.13523 0.00952 -0.04251 -0.01936 20 8D-1 0.11481 0.10308 0.01635 0.04723 -0.01692 21 8D+2 0.03396 0.00229 -0.01928 0.15349 0.02437 22 8D-2 0.07699 0.09129 0.03371 -0.03509 0.03429 23 2 Cu 1S 0.00110 0.00036 -0.00043 0.00051 -0.00064 24 2S -0.05706 -0.03005 0.03559 0.00905 -0.01130 25 3S 0.08132 0.00630 -0.00840 0.03350 -0.04125 26 4PX -0.00309 0.00246 -0.00291 0.00119 -0.00188 27 4PY 0.00598 0.00020 -0.00239 -0.00806 -0.00370 28 4PZ -0.00562 -0.00229 0.00058 -0.00558 -0.00741 29 5PX 0.00276 -0.00933 0.01209 0.00107 0.00060 30 5PY -0.03088 0.00754 0.03166 0.03169 0.03132 31 5PZ 0.03012 0.03251 0.00378 0.03827 0.02637 32 6PX 0.00242 -0.00885 0.01079 0.02837 -0.03594 33 6PY -0.01959 0.00791 0.01573 -0.03043 0.02966 34 6PZ 0.01915 0.01706 0.00556 0.02010 -0.03371 35 7D 0 -0.02901 -0.12400 -0.10049 -0.08189 -0.14302 36 7D+1 0.01488 0.13131 -0.01932 -0.10245 0.05621 37 7D-1 0.15713 0.10543 -0.11654 -0.08507 0.11915 38 7D+2 0.05469 -0.05304 -0.07136 -0.13369 0.02352 39 7D-2 -0.01238 -0.00063 0.13516 0.03737 -0.10781 40 8D 0 -0.00995 -0.03944 -0.03190 -0.02686 -0.04535 41 8D+1 0.00533 0.03906 -0.00706 -0.03229 0.01751 42 8D-1 0.04938 0.03280 -0.03612 -0.02759 0.03859 43 8D+2 0.01859 -0.01696 -0.02280 -0.04214 0.00650 44 8D-2 -0.00475 -0.00136 0.04050 0.01153 -0.03381 45 3 Cu 1S 0.00152 -0.00002 -0.00001 0.00000 0.00000 46 2S -0.08441 0.00100 0.00049 0.00015 0.00013 47 3S -0.03065 0.00053 0.00034 -0.00006 0.00021 48 4PX 0.00282 0.00084 -0.00097 -0.00147 0.00175 49 4PY -0.00566 0.00102 0.00042 -0.00165 -0.00059 50 4PZ 0.00529 0.00047 0.00089 -0.00099 -0.00158 51 5PX -0.00412 -0.00046 0.00062 0.00423 -0.00504 52 5PY 0.00807 -0.00077 -0.00036 0.00490 0.00171 53 5PZ -0.00770 -0.00021 -0.00052 0.00288 0.00459 54 6PX -0.00859 -0.00076 0.00094 0.01303 -0.01546 55 6PY 0.01694 -0.00122 -0.00063 0.01487 0.00531 56 6PZ -0.01617 -0.00047 -0.00093 0.00882 0.01387 57 7D 0 0.02059 0.01100 -0.08399 0.06158 -0.02852 58 7D+1 0.05980 0.13274 0.04247 0.24212 0.02388 59 7D-1 -0.11689 0.07374 -0.08399 0.10836 -0.14873 60 7D+2 -0.04574 -0.09004 0.07486 -0.03922 0.09477 61 7D-2 -0.06246 0.06420 0.11954 0.07201 0.22348 62 8D 0 0.00689 0.00363 -0.02825 0.02109 -0.00795 63 8D+1 0.02001 0.04444 0.01427 0.08049 0.00737 64 8D-1 -0.03912 0.02469 -0.02811 0.03588 -0.04937 65 8D+2 -0.01531 -0.03027 0.02509 -0.01156 0.03095 66 8D-2 -0.02090 0.02155 0.03999 0.02330 0.07448 67 4 Cu 1S 0.00113 0.00017 0.00053 0.00030 0.00077 68 2S -0.05740 -0.01452 -0.04395 0.00490 0.01330 69 3S 0.08251 0.00254 0.00915 0.01943 0.04883 70 4PX -0.00298 -0.00239 -0.00173 -0.00927 0.00461 71 4PY 0.00586 -0.00016 0.00325 -0.00710 0.00066 72 4PZ -0.00559 0.00058 0.00257 -0.00051 0.00365 73 5PX 0.02022 0.03529 0.00579 0.05014 -0.01710 74 5PY -0.03375 0.01238 -0.03006 0.03100 -0.01716 75 5PZ 0.01696 0.00352 -0.00669 0.00934 -0.00149 76 6PX 0.01276 0.02066 0.00226 -0.00108 0.01468 77 6PY -0.02151 0.00894 -0.01389 -0.01736 -0.03224 78 6PZ 0.01144 -0.00042 -0.01060 0.02156 0.05868 79 7D 0 0.04415 0.03921 0.07352 -0.08606 -0.14376 80 7D+1 -0.03024 0.03324 0.02316 -0.09296 0.05070 81 7D-1 0.06332 0.03967 -0.04861 -0.03946 0.02204 82 7D+2 0.06219 -0.16889 0.12871 -0.14187 -0.01280 83 7D-2 0.13121 0.12836 0.14600 0.00768 -0.17690 84 8D 0 0.01572 0.01141 0.02295 -0.02690 -0.04439 85 8D+1 -0.00998 0.00794 0.00777 -0.02985 0.01591 86 8D-1 0.01972 0.01097 -0.01422 -0.01271 0.00663 87 8D+2 0.01964 -0.05264 0.04002 -0.04574 -0.00410 88 8D-2 0.04140 0.04031 0.04498 0.00245 -0.05691 89 5 Cu 1S -0.00049 -0.00001 -0.00001 0.00000 0.00000 90 2S -0.01349 -0.00001 0.00000 0.00003 -0.00010 91 3S 0.00375 -0.00088 -0.00027 0.00081 0.00029 92 4PX -0.00247 0.00243 -0.00274 0.00795 -0.00935 93 4PY 0.00517 0.00252 0.00101 0.00904 0.00323 94 4PZ -0.00459 0.00140 0.00258 0.00544 0.00843 95 5PX -0.00463 0.00551 -0.00559 -0.03519 0.04108 96 5PY 0.00880 0.00575 0.00256 -0.03966 -0.01397 97 5PZ -0.00868 0.00380 0.00571 -0.02377 -0.03692 98 6PX 0.00407 -0.00710 0.00738 0.02043 -0.02425 99 6PY -0.00850 -0.00763 -0.00310 0.02349 0.00850 100 6PZ 0.00665 -0.00438 -0.00721 0.01384 0.02173 101 7D 0 -0.00728 0.01782 0.05176 0.01391 -0.08769 102 7D+1 -0.02895 -0.00397 -0.02041 0.16164 0.04158 103 7D-1 0.05644 -0.00682 0.00455 0.07897 -0.10192 104 7D+2 0.02329 0.05074 -0.01741 -0.09323 0.08748 105 7D-2 0.03034 -0.02367 0.00029 0.07689 0.13885 106 8D 0 -0.00238 0.00446 0.01473 0.00354 -0.02546 107 8D+1 -0.00936 -0.00322 -0.00601 0.04536 0.01197 108 8D-1 0.01821 -0.00294 0.00253 0.02228 -0.02868 109 8D+2 0.00750 0.01462 -0.00569 -0.02705 0.02489 110 8D-2 0.00980 -0.00720 -0.00190 0.02197 0.03894 111 6 Cu 1S -0.00081 -0.00013 -0.00038 0.00057 0.00147 112 2S -0.03305 0.01415 0.04059 0.00425 0.00964 113 3S -0.10186 0.04267 0.12265 0.03181 0.07945 114 4PX -0.00345 0.00191 0.00602 0.00229 0.00048 115 4PY 0.00425 -0.00254 -0.00701 0.00032 -0.00247 116 4PZ 0.00351 -0.00257 -0.00725 0.00067 0.00096 117 5PX 0.02184 -0.00505 -0.03709 -0.01157 -0.01439 118 5PY -0.02648 0.01923 0.04078 0.00820 0.02977 119 5PZ -0.02183 0.01419 0.03621 -0.00698 -0.01562 120 6PX 0.01089 0.00647 -0.01904 -0.02983 0.01081 121 6PY -0.01062 0.01492 0.01772 -0.01984 0.00696 122 6PZ -0.01962 0.00548 0.00878 -0.00214 0.00945 123 7D 0 -0.07026 0.00820 -0.00210 0.22060 0.45735 124 7D+1 -0.23133 0.14479 0.26870 0.09302 -0.12020 125 7D-1 0.35703 -0.10899 -0.33082 0.00687 -0.17897 126 7D+2 0.03311 0.14929 0.04126 0.02471 -0.08560 127 7D-2 -0.08956 0.07030 0.38571 -0.08952 -0.11110 128 8D 0 -0.02326 0.00254 -0.00076 0.07275 0.15089 129 8D+1 -0.07550 0.04735 0.08867 0.03062 -0.03979 130 8D-1 0.11653 -0.03622 -0.10895 0.00225 -0.05866 131 8D+2 0.01060 0.04959 0.01331 0.00891 -0.02828 132 8D-2 -0.02976 0.02296 0.12683 -0.02968 -0.03625 133 7 Cu 1S 0.00109 -0.00056 -0.00011 -0.00083 -0.00013 134 2S -0.05612 0.04667 0.00945 -0.01395 -0.00197 135 3S 0.08120 -0.01072 -0.00209 -0.05357 -0.00814 136 4PX -0.00302 0.00231 0.00221 -0.00217 0.00963 137 4PY 0.00632 0.00228 0.00013 0.00340 -0.00123 138 4PZ -0.00566 0.00334 -0.00059 -0.00077 -0.00727 139 5PX 0.02027 -0.01200 -0.03411 0.00424 -0.05067 140 5PY -0.02071 -0.00420 0.00470 0.00147 0.00924 141 5PZ 0.03306 -0.02859 0.01717 -0.01013 0.03531 142 6PX 0.01234 -0.00572 -0.02001 -0.01360 0.00385 143 6PY -0.01342 -0.00963 0.00099 0.06354 0.00868 144 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5PX -0.00442 -0.00152 0.00200 -0.00280 0.00360 184 5PY 0.00908 -0.00186 -0.00084 -0.00325 -0.00133 185 5PZ -0.00776 -0.00084 -0.00185 -0.00202 -0.00331 186 10 O 1S 0.00192 0.00000 0.00000 -0.00001 0.00000 187 2S -0.00599 0.00003 0.00002 0.00005 0.00003 188 3S -0.00677 -0.00012 -0.00009 -0.00008 -0.00014 189 4PX 0.00783 0.00269 -0.00337 0.00678 -0.00772 190 4PY -0.01585 0.00293 0.00134 0.00770 0.00260 191 4PZ 0.01385 0.00158 0.00319 0.00461 0.00703 192 5PX 0.00332 0.00211 -0.00258 0.00447 -0.00516 193 5PY -0.00679 0.00225 0.00100 0.00498 0.00171 194 5PZ 0.00573 0.00127 0.00249 0.00312 0.00481 71 72 73 74 75 O O O O O EIGENVALUES -- -0.25688 -0.25263 -0.25261 -0.25257 -0.24845 1 1 Cu 1S 0.00000 0.00077 0.00017 0.00004 -0.00147 2 2S -0.00025 -0.04864 -0.00028 0.02686 0.04632 3 3S -0.00082 -0.03478 0.00685 0.03805 -0.05024 4 4PX -0.00037 -0.00725 0.00422 0.00266 0.00199 5 4PY 0.00004 0.00337 -0.00206 -0.00527 0.00246 6 4PZ 0.00018 -0.00917 -0.00234 0.00812 0.00261 7 5PX 0.00174 0.02356 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0.00246 -0.00269 -0.00026 0.00028 68 2S -0.00021 0.00550 -0.00506 0.01978 0.01848 69 3S -0.00089 0.11621 -0.12996 -0.06238 0.03056 70 4PX 0.00828 0.00647 0.00165 -0.00112 -0.00429 71 4PY 0.00560 0.00157 0.00429 0.00233 -0.00188 72 4PZ 0.00140 -0.00582 0.00759 -0.00439 -0.00549 73 5PX -0.03182 -0.01410 -0.01472 -0.00493 0.02113 74 5PY -0.02133 -0.01842 0.00030 0.00551 0.00669 75 5PZ -0.00553 0.02377 -0.03010 0.01396 0.02246 76 6PX 0.00072 -0.01245 -0.02316 -0.00136 0.06655 77 6PY 0.00104 -0.01849 -0.00412 0.00310 0.05370 78 6PZ -0.00053 -0.01275 0.00758 0.00626 -0.00408 79 7D 0 -0.04599 0.16263 -0.15534 0.04044 0.08822 80 7D+1 -0.12599 -0.10580 0.15792 -0.04528 0.10240 81 7D-1 -0.14611 0.10161 -0.05152 0.07506 0.14367 82 7D+2 0.33773 -0.11454 -0.00871 0.05436 -0.00126 83 7D-2 -0.10683 -0.14353 0.20669 0.08899 -0.14698 84 8D 0 -0.01489 0.05181 -0.04912 0.01348 0.02743 85 8D+1 -0.04076 -0.03338 0.05111 -0.01455 0.03027 86 8D-1 -0.04711 0.03286 -0.01626 0.02404 0.04601 87 8D+2 0.10845 -0.03673 -0.00219 0.01774 -0.00130 88 8D-2 -0.03425 -0.04695 0.06688 0.02935 -0.04557 89 5 Cu 1S 0.00000 -0.00032 0.00041 0.00129 -0.00001 90 2S 0.00001 -0.00427 0.00547 0.01731 0.00013 91 3S -0.00011 -0.03541 0.04609 0.14764 -0.00106 92 4PX 0.00033 0.00199 0.01186 0.00454 -0.00492 93 4PY 0.00002 0.01126 -0.00361 -0.01161 -0.00804 94 4PZ -0.00016 0.00363 -0.00073 0.01551 -0.00611 95 5PX -0.00143 -0.00998 -0.04854 -0.01317 0.01172 96 5PY -0.00004 -0.04468 0.01147 0.03681 0.01896 97 5PZ 0.00079 -0.01820 0.00655 -0.05486 0.01458 98 6PX 0.00038 0.00662 0.01237 -0.00882 -0.04136 99 6PY -0.00002 0.00915 0.00430 0.01333 -0.06937 100 6PZ -0.00022 0.01236 -0.01009 -0.00713 -0.05092 101 7D 0 0.00221 -0.03470 0.06744 0.01200 0.03382 102 7D+1 0.00032 0.04913 0.03764 0.12929 -0.01613 103 7D-1 0.00267 0.07353 -0.01348 -0.23855 -0.00631 104 7D+2 -0.00248 -0.02425 -0.09729 -0.07873 0.05298 105 7D-2 -0.00202 0.09109 -0.07309 -0.09568 -0.02749 106 8D 0 0.00064 -0.01171 0.02087 0.00347 0.01109 107 8D+1 0.00007 0.01298 0.01073 0.03987 -0.00292 108 8D-1 0.00075 0.02235 -0.00589 -0.07359 -0.00135 109 8D+2 -0.00072 -0.00799 -0.02966 -0.02473 0.01646 110 8D-2 -0.00056 0.02709 -0.02079 -0.03055 -0.00760 111 6 Cu 1S -0.00001 -0.00048 0.00049 -0.00035 0.00082 112 2S -0.00021 0.01931 -0.01851 0.04803 -0.02602 113 3S -0.00067 0.00663 -0.00524 0.05253 0.02782 114 4PX 0.00038 0.00549 0.00091 0.00663 0.00135 115 4PY 0.00031 -0.00105 0.00496 -0.01179 0.00318 116 4PZ 0.00003 0.00020 0.00122 0.00584 0.00184 117 5PX -0.00137 -0.02456 -0.01458 -0.02375 -0.01817 118 5PY -0.00145 -0.00657 -0.01753 0.04778 -0.00298 119 5PZ 0.00022 -0.00367 -0.00499 -0.03908 -0.00631 120 6PX 0.00602 -0.01364 -0.00664 -0.01232 0.01574 121 6PY 0.00407 -0.00404 -0.00859 0.02202 0.03419 122 6PZ 0.00105 0.00579 -0.01019 -0.00787 -0.02040 123 7D 0 -0.08448 0.07586 -0.04236 0.41482 -0.07196 124 7D+1 -0.24384 0.01334 0.01095 -0.08853 -0.08378 125 7D-1 -0.16812 0.06171 0.03854 0.01659 0.03503 126 7D+2 0.04067 -0.16720 -0.26052 0.13526 -0.17307 127 7D-2 0.03283 0.21746 -0.05028 0.27413 0.14167 128 8D 0 -0.02784 0.02606 -0.01469 0.13761 -0.02435 129 8D+1 -0.08011 0.00447 0.00464 -0.02927 -0.02673 130 8D-1 -0.05574 0.02128 0.01265 0.00507 0.01059 131 8D+2 0.01603 -0.05549 -0.08678 0.04446 -0.05792 132 8D-2 0.00972 0.07224 -0.01689 0.09006 0.04601 133 7 Cu 1S -0.00001 -0.00281 -0.00127 -0.00194 -0.00048 134 2S 0.00019 -0.01666 0.00098 0.01217 -0.03366 135 3S -0.00043 -0.10671 -0.06990 -0.13389 -0.05433 136 4PX -0.00840 -0.00335 0.00402 -0.00415 -0.00001 137 4PY 0.00153 -0.00987 -0.00334 -0.00073 -0.00861 138 4PZ 0.00605 0.00010 -0.00500 -0.00156 0.00139 139 5PX 0.03277 0.00616 -0.01946 0.00067 -0.00290 140 5PY -0.00592 0.03821 0.01400 0.00739 0.03470 141 5PZ -0.02373 -0.00868 0.00810 -0.01447 -0.00923 142 6PX -0.00105 -0.00164 -0.02558 0.00098 -0.00136 143 6PY 0.00029 -0.00869 -0.00195 -0.01313 -0.02866 144 6PZ 0.00050 -0.00978 0.01217 -0.01162 0.01613 145 7D 0 0.28815 0.05972 0.08046 -0.04251 -0.00947 146 7D+1 -0.09426 -0.15730 -0.12791 -0.18959 -0.19820 147 7D-1 0.13997 -0.13993 0.00987 -0.00008 -0.07944 148 7D+2 -0.21558 0.18295 0.01780 0.11761 0.07475 149 7D-2 -0.10348 -0.17811 -0.07861 -0.04471 -0.09402 150 8D 0 0.09250 0.01893 0.02507 -0.01424 -0.00284 151 8D+1 -0.03023 -0.05095 -0.04130 -0.06205 -0.06237 152 8D-1 0.04514 -0.04488 0.00359 -0.00012 -0.02734 153 8D+2 -0.06930 0.05848 0.00551 0.03723 0.02310 154 8D-2 -0.03351 -0.05692 -0.02582 -0.01405 -0.03129 155 8 Cu 1S 0.00001 -0.00023 -0.00073 0.00008 0.00066 156 2S 0.00053 0.00564 0.04947 0.02399 -0.02087 157 3S 0.00169 -0.00207 0.03791 0.03674 0.02240 158 4PX -0.00006 -0.00096 -0.00150 0.00202 0.00166 159 4PY -0.00040 0.00319 -0.00992 -0.00548 0.00298 160 4PZ -0.00026 0.00389 0.00769 0.00741 0.00165 161 5PX 0.00004 0.00284 -0.00751 -0.01723 -0.00109 162 5PY 0.00203 -0.02303 0.03855 0.02594 -0.00786 163 5PZ 0.00073 -0.02037 -0.02549 -0.03796 -0.01803 164 6PX 0.00003 0.00437 0.01054 -0.00561 -0.01248 165 6PY -0.00509 -0.01259 0.01480 0.01114 0.03756 166 6PZ -0.00541 -0.01009 -0.00842 -0.01711 0.00752 167 7D 0 0.06731 -0.22342 -0.05713 -0.19874 -0.20356 168 7D+1 0.22292 0.11885 0.14542 0.15039 -0.02241 169 7D-1 -0.01105 0.05340 0.29186 0.10742 0.06885 170 7D+2 0.05792 -0.13966 0.25563 0.17279 -0.14117 171 7D-2 0.20097 0.10536 -0.21731 -0.09441 0.03683 172 8D 0 0.01983 -0.07429 -0.01948 -0.06552 -0.06690 173 8D+1 0.07413 0.04004 0.04806 0.05011 -0.00697 174 8D-1 -0.00354 0.01797 0.09653 0.03455 0.02170 175 8D+2 0.01777 -0.04577 0.08565 0.05661 -0.04754 176 8D-2 0.06696 0.03553 -0.07227 -0.03111 0.01218 177 9 C 1S 0.00000 -0.00565 0.00733 0.02358 -0.00019 178 2S 0.00000 0.01231 -0.01601 -0.05153 0.00046 179 3S -0.00002 0.02799 -0.03617 -0.11644 0.00072 180 4PX -0.00019 -0.00864 -0.00075 0.02494 0.00599 181 4PY -0.00001 0.00474 -0.01521 -0.04857 0.01045 182 4PZ 0.00010 -0.01570 0.01696 0.04012 0.00732 183 5PX -0.00006 0.00048 -0.00189 -0.00324 0.00600 184 5PY -0.00002 -0.00228 0.00203 0.00660 0.01009 185 5PZ 0.00004 0.00097 -0.00167 -0.00674 0.00752 186 10 O 1S 0.00000 0.00130 -0.00168 -0.00539 0.00004 187 2S 0.00000 -0.00328 0.00425 0.01367 -0.00012 188 3S -0.00001 -0.00785 0.01014 0.03255 -0.00005 189 4PX 0.00032 0.00848 0.00622 -0.01928 -0.00858 190 4PY 0.00002 0.00116 0.01147 0.03630 -0.01445 191 4PZ -0.00015 0.01531 -0.01492 -0.02720 -0.01064 192 5PX 0.00019 0.00386 0.00438 -0.00732 -0.00600 193 5PY 0.00002 0.00215 0.00427 0.01339 -0.00989 194 5PZ -0.00009 0.00693 -0.00628 -0.00887 -0.00750 76 77 78 79 80 O O O O O EIGENVALUES -- -0.24843 -0.24811 -0.24647 -0.24332 -0.24330 1 1 Cu 1S 0.00010 0.00071 0.00000 -0.00026 -0.00033 2 2S -0.00303 0.00192 0.00009 0.01469 0.01864 3 3S 0.00311 0.00576 -0.00024 0.00081 0.00107 4 4PX -0.00318 -0.00091 0.00870 0.00220 0.00021 5 4PY 0.00041 -0.00314 -0.00155 -0.00319 -0.00363 6 4PZ 0.00199 -0.00049 -0.00624 0.00114 0.00332 7 5PX 0.01645 0.00279 -0.03898 -0.00695 0.00001 8 5PY -0.00261 0.01421 0.00693 0.01230 0.01412 9 5PZ -0.01277 0.00033 0.02807 -0.00343 -0.01076 10 6PX -0.02877 0.00000 -0.01386 -0.01940 0.01296 11 6PY 0.00790 -0.00009 0.00233 0.02608 0.02654 12 6PZ 0.01807 0.00007 0.01005 0.00601 -0.01935 13 7D 0 -0.21990 -0.01965 0.29494 -0.04425 -0.04034 14 7D+1 0.09091 0.06180 -0.11067 -0.00914 -0.03645 15 7D-1 0.03221 0.05342 0.06435 0.10308 0.02853 16 7D+2 0.10625 -0.04948 -0.18154 -0.04796 -0.01860 17 7D-2 -0.10098 0.06583 0.00001 -0.02308 0.11415 18 8D 0 -0.07274 -0.00629 0.09726 -0.01476 -0.01298 19 8D+1 0.03016 0.02026 -0.03643 -0.00297 -0.01191 20 8D-1 0.01032 0.01743 0.02164 0.03343 0.01026 21 8D+2 0.03530 -0.01600 -0.06007 -0.01512 -0.00630 22 8D-2 -0.03326 0.02144 -0.00055 -0.00657 0.03701 23 2 Cu 1S -0.00043 -0.00091 0.00000 0.00223 -0.00032 24 2S -0.03022 0.02329 -0.00017 0.03979 -0.00561 25 3S -0.04842 -0.07748 -0.00018 0.09022 -0.01262 26 4PX 0.00664 -0.00018 -0.00005 0.00170 -0.00040 27 4PY -0.00490 -0.00235 -0.00345 -0.00985 -0.00418 28 4PZ 0.00065 0.00227 -0.00350 0.00783 -0.00694 29 5PX -0.02507 0.02193 0.00048 -0.02553 0.00390 30 5PY 0.02352 0.00463 0.02489 0.04629 0.00422 31 5PZ -0.00433 -0.00517 0.02552 -0.04070 0.01705 32 6PX 0.02093 0.00520 0.00057 0.01460 -0.00297 33 6PY 0.01555 0.00737 0.01461 -0.01927 -0.03139 34 6PZ 0.04599 -0.00780 0.01552 0.00853 -0.03650 35 7D 0 0.12371 -0.07274 -0.18630 0.00231 -0.03679 36 7D+1 0.14537 0.03736 -0.20710 -0.21561 0.12705 37 7D-1 0.13096 0.05682 0.01543 0.21049 -0.03104 38 7D+2 -0.08347 0.12718 -0.11931 0.01594 -0.01812 39 7D-2 -0.00692 -0.04576 -0.19239 0.25762 0.05688 40 8D 0 0.03881 -0.02189 -0.05987 0.00035 -0.01135 41 8D+1 0.04681 0.01256 -0.06537 -0.06834 0.04069 42 8D-1 0.04023 0.01674 0.00492 0.06544 -0.00967 43 8D+2 -0.02799 0.03816 -0.03828 0.00570 -0.00566 44 8D-2 -0.00377 -0.01515 -0.06071 0.08171 0.01842 45 3 Cu 1S 0.00000 -0.00066 0.00000 0.00001 0.00000 46 2S -0.00026 0.07256 0.00003 0.00013 -0.00003 47 3S -0.00046 0.17221 0.00006 0.00039 -0.00022 48 4PX -0.00347 -0.00556 -0.00001 0.00772 -0.00094 49 4PY 0.00037 0.01101 0.00002 0.00275 0.00540 50 4PZ 0.00230 -0.01042 0.00001 -0.00123 0.00624 51 5PX 0.01813 0.02960 -0.00001 -0.05380 0.00650 52 5PY -0.00196 -0.05862 -0.00006 -0.01911 -0.03758 53 5PZ -0.01199 0.05543 -0.00003 0.00849 -0.04342 54 6PX 0.04047 0.01826 0.00019 -0.00130 0.00025 55 6PY -0.00457 -0.03584 -0.00016 -0.00045 -0.00087 56 6PZ -0.02652 0.03410 -0.00021 0.00033 -0.00116 57 7D 0 -0.10633 -0.09827 -0.00107 -0.21788 0.61769 58 7D+1 -0.06000 -0.30762 0.00222 0.20216 -0.11296 59 7D-1 -0.38621 0.60336 -0.00088 -0.01018 -0.02639 60 7D+2 0.23665 0.24029 0.00143 0.55175 0.25514 61 7D-2 0.45761 0.32074 0.00274 -0.26681 -0.06086 62 8D 0 -0.03526 -0.03235 -0.00035 -0.07171 0.20384 63 8D+1 -0.01936 -0.10124 0.00073 0.06711 -0.03678 64 8D-1 -0.12611 0.19860 -0.00028 -0.00288 -0.00879 65 8D+2 0.07759 0.07909 0.00047 0.18177 0.08428 66 8D-2 0.14924 0.10557 0.00089 -0.08828 -0.01952 67 4 Cu 1S 0.00041 -0.00091 0.00000 -0.00084 0.00210 68 2S 0.02774 0.02345 0.00023 -0.01492 0.03732 69 3S 0.04594 -0.07769 0.00001 -0.03408 0.08480 70 4PX 0.00304 0.00165 0.00397 -0.00817 0.00267 71 4PY 0.00358 -0.00267 0.00271 -0.00041 -0.01079 72 4PZ -0.00658 0.00091 0.00063 -0.00334 0.00519 73 5PX -0.01131 -0.01026 -0.02900 0.01996 -0.01556 74 5PY -0.01881 0.01039 -0.01961 -0.00872 0.04458 75 5PZ 0.02597 0.01810 -0.00475 0.01911 -0.04151 76 6PX -0.04894 -0.00725 -0.01715 -0.03900 -0.01040 77 6PY -0.01925 0.00946 -0.01127 -0.02018 -0.02194 78 6PZ -0.03206 0.00112 -0.00325 -0.01413 0.01646 79 7D 0 0.02311 0.14404 0.08560 0.09963 -0.17409 80 7D+1 -0.19970 -0.05773 0.28196 0.12386 -0.08967 81 7D-1 -0.00438 0.03222 0.17007 -0.05104 0.31215 82 7D+2 -0.06905 0.03009 0.07910 -0.10492 0.03942 83 7D-2 -0.12551 0.05134 -0.08672 -0.00590 0.05991 84 8D 0 0.00744 0.04438 0.02711 0.03148 -0.05450 85 8D+1 -0.06341 -0.01670 0.08940 0.03986 -0.02854 86 8D-1 0.00094 0.00827 0.05377 -0.01581 0.09893 87 8D+2 -0.02059 0.00897 0.02600 -0.03304 0.01207 88 8D-2 -0.03992 0.01583 -0.02785 -0.00154 0.01786 89 5 Cu 1S -0.00001 0.00126 0.00000 0.00000 -0.00001 90 2S 0.00016 -0.00756 0.00001 -0.00003 -0.00005 91 3S -0.00064 0.07937 0.00010 0.00014 0.00025 92 4PX 0.00936 0.00008 0.00008 -0.00230 0.00023 93 4PY -0.00103 -0.00004 -0.00003 -0.00085 -0.00161 94 4PZ -0.00617 0.00008 -0.00006 0.00032 -0.00184 95 5PX -0.02213 -0.00921 -0.00019 0.01567 -0.00191 96 5PY 0.00228 0.01794 0.00006 0.00570 0.01110 97 5PZ 0.01476 -0.01708 0.00010 -0.00245 0.01245 98 6PX 0.07933 -0.00407 0.00050 0.04804 -0.00576 99 6PY -0.00925 0.00935 -0.00026 0.01710 0.03359 100 6PZ -0.05171 -0.00839 -0.00057 -0.00745 0.03861 101 7D 0 0.05533 0.00587 0.00061 -0.01678 0.01992 102 7D+1 -0.02120 0.01857 -0.00008 -0.01409 -0.02880 103 7D-1 0.01262 -0.03737 -0.00003 -0.02516 0.00375 104 7D+2 -0.03786 -0.01516 -0.00033 0.03323 0.00367 105 7D-2 0.00348 -0.02002 -0.00006 0.00394 -0.03113 106 8D 0 0.01697 0.00200 0.00019 -0.00545 0.00747 107 8D+1 -0.00689 0.00625 -0.00002 -0.00353 -0.00866 108 8D-1 0.00246 -0.01257 -0.00002 -0.00732 0.00103 109 8D+2 -0.01099 -0.00507 -0.00010 0.01117 0.00179 110 8D-2 0.00287 -0.00673 -0.00001 0.00041 -0.00920 111 6 Cu 1S 0.00121 0.00069 0.00001 -0.00015 0.00040 112 2S -0.03884 0.00212 -0.00033 0.00869 -0.02183 113 3S 0.04158 0.00521 0.00033 0.00064 -0.00133 114 4PX -0.00341 -0.00083 -0.00891 0.00214 -0.00082 115 4PY 0.00102 0.00036 -0.00593 -0.00029 0.00370 116 4PZ 0.00180 0.00316 -0.00154 0.00202 -0.00420 117 5PX 0.00348 0.00261 0.04002 -0.00706 0.00201 118 5PY 0.01635 0.00013 0.02682 0.00072 -0.01205 119 5PZ -0.00416 -0.01423 0.00697 -0.00772 0.01640 120 6PX -0.02785 0.00002 0.01379 -0.02307 -0.00672 121 6PY 0.01699 -0.00045 0.00957 -0.00988 -0.01803 122 6PZ -0.03956 0.00041 0.00208 -0.01737 0.03203 123 7D 0 -0.06684 0.05997 -0.01420 0.05539 -0.06070 124 7D+1 0.04349 -0.06378 -0.01455 0.05863 0.09817 125 7D-1 0.08099 0.05274 -0.07313 0.08592 -0.05287 126 7D+2 0.17036 -0.00980 0.33938 0.01024 -0.03081 127 7D-2 0.01179 -0.05909 -0.13155 -0.00125 -0.04161 128 8D 0 -0.02306 0.01938 -0.00487 0.01778 -0.01988 129 8D+1 0.01542 -0.02078 -0.00537 0.01811 0.03204 130 8D-1 0.02495 0.01724 -0.02452 0.02760 -0.01810 131 8D+2 0.05556 -0.00322 0.11200 0.00389 -0.00997 132 8D-2 0.00261 -0.01937 -0.04331 -0.00041 -0.01363 133 7 Cu 1S 0.00004 -0.00089 0.00000 -0.00139 -0.00178 134 2S 0.00203 0.02366 -0.00005 -0.02491 -0.03181 135 3S 0.00368 -0.07656 -0.00028 -0.05679 -0.07228 136 4PX 0.00514 0.00169 -0.00388 -0.00847 -0.00047 137 4PY -0.00034 -0.00100 0.00067 0.00496 0.00449 138 4PZ -0.00378 0.00257 0.00280 -0.00219 -0.01025 139 5PX -0.02313 -0.01088 0.02843 0.02299 0.00939 140 5PY 0.00186 -0.01769 -0.00494 -0.03134 -0.03637 141 5PZ 0.01737 -0.01066 -0.02049 0.01884 0.03844 142 6PX -0.08023 -0.00710 0.01606 -0.03355 0.02021 143 6PY 0.01597 -0.00029 -0.00285 0.01867 0.01265 144 6PZ 0.05665 -0.00955 -0.01157 0.01462 -0.02659 145 7D 0 0.05617 -0.09324 0.10257 0.01323 -0.08511 146 7D+1 -0.03298 -0.04705 -0.07585 0.01863 0.04558 147 7D-1 -0.12510 0.04461 -0.18588 -0.12609 -0.27481 148 7D+2 0.03099 -0.10689 0.03942 -0.19347 -0.13878 149 7D-2 0.19794 0.06654 0.28032 -0.13902 -0.05408 150 8D 0 0.01630 -0.02859 0.03332 0.00411 -0.02693 151 8D+1 -0.00968 -0.01456 -0.02436 0.00522 0.01341 152 8D-1 -0.03851 0.01213 -0.05881 -0.03959 -0.08719 153 8D+2 0.01012 -0.03323 0.01203 -0.06094 -0.04330 154 8D-2 0.06104 0.01940 0.08893 -0.04467 -0.01708 155 8 Cu 1S -0.00131 0.00069 0.00000 0.00043 -0.00005 156 2S 0.04178 0.00226 0.00034 -0.02332 0.00322 157 3S -0.04477 0.00508 0.00021 -0.00133 0.00024 158 4PX -0.00317 0.00326 0.00018 -0.00301 0.00048 159 4PY -0.00024 -0.00036 0.00747 0.00396 0.00086 160 4PZ 0.00250 0.00021 0.00783 -0.00334 0.00197 161 5PX 0.00150 -0.01398 -0.00089 0.01276 -0.00198 162 5PY -0.01649 0.00300 -0.03364 -0.01348 -0.00300 163 5PZ 0.00331 -0.00228 -0.03521 0.01127 -0.00676 164 6PX 0.02657 0.00035 -0.00014 0.02963 -0.00472 165 6PY -0.02138 -0.00058 -0.01178 -0.02060 -0.01732 166 6PZ 0.04138 0.00035 -0.01195 0.01328 -0.02302 167 7D 0 -0.13237 -0.05110 -0.28496 0.06180 0.02770 168 7D+1 0.04783 -0.03382 0.12700 0.02620 0.07358 169 7D-1 -0.11428 -0.03726 0.00985 -0.07082 0.00581 170 7D+2 -0.02868 0.09028 -0.15679 -0.10094 0.04003 171 7D-2 -0.05094 0.02883 0.12921 -0.00270 0.07272 172 8D 0 -0.04466 -0.01660 -0.09380 0.02034 0.00907 173 8D+1 0.01549 -0.01114 0.04239 0.00879 0.02300 174 8D-1 -0.03562 -0.01221 0.00323 -0.02343 0.00197 175 8D+2 -0.00776 0.02934 -0.05156 -0.03328 0.01309 176 8D-2 -0.01631 0.00952 0.04310 -0.00141 0.02286 177 9 C 1S -0.00008 0.00197 0.00002 0.00001 0.00000 178 2S 0.00021 -0.00464 -0.00003 -0.00002 -0.00001 179 3S 0.00021 -0.00719 -0.00008 0.00001 0.00022 180 4PX -0.01179 0.00193 -0.00007 0.00201 -0.00012 181 4PY 0.00144 -0.00409 0.00000 0.00078 0.00139 182 4PZ 0.00761 0.00365 0.00011 -0.00021 0.00158 183 5PX -0.01167 -0.00332 -0.00007 -0.00229 0.00033 184 5PY 0.00137 0.00648 0.00005 -0.00073 -0.00153 185 5PZ 0.00774 -0.00606 0.00007 0.00040 -0.00191 186 10 O 1S 0.00002 -0.00073 0.00000 0.00000 0.00000 187 2S -0.00006 0.00110 0.00001 0.00000 0.00000 188 3S -0.00001 0.00766 0.00002 0.00001 -0.00002 189 4PX 0.01664 -0.00162 0.00011 -0.00205 0.00008 190 4PY -0.00194 0.00351 -0.00002 -0.00083 -0.00141 191 4PZ -0.01093 -0.00313 -0.00012 0.00018 -0.00159 192 5PX 0.01151 -0.00029 0.00007 -0.00069 -0.00002 193 5PY -0.00129 0.00078 -0.00002 -0.00033 -0.00051 194 5PZ -0.00766 -0.00060 -0.00008 0.00002 -0.00050 81 82 83 84 85 O O O V V EIGENVALUES -- -0.20308 -0.20297 -0.18687 -0.08614 -0.08610 1 1 Cu 1S 0.00066 -0.00010 -0.00013 -0.00117 -0.00190 2 2S 0.32947 -0.04523 -0.14150 0.00880 0.01166 3 3S 0.12640 -0.01766 -0.08753 -0.03888 -0.06098 4 4PX 0.00535 -0.01772 -0.00162 -0.00751 -0.00825 5 4PY 0.00284 0.00258 -0.01600 0.01851 0.02838 6 4PZ 0.01165 0.01065 0.00164 -0.01187 -0.02032 7 5PX 0.00726 0.04814 -0.00429 0.04888 0.03730 8 5PY 0.01499 -0.01053 0.03877 -0.05033 -0.07298 9 5PZ -0.00784 -0.03431 -0.01535 0.04358 0.09269 10 6PX 0.01918 0.00495 -0.00262 -0.03526 0.07921 11 6PY -0.01457 0.00059 0.00704 -0.06839 -0.13163 12 6PZ 0.02821 -0.00930 -0.00517 0.09960 0.05671 13 7D 0 -0.01955 -0.09337 -0.04118 -0.00055 0.04186 14 7D+1 0.00099 0.02684 -0.05169 0.01400 -0.00302 15 7D-1 0.02987 -0.07432 0.07604 0.01374 -0.01694 16 7D+2 0.01576 0.08091 -0.00866 0.02906 0.04219 17 7D-2 0.03604 0.06181 0.05277 -0.04125 -0.00058 18 8D 0 -0.00461 -0.03201 -0.01460 0.00202 0.01359 19 8D+1 0.00540 0.00860 -0.01811 0.00456 0.00054 20 8D-1 0.01276 -0.02466 0.02308 0.00353 -0.00629 21 8D+2 0.00641 0.02689 -0.00458 0.00922 0.01474 22 8D-2 0.01417 0.01945 0.01642 -0.01309 -0.00158 23 2 Cu 1S -0.00066 -0.00084 0.00087 0.00256 -0.00491 24 2S 0.12662 0.16433 0.05570 0.07440 -0.14542 25 3S -0.05439 -0.06848 0.05655 0.01777 -0.03156 26 4PX -0.01206 -0.01371 0.03098 -0.00326 0.00650 27 4PY -0.02405 0.02863 -0.03445 0.00784 0.02422 28 4PZ -0.03464 0.01784 0.03198 0.02494 -0.00698 29 5PX 0.04028 0.04745 -0.07740 0.02814 -0.05506 30 5PY 0.06326 -0.05984 0.07803 -0.01932 -0.07588 31 5PZ 0.07561 -0.05019 -0.07222 -0.07491 0.02681 32 6PX 0.03826 0.04793 0.00029 0.02731 -0.04211 33 6PY 0.02411 -0.00336 0.00523 0.12616 0.01324 34 6PZ 0.00951 -0.02339 -0.00466 0.08500 0.09924 35 7D 0 -0.18183 0.06843 0.06737 -0.03093 -0.00815 36 7D+1 -0.00546 -0.06056 -0.07909 -0.02920 -0.02072 37 7D-1 -0.01812 -0.03596 -0.00146 -0.01306 0.02809 38 7D+2 -0.02250 0.14153 -0.11295 -0.01336 -0.01699 39 7D-2 0.05746 0.01465 0.08895 -0.03222 -0.00864 40 8D 0 -0.06105 0.02201 0.02274 -0.01019 -0.00248 41 8D+1 -0.00158 -0.02320 -0.02597 -0.00836 -0.00606 42 8D-1 -0.00552 -0.01123 -0.00312 -0.00426 0.00916 43 8D+2 -0.00624 0.04848 -0.03838 -0.00410 -0.00584 44 8D-2 0.02204 0.00547 0.02922 -0.00932 -0.00229 45 3 Cu 1S 0.00000 0.00000 0.00043 -0.00003 -0.00002 46 2S -0.00111 0.00080 0.38310 -0.00138 -0.00087 47 3S -0.00040 0.00041 0.10046 -0.00148 -0.00060 48 4PX -0.01086 -0.01345 -0.00443 -0.01384 0.02860 49 4PY -0.01277 0.00440 0.00881 0.01724 0.01770 50 4PZ -0.00764 0.01175 -0.00841 0.02566 0.00355 51 5PX 0.03293 0.04070 -0.00592 0.05161 -0.10613 52 5PY 0.03855 -0.01327 0.01177 -0.06443 -0.06600 53 5PZ 0.02324 -0.03557 -0.01089 -0.09504 -0.01296 54 6PX 0.00252 0.00295 -0.01471 0.01792 -0.03803 55 6PY 0.00276 -0.00090 0.02943 -0.02321 -0.02411 56 6PZ 0.00186 -0.00270 -0.02728 -0.03318 -0.00487 57 7D 0 -0.08490 0.11026 0.00330 0.06556 0.00376 58 7D+1 -0.12242 -0.03732 0.01155 -0.00956 0.02869 59 7D-1 -0.04262 -0.06896 -0.02316 -0.00807 0.00795 60 7D+2 -0.10304 0.00058 -0.00928 0.01053 0.05564 61 7D-2 0.01517 0.12753 -0.01247 0.01706 -0.02893 62 8D 0 -0.02814 0.03734 0.00196 0.01894 0.00118 63 8D+1 -0.03946 -0.01269 0.00643 -0.00260 0.00857 64 8D-1 -0.01356 -0.02215 -0.01289 -0.00244 0.00251 65 8D+2 -0.03495 -0.00049 -0.00515 0.00313 0.01597 66 8D-2 0.00565 0.04133 -0.00690 0.00523 -0.00839 67 4 Cu 1S -0.00041 0.00097 0.00086 -0.00547 0.00031 68 2S 0.07805 -0.19170 0.05658 -0.16339 0.00845 69 3S -0.03363 0.08018 0.05681 -0.03235 0.00290 70 4PX -0.04015 -0.01694 0.01288 -0.01298 0.02242 71 4PY -0.02514 -0.01530 -0.03123 0.02237 0.01312 72 4PZ -0.01499 0.01631 0.04509 -0.00199 0.00371 73 5PX 0.09016 0.05170 -0.02682 0.05491 -0.06537 74 5PY 0.06555 0.02180 0.06900 -0.08190 -0.03695 75 5PZ 0.04022 -0.05012 -0.10871 -0.02845 -0.00876 76 6PX 0.01315 0.03451 -0.00315 0.05596 0.13856 77 6PY 0.02623 -0.01920 0.00531 -0.05812 0.09912 78 6PZ 0.02324 -0.04478 -0.00134 -0.02303 0.02655 79 7D 0 0.01442 -0.05311 -0.16983 -0.01703 -0.01327 80 7D+1 -0.06719 0.05651 0.02493 -0.00144 -0.04762 81 7D-1 0.03664 -0.06277 0.03334 0.01122 -0.02953 82 7D+2 -0.18702 -0.06218 -0.00966 0.01045 -0.01387 83 7D-2 0.05271 0.09780 -0.02800 0.02408 0.01230 84 8D 0 0.00533 -0.01721 -0.05667 -0.00584 -0.00387 85 8D+1 -0.02125 0.02156 0.00901 -0.00013 -0.01420 86 8D-1 0.01482 -0.02325 0.00952 0.00348 -0.00860 87 8D+2 -0.06298 -0.02138 -0.00428 0.00336 -0.00518 88 8D-2 0.01729 0.03313 -0.01126 0.00796 0.00403 89 5 Cu 1S -0.00001 0.00000 0.00082 -0.00014 -0.00008 90 2S 0.00117 -0.00097 -0.15773 -0.00276 -0.00183 91 3S -0.00090 0.00058 0.06134 0.00359 0.00178 92 4PX -0.03235 -0.04004 -0.01273 0.02203 -0.04577 93 4PY -0.03797 0.01301 0.02514 -0.02746 -0.02835 94 4PZ -0.02281 0.03509 -0.02389 -0.04096 -0.00567 95 5PX 0.09072 0.11184 0.03762 -0.09878 0.20546 96 5PY 0.10608 -0.03622 -0.07448 0.12300 0.12702 97 5PZ 0.06403 -0.09815 0.07048 0.18406 0.02560 98 6PX -0.04021 -0.04923 0.00398 0.07955 -0.17506 99 6PY -0.04702 0.01596 -0.00923 -0.10361 -0.11083 100 6PZ -0.02832 0.04303 0.00578 -0.15177 -0.02385 101 7D 0 0.03041 -0.08260 -0.02166 -0.16233 -0.02679 102 7D+1 -0.01519 0.03216 -0.06915 -0.00756 -0.12455 103 7D-1 -0.01356 -0.01423 0.13715 0.04307 -0.06129 104 7D+2 0.08016 0.03646 0.05452 -0.04481 -0.12082 105 7D-2 -0.03853 0.00370 0.07324 -0.10288 0.07871 106 8D 0 0.01286 -0.02999 -0.00691 -0.03702 -0.00517 107 8D+1 0.00034 0.01140 -0.02242 -0.00004 -0.02561 108 8D-1 -0.00250 -0.00148 0.04460 0.00849 -0.01191 109 8D+2 0.02896 0.01122 0.01782 -0.00929 -0.02850 110 8D-2 -0.01253 -0.00415 0.02384 -0.02039 0.01754 111 6 Cu 1S -0.00025 0.00063 -0.00016 0.00233 -0.00007 112 2S -0.12531 0.30721 -0.14364 -0.01110 0.00149 113 3S -0.04739 0.11766 -0.08972 0.07413 -0.00348 114 4PX -0.01873 0.00024 -0.00132 0.01103 0.00094 115 4PY -0.00676 -0.01384 -0.00222 -0.02499 0.00249 116 4PZ -0.00172 -0.00383 0.01588 0.03346 -0.00118 117 5PX 0.04605 0.01940 -0.00476 -0.05726 -0.01628 118 5PY 0.02951 0.01593 0.01717 0.10627 -0.01918 119 5PZ 0.01458 -0.01208 -0.03805 -0.08721 -0.00025 120 6PX 0.00021 0.01928 -0.00277 -0.04054 0.07752 121 6PY 0.01590 -0.02543 0.00634 0.10496 0.04463 122 6PZ -0.00330 0.01141 -0.00699 -0.13516 0.01882 123 7D 0 -0.02567 -0.00557 0.03521 0.06358 -0.01289 124 7D+1 -0.05772 -0.05273 -0.04768 -0.02213 -0.03368 125 7D-1 -0.08049 0.01073 0.07197 0.00151 -0.01844 126 7D+2 0.10495 0.05356 0.03598 0.00294 -0.02218 127 7D-2 -0.03230 -0.00783 0.05388 0.00584 0.01475 128 8D 0 -0.00768 -0.00336 0.01339 0.02198 -0.00403 129 8D+1 -0.01758 -0.01945 -0.01464 -0.00810 -0.00990 130 8D-1 -0.02758 0.00656 0.02154 0.00175 -0.00578 131 8D+2 0.03606 0.01678 0.01190 0.00183 -0.00526 132 8D-2 -0.00932 -0.00719 0.01875 0.00310 0.00374 133 7 Cu 1S 0.00109 -0.00014 0.00084 0.00308 0.00469 134 2S -0.20565 0.02826 0.05566 0.08965 0.13737 135 3S 0.08710 -0.01147 0.05546 0.02211 0.03316 136 4PX -0.00673 -0.04196 0.01250 -0.00946 0.02407 137 4PY -0.01935 0.01013 -0.04678 0.00169 -0.00456 138 4PZ 0.00779 0.02981 0.02876 0.02462 0.00975 139 5PX 0.02953 0.09754 -0.02595 0.01662 -0.08489 140 5PY 0.05750 -0.02562 0.11246 -0.02307 -0.01484 141 5PZ -0.00244 -0.07267 -0.06348 -0.08042 -0.04308 142 6PX 0.03247 0.02006 -0.00383 -0.13882 0.03214 143 6PY 0.04799 -0.01071 0.00272 0.00878 -0.02816 144 6PZ 0.02606 -0.02098 -0.00582 0.04323 -0.10737 145 7D 0 0.03760 0.17480 0.09349 -0.01367 0.00897 146 7D+1 -0.08603 -0.06217 0.02739 0.02466 0.01437 147 7D-1 -0.06990 0.01175 0.02014 0.01902 -0.02774 148 7D+2 0.03105 -0.09632 0.14291 -0.01692 -0.01302 149 7D-2 -0.07120 0.05931 -0.03349 -0.03868 0.02630 150 8D 0 0.01261 0.05880 0.03190 -0.00489 0.00308 151 8D+1 -0.02934 -0.02057 0.01102 0.00809 0.00478 152 8D-1 -0.02614 0.00592 0.00503 0.00546 -0.00828 153 8D+2 0.00957 -0.03306 0.04710 -0.00500 -0.00480 154 8D-2 -0.02612 0.01807 -0.01196 -0.01138 0.00809 155 8 Cu 1S -0.00040 -0.00054 -0.00014 -0.00096 0.00210 156 2S -0.20315 -0.26274 -0.14276 0.00733 -0.01000 157 3S -0.07705 -0.10123 -0.08844 -0.03239 0.06616 158 4PX 0.00409 0.00599 0.01466 -0.00930 0.01974 159 4PY -0.00672 0.01489 -0.00509 0.01360 -0.02339 160 4PZ -0.01657 0.00338 0.00443 -0.01016 0.02324 161 5PX 0.01011 0.01059 -0.02997 0.01441 -0.03572 162 5PY 0.02921 -0.03056 0.02175 -0.06254 0.08455 163 5PZ 0.03820 -0.02238 -0.01984 0.02856 -0.09521 164 6PX 0.00046 0.00040 -0.00417 0.04065 -0.08235 165 6PY 0.02142 0.01699 0.00643 0.00484 0.13033 166 6PZ -0.01050 -0.02440 -0.00563 0.10657 -0.06543 167 7D 0 0.06346 -0.03194 -0.03239 -0.01621 -0.04272 168 7D+1 -0.06583 0.07948 -0.01761 -0.02746 0.00711 169 7D-1 -0.01509 -0.01754 0.08457 0.00042 0.00320 170 7D+2 0.01081 -0.04234 0.06448 -0.04092 0.03766 171 7D-2 -0.09143 0.04248 0.01710 -0.00698 -0.02858 172 8D 0 0.02228 -0.01059 -0.01074 -0.00301 -0.01364 173 8D+1 -0.01916 0.02928 -0.00361 -0.00887 0.00246 174 8D-1 -0.00312 -0.00329 0.02772 -0.00074 0.00251 175 8D+2 0.00327 -0.01540 0.02123 -0.01295 0.01420 176 8D-2 -0.03254 0.01076 0.00335 -0.00214 -0.00935 177 9 C 1S -0.00002 0.00006 -0.03254 -0.00013 -0.00009 178 2S 0.00005 -0.00014 0.08123 0.00025 0.00021 179 3S 0.00025 -0.00041 0.11608 0.00079 0.00046 180 4PX 0.05157 0.06321 -0.03017 -0.20415 0.42871 181 4PY 0.05923 -0.02010 0.06236 0.25227 0.26255 182 4PZ 0.03685 -0.05614 -0.05426 0.38723 0.05468 183 5PX 0.02398 0.02964 -0.00640 -0.11512 0.24208 184 5PY 0.02769 -0.00951 0.01365 0.14236 0.14818 185 5PZ 0.01714 -0.02629 -0.01127 0.21846 0.03102 186 10 O 1S -0.00003 0.00001 0.00623 0.00003 0.00003 187 2S 0.00009 -0.00004 -0.02128 -0.00003 -0.00005 188 3S 0.00013 -0.00009 -0.01404 -0.00029 -0.00024 189 4PX -0.05775 -0.07069 0.01900 0.14993 -0.31477 190 4PY -0.06613 0.02238 -0.03994 -0.18515 -0.19267 191 4PZ -0.04138 0.06302 0.03355 -0.28454 -0.04016 192 5PX -0.03653 -0.04477 0.00615 0.10877 -0.22854 193 5PY -0.04188 0.01419 -0.01332 -0.13435 -0.13986 194 5PZ -0.02616 0.03991 0.01056 -0.20652 -0.02921 86 87 88 89 90 V V V V V EIGENVALUES -- -0.07930 -0.07071 -0.07069 -0.04241 -0.03087 1 1 Cu 1S 0.00946 -0.00856 -0.00660 -0.00023 0.00557 2 2S 0.15899 -0.19249 -0.14818 0.02244 0.04596 3 3S 0.08275 -0.17092 -0.13228 0.09441 0.12773 4 4PX -0.02685 -0.01042 0.04617 -0.00291 -0.03496 5 4PY -0.03182 0.02211 0.00751 0.03976 0.02326 6 4PZ -0.02951 0.03647 -0.01090 -0.01487 -0.01954 7 5PX 0.11953 0.01250 -0.21109 0.01314 0.13653 8 5PY 0.13752 -0.09576 -0.03463 -0.17479 -0.08152 9 5PZ 0.13248 -0.18902 0.01328 0.06494 0.08062 10 6PX 0.07992 0.00234 -0.09202 -0.00225 0.20009 11 6PY 0.07257 -0.10402 -0.06335 -0.08102 -0.14367 12 6PZ 0.09264 -0.06868 0.01470 0.02203 0.09689 13 7D 0 0.00398 -0.03575 0.05185 0.02308 0.00418 14 7D+1 0.04779 0.02631 -0.01093 -0.00135 0.02901 15 7D-1 0.03555 -0.00840 0.00280 -0.01904 -0.03182 16 7D+2 -0.01021 0.01769 -0.03121 0.03082 0.00012 17 7D-2 0.03665 -0.00521 0.00667 -0.02618 -0.01163 18 8D 0 0.00161 -0.00957 0.01546 0.00664 0.00098 19 8D+1 0.01515 0.00704 -0.00357 -0.00082 0.00753 20 8D-1 0.01156 -0.00341 -0.00015 -0.00550 -0.00767 21 8D+2 -0.00255 0.00613 -0.00806 0.00904 0.00316 22 8D-2 0.01158 -0.00290 0.00108 -0.00768 -0.00317 23 2 Cu 1S 0.00217 0.00864 -0.00354 -0.00628 0.00021 24 2S -0.08468 0.23270 -0.09568 -0.13883 -0.01645 25 3S 0.27852 -0.05376 0.02306 -0.15940 0.03177 26 4PX -0.03774 -0.03208 0.01364 0.00174 -0.02845 27 4PY -0.02126 -0.00179 0.01839 0.01807 0.04354 28 4PZ 0.02084 0.01496 0.01235 -0.01566 0.00599 29 5PX 0.10718 0.14979 -0.06373 -0.04979 0.11692 30 5PY 0.03540 0.04136 -0.09623 -0.02431 -0.16261 31 5PZ -0.03502 -0.09944 -0.04180 0.01921 0.00495 32 6PX 0.02781 0.08054 -0.03104 -0.03752 -0.09444 33 6PY 0.00383 0.07485 0.01468 -0.01255 0.13748 34 6PZ -0.00690 -0.04062 0.06355 0.01735 -0.04796 35 7D 0 -0.01417 0.01364 0.01877 -0.01576 0.00189 36 7D+1 -0.04245 0.01304 0.06610 -0.01502 -0.02626 37 7D-1 -0.05429 0.04769 -0.02317 0.09385 0.00459 38 7D+2 0.02330 0.00249 0.01685 0.03331 -0.04667 39 7D-2 0.04186 0.03817 0.05201 0.01550 0.00024 40 8D 0 -0.00295 0.00263 0.00284 -0.00529 0.00139 41 8D+1 -0.01119 0.00172 0.01808 -0.00067 -0.00714 42 8D-1 -0.01593 0.01315 -0.00625 0.02595 0.00238 43 8D+2 0.00472 0.00046 0.00309 0.01054 -0.01502 44 8D-2 0.01108 0.01183 0.01301 0.00057 0.00018 45 3 Cu 1S 0.00531 0.00001 -0.00002 0.01497 -0.00018 46 2S 0.07765 0.00018 -0.00043 0.24792 -0.00278 47 3S 0.05652 0.00047 -0.00037 0.39809 -0.00463 48 4PX 0.01122 -0.02008 0.00776 0.02476 0.04337 49 4PY -0.02262 -0.01110 -0.01254 -0.04825 0.03571 50 4PZ 0.02081 -0.00097 -0.01750 0.04751 0.01334 51 5PX -0.03856 0.09548 -0.03690 -0.12045 -0.15301 52 5PY 0.07771 0.05263 0.05959 0.23629 -0.12746 53 5PZ -0.07147 0.00467 0.08330 -0.23002 -0.04628 54 6PX -0.03477 -0.01792 0.00713 -0.09007 -0.24305 55 6PY 0.07010 -0.00978 -0.01181 0.17422 -0.19876 56 6PZ -0.06502 -0.00095 -0.01548 -0.17435 -0.07562 57 7D 0 0.00835 0.01172 -0.04967 0.00028 0.01578 58 7D+1 0.02762 0.00816 0.02685 -0.00222 0.03841 59 7D-1 -0.05532 0.01876 -0.00642 0.00527 0.01779 60 7D+2 -0.02220 -0.05455 -0.00181 0.00282 0.02600 61 7D-2 -0.02952 0.01632 0.02355 0.00329 -0.01275 62 8D 0 0.00265 0.00341 -0.01296 0.00028 0.00520 63 8D+1 0.00873 0.00316 0.00772 -0.00026 0.01144 64 8D-1 -0.01748 0.00575 -0.00206 0.00073 0.00468 65 8D+2 -0.00702 -0.01467 -0.00015 0.00055 0.01181 66 8D-2 -0.00932 0.00403 0.00733 0.00052 -0.00553 67 4 Cu 1S 0.00221 -0.00123 0.00926 -0.00630 0.00011 68 2S -0.08340 -0.03344 0.24936 -0.13965 -0.00156 69 3S 0.27922 0.00830 -0.05782 -0.15912 0.00690 70 4PX 0.02575 0.01703 0.01910 -0.01166 0.04500 71 4PY -0.03260 0.01508 -0.01577 0.02050 0.03259 72 4PZ -0.02452 0.00702 -0.02726 -0.00752 0.00195 73 5PX -0.05649 -0.07292 -0.11159 0.02933 -0.14037 74 5PY 0.06480 -0.07343 0.11230 -0.03873 -0.10650 75 5PZ 0.08201 -0.03005 0.11080 -0.03262 0.00067 76 6PX -0.01348 0.05857 -0.06139 0.02242 0.07368 77 6PY 0.01185 0.02151 0.09496 -0.02215 0.06760 78 6PZ 0.02342 0.00270 0.04859 -0.03179 -0.00801 79 7D 0 -0.00697 0.02606 -0.01765 0.00744 -0.01791 80 7D+1 -0.03072 0.07551 0.00382 -0.03028 -0.03396 81 7D-1 0.02988 0.04699 0.03688 0.06132 -0.02115 82 7D+2 -0.02206 -0.01328 0.01869 0.03802 -0.01853 83 7D-2 -0.06990 -0.01541 0.03627 0.06743 0.01364 84 8D 0 -0.00300 0.00681 -0.00594 0.00611 -0.00533 85 8D+1 -0.00722 0.01910 -0.00019 -0.00746 -0.00935 86 8D-1 0.00674 0.01190 0.01177 0.01412 -0.00586 87 8D+2 -0.00652 -0.00573 0.00481 0.01072 -0.00559 88 8D-2 -0.01962 -0.00295 0.00922 0.02030 0.00419 89 5 Cu 1S -0.00441 -0.00003 -0.00005 0.00842 -0.00005 90 2S -0.18293 -0.00067 -0.00082 0.24065 -0.00194 91 3S 0.18415 0.00164 0.00192 0.00736 -0.00061 92 4PX -0.01195 -0.01637 0.00660 0.00877 -0.01201 93 4PY 0.02431 -0.00893 -0.01049 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6PZ -0.23126 0.14479 -0.17699 -0.29207 -0.13515 57 7D 0 0.03490 0.01159 0.00058 0.00431 0.00172 58 7D+1 -0.00003 0.03701 0.00200 0.01350 0.00546 59 7D-1 -0.01741 0.01498 0.02409 -0.02448 -0.01100 60 7D+2 0.00832 0.00062 -0.01283 -0.00990 -0.00435 61 7D-2 0.03587 0.01284 -0.03387 -0.01295 -0.00587 62 8D 0 0.01454 0.00257 -0.00010 0.00095 0.00051 63 8D+1 -0.00154 0.00779 0.00051 0.00312 0.00155 64 8D-1 -0.00490 0.00318 0.00507 -0.00570 -0.00311 65 8D+2 0.00189 0.00037 -0.00260 -0.00231 -0.00120 66 8D-2 0.01040 0.00264 -0.00718 -0.00302 -0.00167 67 4 Cu 1S 0.00021 0.00103 -0.00223 0.00338 0.00236 68 2S -0.02092 -0.02823 0.05515 -0.00420 0.05532 69 3S 0.03793 -0.14521 0.29176 -0.08283 0.97767 70 4PX -0.01116 0.04484 -0.00360 0.01439 0.00787 71 4PY 0.01561 0.00609 0.04565 -0.00564 -0.00638 72 4PZ -0.04647 0.01163 -0.00495 -0.05304 -0.02087 73 5PX 0.04558 -0.11521 0.09519 -0.08090 -0.02827 74 5PY -0.07685 0.05089 -0.19580 0.07825 0.01608 75 5PZ 0.19319 0.00051 -0.03355 0.15189 0.10261 76 6PX 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0.00687 -0.00165 155 8 Cu 1S 0.00368 -0.00201 -0.00325 -0.00320 -0.00392 156 2S 0.03030 0.05725 0.08692 -0.01172 -0.11647 157 3S 0.08406 0.07385 0.11144 -0.03759 -0.18886 158 4PX -0.00340 -0.02884 -0.04455 -0.00931 -0.02575 159 4PY -0.00927 -0.01388 -0.02363 -0.02001 -0.00550 160 4PZ -0.04882 0.01522 0.02291 0.01960 0.00585 161 5PX 0.00684 0.12570 0.19423 0.05106 0.17843 162 5PY 0.03138 0.07502 0.09033 0.11638 0.02653 163 5PZ 0.18480 -0.04692 -0.10944 -0.11258 -0.02974 164 6PX 0.03123 0.29403 0.45368 0.06946 0.16539 165 6PY 0.06922 0.17497 0.14849 0.25493 -0.12658 166 6PZ 0.29280 -0.05555 -0.23223 -0.24427 0.11794 167 7D 0 0.01773 -0.00088 -0.00250 0.00166 -0.01674 168 7D+1 -0.00861 0.03017 -0.01921 -0.01309 -0.00238 169 7D-1 -0.02579 0.00272 0.00404 -0.04684 -0.01364 170 7D+2 -0.00240 0.00442 0.00280 -0.00627 0.02801 171 7D-2 -0.01815 0.02758 -0.01852 0.01419 0.00059 172 8D 0 0.00753 -0.00250 0.00056 0.00038 -0.00313 173 8D+1 -0.00431 0.00660 -0.00577 -0.00483 0.00172 174 8D-1 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0.03146 194 5PZ 0.12214 -0.03171 0.03987 0.01146 -0.02735 96 97 98 99 100 V V V V V EIGENVALUES -- 0.02283 0.02815 0.02821 0.03040 0.03891 1 1 Cu 1S 0.00000 -0.00144 -0.00037 0.00150 -0.00183 2 2S 0.00003 -0.03384 -0.00941 -0.06316 -0.07835 3 3S 0.00023 -0.28578 -0.08391 -0.72496 -0.79194 4 4PX 0.04641 0.00846 0.01619 0.00477 -0.00114 5 4PY -0.00821 -0.04759 -0.01585 -0.00330 0.02394 6 4PZ -0.03339 0.03118 -0.00099 0.00766 -0.00762 7 5PX -0.21407 -0.02537 -0.07926 0.02756 0.00769 8 5PY 0.03789 0.23518 0.07987 0.09320 -0.06109 9 5PZ 0.15404 -0.13378 0.01468 0.01418 0.02736 10 6PX -0.69883 -0.10677 -0.28762 0.47683 0.28710 11 6PY 0.12430 1.09359 0.36089 0.68306 -0.18209 12 6PZ 0.50181 -0.56167 0.03296 0.48788 0.45430 13 7D 0 -0.00703 0.02164 -0.01234 0.00111 0.01215 14 7D+1 -0.00032 0.01654 0.01117 -0.04156 0.01817 15 7D-1 -0.01825 -0.01616 -0.00724 -0.02998 -0.00759 16 7D+2 0.01256 0.00774 0.01263 0.01589 0.00746 17 7D-2 0.02254 -0.01325 -0.00628 -0.03345 -0.00639 18 8D 0 0.00242 0.00105 -0.00276 -0.00027 0.00484 19 8D+1 -0.00129 0.00039 0.00119 -0.01196 0.00371 20 8D-1 -0.00165 -0.00253 -0.00083 -0.00882 -0.00249 21 8D+2 -0.00042 -0.00127 0.00118 0.00362 0.00506 22 8D-2 0.00293 -0.00125 -0.00130 -0.00941 -0.00326 23 2 Cu 1S 0.00001 -0.00129 0.00116 -0.00304 0.00132 24 2S 0.00003 -0.03303 0.03352 0.02265 -0.04495 25 3S -0.00001 -0.33618 0.35317 0.85857 -0.42234 26 4PX 0.00058 -0.00747 0.00783 0.03980 -0.00846 27 4PY 0.02026 0.00657 -0.01964 0.01746 -0.00794 28 4PZ 0.02118 -0.02007 0.00430 -0.01741 0.00723 29 5PX -0.00274 0.05857 -0.05992 -0.16271 0.07985 30 5PY -0.09984 -0.01026 0.10259 -0.07496 0.01580 31 5PZ -0.10432 0.10319 0.00127 0.07352 -0.01176 32 6PX -0.00265 0.09394 -0.10250 0.05856 0.75489 33 6PY -0.08507 -0.29189 0.16182 0.07378 0.14718 34 6PZ -0.08850 0.16068 -0.27690 -0.07045 -0.17998 35 7D 0 0.00324 0.01294 -0.00008 0.00542 0.01021 36 7D+1 0.05338 -0.00721 -0.01629 0.03099 -0.01421 37 7D-1 -0.00147 -0.04340 0.04189 0.01017 0.05600 38 7D+2 0.00472 -0.01225 0.01833 -0.01075 -0.01138 39 7D-2 0.05115 -0.01729 -0.00771 -0.03086 0.01669 40 8D 0 -0.00107 0.00482 -0.00019 0.00289 0.00212 41 8D+1 0.01308 -0.00195 -0.00390 0.00931 -0.00614 42 8D-1 -0.00027 -0.01021 0.00980 0.00504 0.01523 43 8D+2 0.00009 -0.00418 0.00643 -0.00523 -0.00183 44 8D-2 0.01258 -0.00412 -0.00230 -0.00913 0.00675 45 3 Cu 1S 0.00000 0.00003 0.00005 0.00062 -0.00212 46 2S 0.00009 -0.00143 -0.00201 -0.07590 0.14211 47 3S 0.00031 -0.01530 -0.01985 -0.68180 1.67924 48 4PX -0.00009 0.03488 -0.03269 -0.00539 0.00000 49 4PY 0.00001 0.03312 0.01665 0.01061 0.00009 50 4PZ 0.00007 0.01670 0.03523 -0.01091 0.00023 51 5PX 0.00042 -0.14757 0.13702 0.00274 0.03954 52 5PY -0.00004 -0.13845 -0.06868 -0.00499 -0.07893 53 5PZ -0.00030 -0.07136 -0.14964 0.00822 0.07427 54 6PX 0.00225 -0.33175 0.30153 -0.24381 0.37915 55 6PY -0.00014 -0.30274 -0.14430 0.48709 -0.73268 56 6PZ -0.00073 -0.16444 -0.34247 -0.45044 0.72185 57 7D 0 -0.00002 -0.00561 0.01080 -0.00660 0.00567 58 7D+1 0.00000 -0.02819 -0.00968 -0.01943 0.01335 59 7D-1 0.00001 -0.01520 0.01705 0.03930 -0.02763 60 7D+2 0.00001 0.01422 -0.01215 0.01557 -0.01037 61 7D-2 -0.00008 -0.00844 -0.02604 0.02140 -0.01528 62 8D 0 0.00000 0.00072 0.00622 -0.00234 0.00228 63 8D+1 0.00000 -0.00299 -0.00299 -0.00681 0.00604 64 8D-1 -0.00001 -0.00201 0.00231 0.01368 -0.01225 65 8D+2 0.00000 0.00649 -0.00243 0.00538 -0.00473 66 8D-2 -0.00001 -0.00294 -0.00242 0.00735 -0.00659 67 4 Cu 1S 0.00000 -0.00047 -0.00174 -0.00301 0.00123 68 2S -0.00004 -0.01131 -0.04506 0.02396 -0.04829 69 3S -0.00104 -0.11279 -0.45755 0.87203 -0.46550 70 4PX -0.02409 -0.01402 -0.00609 -0.02379 0.00724 71 4PY -0.01608 -0.00270 0.02026 0.02827 -0.01009 72 4PZ -0.00425 -0.00651 -0.01735 0.02852 -0.00403 73 5PX 0.11887 0.08587 0.00667 0.09946 -0.03226 74 5PY 0.07929 0.03327 -0.08288 -0.11919 0.03329 75 5PZ 0.02085 0.04094 0.10623 -0.11614 0.06897 76 6PX 0.10028 -0.05124 0.19090 -0.06937 -0.34173 77 6PY 0.06591 -0.14888 -0.30182 0.10014 0.33625 78 6PZ 0.01719 0.04978 0.27080 0.01778 0.61482 79 7D 0 -0.01754 -0.00603 -0.00573 0.01428 -0.02912 80 7D+1 -0.05490 -0.00893 0.02087 0.01988 -0.00277 81 7D-1 -0.04043 -0.02144 -0.03269 -0.02928 0.02973 82 7D+2 0.02320 0.01058 -0.02838 0.00508 0.02109 83 7D-2 0.00119 -0.01527 -0.04197 0.02611 0.04048 84 8D 0 -0.00413 -0.00198 -0.00365 0.00226 -0.00861 85 8D+1 -0.01271 -0.00160 0.00618 0.00700 -0.00246 86 8D-1 -0.00976 -0.00540 -0.00848 -0.00886 0.01060 87 8D+2 0.00749 0.00364 -0.00709 0.00221 0.00572 88 8D-2 -0.00057 -0.00399 -0.00946 0.00968 0.00979 89 5 Cu 1S 0.00000 -0.00009 -0.00011 0.00021 0.00616 90 2S -0.00005 -0.00086 -0.00099 0.09057 0.16795 91 3S -0.00117 0.00729 0.01216 2.21748 2.06803 92 4PX -0.00006 0.01391 -0.01244 0.00853 -0.00201 93 4PY 0.00001 0.01269 0.00599 -0.01692 0.00358 94 4PZ 0.00002 0.00693 0.01415 0.01592 -0.00419 95 5PX 0.00048 -0.03422 0.02999 -0.02524 0.02364 96 5PY 0.00000 -0.03097 -0.01442 0.04929 -0.04370 97 5PZ -0.00018 -0.01725 -0.03437 -0.04858 0.04672 98 6PX 0.00160 0.15801 -0.14930 0.02528 -0.72373 99 6PY 0.00020 0.14534 0.07186 -0.05609 1.45986 100 6PZ -0.00060 0.07999 0.17374 0.03858 -1.33214 101 7D 0 -0.00017 -0.00038 -0.03449 -0.00876 0.00439 102 7D+1 0.00001 0.02851 0.01725 -0.02925 0.01676 103 7D-1 -0.00018 0.01992 -0.01682 0.05748 -0.03276 104 7D+2 0.00019 -0.03671 0.01898 0.02280 -0.01345 105 7D-2 0.00008 0.01924 0.02715 0.03016 -0.01721 106 8D 0 -0.00002 0.00088 -0.00373 -0.00152 0.00261 107 8D+1 -0.00001 0.00608 0.00235 -0.00456 0.00901 108 8D-1 -0.00003 0.00380 -0.00335 0.00894 -0.01792 109 8D+2 0.00003 -0.00423 0.00316 0.00344 -0.00727 110 8D-2 0.00002 0.00254 0.00588 0.00466 -0.00959 111 6 Cu 1S 0.00000 0.00042 0.00151 0.00144 -0.00176 112 2S -0.00017 0.00955 0.03576 -0.06444 -0.07599 113 3S -0.00203 0.07200 0.28727 -0.73609 -0.76157 114 4PX -0.04750 -0.01642 -0.00894 0.00515 -0.00228 115 4PY -0.03167 -0.00107 0.03298 -0.00873 0.00943 116 4PZ -0.00837 -0.01411 -0.04567 0.00396 -0.02358 117 5PX 0.21918 0.08245 0.02945 0.02234 0.01257 118 5PY 0.14593 0.01305 -0.14328 -0.00776 -0.03319 119 5PZ 0.03850 0.06980 0.22534 -0.10018 0.06082 120 6PX 0.71546 0.30011 0.12870 0.43352 0.29572 121 6PY 0.47646 0.01931 -0.61729 -0.45822 -0.49756 122 6PZ 0.12522 0.31483 1.06367 -0.74636 0.20624 123 7D 0 0.00763 0.00512 0.01959 -0.01871 -0.01186 124 7D+1 0.02367 -0.00376 -0.01096 0.03370 0.00413 125 7D-1 0.01760 0.00617 0.01299 -0.03144 -0.00652 126 7D+2 -0.01104 -0.01613 0.01602 0.00905 -0.00887 127 7D-2 -0.00014 0.01321 0.01798 0.03828 -0.01717 128 8D 0 0.00083 -0.00021 -0.00027 -0.00412 -0.00684 129 8D+1 0.00290 -0.00090 -0.00107 0.00948 0.00257 130 8D-1 0.00144 0.00071 0.00230 -0.00928 -0.00193 131 8D+2 0.00237 -0.00282 0.00165 0.00264 -0.00215 132 8D-2 -0.00149 0.00168 0.00072 0.01115 -0.00367 133 7 Cu 1S 0.00000 0.00166 0.00041 -0.00306 0.00138 134 2S 0.00003 0.04537 0.01328 0.02153 -0.04242 135 3S -0.00050 0.46964 0.14404 0.84880 -0.38963 136 4PX 0.02360 0.00504 0.01302 -0.02575 0.00866 137 4PY -0.00416 -0.01871 -0.00753 -0.02623 0.00332 138 4PZ -0.01693 0.01835 -0.00405 -0.02907 0.01078 139 5PX -0.11592 -0.00140 -0.08081 0.10767 -0.03852 140 5PY 0.02045 0.11126 0.04696 0.10505 -0.06333 141 5PZ 0.08324 -0.07500 0.04047 0.12181 -0.03413 142 6PX -0.09948 -0.18685 0.05275 -0.06978 -0.37296 143 6PY 0.01790 0.30171 0.06742 -0.01201 -0.58447 144 6PZ 0.07146 -0.28104 -0.14930 -0.09226 -0.38481 145 7D 0 0.01426 -0.02365 0.00752 -0.01214 0.00040 146 7D+1 0.00156 -0.04138 -0.01516 -0.02679 -0.04138 147 7D-1 0.04206 0.03329 0.02162 -0.02776 0.02914 148 7D+2 -0.02791 0.00983 -0.01134 -0.01283 0.03564 149 7D-2 -0.05250 0.02273 -0.00699 -0.01925 0.00306 150 8D 0 0.00515 -0.00706 0.00248 -0.00311 0.00064 151 8D+1 -0.00034 -0.00935 -0.00395 -0.01004 -0.00974 152 8D-1 0.01007 0.00862 0.00536 -0.00842 0.01051 153 8D+2 -0.00756 0.00064 -0.00378 -0.00181 0.01051 154 8D-2 -0.01207 0.00659 -0.00112 -0.00686 0.00259 155 8 Cu 1S 0.00000 0.00112 -0.00103 0.00148 -0.00180 156 2S 0.00034 0.02627 -0.02521 -0.06354 -0.07708 157 3S 0.00278 0.21037 -0.21445 -0.72724 -0.77623 158 4PX 0.00114 -0.02415 0.02341 -0.00030 -0.01924 159 4PY 0.03986 0.01723 -0.03338 -0.00707 0.01193 160 4PZ 0.04168 -0.03199 0.01489 0.00708 -0.01115 161 5PX -0.00494 0.12547 -0.12414 -0.09848 0.04557 162 5PY -0.18377 -0.07038 0.15479 0.01056 -0.03633 163 5PZ -0.19230 0.14906 -0.05825 -0.00943 0.03600 164 6PX -0.01471 0.59869 -0.59900 -0.90834 -0.02583 165 6PY -0.60029 -0.34863 0.64790 -0.23525 -0.41987 166 6PZ -0.62778 0.61981 -0.29207 0.23807 0.41066 167 7D 0 -0.00054 -0.02023 -0.00394 0.02373 0.00451 168 7D+1 -0.02342 0.00634 0.00263 0.02605 -0.00559 169 7D-1 0.00067 0.01893 -0.01687 0.02470 -0.01947 170 7D+2 -0.00152 0.00877 -0.02300 -0.03929 -0.01205 171 7D-2 -0.02235 0.00134 0.00631 -0.02466 0.00554 172 8D 0 -0.00325 -0.00239 -0.00174 0.00631 0.00316 173 8D+1 -0.00162 -0.00056 0.00150 0.00803 -0.00204 174 8D-1 0.00020 0.00169 -0.00128 0.00697 -0.00413 175 8D+2 -0.00193 -0.00046 -0.00212 -0.01056 -0.00638 176 8D-2 -0.00142 0.00137 -0.00074 -0.00765 0.00235 177 9 C 1S 0.00000 -0.00028 -0.00033 -0.00795 0.01682 178 2S -0.00002 0.00080 0.00100 0.04433 -0.02013 179 3S 0.00004 0.00115 0.00092 -0.03683 -0.13955 180 4PX -0.00049 0.13276 -0.12363 -0.00967 -0.00340 181 4PY 0.00002 0.12491 0.06235 0.01884 0.00866 182 4PZ 0.00031 0.06443 0.13514 -0.02053 -0.00436 183 5PX -0.00042 0.09492 -0.08802 0.01494 0.03760 184 5PY 0.00005 0.08844 0.04386 -0.03048 -0.07429 185 5PZ 0.00023 0.04649 0.09733 0.02524 0.07081 186 10 O 1S 0.00000 0.00031 0.00044 -0.00059 -0.02895 187 2S 0.00000 -0.00088 -0.00123 0.00391 0.08676 188 3S 0.00001 -0.00191 -0.00260 -0.00435 0.13789 189 4PX 0.00014 -0.04169 0.03827 0.00279 -0.00393 190 4PY 0.00000 -0.03955 -0.01949 -0.00541 0.00789 191 4PZ -0.00008 -0.02008 -0.04146 0.00590 -0.00698 192 5PX 0.00020 -0.05130 0.04744 -0.00105 0.00661 193 5PY -0.00001 -0.04809 -0.02376 0.00237 -0.01395 194 5PZ -0.00011 -0.02499 -0.05220 -0.00080 0.01163 101 102 103 104 105 V V V V V EIGENVALUES -- 0.04221 0.04223 0.04466 0.04467 0.04948 1 1 Cu 1S 0.00062 -0.00009 0.00093 -0.00054 -0.00045 2 2S 0.09527 -0.01187 -0.09498 0.05608 0.01329 3 3S 0.99989 -0.12652 -1.76442 1.04501 0.38415 4 4PX 0.00469 0.01034 0.01914 -0.00635 0.00671 5 4PY 0.01032 -0.00305 0.00359 -0.00303 -0.03345 6 4PZ 0.00121 -0.00801 0.02099 -0.01600 0.00416 7 5PX -0.07026 0.01720 -0.00971 0.02737 -0.05947 8 5PY -0.06615 0.00636 0.03660 -0.02590 0.15711 9 5PZ -0.08404 0.00395 -0.04226 0.00976 -0.05011 10 6PX -0.36777 0.90151 -0.20042 -1.19217 0.79663 11 6PY -0.58460 -0.08148 -0.16054 0.33701 -2.27646 12 6PZ -0.58286 -0.54116 0.98286 0.35352 0.72214 13 7D 0 0.01690 0.06007 -0.02558 -0.01839 -0.01877 14 7D+1 0.00713 -0.02528 -0.01177 0.02370 -0.01681 15 7D-1 0.01701 0.00371 0.01875 0.00596 0.02489 16 7D+2 0.01097 -0.03578 0.00163 0.00800 -0.02557 17 7D-2 0.00910 0.00909 -0.00776 -0.02819 0.01113 18 8D 0 0.00626 0.01542 -0.00495 0.00102 -0.00307 19 8D+1 0.00607 -0.00682 -0.00896 0.00685 -0.00096 20 8D-1 0.00608 0.00232 0.00038 0.00440 0.00511 21 8D+2 0.00374 -0.01013 -0.00200 -0.00013 -0.00524 22 8D-2 0.00340 0.00018 -0.00495 -0.00385 0.00304 23 2 Cu 1S -0.00095 -0.00122 0.00002 0.00346 0.00169 24 2S -0.13189 -0.17623 0.00007 -0.03366 0.01377 25 3S -1.79064 -2.39739 -0.00153 -0.62849 0.00173 26 4PX 0.01127 0.01520 -0.00067 -0.02027 0.00822 27 4PY -0.00527 0.01310 -0.02418 -0.00795 -0.02917 28 4PZ -0.01470 0.00164 -0.02484 0.00871 0.00246 29 5PX 0.04735 0.06264 0.00415 0.13264 -0.02187 30 5PY 0.09180 -0.00225 0.14775 0.09659 0.10591 31 5PZ 0.03036 -0.08975 0.15096 -0.09937 -0.03517 32 6PX -0.09656 -0.12139 0.03316 2.08783 -1.10638 33 6PY 0.38109 0.26066 0.97230 0.14720 2.95406 34 6PZ -0.12146 -0.43453 1.00474 -0.22524 -0.03126 35 7D 0 -0.00333 0.00089 0.02655 0.00862 0.00525 36 7D+1 -0.01848 0.01110 0.03137 0.02597 0.01942 37 7D-1 -0.00465 -0.00649 -0.00248 0.00419 -0.01762 38 7D+2 -0.00122 0.00315 0.01692 -0.01668 0.00625 39 7D-2 -0.01534 0.01412 0.02853 -0.02668 -0.01445 40 8D 0 -0.00158 0.00222 0.00766 0.00162 0.00112 41 8D+1 -0.00726 0.01000 0.01000 0.00472 0.00221 42 8D-1 -0.00226 -0.00358 -0.00072 -0.00123 -0.00360 43 8D+2 -0.00286 -0.00034 0.00491 -0.00339 0.00202 44 8D-2 -0.01130 0.00385 0.00917 -0.00497 -0.00369 45 3 Cu 1S 0.00002 -0.00003 0.00001 0.00000 -0.00001 46 2S -0.00144 0.00134 -0.00100 -0.00022 0.00135 47 3S -0.01682 0.01536 -0.01680 -0.00357 0.01965 48 4PX -0.00281 -0.00344 -0.00041 0.02544 -0.00877 49 4PY -0.00324 0.00100 -0.01850 0.00662 -0.00902 50 4PZ -0.00219 0.00314 -0.01978 -0.00660 -0.00440 51 5PX 0.05729 0.07315 0.00113 -0.09042 0.05620 52 5PY 0.06908 -0.02266 0.06593 -0.02332 0.05614 53 5PZ 0.04241 -0.06309 0.06960 0.02337 0.02886 54 6PX 0.27493 0.35231 -0.00958 0.13067 -2.13865 55 6PY 0.33959 -0.11278 -0.09355 0.03988 -2.12274 56 6PZ 0.19690 -0.29391 -0.10042 -0.02904 -1.10044 57 7D 0 0.02606 -0.05583 0.00131 0.01299 -0.02366 58 7D+1 0.00363 0.02124 -0.03273 0.01888 -0.02667 59 7D-1 -0.00310 -0.00050 0.00114 0.02888 -0.00730 60 7D+2 0.05423 0.02046 -0.00145 -0.02055 -0.05000 61 7D-2 -0.02245 -0.01178 -0.03146 -0.01711 0.01852 62 8D 0 0.00744 -0.01477 -0.00299 0.00137 -0.00361 63 8D+1 0.00274 0.00559 -0.00722 0.00562 -0.00395 64 8D-1 -0.00003 0.00095 0.00047 0.00674 -0.00111 65 8D+2 0.01429 0.00478 -0.00215 -0.00193 -0.00781 66 8D-2 -0.00542 -0.00479 -0.00680 -0.00543 0.00288 67 4 Cu 1S -0.00064 0.00145 -0.00304 -0.00171 0.00066 68 2S -0.08573 0.20206 0.02976 0.01632 0.00518 69 3S -1.16434 2.74903 0.55496 0.30668 -0.00195 70 4PX -0.01758 0.00437 -0.02442 0.01906 -0.01693 71 4PY -0.00385 -0.01529 0.00268 0.02354 -0.01982 72 4PZ 0.00330 -0.01396 0.01049 0.01159 0.00264 73 5PX 0.05853 0.09032 0.17904 -0.09884 0.03642 74 5PY 0.08479 -0.04897 -0.06508 -0.17032 0.06421 75 5PZ 0.03121 -0.03574 -0.05162 -0.06355 -0.01220 76 6PX 0.07142 0.29167 1.24674 -0.63288 1.93752 77 6PY 0.28282 -0.37165 -0.20171 -1.00664 2.06229 78 6PZ -0.12292 0.35220 -1.50842 -1.07858 -0.32498 79 7D 0 -0.00618 -0.00382 0.00143 -0.01371 0.00892 80 7D+1 -0.02181 -0.00750 0.00168 -0.04686 0.01132 81 7D-1 -0.01537 -0.00620 0.03856 -0.00722 -0.00416 82 7D+2 0.00565 0.00606 0.00343 -0.01014 0.00537 83 7D-2 -0.00219 0.00824 -0.02254 0.00140 -0.00704 84 8D 0 -0.00306 -0.00312 0.00113 -0.00387 0.00138 85 8D+1 -0.01072 -0.00789 0.00273 -0.01334 0.00059 86 8D-1 -0.01069 0.00178 0.00946 -0.00383 -0.00179 87 8D+2 0.00243 0.00286 0.00164 -0.00200 0.00243 88 8D-2 0.00046 0.00183 -0.00335 0.00214 -0.00181 89 5 Cu 1S -0.00001 0.00002 0.00006 0.00000 -0.00003 90 2S -0.00054 0.00067 0.00012 -0.00002 0.00004 91 3S -0.01088 0.01446 -0.01316 0.00192 0.01494 92 4PX -0.00686 -0.00849 0.00004 0.00860 0.02835 93 4PY -0.00814 0.00257 -0.00618 0.00209 0.02785 94 4PZ -0.00508 0.00738 -0.00679 -0.00240 0.01468 95 5PX 0.03656 0.04850 0.00054 -0.09690 -0.14045 96 5PY 0.04732 -0.01591 0.07162 -0.02444 -0.13954 97 5PZ 0.02585 -0.04020 0.07467 0.02521 -0.07204 98 6PX -0.15131 -0.22186 0.00167 -0.27242 -1.83971 99 6PY -0.20521 0.07974 0.18310 -0.06170 -1.80464 100 6PZ -0.10097 0.16744 0.23699 0.08009 -0.96064 101 7D 0 -0.00133 -0.01225 0.00858 -0.00610 -0.01105 102 7D+1 -0.02211 0.00510 0.02681 -0.01984 -0.03150 103 7D-1 -0.01019 -0.01446 -0.00143 -0.02475 -0.01519 104 7D+2 0.01282 0.01242 0.00674 0.00897 -0.00220 105 7D-2 -0.01103 0.01855 0.02576 0.01920 -0.00292 106 8D 0 -0.00173 -0.00318 0.00203 -0.00202 -0.00222 107 8D+1 -0.01035 0.00147 0.00791 -0.00569 -0.00599 108 8D-1 -0.00446 -0.00670 -0.00025 -0.00731 -0.00293 109 8D+2 0.00358 0.00476 0.00168 0.00316 -0.00086 110 8D-2 -0.00407 0.00899 0.00777 0.00540 -0.00042 111 6 Cu 1S -0.00021 0.00054 -0.00092 -0.00054 0.00012 112 2S -0.03712 0.08835 0.09672 0.05424 -0.00403 113 3S -0.38423 0.92308 1.80245 1.01121 -0.11801 114 4PX 0.00887 0.00710 -0.01863 -0.00552 0.02485 115 4PY 0.00739 0.00140 0.02164 0.01555 0.01956 116 4PZ 0.00622 -0.00937 0.00541 0.00393 -0.00479 117 5PX 0.03493 -0.05885 0.01004 0.02828 -0.12551 118 5PY -0.02673 0.07855 -0.04486 -0.01063 -0.11181 119 5PZ -0.02683 0.06629 0.03505 0.02295 0.01796 120 6PX 0.96682 -0.06219 0.20514 -1.21599 1.67937 121 6PY 0.34211 0.67776 0.99352 -0.33584 1.50654 122 6PZ -0.10417 0.63489 -0.13974 -0.30949 -0.29049 123 7D 0 0.00593 -0.01482 -0.01271 0.00178 0.00196 124 7D+1 -0.00331 -0.01075 -0.00786 0.02689 0.03713 125 7D-1 0.00059 0.01970 -0.01574 0.00520 0.02043 126 7D+2 -0.06300 -0.02781 -0.02380 0.02001 -0.02491 127 7D-2 0.03046 0.00230 -0.01064 -0.02542 -0.00255 128 8D 0 0.00285 -0.00525 -0.00395 -0.00018 0.00009 129 8D+1 0.00166 -0.00332 -0.00529 0.00383 0.00681 130 8D-1 0.00073 0.00743 0.00056 0.00451 0.00340 131 8D+2 -0.01612 -0.00857 -0.00386 -0.00097 -0.00450 132 8D-2 0.00922 -0.00327 -0.00857 -0.00663 0.00022 133 7 Cu 1S 0.00151 -0.00018 0.00296 -0.00175 -0.00233 134 2S 0.21882 -0.02687 -0.02977 0.01745 -0.01981 135 3S 2.97004 -0.36473 -0.55114 0.32266 -0.00784 136 4PX 0.00973 -0.01530 0.02499 0.01771 -0.01647 137 4PY 0.01318 0.00098 0.00915 -0.01134 0.02461 138 4PZ 0.01391 0.00851 0.00199 -0.02448 -0.01830 139 5PX 0.07260 0.07816 -0.18309 -0.08941 0.07124 140 5PY 0.03964 -0.02103 -0.04039 0.05974 -0.08949 141 5PZ 0.06938 -0.07113 -0.05938 0.17639 0.09361 142 6PX 0.26193 0.14672 -1.28632 -0.54696 1.45844 143 6PY -0.38173 0.01369 -1.43769 1.08884 -2.75154 144 6PZ 0.41585 -0.18406 -0.21005 1.06141 1.54143 145 7D 0 -0.00247 -0.00384 0.00216 0.01505 0.00493 146 7D+1 -0.00811 -0.00062 -0.02287 0.00134 -0.00785 147 7D-1 -0.00209 -0.01691 -0.03837 -0.00923 0.02943 148 7D+2 0.00291 0.01052 -0.00293 0.00884 0.02682 149 7D-2 0.00109 0.02214 0.00253 0.04597 0.00796 150 8D 0 -0.00034 -0.00146 0.00146 0.00340 0.00082 151 8D+1 -0.00139 -0.00096 -0.00333 -0.00155 -0.00209 152 8D-1 0.00434 -0.01012 -0.00969 -0.00435 0.00480 153 8D+2 0.00307 0.00520 -0.00021 0.00283 0.00587 154 8D-2 0.00454 0.01202 0.00279 0.01306 0.00121 155 8 Cu 1S -0.00034 -0.00049 0.00004 0.00108 0.00033 156 2S -0.05736 -0.07743 -0.00062 -0.11034 -0.01001 157 3S -0.59943 -0.81550 -0.00946 -2.05486 -0.29263 158 4PX 0.00721 0.00876 -0.00023 -0.01756 -0.01927 159 4PY 0.00678 -0.00621 -0.00388 -0.02005 0.02620 160 4PZ 0.00808 -0.00545 -0.00368 0.01976 0.00698 161 5PX -0.06353 -0.08399 0.00053 -0.02206 0.07651 162 5PY -0.02517 -0.04632 -0.01580 0.04468 -0.15186 163 5PZ 0.03798 0.03767 -0.01729 -0.04182 -0.02435 164 6PX -0.47168 -0.66456 0.02112 -0.02470 -1.12851 165 6PY 0.41878 -0.66281 0.97562 -0.63466 2.08528 166 6PZ 0.77899 -0.22913 1.00866 0.57851 0.27641 167 7D 0 -0.05023 0.03649 -0.03626 -0.00530 0.00877 168 7D+1 0.02516 0.00479 -0.01314 0.00268 0.02243 169 7D-1 0.00239 -0.00176 0.00264 0.02639 -0.01696 170 7D+2 -0.02744 0.02136 -0.02178 0.01190 -0.02391 171 7D-2 0.00274 -0.02692 -0.01111 -0.00274 0.02844 172 8D 0 -0.01238 0.00931 -0.00338 0.00051 0.00196 173 8D+1 0.00981 0.00246 -0.00455 0.00609 0.00462 174 8D-1 0.00236 0.00205 0.00041 0.00915 -0.00184 175 8D+2 -0.00696 0.00495 -0.00216 -0.00040 -0.00532 176 8D-2 0.00030 -0.01039 -0.00432 -0.00604 0.00447 177 9 C 1S -0.00007 0.00008 0.00015 -0.00001 -0.00001 178 2S -0.00010 0.00003 -0.00072 0.00002 0.00022 179 3S 0.00135 -0.00110 0.00028 0.00033 -0.00052 180 4PX -0.05296 -0.06673 -0.00149 0.10307 0.07128 181 4PY -0.06265 0.02025 -0.07419 0.02658 0.06962 182 4PZ -0.03959 0.05817 -0.08018 -0.02696 0.03697 183 5PX -0.04584 -0.05597 -0.00193 0.08509 0.07386 184 5PY -0.05132 0.01570 -0.06025 0.02209 0.07028 185 5PZ -0.03534 0.05095 -0.06726 -0.02220 0.03922 186 10 O 1S 0.00018 -0.00018 -0.00017 -0.00003 -0.00023 187 2S -0.00059 0.00059 0.00042 0.00008 0.00071 188 3S -0.00041 0.00049 0.00118 0.00018 0.00087 189 4PX 0.01971 0.02561 -0.00040 0.00848 -0.04509 190 4PY 0.02356 -0.00793 -0.00635 0.00238 -0.04434 191 4PZ 0.01476 -0.02230 -0.00657 -0.00194 -0.02336 192 5PX 0.02342 0.02993 0.00042 -0.02584 -0.03557 193 5PY 0.02795 -0.00924 0.01860 -0.00675 -0.03475 194 5PZ 0.01745 -0.02590 0.02000 0.00674 -0.01851 106 107 108 109 110 V V V V V EIGENVALUES -- 0.04953 0.06115 0.06816 0.07001 0.07011 1 1 Cu 1S -0.00012 -0.00078 0.00135 0.00210 -0.00019 2 2S 0.00287 -0.01290 -0.02448 -0.03235 0.00336 3 3S 0.08523 -0.77897 -0.97867 -1.19875 0.12191 4 4PX -0.02447 -0.00126 0.01920 0.04978 0.01417 5 4PY -0.00371 -0.01135 -0.01768 0.04870 -0.00715 6 4PZ 0.01999 0.00072 0.03014 0.05377 -0.01861 7 5PX 0.12522 0.03574 -0.05633 -0.23170 -0.04676 8 5PY 0.01524 0.10080 0.12578 -0.21918 0.02844 9 5PZ -0.11331 0.02639 -0.10528 -0.25545 0.07235 10 6PX -1.66788 0.33208 -0.01685 0.51060 -0.83518 11 6PY -0.23993 -0.61628 0.99086 -0.11066 0.13591 12 6PZ 1.52871 0.62393 -0.24713 0.87849 0.49450 13 7D 0 -0.02127 -0.02573 0.00412 -0.00608 -0.00297 14 7D+1 -0.00223 0.00534 0.02458 -0.00987 -0.00129 15 7D-1 -0.02177 -0.00193 -0.02614 -0.00158 -0.01733 16 7D+2 0.01548 -0.04554 -0.01733 -0.00259 0.01114 17 7D-2 0.03543 0.01584 -0.00937 0.00188 0.02284 18 8D 0 -0.00392 -0.00406 -0.00259 -0.00059 0.00596 19 8D+1 0.00019 0.00075 0.00137 -0.00734 -0.00237 20 8D-1 -0.00365 0.00301 -0.00719 -0.00311 -0.00274 21 8D+2 0.00267 -0.00602 -0.00782 0.00141 -0.00141 22 8D-2 0.00639 0.00455 -0.00219 -0.00310 0.00619 23 2 Cu 1S -0.00172 0.00090 -0.00124 0.00260 0.00378 24 2S -0.01532 0.09416 0.02403 -0.00771 -0.01357 25 3S -0.01700 1.07894 0.50912 -0.57620 -0.87366 26 4PX -0.00948 -0.00260 -0.04412 0.00376 0.00966 27 4PY 0.00500 -0.00568 0.02605 -0.01753 0.04747 28 4PZ -0.02921 0.00565 -0.02156 -0.05223 0.00243 29 5PX 0.02696 0.00235 0.28623 0.07164 0.07373 30 5PY -0.04457 0.02036 -0.21305 0.18321 -0.26506 31 5PZ 0.10703 -0.02083 0.18072 0.32465 -0.09909 32 6PX 1.24382 0.27865 0.01837 1.23134 1.76798 33 6PY -0.27567 -0.25931 -1.02754 0.36761 0.19969 34 6PZ 2.91381 0.24087 0.96744 -0.02617 -0.49502 35 7D 0 0.00996 0.01907 -0.01238 -0.04471 0.02491 36 7D+1 -0.01322 -0.00158 0.00633 0.00912 0.00260 37 7D-1 0.01793 -0.02840 -0.01671 0.00090 -0.00147 38 7D+2 0.00255 -0.03480 0.02242 -0.01850 0.02309 39 7D-2 0.02091 0.00303 -0.00865 0.00120 -0.01056 40 8D 0 0.00276 0.00409 -0.00132 -0.00661 0.00457 41 8D+1 -0.00341 0.00043 0.00179 0.00063 0.00335 42 8D-1 0.00369 -0.00987 -0.00182 -0.00069 -0.00166 43 8D+2 0.00008 -0.00786 0.00244 -0.00395 0.00242 44 8D-2 0.00265 -0.00018 -0.00196 -0.00280 -0.00192 45 3 Cu 1S 0.00000 -0.00126 -0.00187 -0.00005 0.00004 46 2S 0.00136 -0.05419 0.09577 0.00122 -0.00117 47 3S 0.01819 -0.41476 2.32045 0.03812 -0.03772 48 4PX 0.00901 -0.00447 0.02929 0.01591 0.02073 49 4PY -0.00447 0.00879 -0.05858 0.01845 -0.00477 50 4PZ -0.00896 -0.00866 0.05455 0.01349 -0.01814 51 5PX -0.05632 -0.00527 -0.11262 -0.05785 -0.07502 52 5PY 0.02713 0.01101 0.22470 -0.06618 0.01706 53 5PZ 0.05744 -0.00908 -0.21000 -0.04920 0.06578 54 6PX 2.12030 -0.50885 0.01859 -0.15820 -0.21220 55 6PY -1.00772 1.01907 -0.03333 -0.19243 0.05274 56 6PZ -2.18463 -0.93161 0.07360 -0.13138 0.17946 57 7D 0 -0.05474 -0.00534 -0.00109 -0.00385 -0.00690 58 7D+1 0.01578 -0.01788 -0.00411 -0.02292 0.00231 59 7D-1 0.01189 0.03530 0.00891 -0.00943 -0.01489 60 7D+2 0.00540 0.01418 0.00371 0.00674 0.01058 61 7D-2 -0.02816 0.01878 0.00529 -0.00949 0.01941 62 8D 0 -0.00853 -0.00161 0.00123 0.00247 -0.00790 63 8D+1 0.00252 -0.00507 0.00422 -0.00446 0.00287 64 8D-1 0.00170 0.01006 -0.00816 -0.00261 -0.00305 65 8D+2 0.00088 0.00401 -0.00328 0.00755 0.00494 66 8D-2 -0.00428 0.00534 -0.00420 -0.00469 0.00279 67 4 Cu 1S 0.00232 0.00087 -0.00139 0.00191 -0.00411 68 2S 0.02022 0.09410 0.02420 -0.00552 0.01330 69 3S 0.02100 1.08578 0.53504 -0.42412 0.93639 70 4PX 0.01712 0.00456 -0.00152 -0.05459 -0.00104 71 4PY -0.01893 -0.00691 0.01731 -0.01541 -0.04569 72 4PZ 0.02296 0.00038 -0.05269 -0.01106 0.00159 73 5PX -0.07146 -0.01339 0.04081 0.34731 0.11616 74 5PY 0.09468 0.02217 -0.16390 0.17514 0.19749 75 5PZ -0.08083 -0.00862 0.35955 0.12810 -0.11421 76 6PX -1.55170 0.10185 0.69941 -0.13691 0.94097 77 6PY 1.62672 -0.24972 -1.18759 0.52075 -0.73744 78 6PZ -2.62860 0.37888 0.48570 0.81252 -1.62723 79 7D 0 0.02263 -0.03081 0.02696 0.00368 -0.01414 80 7D+1 0.00774 0.01978 -0.00826 -0.01346 -0.00490 81 7D-1 -0.03035 -0.02151 -0.00382 -0.00136 0.00408 82 7D+2 -0.01063 -0.01298 -0.00478 -0.04741 -0.02226 83 7D-2 -0.00773 -0.02054 -0.01369 0.02167 0.00852 84 8D 0 0.00496 -0.00588 0.00369 -0.00001 -0.00278 85 8D+1 0.00122 0.00501 -0.00039 -0.00348 -0.00352 86 8D-1 -0.00490 -0.00690 -0.00130 -0.00314 0.00264 87 8D+2 -0.00254 -0.00430 -0.00045 -0.00670 -0.00241 88 8D-2 -0.00193 -0.00716 -0.00100 0.00339 0.00153 89 5 Cu 1S -0.00003 -0.00353 -0.00152 -0.00003 0.00004 90 2S -0.00008 -0.15298 -0.04888 -0.00068 0.00090 91 3S 0.00999 -0.53088 -0.98171 -0.01909 0.01859 92 4PX -0.02802 -0.00657 0.00625 -0.03154 -0.04325 93 4PY 0.01313 0.01288 -0.01155 -0.04018 0.01161 94 4PZ 0.02915 -0.01220 0.01309 -0.02540 0.03509 95 5PX 0.13924 0.12556 -0.02396 0.23707 0.32617 96 5PY -0.06618 -0.24979 0.03993 0.30366 -0.08769 97 5PZ -0.14324 0.23252 -0.05468 0.19059 -0.26449 98 6PX 1.78855 -0.80629 0.55161 -0.26511 -0.39017 99 6PY -0.83847 1.60589 -1.08531 -0.37460 0.12123 100 6PZ -1.86594 -1.52865 1.03087 -0.20093 0.29599 101 7D 0 -0.00587 -0.00636 -0.00720 0.02961 -0.05475 102 7D+1 -0.00290 -0.02107 -0.01990 0.00814 0.02182 103 7D-1 0.01753 0.04264 0.04090 0.00001 0.00202 104 7D+2 -0.00942 0.01720 0.01594 0.05387 0.02027 105 7D-2 -0.03029 0.02312 0.02242 -0.01986 -0.01786 106 8D 0 -0.00155 -0.00071 -0.00282 0.00546 -0.00970 107 8D+1 -0.00036 -0.00236 -0.00848 0.00206 0.00400 108 8D-1 0.00325 0.00485 0.01715 0.00055 0.00060 109 8D+2 -0.00170 0.00197 0.00677 0.00969 0.00326 110 8D-2 -0.00582 0.00262 0.00927 -0.00316 -0.00397 111 6 Cu 1S 0.00045 -0.00087 0.00137 -0.00087 0.00191 112 2S -0.01270 -0.01324 -0.02706 0.01258 -0.02775 113 3S -0.38344 -0.77787 -1.03858 0.47482 -1.04050 114 4PX -0.00814 -0.00111 0.02010 -0.00148 0.04856 115 4PY 0.00512 -0.00156 -0.03431 0.03360 -0.04268 116 4PZ -0.03314 0.01149 0.01364 0.02579 -0.04678 117 5PX 0.06538 0.03296 -0.06308 0.02677 -0.22127 118 5PY -0.05397 -0.02114 0.12578 -0.14742 0.21080 119 5PZ 0.15304 -0.10435 -0.10992 -0.11513 0.21480 120 6PX -0.88253 0.33697 0.00395 -0.96182 0.15896 121 6PY 0.77608 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2S 0.00062 0.00029 0.00029 -0.00004 -0.00552 47 3S 0.01327 0.00359 0.00265 -0.00005 0.06384 48 4PX 0.00000 -0.04706 0.05272 -0.00136 0.01641 49 4PY 0.00002 -0.05063 -0.01871 0.00021 -0.03294 50 4PZ 0.00001 -0.03038 -0.05044 0.00107 0.02688 51 5PX 0.01047 0.35010 -0.39403 0.01028 -0.10530 52 5PY -0.00305 0.37806 0.14098 -0.00168 0.21192 53 5PZ -0.00810 0.22540 0.37499 -0.00799 -0.16705 54 6PX -2.06161 -1.29183 1.46360 -0.03348 0.54384 55 6PY 0.51914 -1.37807 -0.50951 0.00447 -1.09655 56 6PZ 1.65326 -0.83591 -1.41081 0.02592 0.87796 57 7D 0 0.02752 -0.00689 -0.01358 0.00028 -0.00480 58 7D+1 -0.01030 -0.00533 0.00507 -0.00013 -0.01337 59 7D-1 0.01119 -0.00172 0.00180 -0.00007 0.02657 60 7D+2 -0.01734 -0.01338 0.00234 -0.00009 0.01034 61 7D-2 -0.00895 0.00433 -0.00717 0.00023 0.01392 62 8D 0 0.00003 -0.00273 -0.00538 0.00011 -0.00111 63 8D+1 0.00001 -0.00212 0.00195 -0.00005 -0.00310 64 8D-1 0.00088 -0.00060 0.00078 -0.00003 0.00613 65 8D+2 -0.00046 -0.00530 0.00099 -0.00003 0.00238 66 8D-2 -0.00120 0.00177 -0.00271 0.00008 0.00316 67 4 Cu 1S -0.00068 -0.00003 0.00001 0.00000 0.00161 68 2S -0.01173 -0.00065 -0.00289 0.00013 -0.02349 69 3S -0.32275 0.01101 -0.01072 0.00264 -0.91898 70 4PX -0.00061 0.01864 0.00360 0.03296 -0.03686 71 4PY -0.00349 0.00193 -0.02360 0.02256 0.05252 72 4PZ -0.00628 0.01345 0.02880 0.00513 0.01049 73 5PX 0.01987 -0.11763 -0.00365 -0.22264 0.23953 74 5PY 0.03594 -0.02531 0.12538 -0.15162 -0.33554 75 5PZ -0.01141 -0.08684 -0.18377 -0.03490 -0.08788 76 6PX 0.15754 1.39980 -0.54708 2.34560 -0.95541 77 6PY -4.14237 0.97027 -0.14837 1.56617 1.51551 78 6PZ 5.98751 0.20744 -0.26154 0.41054 -0.27604 79 7D 0 -0.02383 0.00210 -0.00767 0.01685 0.03949 80 7D+1 0.01257 0.01090 -0.02029 0.05406 0.00551 81 7D-1 -0.01067 0.02486 0.03741 0.03533 -0.03072 82 7D+2 -0.01674 0.01440 0.02442 -0.00588 -0.01024 83 7D-2 -0.00264 0.01235 0.04912 -0.00916 -0.01372 84 8D 0 -0.00025 0.00067 -0.00269 0.00523 0.00961 85 8D+1 -0.00027 0.00342 -0.00629 0.01653 0.00153 86 8D-1 -0.00071 0.00797 0.01127 0.01127 -0.00767 87 8D+2 -0.00185 0.00260 0.00764 -0.00418 -0.00243 88 8D-2 -0.00080 0.00409 0.01392 -0.00184 -0.00311 89 5 Cu 1S -0.00009 0.00016 0.00021 -0.00001 -0.00491 90 2S -0.00042 0.00382 0.00526 -0.00019 -0.12761 91 3S -0.01220 -0.01050 -0.00518 -0.00039 -0.33619 92 4PX -0.01380 -0.03218 0.03579 -0.00095 0.01335 93 4PY 0.00329 -0.03406 -0.01237 0.00015 -0.02701 94 4PZ 0.01136 -0.02100 -0.03481 0.00074 0.02231 95 5PX 0.06524 0.17295 -0.19402 0.00560 -0.09231 96 5PY -0.01362 0.18490 0.06786 -0.00102 0.18486 97 5PZ -0.05652 0.11226 0.18768 -0.00431 -0.15950 98 6PX 6.30988 -0.90217 1.07664 -0.01727 -0.62266 99 6PY -1.59845 -1.06216 -0.44693 0.00747 1.28186 100 6PZ -5.04113 -0.54486 -0.91676 0.01192 -1.16998 101 7D 0 -0.00826 -0.00714 0.01881 -0.00034 -0.01378 102 7D+1 0.00314 -0.04577 -0.00872 0.00003 -0.05003 103 7D-1 0.00161 -0.02533 0.02546 -0.00043 0.09723 104 7D+2 0.00278 0.01932 -0.02374 0.00045 0.03872 105 7D-2 -0.00401 -0.01940 -0.04340 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7D 0 0.02515 0.01491 0.00972 0.00129 -0.01249 146 7D+1 -0.01072 0.04953 0.00333 -0.00723 0.01681 147 7D-1 0.00605 -0.03944 -0.01876 -0.03794 -0.03222 148 7D+2 -0.01721 -0.01879 0.00093 0.01792 -0.04188 149 7D-2 0.00225 -0.02107 0.01551 0.05150 -0.00567 150 8D 0 0.00245 0.00434 0.00130 -0.00170 -0.00317 151 8D+1 -0.00116 0.01411 0.00144 -0.00141 0.00389 152 8D-1 0.00029 -0.01201 -0.00613 -0.01196 -0.00815 153 8D+2 -0.00139 -0.00617 0.00111 0.00672 -0.01036 154 8D-2 0.00046 -0.00648 0.00477 0.01562 -0.00150 155 8 Cu 1S -0.00122 -0.00114 0.00109 -0.00004 0.00492 156 2S -0.02461 0.00600 -0.01267 0.00021 0.07993 157 3S -0.44001 0.30956 -0.42378 0.01297 0.87757 158 4PX 0.01057 0.03969 -0.04836 -0.00015 0.02468 159 4PY 0.00145 -0.01975 0.05036 -0.05646 -0.02579 160 4PZ -0.00212 0.04425 -0.02793 -0.05692 0.02548 161 5PX -0.04266 -0.31225 0.38587 0.00136 -0.25071 162 5PY -0.00386 0.15966 -0.39926 0.44019 0.20553 163 5PZ 0.01078 -0.34949 0.22470 0.44289 -0.20157 164 6PX 2.41035 -0.01622 -0.03842 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-0.20033 0.56153 9 5PZ -0.22122 -0.03268 -0.04947 -0.55997 -0.84190 10 6PX 3.33340 -1.01209 -0.38420 -1.35440 0.23968 11 6PY -0.23156 3.98848 -0.40721 0.30909 -0.59783 12 6PZ -2.62248 -1.68980 -0.01798 1.01095 0.48882 13 7D 0 -0.02239 -0.01358 0.00927 0.04483 0.03932 14 7D+1 0.00902 0.00154 -0.02452 -0.01659 0.02892 15 7D-1 0.00033 -0.00439 -0.01447 -0.00299 0.03949 16 7D+2 0.00747 -0.02930 0.01039 -0.02254 0.06019 17 7D-2 -0.00653 0.00813 -0.01520 0.02246 0.01096 18 8D 0 -0.00847 -0.00392 0.00155 0.00607 0.01063 19 8D+1 0.00258 -0.00350 -0.00564 -0.00177 0.01086 20 8D-1 -0.00218 0.00279 -0.00343 0.00091 0.00931 21 8D+2 0.00479 -0.00526 0.00263 -0.00386 0.01384 22 8D-2 0.00118 0.00314 -0.00428 0.00189 0.00334 23 2 Cu 1S -0.00064 0.00047 -0.00668 -0.00862 -0.00736 24 2S -0.01442 0.01047 -0.07547 -0.09711 -0.10202 25 3S -0.33331 0.23692 -1.35882 -1.74250 -2.28515 26 4PX -0.02233 0.01510 0.02754 0.03538 0.00116 27 4PY 0.00764 -0.03415 0.01036 0.02073 -0.01787 28 4PZ -0.03392 -0.00591 -0.01803 -0.01530 0.01754 29 5PX 0.18348 -0.12414 -0.24446 -0.31765 -0.15136 30 5PY -0.06298 0.28432 -0.03690 -0.24493 0.30137 31 5PZ 0.28180 0.04919 0.23492 0.09414 -0.29252 32 6PX -4.10122 2.76239 1.45277 1.85884 0.22803 33 6PY 0.97763 -6.36109 0.64668 0.60796 0.44770 34 6PZ -6.16529 -1.50331 -0.45015 -0.81213 -0.41952 35 7D 0 -0.01170 -0.00766 0.02998 -0.04071 -0.02824 36 7D+1 0.00844 0.00896 -0.00502 -0.07326 -0.02579 37 7D-1 -0.00384 0.00271 -0.00591 -0.00180 -0.05605 38 7D+2 0.00281 -0.01045 0.04032 0.00246 0.04580 39 7D-2 0.00494 0.01113 0.06799 0.02561 0.02225 40 8D 0 0.00154 0.00060 0.00485 -0.00985 -0.00640 41 8D+1 0.00103 0.00364 0.00042 -0.02073 -0.01111 42 8D-1 -0.00097 0.00041 -0.00173 -0.00075 -0.02400 43 8D+2 -0.00070 0.00171 0.01063 0.00325 0.00957 44 8D-2 0.00306 0.00192 0.01968 0.00528 0.01027 45 3 Cu 1S 0.00000 -0.00001 -0.00002 0.00002 -0.01257 46 2S 0.00019 0.00001 -0.00007 0.00002 -0.01929 47 3S 0.00343 0.00261 0.00051 -0.00102 0.94910 48 4PX 0.03596 -0.02645 -0.05738 -0.07046 -0.00508 49 4PY -0.01005 -0.03305 -0.06680 0.02318 0.01038 50 4PZ -0.02971 -0.02088 -0.04024 0.06198 -0.00939 51 5PX -0.28689 0.21117 0.59307 0.72866 0.07141 52 5PY 0.08022 0.26348 0.69033 -0.23971 -0.14452 53 5PZ 0.23685 0.16678 0.41575 -0.64077 0.13226 54 6PX -3.33709 2.49574 -0.80446 -0.99128 0.12088 55 6PY 0.93064 3.11376 -0.93629 0.32616 -0.23852 56 6PZ 2.75902 1.97270 -0.56431 0.87165 0.23785 57 7D 0 -0.03300 -0.01430 0.01532 -0.04076 0.00153 58 7D+1 0.01261 0.00500 -0.00594 0.01563 0.00512 59 7D-1 -0.00461 0.00482 -0.00624 -0.00567 -0.00999 60 7D+2 0.01555 -0.03225 0.03961 0.01726 -0.00397 61 7D-2 -0.00090 0.01539 -0.01865 -0.00003 -0.00515 62 8D 0 -0.01116 -0.00671 0.00184 -0.00457 -0.00016 63 8D+1 0.00432 -0.00434 -0.00027 0.00174 -0.00043 64 8D-1 0.00222 -0.00081 -0.00052 -0.00041 0.00097 65 8D+2 0.00318 -0.01080 0.00445 0.00180 0.00038 66 8D-2 -0.00584 0.00344 -0.00199 -0.00038 0.00057 67 4 Cu 1S 0.00072 0.00034 -0.00409 0.01011 -0.00747 68 2S 0.01610 0.00743 -0.04621 0.11408 -0.10257 69 3S 0.36711 0.16574 -0.83136 2.05152 -2.27231 70 4PX 0.01940 -0.02182 -0.01618 0.02510 0.01187 71 4PY -0.01291 -0.02639 0.00999 -0.03454 -0.02017 72 4PZ 0.03604 0.01102 0.01060 -0.02848 0.00983 73 5PX -0.16177 0.18126 0.23636 -0.19575 -0.15657 74 5PY 0.10752 0.21997 -0.03533 0.34569 0.30557 75 5PZ -0.29707 -0.09062 -0.07717 0.25547 -0.28730 76 6PX 3.54562 -4.41213 -0.35473 1.29970 -0.35265 77 6PY -1.98267 -4.94774 0.67206 -1.38245 0.53310 78 6PZ 6.50675 1.91453 0.68180 -1.60610 0.00369 79 7D 0 -0.00993 -0.00155 0.00752 0.02934 0.02840 80 7D+1 0.00035 0.00799 0.03972 0.06329 -0.03520 81 7D-1 -0.00306 0.00739 0.05729 -0.04910 0.02103 82 7D+2 0.00907 -0.01652 0.02395 0.01317 -0.02092 83 7D-2 0.00128 0.00707 -0.03519 0.02706 -0.06502 84 8D 0 0.00167 0.00217 0.00311 0.00613 0.00266 85 8D+1 -0.00200 0.00363 0.01106 0.01819 -0.00959 86 8D-1 -0.00136 0.00239 0.01675 -0.01305 0.00540 87 8D+2 0.00067 -0.00017 0.00260 0.00198 -0.00954 88 8D-2 0.00149 -0.00006 -0.00822 0.00813 -0.02678 89 5 Cu 1S 0.00001 -0.00001 0.00005 0.00000 0.00201 90 2S -0.00038 -0.00070 0.00054 0.00002 0.13779 91 3S -0.00101 -0.00150 0.01666 -0.01232 5.11898 92 4PX -0.02002 0.01507 -0.00456 -0.00616 -0.01019 93 4PY 0.00554 0.01885 -0.00545 0.00210 0.01986 94 4PZ 0.01658 0.01189 -0.00328 0.00544 -0.01981 95 5PX 0.16451 -0.12347 0.14072 0.17926 0.33243 96 5PY -0.04564 -0.15543 0.16387 -0.05898 -0.65833 97 5PZ -0.13586 -0.09710 0.10098 -0.16039 0.62569 98 6PX -4.14895 3.12649 0.44055 0.52473 -0.93362 99 6PY 1.15191 3.91249 0.51356 -0.17237 1.83492 100 6PZ 3.41836 2.45881 0.30312 -0.45418 -1.78111 101 7D 0 -0.00445 -0.00693 0.00004 0.03760 0.01059 102 7D+1 0.00180 -0.01560 0.05149 -0.01619 0.03761 103 7D-1 0.00973 -0.00594 0.02545 0.03328 -0.07491 104 7D+2 -0.00356 -0.00380 -0.03804 -0.03172 -0.03037 105 7D-2 -0.01507 -0.00282 0.02877 -0.04258 -0.04023 106 8D 0 -0.00054 -0.00202 0.00177 0.00474 0.00756 107 8D+1 0.00024 -0.00573 0.01224 -0.00233 0.02598 108 8D-1 0.00366 -0.00228 0.00558 0.00784 -0.05196 109 8D+2 -0.00177 -0.00038 -0.00502 -0.00600 -0.02101 110 8D-2 -0.00540 -0.00149 0.00506 -0.01075 -0.02796 111 6 Cu 1S -0.00061 -0.00029 0.00321 -0.00801 -0.00363 112 2S -0.01109 -0.00510 0.01299 -0.03253 0.00592 113 3S -0.16279 -0.07301 0.02313 -0.06420 0.45433 114 4PX -0.01760 0.03149 -0.06540 -0.03312 0.02802 115 4PY -0.00287 0.02517 -0.04496 -0.01904 -0.05108 116 4PZ -0.01403 0.00031 -0.02571 0.02991 0.03625 117 5PX 0.14248 -0.27468 0.70987 0.38301 -0.49407 118 5PY 0.03377 -0.21195 0.50161 0.18861 0.86737 119 5PZ 0.13429 0.00383 0.29572 -0.36373 -0.50403 120 6PX 2.11376 -2.88377 -1.25995 -0.69854 0.24267 121 6PY -0.93761 -3.00584 -0.93883 -0.23422 -0.49299 122 6PZ 3.72981 1.03782 -0.40526 0.34436 0.55089 123 7D 0 -0.02861 -0.01450 0.00151 -0.01559 -0.06682 124 7D+1 0.00821 -0.00310 -0.02355 0.00986 -0.01431 125 7D-1 0.00574 0.00286 0.00303 -0.01435 0.04528 126 7D+2 0.01068 -0.02043 -0.04775 -0.01399 -0.00385 127 7D-2 -0.00216 0.01034 0.01376 0.02776 -0.02676 128 8D 0 -0.00640 -0.00221 0.00124 -0.00344 -0.01632 129 8D+1 0.00195 0.00236 -0.00247 0.00378 -0.00411 130 8D-1 -0.00295 0.00155 0.00205 -0.00313 0.01101 131 8D+2 0.00215 -0.00927 -0.00697 -0.00149 -0.00243 132 8D-2 -0.00443 0.00177 0.00083 0.00581 -0.01025 133 7 Cu 1S -0.00007 -0.00082 0.01075 -0.00151 -0.00727 134 2S -0.00163 -0.01807 0.12139 -0.01698 -0.10133 135 3S -0.03941 -0.41219 2.18305 -0.30447 -2.28441 136 4PX 0.02614 -0.01082 0.02998 -0.00959 0.01154 137 4PY -0.00109 0.03875 0.02784 -0.00291 -0.01098 138 4PZ -0.02144 -0.01901 0.03657 -0.00115 0.01894 139 5PX -0.21755 0.09089 -0.26359 0.18032 -0.15060 140 5PY 0.00943 -0.32007 -0.24399 0.00867 0.30303 141 5PZ 0.17834 0.15883 -0.34977 -0.05530 -0.28821 142 6PX 5.15616 -1.82235 1.42336 -0.03186 -0.38471 143 6PY -0.26901 6.97069 1.62020 -0.25567 0.02873 144 6PZ -4.13566 -3.14404 1.54059 -0.33380 -0.53733 145 7D 0 -0.01604 -0.00232 -0.02213 -0.02816 0.00284 146 7D+1 0.00553 0.00367 -0.03883 0.02503 0.06852 147 7D-1 -0.00790 0.00123 -0.05683 0.04630 0.02001 148 7D+2 0.01098 -0.00982 -0.02612 0.00064 -0.03047 149 7D-2 0.00638 0.00343 -0.05045 -0.05379 0.03472 150 8D 0 0.00020 0.00159 -0.00447 -0.00421 0.00603 151 8D+1 -0.00042 0.00135 -0.01099 0.00551 0.02778 152 8D-1 -0.00297 0.00041 -0.01556 0.01371 0.00439 153 8D+2 0.00160 0.00169 -0.00565 -0.00245 -0.00556 154 8D-2 0.00397 -0.00080 -0.01464 -0.01490 0.00888 155 8 Cu 1S 0.00056 -0.00040 0.00526 0.00682 -0.00368 156 2S 0.01014 -0.00707 0.02129 0.02769 0.00492 157 3S 0.14797 -0.10192 0.03818 0.06006 0.45506 158 4PX 0.00782 -0.00478 -0.02340 -0.02772 0.01436 159 4PY 0.01027 0.02993 -0.04347 0.04433 -0.04871 160 4PZ 0.02502 0.02083 -0.05469 0.03387 0.04686 161 5PX -0.08273 0.05238 0.28390 0.34160 -0.13075 162 5PY -0.09231 -0.25425 0.48344 -0.47877 0.80476 163 5PZ -0.21013 -0.18214 0.59326 -0.37982 -0.77511 164 6PX -2.37220 1.60332 -0.33851 -0.38909 0.33500 165 6PY 0.30816 -3.84654 -0.96324 0.72829 -0.51722 166 6PZ -3.64585 -1.15937 -0.96606 0.78994 0.50155 167 7D 0 -0.02413 -0.01021 -0.04800 0.01958 0.01496 168 7D+1 0.01182 -0.00523 -0.00560 -0.00956 -0.05670 169 7D-1 -0.00531 0.00491 -0.00703 -0.01291 -0.00126 170 7D+2 0.01084 -0.02342 -0.00820 0.03669 -0.02291 171 7D-2 -0.01024 0.01109 0.00855 0.00575 0.06015 172 8D 0 -0.00709 -0.00405 -0.00710 0.00117 0.00324 173 8D+1 0.00393 0.00244 -0.00046 -0.00310 -0.01482 174 8D-1 0.00323 -0.00201 -0.00196 -0.00293 -0.00403 175 8D+2 0.00268 -0.00690 0.00068 0.00690 -0.00490 176 8D-2 0.00081 0.00471 0.00298 0.00091 0.01569 177 9 C 1S -0.00004 -0.00001 0.00016 -0.00008 0.06862 178 2S -0.00007 -0.00017 -0.00034 0.00017 -0.15477 179 3S 0.00210 0.00196 -0.00186 0.00087 -1.16854 180 4PX 0.00410 -0.00328 -0.00080 0.00029 0.02891 181 4PY -0.00089 -0.00369 -0.00077 -0.00036 -0.05965 182 4PZ -0.00335 -0.00242 -0.00007 -0.00073 0.05053 183 5PX 0.03815 -0.02860 -0.01650 -0.02336 0.31762 184 5PY -0.01064 -0.03686 -0.02216 0.00944 -0.63637 185 5PZ -0.03079 -0.02165 -0.01090 0.01818 0.58715 186 10 O 1S -0.00009 -0.00014 0.00004 -0.00006 0.00282 187 2S 0.00035 0.00054 -0.00002 0.00006 0.01951 188 3S 0.00000 -0.00006 -0.00092 0.00128 -0.21142 189 4PX 0.01612 -0.01366 0.00133 0.00100 -0.00253 190 4PY -0.00407 -0.01652 0.00133 -0.00008 0.00691 191 4PZ -0.01308 -0.01035 0.00076 -0.00086 -0.00215 192 5PX 0.00052 -0.00015 0.00055 0.00043 -0.04229 193 5PY -0.00052 -0.00102 0.00063 -0.00002 0.08482 194 5PZ 0.00011 0.00010 0.00030 -0.00040 -0.07762 126 127 128 129 130 V V V V V EIGENVALUES -- 0.21416 0.22814 0.22851 0.24398 0.24922 1 1 Cu 1S 0.00525 -0.00021 -0.00198 -0.00001 0.00230 2 2S 0.02735 0.00000 -0.00290 0.00005 -0.00009 3 3S -2.85847 0.07131 0.56163 0.00301 -0.39072 4 4PX -0.01512 0.04226 -0.01145 0.02397 0.00295 5 4PY 0.00712 -0.00178 0.04180 -0.00424 -0.01270 6 4PZ -0.02220 -0.03336 -0.01315 -0.01711 0.00279 7 5PX 0.41311 -0.91244 0.23477 -0.72797 -0.14995 8 5PY 0.23461 0.02275 -1.01511 0.12957 0.43800 9 5PZ 0.50399 0.72184 0.29190 0.52041 -0.07721 10 6PX 0.50904 0.79363 -0.28596 1.36684 0.59050 11 6PY 0.20817 -0.02123 0.82736 -0.24628 -0.71354 12 6PZ 0.66916 -0.65039 -0.35294 -0.98032 0.02433 13 7D 0 -0.02734 -0.08119 -0.04896 -0.08665 -0.00449 14 7D+1 -0.00414 0.01289 -0.05731 0.03701 0.00857 15 7D-1 -0.01111 -0.04629 0.06575 0.00637 0.01028 16 7D+2 -0.04707 0.05729 -0.05202 0.04119 0.05504 17 7D-2 0.00802 0.05960 0.04452 -0.03394 -0.03422 18 8D 0 0.00729 -0.02821 -0.01444 -0.02963 0.00425 19 8D+1 -0.00231 0.00899 -0.00392 0.01107 0.00318 20 8D-1 0.00162 -0.00635 0.00547 -0.00690 -0.00512 21 8D+2 0.01331 0.01268 -0.02871 0.01853 0.01701 22 8D-2 -0.00390 0.00381 0.01230 0.00056 -0.00533 23 2 Cu 1S 0.01928 -0.00194 0.00152 -0.00009 0.00305 24 2S 0.10261 -0.01201 0.00897 -0.00058 0.00784 25 3S 1.31252 0.43287 -0.34442 0.00084 -0.50499 26 4PX -0.00141 -0.03726 0.02769 -0.00161 -0.03557 27 4PY 0.01426 0.00257 -0.06597 -0.06382 0.04794 28 4PZ -0.01380 -0.06310 -0.01599 -0.06598 -0.00778 29 5PX 0.08483 0.52972 -0.39495 0.03102 0.77083 30 5PY -0.34016 -0.09445 0.99086 1.29560 -0.93355 31 5PZ 0.32447 0.95862 0.18589 1.34172 0.05398 32 6PX -0.16579 -0.83777 0.63450 -0.06906 -1.09084 33 6PY 0.13751 0.14369 -1.13330 -2.71664 1.78728 34 6PZ -0.15023 -1.11841 -0.17329 -2.80906 -0.34725 35 7D 0 0.01616 0.03001 0.02035 0.06166 0.00601 36 7D+1 0.00766 0.00742 0.04144 -0.03989 0.00263 37 7D-1 0.00911 0.04532 -0.03850 -0.00162 -0.01794 38 7D+2 -0.02808 0.00345 0.02585 0.03375 -0.05076 39 7D-2 -0.00659 0.03950 0.01298 -0.04021 0.02044 40 8D 0 0.00680 0.01292 0.00621 0.02468 0.00309 41 8D+1 -0.00069 -0.00094 0.00859 -0.01631 0.00731 42 8D-1 0.00161 0.00961 -0.00852 -0.00067 -0.00483 43 8D+2 -0.01147 -0.00270 0.01207 0.01356 -0.01871 44 8D-2 0.00132 0.00904 -0.00011 -0.01634 0.01059 45 3 Cu 1S 0.00167 0.00008 0.00003 -0.00003 0.00034 46 2S 0.00070 0.00068 0.00024 0.00006 -0.00080 47 3S -0.96229 -0.00039 0.00256 0.00739 -0.10213 48 4PX 0.00631 -0.03788 0.03127 0.00019 -0.01739 49 4PY -0.01265 0.01254 0.03632 0.00017 0.01512 50 4PZ 0.01110 0.03313 0.02164 -0.00010 0.02807 51 5PX -0.07832 0.75420 -0.62457 -0.00428 0.49442 52 5PY 0.15659 -0.24881 -0.72436 -0.00434 -0.43609 53 5PZ -0.13076 -0.66135 -0.43300 0.00179 -0.78517 54 6PX 0.06161 -0.85296 0.70231 0.01037 -0.76336 55 6PY -0.13704 0.27905 0.81192 0.00176 0.70422 56 6PZ 0.07955 0.74990 0.48681 -0.00075 1.13061 57 7D 0 -0.00135 -0.07841 -0.05605 0.00008 -0.10689 58 7D+1 -0.00844 0.02662 -0.07381 0.00002 0.03875 59 7D-1 0.01610 0.04075 -0.02474 0.00015 -0.00474 60 7D+2 0.00681 0.00389 -0.07469 -0.00060 0.00753 61 7D-2 0.00871 -0.07861 0.01497 0.00010 0.01187 62 8D 0 0.00013 -0.02655 -0.01389 0.00001 -0.03962 63 8D+1 -0.00141 0.00970 -0.00847 -0.00006 0.00766 64 8D-1 0.00252 0.00375 -0.00117 -0.00005 0.00538 65 8D+2 0.00114 0.00707 -0.02583 -0.00020 -0.00267 66 8D-2 0.00138 -0.01120 0.00928 0.00009 -0.01180 67 4 Cu 1S 0.01933 0.00235 0.00089 0.00004 -0.00458 68 2S 0.10309 0.01393 0.00527 0.00015 -0.00420 69 3S 1.33821 -0.50850 -0.20458 -0.00904 1.21214 70 4PX -0.00960 0.03449 -0.04989 0.07549 0.01272 71 4PY 0.01659 -0.01905 -0.05075 0.05064 -0.04410 72 4PZ -0.00939 0.06196 0.01408 0.01326 0.08716 73 5PX 0.21070 -0.53789 0.69773 -1.53464 -0.14474 74 5PY -0.38120 0.34628 0.75779 -1.02849 0.73723 75 5PZ 0.26257 -0.91381 -0.21372 -0.26846 -1.78875 76 6PX -0.06334 0.54515 -0.79163 3.21679 0.67683 77 6PY 0.16257 -0.37815 -0.83487 2.15724 -1.84855 78 6PZ -0.29885 1.31037 0.35394 0.56400 2.84833 79 7D 0 -0.02176 0.02650 0.02751 0.00689 0.07864 80 7D+1 0.01911 -0.01472 0.04896 0.01573 -0.03435 81 7D-1 -0.01459 -0.04463 0.01503 0.02540 0.02278 82 7D+2 0.00264 -0.02635 0.00630 -0.08016 0.01899 83 7D-2 0.01517 -0.03268 -0.03028 0.02847 0.02823 84 8D 0 -0.01198 0.01276 0.00870 0.00290 0.02819 85 8D+1 0.00629 -0.00590 0.00974 0.00666 -0.01481 86 8D-1 -0.00334 -0.00861 0.00258 0.01046 0.01024 87 8D+2 -0.00008 -0.00769 0.00723 -0.03225 0.00584 88 8D-2 0.00205 -0.00614 -0.00886 0.01139 0.00637 89 5 Cu 1S -0.05664 -0.00017 -0.00003 -0.00005 -0.00025 90 2S -0.36533 -0.00064 0.00019 -0.00048 -0.00085 91 3S 5.84944 0.03814 0.01905 -0.01095 0.09978 92 4PX 0.02031 -0.05579 0.04460 -0.00067 0.05460 93 4PY -0.04003 0.01872 0.05223 -0.00009 -0.05036 94 4PZ 0.03855 0.04961 0.03129 0.00015 -0.08241 95 5PX 0.46080 0.92745 -0.73750 0.01184 -0.99008 96 5PY -0.93438 -0.31889 -0.86795 0.00146 0.91102 97 5PZ 0.83481 -0.81387 -0.51704 -0.00157 1.49855 98 6PX -0.85896 -0.45710 0.32512 -0.01364 1.41691 99 6PY 1.74813 0.16941 0.39396 -0.00404 -1.29092 100 6PZ -1.54125 0.39887 0.23328 0.00291 -2.13990 101 7D 0 0.00152 0.01471 -0.01038 0.00019 -0.06133 102 7D+1 -0.00016 -0.00743 -0.05295 -0.00026 0.01624 103 7D-1 0.00036 0.03268 -0.02461 -0.00011 0.00404 104 7D+2 0.00108 -0.02373 0.01501 -0.00029 -0.00030 105 7D-2 0.00043 -0.04757 -0.01940 0.00018 -0.00698 106 8D 0 0.00703 0.00541 -0.00218 0.00004 -0.02217 107 8D+1 0.02399 -0.00239 -0.01426 -0.00003 0.00502 108 8D-1 -0.04808 0.00869 -0.00704 -0.00007 0.00232 109 8D+2 -0.01947 -0.00717 0.00535 -0.00011 -0.00096 110 8D-2 -0.02587 -0.01316 -0.00601 0.00005 -0.00483 111 6 Cu 1S 0.00464 0.00188 0.00081 -0.00013 -0.00392 112 2S 0.02604 0.00273 0.00136 -0.00055 -0.00116 113 3S -2.85447 -0.54606 -0.21329 0.00972 0.54258 114 4PX -0.01438 0.02221 -0.03880 -0.02436 -0.00436 115 4PY 0.02269 -0.00698 -0.03484 -0.01639 0.01309 116 4PZ -0.00453 0.04060 0.00786 -0.00423 -0.02406 117 5PX 0.38846 -0.46934 0.84518 0.74007 0.14549 118 5PY -0.50573 0.16402 0.75977 0.49967 -0.45287 119 5PZ -0.29000 -0.98430 -0.21310 0.12905 0.84274 120 6PX 0.50410 0.49846 -0.70711 -1.40083 -0.26006 121 6PY -0.69754 -0.25394 -0.69959 -0.93636 0.79669 122 6PZ -0.21200 0.82169 0.16329 -0.24189 -1.36887 123 7D 0 0.05182 -0.07693 -0.00915 -0.00720 0.11285 124 7D+1 -0.00559 0.02119 0.07082 -0.03060 -0.02644 125 7D-1 -0.01444 -0.06907 0.03168 -0.00216 -0.01295 126 7D+2 0.00036 0.00225 -0.09755 -0.09468 -0.00070 127 7D-2 0.00452 -0.06202 0.00218 0.04329 -0.00825 128 8D 0 -0.01570 -0.03188 -0.01075 0.00146 0.03644 129 8D+1 0.00404 0.00905 0.00735 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0.02632 13 7D 0 0.06438 0.01481 -0.01279 0.02208 0.03375 14 7D+1 -0.01455 -0.04794 -0.00690 0.06777 0.01922 15 7D-1 0.00069 -0.01748 0.03838 0.02991 -0.07813 16 7D+2 0.08142 0.04668 -0.01989 0.00062 0.01492 17 7D-2 -0.01904 -0.03594 -0.06447 0.00472 -0.06172 18 8D 0 0.02110 -0.00108 0.00176 0.00981 -0.00139 19 8D+1 0.00254 -0.00745 -0.00947 0.03046 -0.00715 20 8D-1 -0.00411 -0.01265 -0.00309 0.01809 -0.00799 21 8D+2 0.02425 -0.00161 -0.00326 0.00086 -0.00064 22 8D-2 -0.01378 -0.00982 -0.00503 0.01641 -0.00658 23 2 Cu 1S -0.00393 -0.00028 0.00878 0.00852 -0.01625 24 2S -0.00475 0.05456 -0.00564 -0.00811 -0.12342 25 3S 0.96332 3.49939 -3.24246 -3.28985 -1.97806 26 4PX 0.05651 0.01520 -0.00103 -0.00046 -0.04045 27 4PY -0.03090 -0.01992 -0.03484 0.01668 0.00255 28 4PZ 0.05404 0.01801 -0.01837 0.03588 -0.00115 29 5PX -1.22381 -0.43563 -0.16544 -0.19883 1.08115 30 5PY 0.50114 0.65397 1.35203 -0.63905 -0.25570 31 5PZ -1.01475 -0.59750 0.69867 -1.38410 0.21116 32 6PX 1.71708 0.04331 0.30538 0.28479 0.68574 33 6PY -1.26925 -0.01563 0.38734 -0.03234 -0.31635 34 6PZ 2.07448 0.00067 0.04318 -0.41737 0.31047 35 7D 0 -0.04705 -0.01024 0.05105 -0.07918 0.00558 36 7D+1 0.02036 0.06816 0.00956 -0.01820 -0.02569 37 7D-1 0.02921 0.03629 -0.02266 -0.01519 0.10013 38 7D+2 0.05539 0.01784 0.06141 -0.01555 -0.00015 39 7D-2 -0.00982 -0.07154 0.01336 -0.00919 0.03126 40 8D 0 -0.01763 -0.00018 0.02327 -0.03818 0.00878 41 8D+1 0.00826 0.02743 0.00441 -0.01299 -0.00931 42 8D-1 0.00796 0.01507 -0.00988 -0.00651 0.02628 43 8D+2 0.02177 0.00023 0.03032 -0.00636 -0.01223 44 8D-2 0.00175 -0.02867 0.01056 -0.00416 0.01144 45 3 Cu 1S -0.00001 0.01094 -0.00001 -0.00019 0.01050 46 2S -0.00037 -0.08909 -0.00076 -0.00054 0.18628 47 3S -0.00547 -5.38466 -0.03320 0.01534 6.54498 48 4PX 0.02844 0.03130 -0.01808 -0.01874 -0.03772 49 4PY 0.01999 -0.06204 0.00847 -0.01815 0.07531 50 4PZ 0.00655 0.05803 0.01945 -0.00939 -0.07073 51 5PX -0.80658 -0.77368 0.34489 0.36393 0.93989 52 5PY -0.57415 1.53238 -0.15967 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0.00865 -0.03814 73 5PX -0.59684 -0.29408 -0.20301 -1.68386 -0.18417 74 5PY -0.37111 0.60815 -0.77794 -0.93605 -0.03846 75 5PZ -0.18861 -0.67062 0.39024 -0.40949 1.11686 76 6PX 0.97675 -0.01242 0.19351 -0.43215 0.01274 77 6PY 0.53800 0.04113 -0.41853 -0.13076 -0.21510 78 6PZ 0.30604 -0.00685 -0.28331 0.00799 0.80962 79 7D 0 0.00532 0.06659 -0.03170 -0.00681 -0.03364 80 7D+1 0.00240 0.02222 0.00453 -0.05968 -0.01667 81 7D-1 0.00832 -0.04673 -0.01418 -0.01886 0.06296 82 7D+2 -0.02606 0.01741 -0.01293 -0.07922 0.03811 83 7D-2 0.01117 0.06226 0.03883 0.03337 0.07087 84 8D 0 0.00387 0.02069 -0.01399 -0.00452 -0.02243 85 8D+1 0.00673 0.01274 0.00366 -0.03181 0.00141 86 8D-1 0.00765 -0.02143 -0.01098 -0.01011 0.01418 87 8D+2 -0.01186 0.00702 -0.00575 -0.03602 0.00934 88 8D-2 0.00368 0.02655 0.01932 0.01539 0.01888 89 5 Cu 1S -0.00048 0.04780 -0.00030 0.00007 0.04761 90 2S -0.00364 0.42945 -0.00244 0.00063 0.36392 91 3S -0.00377 6.74008 -0.03436 0.00182 6.67089 92 4PX -0.08936 0.01052 0.03155 0.03324 0.02902 93 4PY -0.06373 -0.02135 -0.01500 0.03186 -0.05698 94 4PZ -0.02071 0.02257 -0.03341 0.01670 0.05377 95 5PX 1.62019 -0.52846 -1.25859 -1.31615 -0.92681 96 5PY 1.15039 1.06382 0.60878 -1.27646 1.82049 97 5PZ 0.37804 -1.03895 1.32608 -0.66064 -1.70883 98 6PX -2.28729 -0.20564 -0.79830 -0.83849 -0.14971 99 6PY -1.63936 0.36221 0.38880 -0.81747 0.25711 100 6PZ -0.51511 -0.34959 0.84674 -0.42629 -0.30006 101 7D 0 -0.00613 -0.00226 -0.07372 0.00904 -0.00172 102 7D+1 -0.01447 -0.00716 0.03327 -0.03717 -0.00477 103 7D-1 0.00120 0.01353 -0.02536 -0.02742 0.01142 104 7D+2 -0.05550 0.00486 0.03254 0.07525 0.00513 105 7D-2 0.02510 0.00700 0.03283 -0.03706 0.00683 106 8D 0 -0.00296 -0.00387 -0.02432 0.00173 -0.00655 107 8D+1 -0.00744 -0.01251 0.01185 -0.01715 -0.01981 108 8D-1 -0.00132 0.02459 -0.01124 -0.01178 0.03981 109 8D+2 -0.01988 0.00964 0.01251 0.02584 0.01582 110 8D-2 0.00915 0.01321 0.01584 -0.01344 0.02132 111 6 Cu 1S -0.00026 0.01523 0.00144 -0.00022 -0.00179 112 2S -0.00044 -0.04477 0.15738 -0.04220 -0.06061 113 3S 0.01838 -3.92600 7.15950 -1.97254 -2.41527 114 4PX -0.00238 -0.02956 0.05324 -0.03562 -0.01567 115 4PY -0.00042 0.03247 -0.08094 0.00798 0.01216 116 4PZ -0.00170 0.04557 -0.04063 0.00726 0.04385 117 5PX 0.12429 0.62280 -1.50013 0.84566 0.41275 118 5PY 0.04613 -0.66690 2.16315 -0.30193 -0.31647 119 5PZ 0.06700 -1.01115 1.25540 -0.26881 -1.18450 120 6PX -0.52614 0.35256 -0.41038 0.28519 0.04636 121 6PY -0.30402 -0.46807 0.54761 -0.03136 0.00299 122 6PZ -0.16286 -0.23655 0.59814 -0.13239 -0.26901 123 7D 0 0.00127 -0.05283 -0.00965 0.02262 -0.03792 124 7D+1 -0.02249 0.03561 -0.00546 0.06726 0.05636 125 7D-1 -0.00796 -0.01648 0.03378 0.03395 -0.07540 126 7D+2 -0.03270 0.01361 -0.02107 0.00439 -0.02424 127 7D-2 0.01686 0.04552 -0.06496 0.00600 -0.02388 128 8D 0 0.00275 -0.00025 -0.00361 0.00139 0.00063 129 8D+1 0.00133 0.01002 -0.01658 0.00587 0.00646 130 8D-1 0.00264 -0.01310 0.01967 -0.00356 -0.00829 131 8D+2 -0.00592 0.00007 -0.00950 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0.02984 -0.10686 -0.04143 -0.06179 -0.08873 37 7D-1 0.02857 -0.09681 0.08265 -0.14530 0.07655 38 7D+2 0.00757 0.13859 -0.05114 -0.08173 0.07720 39 7D-2 -0.03015 0.09730 -0.06815 0.00639 0.05600 40 8D 0 -0.00457 0.11684 0.18433 0.04834 -0.12626 41 8D+1 -0.03617 0.15668 0.05114 0.06592 0.10509 42 8D-1 -0.02417 0.15349 -0.11206 0.19616 -0.11694 43 8D+2 0.00885 -0.18596 0.07618 0.12520 -0.11144 44 8D-2 0.03597 -0.14534 0.07480 -0.00462 -0.10621 45 3 Cu 1S -0.03242 0.13050 0.00354 0.00158 0.00136 46 2S -0.06684 0.27930 0.00437 0.00181 0.00145 47 3S 0.43864 -1.54064 -0.07978 -0.03671 -0.03303 48 4PX 0.00168 0.00070 0.00024 -0.00048 0.00357 49 4PY -0.00338 -0.00140 0.00009 0.00004 0.00366 50 4PZ 0.00318 0.00134 0.00047 0.00054 0.00223 51 5PX -0.00307 -0.09434 -0.00198 -0.01598 -0.04227 52 5PY 0.00643 0.18880 0.02880 0.00963 -0.03265 53 5PZ -0.00643 -0.17699 -0.00925 -0.00022 -0.03110 54 6PX 0.01518 -0.18227 -0.00680 -0.01178 0.17146 55 6PY -0.03174 0.36006 0.00283 0.00808 0.18436 56 6PZ 0.03910 -0.34585 -0.00034 0.01215 0.10460 57 7D 0 0.00163 0.01376 0.00659 -0.04103 -0.07869 58 7D+1 0.00518 0.04936 0.08779 -0.00194 -0.04895 59 7D-1 -0.01047 -0.09302 0.03737 -0.05758 -0.00079 60 7D+2 -0.00411 -0.03747 -0.02014 0.04900 -0.16899 61 7D-2 -0.00557 -0.04732 0.05172 0.06876 0.06686 62 8D 0 -0.00065 -0.02113 -0.00834 0.06206 0.10125 63 8D+1 -0.00227 -0.07421 -0.13138 0.00169 0.06702 64 8D-1 0.00470 0.14035 -0.05363 0.08677 0.00338 65 8D+2 0.00181 0.05646 0.03405 -0.07404 0.21424 66 8D-2 0.00252 0.07150 -0.07718 -0.10122 -0.08360 67 4 Cu 1S 0.02000 -0.03488 0.01296 0.02523 0.04450 68 2S 0.01606 -0.05043 -0.01145 -0.00917 0.07740 69 3S -0.66648 2.05696 -1.21358 -2.02466 -1.04735 70 4PX 0.00313 0.00174 -0.00254 0.01754 0.00704 71 4PY -0.00353 -0.00184 -0.01759 -0.01338 0.00033 72 4PZ -0.00399 -0.00379 -0.00028 0.00326 0.00410 73 5PX -0.11402 0.03197 0.17067 -0.65658 -0.27097 74 5PY 0.18848 -0.03625 0.60770 0.33939 0.03380 75 5PZ -0.07405 0.02010 0.22070 0.19824 -0.04047 76 6PX 0.08684 -0.06129 0.47328 -0.45496 -0.39052 77 6PY -0.13685 0.04880 0.35977 -0.22520 -0.08631 78 6PZ 0.06712 0.25395 0.50171 0.58365 -0.10414 79 7D 0 0.02847 0.05665 -0.00400 0.06143 -0.02024 80 7D+1 0.00873 -0.12690 -0.10553 0.04671 -0.00218 81 7D-1 -0.01509 0.12057 -0.02571 0.07310 0.04599 82 7D+2 0.01272 -0.03535 -0.03975 0.10846 0.13651 83 7D-2 0.03802 -0.14565 0.13217 0.09725 -0.03985 84 8D 0 -0.01904 -0.06722 0.00507 -0.08095 0.02161 85 8D+1 -0.02094 0.17630 0.14685 -0.05110 -0.03009 86 8D-1 0.02891 -0.16766 0.01964 -0.10859 -0.09120 87 8D+2 -0.01037 0.05803 0.07824 -0.16271 -0.18754 88 8D-2 -0.03939 0.22253 -0.18347 -0.11935 0.05661 89 5 Cu 1S -0.06500 0.01162 0.00003 0.00003 -0.00028 90 2S -0.21025 0.01109 0.00356 0.00171 -0.00004 91 3S 2.91910 3.48398 -0.08840 -0.05101 0.01577 92 4PX 0.01730 0.00472 -0.00141 0.00241 0.01658 93 4PY -0.03446 -0.00929 -0.00298 -0.00020 0.01711 94 4PZ 0.03223 0.00886 -0.00118 -0.00115 0.01037 95 5PX -0.00685 -0.01374 0.18877 -0.37099 -0.35173 96 5PY 0.01115 0.03735 0.35825 0.05481 -0.36157 97 5PZ -0.01750 -0.01550 0.20512 0.22553 -0.22263 98 6PX 0.14211 -0.09186 -0.28447 0.57453 -0.48610 99 6PY -0.30563 0.17282 -0.53085 -0.09391 -0.51922 100 6PZ 0.22854 -0.17279 -0.32491 -0.36597 -0.29287 101 7D 0 -0.02202 0.01042 0.13384 0.13067 0.02220 102 7D+1 -0.07204 0.01366 0.12124 -0.07214 0.20852 103 7D-1 0.14261 -0.02021 0.01917 -0.08591 0.10686 104 7D+2 0.05691 -0.00301 0.14053 -0.03914 -0.12367 105 7D-2 0.07588 -0.00647 -0.00915 0.14985 0.09095 106 8D 0 0.03394 -0.01857 -0.19787 -0.19182 -0.03940 107 8D+1 0.11158 -0.03112 -0.18178 0.10604 -0.34244 108 8D-1 -0.22130 0.05167 -0.02826 0.12937 -0.17519 109 8D+2 -0.08849 0.01320 -0.20669 0.05622 0.19535 110 8D-2 -0.11802 0.02122 0.01241 -0.22399 -0.14642 111 6 Cu 1S -0.02391 0.18041 -0.03443 -0.04749 0.04222 112 2S -0.02957 0.36006 -0.05313 -0.07178 0.06883 113 3S -0.22244 -2.77880 0.52070 0.65415 -1.05870 114 4PX -0.00099 -0.00243 -0.00121 0.00526 0.00158 115 4PY 0.00306 0.00306 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135 3S -0.67048 2.25209 2.20954 -0.05154 3.10518 136 4PX 0.00327 0.00111 -0.01322 0.01161 -0.00379 137 4PY 0.00390 0.00389 0.00283 -0.00216 0.00933 138 4PZ 0.00368 0.00039 -0.02016 -0.00702 -0.00962 139 5PX -0.11638 0.05316 0.43555 -0.49580 0.26037 140 5PY 0.08296 -0.00405 0.26872 0.07798 -0.01872 141 5PZ -0.18267 0.09086 0.58704 0.31672 0.43515 142 6PX 0.07175 -0.06708 0.11979 -0.59704 0.16125 143 6PY -0.04667 -0.21731 0.78662 0.07207 -0.12444 144 6PZ 0.12001 -0.02328 0.02097 0.42632 0.38199 145 7D 0 -0.02461 0.00592 0.07954 -0.09098 -0.02589 146 7D+1 -0.03942 0.16610 0.15297 0.04039 0.04367 147 7D-1 -0.01106 0.11215 -0.04891 0.06589 -0.15784 148 7D+2 -0.01965 -0.05029 0.02503 0.01405 -0.07259 149 7D-2 -0.00617 0.12119 -0.03232 -0.11552 -0.08599 150 8D 0 0.01912 -0.01914 -0.10572 0.14811 0.03677 151 8D+1 0.04201 -0.25015 -0.19908 -0.06432 -0.07277 152 8D-1 0.02524 -0.15288 0.08105 -0.08208 0.22702 153 8D+2 0.01399 0.06362 -0.03361 -0.03585 0.11576 154 8D-2 0.01913 -0.16716 0.05451 0.15262 0.12933 155 8 Cu 1S -0.02336 0.18098 -0.03158 0.05099 0.08399 156 2S -0.02897 0.36064 -0.04904 0.07679 0.13663 157 3S -0.21619 -2.78190 0.49828 -0.70094 -2.12138 158 4PX -0.00459 0.00286 0.00072 -0.00205 0.00309 159 4PY 0.00370 0.00232 -0.00584 0.00463 0.00155 160 4PZ -0.00346 -0.00239 -0.00012 -0.00704 0.00129 161 5PX -0.02631 -0.45268 0.12455 -0.18272 -0.43879 162 5PY 0.07950 -0.23173 0.32150 -0.06622 -0.09067 163 5PZ -0.07467 0.25138 0.12728 0.29875 0.28523 164 6PX -0.24898 -0.50228 -0.13267 0.27278 -0.17494 165 6PY 0.26247 -0.25730 0.04579 -0.19102 0.11489 166 6PZ -0.23846 0.25600 -0.15917 0.13138 0.36882 167 7D 0 -0.01584 -0.02430 -0.10149 -0.01711 0.05922 168 7D+1 0.02285 -0.00663 -0.06435 0.10882 -0.11940 169 7D-1 0.00059 0.02834 0.02578 -0.05025 0.05626 170 7D+2 0.02680 0.03811 -0.02198 -0.08339 -0.07590 171 7D-2 -0.02452 0.00247 0.06311 -0.12403 -0.11525 172 8D 0 0.01909 0.03283 0.10673 0.01075 -0.06853 173 8D+1 -0.04084 0.03698 0.10142 -0.13940 0.20094 174 8D-1 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0.09496 -0.00441 194 5PZ -0.92375 0.22136 0.36221 0.39993 -0.01042 146 147 148 149 150 V V V V V EIGENVALUES -- 0.67486 0.67907 0.69858 0.70905 0.70984 1 1 Cu 1S 0.02842 -0.09178 0.00955 0.01192 -0.06903 2 2S 0.04699 -0.18294 -0.03213 0.02425 -0.14510 3 3S -0.66993 0.95171 -1.11410 -0.42865 2.43507 4 4PX 0.00175 0.00137 -0.00424 0.00089 0.00022 5 4PY -0.00116 -0.00365 -0.00624 -0.00051 0.00156 6 4PZ -0.00197 0.00258 -0.00438 -0.00072 -0.00042 7 5PX 0.22349 -0.15593 0.27320 0.35386 -0.24087 8 5PY 0.06563 -0.04930 0.07206 -0.06460 0.04765 9 5PZ 0.00872 -0.20054 0.38035 -0.13549 -0.46055 10 6PX 0.40120 -0.05157 -0.11892 0.03216 -0.49508 11 6PY -0.02716 -0.26444 0.46488 0.07408 -0.32364 12 6PZ -0.19941 -0.03471 -0.27966 0.13092 -0.59191 13 7D 0 -0.06523 -0.03906 -0.06960 -0.12111 -0.04464 14 7D+1 -0.00791 -0.05514 -0.13457 0.08122 -0.18964 15 7D-1 -0.12642 0.00300 0.03187 -0.00125 -0.06265 16 7D+2 0.11563 -0.01566 -0.02645 0.05711 0.07403 17 7D-2 0.12727 0.00698 0.01505 -0.00380 -0.09665 18 8D 0 0.09162 0.05594 0.08140 0.19648 0.09609 19 8D+1 0.00729 0.09765 0.18623 -0.13521 0.31854 20 8D-1 0.18790 0.00891 -0.06391 0.00554 0.10594 21 8D+2 -0.17039 0.01780 0.00749 -0.10334 -0.08947 22 8D-2 -0.20663 0.00340 -0.02449 0.00317 0.14865 23 2 Cu 1S 0.10409 0.02277 0.01161 0.16904 0.14306 24 2S 0.18353 0.01711 0.06058 0.20554 0.17291 25 3S -2.35891 -1.91154 0.88405 -6.60199 -5.60091 26 4PX 0.00368 -0.00079 -0.00476 -0.02395 -0.01984 27 4PY -0.01054 0.00010 0.01491 -0.01787 -0.00377 28 4PZ 0.00262 -0.00186 -0.01415 0.00645 0.01764 29 5PX 0.13476 0.14936 0.29049 1.31979 1.11824 30 5PY 0.37616 -0.11411 -0.61336 0.50851 0.64970 31 5PZ -0.13714 0.14669 0.58492 -0.73601 -0.40079 32 6PX 0.02531 0.05935 0.29400 0.87420 0.73477 33 6PY 0.45003 -0.02616 -0.59067 0.52235 0.42066 34 6PZ -0.02857 0.06355 0.57048 -0.51223 -0.44954 35 7D 0 -0.09468 -0.01384 -0.08398 0.00694 -0.02162 36 7D+1 -0.07662 0.11132 0.05461 -0.11921 0.17913 37 7D-1 0.08654 0.02350 -0.08374 -0.00881 -0.01172 38 7D+2 -0.01558 -0.00078 0.13461 0.01303 0.00678 39 7D-2 0.10475 -0.12594 -0.06530 -0.15160 0.13968 40 8D 0 0.13780 0.02050 0.13415 0.00635 0.04331 41 8D+1 0.13376 -0.17943 -0.09335 0.22660 -0.27845 42 8D-1 -0.13453 -0.04522 0.12112 -0.00377 0.00521 43 8D+2 0.02914 0.00137 -0.21606 -0.04675 -0.03729 44 8D-2 -0.13368 0.20110 0.10915 0.22687 -0.25720 45 3 Cu 1S 0.00493 -0.16839 -0.12344 -0.00124 -0.00378 46 2S 0.00900 -0.28919 -0.16511 -0.00079 -0.00620 47 3S -0.07385 2.81173 3.05996 0.03759 0.07755 48 4PX 0.00385 -0.00351 -0.00347 -0.00042 -0.00035 49 4PY -0.00166 0.00723 0.00697 0.00024 -0.00008 50 4PZ -0.00341 -0.00680 -0.00646 0.00017 -0.00031 51 5PX -0.04269 0.26135 0.31472 0.38410 0.33805 52 5PY 0.02785 -0.53084 -0.65018 -0.15088 0.35147 53 5PZ 0.02387 0.49758 0.61834 -0.34186 0.22578 54 6PX 0.18555 0.19688 0.00066 -0.00052 0.01069 55 6PY -0.06316 -0.38661 0.00282 0.00395 -0.00059 56 6PZ -0.19495 0.34517 0.00630 -0.00295 0.01038 57 7D 0 0.17903 0.01417 0.02454 0.04658 -0.05689 58 7D+1 -0.06157 0.03175 0.08809 -0.00572 -0.12447 59 7D-1 -0.02215 -0.05643 -0.16979 -0.07621 -0.05321 60 7D+2 -0.03918 -0.02354 -0.06977 0.02591 -0.04066 61 7D-2 0.06699 -0.02311 -0.09285 0.11886 -0.00816 62 8D 0 -0.22750 -0.01272 -0.02845 -0.10797 0.10685 63 8D+1 0.07712 -0.02581 -0.10821 0.02127 0.20985 64 8D-1 0.03318 0.03967 0.20581 0.12507 0.08536 65 8D+2 0.04792 0.01677 0.08465 -0.03408 0.09591 66 8D-2 -0.09086 0.01112 0.11409 -0.20357 0.00097 67 4 Cu 1S -0.13125 0.01678 0.02171 -0.20657 0.07755 68 2S -0.22918 0.00470 0.07394 -0.24882 0.09409 69 3S 3.08839 -1.82853 0.52200 8.13080 -3.03161 70 4PX -0.00194 -0.00071 -0.00774 -0.01578 0.01697 71 4PY 0.01014 0.00051 0.01434 0.02665 -0.00215 72 4PZ -0.00828 -0.00166 -0.01225 0.01960 -0.00554 73 5PX 0.20121 0.05084 0.26902 1.09296 -0.19118 74 5PY -0.45025 -0.11539 -0.56841 -1.19942 0.57504 75 5PZ -0.00906 0.21541 0.61120 -1.09118 0.45347 76 6PX 0.09169 0.01862 0.27433 0.76450 -0.29850 77 6PY -0.43408 -0.03994 -0.56258 -0.98356 0.34010 78 6PZ 0.10942 0.08915 0.60330 -0.65661 0.24963 79 7D 0 0.06375 0.10187 0.17975 -0.00232 0.07488 80 7D+1 0.08481 0.05083 -0.04990 0.06433 0.19517 81 7D-1 -0.15008 -0.11189 -0.03341 0.07673 0.13949 82 7D+2 0.00334 0.01571 -0.02134 -0.04010 -0.11954 83 7D-2 -0.05268 0.08329 -0.05822 0.00391 0.00984 84 8D 0 -0.10213 -0.16163 -0.29141 0.00584 -0.12711 85 8D+1 -0.13237 -0.08196 0.07941 -0.14415 -0.31719 86 8D-1 0.21237 0.17492 0.05171 -0.07628 -0.25416 87 8D+2 0.00306 -0.02724 0.02862 0.07416 0.19206 88 8D-2 0.08644 -0.13822 0.07987 -0.00876 -0.01290 89 5 Cu 1S -0.00006 0.00977 -0.02856 0.00027 -0.00134 90 2S 0.00114 -0.02678 -0.02910 0.00061 -0.00144 91 3S 0.00547 -0.11274 -1.68191 -0.07355 0.04746 92 4PX 0.01823 -0.00980 -0.01472 -0.00988 -0.00847 93 4PY -0.00750 0.02082 0.03019 0.00425 -0.00863 94 4PZ -0.01662 -0.01963 -0.02817 0.00805 -0.00551 95 5PX -0.39374 0.27046 0.21013 0.39732 0.33735 96 5PY 0.16512 -0.55827 -0.45158 -0.15629 0.37196 97 5PZ 0.35277 0.54487 0.42540 -0.34839 0.21049 98 6PX -0.48773 -0.46414 0.40297 0.33913 0.27276 99 6PY 0.17068 0.88430 -0.85804 -0.14380 0.30906 100 6PZ 0.50264 -0.81052 0.75941 -0.28139 0.16785 101 7D 0 0.11735 -0.01555 0.00092 -0.09152 0.04861 102 7D+1 -0.06057 -0.07698 0.00015 0.03101 0.04870 103 7D-1 0.12090 0.16330 0.00264 0.02112 0.01541 104 7D+2 -0.11014 0.06335 -0.00049 0.01557 0.08572 105 7D-2 -0.18128 0.08426 0.00423 -0.05134 -0.02563 106 8D 0 -0.18439 0.02660 -0.00431 0.14351 -0.08880 107 8D+1 0.09627 0.12538 -0.00861 -0.04598 -0.11835 108 8D-1 -0.19873 -0.26422 0.01351 -0.05701 -0.04390 109 8D+2 0.17866 -0.10167 0.00709 -0.00951 -0.13132 110 8D-2 0.29983 -0.13550 0.00163 0.11985 0.02982 111 6 Cu 1S -0.12143 -0.09869 0.01141 -0.06206 0.02276 112 2S -0.19541 -0.19285 -0.02914 -0.13217 0.04693 113 3S 3.10116 1.12958 -1.20107 2.26487 -0.87591 114 4PX 0.00242 0.00141 -0.00397 0.00031 0.00079 115 4PY -0.00086 -0.00309 0.00414 0.00066 0.00060 116 4PZ -0.00401 0.00352 0.00673 -0.00143 0.00098 117 5PX -0.34180 -0.16887 0.27422 -0.15314 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0.01314 0.00173 -0.01858 138 4PZ -0.00307 -0.00192 -0.01421 -0.00318 -0.02725 139 5PX -0.25255 0.03291 0.28514 -0.00241 1.17905 140 5PY 0.04481 -0.20908 -0.62556 -0.23348 1.07042 141 5PZ 0.06491 0.13216 0.56268 -0.35043 1.30672 142 6PX -0.38888 -0.00447 0.27526 -0.15483 0.84755 143 6PY 0.08914 -0.07866 -0.60039 -0.11695 0.62994 144 6PZ 0.18522 0.05188 0.54043 -0.15879 1.03396 145 7D 0 -0.11405 -0.06713 -0.07569 0.08414 0.02821 146 7D+1 0.04685 -0.07209 0.06345 -0.00657 0.00102 147 7D-1 0.03640 -0.09501 -0.02853 0.15773 0.04336 148 7D+2 0.07597 -0.08599 -0.16390 -0.13249 0.00450 149 7D-2 -0.02109 -0.05378 0.05440 -0.19038 -0.03093 150 8D 0 0.15903 0.10914 0.12697 -0.13450 -0.05145 151 8D+1 -0.06876 0.12411 -0.08797 0.00814 0.00349 152 8D-1 -0.07896 0.14853 0.04393 -0.27443 -0.01892 153 8D+2 -0.09638 0.13601 0.26258 0.21789 -0.00067 154 8D-2 0.06296 0.08553 -0.08747 0.31492 0.09040 155 8 Cu 1S 0.10408 -0.09102 0.00908 0.05168 0.04268 156 2S 0.16951 -0.18153 -0.03402 0.10811 0.08885 157 3S -2.57533 0.93329 -1.09766 -1.87796 -1.60278 158 4PX 0.00370 0.00242 0.00830 0.00122 0.00131 159 4PY -0.00085 -0.00325 0.00208 -0.00103 0.00020 160 4PZ -0.00180 0.00281 -0.00223 -0.00013 0.00108 161 5PX -0.53286 0.13807 -0.25810 -0.12132 -0.10245 162 5PY -0.31372 0.16501 -0.27416 -0.44636 -0.02706 163 5PZ 0.16132 -0.14685 0.27979 0.09635 0.43895 164 6PX -0.22574 0.25902 -0.30319 -0.47581 -0.39972 165 6PY -0.35851 -0.04546 0.35451 -0.27843 -0.28871 166 6PZ -0.05899 0.02171 -0.32207 0.33417 0.23159 167 7D 0 0.03968 -0.01518 -0.01577 -0.13538 0.04984 168 7D+1 0.11373 0.02348 0.04468 -0.04270 -0.08496 169 7D-1 0.05648 0.06072 0.14258 -0.11712 -0.10329 170 7D+2 -0.09447 0.01375 0.03773 0.04317 0.12816 171 7D-2 0.09776 -0.01929 -0.04834 0.08384 0.01983 172 8D 0 -0.04774 0.01154 0.01346 0.20908 -0.09376 173 8D+1 -0.15213 -0.04523 -0.03933 0.08052 0.15537 174 8D-1 -0.06807 -0.09865 -0.21079 0.19418 0.17124 175 8D+2 0.10825 -0.00635 -0.04102 -0.04801 -0.19221 176 8D-2 -0.17095 0.03998 0.04351 -0.15657 -0.04141 177 9 C 1S -0.00189 0.06405 -0.00914 -0.00012 0.00043 178 2S 0.00010 0.01832 -0.31781 -0.01044 0.00000 179 3S -0.00023 0.08545 0.06567 0.00249 0.00451 180 4PX 0.00586 -0.03086 0.14031 0.05898 0.05244 181 4PY -0.00454 0.06226 -0.28580 -0.02485 0.04997 182 4PZ -0.00204 -0.05689 0.26284 -0.04911 0.03625 183 5PX 0.06564 0.20408 -0.18883 -0.20607 -0.17964 184 5PY -0.01398 -0.41260 0.39398 0.08118 -0.19009 185 5PZ -0.07945 0.36406 -0.36600 0.17797 -0.11397 186 10 O 1S -0.00020 0.01125 -0.00559 -0.00028 0.00016 187 2S -0.00198 0.05202 -0.00542 -0.00013 0.00078 188 3S 0.01000 -0.36811 0.10897 0.00508 -0.00491 189 4PX 0.01008 -0.22563 0.14935 -0.00547 -0.01181 190 4PY -0.01274 0.43593 -0.30057 -0.00469 -0.00875 191 4PZ 0.01000 -0.42860 0.27439 0.01239 -0.00583 192 5PX -0.03176 0.33991 -0.15678 0.03579 0.04456 193 5PY 0.02422 -0.65779 0.31314 -0.00288 0.03454 194 5PZ 0.00296 0.64744 -0.28504 -0.04363 0.02820 151 152 153 154 155 V V V V V EIGENVALUES -- 0.74974 0.75092 0.79127 0.79656 0.79673 1 1 Cu 1S 0.05166 0.01734 0.00027 0.04240 -0.01274 2 2S 0.13132 0.04412 0.00066 0.10302 -0.03080 3 3S -0.63279 -0.21708 -0.00176 -0.25353 0.08596 4 4PX -0.00693 0.00045 -0.00634 -0.00198 -0.00278 5 4PY 0.01317 0.00398 0.00115 0.00249 -0.00013 6 4PZ -0.01078 -0.00583 0.00458 -0.00132 0.00290 7 5PX 0.02218 0.08235 0.01179 -0.00003 0.01617 8 5PY 0.12396 0.03114 -0.00203 0.07961 -0.02872 9 5PZ 0.04804 -0.03686 -0.00879 -0.03275 -0.00431 10 6PX 0.04050 0.12861 -0.02226 -0.03338 -0.06479 11 6PY 0.03628 -0.00448 0.00370 -0.06815 0.02966 12 6PZ 0.12435 -0.04288 0.01650 0.01501 0.04769 13 7D 0 0.09050 0.08118 -0.14225 -0.11874 -0.03703 14 7D+1 0.12990 0.01777 0.03257 -0.12198 0.05822 15 7D-1 0.05400 -0.01722 -0.14552 0.17193 -0.08700 16 7D+2 0.11634 0.03492 0.14379 -0.00620 0.05468 17 7D-2 -0.01291 0.05727 0.15535 0.13316 -0.01041 18 8D 0 -0.12640 -0.10588 0.21335 0.19182 0.05299 19 8D+1 -0.19580 -0.02964 -0.04497 0.20783 -0.09477 20 8D-1 -0.09113 0.03634 0.23989 -0.28691 0.14148 21 8D+2 -0.14966 -0.05734 -0.22638 0.00448 -0.08241 22 8D-2 0.01196 -0.10378 -0.26227 -0.21774 0.01824 23 2 Cu 1S -0.01569 0.01506 -0.00072 0.00601 0.00504 24 2S -0.03067 0.02865 -0.00212 -0.00778 -0.00847 25 3S 0.32002 -0.33335 -0.01622 -0.68893 -0.63495 26 4PX 0.00499 -0.00376 -0.00041 -0.00540 -0.00517 27 4PY 0.00628 0.01498 -0.00750 0.00290 -0.00506 28 4PZ 0.01415 0.00889 -0.00761 0.00527 -0.00274 29 5PX -0.08625 0.08513 -0.00293 0.05850 0.04615 30 5PY -0.00933 -0.07288 -0.09014 0.15021 0.21503 31 5PZ -0.06267 -0.02098 -0.11114 -0.20216 -0.13115 32 6PX 0.12089 -0.08426 0.02308 0.35899 0.32476 33 6PY -0.20602 0.11515 0.27636 -0.06820 -0.30013 34 6PZ 0.15091 -0.18382 0.30861 0.28052 0.01789 35 7D 0 0.10490 0.08645 -0.14106 -0.05016 -0.02186 36 7D+1 -0.03940 0.06346 -0.05639 0.04166 0.02777 37 7D-1 -0.02391 0.01061 0.00260 -0.10537 -0.10323 38 7D+2 0.02419 0.08384 -0.08134 0.05463 0.06579 39 7D-2 0.06659 -0.03748 -0.05408 -0.03673 -0.04477 40 8D 0 -0.14367 -0.12324 0.18955 0.06789 0.03333 41 8D+1 0.05485 -0.09325 0.09489 -0.06025 -0.03506 42 8D-1 0.04926 -0.02847 -0.00250 0.16859 0.16481 43 8D+2 -0.03761 -0.11520 0.11046 -0.07639 -0.08791 44 8D-2 -0.09674 0.05201 0.09122 0.04764 0.06372 45 3 Cu 1S -0.00111 -0.00164 0.00005 -0.00070 0.00100 46 2S -0.00142 -0.00212 0.00007 -0.00091 0.00128 47 3S 0.03108 0.04379 -0.00098 0.01996 -0.02996 48 4PX -0.00221 0.00168 0.00013 0.00329 0.00303 49 4PY -0.00172 -0.00089 -0.00001 0.00323 -0.00170 50 4PZ -0.00099 -0.00237 -0.00008 0.00148 -0.00318 51 5PX -0.04899 0.05004 0.00052 0.02608 0.01717 52 5PY -0.05206 -0.03624 -0.00011 0.01841 -0.00428 53 5PZ -0.01227 -0.04155 -0.00082 0.01545 -0.02866 54 6PX 0.17966 -0.14531 0.00147 0.03783 0.03319 55 6PY 0.15293 0.08641 -0.00009 0.03331 -0.01614 56 6PZ 0.07185 0.17728 -0.00075 0.01818 -0.03868 57 7D 0 -0.05784 -0.08152 -0.00438 0.08613 -0.13876 58 7D+1 -0.14086 -0.00794 0.00287 0.17350 0.01640 59 7D-1 -0.06926 0.07121 0.00351 0.07460 0.08495 60 7D+2 -0.05790 -0.03617 0.00167 0.11142 -0.02673 61 7D-2 0.02075 -0.14138 -0.00604 -0.03414 -0.16547 62 8D 0 0.08655 0.10609 0.00650 -0.13480 0.20674 63 8D+1 0.22043 0.02075 -0.00441 -0.28073 -0.02034 64 8D-1 0.11070 -0.11354 -0.00567 -0.12317 -0.13808 65 8D+2 0.06929 0.06069 -0.00235 -0.16284 0.04750 66 8D-2 -0.02349 0.22171 0.00953 0.04753 0.26754 67 4 Cu 1S -0.00329 -0.02228 0.00053 0.00177 -0.00622 68 2S -0.00703 -0.04311 0.00165 -0.00307 0.01366 69 3S 0.04678 0.44508 0.01659 -0.23007 0.88735 70 4PX 0.01831 -0.00191 0.00867 0.00713 -0.00196 71 4PY 0.01115 -0.00648 0.00599 0.00343 0.00429 72 4PZ 0.00465 0.00746 0.00170 -0.00046 0.00612 73 5PX -0.06702 0.02740 0.12168 -0.09607 0.16448 74 5PY -0.03983 0.01981 0.06968 0.03561 -0.29587 75 5PZ -0.02698 -0.11506 0.02327 -0.01666 0.04627 76 6PX -0.02183 0.12245 -0.34134 0.20131 0.04609 77 6PY -0.06896 -0.21970 -0.21977 0.09288 0.20482 78 6PZ 0.04854 0.24029 -0.07700 0.17318 -0.53606 79 7D 0 0.00305 -0.09126 0.02819 0.03290 -0.12961 80 7D+1 0.07052 -0.02298 0.11380 -0.00413 0.01098 81 7D-1 0.03265 0.03683 0.05722 -0.01380 0.06866 82 7D+2 0.11637 -0.03723 0.10845 -0.03350 0.04316 83 7D-2 -0.07113 -0.03884 -0.06053 -0.01728 0.11059 84 8D 0 -0.00662 0.12281 -0.04392 -0.04777 0.18091 85 8D+1 -0.10090 0.03532 -0.17210 0.00018 -0.01413 86 8D-1 -0.04738 -0.04778 -0.09192 0.01860 -0.10670 87 8D+2 -0.15958 0.06023 -0.13687 0.04818 -0.07320 88 8D-2 0.10307 0.07335 0.08023 0.03177 -0.17936 89 5 Cu 1S 0.00133 0.00156 -0.00001 0.00067 -0.00076 90 2S 0.00242 0.00287 0.00003 0.00133 -0.00144 91 3S -0.01256 -0.01096 0.00109 0.00632 -0.01252 92 4PX -0.01620 0.01326 -0.00031 -0.00415 -0.00430 93 4PY -0.01377 -0.00800 0.00001 -0.00374 0.00225 94 4PZ -0.00657 -0.01614 0.00023 -0.00196 0.00456 95 5PX 0.43441 -0.35174 0.02287 0.43399 0.41255 96 5PY 0.37795 0.21668 -0.00215 0.41003 -0.21676 97 5PZ 0.17418 0.42346 -0.01558 0.19793 -0.44492 98 6PX 0.10106 -0.11133 -0.00774 -0.14656 -0.13177 99 6PY 0.08860 0.06897 0.00084 -0.14201 0.07231 100 6PZ 0.03726 0.12509 0.00454 -0.06812 0.14282 101 7D 0 -0.02796 0.03758 0.00522 -0.01735 0.13469 102 7D+1 -0.11477 -0.04396 -0.00150 0.05262 -0.05967 103 7D-1 -0.07042 0.06523 0.00184 0.04291 0.03637 104 7D+2 0.05309 -0.04923 -0.00407 -0.13680 -0.04932 105 7D-2 -0.02594 -0.11737 -0.00028 0.06371 -0.04498 106 8D 0 0.05924 -0.02381 -0.00823 0.02813 -0.21070 107 8D+1 0.20994 0.06398 0.00250 -0.07865 0.09225 108 8D-1 0.12304 -0.11643 -0.00252 -0.06507 -0.05399 109 8D+2 -0.05420 0.08140 0.00623 0.21302 0.07540 110 8D-2 0.02899 0.21390 -0.00005 -0.09891 0.06558 111 6 Cu 1S -0.01042 -0.05439 0.00207 -0.01049 0.04390 112 2S -0.02698 -0.13902 0.00509 -0.02608 0.10784 113 3S 0.11446 0.65614 -0.01349 0.04922 -0.25134 114 4PX -0.00189 0.00667 0.00630 -0.00358 -0.00220 115 4PY -0.00447 -0.01231 0.00435 -0.00303 0.00159 116 4PZ 0.00213 0.01339 0.00093 0.00009 -0.00305 117 5PX -0.07085 -0.02633 -0.01341 0.02764 -0.00393 118 5PY -0.04005 0.04061 -0.00746 0.00513 0.03657 119 5PZ 0.01021 0.12168 -0.00488 0.01977 -0.07410 120 6PX 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23 2 Cu 1S -0.00999 -0.00275 0.08812 0.00249 0.05531 24 2S -0.06974 -0.00595 0.13906 0.00353 0.06500 25 3S -0.20140 -0.01192 -1.28765 -0.05408 -1.49421 26 4PX -0.00625 0.00028 -0.00879 0.00029 0.00144 27 4PY -0.00393 -0.00803 0.00755 0.00970 -0.00671 28 4PZ 0.00363 -0.00654 -0.00837 0.01040 0.00731 29 5PX 0.36669 -0.00453 0.57776 0.00228 0.24933 30 5PY -0.05804 0.56700 -0.12314 -0.36014 -0.00015 31 5PZ 0.04149 0.54575 0.18947 -0.38394 -0.45229 32 6PX 0.31290 -0.00669 0.36516 0.01770 0.37101 33 6PY -0.17639 0.27745 0.22444 0.28039 -0.24788 34 6PZ 0.15034 0.28634 -0.15208 0.27509 -0.50561 35 7D 0 0.03495 0.01323 -0.01166 -0.10724 0.03314 36 7D+1 0.05248 -0.05477 -0.10691 -0.05102 -0.01045 37 7D-1 -0.06129 -0.00493 0.01477 0.00367 -0.09806 38 7D+2 -0.06507 0.00059 0.02025 -0.06416 0.06668 39 7D-2 -0.05724 -0.06305 0.10511 -0.04209 0.03079 40 8D 0 -0.04584 0.02646 0.03693 0.15735 -0.07507 41 8D+1 -0.09188 0.08224 0.17392 0.10528 0.02346 42 8D-1 0.14032 0.00797 -0.03843 -0.00554 0.17422 43 8D+2 0.09074 0.02869 -0.05676 0.09523 -0.12440 44 8D-2 0.10326 0.09452 -0.17175 0.09014 -0.04802 45 3 Cu 1S -0.01393 -0.00087 -0.00056 0.00002 -0.00137 46 2S 0.04285 -0.00152 -0.00092 0.00003 -0.00285 47 3S 2.16349 0.02522 0.01157 -0.00147 0.00905 48 4PX -0.00562 -0.00017 -0.00402 -0.00020 -0.00311 49 4PY 0.01123 -0.00282 -0.00135 0.00003 0.00170 50 4PZ -0.01037 -0.00318 0.00062 0.00015 0.00337 51 5PX 0.25474 0.00056 0.14270 0.00359 0.05099 52 5PY -0.51117 0.09855 0.04331 -0.00018 -0.02789 53 5PZ 0.47340 0.11414 -0.02490 -0.00257 -0.05401 54 6PX 0.05933 -0.00311 -0.20169 -0.00954 -0.15436 55 6PY -0.11990 -0.15231 -0.07097 0.00159 0.08307 56 6PZ 0.12303 -0.15169 0.03503 0.00633 0.17125 57 7D 0 0.00132 -0.17754 0.16974 0.00315 0.03855 58 7D+1 -0.00272 0.27527 0.10640 0.00066 -0.00288 59 7D-1 0.00685 -0.01379 0.23164 0.00107 -0.01745 60 7D+2 0.00307 -0.06341 -0.30965 -0.00267 0.00271 61 7D-2 0.00362 0.28340 -0.05168 0.00144 0.03992 62 8D 0 0.00234 0.30920 -0.30453 -0.00574 -0.07909 63 8D+1 0.01992 -0.50340 -0.20180 -0.00132 0.00774 64 8D-1 -0.04243 0.02592 -0.42598 -0.00199 0.03259 65 8D+2 -0.01771 0.10787 0.55406 0.00486 -0.00410 66 8D-2 -0.02257 -0.51889 0.10257 -0.00262 -0.07513 67 4 Cu 1S -0.01249 0.07848 -0.03659 -0.00187 -0.07914 68 2S -0.07173 0.12365 -0.05904 -0.00239 -0.09147 69 3S -0.08923 -1.14802 0.49114 0.04881 2.13455 70 4PX 0.00405 -0.00625 -0.00622 -0.01191 -0.00643 71 4PY -0.00517 0.00380 -0.00862 -0.00766 0.01129 72 4PZ -0.00385 -0.01151 0.00407 -0.00220 -0.00714 73 5PX -0.06266 0.22730 0.59998 0.44684 0.41088 74 5PY 0.00177 0.14956 0.42455 0.28605 -0.40226 75 5PZ 0.35084 0.59528 -0.15987 0.07038 -0.16099 76 6PX 0.02949 -0.04385 0.40097 -0.31310 0.42668 77 6PY -0.13903 0.36960 0.08642 -0.22564 -0.22810 78 6PZ 0.36735 0.25777 -0.05242 -0.05828 -0.40341 79 7D 0 -0.00904 -0.06667 0.01181 0.02691 -0.03817 80 7D+1 0.06490 -0.08246 -0.02261 0.09095 0.02499 81 7D-1 -0.10047 0.08305 -0.09081 0.04422 -0.00455 82 7D+2 -0.02311 0.01656 0.03112 0.08215 0.03760 83 7D-2 -0.01299 -0.03882 0.01116 -0.04645 0.14527 84 8D 0 -0.00974 0.08990 -0.00734 -0.04911 0.06485 85 8D+1 -0.10240 0.15334 0.04110 -0.16336 -0.04163 86 8D-1 0.18020 -0.14965 0.15359 -0.08725 0.00493 87 8D+2 0.05275 -0.00992 -0.00150 -0.10544 -0.06209 88 8D-2 0.05300 0.04565 -0.03407 0.06682 -0.25939 89 5 Cu 1S -0.07347 -0.00025 0.00026 -0.00001 0.00197 90 2S -0.05878 0.00088 0.00102 -0.00011 0.00292 91 3S 6.81058 0.01894 -0.00696 -0.00212 -0.09869 92 4PX 0.02584 -0.00083 0.00518 -0.00042 -0.01854 93 4PY -0.05111 0.00327 0.00104 0.00013 0.01089 94 4PZ 0.04882 0.00426 -0.00169 0.00030 0.02022 95 5PX -0.08891 0.01488 0.16785 0.02425 0.73500 96 5PY 0.16428 0.15470 0.08176 -0.00409 -0.41656 97 5PZ -0.20126 0.11735 -0.01961 -0.01447 -0.82129 98 6PX -0.10505 -0.02368 0.46554 0.00282 0.14512 99 6PY 0.18448 0.34012 0.13739 0.00226 -0.08251 100 6PZ -0.22747 0.36466 -0.10085 0.00112 -0.15286 101 7D 0 0.00032 0.03947 -0.05648 0.00345 0.13784 102 7D+1 -0.01120 -0.09972 -0.04894 -0.00208 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-0.03497 181 4PY -0.09929 -0.01483 -0.00735 0.00006 0.02085 182 4PZ 0.09049 -0.01633 0.00183 0.00102 0.03666 183 5PX 0.06571 -0.01154 0.12672 -0.00586 -0.19026 184 5PY -0.12410 0.08983 0.03643 0.00157 0.10684 185 5PZ 0.13653 0.09690 -0.03324 0.00524 0.21532 186 10 O 1S 0.01069 0.00000 -0.00004 0.00000 -0.00017 187 2S -0.01203 0.00030 -0.00003 0.00002 -0.00062 188 3S 0.17209 -0.00165 -0.00042 -0.00002 0.00127 189 4PX 0.09420 -0.00314 0.07822 -0.00085 -0.02504 190 4PY -0.18924 0.05706 0.02488 0.00058 0.01579 191 4PZ 0.17721 0.05955 -0.01691 0.00118 0.02493 192 5PX -0.04423 0.00869 -0.15774 0.00340 0.09851 193 5PY 0.08605 -0.11368 -0.04728 -0.00151 -0.05426 194 5PZ -0.09151 -0.11995 0.03496 -0.00356 -0.11369 161 162 163 164 165 V V V V V EIGENVALUES -- 0.87051 0.88293 0.88356 0.89051 0.93513 1 1 Cu 1S 0.05781 -0.00182 0.02301 -0.04769 -0.08579 2 2S 0.07689 -0.00475 0.05945 -0.09987 -0.20771 3 3S -1.52118 0.00723 -0.00166 0.98630 -0.53892 4 4PX -0.00643 0.01121 0.00337 0.00340 -0.00185 5 4PY -0.00831 -0.00144 -0.00792 0.01648 -0.01349 6 4PZ -0.00592 -0.00850 0.00513 0.00086 0.00078 7 5PX 0.28720 -0.13598 -0.07313 -0.06341 0.02308 8 5PY 0.39724 0.01988 0.13589 0.00743 0.54800 9 5PZ 0.23125 0.10654 -0.11969 -0.09282 -0.10562 10 6PX -0.03163 0.43761 0.09757 -0.25738 -0.00613 11 6PY -0.20209 -0.05340 -0.51642 -0.01655 0.15893 12 6PZ 0.09121 -0.33709 0.20592 -0.35066 -0.04255 13 7D 0 -0.10032 0.16566 -0.04812 -0.02424 -0.10395 14 7D+1 0.13732 -0.07052 -0.00827 -0.16711 -0.00973 15 7D-1 -0.12171 -0.02597 0.01210 0.02715 -0.08100 16 7D+2 -0.21658 -0.07104 -0.09057 0.07449 -0.19013 17 7D-2 -0.07142 0.07515 0.04379 -0.02831 0.00761 18 8D 0 0.17094 -0.28968 0.08365 0.05555 0.21029 19 8D+1 -0.27177 0.12393 0.01600 0.31145 0.01944 20 8D-1 0.22309 0.05100 -0.01849 -0.07555 0.15204 21 8D+2 0.38780 0.12208 0.15709 -0.13062 0.38062 22 8D-2 0.13449 -0.13894 -0.07438 0.03110 -0.02286 23 2 Cu 1S 0.05746 0.00253 0.00138 0.02268 0.05941 24 2S 0.06461 -0.00367 -0.00266 -0.02931 0.03312 25 3S -1.59348 -0.50030 -0.29814 -2.76579 -1.88987 26 4PX 0.00170 0.00087 0.00121 -0.02308 -0.01457 27 4PY -0.00859 -0.00002 -0.00512 -0.00636 -0.01294 28 4PZ 0.00781 0.00453 -0.00178 0.00667 0.01298 29 5PX 0.25658 0.27342 0.16965 0.47983 0.17367 30 5PY 0.46400 0.01160 -0.19057 0.32958 0.39595 31 5PZ -0.05732 0.17344 -0.09599 -0.33463 -0.39352 32 6PX 0.44255 -0.48893 -0.29734 0.35895 0.16257 33 6PY 0.40316 0.17106 0.83270 -0.15974 0.07708 34 6PZ 0.19988 -0.79699 0.21049 0.18373 -0.06662 35 7D 0 -0.07482 0.17106 -0.06363 0.02969 -0.01317 36 7D+1 -0.03054 -0.10069 0.07559 -0.01475 -0.03930 37 7D-1 -0.10126 -0.03205 -0.01693 -0.14037 -0.07891 38 7D+2 0.01648 -0.11530 -0.16765 -0.07247 0.01871 39 7D-2 0.00542 -0.01831 0.12663 0.02032 0.03785 40 8D 0 0.14348 -0.26747 0.09534 -0.05797 0.00480 41 8D+1 0.04906 0.17333 -0.13171 0.01334 0.05569 42 8D-1 0.17985 0.06391 0.03564 0.30503 0.17301 43 8D+2 -0.01662 0.18775 0.26230 0.14168 0.00197 44 8D-2 -0.01582 0.03413 -0.21819 -0.02108 -0.05286 45 3 Cu 1S 0.00087 -0.00192 0.00421 -0.16694 -0.11824 46 2S 0.00183 -0.00384 0.00794 -0.29593 -0.23318 47 3S -0.00566 0.02882 -0.08337 4.06072 1.70361 48 4PX -0.00284 -0.01084 -0.00737 -0.00968 -0.00312 49 4PY -0.00259 0.00268 -0.01028 0.01893 0.00614 50 4PZ -0.00118 0.00845 -0.00618 -0.01837 -0.00587 51 5PX 0.04479 0.17837 0.11621 0.35770 0.10733 52 5PY 0.04155 -0.04664 0.17468 -0.70973 -0.21730 53 5PZ 0.01816 -0.13556 0.09338 0.67539 0.20142 54 6PX -0.14537 -0.45246 -0.32375 0.20709 0.15850 55 6PY -0.13126 0.10570 -0.40949 -0.42634 -0.31950 56 6PZ -0.06061 0.36093 -0.28353 0.38179 0.30033 57 7D 0 -0.01785 0.17993 -0.08447 -0.02987 -0.02856 58 7D+1 -0.05495 -0.07175 0.02588 -0.08434 -0.08845 59 7D-1 -0.02652 0.02713 0.01814 0.16528 0.17607 60 7D+2 -0.00764 -0.08961 -0.17030 0.06484 0.07006 61 7D-2 -0.00198 0.00732 0.07938 0.08780 0.09353 62 8D 0 0.03603 -0.31666 0.14736 0.06035 0.05666 63 8D+1 0.10379 0.12662 -0.05031 0.17236 0.17647 64 8D-1 0.04894 -0.05143 -0.03258 -0.33820 -0.35143 65 8D+2 0.02358 0.15951 0.30057 -0.13305 -0.14017 66 8D-2 -0.00026 -0.00831 -0.14105 -0.17959 -0.18658 67 4 Cu 1S 0.01638 -0.00117 0.00059 0.02321 0.05857 68 2S 0.01773 0.00483 -0.00174 -0.02849 0.03218 69 3S -0.46320 0.45058 -0.19579 -2.78767 -1.86421 70 4PX 0.00130 -0.00307 -0.00379 0.01157 0.01322 71 4PY -0.00292 0.00074 -0.00385 -0.01270 -0.01788 72 4PZ 0.00169 -0.00255 0.00086 -0.01793 -0.00697 73 5PX 0.26194 -0.07125 -0.18074 -0.37908 -0.32088 74 5PY 0.33486 -0.00835 -0.14331 0.48397 0.48173 75 5PZ 0.08451 -0.32862 0.11826 0.28547 -0.03766 76 6PX 0.46170 0.50364 0.54770 0.01318 -0.09120 77 6PY 0.41235 -0.25985 0.66864 -0.10019 0.11302 78 6PZ 0.19205 0.79823 -0.25511 0.41624 0.11570 79 7D 0 -0.00100 0.19745 -0.06885 -0.06510 -0.00637 80 7D+1 -0.05230 -0.05143 0.09185 0.03855 -0.02528 81 7D-1 -0.02034 0.07066 0.05142 -0.06100 0.01575 82 7D+2 -0.06846 -0.06910 -0.19149 -0.06462 -0.03194 83 7D-2 0.00151 0.05300 0.05082 -0.11859 -0.08805 84 8D 0 0.00296 -0.31902 0.10493 0.10979 0.02819 85 8D+1 0.09206 0.07164 -0.16350 -0.08439 0.01705 86 8D-1 0.03234 -0.11907 -0.09438 0.14683 0.01175 87 8D+2 0.14490 0.10484 0.30850 0.13641 0.07071 88 8D-2 -0.01150 -0.09555 -0.07205 0.24943 0.17272 89 5 Cu 1S -0.00171 0.00071 -0.00164 0.07356 -0.06047 90 2S -0.00178 0.00295 -0.00671 0.24844 0.16001 91 3S 0.08825 -0.01875 0.01112 0.49143 6.08028 92 4PX -0.02109 0.00042 -0.00087 0.01729 0.00956 93 4PY -0.01952 -0.00047 -0.00003 -0.03447 -0.01852 94 4PZ -0.00883 -0.00072 -0.00062 0.03240 0.01801 95 5PX 0.82423 0.20296 0.20011 -0.94605 -0.40808 96 5PY 0.75791 -0.02149 0.18120 1.90317 0.80586 97 5PZ 0.34578 -0.16719 0.17922 -1.76165 -0.76601 98 6PX 0.18051 -0.46886 -0.32779 -0.00986 -0.21358 99 6PY 0.16453 0.11469 -0.43602 0.00584 0.40778 100 6PZ 0.06836 0.36848 -0.28243 -0.01910 -0.41963 101 7D 0 -0.03282 0.15338 -0.11432 0.01472 -0.01136 102 7D+1 -0.00822 -0.06343 -0.09936 0.05973 -0.03527 103 7D-1 0.01324 -0.05873 -0.02208 -0.12229 0.06980 104 7D+2 -0.12881 -0.03796 -0.15683 -0.05252 0.02798 105 7D-2 0.05729 0.12185 0.03685 -0.06550 0.03702 106 8D 0 0.04624 -0.27664 0.21065 -0.03581 0.03163 107 8D+1 0.00569 0.11427 0.19476 -0.13687 0.10010 108 8D-1 -0.02410 0.11644 0.04361 0.27931 -0.19786 109 8D+2 0.18705 0.06318 0.28069 0.11810 -0.07934 110 8D-2 -0.08505 -0.23270 -0.06201 0.15020 -0.10479 111 6 Cu 1S -0.01167 0.01481 -0.00662 -0.05101 -0.08694 112 2S -0.01528 0.04202 -0.01913 -0.10602 -0.21063 113 3S 0.29982 0.09273 -0.06010 1.04796 -0.52517 114 4PX -0.00036 0.00782 0.00895 0.00326 -0.00136 115 4PY -0.00224 -0.00220 0.00972 -0.00001 -0.00140 116 4PZ -0.00191 0.00684 -0.00090 -0.01701 0.01362 117 5PX 0.06271 -0.12630 -0.08899 -0.07086 0.00616 118 5PY 0.12491 0.08299 -0.14547 0.09503 0.12775 119 5PZ 0.10369 -0.10441 0.02935 0.01897 -0.54565 120 6PX -0.12964 0.25903 0.37936 -0.24655 -0.01088 121 6PY -0.07533 -0.07085 0.36538 0.37589 0.06629 122 6PZ -0.07592 0.47407 -0.15419 0.01598 -0.16137 123 7D 0 0.00415 0.07762 -0.05991 -0.06015 0.21233 124 7D+1 0.17139 -0.05859 -0.04466 0.03293 0.00154 125 7D-1 0.12868 0.00623 -0.01220 0.02559 -0.10028 126 7D+2 0.14400 -0.06432 -0.15878 0.06655 -0.01123 127 7D-2 -0.05949 0.05195 0.06378 0.16807 0.00916 128 8D 0 -0.01289 -0.13315 0.10632 0.09679 -0.42697 129 8D+1 -0.31976 0.10395 0.08454 -0.04119 0.00400 130 8D-1 -0.23945 -0.00839 0.02530 -0.07196 0.19059 131 8D+2 -0.26668 0.11080 0.27699 -0.12990 0.02032 132 8D-2 0.10632 -0.09409 -0.11097 -0.31496 -0.01872 133 7 Cu 1S -0.07339 0.00015 -0.00484 0.02306 0.06118 134 2S -0.08301 -0.00011 0.00365 -0.02944 0.03466 135 3S 2.05342 -0.03818 0.69735 -2.75380 -1.94529 136 4PX -0.00679 -0.00484 -0.00212 0.01226 0.01411 137 4PY 0.00810 0.00103 0.00272 0.01746 0.00601 138 4PZ -0.01088 0.00356 -0.00316 0.01270 0.01823 139 5PX 0.45152 -0.18702 0.05029 -0.39004 -0.33768 140 5PY 0.08292 0.00887 0.34576 -0.24891 0.05384 141 5PZ 0.37089 0.13886 0.01032 -0.47917 -0.48742 142 6PX 0.43529 0.66002 0.25698 -0.00867 -0.11314 143 6PY 0.40244 -0.05941 -0.82898 -0.43246 -0.11694 144 6PZ 0.17360 -0.51012 0.45717 0.11604 -0.12238 145 7D 0 0.00181 0.17547 -0.10969 0.06807 0.02665 146 7D+1 -0.14223 -0.05496 -0.03474 0.11586 0.09153 147 7D-1 0.00080 0.07092 0.06476 -0.06775 0.01153 148 7D+2 0.05747 -0.10971 -0.16567 0.02052 -0.00848 149 7D-2 -0.02077 -0.05723 0.09499 -0.04186 0.02385 150 8D 0 -0.00675 -0.27816 0.18194 -0.13310 -0.06417 151 8D+1 0.25464 0.08334 0.07319 -0.24280 -0.17616 152 8D-1 -0.00502 -0.12699 -0.10817 0.15932 0.01962 153 8D+2 -0.09312 0.18090 0.26376 -0.01967 0.01064 154 8D-2 0.03276 0.11140 -0.15057 0.09243 -0.01273 155 8 Cu 1S -0.04346 -0.01718 -0.00985 -0.04942 -0.08641 156 2S -0.05661 -0.04586 -0.02683 -0.10333 -0.20919 157 3S 1.14750 -0.03080 -0.05064 1.01113 -0.52985 158 4PX -0.00835 -0.00381 -0.00184 -0.01653 0.01270 159 4PY -0.00331 -0.00007 0.01157 0.00359 -0.00380 160 4PZ 0.00177 -0.01061 0.00516 -0.00255 0.00345 161 5PX 0.39087 0.04924 0.03306 0.04781 -0.47937 162 5PY 0.15470 -0.04283 -0.17404 0.06991 0.21144 163 5PZ -0.03130 0.17182 -0.02702 -0.07476 -0.19730 164 6PX -0.14340 -0.31954 -0.21764 0.17921 -0.13082 165 6PY 0.00062 0.03188 0.47367 0.29587 0.08401 166 6PZ -0.14400 -0.44687 0.18499 -0.27763 -0.06775 167 7D 0 0.17224 0.13889 -0.11688 0.03734 -0.07235 168 7D+1 -0.02870 -0.02088 -0.01678 0.02128 0.12635 169 7D-1 0.14731 -0.01501 0.00269 0.17794 -0.05061 170 7D+2 0.01000 -0.01227 -0.13262 -0.05812 0.10848 171 7D-2 0.17312 0.02209 0.02981 -0.01162 -0.13878 172 8D 0 -0.31455 -0.24281 0.20644 -0.05525 0.14878 173 8D+1 0.04108 0.03372 0.03509 -0.02953 -0.24745 174 8D-1 -0.28363 0.02811 -0.00414 -0.34348 0.09627 175 8D+2 -0.02665 0.01821 0.23226 0.08117 -0.22487 176 8D-2 -0.31119 -0.04265 -0.04817 0.01202 0.27214 177 9 C 1S -0.00052 0.00049 -0.00066 -0.00168 -0.00466 178 2S 0.01301 -0.01241 0.02140 -0.58394 0.67973 179 3S -0.01582 0.02874 -0.05620 1.95647 -1.03781 180 4PX -0.03383 -0.03613 -0.02376 -0.13596 0.12069 181 4PY -0.03457 0.00885 -0.03687 0.26997 -0.24088 182 4PZ -0.01249 0.02790 -0.01883 -0.25414 0.22537 183 5PX -0.22255 -0.19959 -0.14840 -0.12191 -0.07960 184 5PY -0.19891 0.04492 -0.19903 0.24182 0.15335 185 5PZ -0.09801 0.14841 -0.11911 -0.21067 -0.16169 186 10 O 1S 0.00012 -0.00011 0.00019 -0.00134 -0.00058 187 2S 0.00087 0.00043 -0.00015 -0.07249 0.11721 188 3S -0.00180 -0.00181 0.00144 0.07389 -0.10713 189 4PX -0.02559 -0.08496 -0.06027 -0.07049 0.04368 190 4PY -0.02664 0.02042 -0.08358 0.14309 -0.09381 191 4PZ -0.01013 0.06365 -0.04863 -0.12279 0.07241 192 5PX 0.11295 0.20919 0.15381 0.01973 0.06810 193 5PY 0.10043 -0.04747 0.20083 -0.03894 -0.12650 194 5PZ 0.05105 -0.15997 0.12761 0.02210 0.14220 166 167 168 169 170 V V V V V EIGENVALUES -- 0.99768 1.05843 1.05891 1.06043 1.06052 1 1 Cu 1S 0.09238 -0.00191 -0.01851 -0.00527 -0.00791 2 2S 0.17834 -0.00409 -0.05631 0.02026 0.02400 3 3S -0.00948 0.01199 0.17485 -0.04786 -0.06107 4 4PX -0.00294 0.01359 -0.00146 -0.00839 -0.00251 5 4PY 0.00608 -0.00161 0.00916 0.00396 0.00432 6 4PZ -0.00576 -0.01029 -0.00132 -0.00316 -0.01071 7 5PX 0.07493 -0.21542 0.05046 0.05694 -0.02562 8 5PY 0.20252 0.02105 -0.17762 -0.08412 -0.10558 9 5PZ 0.05623 0.16363 0.06837 -0.01578 0.06174 10 6PX -0.10559 -0.01696 -0.01030 -0.02379 0.08742 11 6PY 0.10705 -0.00133 -0.08262 0.04786 0.03801 12 6PZ -0.17742 0.01541 0.00966 0.07766 0.02047 13 7D 0 -0.01663 0.03847 0.03726 0.03529 0.05232 14 7D+1 0.15917 0.02598 0.09246 0.08864 0.14607 15 7D-1 0.05963 0.14863 -0.16706 -0.07070 0.02041 16 7D+2 -0.10361 -0.10039 -0.03573 0.02814 -0.02753 17 7D-2 0.10112 -0.21399 -0.06080 0.09120 -0.05098 18 8D 0 0.04328 -0.06454 -0.07659 -0.06637 -0.09804 19 8D+1 -0.33401 -0.06165 -0.20271 -0.17297 -0.29156 20 8D-1 -0.15112 -0.31455 0.34925 0.16238 -0.03128 21 8D+2 0.22166 0.20541 0.08522 -0.05005 0.07315 22 8D-2 -0.23336 0.45746 0.12050 -0.19058 0.11759 23 2 Cu 1S -0.03058 -0.02666 0.02273 0.02412 -0.05401 24 2S -0.13697 -0.06852 0.05546 0.04596 -0.10179 25 3S -1.44264 0.11540 -0.14865 -0.42331 0.96012 26 4PX 0.00586 -0.00545 0.00228 -0.00664 0.01501 27 4PY -0.00398 0.00312 -0.00897 -0.01952 0.00181 28 4PZ 0.00419 -0.00958 0.00088 -0.01228 -0.01599 29 5PX 0.16862 0.17595 -0.09650 0.10759 -0.26548 30 5PY 0.57108 -0.06496 0.21831 0.10577 -0.04534 31 5PZ -0.54858 0.22084 0.02118 0.01972 0.11909 32 6PX 0.37680 -0.03506 0.04123 0.09476 -0.21831 33 6PY -0.03037 0.02934 0.06307 -0.00308 -0.08674 34 6PZ 0.03809 0.03948 0.04643 -0.07173 0.06465 35 7D 0 0.03274 0.05804 0.01992 0.08754 0.08650 36 7D+1 0.06173 0.01759 0.03475 0.09994 0.16619 37 7D-1 -0.13783 0.12804 -0.09540 -0.03884 0.05096 38 7D+2 -0.07377 -0.01160 0.05335 0.09811 -0.03765 39 7D-2 -0.06374 0.04598 0.02643 0.17645 -0.04252 40 8D 0 -0.06544 -0.10487 -0.03108 -0.19338 -0.18479 41 8D+1 -0.10048 -0.03434 -0.05892 -0.18761 -0.32557 42 8D-1 0.33895 -0.24844 0.18422 0.08047 -0.10643 43 8D+2 0.15260 0.02145 -0.09595 -0.20938 0.07789 44 8D-2 0.10556 -0.08079 -0.04968 -0.34023 0.08946 45 3 Cu 1S 0.03933 0.00023 0.00017 0.00015 0.00029 46 2S 0.13095 0.00031 0.00020 0.00033 0.00046 47 3S 1.42353 0.00146 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0.01352 -0.06061 0.00765 68 2S -0.13619 0.07324 0.03482 -0.11570 0.01463 69 3S -1.46720 -0.10160 -0.04805 1.04560 -0.13407 70 4PX 0.00127 0.00508 -0.00290 -0.01416 -0.01903 71 4PY -0.00350 -0.00477 -0.00589 0.01327 -0.01555 72 4PZ 0.00753 0.00916 0.00327 0.00953 -0.00467 73 5PX -0.43531 -0.11183 0.12845 0.16265 0.07366 74 5PY 0.68353 0.08210 0.15687 -0.16485 0.08984 75 5PZ -0.11906 -0.26732 -0.09174 -0.20367 0.03464 76 6PX -0.09047 -0.04461 0.06674 0.12333 -0.05714 77 6PY 0.04764 -0.01013 0.05450 -0.15055 -0.00867 78 6PZ 0.37854 0.02349 0.02530 -0.18164 0.01581 79 7D 0 -0.00117 0.05309 0.04280 0.01822 0.06128 80 7D+1 0.07549 -0.03250 0.04422 0.11701 0.19349 81 7D-1 -0.13765 -0.06744 0.00311 -0.09484 0.13961 82 7D+2 -0.05684 -0.06509 -0.00104 0.03297 0.03175 83 7D-2 -0.07628 -0.10428 -0.07146 0.11716 -0.07073 84 8D 0 0.01811 -0.09592 -0.07638 -0.02856 -0.12033 85 8D+1 -0.14510 0.05770 -0.07595 -0.23638 -0.38055 86 8D-1 0.27838 0.12554 -0.00224 0.19095 -0.27007 87 8D+2 0.14018 0.12313 0.00969 -0.07061 -0.08987 88 8D-2 0.21640 0.20527 0.13356 -0.23750 0.15164 89 5 Cu 1S 0.09914 -0.00060 -0.00148 0.00114 0.00085 90 2S 0.47526 -0.00137 -0.00458 0.00424 0.00374 91 3S 1.73898 0.00673 0.00623 -0.00303 0.00478 92 4PX 0.01452 -0.01274 0.00984 0.00552 -0.01188 93 4PY -0.02817 0.00318 0.01231 -0.00823 -0.00663 94 4PZ 0.02769 0.01008 0.00722 -0.01126 -0.00015 95 5PX -1.25606 0.23073 -0.15149 0.00407 -0.06335 96 5PY 2.50684 -0.06720 -0.22389 -0.01146 -0.02379 97 5PZ -2.34473 -0.18274 -0.11774 -0.04556 -0.02460 98 6PX 0.11275 0.16986 -0.12053 0.03787 -0.10566 99 6PY -0.22319 -0.04557 -0.15404 -0.06065 -0.06397 100 6PZ 0.21124 -0.14083 -0.10407 -0.08032 -0.00969 101 7D 0 0.00626 0.06049 -0.03144 0.00921 0.03685 102 7D+1 0.01927 -0.01717 -0.19478 0.07837 0.10809 103 7D-1 -0.04492 0.12141 -0.08421 -0.04942 0.09154 104 7D+2 -0.01826 -0.08833 0.06324 0.04058 -0.03433 105 7D-2 -0.02615 -0.15604 -0.07856 0.13789 -0.03102 106 8D 0 -0.03050 -0.12201 0.06653 -0.00022 -0.08125 107 8D+1 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127 7D-2 -0.14832 0.09524 0.06316 0.15595 -0.02966 128 8D 0 -0.23292 -0.04443 0.14547 -0.04526 -0.05484 129 8D+1 0.23330 -0.06085 0.49736 -0.05280 -0.17859 130 8D-1 -0.14712 -0.42600 0.17319 -0.04503 -0.13177 131 8D+2 0.08996 -0.08818 -0.17970 -0.12793 0.03403 132 8D-2 0.30935 -0.20331 -0.14328 -0.30811 0.06038 133 7 Cu 1S -0.03189 -0.00145 -0.03556 0.03628 0.04614 134 2S -0.14139 -0.00475 -0.08894 0.06849 0.08546 135 3S -1.43196 -0.00994 0.20919 -0.65019 -0.85635 136 4PX 0.00070 0.00629 -0.00336 0.02308 -0.00217 137 4PY -0.00744 0.00006 0.00946 0.00274 0.01032 138 4PZ 0.00313 -0.00473 -0.00765 -0.00233 0.02004 139 5PX -0.44427 -0.16151 0.06997 -0.16426 -0.08097 140 5PY 0.15391 -0.00152 -0.27660 -0.10609 -0.18711 141 5PZ -0.65211 0.12544 0.14208 -0.06842 -0.17749 142 6PX -0.10807 -0.07236 0.03672 -0.04625 -0.13658 143 6PY -0.34475 0.01193 0.04575 -0.11248 -0.13324 144 6PZ -0.05241 0.04909 0.01977 -0.11917 -0.10258 145 7D 0 0.03478 0.03325 -0.01029 0.06134 -0.00649 146 7D+1 0.06978 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0.01211 -0.00014 186 10 O 1S -0.00053 -0.00005 -0.00009 0.00000 0.00002 187 2S -0.07392 0.00120 0.00222 -0.00072 -0.00051 188 3S 0.05842 -0.00170 -0.00244 0.00060 -0.00024 189 4PX -0.03200 -0.00862 0.00606 0.00003 0.00026 190 4PY 0.06666 0.00192 0.00623 0.00031 0.00062 191 4PZ -0.05490 0.00830 0.00588 -0.00065 0.00008 192 5PX 0.03197 0.02067 -0.01269 0.00476 -0.01321 193 5PY -0.06774 -0.00600 -0.01666 -0.00773 -0.00849 194 5PZ 0.05025 -0.01778 -0.01175 -0.01060 -0.00080 171 172 173 174 175 V V V V V EIGENVALUES -- 1.08722 1.17083 1.17866 1.17956 1.23181 1 1 Cu 1S 0.00698 0.09753 -0.18932 0.01488 -0.01216 2 2S 0.01439 0.13757 -0.20088 0.01638 -0.00736 3 3S -0.06701 -1.80600 4.40768 -0.33342 0.10876 4 4PX -0.00312 -0.01020 0.02496 -0.00759 0.00169 5 4PY -0.01301 -0.00234 0.03185 -0.00104 -0.01895 6 4PZ -0.00110 -0.01395 0.02776 0.00184 0.00904 7 5PX 0.06645 0.41256 -0.98732 0.30059 -0.03102 8 5PY 0.24328 0.09189 -0.81148 0.01746 0.11804 9 5PZ 0.03128 0.55861 -1.20754 -0.06807 -0.09530 10 6PX -0.03676 -0.00008 -0.28604 -0.21580 -0.05215 11 6PY -0.00919 0.46309 -0.00404 0.05376 -0.01238 12 6PZ -0.05268 -0.12620 -0.36236 0.18739 -0.04743 13 7D 0 -0.05670 0.06734 -0.04499 -0.05165 -0.05816 14 7D+1 -0.03848 0.10650 -0.19608 0.03292 0.00232 15 7D-1 0.18054 0.02100 -0.16239 -0.02238 0.01904 16 7D+2 -0.00383 0.04947 -0.00045 0.04612 -0.07581 17 7D-2 0.13231 0.01012 -0.14143 0.03902 0.04095 18 8D 0 0.12469 -0.17795 0.12753 0.14841 0.13648 19 8D+1 0.09045 -0.26156 0.51291 -0.09358 0.00190 20 8D-1 -0.40322 -0.07031 0.41143 0.04689 -0.04327 21 8D+2 0.00289 -0.14797 0.01070 -0.12271 0.17071 22 8D-2 -0.29277 -0.02968 0.35862 -0.08121 -0.09131 23 2 Cu 1S -0.00552 0.01655 0.01221 -0.02468 0.04194 24 2S -0.04583 0.08105 0.08910 -0.17910 0.10498 25 3S -0.60515 0.40227 0.64215 -1.29668 -0.00965 26 4PX -0.01899 0.01388 0.00214 -0.00450 -0.00041 27 4PY 0.00639 -0.00792 -0.00689 -0.01380 0.00682 28 4PZ -0.00540 0.00774 -0.01523 0.00296 -0.01819 29 5PX 0.22801 0.55055 -0.53809 1.06770 -0.06927 30 5PY 0.10461 -0.81606 -0.97386 -0.38848 -0.14405 31 5PZ -0.11151 0.80775 -0.89613 -0.57507 0.16310 32 6PX 0.16103 0.43236 -0.29095 0.57906 -0.02074 33 6PY -0.01560 -0.62144 -0.60645 -0.21859 0.04076 34 6PZ 0.00689 0.61206 -0.53749 -0.35573 -0.17624 35 7D 0 0.00205 -0.09078 0.19112 0.03900 -0.02214 36 7D+1 -0.07541 0.05905 -0.05768 -0.03651 0.05761 37 7D-1 0.10887 0.01509 -0.01273 0.00577 0.18338 38 7D+2 0.00944 0.14718 0.05937 0.12884 0.05730 39 7D-2 0.07995 -0.06605 -0.06730 -0.03021 0.02196 40 8D 0 -0.01594 0.25569 -0.57369 -0.10992 0.04550 41 8D+1 0.15680 -0.18585 0.12013 0.11067 -0.13884 42 8D-1 -0.19901 0.00613 0.02994 0.00231 -0.46689 43 8D+2 0.00227 -0.40756 -0.17364 -0.39579 -0.14165 44 8D-2 -0.16692 0.20922 0.17196 0.04897 -0.05953 45 3 Cu 1S 0.01799 -0.27872 -0.00263 -0.00596 0.00250 46 2S 0.01391 -0.38375 -0.00314 -0.00728 0.00469 47 3S 0.95694 5.36414 0.06287 0.12964 -0.03943 48 4PX -0.00593 -0.01801 0.00194 -0.00449 0.00977 49 4PY 0.01171 0.03589 0.00394 0.00133 0.01170 50 4PZ -0.01110 -0.03395 0.00219 0.00169 0.00751 51 5PX 0.10397 0.65247 -0.09820 0.22251 -0.07514 52 5PY -0.20362 -1.30671 -0.19443 -0.05530 -0.08350 53 5PZ 0.19424 1.24237 -0.11816 -0.10175 -0.05939 54 6PX 0.03406 0.15593 0.15026 -0.28687 -0.01090 55 6PY -0.06970 -0.30054 0.24968 0.02613 -0.00745 56 6PZ 0.06598 0.27558 0.18794 0.19471 -0.01090 57 7D 0 -0.01566 -0.04362 0.04381 0.04580 0.04728 58 7D+1 -0.05117 -0.12872 0.02734 -0.02924 0.00924 59 7D-1 0.09753 0.25761 0.00854 -0.01266 -0.00500 60 7D+2 0.03902 0.10191 0.05055 -0.01757 0.09326 61 7D-2 0.05124 0.13570 -0.00528 0.04358 -0.03848 62 8D 0 0.03092 0.11169 -0.11766 -0.13407 -0.11026 63 8D+1 0.10188 0.32628 -0.05139 0.07843 -0.02762 64 8D-1 -0.19330 -0.65373 -0.01540 0.01940 0.00897 65 8D+2 -0.07730 -0.25906 -0.14369 0.06068 -0.21346 66 8D-2 -0.10153 -0.34469 0.02761 -0.10053 0.08656 67 4 Cu 1S -0.00515 0.01598 0.01493 0.02201 0.02815 68 2S -0.04470 0.07519 0.11110 0.16479 0.07097 69 3S -0.60998 0.35974 0.81181 1.21064 0.00229 70 4PX 0.00186 0.00106 -0.01628 0.00162 -0.01353 71 4PY 0.00291 -0.00620 -0.00169 0.01468 0.00434 72 4PZ -0.02054 0.01676 -0.00177 0.00185 -0.00578 73 5PX -0.14442 0.36426 -0.76175 1.05625 0.10677 74 5PY 0.17014 -0.80161 -0.89618 0.12041 -0.11789 75 5PZ 0.15695 0.95445 -0.74692 -0.72260 0.00935 76 6PX -0.04245 0.27157 -0.47354 0.63202 -0.13815 77 6PY 0.02136 -0.60400 -0.55481 0.06198 0.01869 78 6PZ 0.15840 0.72870 -0.40641 -0.36962 -0.07002 79 7D 0 -0.06546 0.18913 -0.04197 -0.05392 0.04478 80 7D+1 -0.04666 -0.05825 0.03318 0.03882 0.02596 81 7D-1 0.11533 0.00767 -0.05637 -0.01606 0.08253 82 7D+2 0.04217 0.01663 0.17673 -0.12997 0.02982 83 7D-2 0.05555 0.02375 -0.07119 0.05351 0.10581 84 8D 0 0.15336 -0.54930 0.10941 0.16382 -0.10585 85 8D+1 0.08358 0.14958 -0.14744 -0.10577 -0.06745 86 8D-1 -0.22168 0.01729 0.15130 0.08537 -0.21029 87 8D+2 -0.07587 -0.02765 -0.51332 0.36855 -0.08359 88 8D-2 -0.09544 -0.03568 0.19489 -0.18483 -0.26531 89 5 Cu 1S 0.04609 -0.02054 0.00272 0.00117 0.00061 90 2S 0.25478 -0.18986 0.00583 -0.00023 0.00018 91 3S 0.53000 -1.24800 -0.02294 -0.03566 -0.02609 92 4PX 0.00591 -0.01039 -0.01237 0.02391 0.01059 93 4PY -0.01125 0.01986 -0.02128 -0.00251 0.01216 94 4PZ 0.01126 -0.01820 -0.01538 -0.01590 0.00824 95 5PX -0.56222 0.26266 -0.41193 0.79173 -0.15725 96 5PY 1.11543 -0.54043 -0.68052 -0.09094 -0.21564 97 5PZ -1.05223 0.53721 -0.51040 -0.50603 -0.11468 98 6PX 0.02960 0.27230 -0.17501 0.35972 0.21870 99 6PY -0.05099 -0.56178 -0.31628 -0.05636 0.26768 100 6PZ 0.06253 0.53309 -0.21393 -0.21241 0.16647 101 7D 0 -0.02843 0.01146 -0.11993 -0.16004 -0.13806 102 7D+1 -0.08056 0.01873 -0.01087 0.07212 -0.26703 103 7D-1 0.15643 -0.04018 0.00612 0.00386 -0.09532 104 7D+2 0.06107 -0.01638 -0.16129 0.09493 -0.10775 105 7D-2 0.08368 -0.02049 0.05962 -0.06028 -0.02295 106 8D 0 0.05111 -0.03782 0.34951 0.47920 0.35508 107 8D+1 0.13935 -0.06812 0.00538 -0.21098 0.70078 108 8D-1 -0.26721 0.14527 -0.02597 0.00813 0.25081 109 8D+2 -0.10340 0.05955 0.48010 -0.29200 0.26693 110 8D-2 -0.14218 0.07602 -0.18948 0.15714 0.06649 111 6 Cu 1S 0.00536 0.09023 0.10692 0.16053 0.00410 112 2S 0.00988 0.12899 0.11265 0.16912 0.00143 113 3S -0.06560 -1.65036 -2.49287 -3.73570 -0.04214 114 4PX -0.00279 -0.00905 -0.00878 -0.02368 -0.00953 115 4PY 0.00061 0.01305 0.01863 0.02091 -0.00160 116 4PZ 0.01314 0.00197 0.01963 0.02764 -0.00953 117 5PX 0.06042 0.36413 0.34865 0.93383 0.10387 118 5PY -0.02601 -0.52103 -0.80542 -0.93409 0.01612 119 5PZ -0.24570 -0.09353 -0.52788 -0.71635 0.07157 120 6PX -0.03559 -0.02403 0.33895 0.08348 -0.06225 121 6PY 0.04525 0.15856 -0.07548 -0.39767 -0.07882 122 6PZ 0.01457 -0.45755 0.00873 -0.06437 -0.02042 123 7D 0 0.05097 -0.07446 0.00535 -0.01477 -0.03955 124 7D+1 -0.12343 -0.01095 -0.05449 -0.13986 0.03138 125 7D-1 0.17635 0.02411 0.12489 0.12450 -0.00797 126 7D+2 0.05183 -0.03575 -0.08123 0.00091 0.04900 127 7D-2 0.04391 -0.09692 -0.08916 -0.17044 -0.02540 128 8D 0 -0.10810 0.20968 -0.00044 0.04869 0.09024 129 8D+1 0.27334 0.03191 0.15242 0.34468 -0.07464 130 8D-1 -0.39432 -0.07967 -0.31153 -0.32270 0.01894 131 8D+2 -0.11732 0.08429 0.22445 -0.00671 -0.12432 132 8D-2 -0.10219 0.23661 0.22597 0.45110 0.06730 133 7 Cu 1S -0.00761 0.01742 -0.02837 0.00243 -0.07297 134 2S -0.05142 0.08325 -0.20171 0.01612 -0.18170 135 3S -0.58910 0.39582 -1.44030 0.10894 0.06090 136 4PX 0.00243 0.00026 0.00912 0.01327 0.01376 137 4PY 0.02027 -0.01695 -0.00094 -0.00285 -0.01185 138 4PZ -0.00157 0.00540 0.01095 -0.01067 0.02404 139 5PX -0.15135 0.34609 -0.39550 1.23110 -0.21394 140 5PY -0.14607 -0.95444 -1.03260 -0.16472 0.04007 141 5PZ -0.17821 0.77802 -0.47021 -0.80837 -0.31604 142 6PX -0.04256 0.25939 -0.22082 0.75307 0.10928 143 6PY -0.14920 -0.73164 -0.55081 -0.11193 -0.11239 144 6PZ -0.02457 0.57895 -0.27909 -0.49159 0.19862 145 7D 0 0.00915 -0.10841 -0.02743 0.19423 0.13148 146 7D+1 -0.04858 -0.01858 0.00449 -0.07583 0.27061 147 7D-1 0.11055 0.01868 0.04987 0.02642 -0.13241 148 7D+2 0.08328 -0.14684 -0.06260 -0.11346 -0.00578 149 7D-2 0.04606 0.06565 0.05762 0.01483 -0.06970 150 8D 0 -0.03589 0.30219 0.07253 -0.56472 -0.32244 151 8D+1 0.08144 0.02346 -0.04540 0.22785 -0.68511 152 8D-1 -0.20995 -0.01383 -0.16505 -0.04129 0.33942 153 8D+2 -0.18123 0.43920 0.18117 0.31374 0.03116 154 8D-2 -0.08079 -0.16745 -0.19156 -0.08607 0.17326 155 8 Cu 1S 0.00654 0.09853 0.08440 -0.16891 0.00598 156 2S 0.01347 0.13790 0.08874 -0.17711 0.00269 157 3S -0.06803 -1.84537 -1.97139 3.94874 -0.04703 158 4PX 0.01313 0.00940 0.01977 -0.03989 -0.00937 159 4PY -0.00214 0.01072 0.01127 -0.01108 0.00080 160 4PZ 0.00163 -0.01074 -0.00251 0.01611 -0.01281 161 5PX -0.25077 -0.37233 -0.61720 1.22729 0.05982 162 5PY 0.02990 -0.43223 -0.52365 0.61586 0.00231 163 5PZ -0.02350 0.43201 0.17363 -0.78991 0.12370 164 6PX 0.03297 -0.39094 -0.08487 0.16936 -0.02579 165 6PY 0.03398 0.20311 0.05178 0.36161 -0.08532 166 6PZ -0.03900 -0.19323 0.30935 -0.17512 -0.03634 167 7D 0 -0.07394 0.01424 -0.07217 0.04701 0.07664 168 7D+1 -0.08146 -0.07567 -0.02964 0.17050 -0.01739 169 7D-1 0.12337 -0.08451 -0.04651 0.09191 -0.00497 170 7D+2 0.14262 -0.02468 0.03648 -0.12472 -0.03022 171 7D-2 0.08233 0.07628 0.11836 -0.12518 0.00885 172 8D 0 0.16181 -0.04223 0.20131 -0.10513 -0.18642 173 8D+1 0.18222 0.20687 0.08761 -0.43808 0.04274 174 8D-1 -0.28028 0.19591 0.12244 -0.24664 0.01642 175 8D+2 -0.31329 0.06973 -0.07680 0.31461 0.06248 176 8D-2 -0.18458 -0.21032 -0.29856 0.33081 -0.01937 177 9 C 1S 0.01775 -0.00171 -0.00054 -0.00029 -0.00016 178 2S -0.68776 -0.13130 -0.00494 -0.00680 0.00469 179 3S 1.59358 0.02477 0.00271 0.00639 -0.01807 180 4PX 0.09119 -0.02995 -0.00298 -0.00081 -0.04901 181 4PY -0.18441 0.06020 0.00349 0.00348 -0.06067 182 4PZ 0.16756 -0.05509 -0.00445 -0.00309 -0.03750 183 5PX -0.20121 -0.06338 -0.14678 0.27328 -0.05592 184 5PY 0.40110 0.11948 -0.23736 -0.02462 -0.08032 185 5PZ -0.37339 -0.10254 -0.18325 -0.18395 -0.04024 186 10 O 1S 0.00164 -0.00531 0.00040 0.00010 0.00039 187 2S -0.00616 0.00304 -0.00788 -0.00400 -0.00402 188 3S -0.13757 0.10578 0.01265 0.00824 0.00303 189 4PX 0.00355 -0.00585 -0.04334 0.08038 -0.01144 190 4PY -0.00747 0.01053 -0.07102 -0.00782 -0.01632 191 4PZ 0.00665 -0.00482 -0.05265 -0.05195 -0.00838 192 5PX 0.05072 -0.02917 0.12404 -0.23791 0.05993 193 5PY -0.10056 0.06388 0.21253 0.02754 0.07707 194 5PZ 0.09385 -0.06938 0.14995 0.14894 0.04586 176 177 178 179 180 V V V V V EIGENVALUES -- 1.23370 1.28193 1.31044 1.31055 1.31674 1 1 Cu 1S -0.00084 0.00036 0.00479 -0.00011 -0.00470 2 2S 0.00053 0.00062 -0.00471 0.00097 -0.00408 3 3S 0.01882 -0.00243 0.01185 0.00163 0.04562 4 4PX 0.00909 -0.01603 -0.00008 0.00764 -0.01480 5 4PY -0.00331 0.00282 -0.00479 -0.00097 0.00232 6 4PZ -0.00539 0.01152 0.00025 -0.00545 0.01243 7 5PX -0.09654 0.26819 -0.20861 -0.57276 -0.10119 8 5PY 0.02444 -0.04830 0.81371 0.05215 0.04710 9 5PZ 0.05311 -0.19130 -0.41585 0.44361 0.02042 10 6PX 0.07871 -0.13220 0.13856 0.46765 0.06047 11 6PY -0.01591 0.02455 -0.59793 -0.04661 -0.04467 12 6PZ -0.06568 0.09507 0.27987 -0.35962 -0.02998 13 7D 0 0.04635 -0.13380 -0.12329 0.17089 -0.05101 14 7D+1 -0.02138 0.05189 -0.05112 -0.05529 0.01120 15 7D-1 -0.00009 -0.02053 0.03509 0.05007 -0.01805 16 7D+2 -0.03338 0.07832 -0.18192 -0.09752 0.02484 17 7D-2 0.02033 -0.01180 0.08058 -0.02841 0.02892 18 8D 0 -0.11923 0.35378 0.36963 -0.50443 0.11330 19 8D+1 0.05534 -0.13653 0.16441 0.16221 -0.02163 20 8D-1 0.00040 0.05886 -0.11407 -0.14790 0.03012 21 8D+2 0.08286 -0.20949 0.53487 0.28793 -0.04506 22 8D-2 -0.05006 0.02515 -0.24292 0.08501 -0.06236 23 2 Cu 1S -0.05832 0.00015 -0.02666 -0.04058 0.01049 24 2S -0.14614 0.00029 -0.08400 -0.12768 0.05719 25 3S 0.02802 -0.00251 -0.51752 -0.77171 1.43444 26 4PX 0.00003 -0.00043 -0.02071 -0.03293 0.00611 27 4PY -0.02184 -0.00745 0.03155 -0.00958 0.03156 28 4PZ 0.01254 -0.00795 0.02239 -0.02511 -0.03350 29 5PX 0.09574 0.00461 0.51055 0.80537 -0.46775 30 5PY 0.22486 -0.03664 -0.53606 0.28274 -0.79402 31 5PZ -0.20634 -0.03337 -0.48820 0.39453 0.92363 32 6PX 0.01960 -0.00210 -0.20022 -0.33404 -0.33655 33 6PY -0.20176 0.03956 0.61087 -0.07461 0.42394 34 6PZ 0.09147 0.03513 0.31296 -0.55844 -0.38616 35 7D 0 0.03348 0.04781 0.09153 -0.15650 -0.00511 36 7D+1 0.00511 0.20011 0.02455 -0.06680 0.24540 37 7D-1 -0.25854 -0.00599 -0.03523 -0.04098 -0.02133 38 7D+2 -0.07235 0.04045 0.15293 0.05573 -0.01424 39 7D-2 0.05231 0.19120 0.06177 0.00663 -0.22539 40 8D 0 -0.08355 -0.14587 -0.27066 0.44705 0.00867 41 8D+1 -0.01882 -0.54353 -0.10639 0.20656 -0.70133 42 8D-1 0.65947 0.01701 0.11685 0.13854 0.07835 43 8D+2 0.17099 -0.11897 -0.43586 -0.14651 0.05609 44 8D-2 -0.12355 -0.51897 -0.20425 0.00695 0.64138 45 3 Cu 1S 0.00179 0.00028 -0.00122 0.00180 0.00181 46 2S 0.00360 0.00051 -0.00268 0.00421 0.00429 47 3S -0.01736 -0.00169 0.01635 -0.00922 -0.00138 48 4PX -0.01268 0.00020 0.00503 0.00731 -0.02387 49 4PY 0.00367 -0.00002 0.00673 -0.00164 -0.00141 50 4PZ 0.01071 -0.00013 0.00445 -0.00580 0.01082 51 5PX 0.09339 -0.00089 0.21880 0.31238 0.71088 52 5PY -0.02546 0.00032 0.28511 -0.07245 0.04238 53 5PZ -0.07971 0.00045 0.18621 -0.23901 -0.32587 54 6PX 0.01277 -0.00089 -0.16822 -0.24436 -0.55863 55 6PY -0.00263 0.00026 -0.22319 0.05664 -0.03502 56 6PZ -0.01412 0.00030 -0.14191 0.18640 0.25762 57 7D 0 0.09559 -0.00084 -0.02565 0.04139 0.19017 58 7D+1 -0.03677 0.00023 -0.01342 -0.01737 -0.13155 59 7D-1 -0.00115 0.00011 -0.00191 -0.00607 -0.05039 60 7D+2 -0.03591 0.00039 -0.04224 -0.01549 -0.16566 61 7D-2 0.02336 -0.00064 0.01396 0.02050 0.15461 62 8D 0 -0.21901 0.00192 0.09262 -0.13936 -0.53040 63 8D+1 0.08438 -0.00044 0.06354 0.05929 0.36447 64 8D-1 0.00644 -0.00026 0.01332 0.03266 0.13715 65 8D+2 0.08019 -0.00081 0.14182 0.04576 0.46287 66 8D-2 -0.05932 0.00160 -0.04077 -0.08553 -0.42707 67 4 Cu 1S 0.06432 -0.00053 -0.02079 0.04191 -0.00784 68 2S 0.16101 -0.00139 -0.06673 0.13315 -0.04185 69 3S -0.02531 0.00223 -0.43451 0.83799 -1.02627 70 4PX -0.00943 0.00894 0.03591 0.01197 0.02415 71 4PY 0.02425 0.00582 0.02299 0.01004 -0.02294 72 4PZ -0.00937 0.00174 -0.01215 0.03871 0.00850 73 5PX 0.18783 0.04355 -0.74908 -0.10896 -0.85648 74 5PY -0.30013 0.03188 -0.35353 -0.35804 0.54748 75 5PZ 0.01659 0.00296 0.29193 -0.86278 -0.04705 76 6PX -0.06372 -0.04356 0.53368 0.37544 0.19065 77 6PY 0.21393 -0.03192 0.48510 -0.00024 -0.23376 78 6PZ -0.10517 -0.00426 -0.11309 0.48901 0.37808 79 7D 0 0.06118 -0.07035 0.07029 -0.06549 -0.14205 80 7D+1 -0.06784 -0.21989 0.06709 0.13599 -0.12616 81 7D-1 0.09370 -0.15576 0.08262 -0.04192 0.13165 82 7D+2 0.12889 0.05017 0.10891 0.07735 0.04838 83 7D-2 0.24453 0.02130 -0.10264 0.03921 -0.08357 84 8D 0 -0.13785 0.19255 -0.21173 0.17953 0.39854 85 8D+1 0.17032 0.60368 -0.23438 -0.39805 0.36958 86 8D-1 -0.24288 0.42438 -0.25391 0.08845 -0.38074 87 8D+2 -0.32420 -0.12080 -0.29507 -0.22548 -0.15134 88 8D-2 -0.62239 -0.06525 0.30438 -0.12669 0.23141 89 5 Cu 1S 0.00048 -0.00003 -0.00133 0.00102 -0.00019 90 2S 0.00054 -0.00015 -0.00289 0.00205 -0.00093 91 3S -0.00319 -0.00112 0.02147 -0.01385 -0.01303 92 4PX -0.01318 0.00044 -0.02925 -0.04257 -0.01361 93 4PY 0.00351 0.00006 -0.03889 0.01019 -0.00059 94 4PZ 0.01155 -0.00025 -0.02585 0.03340 0.00645 95 5PX 0.22148 -0.00875 0.78036 1.15532 -0.19145 96 5PY -0.06466 -0.00059 1.06741 -0.28361 -0.02063 97 5PZ -0.18628 0.00582 0.68757 -0.89863 0.09035 98 6PX -0.28777 0.00704 -0.42862 -0.64075 -0.01033 99 6PY 0.08425 0.00051 -0.57822 0.15725 0.00183 100 6PZ 0.24234 -0.00343 -0.38564 0.50935 0.00961 101 7D 0 -0.11827 0.00159 0.09040 -0.19579 -0.01659 102 7D+1 0.04250 -0.00078 -0.04253 0.07372 -0.02081 103 7D-1 0.16152 -0.00081 -0.03375 -0.03483 -0.04735 104 7D+2 -0.04249 -0.00075 0.18541 0.10362 0.02820 105 7D-2 -0.26104 0.00164 -0.09508 0.00233 0.04533 106 8D 0 0.29577 -0.00428 -0.25927 0.56633 0.04115 107 8D+1 -0.10559 0.00211 0.13069 -0.21256 0.07827 108 8D-1 -0.42610 0.00216 0.10120 0.10537 0.16181 109 8D+2 0.11771 0.00193 -0.53657 -0.30246 -0.08284 110 8D-2 0.68371 -0.00444 0.27791 -0.01369 -0.16200 111 6 Cu 1S 0.01057 0.00046 -0.00002 0.00149 -0.01249 112 2S 0.00547 0.00118 0.00700 -0.01112 -0.01109 113 3S -0.09939 0.00033 -0.00570 0.01317 0.11574 114 4PX 0.00102 0.01647 0.00744 0.00331 -0.01035 115 4PY 0.01124 0.01085 0.00479 0.00216 -0.01145 116 4PZ -0.01710 0.00296 -0.00073 0.00489 -0.00110 117 5PX 0.00040 -0.27333 -0.44723 -0.41526 -0.14857 118 5PY -0.11725 -0.18287 -0.56225 0.24770 0.04430 119 5PZ 0.10978 -0.04514 0.25744 -0.74234 -0.10614 120 6PX 0.07402 0.13522 0.36936 0.31166 0.08844 121 6PY -0.02866 0.09150 0.43115 -0.16009 0.01465 122 6PZ -0.00973 0.02175 -0.18824 0.55892 0.10756 123 7D 0 -0.09494 0.00231 -0.08575 0.20568 0.02974 124 7D+1 0.03146 -0.00469 0.06043 -0.04747 -0.03766 125 7D-1 -0.01403 0.02518 0.04385 0.04004 -0.00144 126 7D+2 -0.03082 -0.15136 -0.17984 -0.05710 0.03721 127 7D-2 0.00750 0.06140 0.03930 0.07357 -0.00182 128 8D 0 0.21806 -0.00756 0.25403 -0.60856 -0.08872 129 8D+1 -0.06952 0.00602 -0.18092 0.14336 0.08988 130 8D-1 0.03200 -0.07082 -0.12537 -0.12669 -0.01243 131 8D+2 0.07990 0.40104 0.53300 0.16013 -0.07385 132 8D-2 -0.01269 -0.16144 -0.10893 -0.22858 -0.00755 133 7 Cu 1S -0.00817 0.00010 0.04975 -0.00347 -0.00414 134 2S -0.02063 0.00026 0.15547 -0.01039 -0.01916 135 3S 0.00536 0.00094 0.91391 -0.04762 -0.39885 136 4PX 0.00992 -0.00893 -0.00502 0.03612 0.01854 137 4PY -0.00278 0.00155 -0.04056 -0.00421 -0.00544 138 4PZ -0.00317 0.00637 -0.00143 -0.02541 0.00235 139 5PX -0.04126 -0.03402 0.24076 -0.67473 -0.75991 140 5PY 0.00903 0.00787 0.90194 0.06995 0.10920 141 5PZ -0.02727 0.02535 0.19929 0.46055 0.09663 142 6PX 0.11372 0.03928 0.09318 0.59726 0.25287 143 6PY -0.03011 -0.00708 -0.51608 -0.08091 -0.18500 144 6PZ -0.05057 -0.02821 0.18795 -0.43924 -0.04469 145 7D 0 0.00066 0.02137 0.02235 -0.12286 -0.04198 146 7D+1 0.03006 0.01979 -0.08741 0.06777 0.05193 147 7D-1 -0.05299 0.16257 -0.07017 0.06908 0.00847 148 7D+2 0.02538 -0.09083 0.07942 0.02621 0.10979 149 7D-2 0.03944 -0.21373 -0.10287 -0.11874 0.07970 150 8D 0 -0.00825 -0.04381 -0.05632 0.34420 0.13282 151 8D+1 -0.07325 -0.06000 0.26605 -0.19740 -0.14739 152 8D-1 0.13400 -0.44357 0.17760 -0.22782 -0.02163 153 8D+2 -0.05829 0.24046 -0.23057 -0.05551 -0.31962 154 8D-2 -0.10161 0.58733 0.28466 0.38070 -0.23528 155 8 Cu 1S -0.00898 -0.00025 -0.00112 -0.00206 0.01920 156 2S -0.00380 -0.00045 0.00512 0.00893 0.01969 157 3S 0.09497 0.00416 -0.01385 -0.00698 -0.15695 158 4PX 0.01144 -0.00048 -0.00197 -0.00391 0.00035 159 4PY -0.01382 -0.01376 0.00631 -0.00268 0.00751 160 4PZ 0.00372 -0.01442 0.00519 -0.00503 0.00005 161 5PX -0.05642 0.00500 0.29129 0.48288 0.06475 162 5PY 0.13098 0.23344 -0.70987 -0.18795 -0.10406 163 5PZ -0.02867 0.23702 -0.15437 0.69407 0.17448 164 6PX 0.03113 -0.00042 -0.22319 -0.36523 -0.10500 165 6PY -0.00879 -0.11634 0.54049 0.11067 0.03116 166 6PZ -0.07916 -0.11735 0.15294 -0.51876 -0.09779 167 7D 0 -0.00762 0.13132 -0.06521 0.16644 0.02605 168 7D+1 0.01291 -0.04675 0.03634 -0.10764 0.00352 169 7D-1 0.00061 -0.00478 -0.01912 -0.03806 -0.01687 170 7D+2 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-0.00409 190 4PY -0.00530 0.00003 0.00976 -0.00260 -0.00078 191 4PZ -0.01328 -0.00005 0.00512 -0.00732 0.00200 192 5PX -0.08139 -0.00031 -0.00397 -0.00904 0.01100 193 5PY 0.02512 -0.00014 -0.00976 0.00377 0.00148 194 5PZ 0.06781 0.00004 -0.00199 0.00439 -0.00472 181 182 183 184 185 V V V V V EIGENVALUES -- 1.31704 1.32145 1.33051 1.33083 1.35495 1 1 Cu 1S 0.02120 -0.00029 -0.00809 0.00611 0.08259 2 2S 0.02428 -0.00040 -0.01318 0.00909 0.16166 3 3S -0.16339 0.00103 0.02217 -0.01863 -0.35443 4 4PX -0.00699 -0.00877 -0.00430 -0.00318 0.00348 5 4PY 0.00207 0.00156 0.00225 -0.00057 -0.02402 6 4PZ -0.00073 0.00636 0.00185 0.00322 0.01060 7 5PX 0.04229 -0.51269 0.38849 0.13270 -0.06434 8 5PY -0.11563 0.09002 -0.45791 0.40388 0.35807 9 5PZ 0.14673 0.36807 0.04806 -0.45587 -0.18621 10 6PX 0.01418 0.57485 -0.33135 -0.20369 0.03560 11 6PY 0.11936 -0.10120 0.41199 -0.35602 -0.05360 12 6PZ -0.05560 -0.41326 0.04759 0.35480 0.07325 13 7D 0 0.01645 0.10878 -0.02199 -0.16679 -0.09077 14 7D+1 0.01000 -0.04131 0.05999 0.00700 -0.05339 15 7D-1 -0.03069 0.02080 -0.04298 0.00547 0.03665 16 7D+2 0.04086 -0.06535 0.15735 -0.05459 -0.10019 17 7D-2 -0.02275 0.00395 -0.05015 0.05269 0.05698 18 8D 0 -0.05601 -0.37689 0.05857 0.50466 0.24597 19 8D+1 -0.02964 0.14358 -0.17677 -0.02241 0.13749 20 8D-1 0.08130 -0.06940 0.12243 -0.01299 -0.09400 21 8D+2 -0.10591 0.22497 -0.48134 0.17895 0.27621 22 8D-2 0.06878 -0.01730 0.15292 -0.15827 -0.15330 23 2 Cu 1S -0.00269 0.00046 -0.01106 -0.03045 0.02740 24 2S -0.01477 0.00248 -0.02813 -0.07876 0.06945 25 3S -0.36582 0.05966 0.07459 0.15903 -0.22505 26 4PX -0.00160 -0.00023 0.00987 0.03105 0.01034 27 4PY -0.01743 -0.02393 -0.00812 -0.02103 0.00440 28 4PZ -0.00144 -0.02706 0.00574 0.01985 -0.00529 29 5PX 0.12594 0.01455 -0.39487 -1.25820 -0.05852 30 5PY 0.64719 1.09192 0.57142 0.67323 -0.19939 31 5PZ 0.23517 1.20434 0.09605 -0.81609 0.19839 32 6PX 0.08928 -0.04754 0.32143 1.04764 0.23448 33 6PY -0.23587 -1.20860 -0.48670 -0.71894 0.02216 34 6PZ -0.03309 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0.15681 -0.01731 0.16139 0.53900 0.06338 55 6PY 0.45128 0.00023 -0.34399 0.25506 -0.15470 56 6PZ 0.40262 0.01015 -0.46134 -0.01035 0.10880 57 7D 0 0.24438 0.00777 -0.10743 -0.02017 -0.00580 58 7D+1 0.05232 -0.00431 0.02551 0.03053 -0.00144 59 7D-1 -0.00201 -0.00169 0.00379 -0.00329 0.00073 60 7D+2 0.21170 -0.00489 -0.02491 0.09762 -0.00484 61 7D-2 -0.02965 0.00517 0.00165 -0.04651 0.00134 62 8D 0 -0.68053 -0.02180 0.37753 0.06515 0.01832 63 8D+1 -0.14154 0.01205 -0.07871 -0.11828 0.00258 64 8D-1 0.00641 0.00439 -0.01756 0.00005 0.00009 65 8D+2 -0.59000 0.01385 0.09195 -0.33668 0.01598 66 8D-2 0.08551 -0.01401 0.00785 0.16596 -0.00288 67 4 Cu 1S -0.00796 -0.00056 0.03159 0.00768 0.02898 68 2S -0.04296 -0.00217 0.08173 0.02010 0.07499 69 3S -1.06466 -0.04826 -0.17375 -0.04043 -0.19788 70 4PX 0.00962 0.03045 -0.00433 0.00029 -0.00724 71 4PY -0.03371 0.01886 0.01670 0.00504 0.00871 72 4PZ 0.00657 0.00521 -0.04011 -0.00836 0.00612 73 5PX -0.15798 -1.36418 0.19453 -0.36777 0.16745 74 5PY 1.05133 -0.86339 -0.52359 -0.39554 -0.27235 75 5PZ 0.06335 -0.23394 1.58443 0.26619 0.07533 76 6PX 0.00569 1.45851 -0.24551 0.24094 -0.10990 77 6PY -0.37280 0.95972 0.61580 0.33519 0.10954 78 6PZ 0.37344 0.27061 -1.39142 -0.24773 0.15481 79 7D 0 -0.12022 -0.01643 0.25906 0.04556 0.02515 80 7D+1 -0.04569 -0.01588 -0.13486 -0.05986 0.01307 81 7D-1 0.21015 -0.05178 0.08112 -0.01375 0.01249 82 7D+2 -0.05592 0.26954 -0.01396 0.05028 0.06447 83 7D-2 -0.05482 -0.10828 -0.06181 -0.02492 0.15606 84 8D 0 0.33391 0.05455 -0.74998 -0.12468 -0.06235 85 8D+1 0.13323 0.06868 0.39708 0.19536 -0.03085 86 8D-1 -0.61266 0.16749 -0.25554 0.05198 -0.05010 87 8D+2 0.16196 -0.79278 0.04032 -0.16304 -0.18747 88 8D-2 0.14456 0.31379 0.17662 0.07512 -0.44682 89 5 Cu 1S -0.00222 0.00009 0.00209 -0.00076 -0.03434 90 2S -0.00676 0.00020 0.00587 -0.00133 -0.14154 91 3S 0.02321 0.00182 -0.02606 0.02615 0.73628 92 4PX 0.00302 0.00066 -0.01028 -0.03725 -0.01350 93 4PY 0.01139 -0.00013 0.02314 -0.01805 0.02818 94 4PZ 0.00867 -0.00038 0.03180 0.00049 -0.02431 95 5PX 0.05932 -0.03531 0.37293 1.26007 0.21755 96 5PY 0.15835 0.00251 -0.81698 0.62013 -0.49620 97 5PZ 0.14434 0.02057 -1.05346 -0.03408 0.37117 98 6PX -0.00376 0.01962 -0.27660 -0.91236 -0.05184 99 6PY 0.00312 -0.00254 0.59271 -0.43617 0.13292 100 6PZ -0.00066 -0.01334 0.77407 0.02057 -0.07793 101 7D 0 0.01220 0.00327 -0.21629 -0.04797 0.03626 102 7D+1 0.06505 -0.00192 0.06887 0.03372 0.14470 103 7D-1 0.00459 -0.00089 0.00610 -0.03360 -0.29240 104 7D+2 -0.00130 -0.00191 -0.04113 0.20959 -0.12208 105 7D-2 0.03830 0.00196 0.04321 -0.08390 -0.15690 106 8D 0 -0.05673 -0.00982 0.63694 0.13831 -0.10094 107 8D+1 -0.21853 0.00593 -0.19637 -0.10735 -0.40797 108 8D-1 -0.01820 0.00334 -0.02071 0.09111 0.82690 109 8D+2 -0.01067 0.00553 0.12397 -0.61338 0.34609 110 8D-2 -0.12820 -0.00671 -0.11672 0.25018 0.44397 111 6 Cu 1S -0.01209 -0.00117 0.00397 0.00082 0.08539 112 2S -0.01045 -0.00264 0.00284 -0.00046 0.16385 113 3S 0.10827 -0.00714 -0.02060 -0.01462 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0.00071 -0.02425 0.02635 0.02608 134 2S 0.06373 0.00169 -0.06146 0.06740 0.06405 135 3S 1.39986 -0.00772 0.15926 -0.14895 -0.28687 136 4PX -0.02146 -0.02937 0.00298 -0.00241 -0.00557 137 4PY 0.01220 0.00506 -0.02795 0.03049 -0.00791 138 4PZ -0.03968 0.02128 0.01023 -0.01198 -0.00625 139 5PX 0.59977 1.30510 -0.32414 -0.18391 0.12252 140 5PY -0.04569 -0.23117 1.14615 -1.16017 -0.02424 141 5PZ 1.16654 -0.94468 -0.15654 0.56238 0.17893 142 6PX -0.11997 -1.42916 0.31935 0.04697 -0.09091 143 6PY 0.52940 0.24890 -0.98782 1.02577 -0.24794 144 6PZ -0.40794 1.02940 0.26564 -0.57391 -0.07776 145 7D 0 -0.12281 0.23843 0.05949 -0.11789 -0.04759 146 7D+1 -0.10788 -0.08923 -0.03602 0.05738 -0.14908 147 7D-1 -0.22552 0.04752 -0.08360 0.04989 0.02185 148 7D+2 -0.15795 -0.14287 0.16724 -0.13693 0.02229 149 7D-2 -0.09392 0.00763 -0.08417 0.13228 -0.01096 150 8D 0 0.34212 -0.69804 -0.16314 0.35041 0.13236 151 8D+1 0.29381 0.25865 0.10317 -0.16801 0.42650 152 8D-1 0.65777 -0.15462 0.26667 -0.14667 -0.07583 153 8D+2 0.44313 0.42604 -0.49168 0.38291 -0.07429 154 8D-2 0.27625 -0.00170 0.23711 -0.40397 0.02494 155 8 Cu 1S -0.00272 -0.00016 -0.00478 -0.00763 0.08422 156 2S -0.00070 -0.00102 -0.00740 -0.01078 0.16308 157 3S 0.03206 -0.00058 0.01992 0.02376 -0.37721 158 4PX 0.00067 -0.00009 -0.00073 -0.00083 0.01805 159 4PY 0.01241 -0.00656 0.00495 -0.00072 -0.01419 160 4PZ 0.01553 -0.00712 0.00388 -0.00241 0.01245 161 5PX -0.01697 -0.02179 0.12011 0.37919 -0.27623 162 5PY 0.13141 -0.43957 -0.44645 -0.31513 0.23387 163 5PZ 0.05978 -0.47236 -0.20231 0.48694 -0.23064 164 6PX 0.02288 0.02131 -0.11491 -0.39307 0.03046 165 6PY -0.09051 0.49272 0.41494 0.20117 -0.06982 166 6PZ -0.06216 0.52529 0.24328 -0.38291 0.08477 167 7D 0 -0.03656 -0.11063 -0.09042 0.12153 -0.06914 168 7D+1 0.03623 0.04801 0.03649 -0.06731 0.04190 169 7D-1 0.00578 0.00446 -0.00683 -0.03189 0.05857 170 7D+2 0.00037 -0.05853 -0.11532 -0.12420 0.12088 171 7D-2 0.03201 0.04687 0.07361 0.04203 -0.04892 172 8D 0 0.07663 0.38007 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5PX -0.00279 -0.00032 0.01783 0.06884 -0.00761 193 5PY -0.01035 0.00007 -0.04182 0.03255 0.01652 194 5PZ -0.00569 -0.00007 -0.05840 0.00051 -0.01247 186 187 188 189 190 V V V V V EIGENVALUES -- 1.52536 1.64114 1.84269 1.84280 2.02085 1 1 Cu 1S -0.50594 -0.11038 -0.38864 -0.40954 0.56434 2 2S -1.09149 -0.23679 -0.83360 -0.87764 1.10230 3 3S -1.09261 -0.12356 -0.13748 -0.12259 -0.94875 4 4PX -0.01860 -0.00179 -0.00756 -0.02057 -0.00267 5 4PY -0.01349 -0.01029 -0.00821 -0.00618 0.00494 6 4PZ -0.02253 0.00027 -0.02215 -0.01401 -0.00483 7 5PX 0.66291 0.07476 0.31681 0.72514 -0.28248 8 5PY 0.56175 0.07201 0.51463 0.46516 -0.33394 9 5PZ 0.78804 0.08119 0.73909 0.49223 -0.31090 10 6PX -0.08150 0.05288 -0.21497 -0.18182 -0.06401 11 6PY 0.05499 -0.06461 -0.22400 -0.24459 0.56351 12 6PZ -0.12867 0.09645 -0.19527 -0.23918 -0.22947 13 7D 0 0.02896 -0.02123 0.08000 -0.03503 0.00001 14 7D+1 0.07791 -0.01126 0.03656 0.07826 -0.00652 15 7D-1 0.05443 -0.00474 0.06480 0.01345 -0.04342 16 7D+2 0.01774 -0.02790 -0.03219 0.05425 -0.01153 17 7D-2 0.04387 0.00551 0.01173 0.05083 -0.02882 18 8D 0 -0.08592 0.05471 -0.24165 0.10549 0.00726 19 8D+1 -0.23817 0.03217 -0.12989 -0.25497 0.03479 20 8D-1 -0.16627 0.02390 -0.21334 -0.04830 0.15189 21 8D+2 -0.04974 0.07360 0.10690 -0.15909 0.04520 22 8D-2 -0.13559 -0.00587 -0.04204 -0.17525 0.10066 23 2 Cu 1S 0.21136 -0.13419 1.01830 -0.24169 0.02898 24 2S 0.57634 -0.25657 2.14198 -0.50977 0.04050 25 3S 0.67574 1.61425 -1.43423 0.30619 -0.24371 26 4PX 0.03156 0.00071 0.02382 -0.00585 0.01861 27 4PY 0.01375 0.00190 0.01039 -0.00364 -0.02241 28 4PZ -0.01424 -0.00213 -0.01065 0.00178 0.02072 29 5PX -0.34798 0.08156 -0.85181 0.21777 -0.42567 30 5PY -0.15591 -0.45887 -0.44121 0.32584 0.48328 31 5PZ 0.16689 0.45757 0.54710 0.08438 -0.45017 32 6PX -0.07847 -0.33441 0.61881 -0.12836 0.71474 33 6PY -0.19086 0.00148 0.31624 0.04616 -0.67095 34 6PZ 0.19338 -0.00504 -0.25096 0.19407 0.61425 35 7D 0 -0.01584 -0.01733 0.00544 -0.03511 0.03972 36 7D+1 -0.06091 0.01676 0.01388 -0.05566 -0.03230 37 7D-1 -0.01696 0.00233 -0.03677 0.01212 0.03412 38 7D+2 0.02864 0.02588 -0.03179 -0.01493 -0.06459 39 7D-2 0.06162 -0.01863 -0.03691 -0.03959 0.03840 40 8D 0 0.05533 0.05608 -0.01076 0.12695 -0.13718 41 8D+1 0.20639 -0.06387 -0.03689 0.19962 0.10934 42 8D-1 0.06759 -0.02808 0.14220 -0.04601 -0.12971 43 8D+2 -0.09885 -0.08415 0.10110 0.05834 0.22218 44 8D-2 -0.20808 0.06959 0.12089 0.14747 -0.13052 45 3 Cu 1S -0.73392 0.32490 -0.00229 -0.00134 -1.14333 46 2S -1.55289 0.68093 -0.00398 -0.00298 -2.23398 47 3S 0.22786 -1.48339 0.01393 0.00133 3.67403 48 4PX 0.01082 -0.00213 0.00429 -0.00098 -0.00501 49 4PY -0.02149 0.00431 0.00193 0.00284 0.00994 50 4PZ 0.02042 -0.00390 -0.00048 0.00372 -0.00939 51 5PX -0.41210 0.10905 -0.22338 0.04923 -0.23957 52 5PY 0.83025 -0.22119 -0.09733 -0.15057 0.48400 53 5PZ -0.78921 0.20801 0.02138 -0.19206 -0.45961 54 6PX 0.10358 -0.11941 -0.03653 0.00810 0.09461 55 6PY -0.21987 0.24905 -0.01569 -0.02386 -0.19377 56 6PZ 0.21081 -0.22472 0.00324 -0.02665 0.19158 57 7D 0 0.01807 -0.00588 -0.01318 0.08474 0.00793 58 7D+1 0.05203 -0.01770 0.04324 0.00075 0.02407 59 7D-1 -0.10420 0.03594 0.01712 -0.00885 -0.04834 60 7D+2 -0.04169 0.01441 0.06540 0.03197 -0.01950 61 7D-2 -0.05467 0.01944 -0.04346 0.01823 -0.02535 62 8D 0 -0.05539 0.01805 0.03866 -0.26176 -0.03048 63 8D+1 -0.15872 0.05374 -0.13816 -0.00708 -0.09178 64 8D-1 0.31832 -0.10933 -0.05770 0.02874 0.18436 65 8D+2 0.12766 -0.04399 -0.19907 -0.10015 0.07428 66 8D-2 0.16673 -0.05902 0.13616 -0.06227 0.09668 67 4 Cu 1S 0.21079 -0.12962 -0.29433 1.00491 0.02945 68 2S 0.57561 -0.24697 -0.61983 2.11450 0.04270 69 3S 0.68940 1.61908 0.40244 -1.41119 -0.20628 70 4PX -0.01916 -0.00187 0.00351 -0.01441 0.00871 71 4PY 0.02265 0.00264 -0.00577 0.01712 -0.02035 72 4PZ 0.02272 -0.00045 -0.00492 0.01661 0.02819 73 5PX 0.22132 0.29475 0.05751 0.65791 -0.18181 74 5PY -0.24776 -0.50982 0.37269 -0.68740 0.43439 75 5PZ -0.25773 0.31218 0.20573 -0.53931 -0.63695 76 6PX 0.15990 0.09569 0.25986 -0.32419 0.22540 77 6PY -0.24856 -0.07064 -0.03853 0.49037 -0.59079 78 6PZ 0.03755 -0.31633 -0.08557 0.43002 0.98942 79 7D 0 -0.02357 0.03896 -0.01893 -0.00562 -0.09120 80 7D+1 -0.04432 -0.00755 -0.06971 0.01059 0.01934 81 7D-1 0.06447 -0.00494 -0.02468 -0.05907 0.01957 82 7D+2 -0.00819 0.00168 -0.00169 -0.01638 0.00913 83 7D-2 -0.04776 0.00640 0.01865 -0.01044 0.01949 84 8D 0 0.07646 -0.13234 0.06974 0.01749 0.31383 85 8D+1 0.15056 0.02131 0.25018 -0.02401 -0.06691 86 8D-1 -0.21500 0.01725 0.09465 0.19937 -0.07018 87 8D+2 0.03183 -0.01382 0.00634 0.06351 -0.03639 88 8D-2 0.17035 -0.04243 -0.07306 0.05345 -0.07819 89 5 Cu 1S 0.04981 0.27487 -0.00149 -0.00420 -0.15523 90 2S 0.20666 0.58496 -0.00389 -0.00982 -0.29847 91 3S 2.11046 -2.23185 -0.01855 -0.00784 -0.37580 92 4PX 0.01556 -0.01348 -0.02699 0.00575 -0.01850 93 4PY -0.03032 0.02661 -0.01106 -0.01779 0.03713 94 4PZ 0.02926 -0.02560 0.00158 -0.02226 -0.03494 95 5PX -0.13601 0.68787 0.94433 -0.19498 0.03023 96 5PY 0.25945 -1.36566 0.39668 0.63752 -0.07104 97 5PZ -0.25195 1.29743 -0.05232 0.76684 0.06184 98 6PX -0.10300 0.19803 0.10778 -0.02092 0.31449 99 6PY 0.20520 -0.41508 0.03981 0.06872 -0.63686 100 6PZ -0.20976 0.36189 -0.00513 0.08404 0.57404 101 7D 0 0.01226 -0.00053 -0.02257 0.04692 -0.01040 102 7D+1 0.03625 -0.01521 -0.01413 -0.03708 -0.03295 103 7D-1 -0.07426 0.02993 -0.03059 0.00613 0.06641 104 7D+2 -0.02948 0.01419 0.06019 0.00733 0.02606 105 7D-2 -0.04022 0.01571 -0.00776 -0.04044 0.03584 106 8D 0 -0.04035 0.00869 0.08334 -0.16072 0.03669 107 8D+1 -0.11715 0.07379 0.06360 0.14149 0.11515 108 8D-1 0.23945 -0.14588 0.12014 -0.02466 -0.23246 109 8D+2 0.09441 -0.06574 -0.21548 -0.02122 -0.09102 110 8D-2 0.12915 -0.07706 0.02038 0.15806 -0.12548 111 6 Cu 1S -0.50372 -0.09140 -0.16350 0.55321 0.56819 112 2S -1.08564 -0.19542 -0.34925 1.18266 1.10898 113 3S -1.07863 -0.16040 -0.02872 0.12522 -0.97151 114 4PX -0.01757 -0.00129 0.00336 0.02074 -0.00271 115 4PY 0.02243 -0.00042 0.01287 -0.02274 0.00525 116 4PZ 0.01453 0.00954 0.00468 -0.01047 -0.00457 117 5PX 0.61837 0.05519 -0.06766 -0.74806 -0.26471 118 5PY -0.77213 -0.06400 -0.42095 0.77172 0.30627 119 5PZ -0.60770 -0.06100 -0.24797 0.69348 0.34663 120 6PX -0.07898 0.05600 -0.11106 0.23898 -0.07523 121 6PY 0.14097 -0.09475 0.06467 -0.30323 0.25823 122 6PZ -0.04816 0.05874 0.08521 -0.33461 -0.54683 123 7D 0 -0.02394 0.03306 0.00453 0.02669 0.00615 124 7D+1 -0.04630 -0.00212 0.01797 0.05424 0.02812 125 7D-1 0.06032 -0.00855 0.05480 -0.04718 -0.04469 126 7D+2 -0.01888 0.00506 -0.09983 -0.00833 -0.00620 127 7D-2 -0.07251 0.01323 0.00945 0.08370 0.00465 128 8D 0 0.06740 -0.08522 -0.01922 -0.07182 -0.02960 129 8D+1 0.14246 -0.00409 -0.05899 -0.18585 -0.09881 130 8D-1 -0.18357 0.03566 -0.17751 0.15798 0.15747 131 8D+2 0.05800 -0.01247 0.30441 0.01906 0.01707 132 8D-2 0.22135 -0.03805 -0.01966 -0.27663 -0.02786 133 7 Cu 1S 0.20986 -0.12934 -0.72437 -0.75938 0.03505 134 2S 0.57298 -0.24504 -1.52182 -1.59624 0.05289 135 3S 0.67802 1.60548 1.06508 1.08934 -0.26601 136 4PX -0.02013 -0.00175 0.00975 0.01227 0.00874 137 4PY -0.02109 0.00052 0.01105 0.01155 -0.02919 138 4PZ -0.02324 -0.00272 0.01285 0.01205 0.01908 139 5PX 0.22332 0.28969 -0.26029 -0.62719 -0.17770 140 5PY 0.24104 -0.32275 -0.38523 -0.34552 0.65429 141 5PZ 0.26182 0.49603 -0.64729 -0.43790 -0.40844 142 6PX 0.16665 0.10882 0.38730 0.21549 0.20167 143 6PY -0.04925 0.30714 0.27429 0.32423 -1.01090 144 6PZ 0.23512 0.06852 0.26836 0.41022 0.52279 145 7D 0 0.01993 -0.02299 0.00352 -0.01660 0.03986 146 7D+1 0.05209 -0.00790 -0.02006 -0.00114 -0.02037 147 7D-1 0.05874 -0.00290 0.00289 0.06620 0.01399 148 7D+2 0.02302 -0.03204 0.01767 -0.00231 0.08242 149 7D-2 0.04177 0.00803 0.06674 -0.02066 -0.02267 150 8D 0 -0.06879 0.08385 -0.01235 0.06157 -0.13358 151 8D+1 -0.18541 0.04771 0.08518 0.01625 0.08154 152 8D-1 -0.19565 0.00957 0.00048 -0.22995 -0.05157 153 8D+2 -0.07307 0.10526 -0.06593 0.00637 -0.28575 154 8D-2 -0.14189 -0.02345 -0.23317 0.08630 0.07796 155 8 Cu 1S -0.50548 -0.10308 0.55790 -0.13869 0.56117 156 2S -1.08947 -0.22115 1.19366 -0.29485 1.09555 157 3S -1.07604 -0.14711 0.13980 0.01003 -0.95137 158 4PX 0.02385 0.00972 -0.02138 0.00495 -0.00236 159 4PY 0.01506 -0.00221 -0.01596 0.01143 0.00518 160 4PZ -0.01506 0.00219 0.01935 0.00364 -0.00486 161 5PX -0.92330 -0.10489 1.05907 -0.24926 0.46828 162 5PY -0.49593 -0.04948 0.46962 -0.35180 0.17162 163 5PZ 0.50401 0.04845 -0.58751 -0.10833 -0.17867 164 6PX 0.01103 0.01777 -0.45918 0.10694 -0.42844 165 6PY 0.11854 -0.08496 -0.17711 0.01566 0.32223 166 6PZ -0.11418 0.08947 0.16610 -0.07638 -0.29320 167 7D 0 -0.01618 -0.01244 -0.00023 -0.07150 0.01146 168 7D+1 -0.06747 0.01834 0.08138 0.04169 0.03059 169 7D-1 -0.04261 0.00608 0.04601 -0.00921 -0.01682 170 7D+2 0.02901 0.02070 -0.03777 -0.03009 -0.02296 171 7D-2 0.06686 -0.01986 -0.05354 0.07383 -0.03134 172 8D 0 0.05175 0.02765 -0.01352 0.21557 -0.03795 173 8D+1 0.20404 -0.05590 -0.26389 -0.13069 -0.11361 174 8D-1 0.13089 -0.01290 -0.15551 0.03231 0.04843 175 8D+2 -0.09283 -0.04534 0.13649 0.08318 0.07622 176 8D-2 -0.20190 0.05995 0.17450 -0.23520 0.11650 177 9 C 1S -0.01235 -0.02111 -0.00003 -0.00001 -0.00075 178 2S 0.29361 0.10466 0.00016 -0.00425 -0.18989 179 3S -0.74062 -3.26327 -0.01347 0.03217 -0.67791 180 4PX -0.08062 -0.11116 0.03090 -0.00623 0.01456 181 4PY 0.16120 0.22571 0.01407 0.02010 -0.02877 182 4PZ -0.14859 -0.20306 -0.00281 0.02648 0.02834 183 5PX 0.01291 -0.15062 -0.32868 0.07201 -0.27923 184 5PY -0.01817 0.30968 -0.13762 -0.21853 0.56469 185 5PZ 0.02508 -0.27684 0.02420 -0.27414 -0.52213 186 10 O 1S 0.00961 0.08099 0.00020 -0.00043 0.02122 187 2S -0.23330 -1.86362 -0.00575 0.01098 -0.65750 188 3S 0.51327 3.53575 0.01209 -0.02292 1.40210 189 4PX -0.01164 0.02003 -0.03819 0.00869 0.00899 190 4PY 0.02442 -0.04008 -0.01598 -0.02485 -0.01814 191 4PZ -0.02157 0.03676 0.00348 -0.03291 0.01526 192 5PX -0.05321 -0.41452 0.14710 -0.03136 -0.12569 193 5PY 0.10415 0.83430 0.06490 0.09301 0.25327 194 5PZ -0.09782 -0.76298 -0.01535 0.13064 -0.22682 191 192 193 194 V V V V EIGENVALUES -- 2.30651 2.31141 3.66680 11.93074 1 1 Cu 1S 0.10449 -1.24697 -0.11925 -0.39781 2 2S 0.19607 -2.34428 -0.19218 -0.61895 3 3S -0.30854 3.47667 -2.27486 -4.29900 4 4PX 0.00683 0.02060 -0.00482 0.00557 5 4PY -0.00365 0.02344 0.00541 -0.00075 6 4PZ -0.00806 0.02136 -0.00795 0.00783 7 5PX -0.09337 0.23906 0.22858 0.52969 8 5PY 0.00447 0.16115 -0.21392 0.77502 9 5PZ 0.02859 0.30651 0.37191 0.54323 10 6PX 0.30936 -0.12515 0.42694 0.32817 11 6PY -0.10444 0.59771 0.02336 1.04068 12 6PZ -0.17940 -0.37051 0.57927 0.21382 13 7D 0 -0.04213 -0.00664 -0.01859 0.00424 14 7D+1 0.01842 0.01378 -0.00759 0.00341 15 7D-1 0.01017 0.00541 -0.00650 0.01325 16 7D+2 0.01684 -0.00947 -0.02782 0.00953 17 7D-2 -0.02777 0.00662 0.00435 0.00698 18 8D 0 0.15147 0.01428 0.06882 -0.02101 19 8D+1 -0.06322 -0.07340 0.02931 -0.03262 20 8D-1 -0.03197 -0.03222 0.03936 -0.09613 21 8D+2 -0.06124 0.02842 0.10779 -0.04858 22 8D-2 0.09588 -0.03494 -0.00617 -0.05897 23 2 Cu 1S -0.57452 -0.39573 -1.03654 -1.29142 24 2S -1.09503 -0.75464 -1.74143 -2.04997 25 3S 1.66564 1.12444 6.16863 2.73986 26 4PX 0.00294 0.00091 0.06312 0.04050 27 4PY 0.02875 -0.02076 0.01015 0.04753 28 4PZ 0.01060 -0.03493 -0.01113 -0.04704 29 5PX 0.34441 0.25809 -0.55159 0.07201 30 5PY -0.30128 0.52854 -0.60297 0.59636 31 5PZ -0.40193 0.46610 0.59525 -0.57435 32 6PX -1.05096 -0.75969 -0.76597 -0.43016 33 6PY 0.90659 -1.13104 -0.74862 -0.50101 34 6PZ 0.81401 -1.25144 0.74103 0.52919 35 7D 0 0.03223 -0.08545 0.00621 -0.00103 36 7D+1 -0.01917 0.00562 -0.00517 -0.00537 37 7D-1 -0.01083 -0.00394 0.00448 -0.01701 38 7D+2 0.06096 -0.01983 -0.00980 0.00061 39 7D-2 -0.00201 0.02033 0.00616 0.00497 40 8D 0 -0.11326 0.30695 -0.01479 -0.00141 41 8D+1 0.07235 -0.01484 0.01680 0.05789 42 8D-1 0.03406 0.01162 -0.04898 0.14612 43 8D+2 -0.22200 0.06845 0.01994 0.01102 44 8D-2 0.00135 -0.07454 -0.02066 -0.05594 45 3 Cu 1S -0.00095 -0.00216 -0.60690 -0.15504 46 2S -0.00224 -0.00419 -1.03502 -0.22287 47 3S -0.01438 0.01968 -3.09044 -2.05900 48 4PX 0.00785 0.00565 -0.00732 0.00121 49 4PY -0.00218 0.00730 0.01462 -0.00238 50 4PZ -0.00623 0.00459 -0.01380 0.00233 51 5PX -0.09628 -0.07101 -0.23952 -0.11590 52 5PY 0.02850 -0.08892 0.47503 0.22852 53 5PZ 0.07088 -0.05615 -0.44851 -0.22160 54 6PX 0.42442 0.31362 -0.40247 -0.29606 55 6PY -0.11179 0.39516 0.80190 0.57995 56 6PZ -0.34308 0.25072 -0.76516 -0.54367 57 7D 0 0.03227 -0.01180 -0.00073 -0.00245 58 7D+1 -0.01195 0.01231 -0.00303 -0.00730 59 7D-1 0.00857 0.00747 0.00609 0.01456 60 7D+2 -0.01782 -0.03048 0.00266 0.00573 61 7D-2 -0.00535 0.01681 0.00317 0.00778 62 8D 0 -0.11522 0.04269 -0.00108 0.01227 63 8D+1 0.04264 -0.04256 -0.00016 0.03688 64 8D-1 -0.02956 -0.02622 0.00011 -0.07350 65 8D+2 0.06314 0.10884 -0.00101 -0.02895 66 8D-2 0.01784 -0.05964 0.00034 -0.03922 67 4 Cu 1S 0.63668 -0.29400 -1.03088 -1.29757 68 2S 1.21465 -0.56073 -1.73163 -2.05935 69 3S -1.81046 0.82949 6.15170 2.76580 70 4PX -0.00907 -0.03952 -0.02639 -0.04476 71 4PY -0.02372 -0.01817 0.02568 0.06299 72 4PZ -0.00002 -0.00763 0.05334 0.01425 73 5PX 0.45969 0.56198 0.57672 -0.41984 74 5PY 0.05176 0.50334 -0.80287 0.68715 75 5PZ -0.29203 0.26900 -0.21536 -0.23192 76 6PX -1.04847 -1.39621 0.73687 0.50146 77 6PY -0.31127 -1.11431 -1.00133 -0.69352 78 6PZ 1.00068 -0.79158 -0.35010 -0.12132 79 7D 0 -0.02654 0.00828 -0.01434 -0.00159 80 7D+1 0.01633 -0.02898 0.00290 -0.00200 81 7D-1 -0.01808 0.01367 0.00311 -0.00119 82 7D+2 -0.03741 -0.08669 0.00109 -0.00693 83 7D-2 0.03579 0.02810 0.00219 -0.01687 84 8D 0 0.09439 -0.02855 0.03980 0.03955 85 8D+1 -0.06280 0.10806 -0.00117 0.01402 86 8D-1 0.07366 -0.05134 -0.02773 0.00425 87 8D+2 0.13511 0.30844 -0.01775 0.06092 88 8D-2 -0.12739 -0.10028 -0.03443 0.14964 89 5 Cu 1S -0.00470 0.00562 1.14840 -3.44908 90 2S -0.00868 0.01106 1.94340 -5.52360 91 3S 0.01699 -0.01101 -5.52476 11.92800 92 4PX -0.03967 -0.02888 0.01084 0.03045 93 4PY 0.01078 -0.03780 -0.02206 -0.06009 94 4PZ 0.03146 -0.02286 0.02015 0.05743 95 5PX 0.72483 0.52388 1.32654 -2.55566 96 5PY -0.20541 0.71997 -2.63152 5.09803 97 5PZ -0.55762 0.40063 2.47394 -4.75542 98 6PX 0.03191 0.03215 -0.22350 0.16256 99 6PY -0.00565 0.03556 0.45180 -0.38034 100 6PZ -0.03138 0.03006 -0.37188 0.23104 101 7D 0 -0.04846 0.01640 -0.00088 0.00967 102 7D+1 0.01810 -0.02470 -0.00501 0.03266 103 7D-1 -0.01735 -0.01384 0.01036 -0.06546 104 7D+2 0.02942 0.04792 0.00469 -0.02645 105 7D-2 0.01390 -0.02811 0.00558 -0.03541 106 8D 0 0.17186 -0.05764 0.01508 -0.07392 107 8D+1 -0.06366 0.08991 0.06104 -0.24878 108 8D-1 0.06232 0.05137 -0.12356 0.49791 109 8D+2 -0.10549 -0.17002 -0.05222 0.20090 110 8D-2 -0.05201 0.10140 -0.06673 0.26897 111 6 Cu 1S -1.12646 0.53302 -0.12874 -0.38242 112 2S -2.11610 1.00234 -0.20662 -0.59616 113 3S 3.18223 -1.46418 -2.24228 -4.30936 114 4PX 0.02091 0.00013 -0.00436 0.00502 115 4PY -0.01723 0.01448 0.00811 -0.00802 116 4PZ -0.02216 0.01179 -0.00562 0.00158 117 5PX 0.16212 -0.17430 0.22754 0.48433 118 5PY -0.28484 0.08269 -0.38910 -0.51765 119 5PZ -0.14505 0.06283 0.19845 -0.80385 120 6PX -0.00122 0.32979 0.40936 0.29362 121 6PY 0.43107 0.02345 -0.60075 -0.13771 122 6PZ -0.50966 0.29744 -0.06033 -1.08122 123 7D 0 0.01243 0.00159 0.03211 -0.00860 124 7D+1 0.00445 0.02682 -0.00264 -0.00709 125 7D-1 0.00657 0.00647 -0.00877 0.01401 126 7D+2 0.01567 0.04109 0.00230 0.00123 127 7D-2 -0.01888 -0.01567 0.00752 -0.00305 128 8D 0 -0.03625 -0.00811 -0.12108 0.04141 129 8D+1 -0.00394 -0.09674 0.00028 0.05856 130 8D-1 -0.03519 -0.01439 0.04802 -0.10086 131 8D+2 -0.04999 -0.15061 -0.00599 -0.00649 132 8D-2 0.08798 0.04565 -0.02819 0.02875 133 7 Cu 1S -0.05975 0.68930 -1.04227 -1.28121 134 2S -0.11392 1.31233 -1.74983 -2.03526 135 3S 0.17333 -2.02557 6.20254 2.70933 136 4PX -0.03918 0.00583 -0.02922 -0.04593 137 4PY 0.00711 -0.00310 -0.05111 -0.01033 138 4PZ 0.02655 0.01590 -0.02787 -0.06156 139 5PX 0.66202 0.23186 0.60699 -0.43196 140 5PY -0.15242 0.35407 0.16795 0.25350 141 5PZ -0.49935 0.11282 0.80220 -0.66111 142 6PX -1.61985 -0.52625 0.77805 0.49039 143 6PY 0.40128 -1.18454 0.28068 0.09927 144 6PZ 1.20359 -0.13794 1.01388 0.67696 145 7D 0 0.08364 0.01783 0.00603 0.00627 146 7D+1 -0.03323 -0.02453 -0.00292 0.01772 147 7D-1 0.00357 -0.02273 0.00207 -0.00157 148 7D+2 -0.04547 0.01886 0.01215 -0.00111 149 7D-2 0.02566 -0.02591 -0.00322 0.00150 150 8D 0 -0.29782 -0.06445 -0.00614 -0.06659 151 8D+1 0.11901 0.08709 0.03672 -0.15458 152 8D-1 -0.01222 0.09078 -0.02529 0.01089 153 8D+2 0.16108 -0.06523 -0.04081 -0.01011 154 8D-2 -0.09402 0.09849 0.00067 -0.00810 155 8 Cu 1S 1.02237 0.71596 -0.12261 -0.39121 156 2S 1.92085 1.34637 -0.19705 -0.60938 157 3S -2.89252 -1.96913 -2.26261 -4.30618 158 4PX 0.02779 0.01906 -0.00161 -0.00256 159 4PY 0.00593 0.01320 0.00776 -0.00668 160 4PZ -0.01492 -0.00088 -0.00723 0.00631 161 5PX 0.22934 0.17568 0.02818 -1.01454 162 5PY 0.20471 0.06186 -0.35204 -0.25909 163 5PZ -0.12460 -0.17611 0.33955 0.26980 164 6PX 0.33438 0.24345 -0.31308 -1.11536 165 6PY -0.50379 -0.03189 -0.46972 0.10192 166 6PZ 0.17108 0.43780 0.45039 -0.04453 167 7D 0 -0.02144 0.04432 -0.01190 -0.00045 168 7D+1 -0.00161 0.00669 0.01743 -0.01223 169 7D-1 0.00922 0.00357 0.00125 0.00424 170 7D+2 -0.02678 0.01553 0.01966 0.00200 171 7D-2 -0.00409 0.00351 -0.01918 0.01299 172 8D 0 0.07285 -0.15948 0.04018 0.01460 173 8D+1 -0.01187 -0.03139 -0.07488 0.08373 174 8D-1 -0.04543 -0.02183 0.00237 -0.02194 175 8D+2 0.09979 -0.05150 -0.06505 -0.03255 176 8D-2 0.02802 0.00111 0.08195 -0.08781 177 9 C 1S 0.00014 -0.00019 0.01827 -0.04734 178 2S 0.00750 -0.01076 0.51106 -0.87726 179 3S -0.04678 0.06753 -1.49669 4.07746 180 4PX 0.05263 0.04104 0.01196 -0.05688 181 4PY -0.01214 0.04743 -0.02383 0.11307 182 4PZ -0.04487 0.03430 0.02192 -0.10633 183 5PX -0.48987 -0.36259 0.94725 -1.53374 184 5PY 0.12889 -0.45803 -1.89934 3.06880 185 5PZ 0.39639 -0.29302 1.75579 -2.84097 186 10 O 1S 0.00041 -0.00053 -0.00277 -0.01166 187 2S -0.01429 0.01902 0.64179 -0.50649 188 3S 0.03361 -0.04522 -1.82995 1.84692 189 4PX -0.07745 -0.05724 0.03732 -0.07011 190 4PY 0.02017 -0.07205 -0.07361 0.13905 191 4PZ 0.06294 -0.04632 0.07083 -0.13079 192 5PX 0.27674 0.21157 -0.02727 0.18258 193 5PY -0.06649 0.25167 0.04778 -0.35565 194 5PZ -0.23350 0.17594 -0.05864 0.34535 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 2.01143 2 2S 0.01752 0.38666 3 3S 0.01023 0.23292 0.40060 4 4PX 0.00356 0.02493 -0.04619 1.99191 5 4PY 0.00367 0.02150 -0.04716 0.00025 1.99109 6 4PZ 0.00406 0.02940 -0.05268 0.00050 0.00045 7 5PX -0.00242 -0.03409 -0.06965 0.04065 0.00512 8 5PY -0.00230 -0.02436 -0.05276 0.00423 0.04220 9 5PZ -0.00280 -0.04150 -0.08392 0.00452 0.00577 10 6PX -0.00099 0.01008 -0.01426 -0.00642 0.00610 11 6PY -0.00023 -0.01309 -0.02565 0.00412 -0.00770 12 6PZ -0.00133 0.01726 -0.01363 0.00611 0.00757 13 7D 0 -0.00034 -0.00558 -0.03308 -0.00198 -0.00082 14 7D+1 -0.00061 -0.01781 -0.13544 0.00021 0.00085 15 7D-1 -0.00162 -0.01986 -0.11463 0.00055 -0.00075 16 7D+2 -0.00075 -0.00530 -0.01183 0.00090 -0.00284 17 7D-2 -0.00101 -0.01519 -0.09819 -0.00233 0.00103 18 8D 0 -0.00015 0.00040 -0.00986 -0.00041 -0.00002 19 8D+1 -0.00013 -0.00020 -0.04183 -0.00068 0.00017 20 8D-1 -0.00055 -0.00268 -0.03611 0.00036 -0.00146 21 8D+2 -0.00036 -0.00018 -0.00332 -0.00004 -0.00067 22 8D-2 -0.00029 -0.00196 -0.03097 -0.00191 -0.00044 23 2 Cu 1S -0.00226 -0.00576 -0.00997 0.00079 0.00096 24 2S -0.00665 0.14479 0.08093 0.00574 0.00772 25 3S -0.00548 -0.09710 -0.18099 -0.00739 0.01920 26 4PX 0.00036 -0.00749 0.00231 0.00035 -0.00076 27 4PY -0.00044 -0.00610 0.00363 -0.00104 0.00132 28 4PZ -0.00415 -0.04886 -0.03169 -0.00193 -0.00144 29 5PX 0.00108 0.03363 0.02720 -0.00116 0.00507 30 5PY 0.00086 0.02327 0.00131 0.00486 -0.01050 31 5PZ -0.00273 0.08332 -0.00704 0.00774 0.01033 32 6PX -0.00173 0.02498 -0.00309 0.00163 0.00939 33 6PY -0.00122 0.01576 0.00035 0.00862 -0.00705 34 6PZ -0.00236 -0.01589 -0.05008 -0.01318 0.00101 35 7D 0 -0.00131 0.02239 0.17874 0.00534 0.01073 36 7D+1 0.00483 0.05496 0.15294 -0.01632 0.00317 37 7D-1 0.00332 0.03834 0.11996 0.00285 -0.01633 38 7D+2 -0.00093 0.00254 -0.02886 -0.00496 0.00529 39 7D-2 -0.00052 0.01214 0.01446 -0.00423 -0.00296 40 8D 0 0.00024 0.00580 0.06010 0.00242 0.00318 41 8D+1 0.00169 0.01788 0.05197 -0.00577 0.00093 42 8D-1 0.00137 0.01375 0.04183 0.00083 -0.00626 43 8D+2 -0.00026 0.00185 -0.00933 -0.00208 0.00146 44 8D-2 -0.00013 0.00606 0.00655 -0.00154 -0.00098 45 3 Cu 1S 0.00096 -0.00054 -0.00201 -0.00164 0.00016 46 2S -0.00048 -0.07761 -0.02381 0.00008 -0.01015 47 3S -0.00126 0.01904 0.03913 -0.00624 0.01192 48 4PX 0.00151 -0.00459 0.01011 0.00028 -0.00023 49 4PY -0.00050 -0.00788 0.00543 0.00015 -0.00017 50 4PZ 0.00222 -0.00444 0.01271 -0.00116 -0.00001 51 5PX 0.00020 0.02002 0.00881 -0.00107 0.00263 52 5PY -0.00001 0.01012 -0.01002 -0.00014 -0.00246 53 5PZ 0.00027 0.02535 0.01479 -0.00225 0.00442 54 6PX 0.00055 0.01319 0.02178 -0.01235 0.00760 55 6PY 0.00076 -0.01855 -0.01237 0.00112 0.00324 56 6PZ 0.00057 0.02273 0.03310 0.00413 0.00596 57 7D 0 -0.00260 -0.02704 -0.06536 0.00031 -0.00143 58 7D+1 -0.00509 -0.02496 -0.21798 0.00312 -0.00132 59 7D-1 0.00046 0.01355 -0.02682 0.00183 -0.00104 60 7D+2 -0.00097 -0.02402 0.01645 0.00094 -0.00219 61 7D-2 0.00002 0.01552 -0.05465 -0.00330 0.00068 62 8D 0 -0.00075 -0.00976 -0.02271 -0.00069 -0.00032 63 8D+1 -0.00149 -0.00985 -0.07428 0.00070 -0.00086 64 8D-1 0.00007 0.00639 -0.00741 0.00073 -0.00017 65 8D+2 -0.00030 -0.00760 0.00552 0.00059 -0.00038 66 8D-2 -0.00003 0.00621 -0.01731 -0.00105 0.00016 67 4 Cu 1S -0.00226 -0.00575 -0.01000 0.00096 0.00092 68 2S -0.00665 0.14475 0.08123 0.01882 0.00540 69 3S -0.00550 -0.09715 -0.18097 0.06855 0.00578 70 4PX -0.00406 -0.04459 -0.02931 0.00177 -0.00151 71 4PY 0.00034 0.00049 0.00933 0.00178 0.00091 72 4PZ -0.00098 -0.02225 -0.00908 0.00153 -0.00170 73 5PX -0.00267 0.07291 -0.01418 0.00451 0.00646 74 5PY 0.00152 0.01624 0.00849 -0.00725 -0.00879 75 5PZ -0.00005 0.05518 0.02277 -0.00053 0.01009 76 6PX -0.00196 -0.01834 -0.04546 0.02405 -0.00958 77 6PY -0.00116 0.02380 0.00833 -0.01015 -0.00115 78 6PZ -0.00221 0.01488 -0.02005 0.00678 0.00830 79 7D 0 0.00217 0.01695 -0.01401 -0.00290 0.00244 80 7D+1 0.00282 0.05363 0.21397 0.02431 0.00138 81 7D-1 0.00011 0.01829 0.01421 0.00198 -0.00850 82 7D+2 -0.00112 0.01522 0.12043 0.02140 0.00177 83 7D-2 0.00482 0.03761 0.09947 -0.00022 -0.01690 84 8D 0 0.00054 0.00607 -0.00473 0.00180 0.00013 85 8D+1 0.00134 0.01687 0.07260 0.00360 0.00111 86 8D-1 0.00011 0.00871 0.00683 0.00065 -0.00323 87 8D+2 0.00020 0.00420 0.04060 0.00082 0.00107 88 8D-2 0.00165 0.01293 0.03436 0.00048 -0.00631 89 5 Cu 1S -0.00194 -0.00405 -0.00970 0.00089 -0.00064 90 2S -0.00500 0.12205 0.10073 0.00876 0.01375 91 3S -0.00750 -0.04095 -0.11837 0.02360 0.07500 92 4PX -0.00142 -0.01485 -0.01187 0.00169 0.00115 93 4PY -0.00405 -0.05334 -0.02740 -0.00167 0.00175 94 4PZ -0.00095 -0.00752 -0.00958 -0.00053 0.00176 95 5PX -0.00022 0.03475 -0.00354 -0.00552 -0.00144 96 5PY -0.00269 0.12564 0.00687 0.00786 -0.00101 97 5PZ 0.00038 0.01750 -0.00615 0.00775 -0.00482 98 6PX -0.00033 -0.02508 -0.03061 -0.00416 -0.00015 99 6PY 0.00026 -0.03312 -0.02855 0.00099 0.01402 100 6PZ -0.00048 -0.02583 -0.03424 0.00471 -0.00577 101 7D 0 0.00097 -0.00766 -0.03474 -0.00116 -0.00898 102 7D+1 0.00054 0.02138 0.07673 -0.00184 0.00708 103 7D-1 0.00215 0.01609 0.09820 0.00571 0.01494 104 7D+2 0.00202 -0.01994 -0.06804 -0.01570 -0.01063 105 7D-2 0.00091 0.02184 0.10752 -0.00535 0.01864 106 8D 0 0.00019 -0.00002 -0.01006 0.00064 0.00018 107 8D+1 0.00025 0.01000 0.02767 -0.00079 0.00134 108 8D-1 0.00107 0.00527 0.03171 0.00091 0.00227 109 8D+2 0.00054 -0.00422 -0.02181 -0.00424 0.00137 110 8D-2 0.00063 0.00672 0.03502 -0.00294 0.00226 111 6 Cu 1S 0.00101 -0.00054 0.00035 0.00001 -0.00201 112 2S -0.00055 -0.04333 0.03035 -0.00912 0.00469 113 3S 0.00040 0.03184 0.04647 0.00267 -0.02510 114 4PX 0.00012 -0.00935 0.00363 -0.00009 0.00011 115 4PY 0.00190 -0.00418 0.00941 -0.00008 -0.00019 116 4PZ 0.00208 -0.00465 0.02522 -0.00013 -0.00081 117 5PX 0.00009 0.02030 -0.00265 -0.00067 0.00199 118 5PY 0.00030 0.02107 0.01674 0.00239 -0.00420 119 5PZ 0.00062 0.02344 0.01244 0.00089 -0.00736 120 6PX 0.00083 -0.00820 0.00771 0.00270 -0.00449 121 6PY 0.00023 0.01989 0.01670 0.00155 -0.00996 122 6PZ 0.00124 0.01267 0.02645 0.00739 -0.00312 123 7D 0 -0.00121 -0.01130 -0.04307 0.00006 -0.00041 124 7D+1 -0.00214 0.00410 -0.13245 0.00043 0.00201 125 7D-1 -0.00596 -0.03746 -0.18564 -0.00080 0.00275 126 7D+2 0.00148 0.03267 -0.00532 0.00032 -0.00323 127 7D-2 -0.00016 -0.00505 -0.03334 -0.00142 -0.00097 128 8D 0 -0.00033 -0.00357 -0.01476 -0.00007 -0.00117 129 8D+1 -0.00070 0.00203 -0.04420 0.00011 0.00102 130 8D-1 -0.00188 -0.01407 -0.06267 -0.00060 0.00089 131 8D+2 0.00039 0.01158 -0.00144 -0.00002 -0.00102 132 8D-2 -0.00002 -0.00050 -0.01153 -0.00017 -0.00038 133 7 Cu 1S 0.00081 -0.00231 -0.00604 -0.00242 -0.00150 134 2S -0.00184 -0.12260 0.00646 -0.00211 -0.00266 135 3S 0.00354 -0.06616 -0.02186 -0.01259 -0.01156 136 4PX 0.00071 -0.00694 0.00800 0.00121 -0.00107 137 4PY 0.00088 -0.00256 0.01207 -0.00105 0.00142 138 4PZ 0.00076 -0.00903 0.00809 -0.00200 -0.00114 139 5PX 0.00017 0.00700 0.01379 -0.00519 -0.00071 140 5PY 0.00031 0.00171 -0.00010 -0.00125 -0.00652 141 5PZ 0.00016 0.00929 0.01923 0.00027 -0.00066 142 6PX 0.00063 0.01032 0.00653 0.00761 -0.00547 143 6PY -0.00028 0.02232 0.00806 -0.00474 0.01100 144 6PZ 0.00094 0.00862 0.00671 -0.00737 -0.00685 145 7D 0 -0.00139 -0.01206 -0.00724 -0.00175 0.00006 146 7D+1 -0.00450 -0.03101 -0.04065 0.00278 0.00061 147 7D-1 -0.00436 -0.03595 -0.07374 0.00038 0.00189 148 7D+2 -0.00106 -0.01340 -0.01326 0.00136 -0.00063 149 7D-2 -0.00344 -0.02586 -0.05520 0.00112 0.00154 150 8D 0 -0.00047 -0.00473 -0.00314 -0.00111 -0.00029 151 8D+1 -0.00148 -0.01315 -0.01652 0.00077 -0.00037 152 8D-1 -0.00139 -0.01450 -0.02664 -0.00061 0.00084 153 8D+2 -0.00036 -0.00478 -0.00452 0.00096 -0.00056 154 8D-2 -0.00110 -0.01074 -0.02028 0.00026 0.00061 155 8 Cu 1S 0.00100 -0.00054 0.00038 -0.00231 -0.00159 156 2S -0.00055 -0.04328 0.03088 0.00803 0.00169 157 3S 0.00040 0.03182 0.04633 -0.01612 -0.02181 158 4PX 0.00232 -0.00256 0.02459 -0.00071 -0.00072 159 4PY 0.00151 -0.00537 0.00559 -0.00119 0.00017 160 4PZ 0.00049 -0.00955 0.01033 0.00016 -0.00019 161 5PX 0.00061 0.02069 0.01615 -0.00516 -0.00720 162 5PY 0.00021 0.02095 0.01349 -0.00291 -0.00151 163 5PZ 0.00024 0.02321 -0.00113 -0.00061 0.00007 164 6PX 0.00096 0.01854 0.02585 -0.01216 -0.00056 165 6PY 0.00021 0.01537 0.01365 0.00053 -0.01003 166 6PZ 0.00113 -0.00686 0.01293 -0.00526 -0.00174 167 7D 0 0.00092 0.03449 -0.03444 -0.00303 -0.00043 168 7D+1 -0.00221 -0.00903 -0.11725 0.00106 0.00142 169 7D-1 -0.00138 -0.00445 -0.08063 0.00280 -0.00192 170 7D+2 -0.00185 -0.00680 -0.06069 0.00192 -0.00123 171 7D-2 -0.00572 -0.03611 -0.17246 0.00189 0.00374 172 8D 0 0.00020 0.01213 -0.01094 -0.00066 0.00037 173 8D+1 -0.00066 -0.00213 -0.03948 0.00016 0.00021 174 8D-1 -0.00044 -0.00085 -0.02734 0.00075 -0.00056 175 8D+2 -0.00059 -0.00292 -0.02053 0.00077 -0.00129 176 8D-2 -0.00180 -0.01373 -0.05805 0.00015 0.00160 177 9 C 1S -0.00116 0.00973 -0.02193 0.00087 -0.00022 178 2S 0.00240 -0.02733 0.03404 -0.00102 0.00138 179 3S 0.00457 -0.02832 0.01511 -0.00944 -0.01149 180 4PX 0.00007 0.04213 0.01575 -0.00096 0.00012 181 4PY 0.00026 0.02551 -0.01310 -0.00044 0.00108 182 4PZ 0.00004 0.05141 0.02416 0.00368 -0.00097 183 5PX -0.00048 0.01630 0.00518 -0.00027 0.00233 184 5PY -0.00054 0.01323 0.00676 -0.00056 0.00841 185 5PZ -0.00052 0.01927 0.00543 0.00086 0.00088 186 10 O 1S -0.00072 -0.00301 0.01252 -0.00012 0.00017 187 2S 0.00157 0.00953 -0.02447 0.00004 -0.00139 188 3S -0.00053 0.00224 -0.04752 0.00178 0.00473 189 4PX -0.00057 -0.03586 -0.03975 0.00112 0.00123 190 4PY 0.00076 -0.03099 0.02776 -0.00022 0.00042 191 4PZ -0.00095 -0.04148 -0.06116 -0.00266 0.00236 192 5PX 0.00046 -0.02097 -0.01338 0.00076 -0.00202 193 5PY 0.00005 -0.02480 -0.00106 0.00072 -0.00201 194 5PZ 0.00061 -0.02280 -0.01817 -0.00206 -0.00167 6 7 8 9 10 6 4PZ 1.99209 7 5PX 0.00431 0.03268 8 5PY 0.00453 0.00690 0.02844 9 5PZ 0.04152 0.01192 0.00822 0.03745 10 6PX 0.00558 0.00254 0.00160 0.00347 0.02411 11 6PY 0.00482 0.00132 0.00019 0.00175 -0.00281 12 6PZ -0.00492 0.00354 0.00214 0.00416 -0.00267 13 7D 0 0.00174 -0.03466 -0.03403 0.07280 0.01889 14 7D+1 -0.00204 0.06006 -0.00551 0.04709 0.04529 15 7D-1 -0.00104 0.00031 0.05373 0.03660 -0.01321 16 7D+2 0.00077 0.04891 -0.05799 0.00088 0.02154 17 7D-2 0.00043 0.03426 0.05249 0.00131 0.06750 18 8D 0 0.00012 -0.01161 -0.01128 0.02363 0.00641 19 8D+1 -0.00161 0.01901 -0.00219 0.01451 0.01579 20 8D-1 -0.00107 -0.00014 0.01709 0.01146 -0.00418 21 8D+2 0.00071 0.01593 -0.01916 0.00030 0.00728 22 8D-2 0.00025 0.01065 0.01688 0.00015 0.02298 23 2 Cu 1S 0.00104 0.00059 0.00005 0.00330 0.00204 24 2S 0.02018 -0.00227 -0.00846 -0.04073 -0.00281 25 3S 0.06670 0.01565 0.00323 0.04361 0.01216 26 4PX 0.00171 -0.00334 0.00311 -0.00731 0.01052 27 4PY 0.00135 0.00434 -0.00634 -0.00408 -0.00238 28 4PZ 0.00175 0.00012 0.00064 0.00681 0.01585 29 5PX -0.00533 0.00076 -0.00242 0.00432 -0.00058 30 5PY -0.00217 -0.00474 0.00734 0.00508 -0.00034 31 5PZ 0.00547 -0.00246 -0.00233 0.01777 0.00491 32 6PX -0.00504 0.01044 0.00091 -0.00193 -0.02007 33 6PY -0.00136 -0.00159 0.00930 0.00300 0.00854 34 6PZ 0.02388 0.01124 0.00797 0.02016 -0.02170 35 7D 0 0.03065 -0.03145 -0.04508 -0.12042 0.02811 36 7D+1 0.00684 0.03538 -0.00899 -0.04791 -0.04963 37 7D-1 0.01228 -0.00952 0.02633 -0.05288 -0.00823 38 7D+2 0.00000 0.03230 -0.03026 0.01092 -0.02782 39 7D-2 0.00232 0.01177 0.02215 -0.00276 0.00206 40 8D 0 0.00184 -0.01075 -0.01490 -0.03985 0.00910 41 8D+1 0.00183 0.01094 -0.00284 -0.01576 -0.01713 42 8D-1 0.00234 -0.00328 0.00788 -0.01772 -0.00217 43 8D+2 -0.00001 0.01098 -0.01039 0.00353 -0.00906 44 8D-2 0.00048 0.00363 0.00732 -0.00124 0.00119 45 3 Cu 1S -0.00232 -0.00001 0.00055 -0.00015 -0.00036 46 2S 0.00263 -0.01062 0.02293 -0.02040 -0.01012 47 3S -0.01156 -0.01323 0.00229 -0.01902 -0.01679 48 4PX -0.00107 -0.00174 0.00062 -0.00328 -0.01456 49 4PY 0.00052 -0.00196 -0.00114 -0.00231 -0.00081 50 4PZ -0.00053 -0.00266 0.00126 -0.00348 0.00225 51 5PX -0.00293 0.00596 -0.00044 -0.00382 -0.00148 52 5PY 0.00056 0.00174 0.00492 0.00337 0.00462 53 5PZ -0.00362 -0.00435 0.00030 0.00262 -0.00280 54 6PX 0.00255 -0.00355 -0.00345 -0.00427 -0.01055 55 6PY -0.00305 0.00292 -0.00048 0.00422 0.00124 56 6PZ -0.01124 -0.00581 -0.00461 -0.00680 0.00471 57 7D 0 0.00361 -0.00165 -0.00578 0.00387 0.05145 58 7D+1 0.00274 0.02825 -0.00739 0.03908 -0.00948 59 7D-1 -0.00144 0.00510 0.00390 0.00586 0.01553 60 7D+2 0.00249 -0.01288 -0.00448 -0.01902 -0.03626 61 7D-2 0.00177 0.01153 0.00374 0.01689 0.01030 62 8D 0 0.00120 -0.00036 -0.00168 0.00141 0.01714 63 8D+1 0.00011 0.00987 -0.00180 0.01342 -0.00330 64 8D-1 -0.00017 0.00185 0.00092 0.00161 0.00524 65 8D+2 0.00046 -0.00453 -0.00159 -0.00628 -0.01194 66 8D-2 0.00078 0.00342 0.00121 0.00589 0.00368 67 4 Cu 1S 0.00092 0.00290 -0.00034 0.00164 0.00143 68 2S 0.01078 -0.03908 -0.00201 -0.01432 0.00601 69 3S 0.01222 0.03664 -0.00039 0.02860 0.04089 70 4PX -0.00137 0.00598 -0.00245 0.00474 -0.01054 71 4PY -0.00031 -0.00847 -0.00341 0.00181 -0.00380 72 4PZ 0.00075 -0.00151 0.00376 -0.00545 -0.01362 73 5PX 0.00915 0.01633 -0.00330 0.00210 0.00994 74 5PY 0.00324 0.00548 0.00520 -0.00384 -0.00182 75 5PZ -0.00189 0.00729 -0.00543 0.00434 -0.00207 76 6PX -0.00168 0.01867 0.00723 0.01164 0.01507 77 6PY 0.00871 0.00122 0.00736 -0.00257 -0.00356 78 6PZ -0.00454 0.00067 0.00433 0.01390 0.01860 79 7D 0 -0.01579 0.00687 -0.01223 0.05966 0.02442 80 7D+1 -0.00322 -0.09962 -0.00138 -0.02406 -0.01865 81 7D-1 -0.00128 -0.00198 0.02559 0.01353 0.01279 82 7D+2 0.01460 -0.08582 -0.02963 -0.04480 -0.00883 83 7D-2 0.00319 -0.01735 0.03835 -0.01760 -0.00181 84 8D 0 -0.00493 0.00234 -0.00419 0.01979 0.00791 85 8D+1 -0.00248 -0.03263 -0.00041 -0.00882 -0.00631 86 8D-1 -0.00070 -0.00110 0.00809 0.00436 0.00369 87 8D+2 0.00313 -0.02858 -0.01025 -0.01468 -0.00279 88 8D-2 0.00118 -0.00586 0.01210 -0.00598 -0.00114 89 5 Cu 1S 0.00138 0.00149 0.00443 0.00098 -0.00013 90 2S 0.00875 -0.01338 -0.03517 -0.00984 -0.00965 91 3S 0.01433 0.01146 0.04004 0.00607 0.00812 92 4PX -0.00123 -0.00654 0.00286 0.00394 0.00812 93 4PY -0.00218 0.00386 0.00563 0.00157 0.00045 94 4PZ 0.00119 0.00369 0.00004 -0.00479 -0.00163 95 5PX 0.01010 0.00988 0.00981 -0.00385 0.00458 96 5PY 0.00814 -0.00191 0.01741 -0.00442 0.00708 97 5PZ -0.00059 -0.00101 0.01189 0.00665 -0.00120 98 6PX 0.00508 0.00008 0.00139 0.00556 -0.02993 99 6PY -0.00398 0.00036 0.00742 -0.00228 -0.00114 100 6PZ 0.00029 0.00566 -0.00108 0.00402 0.01122 101 7D 0 -0.01009 0.00029 0.03290 0.04123 0.02577 102 7D+1 -0.00253 0.00823 -0.02904 0.00470 -0.00772 103 7D-1 -0.01066 -0.02751 -0.05992 0.01288 0.00152 104 7D+2 -0.00642 0.05241 0.03805 0.02069 -0.02543 105 7D-2 0.00493 -0.00345 -0.06846 -0.02253 -0.01465 106 8D 0 -0.00309 -0.00025 0.01078 0.01350 0.00870 107 8D+1 -0.00069 0.00263 -0.00895 0.00086 -0.00230 108 8D-1 -0.00432 -0.00825 -0.01899 0.00363 0.00070 109 8D+2 -0.00175 0.01693 0.01234 0.00695 -0.00875 110 8D-2 0.00097 -0.00209 -0.02155 -0.00681 -0.00536 111 6 Cu 1S -0.00199 0.00007 -0.00060 -0.00032 0.00080 112 2S 0.00462 0.01920 -0.02273 -0.02232 -0.00886 113 3S -0.01037 -0.00358 -0.01152 -0.01726 0.00670 114 4PX 0.00004 -0.00081 -0.00106 -0.00258 0.00256 115 4PY -0.00141 0.00037 -0.00235 -0.00226 -0.00113 116 4PZ -0.00028 -0.00224 -0.00719 -0.00445 0.00402 117 5PX -0.00039 0.00555 0.00012 0.00122 0.00013 118 5PY -0.00238 -0.00143 0.00502 -0.00543 -0.00069 119 5PZ -0.00280 -0.00033 -0.00353 0.00460 -0.00076 120 6PX 0.00061 -0.00011 0.00066 0.00052 0.01139 121 6PY 0.00142 -0.00485 -0.00175 -0.00112 0.00060 122 6PZ -0.01105 -0.00581 -0.00442 -0.00846 0.01264 123 7D 0 0.00249 -0.00454 0.01249 0.00092 0.03160 124 7D+1 -0.00142 0.00809 0.02579 0.01858 -0.04308 125 7D-1 0.00285 0.00007 0.02830 0.03043 -0.02777 126 7D+2 -0.00026 0.00903 0.00963 0.01522 -0.05007 127 7D-2 0.00247 -0.00133 -0.00350 -0.00295 0.00343 128 8D 0 0.00107 -0.00148 0.00435 0.00028 0.01063 129 8D+1 -0.00068 0.00275 0.00873 0.00606 -0.01436 130 8D-1 0.00037 0.00065 0.00942 0.01061 -0.00949 131 8D+2 0.00032 0.00294 0.00317 0.00526 -0.01662 132 8D-2 0.00069 -0.00080 -0.00135 -0.00060 0.00130 133 7 Cu 1S -0.00299 0.00112 0.00115 0.00127 0.00019 134 2S -0.00227 -0.00593 -0.00143 -0.00786 -0.02349 135 3S -0.01468 0.03085 0.02492 0.03669 -0.01918 136 4PX -0.00199 -0.00617 0.00145 0.00147 -0.00535 137 4PY -0.00111 0.00010 -0.00603 -0.00021 0.00048 138 4PZ 0.00033 0.00180 0.00167 -0.00539 0.00012 139 5PX 0.00013 0.01707 -0.00170 -0.00413 -0.01103 140 5PY -0.00139 -0.00117 0.01678 -0.00077 -0.00054 141 5PZ -0.00464 -0.00425 -0.00151 0.01477 -0.00083 142 6PX -0.00717 0.00191 0.00142 0.00156 0.01489 143 6PY -0.00592 0.00315 0.00304 0.00373 -0.00627 144 6PZ 0.00518 0.00120 0.00136 0.00181 -0.01115 145 7D 0 0.00237 0.01349 0.00231 -0.00988 0.00400 146 7D+1 0.00195 -0.00148 -0.00057 0.00978 -0.00377 147 7D-1 0.00131 0.00399 0.00460 0.00490 0.02069 148 7D+2 -0.00101 -0.00667 0.01117 0.00202 -0.01126 149 7D-2 0.00091 0.00783 -0.00122 0.00230 -0.00835 150 8D 0 0.00130 0.00478 0.00092 -0.00328 0.00122 151 8D+1 0.00021 0.00006 -0.00002 0.00421 -0.00133 152 8D-1 0.00004 0.00145 0.00202 0.00214 0.00627 153 8D+2 -0.00048 -0.00228 0.00408 0.00046 -0.00358 154 8D-2 -0.00046 0.00330 -0.00024 0.00098 -0.00271 155 8 Cu 1S -0.00032 -0.00046 -0.00051 0.00005 -0.00079 156 2S -0.00771 -0.03159 -0.01393 0.01415 -0.01904 157 3S 0.00325 -0.01766 -0.00906 -0.00716 -0.02457 158 4PX -0.00017 -0.00469 -0.00639 -0.00180 -0.00929 159 4PY -0.00049 -0.00233 -0.00080 0.00005 0.00007 160 4PZ -0.00003 -0.00349 -0.00267 -0.00213 -0.00776 161 5PX 0.00187 0.00261 -0.00301 -0.00086 -0.00502 162 5PY 0.00160 -0.00404 0.00609 -0.00283 -0.00116 163 5PZ -0.00098 0.00135 -0.00117 0.00638 0.00496 164 6PX 0.00323 -0.00686 -0.00461 -0.00795 -0.00733 165 6PY 0.00360 0.00132 -0.00171 -0.00322 0.00346 166 6PZ 0.00382 -0.00178 -0.00044 -0.00171 -0.01148 167 7D 0 0.00012 0.01694 0.01420 0.01557 0.04588 168 7D+1 -0.00004 0.01187 0.01902 0.00041 0.00355 169 7D-1 -0.00015 0.01238 0.00543 0.00476 0.03375 170 7D+2 0.00111 0.01856 0.01511 0.00131 -0.03706 171 7D-2 -0.00070 0.03056 0.02054 0.00573 0.02951 172 8D 0 -0.00012 0.00559 0.00478 0.00516 0.01541 173 8D+1 0.00006 0.00393 0.00650 0.00002 0.00148 174 8D-1 -0.00002 0.00464 0.00149 0.00170 0.01142 175 8D+2 0.00028 0.00627 0.00521 0.00076 -0.01270 176 8D-2 -0.00080 0.01021 0.00698 0.00258 0.00964 177 9 C 1S 0.00126 0.00139 0.00853 -0.00021 0.00331 178 2S -0.00177 -0.00232 -0.01447 0.00047 -0.00390 179 3S -0.01028 0.00058 -0.02063 0.00592 -0.00385 180 4PX 0.00358 0.00368 0.00391 -0.00961 -0.00302 181 4PY -0.00170 0.00381 -0.00555 0.00905 -0.00664 182 4PZ 0.00176 -0.00944 0.00908 -0.00543 0.00567 183 5PX 0.00017 0.00437 -0.00068 -0.00256 0.00134 184 5PY -0.00299 0.00003 0.00028 0.00150 0.00042 185 5PZ 0.00014 -0.00276 0.00054 0.00242 0.00002 186 10 O 1S -0.00020 -0.00114 -0.00228 -0.00104 0.00099 187 2S 0.00039 0.00196 0.00482 0.00157 -0.00133 188 3S 0.00132 0.00548 0.00889 0.00552 -0.00266 189 4PX -0.00303 -0.00477 -0.00441 0.00688 -0.01612 190 4PY 0.00030 -0.01036 -0.00888 -0.01424 -0.00514 191 4PZ -0.00114 0.00818 -0.00625 0.00398 -0.00549 192 5PX -0.00143 -0.00507 -0.00219 0.00280 -0.00656 193 5PY 0.00197 -0.00275 -0.00408 -0.00436 -0.00320 194 5PZ -0.00030 0.00293 -0.00371 -0.00175 -0.00182 11 12 13 14 15 11 6PY 0.03265 12 6PZ -0.00531 0.02412 13 7D 0 -0.00345 0.02485 1.48452 14 7D+1 -0.00013 0.07712 0.00288 1.50072 15 7D-1 0.07653 0.03694 -0.00036 -0.00381 1.50740 16 7D+2 0.01758 -0.01033 0.00001 -0.00764 0.00808 17 7D-2 0.03599 -0.01544 0.00422 -0.00298 -0.00561 18 8D 0 -0.00103 0.00857 0.49400 0.00129 0.00098 19 8D+1 0.00020 0.02660 0.00160 0.49939 0.00017 20 8D-1 0.02610 0.01274 0.00082 -0.00001 0.50003 21 8D+2 0.00608 -0.00356 -0.00084 -0.00141 0.00204 22 8D-2 0.01234 -0.00485 0.00128 0.00042 -0.00040 23 2 Cu 1S 0.00200 0.00169 0.00449 -0.00230 0.00021 24 2S -0.01043 0.00813 0.07489 -0.01449 0.00233 25 3S 0.03025 0.04064 0.33549 0.05765 0.08509 26 4PX -0.00150 -0.00757 -0.00954 0.01651 -0.00075 27 4PY 0.01360 -0.00818 -0.01368 -0.00040 0.01099 28 4PZ 0.00752 -0.01165 -0.03430 -0.00786 -0.01204 29 5PX -0.00719 -0.00412 0.01109 -0.08369 0.01602 30 5PY -0.00122 0.00116 0.04228 0.01003 -0.07380 31 5PZ -0.00157 0.01147 0.16914 -0.00443 0.02992 32 6PX 0.00861 0.00455 -0.07448 -0.03678 0.04093 33 6PY -0.03769 0.00865 -0.01658 0.03100 -0.10154 34 6PZ -0.00953 0.01790 -0.06297 -0.01748 -0.01601 35 7D 0 0.03096 -0.02606 -0.03304 -0.01633 -0.02748 36 7D+1 -0.02093 -0.01120 -0.01576 0.05350 -0.00450 37 7D-1 -0.02206 0.00134 -0.02690 -0.00407 0.04764 38 7D+2 0.05274 0.00319 -0.00052 0.00689 -0.01344 39 7D-2 -0.03336 0.01152 -0.00789 0.01013 0.00683 40 8D 0 0.01054 -0.00846 -0.00689 -0.00362 -0.00559 41 8D+1 -0.00670 -0.00434 -0.00486 0.00844 -0.00046 42 8D-1 -0.00825 0.00022 -0.00679 -0.00035 0.00760 43 8D+2 0.01793 0.00090 -0.00050 0.00137 -0.00205 44 8D-2 -0.01102 0.00357 -0.00070 0.00102 0.00097 45 3 Cu 1S 0.00149 -0.00088 -0.00231 -0.00477 0.00227 46 2S -0.00072 -0.01383 -0.02180 -0.02520 0.01662 47 3S 0.01176 -0.02628 -0.07912 -0.16819 0.12362 48 4PX 0.00693 0.00033 -0.00017 -0.00202 0.00292 49 4PY 0.00437 -0.00614 -0.00101 0.00054 -0.00022 50 4PZ 0.00457 -0.01404 -0.00301 -0.00240 0.00006 51 5PX -0.00208 -0.00117 -0.00378 -0.02349 0.01294 52 5PY -0.00442 0.00749 0.00153 0.00743 -0.00534 53 5PZ -0.00188 -0.00374 -0.00870 -0.03351 0.01744 54 6PX 0.00824 0.00301 -0.02960 0.01034 0.01744 55 6PY 0.01367 -0.00514 0.03545 -0.01553 0.02037 56 6PZ 0.00466 -0.00878 0.04029 -0.01971 0.01625 57 7D 0 0.02495 -0.04664 -0.00011 -0.01023 -0.00233 58 7D+1 -0.03231 0.03739 -0.00923 -0.01056 0.00381 59 7D-1 -0.03045 0.00882 0.00665 0.00622 0.00521 60 7D+2 0.07295 -0.00136 -0.01099 0.00178 0.00722 61 7D-2 -0.05112 0.02148 -0.00268 0.00647 -0.00068 62 8D 0 0.00825 -0.01557 -0.00172 -0.00527 0.00008 63 8D+1 -0.01075 0.01232 -0.00484 -0.00687 0.00297 64 8D-1 -0.01042 0.00334 0.00342 0.00300 0.00140 65 8D+2 0.02409 -0.00031 -0.00361 -0.00041 0.00390 66 8D-2 -0.01720 0.00719 -0.00170 0.00346 -0.00029 67 4 Cu 1S 0.00212 0.00212 -0.00316 0.00069 -0.00083 68 2S -0.01196 0.00176 -0.03232 0.02961 0.00095 69 3S 0.02501 0.01998 -0.08780 0.21836 0.00235 70 4PX 0.01441 0.00506 0.00581 -0.02616 0.00152 71 4PY 0.01166 -0.00673 0.00242 -0.00167 0.00466 72 4PZ 0.00402 0.01131 0.01403 0.00092 0.00148 73 5PX -0.00062 0.00828 -0.04794 0.10665 -0.01289 74 5PY -0.00240 -0.00132 -0.01817 0.01516 -0.01505 75 5PZ -0.00641 0.00211 -0.05212 -0.04083 0.00139 76 6PX -0.02491 -0.00244 -0.01301 -0.00279 -0.01030 77 6PY -0.03086 0.01420 -0.03914 0.04158 -0.02675 78 6PZ 0.00301 -0.02433 0.06769 -0.11454 0.02073 79 7D 0 0.01315 -0.05570 0.01597 0.03473 0.00053 80 7D+1 -0.01828 -0.01785 0.04338 0.00615 -0.00084 81 7D-1 -0.02191 -0.00167 0.00113 -0.00258 -0.00458 82 7D+2 0.05680 0.00022 -0.01339 -0.03078 -0.00385 83 7D-2 -0.04305 -0.01140 -0.01005 0.00418 0.02822 84 8D 0 0.00476 -0.01901 0.00389 0.00523 0.00080 85 8D+1 -0.00583 -0.00664 0.00935 -0.00179 -0.00057 86 8D-1 -0.00720 0.00007 -0.00044 -0.00030 0.00016 87 8D+2 0.01881 0.00026 -0.00337 -0.00531 -0.00044 88 8D-2 -0.01508 -0.00354 -0.00382 0.00133 0.00574 89 5 Cu 1S 0.00325 -0.00092 -0.00085 -0.00092 -0.00070 90 2S 0.00132 -0.01391 -0.03025 0.00911 0.01380 91 3S 0.03791 0.00220 -0.14384 0.03179 0.11656 92 4PX -0.00918 0.00079 0.00741 0.00036 -0.00868 93 4PY -0.00906 0.00518 0.01501 -0.00414 -0.01261 94 4PZ -0.00836 0.00908 0.00709 0.00384 0.00516 95 5PX -0.00529 0.00186 -0.05074 -0.00031 0.04377 96 5PY 0.00238 0.01028 -0.09847 0.01988 0.07755 97 5PZ -0.00687 0.00427 -0.00223 -0.04529 -0.08195 98 6PX 0.02270 0.00527 -0.05206 0.02903 0.06946 99 6PY 0.01497 -0.01467 0.03967 -0.02501 -0.01819 100 6PZ 0.01797 -0.02648 0.06027 -0.03914 -0.05365 101 7D 0 -0.01205 -0.01862 -0.00142 0.00930 0.02630 102 7D+1 -0.01715 0.01269 0.01142 -0.00784 0.00800 103 7D-1 -0.00394 -0.02371 0.04021 0.01295 0.03198 104 7D+2 0.00180 0.00605 0.00098 0.02008 0.01499 105 7D-2 -0.00148 -0.00075 -0.00325 0.00979 -0.01238 106 8D 0 -0.00459 -0.00600 -0.00012 0.00134 0.00349 107 8D+1 -0.00673 0.00476 0.00105 -0.00202 -0.00095 108 8D-1 -0.00056 -0.00853 0.00881 0.00230 0.00558 109 8D+2 0.00061 0.00205 0.00054 0.00425 0.00438 110 8D-2 0.00008 -0.00011 -0.00185 0.00287 -0.00021 111 6 Cu 1S -0.00125 -0.00027 -0.00111 0.00000 -0.00601 112 2S -0.01119 -0.02072 -0.02545 0.00205 -0.03665 113 3S -0.02559 -0.01818 0.01073 0.03469 -0.19167 114 4PX -0.00785 -0.00209 -0.00049 0.00139 -0.00094 115 4PY -0.01083 0.00145 0.00084 0.00232 -0.00289 116 4PZ -0.00304 -0.01002 -0.00311 -0.00109 -0.00273 117 5PX 0.00510 0.00504 -0.00485 0.00023 -0.00147 118 5PY -0.00837 -0.00146 0.01110 -0.00202 -0.03007 119 5PZ -0.00480 -0.00216 0.01323 -0.00261 -0.03112 120 6PX -0.01327 -0.00143 0.02653 0.00088 -0.02922 121 6PY -0.00768 0.00588 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0.05572 180 4PX -0.00298 0.00477 -0.01564 0.00247 0.00242 181 4PY 0.02172 -0.01570 -0.00019 0.00119 0.01455 182 4PZ -0.01067 0.00449 -0.00920 -0.00201 -0.00009 183 5PX -0.00196 0.00063 0.01152 -0.00043 -0.02499 184 5PY -0.00029 0.00103 -0.01066 0.01405 0.00452 185 5PZ -0.00235 0.00195 0.01301 0.00327 -0.00802 186 10 O 1S -0.00778 0.00312 0.00148 0.00050 0.00062 187 2S 0.01486 -0.00518 -0.00207 -0.00075 -0.00194 188 3S 0.02661 -0.00971 -0.01691 -0.00570 -0.00322 189 4PX 0.02560 -0.01304 0.01510 -0.00245 -0.00224 190 4PY -0.01214 -0.00710 0.00372 -0.00162 -0.00525 191 4PZ 0.03494 -0.02706 0.00740 0.00302 0.00297 192 5PX 0.00863 -0.00475 0.00679 -0.00169 0.00541 193 5PY 0.00083 -0.00581 0.00148 -0.00502 -0.00083 194 5PZ 0.01041 -0.00974 0.00253 0.00090 0.00461 16 17 18 19 20 16 7D+2 1.49202 17 7D-2 0.00960 1.50343 18 8D 0 -0.00072 0.00093 0.16447 19 8D+1 -0.00073 0.00046 0.00071 0.16646 20 8D-1 0.00227 -0.00054 0.00067 0.00055 0.16610 21 8D+2 0.49496 0.00314 -0.00052 0.00014 0.00057 22 8D-2 0.00320 0.49815 0.00029 0.00070 0.00036 23 2 Cu 1S -0.00074 -0.00044 0.00210 -0.00071 0.00037 24 2S 0.00302 0.00582 0.02565 -0.00280 0.00230 25 3S 0.00537 0.00861 0.11265 0.01978 0.02932 26 4PX 0.00073 0.00275 -0.00174 0.00704 -0.00021 27 4PY -0.00255 0.00046 -0.00318 -0.00021 0.00534 28 4PZ 0.00207 0.00081 -0.00602 -0.00175 -0.00227 29 5PX 0.01016 -0.01536 0.00352 -0.02764 0.00534 30 5PY -0.01693 0.02223 0.01405 0.00363 -0.02470 31 5PZ 0.00213 -0.00524 0.05711 -0.00039 0.01081 32 6PX 0.06444 -0.03744 -0.02508 -0.01255 0.01379 33 6PY -0.09809 0.04827 -0.00567 0.01026 -0.03459 34 6PZ 0.00448 -0.00182 -0.02151 -0.00702 -0.00621 35 7D 0 0.00504 -0.00839 -0.01040 -0.00106 -0.00426 36 7D+1 0.01394 0.00849 -0.00304 0.00929 0.00022 37 7D-1 -0.02348 0.01223 -0.00689 0.00007 0.00808 38 7D+2 -0.00986 -0.00253 -0.00122 -0.00093 -0.00008 39 7D-2 0.00367 -0.01557 -0.00142 0.00115 -0.00019 40 8D 0 0.00120 -0.00218 -0.00208 0.00025 -0.00026 41 8D+1 0.00413 0.00045 -0.00089 0.00000 0.00039 42 8D-1 -0.00792 0.00515 -0.00158 0.00037 0.00001 43 8D+2 -0.00137 0.00024 -0.00051 -0.00059 0.00079 44 8D-2 0.00198 -0.00289 0.00018 -0.00035 -0.00045 45 3 Cu 1S -0.00003 0.00108 -0.00065 -0.00141 0.00068 46 2S -0.01419 0.01424 -0.00840 -0.01033 0.00470 47 3S 0.01839 0.06312 -0.02685 -0.05700 0.04137 48 4PX -0.00276 -0.00118 0.00072 -0.00058 0.00073 49 4PY -0.00122 0.00107 -0.00063 -0.00037 0.00008 50 4PZ -0.00001 0.00268 -0.00099 -0.00004 -0.00026 51 5PX 0.00875 0.00157 -0.00119 -0.00782 0.00472 52 5PY -0.00335 -0.00144 0.00082 0.00322 -0.00205 53 5PZ 0.01562 0.00412 -0.00293 -0.01143 0.00587 54 6PX 0.05071 -0.01432 -0.00980 0.00384 0.00586 55 6PY 0.05682 -0.00605 0.01169 -0.00539 0.00684 56 6PZ 0.01219 0.01215 0.01373 -0.00599 0.00572 57 7D 0 -0.00616 0.01175 -0.00189 -0.00513 -0.00053 58 7D+1 -0.00472 -0.00214 -0.00553 -0.00709 0.00278 59 7D-1 -0.00357 0.00521 0.00257 0.00257 0.00155 60 7D+2 -0.00452 0.00125 -0.00345 -0.00021 0.00371 61 7D-2 0.00485 0.00331 -0.00183 0.00276 -0.00017 62 8D 0 -0.00129 0.00493 -0.00120 -0.00234 0.00008 63 8D+1 -0.00287 0.00033 -0.00244 -0.00349 0.00142 64 8D-1 -0.00112 0.00225 0.00130 0.00125 0.00039 65 8D+2 -0.00074 0.00033 -0.00113 -0.00037 0.00174 66 8D-2 0.00170 0.00055 -0.00086 0.00142 -0.00010 67 4 Cu 1S 0.00367 -0.00131 -0.00134 0.00061 -0.00025 68 2S 0.05805 -0.02377 -0.01033 0.01192 0.00136 69 3S 0.25966 -0.00563 -0.03021 0.07402 0.00138 70 4PX -0.02303 -0.00220 0.00002 -0.00584 0.00089 71 4PY -0.00497 0.01484 0.00043 -0.00014 0.00184 72 4PZ -0.01841 0.00141 0.00442 0.00321 0.00011 73 5PX 0.11149 -0.03192 -0.01598 0.03684 -0.00355 74 5PY -0.02520 -0.06768 -0.00607 0.00512 -0.00534 75 5PZ 0.08737 -0.00457 -0.01665 -0.01333 0.00069 76 6PX -0.07060 -0.02545 -0.00463 -0.00196 -0.00401 77 6PY -0.10031 -0.04611 -0.01283 0.01382 -0.00929 78 6PZ 0.01306 0.04133 0.02240 -0.03894 0.00685 79 7D 0 -0.00954 -0.00206 0.00201 0.00440 0.00112 80 7D+1 -0.02649 -0.00258 0.01141 -0.00012 0.00079 81 7D-1 -0.00457 0.02753 -0.00069 -0.00140 -0.00021 82 7D+2 -0.02394 -0.00308 -0.00248 -0.00640 0.00084 83 7D-2 -0.00873 0.04905 -0.00374 0.00255 0.00578 84 8D 0 -0.00164 0.00030 0.00021 -0.00063 0.00058 85 8D+1 -0.00430 -0.00078 0.00213 -0.00131 0.00012 86 8D-1 -0.00132 0.00428 -0.00048 -0.00023 0.00055 87 8D+2 -0.00668 -0.00048 -0.00048 -0.00048 0.00056 88 8D-2 -0.00539 0.00935 -0.00141 0.00081 0.00069 89 5 Cu 1S -0.00109 -0.00023 -0.00055 -0.00040 -0.00039 90 2S -0.04982 0.02974 -0.00961 0.00381 0.00525 91 3S -0.21210 0.16850 -0.04794 0.01069 0.03850 92 4PX 0.01412 0.00340 0.00177 0.00049 -0.00246 93 4PY 0.02147 -0.02043 0.00323 -0.00076 -0.00286 94 4PZ 0.00715 -0.00906 0.00210 0.00187 0.00391 95 5PX -0.06086 -0.08082 -0.01703 0.00023 0.01499 96 5PY -0.14558 0.13790 -0.03175 0.00859 0.02726 97 5PZ -0.00953 0.03366 -0.00034 -0.01542 -0.02690 98 6PX 0.02595 -0.12977 -0.01718 0.00916 0.02321 99 6PY 0.05466 -0.00601 0.01337 -0.00859 -0.00622 100 6PZ 0.02862 0.07018 0.01996 -0.01362 -0.01821 101 7D 0 0.00096 -0.00263 -0.00095 0.00159 0.00419 102 7D+1 0.01822 0.00223 0.00270 -0.00112 0.00040 103 7D-1 0.02290 -0.01380 0.01115 0.00267 0.00491 104 7D+2 0.01755 0.03434 -0.00114 0.00427 0.00423 105 7D-2 0.04616 0.01004 -0.00055 0.00354 -0.00190 106 8D 0 0.00025 -0.00017 -0.00018 -0.00001 -0.00028 107 8D+1 0.00089 -0.00053 0.00001 -0.00014 -0.00098 108 8D-1 0.00537 0.00025 0.00221 0.00020 -0.00001 109 8D+2 0.00454 0.00475 -0.00028 0.00064 0.00114 110 8D-2 0.00803 -0.00046 -0.00045 0.00102 0.00062 111 6 Cu 1S 0.00163 0.00191 -0.00030 -0.00003 -0.00189 112 2S 0.02440 -0.00651 -0.00920 -0.00061 -0.01372 113 3S 0.03404 0.12355 0.00342 0.01197 -0.06468 114 4PX 0.00018 -0.00051 -0.00001 0.00016 -0.00064 115 4PY 0.00210 -0.00177 0.00081 0.00067 -0.00042 116 4PZ 0.00130 0.00187 -0.00147 -0.00039 -0.00077 117 5PX 0.00811 -0.00743 -0.00154 0.00045 0.00012 118 5PY -0.00781 0.01746 0.00380 -0.00029 -0.01050 119 5PZ 0.00549 0.02554 0.00448 -0.00103 -0.01040 120 6PX -0.05167 0.04621 0.00873 0.00014 -0.00995 121 6PY -0.04320 0.02279 -0.01271 0.00884 -0.00147 122 6PZ 0.01655 0.02734 0.01947 0.00053 -0.00383 123 7D 0 0.00531 0.00445 0.00058 -0.00247 -0.00388 124 7D+1 0.00269 0.00066 0.00217 0.00267 0.00093 125 7D-1 0.00850 -0.00254 -0.00269 -0.00106 -0.00839 126 7D+2 -0.00190 0.00384 0.00068 -0.00142 0.00400 127 7D-2 -0.00132 0.00504 -0.00281 0.00483 0.00049 128 8D 0 0.00295 0.00401 0.00027 -0.00101 -0.00186 129 8D+1 0.00201 0.00055 0.00087 0.00118 0.00055 130 8D-1 0.00476 -0.00179 -0.00106 -0.00049 -0.00432 131 8D+2 -0.00100 0.00041 -0.00005 -0.00048 0.00195 132 8D-2 -0.00098 0.00251 -0.00105 0.00216 0.00023 133 7 Cu 1S -0.00060 -0.00240 -0.00026 -0.00116 -0.00092 134 2S -0.01180 -0.00652 -0.00441 -0.00768 -0.00647 135 3S 0.00206 -0.10644 -0.01409 -0.06201 -0.04022 136 4PX -0.00393 -0.00160 0.00180 -0.00094 0.00115 137 4PY 0.00279 -0.00358 0.00080 0.00077 -0.00138 138 4PZ 0.00128 0.00133 -0.00189 -0.00012 -0.00007 139 5PX 0.01495 -0.01635 -0.00625 -0.00690 -0.00912 140 5PY -0.01107 0.00225 -0.00336 -0.00693 0.00055 141 5PZ -0.00059 -0.02992 0.00352 -0.01182 -0.00854 142 6PX -0.02943 0.03898 0.01249 -0.01440 -0.01406 143 6PY 0.08791 -0.04243 0.00750 -0.01643 0.00323 144 6PZ -0.03376 -0.03911 -0.02045 0.00198 -0.00252 145 7D 0 -0.00046 -0.00772 0.00085 -0.00038 -0.00144 146 7D+1 0.00038 -0.00566 -0.00133 -0.00508 -0.00571 147 7D-1 -0.00229 -0.00266 -0.00006 -0.00435 -0.00075 148 7D+2 0.00282 -0.00005 0.00056 0.00100 -0.00252 149 7D-2 0.00086 -0.00441 -0.00267 -0.00342 -0.00081 150 8D 0 -0.00080 -0.00497 0.00093 -0.00049 -0.00085 151 8D+1 0.00038 -0.00407 -0.00091 -0.00263 -0.00303 152 8D-1 -0.00068 -0.00158 -0.00035 -0.00198 -0.00046 153 8D+2 0.00239 -0.00112 0.00034 0.00043 -0.00153 154 8D-2 -0.00074 -0.00173 -0.00085 -0.00185 -0.00029 155 8 Cu 1S -0.00284 -0.00573 0.00042 0.00002 0.00007 156 2S -0.01958 -0.02957 0.01075 -0.00699 -0.00325 157 3S -0.09202 -0.19516 0.00892 0.02382 0.01595 158 4PX -0.00240 -0.00285 -0.00009 -0.00051 0.00050 159 4PY 0.00073 -0.00182 0.00094 0.00071 -0.00082 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0.01114 0.01785 180 4PX -0.01258 0.00560 -0.00547 0.00163 0.00144 181 4PY 0.00191 0.01053 -0.00009 0.00069 0.00385 182 4PZ -0.02353 0.00906 -0.00304 0.00022 0.00115 183 5PX 0.01358 0.00596 0.00379 0.00008 -0.00842 184 5PY -0.02468 0.00901 -0.00355 0.00502 0.00148 185 5PZ 0.01373 -0.03204 0.00432 0.00132 -0.00273 186 10 O 1S 0.00234 -0.00033 0.00054 0.00010 -0.00038 187 2S -0.00366 -0.00017 -0.00079 -0.00005 0.00056 188 3S -0.02517 0.00577 -0.00568 -0.00195 -0.00049 189 4PX 0.01320 -0.00053 0.00487 -0.00138 -0.00138 190 4PY 0.00712 -0.00777 0.00073 -0.00034 -0.00077 191 4PZ 0.02002 -0.00925 0.00182 0.00036 -0.00037 192 5PX 0.00588 -0.00083 0.00221 -0.00084 0.00173 193 5PY 0.00647 -0.00329 0.00028 -0.00186 -0.00017 194 5PZ 0.01099 0.00158 0.00054 0.00004 0.00127 21 22 23 24 25 21 8D+2 0.16429 22 8D-2 0.00110 0.16524 23 2 Cu 1S -0.00036 -0.00012 2.00808 24 2S 0.00096 0.00283 0.01172 0.30111 25 3S 0.00089 0.00373 0.03922 0.05455 0.67456 26 4PX 0.00007 0.00080 0.00472 0.02387 -0.09210 27 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-0.07060 67 4 Cu 1S 0.00170 -0.00030 -0.00389 -0.01003 0.00200 68 2S 0.01966 -0.00647 -0.01003 0.07387 -0.09241 69 3S 0.08671 -0.00107 0.00205 -0.09229 0.02001 70 4PX -0.00368 -0.00025 -0.00332 -0.03227 -0.00691 71 4PY -0.00069 0.00597 0.00047 -0.00541 0.02366 72 4PZ -0.00441 0.00051 0.00235 0.02032 0.01656 73 5PX 0.03750 -0.01009 -0.00300 0.04555 -0.01696 74 5PY -0.00876 -0.02254 0.00047 0.02743 0.00024 75 5PZ 0.02947 -0.00131 0.00247 -0.02702 0.01052 76 6PX -0.02394 -0.00940 -0.00067 -0.01954 -0.04110 77 6PY -0.03363 -0.01573 -0.00179 0.01844 -0.03217 78 6PZ 0.00427 0.01370 -0.00027 0.00556 0.01035 79 7D 0 0.00082 0.00070 -0.00156 -0.01672 0.00335 80 7D+1 -0.00490 -0.00019 -0.00125 -0.06447 -0.29682 81 7D-1 -0.00169 0.00415 -0.00201 -0.00596 0.02158 82 7D+2 -0.00857 0.00240 -0.00041 0.01643 0.22455 83 7D-2 -0.00411 0.00882 0.00325 0.02092 -0.03406 84 8D 0 0.00077 0.00055 -0.00049 -0.00589 0.00041 85 8D+1 -0.00013 -0.00005 -0.00043 -0.02139 -0.10074 86 8D-1 -0.00049 -0.00019 -0.00079 -0.00177 0.00591 87 8D+2 -0.00242 0.00099 0.00001 0.00444 0.07507 88 8D-2 -0.00219 0.00066 0.00104 0.00698 -0.01295 89 5 Cu 1S -0.00079 -0.00005 -0.00320 -0.00552 -0.00731 90 2S -0.01607 0.01030 -0.00813 0.05853 -0.09733 91 3S -0.07090 0.05597 -0.00469 -0.04692 -0.15269 92 4PX 0.00447 0.00362 -0.00086 -0.02027 -0.00954 93 4PY 0.00420 -0.00500 -0.00129 -0.02503 0.00040 94 4PZ 0.00168 -0.00252 0.00127 0.02453 0.00023 95 5PX -0.01953 -0.02670 -0.00109 0.05934 0.02279 96 5PY -0.04766 0.04691 -0.00644 0.02587 -0.12136 97 5PZ -0.00288 0.01127 0.00618 -0.02660 0.11436 98 6PX 0.00873 -0.04376 -0.00047 -0.02364 0.02654 99 6PY 0.01864 -0.00223 -0.00074 -0.00359 -0.02073 100 6PZ 0.00995 0.02326 0.00065 0.00491 0.01909 101 7D 0 -0.00068 0.00089 -0.00130 -0.00367 0.01605 102 7D+1 0.00308 -0.00052 -0.00162 -0.01677 -0.08186 103 7D-1 0.00694 -0.00209 0.00009 -0.05430 -0.11570 104 7D+2 0.00245 0.00595 0.00238 0.00254 -0.03207 105 7D-2 0.01161 -0.00119 0.00158 0.01588 0.08247 106 8D 0 -0.00025 0.00048 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0.00310 0.00079 -0.00664 -0.00829 185 5PZ 0.00434 -0.01065 -0.00078 0.00557 0.00824 186 10 O 1S 0.00069 -0.00053 -0.00016 -0.00166 -0.01273 187 2S -0.00108 0.00084 -0.00002 0.00538 0.02095 188 3S -0.00822 0.00231 -0.00044 -0.00299 0.03585 189 4PX 0.00357 -0.00067 -0.00016 -0.03968 0.03264 190 4PY 0.00189 -0.00161 0.00089 -0.00031 -0.05997 191 4PZ 0.00604 -0.00375 -0.00087 0.00193 0.05530 192 5PX 0.00166 -0.00039 -0.00016 -0.02421 0.01309 193 5PY 0.00202 -0.00097 -0.00002 -0.00271 -0.01037 194 5PZ 0.00349 0.00046 0.00001 0.00339 0.00940 26 27 28 29 30 26 4PX 1.99549 27 4PY -0.00221 1.99761 28 4PZ 0.00220 0.00068 1.99755 29 5PX 0.03920 0.01518 -0.01508 0.08208 30 5PY 0.01334 0.03046 -0.01141 -0.01148 0.08558 31 5PZ -0.01333 -0.01145 0.03032 0.01125 0.00464 32 6PX -0.01935 0.02511 -0.02516 0.01521 0.00130 33 6PY 0.02239 -0.04212 -0.01403 0.00002 0.01351 34 6PZ -0.02249 -0.01415 -0.04189 0.00024 0.00608 35 7D 0 0.00206 0.00093 0.00548 -0.04548 -0.03727 36 7D+1 -0.00232 0.00045 -0.00316 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0.01042 0.00213 57 7D 0 -0.00422 0.00535 -0.01334 0.03960 -0.03880 58 7D+1 0.01906 -0.01356 -0.00153 -0.08250 0.06740 59 7D-1 -0.01103 0.00006 0.00106 0.04105 0.00088 60 7D+2 0.00501 -0.01887 0.01239 -0.05982 0.08672 61 7D-2 -0.02091 0.00119 -0.01373 0.09384 0.03461 62 8D 0 -0.00001 0.00084 -0.00453 0.01311 -0.01298 63 8D+1 0.00468 -0.00347 -0.00304 -0.02809 0.02274 64 8D-1 -0.00275 -0.00088 0.00128 0.01487 -0.00001 65 8D+2 -0.00060 -0.00598 0.00326 -0.01967 0.02832 66 8D-2 -0.00511 -0.00232 -0.00349 0.03193 0.01143 67 4 Cu 1S 0.00326 -0.00069 -0.00238 0.00329 -0.00064 68 2S 0.02705 -0.01592 -0.02230 -0.03209 0.04126 69 3S 0.02281 0.01845 -0.00491 0.01480 -0.00528 70 4PX 0.00261 -0.00106 0.00237 -0.00046 -0.00229 71 4PY 0.00015 0.00298 -0.00156 -0.00623 -0.00699 72 4PZ 0.00264 -0.00073 0.00466 -0.01323 0.00360 73 5PX 0.00163 0.00472 -0.01221 0.00675 0.00306 74 5PY -0.00027 -0.00936 0.00173 -0.00501 0.01406 75 5PZ -0.01405 -0.00045 -0.00834 0.00873 -0.00756 76 6PX 0.00802 0.00032 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-0.02935 0.02491 0.01100 97 5PZ -0.00797 -0.02908 0.00850 -0.02325 0.01109 98 6PX 0.00356 0.00233 -0.00141 -0.01403 0.00056 99 6PY 0.00051 0.01641 0.01301 -0.00040 -0.00082 100 6PZ -0.00003 0.01313 0.01727 0.00047 -0.00647 101 7D 0 0.00348 0.00843 0.00205 -0.01385 -0.00186 102 7D+1 0.00343 -0.00341 0.00158 0.00890 0.02287 103 7D-1 -0.00173 -0.01789 0.01675 0.00432 0.06711 104 7D+2 -0.00604 -0.00407 0.00991 0.02394 0.02648 105 7D-2 -0.00338 0.00163 -0.00334 -0.01017 -0.02281 106 8D 0 0.00134 0.00282 0.00217 -0.00466 0.00067 107 8D+1 0.00151 -0.00127 -0.00010 0.00331 0.00783 108 8D-1 -0.00069 -0.00421 0.00389 0.00216 0.02227 109 8D+2 -0.00229 0.00044 0.00241 0.00817 0.00962 110 8D-2 -0.00150 -0.00011 -0.00122 -0.00375 -0.00725 111 6 Cu 1S 0.00050 0.00412 0.00060 0.00110 0.00272 112 2S -0.00596 0.04873 0.00827 0.03055 -0.08343 113 3S 0.00303 0.03196 -0.00273 0.02735 0.00639 114 4PX 0.00041 0.00187 0.00118 -0.00149 -0.00709 115 4PY -0.00167 0.00176 0.00139 0.00568 0.00521 116 4PZ 0.00068 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5PY 0.00224 -0.00692 0.01125 -0.00002 -0.01388 53 5PZ 0.00494 0.00663 -0.00021 0.01093 -0.05359 54 6PX 0.00014 0.01917 -0.01529 0.01316 -0.01310 55 6PY 0.00240 0.00337 -0.02669 -0.00895 0.02035 56 6PZ 0.00124 -0.00475 -0.00850 -0.02749 0.05902 57 7D 0 0.05094 -0.01252 -0.04436 -0.07882 0.01644 58 7D+1 0.04727 0.01913 0.05171 0.12919 0.02908 59 7D-1 -0.00580 -0.00485 0.00668 -0.00506 -0.01935 60 7D+2 -0.06696 0.01653 -0.05644 -0.00699 -0.00130 61 7D-2 0.06895 -0.01634 0.12961 0.05215 0.00372 62 8D 0 0.01647 -0.00398 -0.01458 -0.02583 0.00234 63 8D+1 0.01566 0.00684 0.01705 0.04366 0.00348 64 8D-1 -0.00164 -0.00187 0.00266 -0.00213 -0.00407 65 8D+2 -0.02207 0.00516 -0.01835 -0.00236 0.00065 66 8D-2 0.02324 -0.00591 0.04383 0.01720 -0.00219 67 4 Cu 1S -0.00203 -0.00046 -0.00184 -0.00042 -0.00111 68 2S 0.02869 0.01517 0.01212 -0.01940 -0.02203 69 3S -0.01219 0.01432 -0.04165 -0.02915 0.00875 70 4PX -0.01112 0.00671 -0.00030 0.01517 -0.00427 71 4PY 0.00716 -0.00524 -0.00083 -0.00178 0.00284 72 4PZ -0.00862 0.01470 -0.00591 0.01955 -0.00627 73 5PX 0.01007 0.02604 -0.01079 -0.00087 -0.01075 74 5PY -0.00203 0.00319 0.00248 0.00325 -0.01465 75 5PZ 0.01441 -0.00206 0.00399 0.02428 -0.01998 76 6PX -0.00259 -0.01275 0.02507 -0.00441 0.00619 77 6PY -0.00454 0.00342 0.03444 0.01602 -0.02993 78 6PZ 0.02486 -0.01937 0.00314 -0.02565 0.00506 79 7D 0 0.02037 -0.02321 -0.00621 -0.01215 0.02938 80 7D+1 -0.08256 0.00457 0.02559 0.00009 -0.02113 81 7D-1 0.01851 -0.01383 0.03474 -0.03479 0.00240 82 7D+2 0.05575 -0.02798 -0.05603 -0.00042 -0.02671 83 7D-2 0.00617 -0.01781 0.00046 -0.02018 0.00844 84 8D 0 0.00757 -0.00706 -0.00264 -0.00349 0.00540 85 8D+1 -0.02851 0.00170 0.00799 -0.00048 -0.00483 86 8D-1 0.00669 -0.00363 0.01125 -0.01158 0.00183 87 8D+2 0.01822 -0.00999 -0.01852 -0.00026 -0.00605 88 8D-2 0.00232 -0.00606 0.00146 -0.00537 0.00127 89 5 Cu 1S -0.00485 0.00158 -0.00084 0.00095 -0.00079 90 2S 0.02434 0.01327 0.00806 -0.00811 0.00152 91 3S -0.04443 0.01507 0.01870 -0.01651 0.05558 92 4PX -0.00152 -0.00101 0.00190 -0.00133 -0.00110 93 4PY -0.01698 -0.00286 0.00812 0.01366 -0.00612 94 4PZ 0.00214 0.00336 0.01355 0.00947 -0.00157 95 5PX 0.00570 0.00859 0.00244 -0.00172 -0.01198 96 5PY 0.00980 0.01540 0.03227 -0.00352 0.01980 97 5PZ 0.01255 -0.01414 -0.00333 0.03171 -0.05358 98 6PX -0.00047 0.01560 -0.02053 0.01753 -0.01397 99 6PY -0.00586 0.00379 -0.02327 -0.02478 0.02783 100 6PZ -0.00099 -0.00557 -0.02380 -0.02559 0.01619 101 7D 0 0.01899 -0.02560 0.02868 -0.00356 0.02886 102 7D+1 -0.02206 0.04256 -0.01479 0.02098 -0.00272 103 7D-1 -0.06509 0.00104 -0.01767 0.01525 0.00065 104 7D+2 -0.01660 0.04245 -0.02168 0.03410 0.02205 105 7D-2 0.02202 -0.04657 0.02398 -0.01662 -0.01798 106 8D 0 0.00765 -0.00889 0.01041 -0.00089 0.00529 107 8D+1 -0.00693 0.01432 -0.00370 0.00662 -0.00039 108 8D-1 -0.02181 0.00030 -0.00602 0.00518 -0.00012 109 8D+2 -0.00479 0.01480 -0.00746 0.01226 0.00470 110 8D-2 0.00749 -0.01570 0.00755 -0.00435 -0.00350 111 6 Cu 1S -0.00073 -0.00169 0.00240 0.00134 0.00169 112 2S -0.02722 0.02450 0.01572 -0.01569 -0.01006 113 3S -0.00121 -0.00198 0.05017 0.00112 -0.05418 114 4PX -0.00545 0.00166 0.01423 -0.00818 0.00229 115 4PY -0.00161 0.00603 0.02334 -0.00002 0.01376 116 4PZ -0.00981 -0.00942 0.00224 -0.00658 0.01169 117 5PX 0.00505 0.01032 -0.01078 0.00130 -0.01496 118 5PY 0.00560 0.00224 0.02005 0.00332 -0.04416 119 5PZ 0.00737 -0.00067 0.00868 0.00949 -0.05267 120 6PX 0.00018 -0.02009 0.02302 -0.00765 0.01079 121 6PY 0.00126 -0.00276 0.01729 0.01116 -0.01344 122 6PZ -0.00119 -0.00952 -0.00774 -0.03711 0.06316 123 7D 0 0.01452 -0.02101 -0.02183 -0.08791 -0.00895 124 7D+1 0.02274 0.03809 -0.00645 0.04514 -0.00596 125 7D-1 0.06831 0.03930 0.01560 0.10364 0.03022 126 7D+2 0.05484 0.10052 -0.06115 0.03647 -0.00944 127 7D-2 0.00545 0.03143 -0.01561 0.02797 -0.00087 128 8D 0 0.00451 -0.00694 -0.00754 -0.02932 -0.00310 129 8D+1 0.00761 0.01281 -0.00252 0.01475 -0.00094 130 8D-1 0.02287 0.01325 0.00612 0.03534 0.00322 131 8D+2 0.01848 0.03377 -0.02082 0.01203 -0.00459 132 8D-2 0.00213 0.01073 -0.00635 0.00923 -0.00102 133 7 Cu 1S 0.00067 -0.00039 0.00037 0.00187 0.00294 134 2S -0.04144 0.01494 0.01908 -0.01209 0.00988 135 3S 0.00548 0.01594 0.02773 0.04180 -0.16847 136 4PX 0.00266 0.00614 -0.01502 -0.00076 0.01374 137 4PY 0.00311 -0.01474 0.02069 -0.00470 0.00912 138 4PZ -0.00677 0.00449 -0.00075 -0.00116 0.00983 139 5PX -0.00345 0.02621 0.00056 0.01019 -0.05858 140 5PY -0.00722 0.00222 0.02399 0.00458 -0.03916 141 5PZ 0.01365 -0.00373 0.00439 0.00241 -0.05874 142 6PX 0.00356 -0.01278 0.00562 -0.02330 0.00304 143 6PY 0.00949 0.01911 -0.02713 0.00071 -0.01873 144 6PZ 0.00155 -0.00082 0.01355 0.03539 -0.04024 145 7D 0 -0.02570 0.03220 -0.00157 -0.05495 -0.02006 146 7D+1 0.02077 0.01768 -0.01862 -0.00317 0.02033 147 7D-1 0.01474 -0.01670 0.03738 -0.03075 0.01789 148 7D+2 -0.01629 0.00596 -0.01043 0.02205 0.00529 149 7D-2 -0.01634 -0.00528 0.00087 0.02340 0.00961 150 8D 0 -0.00887 0.01103 -0.00040 -0.01850 -0.00665 151 8D+1 0.00669 0.00614 -0.00491 0.00029 0.00152 152 8D-1 0.00438 -0.00457 0.01233 -0.00993 0.00299 153 8D+2 -0.00560 0.00111 -0.00289 0.00685 0.00165 154 8D-2 -0.00579 -0.00191 -0.00029 0.00723 0.00293 155 8 Cu 1S 0.00006 -0.00018 -0.00084 0.00078 0.00146 156 2S 0.00689 -0.02561 -0.00206 0.00203 0.00902 157 3S 0.01516 -0.01104 -0.00386 0.00309 0.02558 158 4PX -0.00007 0.00302 -0.00761 0.00741 0.00124 159 4PY -0.00068 -0.00662 0.01059 0.00349 0.00196 160 4PZ -0.00449 0.00652 0.00348 0.01035 0.00166 161 5PX 0.00256 0.00570 0.00055 -0.00078 -0.00191 162 5PY 0.00327 0.00275 0.00057 -0.00013 -0.00791 163 5PZ 0.01711 -0.00271 0.00004 0.00072 -0.01608 164 6PX 0.00471 0.00301 -0.00698 0.00699 0.00157 165 6PY -0.00168 -0.00628 0.01646 0.00761 0.00301 166 6PZ -0.00897 0.00666 0.00747 0.01656 -0.00697 167 7D 0 0.02793 -0.04095 -0.03424 -0.07667 -0.00286 168 7D+1 0.00795 -0.00286 -0.05142 0.01215 -0.00638 169 7D-1 0.00647 -0.05601 0.02269 -0.01400 -0.00479 170 7D+2 -0.01831 0.06259 -0.06603 -0.00366 -0.00236 171 7D-2 -0.02498 -0.00339 0.01986 -0.05174 -0.00062 172 8D 0 0.00917 -0.01378 -0.01129 -0.02532 -0.00043 173 8D+1 0.00306 -0.00103 -0.01712 0.00397 -0.00254 174 8D-1 0.00263 -0.01852 0.00727 -0.00440 -0.00218 175 8D+2 -0.00636 0.02112 -0.02185 -0.00118 -0.00087 176 8D-2 -0.00871 -0.00106 0.00650 -0.01723 -0.00051 177 9 C 1S 0.00129 0.00409 0.00447 -0.00392 -0.00050 178 2S -0.00026 -0.01018 -0.00861 0.00744 -0.00063 179 3S -0.00869 -0.01445 -0.00811 0.00739 0.02262 180 4PX -0.00260 0.00135 0.02844 -0.02832 -0.00219 181 4PY 0.00873 -0.01059 -0.01182 0.00680 -0.00567 182 4PZ 0.01027 0.00961 0.00457 -0.01012 -0.00516 183 5PX -0.00008 0.00331 0.00337 -0.00334 -0.00657 184 5PY 0.00199 -0.00060 0.00282 0.00100 -0.00125 185 5PZ 0.01094 0.00067 0.00088 0.00315 -0.00994 186 10 O 1S -0.00401 -0.00015 0.00335 -0.00363 0.00005 187 2S 0.00894 0.00078 -0.00558 0.00616 0.00001 188 3S 0.00783 -0.00042 -0.01059 0.01161 -0.00152 189 4PX 0.00276 -0.04691 0.02903 -0.02853 0.00212 190 4PY -0.01024 -0.00565 0.00825 -0.03663 0.00391 191 4PZ -0.01284 0.00589 -0.03695 0.00721 0.00337 192 5PX 0.00183 -0.02173 0.01240 -0.01228 0.00326 193 5PY -0.00631 -0.00371 -0.00052 -0.01323 0.00242 194 5PZ -0.00961 0.00367 -0.01377 -0.00102 0.00561 36 37 38 39 40 36 7D+1 1.49367 37 7D-1 0.00221 1.48277 38 7D+2 -0.00069 -0.00048 1.50398 39 7D-2 -0.00875 -0.00187 -0.00697 1.49502 40 8D 0 -0.00180 0.00101 -0.00019 -0.00152 0.16072 41 8D+1 0.48846 0.00059 -0.00100 -0.00294 -0.00038 42 8D-1 0.00121 0.48241 -0.00214 -0.00109 0.00068 43 8D+2 -0.00093 -0.00236 0.49105 -0.00140 -0.00002 44 8D-2 -0.00293 -0.00044 -0.00140 0.48878 -0.00062 45 3 Cu 1S 0.00253 -0.00094 -0.00428 -0.00242 0.00061 46 2S 0.02518 -0.03727 -0.02610 -0.02600 0.00442 47 3S 0.16932 -0.12092 -0.02658 -0.17888 0.00126 48 4PX -0.01516 0.01279 -0.00551 0.01692 -0.00098 49 4PY 0.01199 0.00066 0.01703 0.00061 0.00132 50 4PZ 0.00295 -0.00215 -0.00617 0.01190 0.00474 51 5PX 0.06820 -0.04769 0.01401 -0.07389 -0.00471 52 5PY -0.04854 0.00438 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-0.00476 0.00021 112 2S -0.01330 0.04162 -0.01989 -0.05221 -0.00321 113 3S -0.01582 0.13406 -0.17269 -0.13961 -0.01835 114 4PX 0.00522 0.00244 -0.00506 0.01676 0.00067 115 4PY 0.00210 -0.01528 0.02621 0.00435 0.00057 116 4PZ -0.00214 0.01461 0.00860 0.00306 0.00334 117 5PX -0.01462 -0.00773 0.03704 -0.03865 -0.00506 118 5PY -0.00270 0.06294 -0.11000 -0.03878 -0.01464 119 5PZ 0.01959 -0.01974 -0.03049 -0.00977 -0.01769 120 6PX 0.00096 -0.00807 -0.03659 0.05079 0.00362 121 6PY 0.01222 -0.00021 -0.02353 -0.01084 -0.00449 122 6PZ -0.02986 0.01939 -0.00053 -0.02107 0.02152 123 7D 0 0.00034 0.03826 -0.00285 0.00522 -0.00140 124 7D+1 -0.01502 -0.00870 -0.00575 0.01212 -0.00098 125 7D-1 -0.00419 0.04200 0.02105 0.00356 0.00539 126 7D+2 -0.00869 0.01593 -0.03002 -0.01487 -0.00266 127 7D-2 0.01368 0.00390 -0.01177 0.05455 -0.00031 128 8D 0 0.00156 0.01108 -0.00126 0.00325 -0.00050 129 8D+1 -0.00292 -0.00439 -0.00085 0.00178 0.00004 130 8D-1 0.00044 0.00700 0.00443 -0.00056 -0.00048 131 8D+2 -0.00238 0.00312 -0.00851 -0.00409 -0.00136 132 8D-2 0.00172 -0.00001 0.00071 0.00941 -0.00033 133 7 Cu 1S 0.00247 0.00185 -0.00023 0.00068 0.00087 134 2S 0.02983 0.02456 0.02488 0.05445 0.00418 135 3S 0.12034 0.08078 0.10822 0.28035 -0.05629 136 4PX -0.00439 -0.00594 -0.00501 -0.02518 0.00157 137 4PY -0.00351 0.00039 -0.01350 -0.01337 0.00110 138 4PZ 0.00795 0.00769 -0.00221 -0.00121 0.00360 139 5PX 0.04213 0.03930 0.05374 0.09576 -0.01956 140 5PY 0.02894 0.00196 0.00441 0.07807 -0.01307 141 5PZ 0.00331 -0.00003 0.01621 0.01867 -0.01966 142 6PX 0.01140 -0.01863 -0.01116 0.00050 0.00161 143 6PY -0.01288 0.03517 0.02027 -0.01359 -0.00615 144 6PZ 0.05589 0.01378 -0.00835 0.02388 -0.01411 145 7D 0 0.01283 0.01408 0.00294 0.00935 -0.00518 146 7D+1 0.02904 0.03787 -0.00274 -0.02038 0.00347 147 7D-1 0.03520 -0.00236 -0.01419 -0.00590 0.00457 148 7D+2 -0.00045 -0.01168 0.03787 -0.02992 0.00089 149 7D-2 -0.01320 -0.00113 -0.03448 -0.02771 0.00182 150 8D 0 0.00243 0.00432 0.00114 0.00200 -0.00169 151 8D+1 0.00520 0.01013 0.00053 -0.00374 -0.00061 152 8D-1 0.00864 -0.00358 -0.00415 -0.00043 0.00054 153 8D+2 -0.00029 -0.00125 0.00713 -0.00644 0.00028 154 8D-2 -0.00134 -0.00062 -0.00833 -0.00750 0.00052 155 8 Cu 1S 0.00458 0.00187 -0.00261 -0.00459 0.00046 156 2S 0.03716 0.00936 -0.01696 -0.03755 0.00399 157 3S 0.06165 -0.00078 -0.04694 -0.06191 0.00946 158 4PX 0.00180 0.00078 -0.00206 -0.00179 0.00042 159 4PY 0.00002 0.00152 0.00075 -0.00187 0.00069 160 4PZ -0.00192 -0.00158 0.00129 -0.00003 0.00127 161 5PX 0.00769 -0.00287 0.00214 -0.00813 -0.00050 162 5PY 0.00340 0.00411 -0.01323 0.00060 -0.00262 163 5PZ -0.00008 -0.00289 -0.00090 0.00359 -0.00583 164 6PX 0.00316 0.01739 -0.00134 -0.00201 0.00055 165 6PY 0.01707 -0.01914 -0.01059 0.01062 0.00082 166 6PZ 0.01181 0.01744 0.00933 0.01711 -0.00210 167 7D 0 -0.00629 -0.00266 -0.00214 -0.00011 0.00091 168 7D+1 -0.00424 -0.00547 0.00262 0.00755 -0.00379 169 7D-1 -0.00330 -0.00332 0.00876 0.00308 -0.00257 170 7D+2 0.00333 0.00507 -0.00023 -0.00695 -0.00089 171 7D-2 0.00757 0.00561 -0.00650 -0.00393 -0.00121 172 8D 0 -0.00273 -0.00114 -0.00072 0.00062 0.00047 173 8D+1 -0.00232 -0.00373 0.00069 0.00410 -0.00144 174 8D-1 -0.00183 -0.00032 0.00402 0.00173 -0.00109 175 8D+2 0.00224 0.00224 0.00052 -0.00346 -0.00032 176 8D-2 0.00406 0.00387 -0.00234 -0.00222 -0.00050 177 9 C 1S 0.00349 -0.00474 0.00022 -0.00380 -0.00002 178 2S -0.00602 0.01580 0.00271 0.00651 -0.00043 179 3S -0.02898 -0.02599 -0.03891 0.03246 0.00749 180 4PX -0.00336 -0.02581 0.00156 0.00288 -0.00111 181 4PY -0.00240 0.00616 -0.00143 0.00856 -0.00232 182 4PZ 0.00785 -0.00415 -0.00483 -0.00183 -0.00241 183 5PX -0.00610 0.02015 0.01316 0.00592 -0.00227 184 5PY -0.01021 -0.01120 -0.01192 0.00131 -0.00071 185 5PZ -0.00004 0.01047 0.00321 -0.01024 -0.00347 186 10 O 1S -0.00103 0.00086 0.00008 0.00109 -0.00007 187 2S 0.00261 -0.00231 -0.00040 -0.00269 0.00014 188 3S 0.00739 -0.00237 0.00162 -0.00804 -0.00026 189 4PX 0.00129 0.02098 -0.00180 -0.00082 0.00115 190 4PY 0.00219 -0.00075 0.00094 -0.00813 0.00121 191 4PZ -0.00764 -0.00062 0.00326 0.00147 0.00170 192 5PX 0.00328 0.00475 -0.00521 -0.00295 0.00130 193 5PY 0.00304 0.00135 0.00499 -0.00345 0.00097 194 5PZ -0.00274 -0.00188 0.00035 0.00284 0.00218 41 42 43 44 45 41 8D+1 0.15997 42 8D-1 0.00035 0.15715 43 8D+2 -0.00058 -0.00144 0.16054 44 8D-2 -0.00101 -0.00030 -0.00014 0.16003 45 3 Cu 1S 0.00111 -0.00043 -0.00115 -0.00110 2.01148 46 2S 0.00790 -0.01412 -0.00925 -0.00816 0.01776 47 3S 0.05739 -0.04085 -0.00869 -0.06063 0.00952 48 4PX -0.00172 0.00277 0.00224 0.00190 -0.00202 49 4PY 0.00297 0.00087 0.00479 0.00149 0.00403 50 4PZ 0.00202 -0.00133 -0.00095 0.00296 -0.00380 51 5PX 0.02229 -0.01559 0.00482 -0.02415 0.00154 52 5PY -0.01599 0.00175 -0.01705 0.01214 -0.00304 53 5PZ 0.00919 0.00001 0.00293 -0.01558 0.00286 54 6PX 0.00287 0.00576 0.00843 -0.00347 0.00030 55 6PY -0.00738 0.00431 0.01915 0.00050 -0.00063 56 6PZ 0.00076 -0.00535 -0.00364 -0.00728 0.00061 57 7D 0 0.00837 -0.00280 0.00032 0.00435 -0.00016 58 7D+1 -0.00127 -0.00014 -0.00150 0.00265 -0.00044 59 7D-1 -0.00098 -0.00107 0.00562 -0.00001 0.00088 60 7D+2 0.00075 0.00399 0.00538 0.00671 0.00035 61 7D-2 0.00249 -0.00037 0.00394 -0.00208 0.00046 62 8D 0 0.00198 -0.00016 0.00050 0.00101 -0.00004 63 8D+1 -0.00110 0.00054 -0.00074 -0.00048 -0.00010 64 8D-1 -0.00034 0.00015 0.00072 0.00021 0.00020 65 8D+2 0.00009 0.00012 0.00001 0.00162 0.00008 66 8D-2 -0.00055 -0.00043 -0.00036 -0.00114 0.00010 67 4 Cu 1S -0.00027 0.00070 -0.00084 -0.00090 -0.00214 68 2S -0.01860 0.00916 0.00008 -0.00839 -0.00617 69 3S -0.09825 0.02642 0.06364 -0.04003 -0.00411 70 4PX 0.00536 -0.00213 -0.00092 0.00045 -0.00044 71 4PY -0.00066 -0.00309 0.00344 0.00299 -0.00047 72 4PZ -0.00227 -0.00041 0.00342 -0.00089 0.00433 73 5PX -0.03277 0.01380 0.02469 -0.01330 -0.00087 74 5PY 0.00611 0.00065 -0.01964 0.00247 0.00060 75 5PZ 0.02857 -0.00067 -0.01194 0.00971 0.00273 76 6PX -0.00016 -0.00533 -0.00399 -0.00423 0.00099 77 6PY 0.00826 -0.00273 -0.00931 0.01883 -0.00196 78 6PZ -0.00358 -0.01141 -0.00939 -0.00222 0.00187 79 7D 0 -0.00364 -0.00129 -0.00563 0.00180 -0.00181 80 7D+1 -0.00803 0.00139 0.00496 -0.00337 0.00363 81 7D-1 0.00201 -0.00330 -0.00681 -0.00757 -0.00440 82 7D+2 0.00363 -0.00633 -0.00272 0.00398 -0.00047 83 7D-2 -0.00552 -0.00918 0.00220 0.00334 0.00100 84 8D 0 -0.00057 -0.00115 -0.00102 0.00021 -0.00010 85 8D+1 -0.00189 0.00043 0.00112 -0.00014 0.00119 86 8D-1 0.00012 -0.00210 -0.00129 -0.00152 -0.00166 87 8D+2 0.00040 -0.00159 -0.00144 0.00089 -0.00018 88 8D-2 -0.00085 -0.00218 -0.00097 -0.00025 0.00034 89 5 Cu 1S 0.00069 0.00048 0.00052 -0.00072 0.00075 90 2S 0.00078 -0.01941 -0.00121 -0.00130 -0.00049 91 3S -0.01657 -0.08115 -0.03791 0.01728 0.00478 92 4PX -0.00167 0.00310 0.00044 0.00178 -0.00047 93 4PY 0.00038 0.00513 -0.00030 -0.00106 0.00093 94 4PZ -0.00115 -0.00480 -0.00225 0.00032 -0.00088 95 5PX 0.00261 -0.01313 0.00567 -0.00305 -0.00038 96 5PY 0.00270 -0.04574 -0.02766 0.01177 0.00076 97 5PZ 0.01154 0.04439 0.01932 0.00284 -0.00071 98 6PX 0.00335 -0.00196 0.00790 -0.00437 0.00021 99 6PY 0.00001 0.00163 -0.00024 -0.00875 -0.00045 100 6PZ -0.00876 -0.00182 0.00808 -0.00050 0.00035 101 7D 0 -0.00020 -0.00046 0.00560 -0.00423 -0.00060 102 7D+1 0.00038 -0.00190 -0.00475 -0.00758 -0.00181 103 7D-1 -0.00543 -0.00414 -0.00072 0.00597 0.00360 104 7D+2 -0.00532 0.00002 -0.00108 0.00283 0.00141 105 7D-2 -0.00767 0.00224 0.00202 0.00097 0.00191 106 8D 0 -0.00058 -0.00020 0.00096 -0.00080 -0.00017 107 8D+1 -0.00084 0.00027 -0.00066 -0.00118 -0.00052 108 8D-1 -0.00112 -0.00018 0.00010 0.00128 0.00103 109 8D+2 -0.00073 0.00027 -0.00075 -0.00008 0.00040 110 8D-2 -0.00122 -0.00021 0.00026 -0.00070 0.00055 111 6 Cu 1S 0.00011 0.00140 -0.00037 -0.00163 0.00095 112 2S -0.00649 0.01480 -0.00469 -0.01695 -0.00055 113 3S -0.00704 0.04665 -0.05787 -0.04739 -0.00202 114 4PX 0.00190 0.00079 -0.00264 0.00595 -0.00158 115 4PY 0.00045 -0.00276 0.00160 0.00145 0.00237 116 4PZ -0.00071 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0.00000 0.00000 183 5PX 0.00009 0.00000 0.00000 0.00000 0.02957 184 5PY 0.00001 0.00000 0.00000 0.00000 0.00000 185 5PZ -0.00010 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 -0.00035 0.00251 -0.00061 187 2S 0.00000 -0.00027 0.00234 -0.03183 0.00789 188 3S 0.00000 0.00135 -0.03744 -0.06223 -0.00131 189 4PX 0.00000 -0.00064 0.00920 0.00001 0.03662 190 4PY 0.00000 -0.00259 0.03749 -0.00005 0.02842 191 4PZ 0.00000 -0.00215 0.03114 0.00012 0.02360 192 5PX 0.00000 -0.00031 0.00301 0.00001 0.04489 193 5PY 0.00000 -0.00128 0.01227 -0.00004 0.00787 194 5PZ 0.00000 -0.00106 0.01019 0.00017 0.00654 181 182 183 184 185 181 4PY 0.51722 182 4PZ 0.00000 0.48928 183 5PX 0.00000 0.00000 0.01764 184 5PY 0.01668 0.00000 0.00000 0.02085 185 5PZ 0.00000 0.01950 0.00000 0.00000 0.02010 186 10 O 1S -0.00249 -0.00207 0.00006 0.00024 0.00020 187 2S 0.03214 0.02670 -0.00007 -0.00029 -0.00023 188 3S -0.00535 -0.00444 0.00147 0.00596 0.00500 189 4PX 0.02842 0.02360 0.00998 -0.00008 -0.00006 190 4PY 0.00264 0.09618 -0.00008 0.00619 -0.00026 191 4PZ 0.09617 -0.00121 -0.00007 -0.00027 0.00712 192 5PX 0.00788 0.00654 0.00978 0.00022 0.00018 193 5PY 0.00585 0.02663 0.00022 0.00567 0.00075 194 5PZ 0.02664 0.01142 0.00018 0.00073 0.00657 186 187 188 189 190 186 10 O 1S 2.11860 187 2S -0.07072 0.60433 188 3S -0.04556 0.41413 0.54193 189 4PX 0.00000 0.00000 0.00000 0.84179 190 4PY 0.00000 0.00000 0.00000 0.00000 0.84755 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.15730 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.12567 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 191 4PZ 0.84632 192 5PX 0.00000 0.12230 193 5PY 0.00000 0.00000 0.08804 194 5PZ 0.13273 0.00000 0.00000 0.09563 Gross orbital populations: 1 1 1 Cu 1S 2.00549 2 2S 0.71744 3 3S 0.40380 4 4PX 1.99461 5 4PY 1.99440 6 4PZ 1.99452 7 5PX 0.06280 8 5PY 0.05778 9 5PZ 0.06496 10 6PX 0.01158 11 6PY -0.00311 12 6PZ 0.01527 13 7D 0 1.63589 14 7D+1 1.65174 15 7D-1 1.65821 16 7D+2 1.64314 17 7D-2 1.65414 18 8D 0 0.32577 19 8D+1 0.32479 20 8D-1 0.32285 21 8D+2 0.32425 22 8D-2 0.32296 23 2 Cu 1S 2.00381 24 2S 0.61625 25 3S -0.16066 26 4PX 1.99456 27 4PY 1.99493 28 4PZ 1.99493 29 5PX 0.14971 30 5PY 0.18888 31 5PZ 0.18754 32 6PX 0.01691 33 6PY 0.01018 34 6PZ 0.01019 35 7D 0 1.65263 36 7D+1 1.64282 37 7D-1 1.63145 38 7D+2 1.65295 39 7D-2 1.64415 40 8D 0 0.31618 41 8D+1 0.31896 42 8D-1 0.31938 43 8D+2 0.31564 44 8D-2 0.31866 45 3 Cu 1S 2.00554 46 2S 0.75603 47 3S 0.33801 48 4PX 1.99477 49 4PY 1.99458 50 4PZ 1.99460 51 5PX 0.04890 52 5PY 0.05604 53 5PZ 0.05491 54 6PX 0.00221 55 6PY 0.02765 56 6PZ 0.02395 57 7D 0 1.63433 58 7D+1 1.65536 59 7D-1 1.65209 60 7D+2 1.63892 61 7D-2 1.65364 62 8D 0 0.32453 63 8D+1 0.32234 64 8D-1 0.32358 65 8D+2 0.32404 66 8D-2 0.32258 67 4 Cu 1S 2.00381 68 2S 0.61627 69 3S -0.16092 70 4PX 1.99481 71 4PY 1.99465 72 4PZ 1.99496 73 5PX 0.17254 74 5PY 0.14870 75 5PZ 0.20510 76 6PX 0.01315 77 6PY 0.00201 78 6PZ 0.02184 79 7D 0 1.65582 80 7D+1 1.63685 81 7D-1 1.64000 82 7D+2 1.65225 83 7D-2 1.63902 84 8D 0 0.31524 85 8D+1 0.32015 86 8D-1 0.31942 87 8D+2 0.31585 88 8D-2 0.31812 89 5 Cu 1S 1.99711 90 2S 0.59978 91 3S -0.31609 92 4PX 1.99534 93 4PY 1.99558 94 4PZ 1.99553 95 5PX 0.29678 96 5PY 0.32662 97 5PZ 0.32024 98 6PX -0.04386 99 6PY 0.00703 100 6PZ -0.00224 101 7D 0 1.61602 102 7D+1 1.64105 103 7D-1 1.64347 104 7D+2 1.63214 105 7D-2 1.63726 106 8D 0 0.31019 107 8D+1 0.30541 108 8D-1 0.30025 109 8D+2 0.30691 110 8D-2 0.30582 111 6 Cu 1S 2.00549 112 2S 0.71713 113 3S 0.40434 114 4PX 1.99463 115 4PY 1.99452 116 4PZ 1.99437 117 5PX 0.06203 118 5PY 0.06458 119 5PZ 0.05934 120 6PX 0.00928 121 6PY 0.01362 122 6PZ 0.00078 123 7D 0 1.63956 124 7D+1 1.65521 125 7D-1 1.65823 126 7D+2 1.63878 127 7D-2 1.65143 128 8D 0 0.32430 129 8D+1 0.32294 130 8D-1 0.32307 131 8D+2 0.32568 132 8D-2 0.32471 133 7 Cu 1S 2.00381 134 2S 0.61583 135 3S -0.16089 136 4PX 1.99477 137 4PY 1.99501 138 4PZ 1.99463 139 5PX 0.16754 140 5PY 0.21086 141 5PZ 0.14715 142 6PX 0.01247 143 6PY 0.02228 144 6PZ 0.00216 145 7D 0 1.65539 146 7D+1 1.63900 147 7D-1 1.63879 148 7D+2 1.65348 149 7D-2 1.63752 150 8D 0 0.31475 151 8D+1 0.31825 152 8D-1 0.31953 153 8D+2 0.31642 154 8D-2 0.31991 155 8 Cu 1S 2.00549 156 2S 0.71726 157 3S 0.40405 158 4PX 1.99418 159 4PY 1.99467 160 4PZ 1.99467 161 5PX 0.06811 162 5PY 0.05864 163 5PZ 0.05894 164 6PX 0.02725 165 6PY -0.00222 166 6PZ -0.00128 167 7D 0 1.63804 168 7D+1 1.65500 169 7D-1 1.66006 170 7D+2 1.63554 171 7D-2 1.65453 172 8D 0 0.32521 173 8D+1 0.32387 174 8D-1 0.32267 175 8D+2 0.32496 176 8D-2 0.32392 177 9 C 1S 1.99857 178 2S 0.89023 179 3S 0.67648 180 4PX 0.59997 181 4PY 0.75204 182 4PZ 0.71828 183 5PX 0.08881 184 5PY 0.06921 185 5PZ 0.07373 186 10 O 1S 1.99922 187 2S 0.99041 188 3S 0.83844 189 4PX 1.10550 190 4PY 1.13764 191 4PZ 1.13052 192 5PX 0.34901 193 5PY 0.26785 194 5PZ 0.28587 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.126169 -0.108071 0.080977 -0.108218 -0.028698 0.088907 2 Cu -0.108071 19.344899 -0.092510 -0.016462 -0.230838 -0.107534 3 Cu 0.080977 -0.092510 19.071626 -0.092728 0.115554 0.081431 4 Cu -0.108218 -0.016462 -0.092728 19.345900 -0.232255 0.037414 5 Cu -0.028698 -0.230838 0.115554 -0.232255 19.345241 -0.028903 6 Cu 0.088907 -0.107534 0.081431 0.037414 -0.028903 19.126892 7 Cu 0.039096 -0.018099 -0.093277 -0.017323 -0.228204 -0.108002 8 Cu 0.088619 0.038360 0.081246 -0.107432 -0.028674 0.089017 9 C 0.012782 0.011568 -0.003764 0.011845 0.144950 0.013554 10 O -0.008269 -0.001253 0.000039 -0.001096 0.042155 -0.008733 7 8 9 10 1 Cu 0.039096 0.088619 0.012782 -0.008269 2 Cu -0.018099 0.038360 0.011568 -0.001253 3 Cu -0.093277 0.081246 -0.003764 0.000039 4 Cu -0.017323 -0.107432 0.011845 -0.001096 5 Cu -0.228204 -0.028674 0.144950 0.042155 6 Cu -0.108002 0.089017 0.013554 -0.008733 7 Cu 19.342628 -0.108085 0.011266 -0.001332 8 Cu -0.108085 19.125901 0.013122 -0.008493 9 C 0.011266 0.013122 5.094167 0.557836 10 O -0.001332 -0.008493 0.557836 7.533602 Mulliken atomic charges: 1 1 Cu -0.183294 2 Cu 0.179939 3 Cu -0.148596 4 Cu 0.180355 5 Cu 0.129674 6 Cu -0.184043 7 Cu 0.181331 8 Cu -0.183583 9 C 0.132674 10 O -0.104457 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.183294 2 Cu 0.179939 3 Cu -0.148596 4 Cu 0.180355 5 Cu 0.129674 6 Cu -0.184043 7 Cu 0.181331 8 Cu -0.183583 9 C 0.132674 10 O -0.104457 Sum of Mulliken charges= 0.00000 Electronic spatial extent (au): = 3730.1197 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.1794 Y= -0.3498 Z= 0.3415 Tot= 0.5207 Quadrupole moment (field-independent basis, Debye-Ang): XX= -112.7607 YY= -115.1117 ZZ= -115.0347 XY= 1.7618 XZ= -1.6974 YZ= 3.2465 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.5416 YY= -0.8093 ZZ= -0.7323 XY= 1.7618 XZ= -1.6974 YZ= 3.2465 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -10.1217 YYY= 217.4142 ZZZ= -19.5397 XYY= -7.1386 XXY= 66.7232 XXZ= -2.2696 XZZ= -3.7235 YZZ= 79.5456 YYZ= -19.7753 XYZ= 14.3771 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1199.7752 YYYY= -1917.6526 ZZZZ= -1568.4830 XXXY= 157.6423 XXXZ= -141.1941 YYYX= 154.2794 YYYZ= 321.7328 ZZZX= -131.7905 ZZZY= 298.0838 XXYY= -500.4429 XXZZ= -446.5789 YYZZ= -594.0121 XXYZ= 97.5365 YYXZ= -81.2865 ZZXY= 68.1669 N-N= 2.114413887660D+03 E-N=-8.339100913632D+03 KE= 1.132176755330D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.27113 29.12426 2 O -10.35234 15.96894 3 O -4.34296 2.68614 4 O -4.30027 2.68357 5 O -4.30003 2.68881 6 O -4.29996 2.68871 7 O -4.28383 2.68765 8 O -4.28375 2.68764 9 O -4.28373 2.68764 10 O -4.27250 2.68790 11 O -2.85373 5.08049 12 O -2.84687 5.08657 13 O -2.84686 5.08663 14 O -2.80873 5.06574 15 O -2.80816 5.07553 16 O -2.80812 5.07562 17 O -2.80717 5.09504 18 O -2.80698 5.09461 19 O -2.80694 5.09473 20 O -2.80662 5.08066 21 O -2.80630 5.08938 22 O -2.80624 5.08907 23 O -2.79302 5.08590 24 O -2.79293 5.08591 25 O -2.79290 5.08583 26 O -2.79024 5.08835 27 O -2.79018 5.08934 28 O -2.79016 5.08834 29 O -2.79013 5.08927 30 O -2.79009 5.08977 31 O -2.79008 5.08983 32 O -2.78188 5.08612 33 O -2.77851 5.08973 34 O -2.77850 5.08973 35 O -1.18805 2.85779 36 O -0.58678 2.51745 37 O -0.48336 2.02809 38 O -0.48335 2.02798 39 O -0.47414 2.37084 40 O -0.35861 1.75912 41 O -0.33654 7.85913 42 O -0.33638 7.86214 43 O -0.32444 8.80195 44 O -0.32440 7.06092 45 O -0.32434 8.79518 46 O -0.32136 7.65907 47 O -0.30931 7.84806 48 O -0.30755 8.35542 49 O -0.30752 8.35554 50 O -0.29898 8.70210 51 O -0.29896 8.70159 52 O -0.29359 8.51131 53 O -0.29066 8.92663 54 O -0.28589 8.75512 55 O -0.28585 8.74664 56 O -0.28483 8.73823 57 O -0.28480 8.73718 58 O -0.27430 9.14545 59 O -0.27425 9.14734 60 O -0.26745 9.15979 61 O -0.26524 9.11789 62 O -0.26522 9.11728 63 O -0.26392 8.89771 64 O -0.26257 9.14461 65 O -0.26250 9.14328 66 O -0.26127 8.72713 67 O -0.25855 9.28239 68 O -0.25852 9.28118 69 O -0.25776 9.43507 70 O -0.25770 9.43501 71 O -0.25688 9.65108 72 O -0.25263 9.42255 73 O -0.25261 9.42131 74 O -0.25257 9.33122 75 O -0.24845 9.40388 76 O -0.24843 9.40394 77 O -0.24811 9.23069 78 O -0.24647 9.73746 79 O -0.24332 9.53285 80 O -0.24330 9.53315 81 O -0.20308 2.65240 82 O -0.20297 2.64923 83 O -0.18687 2.44358 84 V -0.08614 1.93998 85 V -0.08610 1.94018 86 V -0.07930 0.87688 87 V -0.07071 0.95199 88 V -0.07069 0.95097 89 V -0.04241 1.06578 90 V -0.03087 0.89568 91 V -0.03083 0.89840 92 V -0.00557 0.62326 93 V -0.00549 0.62236 94 V -0.00479 0.47267 95 V 0.01920 0.34199 96 V 0.02283 0.44299 97 V 0.02815 0.44384 98 V 0.02821 0.44235 99 V 0.03040 0.49100 100 V 0.03891 0.43894 101 V 0.04221 0.40167 102 V 0.04223 0.40131 103 V 0.04466 0.35615 104 V 0.04467 0.35636 105 V 0.04948 0.37694 106 V 0.04953 0.37824 107 V 0.06115 0.47128 108 V 0.06816 0.48789 109 V 0.07001 0.47594 110 V 0.07011 0.47483 111 V 0.08091 0.28950 112 V 0.08093 0.28921 113 V 0.08225 0.37722 114 V 0.08551 0.23684 115 V 0.08571 0.22767 116 V 0.08575 0.22732 117 V 0.10498 0.58472 118 V 0.10509 0.58658 119 V 0.10587 0.51849 120 V 0.10814 0.84772 121 V 0.11874 0.31672 122 V 0.11898 0.31764 123 V 0.15526 0.89607 124 V 0.15538 0.89651 125 V 0.19956 1.24170 126 V 0.21416 0.98710 127 V 0.22814 1.45948 128 V 0.22851 1.45966 129 V 0.24398 1.23378 130 V 0.24922 1.29376 131 V 0.24943 1.29754 132 V 0.25849 1.32655 133 V 0.28909 1.23628 134 V 0.28937 1.23106 135 V 0.30405 1.71788 136 V 0.32175 1.51330 137 V 0.32185 1.52032 138 V 0.34635 1.80838 139 V 0.39753 1.42876 140 V 0.39839 1.42751 141 V 0.53540 2.72321 142 V 0.64052 3.57813 143 V 0.65949 3.96184 144 V 0.66001 3.95254 145 V 0.67440 4.22445 146 V 0.67486 4.21377 147 V 0.67907 3.52209 148 V 0.69858 4.06314 149 V 0.70905 3.83645 150 V 0.70984 3.81924 151 V 0.74974 3.70165 152 V 0.75092 3.72251 153 V 0.79127 4.63689 154 V 0.79656 4.18877 155 V 0.79673 4.16648 156 V 0.83485 3.32091 157 V 0.86012 4.30731 158 V 0.86030 4.30711 159 V 0.86443 4.42784 160 V 0.86946 4.32978 161 V 0.87051 4.33593 162 V 0.88293 4.55812 163 V 0.88356 4.55528 164 V 0.89051 4.03315 165 V 0.93513 3.94981 166 V 0.99768 4.00246 167 V 1.05843 4.52533 168 V 1.05891 4.52328 169 V 1.06043 4.56859 170 V 1.06052 4.57120 171 V 1.08722 4.44296 172 V 1.17083 4.15028 173 V 1.17866 4.26558 174 V 1.17956 4.26643 175 V 1.23181 4.66380 176 V 1.23370 4.66607 177 V 1.28193 4.66793 178 V 1.31044 4.62614 179 V 1.31055 4.62707 180 V 1.31674 4.68144 181 V 1.31704 4.68125 182 V 1.32145 4.63540 183 V 1.33051 4.66540 184 V 1.33083 4.66567 185 V 1.35495 4.82053 186 V 1.52536 2.35004 187 V 1.64114 3.76587 188 V 1.84269 1.96669 189 V 1.84280 1.96607 190 V 2.02085 1.86725 191 V 2.30651 1.37279 192 V 2.31141 1.37709 193 V 3.66680 1.42303 194 V 11.93074 3.23283 Total kinetic energy from orbitals= 1.132176755330D+03 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:23:32 2008, MaxMem= 1258291200 cpu: 2.8 (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 CO05\\0,1\Cu,1.3278500554,0.7938233199,1.5186273173\Cu,1.0606139914,0. 3546016416,-0.9058606193\Cu,-0.9993623507,1.4206222332,-1.8715676819\C u,-0.9460414413,0.7098438532,0.5356820876\Cu,0.466875564,-1.4913285913 ,0.8855118332\Cu,1.2487602613,-2.0564658771,-1.4490118799\Cu,-0.995291 6017,-1.0169931101,-1.2671093172\Cu,-2.0573353883,-1.4720455592,0.9262 527371\C,1.1273342905,-2.8116674567,2.1107000932\O,1.5295473092,-3.623 5344331,2.8507218208\\Version=IA64L-G03RevE.01\HF=-1682.7503286\RMSD=8 .731e-09\RMSF=6.506e-05\Thermal=0.\Dipole=0.0705751,-0.1376066,0.13434 37\PG=C01 [X(C1Cu8O1)]\\@ "MATHEMATICS IS THE ART OF GIVING THE SAME NAME TO DIFFERENT THINGS." - H. POINCARE Leave Link 9999 at Fri Apr 11 14:23:33 2008, MaxMem= 1258291200 cpu: 0.2 Job cpu time: 0 days 0 hours 1 minutes 38.2 seconds. File lengths (MBytes): RWF= 29 Int= 0 D2E= 0 Chk= 16 Scr= 1 Normal termination of Gaussian 03 at Fri Apr 11 14:23:33 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 14:23:33 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l101.exe) ------- Cu8CO05 ------- Redundant internal coordinates taken from checkpoint file: Cu8CO05.chk Charge = 0 Multiplicity = 1 Cu,0,1.3278500554,0.7938233199,1.5186273173 Cu,0,1.0606139914,0.3546016416,-0.9058606193 Cu,0,-0.9993623507,1.4206222332,-1.8715676819 Cu,0,-0.9460414413,0.7098438532,0.5356820876 Cu,0,0.466875564,-1.4913285913,0.8855118332 Cu,0,1.2487602613,-2.0564658771,-1.4490118799 Cu,0,-0.9952916017,-1.0169931101,-1.2671093172 Cu,0,-2.0573353883,-1.4720455592,0.9262527371 C,0,1.1273342905,-2.8116674567,2.1107000932 O,0,1.5295473092,-3.6235344331,2.8507218208 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 14:23:34 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 2.4784 calculate D2E/DX2 analytically ! ! R2 R(1,4) 2.4787 calculate D2E/DX2 analytically ! ! R3 R(1,5) 2.5227 calculate D2E/DX2 analytically ! ! R4 R(2,3) 2.5125 calculate D2E/DX2 analytically ! ! R5 R(2,4) 2.4962 calculate D2E/DX2 analytically ! ! R6 R(2,6) 2.4786 calculate D2E/DX2 analytically ! ! R7 R(2,7) 2.4977 calculate D2E/DX2 analytically ! ! R8 R(3,4) 2.5106 calculate D2E/DX2 analytically ! ! R9 R(3,7) 2.5114 calculate D2E/DX2 analytically ! ! R10 R(4,7) 2.4969 calculate D2E/DX2 analytically ! ! R11 R(4,8) 2.4795 calculate D2E/DX2 analytically ! ! R12 R(5,6) 2.526 calculate D2E/DX2 analytically ! ! R13 R(5,7) 2.6451 calculate D2E/DX2 analytically ! ! R14 R(5,8) 2.5246 calculate D2E/DX2 analytically ! ! R15 R(5,9) 1.9185 calculate D2E/DX2 analytically ! ! R16 R(6,7) 2.4798 calculate D2E/DX2 analytically ! ! R17 R(7,8) 2.4791 calculate D2E/DX2 analytically ! ! R18 R(9,10) 1.1698 calculate D2E/DX2 analytically ! ! A1 A(2,1,5) 63.7148 calculate D2E/DX2 analytically ! ! A2 A(4,1,5) 63.6848 calculate D2E/DX2 analytically ! ! A3 A(1,2,3) 112.9059 calculate D2E/DX2 analytically ! ! A4 A(1,2,6) 112.2451 calculate D2E/DX2 analytically ! ! A5 A(1,2,7) 109.1207 calculate D2E/DX2 analytically ! ! A6 A(3,2,6) 113.0002 calculate D2E/DX2 analytically ! ! A7 A(4,2,6) 109.0265 calculate D2E/DX2 analytically ! ! A8 A(1,4,3) 112.9629 calculate D2E/DX2 analytically ! ! A9 A(1,4,7) 109.1383 calculate D2E/DX2 analytically ! ! A10 A(1,4,8) 112.2411 calculate D2E/DX2 analytically ! ! A11 A(2,4,8) 109.0278 calculate D2E/DX2 analytically ! ! A12 A(3,4,8) 112.9946 calculate D2E/DX2 analytically ! ! A13 A(1,5,6) 109.2058 calculate D2E/DX2 analytically ! ! A14 A(1,5,7) 103.324 calculate D2E/DX2 analytically ! ! A15 A(1,5,8) 109.285 calculate D2E/DX2 analytically ! ! A16 A(1,5,9) 110.2213 calculate D2E/DX2 analytically ! ! A17 A(6,5,8) 109.0327 calculate D2E/DX2 analytically ! ! A18 A(6,5,9) 109.2492 calculate D2E/DX2 analytically ! ! A19 A(7,5,9) 146.4526 calculate D2E/DX2 analytically ! ! A20 A(8,5,9) 109.8255 calculate D2E/DX2 analytically ! ! A21 A(2,6,5) 63.6633 calculate D2E/DX2 analytically ! ! A22 A(2,7,5) 61.6908 calculate D2E/DX2 analytically ! ! A23 A(2,7,8) 108.9935 calculate D2E/DX2 analytically ! ! A24 A(3,7,5) 111.766 calculate D2E/DX2 analytically ! ! A25 A(3,7,6) 112.996 calculate D2E/DX2 analytically ! ! A26 A(3,7,8) 112.9799 calculate D2E/DX2 analytically ! ! A27 A(4,7,5) 61.6756 calculate D2E/DX2 analytically ! ! A28 A(4,7,6) 108.9665 calculate D2E/DX2 analytically ! ! A29 A(6,7,8) 112.0635 calculate D2E/DX2 analytically ! ! A30 A(4,8,5) 63.6449 calculate D2E/DX2 analytically ! ! A31 A(5,9,10) 179.5204 calculate D2E/DX2 analytically ! ! D1 D(5,1,2,3) 102.6176 calculate D2E/DX2 analytically ! ! D2 D(5,1,2,6) -26.5148 calculate D2E/DX2 analytically ! ! D3 D(5,1,2,7) 37.7748 calculate D2E/DX2 analytically ! ! D4 D(5,1,4,3) -102.705 calculate D2E/DX2 analytically ! ! D5 D(5,1,4,7) -37.8064 calculate D2E/DX2 analytically ! ! D6 D(5,1,4,8) 26.4659 calculate D2E/DX2 analytically ! ! D7 D(2,1,5,6) 25.4263 calculate D2E/DX2 analytically ! ! D8 D(2,1,5,7) -34.1683 calculate D2E/DX2 analytically ! ! D9 D(2,1,5,8) -93.7661 calculate D2E/DX2 analytically ! ! D10 D(2,1,5,9) 145.4497 calculate D2E/DX2 analytically ! ! D11 D(4,1,5,6) 93.7737 calculate D2E/DX2 analytically ! ! D12 D(4,1,5,7) 34.1791 calculate D2E/DX2 analytically ! ! D13 D(4,1,5,8) -25.4187 calculate D2E/DX2 analytically ! ! D14 D(4,1,5,9) -146.2029 calculate D2E/DX2 analytically ! ! D15 D(6,2,4,8) 0.0075 calculate D2E/DX2 analytically ! ! D16 D(1,2,6,5) 26.4901 calculate D2E/DX2 analytically ! ! D17 D(3,2,6,5) -102.5932 calculate D2E/DX2 analytically ! ! D18 D(4,2,6,5) -37.7657 calculate D2E/DX2 analytically ! ! D19 D(1,2,7,5) -36.5097 calculate D2E/DX2 analytically ! ! D20 D(1,2,7,8) -0.1576 calculate D2E/DX2 analytically ! ! D21 D(1,4,7,5) 36.5349 calculate D2E/DX2 analytically ! ! D22 D(1,4,7,6) 0.1172 calculate D2E/DX2 analytically ! ! D23 D(1,4,8,5) -26.4542 calculate D2E/DX2 analytically ! ! D24 D(2,4,8,5) 37.7895 calculate D2E/DX2 analytically ! ! D25 D(3,4,8,5) 102.7002 calculate D2E/DX2 analytically ! ! D26 D(1,5,6,2) -25.4358 calculate D2E/DX2 analytically ! ! D27 D(8,5,6,2) 93.913 calculate D2E/DX2 analytically ! ! D28 D(9,5,6,2) -146.0555 calculate D2E/DX2 analytically ! ! D29 D(1,5,7,2) 34.5789 calculate D2E/DX2 analytically ! ! D30 D(1,5,7,3) -0.0603 calculate D2E/DX2 analytically ! ! D31 D(1,5,7,4) -34.6025 calculate D2E/DX2 analytically ! ! D32 D(9,5,7,2) -144.7726 calculate D2E/DX2 analytically ! ! D33 D(9,5,7,3) -179.4117 calculate D2E/DX2 analytically ! ! D34 D(9,5,7,4) 146.0461 calculate D2E/DX2 analytically ! ! D35 D(1,5,8,4) 25.4184 calculate D2E/DX2 analytically ! ! D36 D(6,5,8,4) -93.8811 calculate D2E/DX2 analytically ! ! D37 D(9,5,8,4) 146.4436 calculate D2E/DX2 analytically ! ! D38 D(1,5,9,10) -151.6458 calculate D2E/DX2 analytically ! ! D39 D(6,5,9,10) -31.6487 calculate D2E/DX2 analytically ! ! D40 D(7,5,9,10) 27.6816 calculate D2E/DX2 analytically ! ! D41 D(8,5,9,10) 87.8943 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 14:23:34 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 14:23:34 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 1.327850 0.793823 1.518627 2 29 0 1.060614 0.354602 -0.905861 3 29 0 -0.999362 1.420622 -1.871568 4 29 0 -0.946041 0.709844 0.535682 5 29 0 0.466876 -1.491329 0.885512 6 29 0 1.248760 -2.056466 -1.449012 7 29 0 -0.995292 -1.016993 -1.267109 8 29 0 -2.057335 -1.472046 0.926253 9 6 0 1.127334 -2.811667 2.110700 10 8 0 1.529547 -3.623534 2.850722 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.478401 0.000000 3 Cu 4.159593 2.512467 0.000000 4 Cu 2.478672 2.496179 2.510558 0.000000 5 Cu 2.522703 2.639886 4.269754 2.638916 0.000000 6 Cu 4.115493 2.478641 4.162061 4.050757 2.526010 7 Cu 4.054180 2.497703 2.511445 2.496888 2.645129 8 Cu 4.116376 4.051529 4.161086 2.479549 2.524613 9 C 3.659279 4.373711 6.188180 4.379567 1.918486 10 O 4.618247 5.491573 7.357915 5.501465 3.088304 6 7 8 9 10 6 Cu 0.000000 7 Cu 2.479791 0.000000 8 Cu 4.112627 2.479082 0.000000 9 C 3.640965 4.374471 3.652345 0.000000 10 O 4.585003 5.488661 4.604152 1.169844 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): 0.3466581 0.2522485 0.2520676 Leave Link 202 at Fri Apr 11 14:23:35 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2114.4138876600 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 14:23:35 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= 2742 LenP2D= 11498. 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= 614 NPtTot= 106390 NUsed= 110729 NTot= 110761 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 14:23:37 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 14:23:38 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the checkpoint file: Cu8CO05.chk Guess basis will be translated and rotated to current coordinates. Leave Link 401 at Fri Apr 11 14:23:38 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. 110728 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234375. IEnd= 284411 IEndB= 284411 NGot=1258291200 MDV=1012634636 LenX=1012634636 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= -1682.75032863056 DIIS: error= 1.72D-08 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.75032863056 IErMin= 1 ErrMin= 1.72D-08 ErrMax= 1.72D-08 EMaxC= 1.00D-01 BMatC= 1.18D-13 BMatP= 1.18D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.100D+01 Coeff: 0.100D+01 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=8.91D-09 MaxDP=2.09D-07 OVMax= 2.60D-07 SCF Done: E(RB+HF-LYP) = -1682.75032863 A.U. after 1 cycles Convg = 0.8910D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132176738794D+03 PE=-8.339100897095D+03 EE= 3.409759942011D+03 Leave Link 502 at Fri Apr 11 14:23:55 2008, MaxMem= 1258291200 cpu: 51.7 (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 0.11927998D+02 Leave Link 801 at Fri Apr 11 14:23:55 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= 2742 LenP2D= 11498. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 14:24:05 2008, MaxMem= 1258291200 cpu: 21.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Fri Apr 11 14:24:05 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291118. G2DrvN: will do 11 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Fri Apr 11 14:25:31 2008, MaxMem= 1258291200 cpu: 267.4 (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. 13 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. Inv2: IOpt= 1 Iter= 1 AM= 2.83D-15 Conv= 1.00D-12. Inverted reduced A of dimension 229 with in-core refinement. FullF1: Do perturbations 1 to 33. Isotropic polarizability for W= 0.000000 290.72 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:28:54 2008, MaxMem= 1258291200 cpu: 711.3 (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 -- -19.27113 -10.35234 -4.34296 -4.30027 -4.30003 Alpha occ. eigenvalues -- -4.29996 -4.28383 -4.28375 -4.28373 -4.27250 Alpha occ. eigenvalues -- -2.85373 -2.84687 -2.84686 -2.80873 -2.80816 Alpha occ. eigenvalues -- -2.80812 -2.80717 -2.80698 -2.80694 -2.80662 Alpha occ. eigenvalues -- -2.80630 -2.80624 -2.79302 -2.79293 -2.79290 Alpha occ. eigenvalues -- -2.79024 -2.79018 -2.79016 -2.79013 -2.79009 Alpha occ. eigenvalues -- -2.79008 -2.78188 -2.77851 -2.77850 -1.18805 Alpha occ. eigenvalues -- -0.58678 -0.48336 -0.48335 -0.47414 -0.35861 Alpha occ. eigenvalues -- -0.33654 -0.33638 -0.32444 -0.32440 -0.32434 Alpha occ. eigenvalues -- -0.32136 -0.30931 -0.30755 -0.30752 -0.29898 Alpha occ. eigenvalues -- -0.29896 -0.29359 -0.29066 -0.28589 -0.28585 Alpha occ. eigenvalues -- -0.28483 -0.28480 -0.27430 -0.27425 -0.26745 Alpha occ. eigenvalues -- -0.26524 -0.26522 -0.26392 -0.26257 -0.26250 Alpha occ. eigenvalues -- -0.26127 -0.25855 -0.25852 -0.25776 -0.25770 Alpha occ. eigenvalues -- -0.25688 -0.25263 -0.25261 -0.25257 -0.24845 Alpha occ. eigenvalues -- -0.24843 -0.24811 -0.24647 -0.24332 -0.24330 Alpha occ. eigenvalues -- -0.20308 -0.20297 -0.18687 Alpha virt. eigenvalues -- -0.08614 -0.08610 -0.07930 -0.07071 -0.07069 Alpha virt. eigenvalues -- -0.04241 -0.03087 -0.03083 -0.00557 -0.00549 Alpha virt. eigenvalues -- -0.00479 0.01920 0.02283 0.02815 0.02821 Alpha virt. eigenvalues -- 0.03040 0.03891 0.04221 0.04223 0.04466 Alpha virt. eigenvalues -- 0.04467 0.04948 0.04953 0.06115 0.06816 Alpha virt. eigenvalues -- 0.07001 0.07011 0.08091 0.08093 0.08225 Alpha virt. eigenvalues -- 0.08551 0.08571 0.08575 0.10498 0.10509 Alpha virt. eigenvalues -- 0.10587 0.10814 0.11874 0.11898 0.15526 Alpha virt. eigenvalues -- 0.15538 0.19956 0.21416 0.22814 0.22851 Alpha virt. eigenvalues -- 0.24398 0.24922 0.24943 0.25849 0.28909 Alpha virt. eigenvalues -- 0.28937 0.30405 0.32175 0.32185 0.34635 Alpha virt. eigenvalues -- 0.39753 0.39839 0.53540 0.64052 0.65949 Alpha virt. eigenvalues -- 0.66001 0.67440 0.67487 0.67907 0.69858 Alpha virt. eigenvalues -- 0.70905 0.70984 0.74974 0.75092 0.79127 Alpha virt. eigenvalues -- 0.79656 0.79673 0.83485 0.86012 0.86030 Alpha virt. eigenvalues -- 0.86443 0.86946 0.87051 0.88293 0.88356 Alpha virt. eigenvalues -- 0.89051 0.93513 0.99768 1.05843 1.05891 Alpha virt. eigenvalues -- 1.06043 1.06052 1.08722 1.17083 1.17866 Alpha virt. eigenvalues -- 1.17956 1.23181 1.23370 1.28193 1.31044 Alpha virt. eigenvalues -- 1.31055 1.31674 1.31704 1.32145 1.33051 Alpha virt. eigenvalues -- 1.33083 1.35495 1.52536 1.64114 1.84269 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0.00709 -0.01373 0.03859 28 4PZ -0.29464 0.25170 0.04193 -0.00358 0.00296 29 5PX -0.01055 0.00686 -0.00049 -0.00222 -0.00023 30 5PY 0.01017 -0.00706 -0.00127 -0.00178 0.00490 31 5PZ -0.00964 0.00619 0.00500 0.00047 -0.00158 32 6PX 0.01689 -0.01256 -0.00007 -0.00070 0.00002 33 6PY -0.01172 0.01515 0.00031 -0.00277 0.00666 34 6PZ 0.01695 -0.00597 0.00718 0.00006 -0.00025 35 7D 0 0.00044 -0.00020 0.00041 -0.00007 0.00018 36 7D+1 -0.00016 0.00005 0.00007 0.00002 0.00004 37 7D-1 -0.00059 0.00036 0.00013 0.00006 -0.00017 38 7D+2 -0.00071 0.00050 0.00005 -0.00013 0.00030 39 7D-2 0.00014 -0.00014 0.00004 -0.00005 0.00002 40 8D 0 -0.00044 -0.00085 -0.00264 0.00044 -0.00115 41 8D+1 0.00094 0.00011 -0.00029 -0.00012 -0.00025 42 8D-1 0.00027 -0.00017 -0.00079 -0.00033 0.00105 43 8D+2 -0.00060 -0.00026 -0.00032 0.00089 -0.00190 44 8D-2 -0.00007 0.00100 -0.00021 0.00024 -0.00002 45 3 Cu 1S -0.00020 -0.00032 -0.00086 0.00069 0.00134 46 2S -0.00006 -0.00008 -0.00138 0.00112 0.00215 47 3S -0.00052 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-0.00086 -0.00034 0.00111 -0.00161 0.00113 68 2S 0.00047 0.00023 -0.00009 -0.00051 0.00245 69 3S 0.00241 0.00150 0.02824 -0.03123 -0.01040 70 4PX 0.05414 0.08667 0.03957 0.01296 0.00255 71 4PY -0.31048 -0.05487 0.00140 0.03621 0.01062 72 4PZ 0.63299 0.23445 0.01607 -0.00745 -0.00407 73 5PX 0.00366 0.00108 0.00449 -0.00072 0.00042 74 5PY -0.00948 -0.00372 -0.00206 0.00539 0.00101 75 5PZ 0.01562 0.00553 0.00143 -0.00034 -0.00220 76 6PX -0.00739 0.00374 0.00677 0.00110 0.00051 77 6PY 0.01275 0.00957 -0.00079 0.00685 0.00146 78 6PZ -0.02613 -0.00940 0.00227 -0.00088 -0.00080 79 7D 0 0.00075 0.00025 -0.00009 0.00019 0.00006 80 7D+1 -0.00038 -0.00015 0.00026 0.00006 0.00004 81 7D-1 0.00039 0.00010 0.00006 0.00008 -0.00002 82 7D+2 0.00025 0.00018 0.00035 0.00019 0.00005 83 7D-2 0.00049 0.00013 -0.00001 -0.00029 -0.00006 84 8D 0 -0.00028 -0.00002 0.00061 -0.00122 -0.00038 85 8D+1 -0.00059 0.00011 -0.00156 -0.00034 -0.00026 86 8D-1 0.00044 0.00069 -0.00031 -0.00041 0.00018 87 8D+2 0.00038 -0.00125 -0.00224 -0.00127 -0.00029 88 8D-2 -0.00078 0.00016 0.00012 0.00178 0.00038 89 5 Cu 1S 0.00017 0.00027 0.00063 -0.00051 -0.00098 90 2S 0.00010 0.00016 -0.00026 0.00020 0.00035 91 3S 0.00035 0.00059 0.02489 -0.02012 -0.03853 92 4PX 0.00353 -0.00336 0.00343 0.00928 0.00012 93 4PY -0.00074 -0.00283 0.00855 -0.00137 0.00070 94 4PZ -0.00368 -0.00280 0.00244 -0.00255 0.00801 95 5PX 0.00310 -0.00247 0.00216 0.00126 -0.00202 96 5PY -0.00105 -0.00301 -0.00057 0.00181 0.00431 97 5PZ -0.00258 -0.00172 0.00304 -0.00262 -0.00176 98 6PX 0.00063 -0.00088 0.00150 0.00362 -0.00011 99 6PY -0.00015 -0.00082 0.00313 -0.00028 0.00078 100 6PZ -0.00068 -0.00068 0.00115 -0.00113 0.00291 101 7D 0 0.00014 0.00009 -0.00018 0.00030 -0.00023 102 7D+1 -0.00004 0.00009 0.00006 -0.00006 0.00019 103 7D-1 -0.00006 0.00000 0.00015 0.00002 -0.00016 104 7D+2 -0.00003 0.00012 -0.00028 -0.00032 -0.00011 105 7D-2 0.00008 -0.00005 0.00022 -0.00001 0.00002 106 8D 0 -0.00061 -0.00033 0.00097 -0.00170 0.00122 107 8D+1 0.00018 -0.00021 -0.00034 0.00025 -0.00117 108 8D-1 0.00014 0.00013 -0.00100 -0.00008 0.00108 109 8D+2 0.00021 -0.00054 0.00150 0.00182 0.00067 110 8D-2 -0.00017 0.00030 -0.00133 0.00019 -0.00004 111 6 Cu 1S 0.00070 0.00039 -0.00069 0.00013 0.00282 112 2S -0.00025 -0.00005 -0.00177 0.00320 -0.00433 113 3S -0.00047 -0.00001 -0.00738 -0.00562 0.05779 114 4PX 0.00734 0.01844 -0.03173 0.16695 -0.51066 115 4PY -0.01994 -0.00025 0.04113 -0.20975 0.64548 116 4PZ -0.00728 -0.00121 0.02983 -0.15132 0.46334 117 5PX 0.00188 -0.00161 -0.00103 0.00305 -0.01671 118 5PY -0.00090 -0.00203 -0.00054 -0.00601 0.02028 119 5PZ -0.00041 -0.00056 -0.00166 -0.00250 0.01622 120 6PX -0.00580 0.00817 0.00015 -0.00223 -0.00218 121 6PY 0.00119 0.00787 -0.00213 0.00030 0.00191 122 6PZ -0.00298 0.00051 -0.00323 0.00272 0.00281 123 7D 0 -0.00015 -0.00009 0.00004 -0.00011 0.00027 124 7D+1 -0.00005 -0.00005 0.00009 -0.00041 0.00138 125 7D-1 0.00011 -0.00001 -0.00008 0.00055 -0.00171 126 7D+2 -0.00017 0.00018 0.00001 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7D+1 0.00008 0.00062 0.00006 0.00025 0.00012 147 7D-1 -0.00007 -0.00052 0.00004 0.00010 -0.00004 148 7D+2 0.00006 0.00061 -0.00002 0.00003 -0.00024 149 7D-2 -0.00009 -0.00052 0.00004 -0.00018 0.00022 150 8D 0 -0.00114 -0.00008 0.00006 0.00230 -0.00080 151 8D+1 0.00031 -0.00072 -0.00035 -0.00158 -0.00067 152 8D-1 -0.00049 -0.00046 -0.00028 -0.00056 0.00023 153 8D+2 0.00080 -0.00025 0.00015 -0.00022 0.00160 154 8D-2 0.00021 -0.00045 -0.00029 0.00105 -0.00131 155 8 Cu 1S -0.00044 0.00054 -0.00066 0.00223 0.00174 156 2S 0.00027 -0.00012 -0.00187 -0.00536 0.00003 157 3S 0.00049 -0.00017 -0.00661 0.05030 0.02908 158 4PX 0.00952 -0.00967 0.05901 0.72913 0.23404 159 4PY 0.01515 -0.00001 0.03451 0.42390 0.13697 160 4PZ -0.00171 0.01795 -0.03361 -0.42565 -0.13647 161 5PX 0.00094 -0.00079 -0.00099 0.02267 0.01062 162 5PY -0.00031 -0.00222 -0.00025 0.01321 0.00380 163 5PZ -0.00194 -0.00084 -0.00162 -0.01261 -0.00545 164 6PX 0.00077 -0.00039 -0.00355 0.00116 0.00474 165 6PY 0.00223 0.00909 -0.00146 0.00113 -0.00004 166 6PZ 0.00776 0.00447 -0.00055 -0.00044 -0.00182 167 7D 0 0.00010 0.00016 0.00003 0.00062 0.00021 168 7D+1 0.00007 -0.00020 0.00015 0.00169 0.00057 169 7D-1 0.00013 -0.00013 0.00008 0.00095 0.00030 170 7D+2 0.00009 0.00006 -0.00007 -0.00108 -0.00038 171 7D-2 -0.00019 0.00005 -0.00011 -0.00170 -0.00053 172 8D 0 -0.00039 -0.00087 0.00016 -0.00016 -0.00007 173 8D+1 -0.00047 0.00080 -0.00012 0.00007 -0.00015 174 8D-1 -0.00080 0.00083 -0.00002 -0.00007 -0.00001 175 8D+2 -0.00059 -0.00013 -0.00008 0.00020 0.00028 176 8D-2 0.00081 -0.00037 -0.00018 0.00002 -0.00010 177 9 C 1S 0.00000 0.00001 0.00008 -0.00006 -0.00012 178 2S 0.00008 0.00012 0.00092 -0.00074 -0.00140 179 3S -0.00034 -0.00048 -0.00678 0.00548 0.01045 180 4PX 0.00006 -0.00007 -0.00005 -0.00025 -0.00006 181 4PY 0.00000 -0.00003 -0.00027 0.00009 0.00009 182 4PZ -0.00008 -0.00007 0.00002 0.00000 -0.00031 183 5PX -0.00164 0.00133 0.00034 0.00094 0.00001 184 5PY 0.00052 0.00158 0.00086 -0.00014 0.00008 185 5PZ 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-0.03765 -0.07237 0.21055 0.02559 -0.00473 193 5PY 0.07588 0.13307 0.10900 -0.04677 0.00945 194 5PZ -0.06939 0.18233 0.00398 0.05114 -0.00912 41 42 43 44 45 O O O O O EIGENVALUES -- -0.33654 -0.33638 -0.32444 -0.32440 -0.32434 1 1 Cu 1S 0.00294 0.00054 0.00051 0.00043 0.00221 2 2S -0.09671 -0.01774 0.00991 0.08812 0.04507 3 3S -0.05926 -0.01138 0.03554 0.14421 0.15426 4 4PX -0.01341 -0.00511 -0.00720 0.00688 0.00450 5 4PY -0.01210 -0.00173 0.00368 0.01382 0.00972 6 4PZ -0.01662 -0.00110 0.00581 0.00644 -0.00031 7 5PX 0.03896 -0.00330 0.01054 -0.03079 -0.02275 8 5PY 0.03476 0.00817 -0.01293 -0.02601 -0.04294 9 5PZ 0.04169 0.01502 -0.01414 -0.03684 -0.01318 10 6PX -0.02381 0.00784 -0.03189 -0.01178 0.00480 11 6PY -0.03783 -0.00869 0.00324 -0.00185 -0.01153 12 6PZ -0.01944 -0.01191 0.02289 -0.01506 -0.00712 13 7D 0 -0.02192 0.02752 0.04819 -0.03819 -0.06480 14 7D+1 -0.10554 -0.02949 -0.00546 0.01591 0.02098 15 7D-1 -0.11529 -0.00701 0.08065 0.04617 -0.01336 16 7D+2 0.00196 -0.02236 -0.09050 -0.05881 -0.07278 17 7D-2 -0.09602 -0.02640 -0.07953 0.05526 0.06228 18 8D 0 -0.00927 0.00935 0.01662 -0.01199 -0.02229 19 8D+1 -0.04019 -0.01105 -0.00118 0.00715 0.00811 20 8D-1 -0.04375 -0.00397 0.03003 0.01440 -0.00621 21 8D+2 -0.00126 -0.00771 -0.03262 -0.01993 -0.02567 22 8D-2 -0.03622 -0.00847 -0.03076 0.01794 0.02200 23 2 Cu 1S -0.00018 0.00037 0.00210 -0.00082 -0.00204 24 2S -0.05875 0.06866 0.02962 -0.00833 -0.03154 25 3S -0.14542 0.17756 0.08260 -0.22488 -0.09984 26 4PX -0.00235 0.00327 -0.00212 -0.01919 0.00018 27 4PY 0.00318 0.01806 0.00223 0.00826 -0.00505 28 4PZ 0.01865 0.00069 -0.00582 -0.00686 0.00138 29 5PX 0.04041 -0.04804 0.00169 0.04287 0.00271 30 5PY 0.03492 -0.03513 -0.02499 0.03007 0.02695 31 5PZ -0.02770 0.04104 0.02372 -0.02997 -0.02624 32 6PX 0.03943 -0.04562 0.00142 -0.01672 -0.00286 33 6PY 0.02099 0.04610 -0.00547 0.02098 0.00311 34 6PZ 0.04879 0.01522 -0.00050 -0.01826 -0.00694 35 7D 0 -0.18602 -0.09364 0.07313 0.14174 0.04912 36 7D+1 0.07525 0.04033 0.04229 0.05248 -0.02315 37 7D-1 0.04252 -0.04100 -0.06963 -0.03257 0.05821 38 7D+2 -0.03066 -0.13826 -0.00678 -0.26568 0.04641 39 7D-2 0.05280 0.07227 -0.03063 -0.03973 0.04190 40 8D 0 -0.06289 -0.03279 0.02545 0.04761 0.01705 41 8D+1 0.02695 0.01195 0.01521 0.02001 -0.00883 42 8D-1 0.01521 -0.01487 -0.02442 -0.00836 0.02073 43 8D+2 -0.01170 -0.04582 -0.00235 -0.08930 0.01643 44 8D-2 0.01651 0.02624 -0.01163 -0.01572 0.01486 45 3 Cu 1S -0.00002 0.00001 0.00003 0.00561 0.00041 46 2S -0.00036 -0.00079 -0.00158 -0.04282 -0.00432 47 3S -0.00163 -0.00126 -0.00129 0.11500 0.00675 48 4PX 0.00165 -0.00185 -0.00252 0.00475 0.00311 49 4PY 0.00176 0.00061 0.00099 -0.01001 0.00177 50 4PZ 0.00106 0.00187 0.00295 0.00917 0.00223 51 5PX 0.00328 -0.00376 0.01234 -0.00087 -0.01295 52 5PY 0.00395 0.00165 -0.00525 0.00461 -0.01160 53 5PZ 0.00192 0.00305 -0.01365 -0.00271 -0.00731 54 6PX 0.00120 -0.00211 -0.00845 0.02303 0.01011 55 6PY 0.00167 0.00088 0.00370 -0.04790 0.00468 56 6PZ 0.00068 0.00186 0.00927 0.04418 0.00771 57 7D 0 -0.00910 -0.02203 -0.03255 -0.01693 -0.01521 58 7D+1 -0.00337 0.00765 0.00879 -0.05460 -0.01846 59 7D-1 0.00054 0.00139 0.00765 0.11090 0.00590 60 7D+2 -0.02060 0.00637 0.00475 0.04593 -0.02643 61 7D-2 0.00831 -0.00527 -0.01359 0.05804 0.01626 62 8D 0 -0.00261 -0.00759 -0.01197 -0.00636 -0.00550 63 8D+1 0.00055 0.00277 0.00327 -0.02047 -0.00649 64 8D-1 0.00097 -0.00052 0.00266 0.04155 0.00240 65 8D+2 -0.00718 0.00279 0.00186 0.01721 -0.00971 66 8D-2 0.00325 -0.00022 -0.00471 0.02177 0.00607 67 4 Cu 1S -0.00007 -0.00033 -0.00275 -0.00089 -0.00085 68 2S -0.03137 -0.08655 -0.04137 -0.01020 -0.01359 69 3S -0.07600 -0.21517 -0.11167 -0.23040 -0.05022 70 4PX 0.01891 0.00297 0.00365 0.00123 -0.00189 71 4PY 0.00568 -0.01720 -0.00470 0.00439 -0.00314 72 4PZ 0.00344 0.00079 0.00477 -0.02136 -0.00078 73 5PX -0.01267 -0.05153 -0.02181 -0.03459 -0.00935 74 5PY 0.02679 0.06466 0.03741 0.04524 0.01439 75 5PZ 0.01242 0.03144 -0.01787 0.02487 -0.00317 76 6PX 0.04969 -0.02249 -0.00054 -0.00770 -0.00500 77 6PY 0.03062 -0.02248 0.00541 0.01925 0.00063 78 6PZ 0.03125 0.05887 -0.00433 -0.02459 -0.00388 79 7D 0 0.03711 0.07897 -0.01247 -0.19772 -0.00713 80 7D+1 -0.01124 -0.04127 -0.06439 0.16790 0.03795 81 7D-1 0.05766 0.01932 0.09286 -0.15917 0.03186 82 7D+2 -0.21562 0.10764 0.01433 -0.02882 0.07294 83 7D-2 0.10413 0.01248 0.05240 0.03487 -0.01958 84 8D 0 0.01258 0.02695 -0.00502 -0.06482 -0.00250 85 8D+1 -0.00336 -0.01213 -0.02281 0.05740 0.01268 86 8D-1 0.01873 0.00439 0.03341 -0.05477 0.01116 87 8D+2 -0.07345 0.03714 0.00503 -0.00862 0.02577 88 8D-2 0.03632 0.00638 0.01804 0.01513 -0.00667 89 5 Cu 1S 0.00003 0.00001 -0.00002 -0.00382 -0.00028 90 2S -0.00089 -0.00059 0.00049 0.18604 0.01333 91 3S 0.00045 0.00064 0.00251 0.12852 0.01058 92 4PX 0.01029 -0.01203 0.00132 0.00249 -0.00092 93 4PY 0.01179 0.00475 -0.00073 -0.00460 -0.00153 94 4PZ 0.00632 0.01078 -0.00119 0.00480 -0.00021 95 5PX 0.00784 -0.00802 0.01288 -0.05265 -0.01776 96 5PY 0.00690 0.00241 -0.00484 0.10804 -0.00492 97 5PZ 0.00563 0.00846 -0.01514 -0.10024 -0.01490 98 6PX -0.00090 0.00026 0.05940 0.00715 -0.05865 99 6PY -0.00052 0.00018 -0.02783 -0.00122 -0.05917 100 6PZ -0.00060 -0.00040 -0.06115 0.00809 -0.03047 101 7D 0 0.28306 0.56733 -0.22465 -0.06507 0.11662 102 7D+1 0.23219 -0.19068 0.17989 -0.22836 0.60585 103 7D-1 0.04693 -0.11198 -0.36730 0.34161 0.35810 104 7D+2 0.53427 -0.11071 0.27879 0.16525 -0.27050 105 7D-2 -0.18922 0.27528 0.57803 0.17709 0.21435 106 8D 0 0.09246 0.18427 -0.06966 -0.02107 0.03754 107 8D+1 0.07700 -0.06181 0.05659 -0.07373 0.19255 108 8D-1 0.01598 -0.03731 -0.11677 0.11094 0.11381 109 8D+2 0.17359 -0.03539 0.08818 0.05336 -0.08436 110 8D-2 -0.06114 0.09097 0.18395 0.05762 0.06755 111 6 Cu 1S -0.00101 -0.00281 -0.00214 0.00063 -0.00059 112 2S 0.03247 0.09043 -0.03965 0.09335 -0.00449 113 3S 0.01870 0.05373 -0.14230 0.15930 -0.02957 114 4PX 0.00687 0.01136 -0.00415 0.00626 0.00786 115 4PY -0.00387 -0.01586 -0.00100 -0.00661 0.00488 116 4PZ -0.00394 -0.01231 0.00871 -0.01535 0.00286 117 5PX -0.00177 -0.03656 0.01969 -0.03019 -0.01280 118 5PY 0.02102 0.03774 -0.00916 0.03895 -0.01046 119 5PZ 0.01451 0.03484 -0.04198 0.03341 -0.01240 120 6PX -0.00404 0.02400 -0.00755 -0.01295 0.03167 121 6PY -0.01495 -0.01716 -0.00650 0.01349 0.02206 122 6PZ -0.01563 -0.03623 -0.01062 0.00267 0.00294 123 7D 0 -0.00348 0.00286 -0.08836 0.08612 -0.05291 124 7D+1 -0.04293 -0.08844 0.05853 -0.05024 -0.08920 125 7D-1 0.02826 0.11795 0.02329 0.04849 -0.07213 126 7D+2 0.02744 -0.02890 -0.01822 -0.00194 0.08030 127 7D-2 -0.04562 -0.08991 0.02000 -0.01559 -0.01106 128 8D 0 -0.00153 -0.00103 -0.03090 0.02881 -0.01957 129 8D+1 -0.01472 -0.03381 0.02097 -0.01618 -0.03412 130 8D-1 0.01209 0.04474 0.00953 0.01543 -0.02699 131 8D+2 0.00925 -0.01057 -0.00593 -0.00171 0.02816 132 8D-2 -0.01720 -0.03435 0.00761 -0.00724 -0.00326 133 7 Cu 1S 0.00039 0.00013 0.00071 -0.00110 0.00276 134 2S 0.08841 0.01486 0.00935 -0.01289 0.04081 135 3S 0.22715 0.04128 0.02705 -0.23511 0.10015 136 4PX -0.00637 -0.01757 0.00230 0.00153 -0.00347 137 4PY 0.00212 0.00339 0.00100 0.02098 0.00695 138 4PZ -0.01553 0.00917 -0.00346 -0.00297 -0.00506 139 5PX 0.05560 0.00419 0.00561 -0.03752 0.02052 140 5PY 0.02900 0.00602 -0.00510 -0.01923 -0.02077 141 5PZ 0.06820 0.01624 0.00834 -0.04741 0.03378 142 6PX 0.01527 -0.04997 0.00434 -0.00798 0.00089 143 6PY 0.06332 0.02083 -0.00121 0.02735 -0.00174 144 6PZ -0.01423 0.03522 -0.00244 -0.01759 0.00355 145 7D 0 0.09809 -0.19425 0.07233 0.10664 0.01347 146 7D+1 0.03132 0.08649 -0.01911 -0.04562 0.04513 147 7D-1 -0.03478 -0.04721 -0.04177 -0.15832 -0.10492 148 7D+2 0.03553 0.13438 -0.02871 0.14593 -0.00917 149 7D-2 -0.04474 -0.01555 0.02717 -0.17542 -0.08113 150 8D 0 0.03396 -0.06619 0.02519 0.03414 0.00408 151 8D+1 0.01317 0.02999 -0.00675 -0.01884 0.01533 152 8D-1 -0.00966 -0.01557 -0.01453 -0.05397 -0.03744 153 8D+2 0.01219 0.04579 -0.01040 0.04811 -0.00412 154 8D-2 -0.01327 -0.00515 0.00907 -0.05965 -0.02849 155 8 Cu 1S -0.00192 0.00231 0.00158 0.00069 -0.00152 156 2S 0.06199 -0.07493 0.02984 0.09363 -0.02120 157 3S 0.03627 -0.04545 0.10706 0.16253 -0.09116 158 4PX -0.01255 0.01519 -0.00683 -0.01771 0.00532 159 4PY -0.00506 0.00955 0.00581 -0.00218 0.00372 160 4PZ 0.00850 -0.00660 0.00409 0.00180 0.00630 161 5PX 0.03550 -0.04241 0.03504 0.04950 -0.03020 162 5PY 0.02395 -0.01501 -0.00804 0.02475 -0.00828 163 5PZ -0.01013 0.02678 -0.01127 -0.02337 -0.01023 164 6PX -0.03129 0.03604 0.00718 0.00996 -0.00580 165 6PY -0.01338 -0.00016 0.01795 0.00990 0.02194 166 6PZ -0.00189 -0.01409 0.02164 -0.01311 0.01926 167 7D 0 -0.01274 0.05622 -0.01680 -0.05795 0.05162 168 7D+1 -0.08352 0.06708 -0.05729 0.00016 -0.09807 169 7D-1 -0.02834 0.03250 -0.01672 -0.00155 0.01645 170 7D+2 0.06845 -0.05989 0.06883 0.09756 -0.04196 171 7D-2 0.05171 -0.09418 -0.09439 0.00653 -0.05302 172 8D 0 -0.00458 0.02040 -0.00670 -0.01922 0.01718 173 8D+1 -0.03099 0.02725 -0.02153 0.00030 -0.03639 174 8D-1 -0.01065 0.01217 -0.00670 -0.00298 0.00650 175 8D+2 0.02497 -0.02172 0.02334 0.03228 -0.01526 176 8D-2 0.02158 -0.03543 -0.03493 0.00234 -0.01995 177 9 C 1S -0.00027 -0.00029 0.00005 -0.00967 -0.00066 178 2S 0.00073 0.00073 -0.00019 0.00891 0.00052 179 3S 0.00029 0.00068 0.00029 0.11962 0.00863 180 4PX 0.01949 -0.02274 -0.00915 -0.01107 0.00822 181 4PY 0.02202 0.00888 0.00416 0.02062 0.01025 182 4PZ 0.01204 0.02048 0.00986 -0.01995 0.00351 183 5PX 0.01838 -0.02094 -0.01076 -0.01195 0.00947 184 5PY 0.02007 0.00781 0.00524 0.02188 0.01213 185 5PZ 0.01166 0.01954 0.01080 -0.02112 0.00385 186 10 O 1S 0.00002 0.00003 -0.00001 0.00235 0.00016 187 2S -0.00011 -0.00012 0.00003 -0.00639 -0.00044 188 3S 0.00025 0.00016 0.00011 -0.01368 -0.00084 189 4PX -0.05801 0.06556 0.02352 0.01332 -0.02181 190 4PY -0.06289 -0.02420 -0.01087 -0.02220 -0.02390 191 4PZ -0.03687 -0.06143 -0.02504 0.02369 -0.01072 192 5PX -0.03499 0.03946 0.01359 0.00809 -0.01262 193 5PY -0.03778 -0.01449 -0.00631 -0.01364 -0.01395 194 5PZ -0.02231 -0.03713 -0.01441 0.01429 -0.00616 46 47 48 49 50 O O O O O EIGENVALUES -- -0.32136 -0.30931 -0.30755 -0.30752 -0.29898 1 1 Cu 1S 0.00272 -0.00318 -0.00241 0.00123 0.00178 2 2S 0.02141 -0.05014 0.03216 -0.01647 0.03068 3 3S 0.05853 -0.15124 -0.04587 0.02381 0.10224 4 4PX -0.00178 -0.00611 0.00259 -0.00762 0.00694 5 4PY 0.00321 0.00877 -0.00059 0.00137 -0.00044 6 4PZ -0.00309 -0.01066 0.00927 -0.00018 0.00263 7 5PX -0.00255 0.03118 0.00733 0.01746 -0.02587 8 5PY -0.02627 -0.00012 -0.01521 0.00403 -0.00818 9 5PZ 0.00276 0.04332 -0.00468 -0.01294 -0.01491 10 6PX -0.02151 0.00118 0.01218 -0.02747 -0.00422 11 6PY 0.01056 0.04564 0.02897 -0.01139 0.02722 12 6PZ -0.03216 -0.00944 0.02838 0.00093 -0.01021 13 7D 0 -0.04724 -0.12578 0.14328 0.02240 0.00862 14 7D+1 -0.08027 -0.09496 0.14721 -0.11595 0.08287 15 7D-1 -0.04133 0.09289 -0.04221 0.01231 0.03148 16 7D+2 -0.04478 -0.11396 0.03866 -0.06330 0.19484 17 7D-2 -0.02651 0.09838 -0.01134 0.04574 -0.00109 18 8D 0 -0.01712 -0.04287 0.04880 0.00844 0.00222 19 8D+1 -0.03072 -0.03382 0.05326 -0.04157 0.02814 20 8D-1 -0.01350 0.03204 -0.01441 0.00334 0.01272 21 8D+2 -0.01467 -0.03784 0.01071 -0.02031 0.06599 22 8D-2 -0.00928 0.03326 -0.00172 0.01588 0.00107 23 2 Cu 1S -0.00056 0.00011 0.00164 0.00106 -0.00261 24 2S 0.03451 -0.06644 0.07491 0.05053 -0.03984 25 3S -0.00593 0.00510 0.22151 0.14444 -0.07825 26 4PX 0.00931 -0.00374 0.00779 0.00566 -0.00325 27 4PY -0.00937 0.00296 -0.00589 0.01430 0.00020 28 4PZ 0.00897 -0.00198 -0.01110 0.01169 -0.00307 29 5PX -0.00543 0.02125 -0.06864 -0.04608 0.01574 30 5PY -0.01227 0.00356 0.00077 -0.03740 -0.00198 31 5PZ 0.01178 -0.00561 0.03551 -0.01598 -0.00538 32 6PX 0.01834 0.03151 0.00006 0.00032 0.00875 33 6PY -0.03943 -0.01828 -0.04988 0.01282 -0.03881 34 6PZ 0.03754 0.01931 0.00771 0.05075 -0.02538 35 7D 0 -0.12373 -0.08802 0.09001 -0.12245 0.20390 36 7D+1 0.17338 -0.07840 -0.20054 0.28270 -0.04625 37 7D-1 0.06494 -0.35061 0.19173 0.13133 -0.00018 38 7D+2 0.20586 0.11964 0.04358 -0.05946 0.07022 39 7D-2 -0.18739 0.08012 -0.16345 0.29401 0.20958 40 8D 0 -0.04161 -0.03096 0.02844 -0.03953 0.06796 41 8D+1 0.05895 -0.02580 -0.06882 0.09410 -0.01561 42 8D-1 0.02026 -0.11752 0.06355 0.04342 -0.00162 43 8D+2 0.06913 0.04268 0.01487 -0.01832 0.02372 44 8D-2 -0.06374 0.02626 -0.05350 0.09968 0.07101 45 3 Cu 1S 0.00021 0.00233 0.00006 -0.00005 0.00002 46 2S 0.11647 -0.03641 -0.00066 0.00014 0.00040 47 3S 0.14693 0.08199 0.00241 -0.00239 0.00139 48 4PX -0.00880 0.00195 -0.00443 -0.00273 0.01022 49 4PY 0.01756 -0.00369 -0.00326 0.00252 0.00648 50 4PZ -0.01648 0.00364 -0.00095 0.00411 0.00133 51 5PX 0.02910 0.00150 -0.01215 -0.00772 -0.02733 52 5PY -0.05785 -0.00240 -0.00897 0.00730 -0.01756 53 5PZ 0.05445 0.00273 -0.00260 0.01103 -0.00340 54 6PX -0.01143 -0.00135 0.02149 0.01344 0.05290 55 6PY 0.02279 0.00111 0.01532 -0.01217 0.03320 56 6PZ -0.02121 -0.00228 0.00476 -0.02012 0.00719 57 7D 0 0.02129 -0.00096 0.02910 -0.05521 -0.03749 58 7D+1 0.06763 -0.00153 0.08899 -0.01770 -0.15271 59 7D-1 -0.13464 -0.00142 0.04999 0.03814 -0.08166 60 7D+2 -0.05359 -0.00123 0.03124 -0.02654 -0.11118 61 7D-2 -0.07160 -0.00130 -0.02458 -0.08479 0.08023 62 8D 0 0.00807 -0.00020 0.01011 -0.01804 -0.01396 63 8D+1 0.02562 -0.00014 0.03103 -0.00664 -0.05581 64 8D-1 -0.05097 -0.00128 0.01761 0.01339 -0.03057 65 8D+2 -0.02027 -0.00072 0.00967 -0.00933 -0.03705 66 8D-2 -0.02709 -0.00089 -0.00807 -0.02971 0.02793 67 4 Cu 1S -0.00060 0.00009 0.00010 -0.00197 0.00012 68 2S 0.03298 -0.06675 0.00289 -0.08980 0.00199 69 3S -0.00893 0.00387 0.01284 -0.26368 0.00291 70 4PX 0.00352 -0.00010 -0.01830 0.00399 -0.00378 71 4PY -0.00862 0.00227 -0.01181 -0.00593 -0.00259 72 4PZ 0.01328 -0.00468 -0.00287 -0.00756 -0.00052 73 5PX 0.00920 -0.01066 0.03923 -0.03734 -0.00855 74 5PY -0.01400 0.00948 0.02333 0.04244 -0.00608 75 5PZ 0.00095 0.01753 0.00358 0.06638 -0.00194 76 6PX 0.02045 0.00428 -0.04287 -0.02572 -0.08023 77 6PY -0.04013 -0.01363 -0.03182 0.03794 -0.05347 78 6PZ 0.03648 0.03894 -0.00609 -0.01765 -0.01438 79 7D 0 0.32797 0.08588 -0.09606 0.02981 0.10121 80 7D+1 -0.03716 -0.08803 -0.28906 0.00456 0.33326 81 7D-1 -0.06170 0.00426 -0.24324 -0.11166 0.15568 82 7D+2 0.04269 -0.14391 0.32216 -0.07528 0.28641 83 7D-2 0.11750 -0.35017 -0.07033 -0.18822 -0.17459 84 8D 0 0.11090 0.03155 -0.03246 0.01024 0.03412 85 8D+1 -0.01205 -0.03068 -0.09817 0.00285 0.11232 86 8D-1 -0.02201 0.00197 -0.08184 -0.03915 0.05272 87 8D+2 0.01378 -0.04806 0.10600 -0.02494 0.09528 88 8D-2 0.03855 -0.11744 -0.02265 -0.06126 -0.05827 89 5 Cu 1S -0.00024 0.00149 0.00001 0.00000 0.00000 90 2S 0.03902 0.08101 0.00216 -0.00197 0.00026 91 3S -0.23359 0.31940 0.00560 -0.00373 0.00034 92 4PX -0.01197 0.00426 -0.00243 -0.00147 0.00043 93 4PY 0.02386 -0.00835 -0.00184 0.00133 0.00021 94 4PZ -0.02214 0.00800 -0.00049 0.00232 0.00001 95 5PX 0.06737 -0.05693 -0.03170 -0.01853 -0.01215 96 5PY -0.13411 0.11468 -0.02020 0.01659 -0.00734 97 5PZ 0.12530 -0.10696 -0.00869 0.02918 -0.00157 98 6PX 0.01356 0.01081 -0.00304 -0.00148 0.02755 99 6PY -0.02735 -0.02202 -0.00306 0.00188 0.01704 100 6PZ 0.02455 0.01945 -0.00039 0.00190 0.00324 101 7D 0 -0.05196 -0.01856 0.03962 -0.28412 -0.02054 102 7D+1 -0.15136 -0.04326 0.10281 0.06391 -0.01331 103 7D-1 0.31233 0.08225 0.02361 0.02441 -0.05830 104 7D+2 0.12395 0.02671 0.25379 -0.01507 0.24228 105 7D-2 0.17460 0.04467 -0.11455 -0.06846 -0.08912 106 8D 0 -0.01743 -0.00588 0.01327 -0.09179 -0.00595 107 8D+1 -0.05097 -0.01374 0.03466 0.02002 -0.00307 108 8D-1 0.10488 0.02608 0.00857 0.00858 -0.01707 109 8D+2 0.04160 0.00846 0.08170 -0.00538 0.07387 110 8D-2 0.05845 0.01418 -0.03709 -0.02362 -0.02740 111 6 Cu 1S 0.00258 -0.00326 0.00007 -0.00261 0.00010 112 2S 0.02210 -0.04831 -0.00260 0.03783 0.00145 113 3S 0.05464 -0.15212 0.00001 -0.04790 0.00494 114 4PX -0.00151 -0.00564 -0.00604 0.00558 0.00648 115 4PY 0.00313 0.01083 -0.00313 -0.00922 0.00398 116 4PZ -0.00297 -0.00811 -0.00123 0.00104 0.00109 117 5PX -0.00199 0.02918 0.01968 -0.00115 -0.01770 118 5PY -0.00375 -0.04415 0.01213 -0.00008 -0.01023 119 5PZ 0.02535 -0.00172 0.00269 0.01469 -0.00243 120 6PX -0.02005 0.00149 -0.02023 0.02095 -0.00221 121 6PY 0.03277 0.01101 -0.01110 -0.02534 -0.00045 122 6PZ -0.00907 -0.04687 -0.00281 -0.03146 -0.00179 123 7D 0 0.05401 0.16624 0.00179 -0.12628 -0.01789 124 7D+1 0.02896 -0.08388 -0.03561 0.02106 -0.01683 125 7D-1 -0.04870 0.07789 -0.00126 -0.03060 -0.04164 126 7D+2 0.02240 0.05703 -0.08453 -0.08722 0.18155 127 7D-2 0.07427 0.08921 0.05344 -0.18428 -0.07118 128 8D 0 0.01838 0.05593 0.00007 -0.04036 -0.00600 129 8D+1 0.01017 -0.02837 -0.01332 0.00539 -0.00559 130 8D-1 -0.01612 0.02697 -0.00113 -0.01013 -0.01396 131 8D+2 0.00901 0.02001 -0.02936 -0.03105 0.06191 132 8D-2 0.02855 0.03167 0.01892 -0.06636 -0.02429 133 7 Cu 1S -0.00059 0.00020 -0.00171 0.00087 0.00248 134 2S 0.03558 -0.06343 -0.08237 0.04255 0.03792 135 3S -0.00431 0.01405 -0.23515 0.12129 0.07358 136 4PX 0.00298 -0.00066 -0.00340 -0.01819 -0.00192 137 4PY -0.01356 0.00455 0.00795 -0.00056 -0.00328 138 4PZ 0.00767 -0.00189 0.01076 0.00875 0.00237 139 5PX 0.01069 -0.00878 -0.02098 0.05217 0.00151 140 5PY -0.00138 -0.01477 -0.06017 0.02366 0.01335 141 5PZ 0.01506 -0.00899 -0.05052 -0.00370 0.00882 142 6PX 0.02018 0.00294 -0.04082 -0.02831 -0.04361 143 6PY -0.03810 -0.03969 0.01954 -0.00105 0.01939 144 6PZ 0.03770 0.01466 -0.01878 0.04492 0.02488 145 7D 0 -0.19879 0.05717 -0.07367 -0.24553 -0.22983 146 7D+1 -0.11664 0.35313 0.20275 -0.03711 0.02836 147 7D-1 -0.03663 -0.00797 -0.20889 -0.17154 0.00169 148 7D+2 -0.26176 -0.12272 0.04152 0.26165 -0.09477 149 7D-2 0.05420 0.08670 0.09820 0.24340 -0.21372 150 8D 0 -0.06677 0.01772 -0.02432 -0.08038 -0.07715 151 8D+1 -0.03827 0.11858 0.06591 -0.01237 0.00789 152 8D-1 -0.01354 -0.00194 -0.07168 -0.05724 0.00096 153 8D+2 -0.08893 -0.04335 0.01332 0.08724 -0.03178 154 8D-2 0.01779 0.03045 0.03233 0.08330 -0.07218 155 8 Cu 1S 0.00267 -0.00326 0.00217 0.00146 -0.00187 156 2S 0.02153 -0.04848 -0.03232 -0.01983 -0.03192 157 3S 0.05693 -0.15207 0.03821 0.02806 -0.10705 158 4PX -0.00154 -0.00340 0.00224 0.00174 0.00272 159 4PY 0.00334 0.01047 0.00380 0.00783 0.00669 160 4PZ -0.00294 -0.00975 -0.00889 0.00046 -0.00157 161 5PX 0.02368 -0.02038 -0.01197 -0.00789 -0.02083 162 5PY -0.00847 -0.03547 0.01148 -0.01099 -0.02232 163 5PZ 0.00729 0.03373 0.00683 -0.01636 0.00879 164 6PX 0.00549 -0.04111 0.03367 0.02352 0.02177 165 6PY 0.02874 0.01858 0.00305 0.02025 -0.01668 166 6PZ -0.02710 -0.01578 -0.02122 0.00712 0.01403 167 7D 0 -0.00130 -0.09037 -0.08888 0.05349 0.01410 168 7D+1 0.06947 0.02921 0.06626 0.03785 0.07528 169 7D-1 0.04814 0.11592 0.16309 0.09609 0.00662 170 7D+2 0.00404 0.16933 0.04990 0.08965 0.12735 171 7D-2 -0.07449 -0.03617 -0.06341 -0.04704 -0.15484 172 8D 0 -0.00018 -0.03037 -0.02931 0.02012 0.00587 173 8D+1 0.02442 0.00990 0.02256 0.01391 0.02661 174 8D-1 0.01985 0.04101 0.05863 0.03456 0.00118 175 8D+2 0.00115 0.05717 0.01415 0.02953 0.04153 176 8D-2 -0.02609 -0.01218 -0.02227 -0.01558 -0.05355 177 9 C 1S -0.02349 0.00156 -0.00011 0.00020 -0.00001 178 2S 0.05563 -0.00988 0.00016 -0.00045 0.00001 179 3S 0.04490 0.03656 0.00098 -0.00067 0.00017 180 4PX -0.02770 0.00216 0.01702 0.01050 0.01189 181 4PY 0.05593 -0.00523 0.01240 -0.00989 0.00760 182 4PZ -0.05091 0.00391 0.00380 -0.01549 0.00180 183 5PX 0.00324 -0.01397 0.02555 0.01594 0.00382 184 5PY -0.00664 0.02680 0.01903 -0.01489 0.00254 185 5PZ 0.00596 -0.02568 0.00543 -0.02363 0.00065 186 10 O 1S 0.00391 -0.00024 0.00002 -0.00003 0.00000 187 2S -0.01338 -0.00114 -0.00012 0.00018 0.00000 188 3S -0.00735 0.00840 0.00026 -0.00032 -0.00003 189 4PX 0.02076 0.00047 -0.03589 -0.02175 -0.01998 190 4PY -0.04173 0.00097 -0.02575 0.02013 -0.01276 191 4PZ 0.03829 0.00102 -0.00826 0.03313 -0.00310 192 5PX 0.00489 0.00136 -0.02585 -0.01563 -0.01114 193 5PY -0.00969 -0.00140 -0.01845 0.01436 -0.00715 194 5PZ 0.00910 0.00253 -0.00599 0.02404 -0.00173 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29896 -0.29359 -0.29066 -0.28589 -0.28585 1 1 Cu 1S 0.00113 -0.00001 0.00000 0.00046 -0.00082 2 2S 0.01938 -0.00396 0.00011 -0.04207 0.07268 3 3S 0.06467 -0.00721 0.00019 -0.05746 0.09825 4 4PX -0.00297 -0.00127 -0.00643 0.00062 0.00809 5 4PY 0.00103 0.00004 0.00115 -0.00165 0.00131 6 4PZ 0.00693 -0.00170 0.00464 -0.00729 0.00595 7 5PX 0.00323 0.00350 0.01075 0.01348 -0.02224 8 5PY -0.00865 -0.00401 -0.00194 0.00392 -0.00696 9 5PZ -0.02349 0.00588 -0.00780 0.01703 -0.02980 10 6PX -0.00015 0.00621 -0.01031 -0.01706 -0.00489 11 6PY 0.01698 -0.00580 0.00185 0.01859 -0.02502 12 6PZ -0.00862 0.01033 0.00734 0.00371 0.01779 13 7D 0 0.19470 -0.02220 0.24739 -0.27167 -0.07961 14 7D+1 -0.01782 0.03778 -0.08888 0.08678 0.06068 15 7D-1 0.06830 -0.10090 0.07738 -0.02067 -0.05169 16 7D+2 0.00350 -0.09731 -0.16321 0.09192 0.16179 17 7D-2 -0.00999 -0.03593 -0.03096 0.01115 -0.06047 18 8D 0 0.06593 -0.00702 0.08314 -0.09060 -0.02605 19 8D+1 -0.00619 0.01333 -0.02974 0.02879 0.02045 20 8D-1 0.02437 -0.03502 0.02674 -0.00583 -0.01809 21 8D+2 0.00101 -0.03276 -0.05521 0.03031 0.05386 22 8D-2 -0.00226 -0.01281 -0.01139 0.00371 -0.02126 23 2 Cu 1S 0.00136 0.00166 -0.00002 -0.00020 0.00002 24 2S 0.02103 -0.02954 -0.00028 -0.05828 -0.00005 25 3S 0.04042 0.15159 -0.00143 0.00251 0.00106 26 4PX 0.00157 -0.00194 -0.00025 0.00544 -0.00005 27 4PY -0.00372 0.00163 -0.00750 -0.00683 -0.00408 28 4PZ -0.00215 -0.00154 -0.00781 0.00651 -0.00418 29 5PX -0.00827 -0.02372 0.00116 -0.01400 -0.00073 30 5PY -0.00726 -0.00471 0.02886 0.01935 -0.00894 31 5PZ -0.00572 0.00557 0.02997 -0.01821 -0.00953 32 6PX -0.00644 -0.02841 -0.00100 0.04363 0.00089 33 6PY -0.05666 0.01456 -0.02844 -0.04288 0.01397 34 6PZ -0.06612 -0.01405 -0.03017 0.03981 0.01558 35 7D 0 0.32685 -0.04313 0.28837 -0.20207 -0.00131 36 7D+1 0.22665 -0.23354 0.12432 -0.15507 0.19334 37 7D-1 -0.02684 0.20049 -0.01681 -0.25246 -0.00798 38 7D+2 0.22360 0.10718 0.17194 0.33722 0.01317 39 7D-2 0.06695 0.24402 0.11093 0.13526 0.18355 40 8D 0 0.10933 -0.01365 0.09377 -0.06542 -0.00171 41 8D+1 0.07688 -0.07691 0.04070 -0.04964 0.06259 42 8D-1 -0.00819 0.06458 -0.00547 -0.08143 -0.00253 43 8D+2 0.07466 0.03426 0.05591 0.10919 0.00354 44 8D-2 0.02288 0.08037 0.03634 0.04322 0.05945 45 3 Cu 1S 0.00003 -0.00276 0.00000 -0.00001 0.00001 46 2S 0.00042 -0.11788 0.00028 0.00006 -0.00032 47 3S 0.00156 -0.30542 0.00061 -0.00024 -0.00021 48 4PX -0.00512 0.00560 0.00005 0.00068 -0.00009 49 4PY 0.00617 -0.01112 0.00001 0.00020 -0.00067 50 4PZ 0.00917 0.01068 -0.00008 -0.00016 -0.00061 51 5PX 0.01379 -0.03157 -0.00003 -0.00942 0.00027 52 5PY -0.01673 0.06271 -0.00008 -0.00240 0.00723 53 5PZ -0.02434 -0.05961 0.00022 0.00241 0.00739 54 6PX -0.02618 -0.01152 0.00002 0.02367 -0.00034 55 6PY 0.03159 0.02369 -0.00005 0.00600 -0.01699 56 6PZ 0.04754 -0.02186 0.00005 -0.00618 -0.01799 57 7D 0 -0.16265 -0.00608 0.00149 0.00761 -0.01495 58 7D+1 -0.02057 -0.00987 -0.00038 0.03506 -0.04472 59 7D-1 0.05449 0.01995 -0.00050 0.04256 0.00254 60 7D+2 -0.05235 0.00735 -0.00036 -0.01294 -0.00902 61 7D-2 -0.13289 0.01074 0.00114 -0.03448 -0.04511 62 8D 0 -0.05587 -0.00196 0.00050 0.00305 -0.00453 63 8D+1 -0.00894 -0.00307 -0.00013 0.01196 -0.01575 64 8D-1 0.02016 0.00618 -0.00017 0.01487 0.00084 65 8D+2 -0.01910 0.00226 -0.00012 -0.00516 -0.00279 66 8D-2 -0.04931 0.00335 0.00039 -0.01171 -0.01588 67 4 Cu 1S -0.00294 0.00167 0.00001 0.00010 0.00020 68 2S -0.04514 -0.03040 0.00047 0.02879 0.05093 69 3S -0.08908 0.15130 0.00060 -0.00154 -0.00130 70 4PX -0.00024 -0.00044 0.00888 0.00271 -0.00491 71 4PY 0.00116 0.00135 0.00594 0.00591 0.00395 72 4PZ -0.00428 -0.00260 0.00162 -0.00341 -0.00762 73 5PX -0.00721 0.01060 -0.03414 0.01341 0.00215 74 5PY 0.00591 -0.01095 -0.02295 -0.00283 -0.01953 75 5PZ 0.01565 -0.01914 -0.00624 0.01275 0.01804 76 6PX -0.00080 -0.00139 0.03418 -0.02300 -0.00405 77 6PY -0.00896 0.01015 0.02249 0.00816 0.03785 78 6PZ 0.01357 -0.03405 0.00644 -0.03300 -0.05056 79 7D 0 -0.15496 -0.11840 -0.06600 -0.16179 -0.15485 80 7D+1 -0.03381 -0.18094 -0.23835 -0.04345 0.31370 81 7D-1 0.13493 0.34403 -0.11712 -0.21588 -0.09138 82 7D+2 0.00831 0.07661 -0.21926 0.12966 0.03130 83 7D-2 -0.06587 0.03718 0.13286 0.16246 0.28551 84 8D 0 -0.05185 -0.03980 -0.02154 -0.05249 -0.05056 85 8D+1 -0.01164 -0.05891 -0.07778 -0.01373 0.10107 86 8D-1 0.04521 0.11236 -0.03830 -0.06959 -0.02928 87 8D+2 0.00206 0.02462 -0.07116 0.04298 0.00937 88 8D-2 -0.02382 0.01119 0.04320 0.05182 0.09222 89 5 Cu 1S -0.00001 -0.00216 0.00000 0.00000 -0.00001 90 2S 0.00048 0.02492 -0.00004 0.00004 0.00032 91 3S -0.00011 -0.10936 0.00017 -0.00033 -0.00006 92 4PX -0.00033 -0.00800 0.00006 0.00798 -0.00022 93 4PY 0.00033 0.01612 -0.00005 0.00207 -0.00606 94 4PZ 0.00040 -0.01461 -0.00001 -0.00213 -0.00638 95 5PX 0.00626 0.03813 -0.00027 -0.00015 0.00015 96 5PY -0.00724 -0.07676 0.00016 -0.00020 0.00102 97 5PZ -0.01076 0.07025 0.00000 0.00043 0.00092 98 6PX -0.01479 0.01400 -0.00015 0.04337 -0.00057 99 6PY 0.01711 -0.02710 0.00008 0.01122 -0.03159 100 6PZ 0.02590 0.02652 0.00002 -0.01119 -0.03268 101 7D 0 0.23485 -0.04363 0.00168 -0.01979 0.02722 102 7D+1 -0.10104 -0.13476 -0.00005 -0.06100 0.08536 103 7D-1 0.02393 0.26326 -0.00002 -0.07644 -0.00318 104 7D+2 -0.00243 0.10391 -0.00144 0.03057 0.02032 105 7D-2 -0.06561 0.13831 -0.00014 0.05828 0.08036 106 8D 0 0.07188 -0.01352 0.00053 -0.00506 0.00995 107 8D+1 -0.03037 -0.04172 -0.00002 -0.01898 0.02538 108 8D-1 0.00691 0.08155 -0.00001 -0.02295 -0.00104 109 8D+2 -0.00038 0.03219 -0.00044 0.00766 0.00713 110 8D-2 -0.01896 0.04289 -0.00004 0.01828 0.02384 111 6 Cu 1S -0.00210 -0.00007 0.00002 0.00046 0.00082 112 2S -0.03574 -0.00308 0.00006 -0.04099 -0.07299 113 3S -0.12015 -0.00856 0.00088 -0.05593 -0.09896 114 4PX -0.00384 -0.00114 0.00666 0.00101 -0.00792 115 4PY 0.00621 0.00179 0.00444 0.00713 0.00616 116 4PZ 0.00046 -0.00012 0.00117 0.00189 0.00170 117 5PX 0.01840 0.00359 -0.01141 0.01241 0.02154 118 5PY -0.02567 -0.00624 -0.00736 -0.01692 -0.03021 119 5PZ -0.01272 0.00355 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5PX 0.01130 0.01150 0.03321 0.01325 -0.00211 140 5PY 0.00660 0.01894 -0.00588 -0.01310 0.01846 141 5PZ -0.00173 0.01158 -0.02389 0.00233 -0.01893 142 6PX 0.06531 -0.00045 -0.03328 -0.02240 0.00296 143 6PY -0.00410 0.03418 0.00587 0.03451 -0.05163 144 6PZ -0.05089 -0.00883 0.02391 -0.00639 0.03561 145 7D 0 0.19584 0.01926 -0.21930 -0.04047 -0.05875 146 7D+1 -0.16304 -0.02135 0.11457 -0.17655 0.30104 147 7D-1 -0.22021 0.32695 0.13399 -0.22018 0.08489 148 7D+2 -0.12558 0.16118 0.04502 0.19411 -0.11590 149 7D-2 0.26137 0.17885 -0.24614 0.02952 0.31393 150 8D 0 0.06488 0.00718 -0.07124 -0.01391 -0.01991 151 8D+1 -0.05549 -0.00599 0.03726 -0.05645 0.09720 152 8D-1 -0.07421 0.10667 0.04380 -0.07096 0.02727 153 8D+2 -0.04143 0.05343 0.01449 0.06346 -0.03756 154 8D-2 0.08795 0.05817 -0.08033 0.00918 0.10119 155 8 Cu 1S 0.00099 -0.00004 -0.00002 -0.00091 0.00001 156 2S 0.01684 -0.00396 -0.00010 0.08333 -0.00009 157 3S 0.05632 -0.00852 -0.00079 0.11393 0.00051 158 4PX -0.00128 0.00077 -0.00015 -0.00607 -0.00009 159 4PY 0.00251 0.00147 -0.00559 -0.00665 -0.00399 160 4PZ 0.00708 -0.00140 -0.00584 0.00658 -0.00419 161 5PX 0.01055 0.00074 0.00015 0.02423 -0.00003 162 5PY -0.00429 -0.00578 0.00939 0.02594 -0.00013 163 5PZ -0.02141 0.00571 0.01000 -0.02552 -0.00034 164 6PX -0.01153 0.00067 -0.00037 0.02398 0.00070 165 6PY 0.00717 -0.01005 -0.00918 -0.01858 0.01430 166 6PZ -0.00984 0.00945 -0.00954 0.01703 0.01496 167 7D 0 0.16083 -0.01456 -0.22555 0.06585 -0.26722 168 7D+1 -0.12427 0.07889 0.13433 -0.02083 0.10088 169 7D-1 -0.00812 -0.09482 0.00734 -0.01727 0.01065 170 7D+2 0.02604 0.01257 -0.12331 -0.11070 -0.14887 171 7D-2 -0.00536 -0.08724 0.13610 0.02709 0.10369 172 8D 0 0.05438 -0.00451 -0.07551 0.02253 -0.08906 173 8D+1 -0.04266 0.02691 0.04603 -0.00636 0.03306 174 8D-1 -0.00220 -0.03303 0.00243 -0.00665 0.00356 175 8D+2 0.00991 0.00343 -0.04121 -0.03800 -0.04967 176 8D-2 -0.00123 -0.02970 0.04659 0.00847 0.03400 177 9 C 1S -0.00009 -0.01943 0.00004 -0.00003 -0.00008 178 2S 0.00014 0.04004 -0.00008 0.00006 0.00014 179 3S 0.00057 0.06905 -0.00016 0.00000 0.00039 180 4PX -0.00560 -0.02014 -0.00007 -0.00933 0.00017 181 4PY 0.00706 0.04057 -0.00007 -0.00228 0.00723 182 4PZ 0.01036 -0.03748 0.00016 0.00244 0.00747 183 5PX -0.00154 -0.00164 -0.00004 -0.00605 0.00004 184 5PY 0.00209 0.00305 -0.00001 -0.00156 0.00452 185 5PZ 0.00307 -0.00332 0.00004 0.00162 0.00461 186 10 O 1S 0.00002 0.00397 -0.00001 0.00001 0.00001 187 2S -0.00003 -0.01201 0.00003 -0.00002 -0.00003 188 3S -0.00013 -0.01392 0.00003 -0.00002 0.00003 189 4PX 0.00922 0.01597 0.00015 0.01679 -0.00037 190 4PY -0.01163 -0.03195 0.00004 0.00414 -0.01274 191 4PZ -0.01747 0.03023 -0.00019 -0.00447 -0.01362 192 5PX 0.00510 0.00475 0.00010 0.00999 -0.00020 193 5PY -0.00647 -0.00936 0.00000 0.00247 -0.00751 194 5PZ -0.00966 0.00926 -0.00009 -0.00269 -0.00808 56 57 58 59 60 O O O O O EIGENVALUES -- -0.28483 -0.28480 -0.27430 -0.27425 -0.26745 1 1 Cu 1S 0.00139 -0.00215 0.00157 0.00005 0.00000 2 2S -0.02875 0.04439 0.00835 0.00014 -0.00005 3 3S 0.00115 -0.00210 0.09859 0.00282 0.00001 4 4PX -0.00361 0.00183 0.00135 0.00083 -0.00302 5 4PY -0.00375 0.00641 -0.00349 -0.00028 0.00053 6 4PZ -0.00045 0.00343 0.00280 -0.00046 0.00217 7 5PX 0.00336 -0.00456 -0.01106 -0.02037 -0.00231 8 5PY 0.00443 -0.00677 -0.02672 0.00270 0.00043 9 5PZ 0.00296 -0.00505 -0.01035 0.01418 0.00162 10 6PX -0.03389 -0.02263 -0.01718 0.02468 -0.01130 11 6PY -0.02207 0.04699 0.01192 -0.00407 0.00201 12 6PZ 0.03195 0.00478 -0.02485 -0.01886 0.00814 13 7D 0 -0.03298 -0.02848 0.08996 0.07421 0.13600 14 7D+1 0.04241 -0.00678 -0.13052 -0.00730 -0.09266 15 7D-1 0.00608 0.13608 -0.04464 0.14543 -0.20343 16 7D+2 -0.03618 0.02738 0.22063 -0.09914 0.03132 17 7D-2 -0.13297 -0.01255 -0.11952 -0.18027 0.31468 18 8D 0 -0.01081 -0.00959 0.02906 0.02384 0.04533 19 8D+1 0.01484 -0.00309 -0.04591 -0.00231 -0.03095 20 8D-1 0.00138 0.04823 -0.01515 0.04765 -0.06823 21 8D+2 -0.01326 0.00996 0.07331 -0.03220 0.01065 22 8D-2 -0.04621 -0.00373 -0.04033 -0.05925 0.10546 23 2 Cu 1S 0.00047 0.00097 -0.00050 0.00080 0.00002 24 2S 0.02679 0.05175 -0.00386 0.00652 0.00012 25 3S 0.03121 0.06354 -0.04422 0.07245 0.00064 26 4PX 0.00258 0.00480 -0.00156 0.00225 -0.00031 27 4PY 0.00316 -0.00064 -0.00514 -0.00287 -0.00889 28 4PZ 0.00247 -0.00227 -0.00503 -0.00354 -0.00930 29 5PX -0.01531 -0.03125 0.01484 -0.02242 0.00176 30 5PY 0.00839 -0.00411 0.02070 0.01519 0.05321 31 5PZ 0.00933 -0.00377 0.02371 0.01338 0.05566 32 6PX 0.02736 0.05046 0.03274 -0.05382 0.00124 33 6PY 0.02298 -0.07018 -0.05422 0.01814 0.04493 34 6PZ 0.07028 0.01861 -0.01019 -0.05395 0.04681 35 7D 0 -0.19592 0.04246 -0.05444 0.15931 -0.14463 36 7D+1 0.11953 0.25030 0.15338 -0.10774 0.17252 37 7D-1 -0.12429 -0.26337 0.15912 -0.26425 0.00132 38 7D+2 -0.07942 0.09482 0.18114 -0.24099 -0.07296 39 7D-2 -0.13960 -0.26820 -0.04219 0.19626 0.17093 40 8D 0 -0.06297 0.01327 -0.01773 0.05165 -0.04672 41 8D+1 0.03818 0.08126 0.04991 -0.03491 0.05639 42 8D-1 -0.04186 -0.08837 0.05221 -0.08672 0.00041 43 8D+2 -0.02538 0.03064 0.05878 -0.07828 -0.02355 44 8D-2 -0.04571 -0.08663 -0.01356 0.06377 0.05584 45 3 Cu 1S 0.00002 0.00000 0.00000 -0.00001 0.00000 46 2S 0.00091 -0.00028 0.00011 -0.00001 -0.00002 47 3S 0.00204 -0.00034 0.00045 -0.00015 -0.00016 48 4PX -0.00438 -0.00901 0.00038 -0.00062 0.00002 49 4PY 0.00553 -0.00560 0.00055 0.00014 0.00000 50 4PZ 0.00802 -0.00107 0.00036 0.00047 -0.00001 51 5PX 0.00874 0.01768 -0.00391 0.00604 0.00006 52 5PY -0.01107 0.01097 -0.00562 -0.00129 0.00003 53 5PZ -0.01537 0.00200 -0.00362 -0.00466 -0.00006 54 6PX 0.01214 0.02526 0.02024 -0.03068 -0.00004 55 6PY -0.01553 0.01577 0.02800 0.00662 0.00004 56 6PZ -0.02256 0.00329 0.01874 0.02314 0.00003 57 7D 0 -0.34011 -0.00366 0.07906 0.08709 0.00007 58 7D+1 0.08905 0.08012 0.09257 -0.04116 -0.00039 59 7D-1 0.01038 -0.00990 0.02730 -0.05700 -0.00075 60 7D+2 -0.03334 0.31387 0.08834 -0.01143 0.00006 61 7D-2 -0.01415 -0.14026 -0.00495 0.10200 0.00063 62 8D 0 -0.11429 -0.00177 0.02556 0.02742 0.00002 63 8D+1 0.03087 0.02528 0.03121 -0.01311 -0.00012 64 8D-1 0.00280 -0.00459 0.00935 -0.01929 -0.00024 65 8D+2 -0.01065 0.10606 0.02790 -0.00292 0.00002 66 8D-2 -0.00294 -0.04692 -0.00086 0.03397 0.00019 67 4 Cu 1S -0.00110 -0.00006 -0.00044 -0.00084 -0.00002 68 2S -0.05718 -0.00380 -0.00347 -0.00676 -0.00012 69 3S -0.07097 -0.00369 -0.03903 -0.07450 -0.00039 70 4PX 0.00239 -0.00355 -0.00572 0.00417 0.01060 71 4PY -0.00196 -0.00266 -0.00458 0.00135 0.00710 72 4PZ -0.00462 -0.00084 -0.00219 -0.00151 0.00193 73 5PX -0.01016 -0.01213 0.02399 -0.02059 -0.06349 74 5PY 0.00791 -0.00695 0.01987 -0.00605 -0.04246 75 5PZ 0.03252 -0.00053 0.01693 0.02013 -0.01145 76 6PX -0.01289 -0.06253 -0.03373 0.02814 -0.05342 77 6PY 0.04732 -0.03929 -0.04186 -0.01699 -0.03574 78 6PZ -0.07738 -0.01453 0.03063 0.07340 -0.00937 79 7D 0 -0.30966 0.00668 0.20418 0.32710 -0.04258 80 7D+1 -0.11822 0.07755 0.03193 -0.12831 -0.11637 81 7D-1 0.35089 0.04346 0.07831 0.02550 -0.11973 82 7D+2 0.09006 0.18937 0.06898 0.12712 0.22675 83 7D-2 0.11448 -0.08715 0.12803 0.28080 -0.06662 84 8D 0 -0.10072 0.00227 0.06627 0.10608 -0.01396 85 8D+1 -0.03838 0.02541 0.01043 -0.04176 -0.03824 86 8D-1 0.11478 0.01451 0.02570 0.00860 -0.03916 87 8D+2 0.03058 0.06050 0.02245 0.04172 0.07357 88 8D-2 0.03998 -0.02774 0.04201 0.09194 -0.02153 89 5 Cu 1S 0.00004 -0.00002 0.00003 0.00001 0.00000 90 2S -0.00088 0.00029 -0.00080 -0.00057 -0.00003 91 3S 0.00038 0.00034 -0.00058 0.00005 -0.00001 92 4PX -0.00898 -0.01881 0.01261 -0.01920 -0.00004 93 4PY 0.01108 -0.01154 0.01739 0.00404 0.00000 94 4PZ 0.01692 -0.00221 0.01174 0.01463 0.00000 95 5PX 0.03634 0.07531 -0.07144 0.10890 0.00011 96 5PY -0.04527 0.04671 -0.09912 -0.02318 0.00003 97 5PZ -0.06753 0.00888 -0.06624 -0.08245 -0.00001 98 6PX 0.02224 0.04683 0.00781 -0.01181 -0.00039 99 6PY -0.02824 0.02932 0.01110 0.00262 0.00005 100 6PZ -0.04240 0.00615 0.00705 0.00876 0.00028 101 7D 0 -0.17724 0.04156 -0.12486 -0.14692 -0.00116 102 7D+1 -0.02868 0.17564 -0.13268 0.06881 0.00028 103 7D-1 0.06029 0.09740 -0.03815 0.08053 -0.00063 104 7D+2 -0.06189 0.11606 -0.14533 0.02643 0.00121 105 7D-2 -0.15405 -0.09080 0.01512 -0.15143 0.00032 106 8D 0 -0.05690 0.01211 -0.03890 -0.04618 -0.00033 107 8D+1 -0.00708 0.05267 -0.04061 0.02154 0.00008 108 8D-1 0.01781 0.02846 -0.01161 0.02466 -0.00017 109 8D+2 -0.01868 0.03862 -0.04571 0.00864 0.00035 110 8D-2 -0.04549 -0.02871 0.00510 -0.04675 0.00009 111 6 Cu 1S -0.00259 -0.00015 -0.00076 -0.00140 0.00001 112 2S 0.05332 0.00380 -0.00413 -0.00779 -0.00038 113 3S -0.00212 0.00112 -0.04716 -0.08800 0.00053 114 4PX 0.00343 -0.00182 -0.00134 -0.00087 0.00303 115 4PY -0.00292 -0.00163 0.00093 0.00287 0.00206 116 4PZ -0.00757 -0.00080 -0.00169 -0.00287 0.00055 117 5PX -0.00543 -0.00019 0.02335 0.00018 0.00207 118 5PY 0.00572 0.00094 0.00757 -0.01484 0.00157 119 5PZ 0.00848 0.00058 -0.00954 -0.02557 0.00034 120 6PX 0.00103 -0.04181 -0.01535 0.02615 0.01160 121 6PY 0.01698 -0.02719 -0.02782 -0.01536 0.00769 122 6PZ -0.05006 -0.00974 0.00069 0.01077 0.00204 123 7D 0 -0.03003 0.03330 0.05732 0.23707 0.09435 124 7D+1 -0.06581 0.11695 -0.21845 -0.01826 0.31323 125 7D-1 0.10974 0.07699 -0.10707 0.09570 0.18690 126 7D+2 0.03065 0.03750 0.07626 -0.08126 0.10971 127 7D-2 0.03380 -0.03568 -0.06321 -0.10688 -0.10190 128 8D 0 -0.01089 0.01148 0.01909 0.07835 0.03164 129 8D+1 -0.02336 0.04032 -0.07227 -0.00702 0.10500 130 8D-1 0.03933 0.02676 -0.03475 0.03191 0.06271 131 8D+2 0.01121 0.01226 0.02404 -0.02732 0.03650 132 8D-2 0.01245 -0.01199 -0.02192 -0.03781 -0.03405 133 7 Cu 1S 0.00058 -0.00090 0.00095 0.00003 0.00000 134 2S 0.03174 -0.04828 0.00765 0.00029 -0.00013 135 3S 0.03862 -0.06012 0.08551 0.00350 -0.00015 136 4PX -0.00445 -0.00003 -0.00143 0.00672 -0.01013 137 4PY -0.00201 0.00419 -0.00220 -0.00129 0.00177 138 4PZ 0.00102 0.00337 -0.00089 -0.00492 0.00728 139 5PX -0.00244 -0.01616 0.00931 -0.02933 0.06100 140 5PY 0.01878 -0.02537 0.02449 0.00609 -0.01067 141 5PZ 0.01140 -0.00322 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161 5PX -0.00507 -0.00980 -0.01599 0.02596 -0.00011 162 5PY -0.00177 -0.00261 0.01345 0.01084 -0.00202 163 5PZ 0.00130 0.00313 0.01678 0.00732 -0.00177 164 6PX 0.02011 0.03777 -0.00121 0.00086 -0.00029 165 6PY 0.02118 -0.03623 -0.03109 0.00821 -0.00974 166 6PZ 0.04202 0.00156 -0.00709 -0.03091 -0.01023 167 7D 0 -0.06641 0.05390 -0.06381 0.12442 -0.22574 168 7D+1 -0.04738 0.09930 -0.15565 -0.11071 -0.22382 169 7D-1 -0.03132 -0.07912 -0.05936 0.10529 0.01345 170 7D+2 -0.06543 -0.01329 0.12053 -0.19755 -0.14276 171 7D-2 -0.10198 -0.02736 -0.16649 -0.07203 -0.20738 172 8D 0 -0.02231 0.01839 -0.02183 0.04130 -0.07543 173 8D+1 -0.01620 0.03512 -0.05157 -0.03529 -0.07512 174 8D-1 -0.01150 -0.02863 -0.02087 0.03683 0.00451 175 8D+2 -0.02240 -0.00506 0.04002 -0.06612 -0.04773 176 8D-2 -0.03582 -0.01010 -0.05392 -0.02440 -0.06962 177 9 C 1S 0.00028 -0.00004 0.00008 0.00008 -0.00001 178 2S -0.00043 0.00003 -0.00007 -0.00013 0.00002 179 3S -0.00213 0.00052 -0.00094 -0.00079 0.00005 180 4PX 0.01381 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-0.00214 0.02452 0.00514 -0.00467 25 3S 0.02477 -0.04145 0.00928 0.07667 -0.05830 26 4PX -0.00571 0.01000 -0.01224 0.00550 -0.00441 27 4PY 0.01425 -0.00044 0.00483 -0.01068 0.00219 28 4PZ 0.00718 0.01223 -0.00474 0.00413 -0.00967 29 5PX 0.02548 -0.04491 0.05193 -0.03689 0.02915 30 5PY -0.06767 0.00962 -0.02830 0.04441 -0.00406 31 5PZ -0.02756 -0.06128 0.02759 -0.01186 0.04143 32 6PX 0.00661 -0.01130 0.02227 -0.03716 0.02878 33 6PY -0.02086 0.01172 -0.01811 0.02134 -0.00761 34 6PZ -0.00034 -0.02285 0.01675 -0.01051 0.01773 35 7D 0 0.01540 0.09078 0.00108 0.11668 -0.00375 36 7D+1 -0.07023 0.00425 -0.06138 0.00505 0.02551 37 7D-1 0.04377 -0.07276 0.04618 -0.17712 0.13396 38 7D+2 0.09272 -0.09727 0.00452 -0.11753 0.14286 39 7D-2 -0.03115 -0.05827 0.06604 0.02251 0.00620 40 8D 0 0.00582 0.02924 -0.00015 0.03662 -0.00254 41 8D+1 -0.02139 0.00250 -0.01888 0.00185 0.00921 42 8D-1 0.01328 -0.02223 0.01300 -0.05578 0.04223 43 8D+2 0.02990 -0.03032 0.00207 -0.03836 0.04527 44 8D-2 -0.00855 -0.01832 0.02023 0.00820 0.00244 45 3 Cu 1S 0.00007 0.00001 0.00313 0.00002 -0.00001 46 2S -0.00109 -0.00009 -0.03423 -0.00052 -0.00032 47 3S 0.00218 0.00024 0.12539 -0.00003 -0.00124 48 4PX 0.00225 -0.00359 0.00159 -0.00312 0.00254 49 4PY 0.00312 0.00065 -0.00328 0.00099 0.00294 50 4PZ 0.00231 0.00261 0.00300 0.00278 0.00180 51 5PX 0.00749 -0.01192 0.01110 -0.00165 0.00126 52 5PY 0.01032 0.00219 -0.02254 0.00058 0.00180 53 5PZ 0.00772 0.00871 0.02103 0.00138 0.00076 54 6PX 0.00766 -0.01264 0.00244 -0.01307 0.01053 55 6PY 0.01114 0.00232 -0.00519 0.00431 0.01248 56 6PZ 0.00773 0.00920 0.00467 0.01139 0.00736 57 7D 0 -0.10607 -0.13703 -0.01580 -0.19245 -0.07152 58 7D+1 -0.06964 0.06333 -0.05431 0.07454 0.03334 59 7D-1 -0.01290 0.04176 0.11105 -0.03049 0.03018 60 7D+2 -0.13649 0.04761 0.04557 0.08362 -0.18824 61 7D-2 0.03214 -0.09634 0.05877 0.00437 0.08932 62 8D 0 -0.03386 -0.04455 -0.00523 -0.06479 -0.02428 63 8D+1 -0.02074 0.02039 -0.01795 0.02506 0.01055 64 8D-1 -0.00353 0.01233 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0.04379 0.02303 85 8D+1 -0.02311 -0.02187 -0.01053 -0.03705 0.00254 86 8D-1 0.00886 0.03752 0.02377 0.03798 0.02349 87 8D+2 0.03021 -0.00342 0.00411 0.02229 0.02659 88 8D-2 -0.00246 0.01325 0.00094 0.05335 0.01166 89 5 Cu 1S -0.00005 -0.00001 -0.00155 0.00002 0.00003 90 2S 0.00027 0.00010 0.01316 0.00003 -0.00017 91 3S -0.00303 -0.00010 -0.14760 0.00026 0.00101 92 4PX -0.00307 0.00500 -0.00005 0.00907 -0.00742 93 4PY -0.00443 -0.00093 0.00000 -0.00296 -0.00865 94 4PZ -0.00310 -0.00365 -0.00006 -0.00797 -0.00528 95 5PX 0.00955 -0.01573 0.01630 -0.05323 0.04312 96 5PY 0.01346 0.00320 -0.03145 0.01754 0.05099 97 5PZ 0.00988 0.01144 0.03012 0.04646 0.03037 98 6PX -0.01797 0.02796 -0.00086 -0.05552 0.04526 99 6PY -0.02597 -0.00492 0.00401 0.01814 0.05298 100 6PZ -0.01751 -0.01981 -0.00170 0.04842 0.03170 101 7D 0 0.05549 0.08601 -0.00870 -0.07386 -0.02268 102 7D+1 0.01072 -0.03605 -0.02344 0.02905 0.02630 103 7D-1 -0.00134 -0.00484 0.04903 -0.01980 0.01736 104 7D+2 0.08480 -0.04036 0.01745 0.03677 -0.07176 105 7D-2 -0.03059 0.03116 0.02747 0.01420 0.03728 106 8D 0 0.01638 0.02552 -0.00258 -0.02057 -0.00664 107 8D+1 0.00291 -0.01067 -0.00692 0.00806 0.00619 108 8D-1 -0.00049 -0.00124 0.01445 -0.00483 0.00433 109 8D+2 0.02518 -0.01207 0.00514 0.00985 -0.01990 110 8D-2 -0.00918 0.00901 0.00809 0.00291 0.01007 111 6 Cu 1S -0.00045 -0.00075 -0.00118 0.00269 0.00111 112 2S 0.00984 0.01633 0.04102 -0.04407 -0.01860 113 3S -0.01401 -0.02410 0.01721 0.07653 0.03057 114 4PX -0.00043 0.00166 0.00306 -0.00331 -0.00060 115 4PY -0.00139 -0.00073 -0.00392 0.00352 0.00203 116 4PZ -0.00115 -0.00156 -0.00224 0.00303 0.00142 117 5PX -0.01540 0.01652 -0.00722 -0.00072 -0.01316 118 5PY -0.01970 -0.00564 0.00836 0.00631 -0.00647 119 5PZ 0.00538 0.01712 0.01086 0.01887 0.00535 120 6PX -0.00489 0.00019 -0.00591 0.02060 -0.02509 121 6PY -0.00192 0.00188 0.00630 -0.00612 -0.02522 122 6PZ 0.00472 0.01013 0.00813 0.00544 -0.00370 123 7D 0 -0.04042 -0.04499 -0.21848 -0.11265 0.10919 124 7D+1 0.05396 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0.05374 144 6PZ -0.01820 -0.01030 0.01387 0.00462 -0.01153 145 7D 0 0.06221 0.07337 0.01633 0.07063 0.13226 146 7D+1 0.02964 -0.02344 -0.00508 -0.00424 0.16735 147 7D-1 -0.12040 0.03752 0.07592 -0.04718 -0.15003 148 7D+2 0.04215 -0.05547 0.05606 -0.00314 0.07418 149 7D-2 -0.09999 -0.03106 0.03489 0.03498 -0.12603 150 8D 0 0.01913 0.02378 0.00496 0.02097 0.04269 151 8D+1 0.00830 -0.00787 -0.00043 -0.00088 0.05273 152 8D-1 -0.03818 0.01075 0.02320 -0.01558 -0.04723 153 8D+2 0.01306 -0.01729 0.01638 0.00022 0.02450 154 8D-2 -0.03176 -0.00814 0.01108 0.01149 -0.04029 155 8 Cu 1S -0.00046 0.00075 -0.00117 -0.00230 0.00179 156 2S 0.01010 -0.01616 0.04102 0.03730 -0.02981 157 3S -0.01468 0.02437 0.01761 -0.06630 0.05008 158 4PX -0.00129 0.00208 -0.00388 -0.00386 0.00312 159 4PY -0.00124 0.00005 -0.00270 -0.00162 0.00211 160 4PZ -0.00052 -0.00116 0.00274 0.00244 -0.00113 161 5PX 0.00502 -0.00962 0.01424 -0.01678 0.01226 162 5PY -0.02342 0.00409 0.00464 -0.00540 -0.00906 163 5PZ -0.00891 -0.02210 -0.00452 -0.00687 -0.00770 164 6PX 0.00540 -0.00962 0.01057 0.00154 -0.00234 165 6PY -0.00364 -0.00033 0.00348 -0.00590 -0.02892 166 6PZ -0.00279 -0.00340 -0.00402 -0.02658 -0.01355 167 7D 0 -0.16164 -0.21809 0.12452 0.13162 0.15387 168 7D+1 0.09796 -0.08064 -0.01136 0.31424 0.24190 169 7D-1 -0.23270 0.43079 0.42739 -0.01708 -0.01529 170 7D+2 -0.24034 0.12594 -0.16758 0.06920 0.12199 171 7D-2 -0.01637 0.13352 0.03638 0.14401 0.35333 172 8D 0 -0.05341 -0.07253 0.04116 0.04426 0.04978 173 8D+1 0.03138 -0.02747 -0.00388 0.10278 0.07848 174 8D-1 -0.07664 0.14197 0.13987 -0.00587 -0.00479 175 8D+2 -0.07994 0.04207 -0.05550 0.02096 0.04141 176 8D-2 -0.00653 0.04365 0.01214 0.04657 0.11536 177 9 C 1S -0.00013 -0.00002 -0.00322 -0.00005 -0.00006 178 2S 0.00023 -0.00003 0.00956 0.00012 0.00013 179 3S 0.00101 0.00040 0.00837 0.00049 0.00058 180 4PX 0.00510 -0.00829 -0.00365 -0.00258 0.00204 181 4PY 0.00764 0.00147 0.00730 0.00094 0.00258 182 4PZ 0.00501 0.00606 -0.00668 0.00221 0.00146 183 5PX -0.00129 0.00257 0.00763 0.00541 -0.00439 184 5PY -0.00232 -0.00052 -0.01520 -0.00175 -0.00497 185 5PZ -0.00137 -0.00204 0.01424 -0.00480 -0.00318 186 10 O 1S 0.00004 0.00001 0.00098 -0.00001 -0.00001 187 2S -0.00004 -0.00001 -0.00102 0.00002 0.00002 188 3S -0.00048 -0.00016 -0.01290 0.00001 0.00006 189 4PX -0.00487 0.00772 0.00264 0.00684 -0.00567 190 4PY -0.00712 -0.00134 -0.00545 -0.00222 -0.00658 191 4PZ -0.00474 -0.00559 0.00486 -0.00613 -0.00412 192 5PX -0.00134 0.00202 0.00056 0.00329 -0.00273 193 5PY -0.00194 -0.00033 -0.00133 -0.00109 -0.00323 194 5PZ -0.00124 -0.00141 0.00098 -0.00288 -0.00194 66 67 68 69 70 O O O O O EIGENVALUES -- -0.26127 -0.25855 -0.25852 -0.25776 -0.25770 1 1 Cu 1S -0.00077 0.00041 0.00009 -0.00154 -0.00024 2 2S -0.03517 -0.04143 -0.00800 -0.01067 -0.00181 3 3S -0.10417 -0.12535 -0.02373 -0.08436 -0.01357 4 4PX -0.00390 -0.00656 -0.00108 -0.00103 -0.00203 5 4PY -0.00344 -0.00698 -0.00139 0.00117 0.00048 6 4PZ -0.00458 -0.00734 -0.00155 -0.00232 0.00095 7 5PX 0.02382 0.03913 0.00009 0.01695 0.00779 8 5PY 0.02077 0.03456 0.00808 -0.01842 -0.00350 9 5PZ 0.02814 0.04302 0.01351 0.02985 0.00112 10 6PX 0.01182 0.01865 -0.00870 -0.00360 0.03048 11 6PY 0.01900 0.00767 0.00356 0.00920 -0.00412 12 6PZ 0.01221 0.01921 0.01253 0.00264 -0.02176 13 7D 0 0.03242 0.05742 0.13104 0.19714 0.09457 14 7D+1 0.11957 0.41132 0.02935 -0.13000 -0.05804 15 7D-1 0.35180 0.31278 0.04854 0.14442 -0.05156 16 7D+2 0.10351 0.00683 -0.05744 0.46547 0.07521 17 7D-2 0.23587 0.27674 0.10330 -0.10576 0.10405 18 8D 0 0.01091 0.01868 0.04351 0.06505 0.03191 19 8D+1 0.03961 0.13523 0.00951 -0.04251 -0.01936 20 8D-1 0.11481 0.10308 0.01634 0.04723 -0.01692 21 8D+2 0.03396 0.00229 -0.01928 0.15349 0.02438 22 8D-2 0.07699 0.09129 0.03371 -0.03510 0.03429 23 2 Cu 1S 0.00110 0.00036 -0.00043 0.00051 -0.00064 24 2S -0.05706 -0.03004 0.03559 0.00905 -0.01130 25 3S 0.08132 0.00630 -0.00840 0.03350 -0.04125 26 4PX -0.00309 0.00246 -0.00291 0.00119 -0.00188 27 4PY 0.00597 0.00020 -0.00239 -0.00806 -0.00370 28 4PZ -0.00562 -0.00229 0.00058 -0.00558 -0.00741 29 5PX 0.00276 -0.00933 0.01209 0.00107 0.00060 30 5PY -0.03088 0.00754 0.03166 0.03169 0.03132 31 5PZ 0.03012 0.03251 0.00378 0.03827 0.02637 32 6PX 0.00242 -0.00885 0.01079 0.02837 -0.03594 33 6PY -0.01959 0.00791 0.01573 -0.03043 0.02966 34 6PZ 0.01915 0.01706 0.00556 0.02010 -0.03371 35 7D 0 -0.02901 -0.12400 -0.10049 -0.08189 -0.14302 36 7D+1 0.01488 0.13131 -0.01933 -0.10245 0.05621 37 7D-1 0.15713 0.10542 -0.11654 -0.08508 0.11915 38 7D+2 0.05469 -0.05304 -0.07136 -0.13369 0.02352 39 7D-2 -0.01238 -0.00062 0.13516 0.03738 -0.10781 40 8D 0 -0.00995 -0.03944 -0.03190 -0.02686 -0.04535 41 8D+1 0.00533 0.03906 -0.00706 -0.03229 0.01751 42 8D-1 0.04938 0.03280 -0.03612 -0.02759 0.03859 43 8D+2 0.01859 -0.01696 -0.02280 -0.04214 0.00649 44 8D-2 -0.00475 -0.00136 0.04050 0.01153 -0.03381 45 3 Cu 1S 0.00152 -0.00002 -0.00001 0.00000 0.00000 46 2S -0.08441 0.00100 0.00049 0.00016 0.00013 47 3S -0.03065 0.00053 0.00034 -0.00006 0.00021 48 4PX 0.00282 0.00084 -0.00097 -0.00147 0.00175 49 4PY -0.00566 0.00102 0.00042 -0.00165 -0.00059 50 4PZ 0.00529 0.00047 0.00089 -0.00099 -0.00158 51 5PX -0.00412 -0.00046 0.00062 0.00423 -0.00504 52 5PY 0.00807 -0.00077 -0.00036 0.00490 0.00171 53 5PZ -0.00770 -0.00021 -0.00052 0.00288 0.00459 54 6PX -0.00859 -0.00076 0.00094 0.01303 -0.01546 55 6PY 0.01694 -0.00122 -0.00063 0.01487 0.00531 56 6PZ -0.01617 -0.00047 -0.00093 0.00882 0.01387 57 7D 0 0.02059 0.01100 -0.08399 0.06158 -0.02851 58 7D+1 0.05981 0.13274 0.04247 0.24212 0.02389 59 7D-1 -0.11689 0.07374 -0.08399 0.10837 -0.14873 60 7D+2 -0.04574 -0.09004 0.07486 -0.03922 0.09477 61 7D-2 -0.06245 0.06421 0.11954 0.07200 0.22348 62 8D 0 0.00689 0.00362 -0.02825 0.02109 -0.00795 63 8D+1 0.02001 0.04443 0.01427 0.08049 0.00737 64 8D-1 -0.03912 0.02469 -0.02811 0.03588 -0.04937 65 8D+2 -0.01531 -0.03027 0.02509 -0.01157 0.03095 66 8D-2 -0.02090 0.02155 0.03999 0.02330 0.07448 67 4 Cu 1S 0.00113 0.00017 0.00053 0.00030 0.00077 68 2S -0.05740 -0.01452 -0.04395 0.00490 0.01330 69 3S 0.08251 0.00254 0.00915 0.01943 0.04883 70 4PX -0.00298 -0.00239 -0.00173 -0.00927 0.00461 71 4PY 0.00586 -0.00016 0.00325 -0.00710 0.00066 72 4PZ -0.00559 0.00058 0.00257 -0.00051 0.00365 73 5PX 0.02022 0.03529 0.00579 0.05014 -0.01710 74 5PY -0.03375 0.01238 -0.03006 0.03100 -0.01716 75 5PZ 0.01696 0.00352 -0.00669 0.00934 -0.00149 76 6PX 0.01276 0.02066 0.00226 -0.00108 0.01468 77 6PY -0.02151 0.00894 -0.01389 -0.01736 -0.03224 78 6PZ 0.01144 -0.00042 -0.01060 0.02155 0.05868 79 7D 0 0.04415 0.03921 0.07352 -0.08606 -0.14377 80 7D+1 -0.03024 0.03324 0.02316 -0.09296 0.05070 81 7D-1 0.06332 0.03967 -0.04861 -0.03947 0.02204 82 7D+2 0.06219 -0.16889 0.12871 -0.14187 -0.01281 83 7D-2 0.13122 0.12836 0.14600 0.00769 -0.17690 84 8D 0 0.01572 0.01141 0.02295 -0.02690 -0.04439 85 8D+1 -0.00998 0.00794 0.00777 -0.02985 0.01591 86 8D-1 0.01972 0.01097 -0.01422 -0.01272 0.00663 87 8D+2 0.01964 -0.05264 0.04002 -0.04574 -0.00411 88 8D-2 0.04141 0.04031 0.04498 0.00245 -0.05691 89 5 Cu 1S -0.00049 -0.00001 -0.00001 0.00000 0.00000 90 2S -0.01349 -0.00001 0.00000 0.00003 -0.00010 91 3S 0.00375 -0.00088 -0.00027 0.00081 0.00029 92 4PX -0.00247 0.00243 -0.00274 0.00795 -0.00935 93 4PY 0.00517 0.00252 0.00101 0.00904 0.00323 94 4PZ -0.00459 0.00140 0.00258 0.00544 0.00843 95 5PX -0.00463 0.00551 -0.00559 -0.03519 0.04108 96 5PY 0.00880 0.00575 0.00256 -0.03966 -0.01397 97 5PZ -0.00868 0.00380 0.00571 -0.02377 -0.03692 98 6PX 0.00407 -0.00710 0.00738 0.02043 -0.02424 99 6PY -0.00850 -0.00763 -0.00310 0.02349 0.00850 100 6PZ 0.00665 -0.00438 -0.00721 0.01384 0.02173 101 7D 0 -0.00728 0.01782 0.05176 0.01392 -0.08769 102 7D+1 -0.02895 -0.00397 -0.02041 0.16164 0.04158 103 7D-1 0.05644 -0.00682 0.00455 0.07897 -0.10192 104 7D+2 0.02329 0.05074 -0.01741 -0.09323 0.08747 105 7D-2 0.03034 -0.02367 0.00029 0.07689 0.13886 106 8D 0 -0.00238 0.00446 0.01473 0.00354 -0.02546 107 8D+1 -0.00936 -0.00322 -0.00601 0.04536 0.01198 108 8D-1 0.01821 -0.00294 0.00253 0.02228 -0.02868 109 8D+2 0.00750 0.01462 -0.00569 -0.02705 0.02489 110 8D-2 0.00980 -0.00720 -0.00190 0.02197 0.03894 111 6 Cu 1S -0.00081 -0.00013 -0.00038 0.00057 0.00147 112 2S -0.03305 0.01415 0.04059 0.00425 0.00964 113 3S -0.10185 0.04267 0.12265 0.03181 0.07945 114 4PX -0.00345 0.00191 0.00602 0.00229 0.00048 115 4PY 0.00425 -0.00254 -0.00701 0.00032 -0.00247 116 4PZ 0.00351 -0.00257 -0.00725 0.00067 0.00096 117 5PX 0.02183 -0.00505 -0.03709 -0.01157 -0.01439 118 5PY -0.02648 0.01923 0.04078 0.00820 0.02977 119 5PZ -0.02183 0.01419 0.03621 -0.00698 -0.01562 120 6PX 0.01089 0.00647 -0.01904 -0.02983 0.01081 121 6PY -0.01062 0.01492 0.01772 -0.01984 0.00696 122 6PZ -0.01962 0.00548 0.00878 -0.00214 0.00945 123 7D 0 -0.07026 0.00820 -0.00210 0.22058 0.45736 124 7D+1 -0.23132 0.14480 0.26870 0.09303 -0.12020 125 7D-1 0.35703 -0.10899 -0.33083 0.00687 -0.17897 126 7D+2 0.03311 0.14929 0.04126 0.02471 -0.08561 127 7D-2 -0.08955 0.07031 0.38571 -0.08953 -0.11111 128 8D 0 -0.02326 0.00254 -0.00076 0.07274 0.15089 129 8D+1 -0.07549 0.04735 0.08867 0.03062 -0.03979 130 8D-1 0.11653 -0.03623 -0.10895 0.00225 -0.05866 131 8D+2 0.01060 0.04959 0.01331 0.00891 -0.02828 132 8D-2 -0.02976 0.02296 0.12683 -0.02968 -0.03625 133 7 Cu 1S 0.00109 -0.00056 -0.00011 -0.00083 -0.00013 134 2S -0.05612 0.04668 0.00945 -0.01395 -0.00197 135 3S 0.08120 -0.01072 -0.00209 -0.05357 -0.00814 136 4PX -0.00302 0.00231 0.00221 -0.00217 0.00963 137 4PY 0.00632 0.00228 0.00013 0.00340 -0.00123 138 4PZ -0.00566 0.00334 -0.00059 -0.00077 -0.00727 139 5PX 0.02027 -0.01200 -0.03411 0.00424 -0.05067 140 5PY -0.02071 -0.00420 0.00470 0.00147 0.00924 141 5PZ 0.03306 -0.02859 0.01717 -0.01013 0.03531 142 6PX 0.01234 -0.00572 -0.02001 -0.01360 0.00385 143 6PY -0.01342 -0.00963 0.00099 0.06354 0.00868 144 6PZ 0.02072 -0.01339 0.01118 -0.03227 -0.00920 145 7D 0 -0.06983 0.12609 -0.15215 -0.11586 -0.13414 146 7D+1 -0.13032 0.17371 0.10005 -0.17067 0.03300 147 7D-1 0.07602 0.02519 -0.04381 0.00081 0.05770 148 7D+2 -0.00569 0.02367 0.11916 -0.11350 0.01370 149 7D-2 0.04112 0.01849 0.01738 0.04323 -0.10528 150 8D 0 -0.02296 0.03917 -0.04770 -0.03627 -0.04307 151 8D+1 -0.04113 0.05367 0.03152 -0.05497 0.01061 152 8D-1 0.02389 0.00715 -0.01203 0.00060 0.01847 153 8D+2 -0.00337 0.00735 0.03639 -0.03480 0.00477 154 8D-2 0.01345 0.00597 0.00301 0.01345 -0.03377 155 8 Cu 1S -0.00079 -0.00025 0.00030 0.00097 -0.00123 156 2S -0.03388 0.02842 -0.03197 0.00651 -0.00789 157 3S -0.10227 0.08613 -0.09705 0.05241 -0.06590 158 4PX 0.00535 -0.00706 0.00796 0.00018 -0.00018 159 4PY 0.00279 -0.00306 0.00323 0.00000 0.00251 160 4PZ -0.00280 0.00287 -0.00350 0.00249 -0.00043 161 5PX -0.03303 0.03787 -0.04232 -0.00289 0.00308 162 5PY -0.01704 0.02339 -0.01716 0.01422 -0.02454 163 5PZ 0.01764 -0.01402 0.02583 -0.02043 0.01812 164 6PX -0.02399 0.01285 -0.01380 0.00414 -0.00624 165 6PY -0.00459 0.01811 -0.00439 -0.02219 -0.01478 166 6PZ 0.00581 -0.00162 0.01861 -0.02010 -0.01903 167 7D 0 -0.08811 0.19857 -0.02973 -0.05409 0.22791 168 7D+1 -0.27661 0.21818 -0.25713 0.19394 -0.10323 169 7D-1 0.08136 0.13848 -0.16813 -0.15685 0.18508 170 7D+2 0.17827 -0.12285 0.24615 0.25691 -0.21969 171 7D-2 0.27646 -0.22940 0.24178 -0.08946 0.23777 172 8D 0 -0.02867 0.06564 -0.00967 -0.01737 0.07560 173 8D+1 -0.09055 0.07145 -0.08495 0.06369 -0.03413 174 8D-1 0.02604 0.04542 -0.05514 -0.05144 0.06065 175 8D+2 0.05802 -0.04043 0.08125 0.08513 -0.07241 176 8D-2 0.09052 -0.07586 0.07930 -0.02965 0.07816 177 9 C 1S -0.01342 0.00010 0.00007 0.00007 0.00002 178 2S 0.02795 -0.00023 -0.00019 -0.00023 -0.00012 179 3S 0.07752 -0.00050 -0.00022 -0.00010 0.00013 180 4PX -0.01336 -0.00027 0.00070 -0.00361 0.00409 181 4PY 0.02696 -0.00058 -0.00038 -0.00426 -0.00140 182 4PZ -0.02426 -0.00004 -0.00047 -0.00235 -0.00363 183 5PX -0.00442 -0.00152 0.00200 -0.00280 0.00360 184 5PY 0.00908 -0.00186 -0.00084 -0.00325 -0.00133 185 5PZ -0.00776 -0.00084 -0.00185 -0.00202 -0.00331 186 10 O 1S 0.00192 0.00000 0.00000 -0.00001 0.00000 187 2S -0.00599 0.00003 0.00002 0.00005 0.00003 188 3S -0.00677 -0.00012 -0.00009 -0.00008 -0.00014 189 4PX 0.00783 0.00269 -0.00337 0.00679 -0.00772 190 4PY -0.01585 0.00293 0.00134 0.00770 0.00260 191 4PZ 0.01385 0.00158 0.00319 0.00461 0.00703 192 5PX 0.00333 0.00211 -0.00258 0.00447 -0.00516 193 5PY -0.00679 0.00225 0.00100 0.00498 0.00171 194 5PZ 0.00573 0.00127 0.00249 0.00312 0.00481 71 72 73 74 75 O O O O O EIGENVALUES -- -0.25688 -0.25263 -0.25261 -0.25257 -0.24845 1 1 Cu 1S 0.00000 0.00077 0.00017 0.00004 -0.00147 2 2S -0.00025 -0.04865 -0.00031 0.02684 0.04632 3 3S -0.00082 -0.03480 0.00682 0.03804 -0.05024 4 4PX -0.00037 -0.00726 0.00422 0.00266 0.00198 5 4PY 0.00004 0.00337 -0.00206 -0.00527 0.00246 6 4PZ 0.00018 -0.00917 -0.00234 0.00812 0.00261 7 5PX 0.00174 0.02357 -0.02701 -0.00819 0.00843 8 5PY -0.00026 -0.02356 0.01200 0.03250 -0.00830 9 5PZ -0.00073 0.02792 0.01247 -0.03841 0.01126 10 6PX -0.00652 0.01372 -0.01363 -0.00385 0.01243 11 6PY 0.00122 0.00372 0.00759 0.01127 -0.04592 12 6PZ 0.00484 0.01253 0.00686 -0.01775 0.03248 13 7D 0 0.00655 0.19684 0.22464 -0.28416 -0.02695 14 7D+1 0.03118 0.32457 -0.07761 -0.09987 0.09657 15 7D-1 0.18088 -0.06593 0.05760 0.01278 -0.08104 16 7D+2 -0.08876 0.22551 -0.19433 -0.17045 -0.09794 17 7D-2 -0.23961 -0.07015 0.01319 0.08929 -0.01763 18 8D 0 0.00450 0.06568 0.07491 -0.09376 -0.01014 19 8D+1 0.00935 0.10731 -0.02549 -0.03237 0.03047 20 8D-1 0.05985 -0.02232 0.01928 0.00335 -0.02461 21 8D+2 -0.03056 0.07562 -0.06456 -0.05627 -0.03269 22 8D-2 -0.07861 -0.02373 0.00345 0.02938 -0.00426 23 2 Cu 1S 0.00002 0.00139 0.00260 -0.00215 0.00023 24 2S 0.00018 0.00097 0.01752 0.01138 0.01494 25 3S 0.00127 0.07122 0.09425 -0.14282 0.02450 26 4PX -0.00013 -0.00343 -0.00969 0.00305 -0.00349 27 4PY -0.00714 0.00446 0.00073 0.00352 -0.00248 28 4PZ -0.00729 0.00507 -0.00280 -0.00067 -0.00541 29 5PX 0.00066 0.01025 0.03374 -0.00519 0.01334 30 5PY 0.02737 -0.02262 -0.00883 0.00593 0.01046 31 5PZ 0.02846 -0.01006 0.01545 -0.01485 0.02533 32 6PX 0.00052 -0.00807 -0.00921 0.01489 -0.00827 33 6PY -0.00132 -0.02096 0.00183 -0.00261 0.06989 34 6PZ -0.00009 -0.01821 0.00865 -0.00891 0.05771 35 7D 0 -0.23674 -0.12209 -0.13188 0.04787 0.06638 36 7D+1 0.21703 0.02262 -0.07854 0.05636 0.09638 37 7D-1 0.00232 -0.08812 -0.08404 0.20891 -0.07676 38 7D+2 -0.12681 0.06946 0.26342 -0.11309 0.12654 39 7D-2 0.21848 0.07277 0.03578 -0.00874 0.16120 40 8D 0 -0.07590 -0.03846 -0.04237 0.01530 0.01902 41 8D+1 0.06993 0.00743 -0.02545 0.01884 0.02911 42 8D-1 0.00073 -0.02875 -0.02727 0.06810 -0.02357 43 8D+2 -0.04061 0.02245 0.08422 -0.03572 0.03952 44 8D-2 0.07036 0.02398 0.01154 -0.00334 0.05090 45 3 Cu 1S 0.00000 -0.00044 0.00056 0.00179 -0.00002 46 2S 0.00009 0.00203 -0.00230 -0.00758 0.00027 47 3S 0.00008 -0.01541 0.02056 0.06583 0.00056 48 4PX -0.00004 -0.00013 0.00032 0.00065 0.00178 49 4PY 0.00001 0.00044 -0.00040 -0.00129 0.00308 50 4PZ 0.00002 -0.00024 0.00034 0.00131 0.00217 51 5PX 0.00003 -0.00013 0.00062 0.00133 -0.00932 52 5PY -0.00003 0.00081 -0.00085 -0.00276 -0.01612 53 5PZ 0.00000 -0.00031 0.00075 0.00252 -0.01136 54 6PX 0.00027 0.00227 0.01163 0.00356 -0.02121 55 6PY -0.00002 0.01097 -0.00311 -0.01013 -0.03556 56 6PZ -0.00014 0.00416 -0.00125 0.01367 -0.02601 57 7D 0 -0.00006 -0.05132 -0.07997 0.02468 0.11726 58 7D+1 0.00213 -0.31960 -0.07926 -0.01138 0.55246 59 7D-1 0.00348 -0.05464 -0.24925 -0.01007 0.17673 60 7D+2 -0.00112 0.02941 0.13773 -0.06572 -0.04916 61 7D-2 -0.00300 -0.18426 0.20343 -0.14451 0.27554 62 8D 0 -0.00004 -0.01804 -0.02561 0.00774 0.03790 63 8D+1 0.00071 -0.10624 -0.02674 -0.00336 0.18037 64 8D-1 0.00115 -0.01797 -0.08300 -0.00388 0.05775 65 8D+2 -0.00035 0.00879 0.04483 -0.02204 -0.01657 66 8D-2 -0.00099 -0.06078 0.06798 -0.04837 0.09019 67 4 Cu 1S -0.00002 0.00246 -0.00269 -0.00026 0.00028 68 2S -0.00021 0.00549 -0.00507 0.01978 0.01849 69 3S -0.00089 0.11629 -0.12989 -0.06237 0.03057 70 4PX 0.00828 0.00647 0.00165 -0.00112 -0.00429 71 4PY 0.00560 0.00157 0.00429 0.00233 -0.00188 72 4PZ 0.00140 -0.00582 0.00759 -0.00439 -0.00549 73 5PX -0.03182 -0.01409 -0.01472 -0.00493 0.02113 74 5PY -0.02133 -0.01842 0.00029 0.00550 0.00668 75 5PZ -0.00553 0.02378 -0.03010 0.01396 0.02247 76 6PX 0.00072 -0.01244 -0.02317 -0.00137 0.06654 77 6PY 0.00104 -0.01849 -0.00413 0.00309 0.05370 78 6PZ -0.00053 -0.01276 0.00757 0.00626 -0.00408 79 7D 0 -0.04599 0.16268 -0.15528 0.04046 0.08823 80 7D+1 -0.12599 -0.10586 0.15789 -0.04528 0.10237 81 7D-1 -0.14611 0.10160 -0.05149 0.07509 0.14367 82 7D+2 0.33773 -0.11455 -0.00878 0.05431 -0.00127 83 7D-2 -0.10683 -0.14366 0.20660 0.08899 -0.14700 84 8D 0 -0.01489 0.05183 -0.04910 0.01348 0.02743 85 8D+1 -0.04076 -0.03340 0.05110 -0.01455 0.03026 86 8D-1 -0.04711 0.03286 -0.01625 0.02404 0.04601 87 8D+2 0.10845 -0.03673 -0.00221 0.01773 -0.00131 88 8D-2 -0.03425 -0.04699 0.06685 0.02935 -0.04558 89 5 Cu 1S 0.00000 -0.00032 0.00041 0.00129 -0.00001 90 2S 0.00001 -0.00428 0.00546 0.01731 0.00013 91 3S -0.00011 -0.03548 0.04603 0.14764 -0.00106 92 4PX 0.00033 0.00198 0.01186 0.00454 -0.00492 93 4PY 0.00002 0.01126 -0.00360 -0.01161 -0.00804 94 4PZ -0.00016 0.00362 -0.00073 0.01551 -0.00611 95 5PX -0.00143 -0.00995 -0.04854 -0.01318 0.01172 96 5PY -0.00004 -0.04469 0.01144 0.03680 0.01896 97 5PZ 0.00079 -0.01818 0.00655 -0.05487 0.01458 98 6PX 0.00037 0.00662 0.01238 -0.00882 -0.04134 99 6PY -0.00002 0.00914 0.00430 0.01333 -0.06937 100 6PZ -0.00022 0.01237 -0.01009 -0.00713 -0.05092 101 7D 0 0.00221 -0.03474 0.06742 0.01200 0.03383 102 7D+1 0.00032 0.04907 0.03762 0.12932 -0.01614 103 7D-1 0.00267 0.07362 -0.01338 -0.23853 -0.00631 104 7D+2 -0.00248 -0.02417 -0.09728 -0.07877 0.05297 105 7D-2 -0.00202 0.09116 -0.07302 -0.09567 -0.02749 106 8D 0 0.00064 -0.01172 0.02086 0.00347 0.01109 107 8D+1 0.00007 0.01296 0.01073 0.03987 -0.00292 108 8D-1 0.00075 0.02238 -0.00586 -0.07358 -0.00135 109 8D+2 -0.00072 -0.00797 -0.02965 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0.00007 0.01005 0.00602 -0.01935 13 7D 0 -0.21990 -0.01965 0.29493 -0.04425 -0.04035 14 7D+1 0.09090 0.06179 -0.11067 -0.00913 -0.03645 15 7D-1 0.03222 0.05342 0.06435 0.10308 0.02854 16 7D+2 0.10626 -0.04948 -0.18154 -0.04796 -0.01861 17 7D-2 -0.10097 0.06583 0.00001 -0.02309 0.11414 18 8D 0 -0.07274 -0.00629 0.09726 -0.01476 -0.01298 19 8D+1 0.03015 0.02026 -0.03643 -0.00297 -0.01191 20 8D-1 0.01032 0.01743 0.02164 0.03343 0.01026 21 8D+2 0.03530 -0.01600 -0.06007 -0.01512 -0.00630 22 8D-2 -0.03325 0.02144 -0.00055 -0.00658 0.03701 23 2 Cu 1S -0.00043 -0.00091 0.00000 0.00223 -0.00032 24 2S -0.03022 0.02329 -0.00017 0.03979 -0.00561 25 3S -0.04843 -0.07748 -0.00018 0.09022 -0.01261 26 4PX 0.00665 -0.00018 -0.00005 0.00171 -0.00040 27 4PY -0.00490 -0.00235 -0.00345 -0.00985 -0.00418 28 4PZ 0.00065 0.00227 -0.00350 0.00783 -0.00694 29 5PX -0.02508 0.02193 0.00047 -0.02553 0.00389 30 5PY 0.02352 0.00463 0.02489 0.04629 0.00423 31 5PZ -0.00434 -0.00517 0.02552 -0.04071 0.01705 32 6PX 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-0.00015 0.00040 112 2S -0.03884 0.00213 -0.00033 0.00870 -0.02182 113 3S 0.04157 0.00521 0.00033 0.00064 -0.00133 114 4PX -0.00341 -0.00083 -0.00891 0.00214 -0.00082 115 4PY 0.00102 0.00036 -0.00593 -0.00029 0.00370 116 4PZ 0.00180 0.00316 -0.00154 0.00202 -0.00420 117 5PX 0.00348 0.00261 0.04002 -0.00706 0.00201 118 5PY 0.01635 0.00013 0.02683 0.00072 -0.01205 119 5PZ -0.00416 -0.01423 0.00697 -0.00773 0.01640 120 6PX -0.02785 0.00002 0.01379 -0.02307 -0.00673 121 6PY 0.01699 -0.00045 0.00957 -0.00987 -0.01803 122 6PZ -0.03955 0.00041 0.00208 -0.01737 0.03203 123 7D 0 -0.06682 0.05997 -0.01420 0.05539 -0.06069 124 7D+1 0.04351 -0.06378 -0.01455 0.05862 0.09818 125 7D-1 0.08099 0.05274 -0.07313 0.08592 -0.05286 126 7D+2 0.17038 -0.00979 0.33938 0.01025 -0.03081 127 7D-2 0.01177 -0.05909 -0.13155 -0.00125 -0.04162 128 8D 0 -0.02305 0.01938 -0.00487 0.01778 -0.01988 129 8D+1 0.01542 -0.02078 -0.00537 0.01811 0.03204 130 8D-1 0.02495 0.01724 -0.02452 0.02760 -0.01810 131 8D+2 0.05557 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-0.01021 0.01769 -0.03121 0.03082 0.00012 17 7D-2 0.03665 -0.00521 0.00667 -0.02618 -0.01163 18 8D 0 0.00161 -0.00957 0.01546 0.00664 0.00098 19 8D+1 0.01515 0.00704 -0.00357 -0.00082 0.00753 20 8D-1 0.01156 -0.00341 -0.00015 -0.00550 -0.00767 21 8D+2 -0.00255 0.00613 -0.00806 0.00904 0.00316 22 8D-2 0.01158 -0.00290 0.00108 -0.00768 -0.00317 23 2 Cu 1S 0.00217 0.00864 -0.00354 -0.00628 0.00021 24 2S -0.08468 0.23269 -0.09569 -0.13883 -0.01645 25 3S 0.27852 -0.05376 0.02306 -0.15940 0.03177 26 4PX -0.03774 -0.03208 0.01364 0.00174 -0.02845 27 4PY -0.02126 -0.00179 0.01839 0.01807 0.04354 28 4PZ 0.02084 0.01496 0.01235 -0.01566 0.00599 29 5PX 0.10718 0.14979 -0.06373 -0.04979 0.11692 30 5PY 0.03540 0.04136 -0.09623 -0.02431 -0.16261 31 5PZ -0.03502 -0.09944 -0.04179 0.01921 0.00495 32 6PX 0.02781 0.08054 -0.03104 -0.03752 -0.09444 33 6PY 0.00383 0.07485 0.01468 -0.01255 0.13748 34 6PZ -0.00690 -0.04062 0.06355 0.01735 -0.04796 35 7D 0 -0.01417 0.01364 0.01877 -0.01576 0.00189 36 7D+1 -0.04245 0.01304 0.06610 -0.01502 -0.02626 37 7D-1 -0.05429 0.04769 -0.02318 0.09385 0.00459 38 7D+2 0.02330 0.00250 0.01685 0.03331 -0.04667 39 7D-2 0.04186 0.03817 0.05201 0.01550 0.00024 40 8D 0 -0.00295 0.00263 0.00284 -0.00529 0.00139 41 8D+1 -0.01119 0.00173 0.01808 -0.00067 -0.00714 42 8D-1 -0.01593 0.01315 -0.00625 0.02595 0.00238 43 8D+2 0.00472 0.00046 0.00309 0.01054 -0.01502 44 8D-2 0.01108 0.01183 0.01300 0.00057 0.00018 45 3 Cu 1S 0.00531 0.00001 -0.00002 0.01497 -0.00018 46 2S 0.07765 0.00018 -0.00043 0.24792 -0.00278 47 3S 0.05652 0.00047 -0.00037 0.39809 -0.00463 48 4PX 0.01122 -0.02008 0.00776 0.02476 0.04337 49 4PY -0.02262 -0.01110 -0.01254 -0.04825 0.03571 50 4PZ 0.02081 -0.00097 -0.01750 0.04751 0.01334 51 5PX -0.03856 0.09548 -0.03690 -0.12045 -0.15302 52 5PY 0.07771 0.05264 0.05959 0.23629 -0.12746 53 5PZ -0.07147 0.00467 0.08330 -0.23002 -0.04628 54 6PX -0.03477 -0.01792 0.00713 -0.09007 -0.24305 55 6PY 0.07010 -0.00978 -0.01181 0.17422 -0.19876 56 6PZ -0.06502 -0.00095 -0.01548 -0.17435 -0.07562 57 7D 0 0.00835 0.01172 -0.04967 0.00028 0.01578 58 7D+1 0.02762 0.00816 0.02685 -0.00222 0.03841 59 7D-1 -0.05532 0.01876 -0.00642 0.00527 0.01779 60 7D+2 -0.02220 -0.05455 -0.00181 0.00282 0.02600 61 7D-2 -0.02952 0.01632 0.02355 0.00329 -0.01276 62 8D 0 0.00265 0.00341 -0.01296 0.00028 0.00520 63 8D+1 0.00873 0.00317 0.00772 -0.00026 0.01144 64 8D-1 -0.01748 0.00575 -0.00206 0.00073 0.00468 65 8D+2 -0.00702 -0.01467 -0.00015 0.00055 0.01181 66 8D-2 -0.00932 0.00403 0.00733 0.00052 -0.00553 67 4 Cu 1S 0.00221 -0.00123 0.00926 -0.00630 0.00011 68 2S -0.08340 -0.03343 0.24936 -0.13965 -0.00156 69 3S 0.27922 0.00830 -0.05782 -0.15912 0.00690 70 4PX 0.02575 0.01703 0.01910 -0.01166 0.04500 71 4PY -0.03260 0.01508 -0.01577 0.02050 0.03259 72 4PZ -0.02452 0.00702 -0.02726 -0.00752 0.00195 73 5PX -0.05649 -0.07293 -0.11159 0.02933 -0.14037 74 5PY 0.06480 -0.07342 0.11230 -0.03873 -0.10650 75 5PZ 0.08201 -0.03004 0.11080 -0.03262 0.00067 76 6PX -0.01348 0.05857 -0.06139 0.02242 0.07368 77 6PY 0.01185 0.02151 0.09496 -0.02215 0.06759 78 6PZ 0.02342 0.00271 0.04859 -0.03179 -0.00801 79 7D 0 -0.00697 0.02606 -0.01765 0.00744 -0.01791 80 7D+1 -0.03072 0.07551 0.00381 -0.03028 -0.03396 81 7D-1 0.02988 0.04699 0.03688 0.06132 -0.02115 82 7D+2 -0.02206 -0.01327 0.01869 0.03802 -0.01853 83 7D-2 -0.06990 -0.01541 0.03627 0.06743 0.01364 84 8D 0 -0.00300 0.00681 -0.00594 0.00611 -0.00533 85 8D+1 -0.00722 0.01910 -0.00019 -0.00746 -0.00935 86 8D-1 0.00674 0.01190 0.01177 0.01412 -0.00586 87 8D+2 -0.00652 -0.00573 0.00481 0.01072 -0.00559 88 8D-2 -0.01962 -0.00295 0.00922 0.02030 0.00419 89 5 Cu 1S -0.00441 -0.00003 -0.00005 0.00842 -0.00005 90 2S -0.18293 -0.00067 -0.00082 0.24065 -0.00194 91 3S 0.18415 0.00164 0.00192 0.00736 -0.00061 92 4PX -0.01195 -0.01637 0.00660 0.00877 -0.01201 93 4PY 0.02431 -0.00893 -0.01049 -0.01814 -0.00895 94 4PZ -0.02228 -0.00071 -0.01442 0.01562 -0.00417 95 5PX 0.04076 0.05150 -0.02110 -0.04513 0.02827 96 5PY -0.08366 0.02801 0.03297 0.09268 0.02091 97 5PZ 0.07548 0.00194 0.04604 -0.08151 0.00999 98 6PX 0.00890 -0.07735 0.02730 -0.02916 -0.12758 99 6PY -0.01635 -0.04411 -0.04819 0.05792 -0.10269 100 6PZ 0.01696 -0.00532 -0.06531 -0.05424 -0.04010 101 7D 0 0.01044 0.02011 -0.06932 0.01490 0.02546 102 7D+1 0.02806 0.02326 0.04506 0.04704 0.06597 103 7D-1 -0.05494 0.03606 -0.01292 -0.09285 0.03439 104 7D+2 -0.02048 -0.08125 0.00067 -0.03671 0.03282 105 7D-2 -0.02897 0.02041 0.04600 -0.04905 -0.01583 106 8D 0 0.00229 0.00456 -0.01460 0.00396 0.00482 107 8D+1 0.00588 0.00585 0.01018 0.01303 0.01382 108 8D-1 -0.01155 0.00841 -0.00315 -0.02573 0.00794 109 8D+2 -0.00424 -0.01752 0.00045 -0.01028 0.00278 110 8D-2 -0.00612 0.00407 0.01084 -0.01360 -0.00152 111 6 Cu 1S 0.00936 -0.00142 0.01073 -0.00030 -0.00077 112 2S 0.15826 -0.03193 0.24171 0.02143 -0.00702 113 3S 0.08025 -0.02934 0.21647 0.09659 -0.01876 114 4PX -0.02521 -0.04110 -0.02437 -0.00388 -0.04036 115 4PY 0.02945 -0.03191 0.01773 0.01464 -0.03342 116 4PZ 0.03292 -0.01066 0.02268 -0.03745 -0.00431 117 5PX 0.11260 0.16313 0.13500 0.01642 0.14884 118 5PY -0.13205 0.13695 -0.12304 -0.06491 0.12561 119 5PZ -0.14370 0.04451 -0.10206 0.16663 0.01664 120 6PX 0.07496 0.06892 0.06091 0.00168 0.25340 121 6PY -0.09379 0.05627 -0.03714 -0.01662 0.20480 122 6PZ -0.07541 0.02865 -0.11931 0.07338 0.02859 123 7D 0 0.01013 0.00016 -0.00178 -0.03978 -0.00293 124 7D+1 -0.03606 0.00527 0.00105 0.02256 -0.01201 125 7D-1 0.03766 -0.01017 0.00314 -0.01634 -0.00687 126 7D+2 -0.01076 0.06897 0.01557 -0.00334 0.02723 127 7D-2 -0.04509 -0.03076 0.00996 0.00100 -0.00444 128 8D 0 0.00239 -0.00014 0.00132 -0.01145 -0.00060 129 8D+1 -0.01138 0.00195 -0.00121 0.00659 -0.00356 130 8D-1 0.01224 -0.00295 0.00228 -0.00475 -0.00288 131 8D+2 -0.00339 0.01979 0.00453 -0.00078 0.01059 132 8D-2 -0.01429 -0.00879 0.00225 0.00066 -0.00257 133 7 Cu 1S 0.00215 -0.00739 -0.00567 -0.00622 -0.00005 134 2S -0.08492 -0.19964 -0.15326 -0.13798 0.02241 135 3S 0.27778 0.04654 0.03591 -0.15865 -0.03363 136 4PX 0.02736 -0.00255 -0.02595 -0.01245 0.02185 137 4PY 0.02266 -0.02307 -0.01356 0.00702 -0.04649 138 4PZ 0.03221 -0.02281 -0.00033 -0.01792 0.00493 139 5PX -0.06061 0.03292 0.13246 0.03236 -0.07801 140 5PY -0.07783 0.09240 0.05229 0.03614 0.18988 141 5PZ -0.06439 0.13463 0.02667 0.03248 -0.03887 142 6PX -0.01235 0.08649 0.00678 0.02210 0.06660 143 6PY -0.02244 0.02940 0.03244 0.02192 -0.16959 144 6PZ -0.01285 0.05028 0.08132 0.02812 0.07037 145 7D 0 0.02170 0.00293 0.00129 -0.03054 -0.01688 146 7D+1 0.07223 0.03587 0.01604 -0.06507 -0.00072 147 7D-1 0.02600 0.00911 -0.06170 0.06404 -0.00582 148 7D+2 0.00034 -0.03939 0.00372 0.01350 -0.04088 149 7D-2 0.02902 -0.05008 0.05342 0.03342 0.03185 150 8D 0 0.00679 0.00155 -0.00165 -0.01083 -0.00522 151 8D+1 0.02017 0.00846 0.00462 -0.01966 0.00120 152 8D-1 0.00564 0.00063 -0.01721 0.01523 -0.00099 153 8D+2 0.00072 -0.01196 0.00087 0.00003 -0.01325 154 8D-2 0.00668 -0.01341 0.01260 0.00852 0.01020 155 8 Cu 1S 0.00938 0.01002 -0.00412 -0.00026 -0.00475 156 2S 0.15800 0.22555 -0.09248 0.02186 -0.04049 157 3S 0.08072 0.20086 -0.08388 0.09550 -0.11138 158 4PX 0.04484 0.02974 -0.01324 -0.03092 0.00406 159 4PY 0.01684 -0.00214 -0.03900 0.01961 -0.04830 160 4PZ -0.01703 -0.02686 -0.03064 -0.01959 0.00173 161 5PX -0.19680 -0.15052 0.06539 0.13692 -0.00774 162 5PY -0.07630 -0.02761 0.17404 -0.08716 0.18434 163 5PZ 0.07745 0.14532 0.11018 0.08544 -0.01133 164 6PX -0.11409 -0.12829 0.05372 0.06657 -0.03234 165 6PY -0.05996 0.01530 0.06330 -0.02850 0.28379 166 6PZ 0.05890 0.03758 0.05683 0.03381 0.00609 167 7D 0 -0.02222 0.02507 0.05722 0.02474 0.00459 168 7D+1 -0.03402 -0.00650 -0.01820 -0.00216 -0.01669 169 7D-1 -0.02756 0.01373 -0.00847 -0.00474 0.03303 170 7D+2 0.03822 0.01245 0.03288 -0.04252 0.01919 171 7D-2 0.03340 -0.00808 -0.01877 0.00283 -0.00300 172 8D 0 -0.00679 0.00599 0.01703 0.00728 0.00214 173 8D+1 -0.01121 -0.00223 -0.00489 -0.00052 -0.00417 174 8D-1 -0.00853 0.00386 -0.00241 -0.00099 0.00757 175 8D+2 0.01166 0.00579 0.00857 -0.01235 0.00723 176 8D-2 0.01106 -0.00189 -0.00537 0.00068 -0.00300 177 9 C 1S 0.00074 -0.00001 -0.00002 0.03802 -0.00045 178 2S -0.00046 0.00000 -0.00002 -0.10145 0.00128 179 3S -0.04822 0.00010 0.00027 -0.18000 0.00230 180 4PX 0.00002 0.17397 -0.06621 0.03051 -0.26936 181 4PY -0.00520 0.09497 0.10766 -0.06437 -0.21202 182 4PZ -0.00164 0.00963 0.15411 0.05123 -0.08809 183 5PX 0.00597 0.10007 -0.03769 -0.00031 -0.16939 184 5PY -0.01514 0.05470 0.06164 -0.00110 -0.13323 185 5PZ 0.00960 0.00574 0.08858 -0.00337 -0.05546 186 10 O 1S 0.00338 0.00003 0.00007 -0.00809 -0.00007 187 2S -0.01005 -0.00008 -0.00016 0.02395 0.00015 188 3S -0.01542 -0.00022 -0.00054 0.04337 0.00063 189 4PX 0.00252 -0.11462 0.04340 -0.02011 0.14838 190 4PY -0.00118 -0.06273 -0.07093 0.04220 0.11693 191 4PZ 0.00618 -0.00646 -0.10127 -0.03408 0.04844 192 5PX -0.00064 -0.08791 0.03335 -0.00924 0.12606 193 5PY 0.00419 -0.04803 -0.05436 0.01986 0.09937 194 5PZ -0.00003 -0.00493 -0.07779 -0.01481 0.04115 91 92 93 94 95 V V V V V EIGENVALUES -- -0.03083 -0.00557 -0.00549 -0.00479 0.01920 1 1 Cu 1S 0.00232 0.00395 -0.00020 -0.00307 -0.00392 2 2S 0.01865 -0.10276 0.00512 -0.01654 -0.11661 3 3S 0.05197 -0.13206 0.00631 -0.04453 -0.19137 4 4PX 0.03130 -0.03754 0.00263 0.01529 0.01273 5 4PY 0.00100 -0.03280 0.00149 -0.00392 0.01992 6 4PZ -0.04086 -0.04423 0.00170 0.02225 0.01270 7 5PX -0.11389 0.16437 0.01164 -0.08973 -0.07996 8 5PY -0.00144 0.14443 -0.01073 0.02349 -0.14479 9 5PZ 0.15517 0.19083 -0.02399 -0.13071 -0.07520 10 6PX -0.20231 0.34897 0.06627 -0.18146 0.02887 11 6PY -0.00807 0.36167 -0.03386 0.09149 -0.21253 12 6PZ 0.24442 0.38677 -0.07937 -0.27553 0.09290 13 7D 0 0.02421 0.00320 0.01051 0.02016 -0.00937 14 7D+1 0.00482 0.00143 0.00030 0.04618 0.01713 15 7D-1 -0.00096 -0.00201 0.02785 -0.00888 0.00846 16 7D+2 -0.01742 0.00117 -0.01906 0.00140 -0.02278 17 7D-2 -0.01381 -0.00485 -0.03372 -0.00121 0.01686 18 8D 0 0.00962 0.00034 0.00488 0.00550 -0.00289 19 8D+1 0.00001 -0.00103 -0.00087 0.01146 0.00157 20 8D-1 0.00091 -0.00177 0.00647 -0.00044 -0.00019 21 8D+2 -0.00542 -0.00030 -0.00559 0.00177 -0.00578 22 8D-2 -0.00387 -0.00204 -0.00697 0.00049 0.00216 23 2 Cu 1S 0.00005 0.00125 0.00212 0.00339 0.00237 24 2S 0.01600 -0.03385 -0.05182 -0.00434 0.05520 25 3S -0.01968 -0.17454 -0.27497 -0.08354 0.97527 26 4PX 0.02289 -0.00159 -0.00648 -0.05480 -0.02306 27 4PY 0.01427 0.00963 -0.04532 0.00639 -0.00095 28 4PZ 0.04680 0.04556 0.00801 -0.00332 0.00149 29 5PX -0.09165 0.05596 0.09747 0.18332 0.10681 30 5PY -0.02618 0.03876 0.15797 0.03207 -0.00742 31 5PZ -0.16512 -0.12583 -0.09722 -0.03764 0.00482 32 6PX 0.07533 0.08488 0.14653 0.24256 0.57666 33 6PY -0.01876 -0.00729 0.19165 0.03762 0.23735 34 6PZ 0.12703 -0.17605 -0.06788 -0.04718 -0.24330 35 7D 0 -0.04020 0.06831 -0.02621 -0.02521 0.00647 36 7D+1 -0.01054 -0.00070 0.02379 0.01934 0.01685 37 7D-1 -0.00303 0.00974 0.02012 -0.00781 0.02333 38 7D+2 0.01077 0.01927 -0.04274 0.04571 -0.01025 39 7D-2 -0.02858 -0.02223 -0.00774 -0.02331 -0.01643 40 8D 0 -0.01239 0.02178 -0.00766 -0.00821 0.00087 41 8D+1 -0.00301 -0.00018 0.00871 0.00483 0.00277 42 8D-1 -0.00163 0.00255 0.00549 -0.00193 0.00416 43 8D+2 0.00418 0.00529 -0.01448 0.01494 -0.00130 44 8D-2 -0.00779 -0.00813 -0.00292 -0.00608 -0.00270 45 3 Cu 1S -0.00025 -0.00005 -0.00004 0.00331 -0.00133 46 2S -0.00379 0.00367 -0.00005 -0.12188 -0.09195 47 3S -0.00616 0.00226 -0.00047 -0.08488 -0.00960 48 4PX -0.03261 -0.01398 -0.02027 0.01747 0.00022 49 4PY 0.02428 -0.01754 0.00485 -0.03636 -0.00022 50 4PZ 0.04108 -0.01288 0.01548 0.03321 0.00049 51 5PX 0.11619 0.06648 0.09746 -0.05752 0.01707 52 5PY -0.08735 0.08605 -0.02322 0.12191 -0.03478 53 5PZ -0.14414 0.06043 -0.07459 -0.11004 0.03169 54 6PX 0.18188 0.15905 0.23110 -0.15303 -0.07088 55 6PY -0.13465 0.20267 -0.05435 0.32264 0.13793 56 6PZ -0.23126 0.14479 -0.17699 -0.29207 -0.13515 57 7D 0 0.03490 0.01159 0.00058 0.00431 0.00172 58 7D+1 -0.00003 0.03701 0.00200 0.01351 0.00546 59 7D-1 -0.01741 0.01498 0.02409 -0.02448 -0.01100 60 7D+2 0.00832 0.00062 -0.01283 -0.00990 -0.00435 61 7D-2 0.03587 0.01284 -0.03387 -0.01295 -0.00587 62 8D 0 0.01454 0.00257 -0.00010 0.00095 0.00051 63 8D+1 -0.00154 0.00779 0.00051 0.00312 0.00155 64 8D-1 -0.00490 0.00318 0.00507 -0.00570 -0.00311 65 8D+2 0.00189 0.00037 -0.00260 -0.00231 -0.00120 66 8D-2 0.01040 0.00264 -0.00718 -0.00302 -0.00167 67 4 Cu 1S 0.00021 0.00103 -0.00223 0.00338 0.00236 68 2S -0.02092 -0.02823 0.05515 -0.00420 0.05532 69 3S 0.03793 -0.14520 0.29177 -0.08284 0.97767 70 4PX -0.01116 0.04483 -0.00360 0.01439 0.00787 71 4PY 0.01561 0.00609 0.04565 -0.00564 -0.00638 72 4PZ -0.04647 0.01163 -0.00495 -0.05304 -0.02087 73 5PX 0.04558 -0.11520 0.09519 -0.08090 -0.02827 74 5PY -0.07685 0.05088 -0.19580 0.07825 0.01608 75 5PZ 0.19319 0.00051 -0.03355 0.15189 0.10261 76 6PX -0.05394 -0.18175 0.08218 -0.10520 -0.34087 77 6PY 0.09967 0.01897 -0.23145 0.09706 0.39961 78 6PZ -0.16845 0.01205 -0.08358 0.20388 0.41625 79 7D 0 -0.05160 -0.00334 0.00912 0.05879 0.00156 80 7D+1 0.02235 0.02380 -0.01297 -0.01498 0.01274 81 7D-1 0.00124 -0.01323 0.01625 -0.00465 -0.01172 82 7D+2 0.00119 0.07144 0.02683 0.00182 0.00942 83 7D-2 -0.00069 -0.01482 -0.04322 -0.00293 0.02916 84 8D 0 -0.01662 -0.00132 0.00297 0.01795 0.00055 85 8D+1 0.00753 0.00746 -0.00552 -0.00567 0.00188 86 8D-1 -0.00014 -0.00549 0.00651 0.00013 -0.00166 87 8D+2 0.00085 0.02251 0.00893 0.00077 0.00170 88 8D-2 0.00127 -0.00467 -0.01347 -0.00116 0.00499 89 5 Cu 1S -0.00008 -0.00007 0.00003 0.00051 -0.00159 90 2S -0.00300 -0.00231 0.00009 0.06574 -0.02311 91 3S -0.00107 -0.01181 0.00044 0.45166 -0.60691 92 4PX 0.00846 0.02438 0.03574 0.00061 0.00443 93 4PY -0.00569 0.03249 -0.00810 0.00102 -0.00861 94 4PZ -0.01200 0.02178 -0.02786 0.00037 0.00831 95 5PX -0.01986 -0.04667 -0.06853 -0.02827 -0.03456 96 5PY 0.01329 -0.06278 0.01499 0.05291 0.06793 97 5PZ 0.02866 -0.04173 0.05448 -0.05157 -0.06417 98 6PX 0.09717 0.04112 0.05705 -0.10113 0.39836 99 6PY -0.07070 0.04490 -0.01305 0.20423 -0.78932 100 6PZ -0.12452 0.04076 -0.04517 -0.19224 0.74753 101 7D 0 0.04676 -0.05186 0.07613 -0.00331 0.00452 102 7D+1 0.00426 -0.03342 -0.03197 -0.00748 0.01419 103 7D-1 -0.02980 -0.00737 -0.01858 0.01276 -0.02757 104 7D+2 0.01741 -0.07518 -0.02413 0.00306 -0.01091 105 7D-2 0.06541 0.02037 0.04619 0.00762 -0.01449 106 8D 0 0.00564 -0.01462 0.02169 0.00009 0.00020 107 8D+1 0.00234 -0.00907 -0.00907 0.00108 0.00053 108 8D-1 -0.00638 -0.00167 -0.00495 -0.00274 -0.00088 109 8D+2 0.00430 -0.02128 -0.00705 -0.00166 -0.00032 110 8D-2 0.01412 0.00609 0.01265 -0.00123 -0.00039 111 6 Cu 1S -0.00592 -0.00166 0.00345 -0.00315 -0.00394 112 2S -0.05099 0.04796 -0.09279 -0.01213 -0.11646 113 3S -0.13962 0.06156 -0.11801 -0.03830 -0.18718 114 4PX 0.02535 0.01635 -0.03088 0.01612 0.01169 115 4PY -0.03124 -0.01856 0.03895 -0.02436 -0.01208 116 4PZ 0.02212 -0.01615 0.03172 0.00140 -0.02115 117 5PX -0.10089 -0.04880 0.14405 -0.09184 -0.07386 118 5PY 0.12467 0.09279 -0.16034 0.14105 0.07110 119 5PZ -0.07656 0.07450 -0.13725 -0.01024 0.15217 120 6PX -0.14183 -0.06494 0.32332 -0.18661 0.03163 121 6PY 0.17115 0.21309 -0.30949 0.29895 -0.10231 122 6PZ -0.13903 0.19220 -0.34143 -0.06127 0.21524 123 7D 0 0.00464 0.01234 0.00158 -0.01140 0.02569 124 7D+1 -0.01403 0.03061 0.01854 -0.00020 -0.01619 125 7D-1 0.03130 0.02496 0.00946 -0.00559 0.00804 126 7D+2 0.01380 -0.01368 -0.00933 -0.01999 -0.00415 127 7D-2 0.02954 0.00258 -0.00258 -0.04534 -0.01596 128 8D 0 0.00402 0.00252 0.00080 -0.00412 0.00647 129 8D+1 -0.00373 0.00611 0.00481 -0.00095 -0.00198 130 8D-1 0.00703 0.00639 0.00103 0.00056 -0.00047 131 8D+2 0.00277 -0.00564 -0.00316 -0.00469 -0.00050 132 8D-2 0.00740 0.00114 0.00097 -0.01119 -0.00151 133 7 Cu 1S 0.00007 -0.00265 0.00014 0.00330 0.00237 134 2S 0.01076 0.06146 -0.00293 -0.00176 0.05515 135 3S -0.01150 0.32658 -0.01718 -0.06558 0.97337 136 4PX -0.03910 -0.02324 0.03907 0.01427 0.00869 137 4PY -0.01078 0.00959 -0.00738 0.05314 0.02013 138 4PZ 0.03724 -0.03884 -0.02509 0.00650 0.00715 139 5PX 0.11976 0.14366 -0.06775 -0.07972 -0.03225 140 5PY 0.05111 0.02416 0.00983 -0.14694 -0.09943 141 5PZ -0.12696 0.20050 0.03275 -0.07431 -0.02029 142 6PX -0.05922 0.16292 -0.13406 -0.10512 -0.36088 143 6PY -0.05502 0.07763 0.01922 -0.19119 -0.39056 144 6PZ 0.09166 0.22094 0.07836 -0.09825 -0.40574 145 7D 0 -0.02833 -0.00030 -0.06845 -0.02950 -0.00852 146 7D+1 0.01385 0.03443 0.02635 0.00420 -0.03070 147 7D-1 0.02178 0.01918 -0.00245 -0.00026 -0.00974 148 7D+2 -0.01812 -0.00613 0.03610 -0.05019 0.00146 149 7D-2 -0.02699 0.02062 -0.01933 0.01871 -0.01182 150 8D 0 -0.00854 -0.00047 -0.02168 -0.00906 -0.00169 151 8D+1 0.00463 0.01070 0.00828 0.00168 -0.00529 152 8D-1 0.00632 0.00778 -0.00141 0.00153 -0.00128 153 8D+2 -0.00551 -0.00182 0.01171 -0.01507 0.00003 154 8D-2 -0.00705 0.00778 -0.00547 0.00687 -0.00165 155 8 Cu 1S 0.00368 -0.00201 -0.00325 -0.00320 -0.00392 156 2S 0.03030 0.05725 0.08692 -0.01172 -0.11647 157 3S 0.08406 0.07386 0.11143 -0.03759 -0.18886 158 4PX -0.00340 -0.02884 -0.04455 -0.00931 -0.02575 159 4PY -0.00927 -0.01388 -0.02363 -0.02001 -0.00550 160 4PZ -0.04882 0.01522 0.02291 0.01960 0.00585 161 5PX 0.00684 0.12571 0.19423 0.05106 0.17843 162 5PY 0.03138 0.07502 0.09033 0.11638 0.02652 163 5PZ 0.18480 -0.04692 -0.10944 -0.11258 -0.02974 164 6PX 0.03123 0.29404 0.45367 0.06947 0.16539 165 6PY 0.06923 0.17498 0.14848 0.25493 -0.12658 166 6PZ 0.29280 -0.05555 -0.23223 -0.24427 0.11794 167 7D 0 0.01773 -0.00088 -0.00250 0.00166 -0.01674 168 7D+1 -0.00861 0.03017 -0.01921 -0.01309 -0.00238 169 7D-1 -0.02579 0.00272 0.00404 -0.04684 -0.01364 170 7D+2 -0.00240 0.00442 0.00280 -0.00627 0.02801 171 7D-2 -0.01815 0.02758 -0.01852 0.01419 0.00059 172 8D 0 0.00753 -0.00250 0.00056 0.00038 -0.00313 173 8D+1 -0.00431 0.00660 -0.00577 -0.00483 0.00172 174 8D-1 -0.00607 0.00045 0.00045 -0.01062 -0.00210 175 8D+2 -0.00029 0.00010 0.00193 -0.00147 0.00516 176 8D-2 -0.00500 0.00742 -0.00335 0.00520 -0.00218 177 9 C 1S -0.00071 0.00042 -0.00006 -0.01280 0.01449 178 2S 0.00197 -0.00151 0.00017 0.04523 -0.05741 179 3S 0.00369 -0.00237 0.00006 0.09185 -0.09437 180 4PX 0.19511 0.06753 0.09687 -0.01514 0.02435 181 4PY -0.13871 0.08678 -0.02131 0.03797 -0.04994 182 4PZ -0.26110 0.06097 -0.07619 -0.02867 0.04244 183 5PX 0.12283 0.05205 0.07534 -0.01377 -0.01279 184 5PY -0.08726 0.06763 -0.01697 0.03317 0.02491 185 5PZ -0.16456 0.04693 -0.05885 -0.02610 -0.02559 186 10 O 1S -0.00008 0.00035 0.00007 -0.01411 0.02529 187 2S 0.00014 -0.00094 -0.00018 0.03816 -0.07342 188 3S 0.00078 -0.00213 -0.00043 0.08692 -0.12502 189 4PX -0.10756 -0.04685 -0.06802 0.00169 -0.00889 190 4PY 0.07653 -0.06134 0.01508 -0.00864 0.01818 191 4PZ 0.14374 -0.04215 0.05356 0.00366 -0.01564 192 5PX -0.09145 -0.03515 -0.05069 0.00599 -0.01540 193 5PY 0.06513 -0.04553 0.01122 -0.01589 0.03146 194 5PZ 0.12214 -0.03171 0.03987 0.01146 -0.02735 96 97 98 99 100 V V V V V EIGENVALUES -- 0.02283 0.02815 0.02821 0.03040 0.03891 1 1 Cu 1S 0.00000 -0.00144 -0.00037 0.00150 -0.00183 2 2S 0.00003 -0.03384 -0.00940 -0.06316 -0.07835 3 3S 0.00023 -0.28578 -0.08390 -0.72496 -0.79194 4 4PX 0.04641 0.00846 0.01619 0.00477 -0.00114 5 4PY -0.00821 -0.04759 -0.01585 -0.00330 0.02394 6 4PZ -0.03339 0.03118 -0.00099 0.00766 -0.00762 7 5PX -0.21407 -0.02537 -0.07926 0.02756 0.00769 8 5PY 0.03789 0.23519 0.07986 0.09320 -0.06109 9 5PZ 0.15404 -0.13378 0.01469 0.01418 0.02736 10 6PX -0.69883 -0.10678 -0.28761 0.47683 0.28710 11 6PY 0.12430 1.09360 0.36086 0.68305 -0.18209 12 6PZ 0.50181 -0.56166 0.03297 0.48788 0.45430 13 7D 0 -0.00703 0.02164 -0.01234 0.00111 0.01215 14 7D+1 -0.00032 0.01655 0.01117 -0.04156 0.01817 15 7D-1 -0.01825 -0.01616 -0.00724 -0.02998 -0.00759 16 7D+2 0.01256 0.00774 0.01263 0.01589 0.00746 17 7D-2 0.02254 -0.01325 -0.00628 -0.03345 -0.00639 18 8D 0 0.00242 0.00105 -0.00276 -0.00027 0.00484 19 8D+1 -0.00129 0.00039 0.00119 -0.01196 0.00371 20 8D-1 -0.00165 -0.00253 -0.00083 -0.00882 -0.00249 21 8D+2 -0.00042 -0.00127 0.00118 0.00362 0.00506 22 8D-2 0.00293 -0.00125 -0.00130 -0.00941 -0.00326 23 2 Cu 1S 0.00001 -0.00129 0.00116 -0.00304 0.00132 24 2S 0.00003 -0.03303 0.03353 0.02265 -0.04495 25 3S -0.00001 -0.33617 0.35319 0.85857 -0.42234 26 4PX 0.00058 -0.00747 0.00783 0.03980 -0.00846 27 4PY 0.02026 0.00657 -0.01964 0.01746 -0.00794 28 4PZ 0.02118 -0.02007 0.00430 -0.01741 0.00723 29 5PX -0.00274 0.05857 -0.05992 -0.16271 0.07985 30 5PY -0.09984 -0.01026 0.10259 -0.07496 0.01580 31 5PZ -0.10432 0.10319 0.00127 0.07352 -0.01176 32 6PX -0.00264 0.09393 -0.10251 0.05856 0.75489 33 6PY -0.08507 -0.29189 0.16183 0.07378 0.14718 34 6PZ -0.08850 0.16067 -0.27690 -0.07045 -0.17998 35 7D 0 0.00324 0.01294 -0.00008 0.00542 0.01021 36 7D+1 0.05338 -0.00721 -0.01629 0.03099 -0.01421 37 7D-1 -0.00147 -0.04340 0.04189 0.01017 0.05600 38 7D+2 0.00472 -0.01225 0.01833 -0.01075 -0.01138 39 7D-2 0.05115 -0.01729 -0.00771 -0.03086 0.01669 40 8D 0 -0.00107 0.00482 -0.00019 0.00289 0.00212 41 8D+1 0.01308 -0.00195 -0.00390 0.00931 -0.00614 42 8D-1 -0.00027 -0.01021 0.00980 0.00504 0.01523 43 8D+2 0.00009 -0.00418 0.00643 -0.00523 -0.00183 44 8D-2 0.01258 -0.00412 -0.00230 -0.00913 0.00675 45 3 Cu 1S 0.00000 0.00003 0.00005 0.00062 -0.00212 46 2S 0.00009 -0.00143 -0.00201 -0.07590 0.14211 47 3S 0.00031 -0.01530 -0.01985 -0.68180 1.67924 48 4PX -0.00009 0.03488 -0.03270 -0.00539 0.00000 49 4PY 0.00001 0.03312 0.01665 0.01060 0.00009 50 4PZ 0.00007 0.01670 0.03523 -0.01091 0.00023 51 5PX 0.00042 -0.14757 0.13702 0.00274 0.03954 52 5PY -0.00004 -0.13845 -0.06867 -0.00499 -0.07893 53 5PZ -0.00030 -0.07136 -0.14963 0.00822 0.07427 54 6PX 0.00225 -0.33174 0.30154 -0.24381 0.37915 55 6PY -0.00014 -0.30275 -0.14429 0.48709 -0.73268 56 6PZ -0.00073 -0.16446 -0.34247 -0.45044 0.72185 57 7D 0 -0.00002 -0.00561 0.01080 -0.00660 0.00567 58 7D+1 0.00000 -0.02819 -0.00968 -0.01943 0.01335 59 7D-1 0.00001 -0.01520 0.01705 0.03930 -0.02763 60 7D+2 0.00001 0.01422 -0.01215 0.01557 -0.01037 61 7D-2 -0.00008 -0.00844 -0.02604 0.02140 -0.01529 62 8D 0 0.00000 0.00072 0.00622 -0.00234 0.00228 63 8D+1 0.00000 -0.00299 -0.00299 -0.00681 0.00604 64 8D-1 -0.00001 -0.00201 0.00231 0.01368 -0.01225 65 8D+2 0.00000 0.00649 -0.00243 0.00538 -0.00473 66 8D-2 -0.00001 -0.00294 -0.00242 0.00735 -0.00659 67 4 Cu 1S 0.00000 -0.00047 -0.00174 -0.00301 0.00123 68 2S -0.00004 -0.01132 -0.04506 0.02396 -0.04829 69 3S -0.00104 -0.11280 -0.45754 0.87203 -0.46550 70 4PX -0.02409 -0.01402 -0.00609 -0.02379 0.00724 71 4PY -0.01608 -0.00270 0.02026 0.02827 -0.01009 72 4PZ -0.00425 -0.00651 -0.01735 0.02852 -0.00403 73 5PX 0.11887 0.08587 0.00667 0.09946 -0.03226 74 5PY 0.07929 0.03327 -0.08288 -0.11919 0.03329 75 5PZ 0.02085 0.04094 0.10622 -0.11614 0.06897 76 6PX 0.10028 -0.05124 0.19090 -0.06937 -0.34173 77 6PY 0.06591 -0.14889 -0.30181 0.10014 0.33625 78 6PZ 0.01719 0.04979 0.27080 0.01778 0.61482 79 7D 0 -0.01754 -0.00603 -0.00573 0.01428 -0.02912 80 7D+1 -0.05490 -0.00893 0.02087 0.01988 -0.00277 81 7D-1 -0.04043 -0.02144 -0.03269 -0.02928 0.02973 82 7D+2 0.02320 0.01058 -0.02838 0.00508 0.02109 83 7D-2 0.00119 -0.01527 -0.04197 0.02611 0.04048 84 8D 0 -0.00413 -0.00198 -0.00365 0.00226 -0.00861 85 8D+1 -0.01271 -0.00160 0.00618 0.00700 -0.00246 86 8D-1 -0.00976 -0.00540 -0.00848 -0.00886 0.01060 87 8D+2 0.00749 0.00364 -0.00709 0.00221 0.00572 88 8D-2 -0.00057 -0.00399 -0.00946 0.00968 0.00979 89 5 Cu 1S 0.00000 -0.00009 -0.00011 0.00021 0.00616 90 2S -0.00005 -0.00086 -0.00099 0.09057 0.16795 91 3S -0.00117 0.00730 0.01217 2.21748 2.06803 92 4PX -0.00006 0.01391 -0.01244 0.00853 -0.00201 93 4PY 0.00001 0.01269 0.00599 -0.01692 0.00358 94 4PZ 0.00002 0.00693 0.01415 0.01592 -0.00419 95 5PX 0.00048 -0.03422 0.02999 -0.02524 0.02364 96 5PY 0.00000 -0.03097 -0.01442 0.04929 -0.04370 97 5PZ -0.00018 -0.01725 -0.03437 -0.04858 0.04672 98 6PX 0.00160 0.15801 -0.14930 0.02528 -0.72373 99 6PY 0.00020 0.14534 0.07185 -0.05609 1.45986 100 6PZ -0.00060 0.08000 0.17373 0.03858 -1.33214 101 7D 0 -0.00017 -0.00038 -0.03449 -0.00876 0.00439 102 7D+1 0.00001 0.02852 0.01725 -0.02925 0.01676 103 7D-1 -0.00018 0.01992 -0.01682 0.05748 -0.03276 104 7D+2 0.00019 -0.03671 0.01899 0.02280 -0.01345 105 7D-2 0.00008 0.01924 0.02715 0.03016 -0.01721 106 8D 0 -0.00002 0.00088 -0.00373 -0.00152 0.00261 107 8D+1 -0.00001 0.00608 0.00235 -0.00456 0.00901 108 8D-1 -0.00003 0.00380 -0.00335 0.00894 -0.01792 109 8D+2 0.00003 -0.00423 0.00316 0.00344 -0.00727 110 8D-2 0.00002 0.00254 0.00588 0.00466 -0.00959 111 6 Cu 1S 0.00000 0.00042 0.00151 0.00144 -0.00176 112 2S -0.00017 0.00955 0.03576 -0.06444 -0.07599 113 3S -0.00203 0.07201 0.28727 -0.73609 -0.76157 114 4PX -0.04750 -0.01642 -0.00894 0.00515 -0.00228 115 4PY -0.03167 -0.00107 0.03298 -0.00873 0.00943 116 4PZ -0.00837 -0.01411 -0.04567 0.00396 -0.02358 117 5PX 0.21918 0.08245 0.02945 0.02233 0.01257 118 5PY 0.14593 0.01305 -0.14328 -0.00776 -0.03319 119 5PZ 0.03850 0.06981 0.22534 -0.10018 0.06082 120 6PX 0.71546 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140 5PY 0.02045 0.11127 0.04695 0.10505 -0.06333 141 5PZ 0.08324 -0.07499 0.04047 0.12181 -0.03413 142 6PX -0.09948 -0.18685 0.05275 -0.06978 -0.37296 143 6PY 0.01790 0.30171 0.06741 -0.01202 -0.58447 144 6PZ 0.07146 -0.28104 -0.14929 -0.09226 -0.38481 145 7D 0 0.01426 -0.02365 0.00752 -0.01214 0.00040 146 7D+1 0.00156 -0.04138 -0.01516 -0.02679 -0.04138 147 7D-1 0.04206 0.03329 0.02162 -0.02776 0.02914 148 7D+2 -0.02791 0.00983 -0.01134 -0.01283 0.03564 149 7D-2 -0.05250 0.02273 -0.00699 -0.01925 0.00306 150 8D 0 0.00515 -0.00706 0.00248 -0.00311 0.00064 151 8D+1 -0.00034 -0.00935 -0.00395 -0.01004 -0.00974 152 8D-1 0.01007 0.00862 0.00536 -0.00842 0.01051 153 8D+2 -0.00756 0.00064 -0.00378 -0.00181 0.01051 154 8D-2 -0.01207 0.00659 -0.00112 -0.00686 0.00259 155 8 Cu 1S 0.00000 0.00112 -0.00103 0.00148 -0.00180 156 2S 0.00034 0.02627 -0.02521 -0.06354 -0.07708 157 3S 0.00278 0.21036 -0.21446 -0.72724 -0.77623 158 4PX 0.00114 -0.02415 0.02341 -0.00030 -0.01924 159 4PY 0.03986 0.01723 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3 3S 0.99990 -0.12650 -1.76433 1.04515 0.38415 4 4PX 0.00469 0.01034 0.01914 -0.00635 0.00671 5 4PY 0.01032 -0.00305 0.00359 -0.00303 -0.03345 6 4PZ 0.00121 -0.00801 0.02099 -0.01600 0.00416 7 5PX -0.07026 0.01720 -0.00971 0.02737 -0.05947 8 5PY -0.06615 0.00636 0.03660 -0.02590 0.15711 9 5PZ -0.08404 0.00395 -0.04226 0.00976 -0.05011 10 6PX -0.36779 0.90151 -0.20052 -1.19216 0.79663 11 6PY -0.58460 -0.08150 -0.16051 0.33703 -2.27647 12 6PZ -0.58285 -0.54118 0.98289 0.35344 0.72215 13 7D 0 0.01690 0.06007 -0.02558 -0.01839 -0.01877 14 7D+1 0.00713 -0.02528 -0.01176 0.02370 -0.01681 15 7D-1 0.01701 0.00371 0.01875 0.00596 0.02489 16 7D+2 0.01097 -0.03578 0.00163 0.00800 -0.02557 17 7D-2 0.00910 0.00909 -0.00776 -0.02819 0.01113 18 8D 0 0.00626 0.01542 -0.00495 0.00102 -0.00307 19 8D+1 0.00607 -0.00682 -0.00896 0.00685 -0.00096 20 8D-1 0.00608 0.00232 0.00038 0.00440 0.00511 21 8D+2 0.00374 -0.01013 -0.00200 -0.00013 -0.00524 22 8D-2 0.00340 0.00018 -0.00495 -0.00385 0.00304 23 2 Cu 1S -0.00095 -0.00122 0.00002 0.00346 0.00169 24 2S -0.13188 -0.17623 0.00006 -0.03366 0.01377 25 3S -1.79059 -2.39742 -0.00159 -0.62850 0.00173 26 4PX 0.01127 0.01520 -0.00067 -0.02027 0.00822 27 4PY -0.00527 0.01310 -0.02418 -0.00795 -0.02917 28 4PZ -0.01470 0.00164 -0.02484 0.00871 0.00246 29 5PX 0.04735 0.06264 0.00416 0.13264 -0.02187 30 5PY 0.09180 -0.00225 0.14776 0.09658 0.10591 31 5PZ 0.03036 -0.08975 0.15095 -0.09939 -0.03517 32 6PX -0.09656 -0.12139 0.03333 2.08783 -1.10638 33 6PY 0.38108 0.26066 0.97231 0.14712 2.95406 34 6PZ -0.12145 -0.43453 1.00472 -0.22532 -0.03125 35 7D 0 -0.00333 0.00089 0.02655 0.00861 0.00525 36 7D+1 -0.01848 0.01110 0.03137 0.02596 0.01942 37 7D-1 -0.00465 -0.00649 -0.00248 0.00419 -0.01762 38 7D+2 -0.00122 0.00315 0.01691 -0.01668 0.00625 39 7D-2 -0.01534 0.01412 0.02853 -0.02668 -0.01445 40 8D 0 -0.00158 0.00222 0.00766 0.00162 0.00112 41 8D+1 -0.00726 0.01000 0.01000 0.00472 0.00221 42 8D-1 -0.00226 -0.00358 -0.00072 -0.00123 -0.00360 43 8D+2 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8D+1 0.00274 0.00559 -0.00722 0.00562 -0.00395 64 8D-1 -0.00003 0.00095 0.00047 0.00674 -0.00111 65 8D+2 0.01429 0.00478 -0.00215 -0.00193 -0.00781 66 8D-2 -0.00542 -0.00479 -0.00680 -0.00543 0.00288 67 4 Cu 1S -0.00064 0.00145 -0.00304 -0.00171 0.00066 68 2S -0.08574 0.20206 0.02976 0.01631 0.00518 69 3S -1.16439 2.74901 0.55499 0.30664 -0.00195 70 4PX -0.01758 0.00437 -0.02441 0.01906 -0.01693 71 4PY -0.00385 -0.01529 0.00268 0.02354 -0.01982 72 4PZ 0.00330 -0.01396 0.01049 0.01159 0.00264 73 5PX 0.05852 0.09032 0.17903 -0.09885 0.03642 74 5PY 0.08479 -0.04897 -0.06509 -0.17032 0.06421 75 5PZ 0.03121 -0.03573 -0.05163 -0.06355 -0.01220 76 6PX 0.07141 0.29167 1.24669 -0.63299 1.93751 77 6PY 0.28283 -0.37164 -0.20179 -1.00662 2.06230 78 6PZ -0.12292 0.35220 -1.50851 -1.07846 -0.32499 79 7D 0 -0.00618 -0.00382 0.00143 -0.01371 0.00892 80 7D+1 -0.02181 -0.00750 0.00168 -0.04686 0.01132 81 7D-1 -0.01537 -0.00620 0.03856 -0.00722 -0.00416 82 7D+2 0.00565 0.00606 0.00343 -0.01014 0.00537 83 7D-2 -0.00219 0.00824 -0.02254 0.00140 -0.00704 84 8D 0 -0.00306 -0.00312 0.00113 -0.00387 0.00138 85 8D+1 -0.01072 -0.00789 0.00273 -0.01334 0.00059 86 8D-1 -0.01069 0.00178 0.00946 -0.00383 -0.00179 87 8D+2 0.00243 0.00286 0.00163 -0.00200 0.00243 88 8D-2 0.00046 0.00183 -0.00335 0.00214 -0.00181 89 5 Cu 1S -0.00001 0.00002 0.00006 0.00000 -0.00003 90 2S -0.00054 0.00067 0.00012 -0.00002 0.00004 91 3S -0.01088 0.01446 -0.01316 0.00192 0.01494 92 4PX -0.00686 -0.00849 0.00004 0.00860 0.02835 93 4PY -0.00814 0.00257 -0.00618 0.00210 0.02785 94 4PZ -0.00508 0.00738 -0.00679 -0.00239 0.01468 95 5PX 0.03656 0.04850 0.00053 -0.09690 -0.14045 96 5PY 0.04732 -0.01591 0.07162 -0.02444 -0.13954 97 5PZ 0.02585 -0.04020 0.07467 0.02521 -0.07204 98 6PX -0.15131 -0.22186 0.00164 -0.27242 -1.83971 99 6PY -0.20521 0.07974 0.18309 -0.06171 -1.80465 100 6PZ -0.10097 0.16744 0.23700 0.08007 -0.96065 101 7D 0 -0.00133 -0.01225 0.00858 -0.00610 -0.01105 102 7D+1 -0.02211 0.00510 0.02681 -0.01984 -0.03150 103 7D-1 -0.01019 -0.01446 -0.00143 -0.02475 -0.01519 104 7D+2 0.01282 0.01242 0.00674 0.00897 -0.00220 105 7D-2 -0.01103 0.01855 0.02577 0.01920 -0.00292 106 8D 0 -0.00173 -0.00318 0.00203 -0.00202 -0.00222 107 8D+1 -0.01035 0.00147 0.00791 -0.00569 -0.00599 108 8D-1 -0.00446 -0.00670 -0.00025 -0.00731 -0.00293 109 8D+2 0.00358 0.00476 0.00168 0.00316 -0.00086 110 8D-2 -0.00407 0.00899 0.00777 0.00540 -0.00042 111 6 Cu 1S -0.00021 0.00054 -0.00092 -0.00054 0.00012 112 2S -0.03712 0.08835 0.09672 0.05423 -0.00403 113 3S -0.38425 0.92307 1.80253 1.01106 -0.11801 114 4PX 0.00887 0.00710 -0.01863 -0.00551 0.02485 115 4PY 0.00739 0.00140 0.02164 0.01555 0.01956 116 4PZ 0.00622 -0.00937 0.00541 0.00393 -0.00479 117 5PX 0.03493 -0.05885 0.01005 0.02828 -0.12551 118 5PY -0.02673 0.07854 -0.04486 -0.01063 -0.11181 119 5PZ -0.02683 0.06629 0.03506 0.02295 0.01796 120 6PX 0.96682 -0.06217 0.20505 -1.21601 1.67937 121 6PY 0.34209 0.67777 0.99350 -0.33592 1.50654 122 6PZ -0.10419 0.63489 -0.13976 -0.30947 -0.29050 123 7D 0 0.00593 -0.01482 -0.01271 0.00178 0.00196 124 7D+1 -0.00331 -0.01075 -0.00785 0.02689 0.03713 125 7D-1 0.00059 0.01970 -0.01574 0.00520 0.02043 126 7D+2 -0.06300 -0.02781 -0.02380 0.02001 -0.02491 127 7D-2 0.03046 0.00230 -0.01064 -0.02542 -0.00255 128 8D 0 0.00285 -0.00525 -0.00395 -0.00018 0.00009 129 8D+1 0.00166 -0.00332 -0.00529 0.00383 0.00681 130 8D-1 0.00073 0.00743 0.00056 0.00451 0.00340 131 8D+2 -0.01612 -0.00857 -0.00386 -0.00097 -0.00450 132 8D-2 0.00922 -0.00326 -0.00857 -0.00663 0.00022 133 7 Cu 1S 0.00151 -0.00018 0.00296 -0.00175 -0.00233 134 2S 0.21882 -0.02687 -0.02977 0.01745 -0.01981 135 3S 2.97005 -0.36468 -0.55111 0.32270 -0.00783 136 4PX 0.00973 -0.01530 0.02499 0.01771 -0.01647 137 4PY 0.01318 0.00098 0.00915 -0.01134 0.02461 138 4PZ 0.01391 0.00852 0.00198 -0.02448 -0.01830 139 5PX 0.07260 0.07816 -0.18310 -0.08940 0.07124 140 5PY 0.03964 -0.02103 -0.04038 0.05974 -0.08949 141 5PZ 0.06938 -0.07113 -0.05936 0.17640 0.09361 142 6PX 0.26193 0.14673 -1.28636 -0.54685 1.45843 143 6PY -0.38173 0.01369 -1.43761 1.08896 -2.75154 144 6PZ 0.41585 -0.18405 -0.20996 1.06142 1.54144 145 7D 0 -0.00247 -0.00384 0.00216 0.01505 0.00493 146 7D+1 -0.00811 -0.00062 -0.02287 0.00134 -0.00785 147 7D-1 -0.00209 -0.01691 -0.03837 -0.00923 0.02943 148 7D+2 0.00291 0.01052 -0.00293 0.00884 0.02682 149 7D-2 0.00109 0.02214 0.00254 0.04597 0.00796 150 8D 0 -0.00034 -0.00146 0.00146 0.00340 0.00082 151 8D+1 -0.00139 -0.00096 -0.00333 -0.00155 -0.00209 152 8D-1 0.00434 -0.01012 -0.00969 -0.00435 0.00480 153 8D+2 0.00307 0.00520 -0.00021 0.00283 0.00587 154 8D-2 0.00454 0.01202 0.00279 0.01306 0.00121 155 8 Cu 1S -0.00034 -0.00049 0.00004 0.00108 0.00033 156 2S -0.05736 -0.07743 -0.00063 -0.11034 -0.01001 157 3S -0.59942 -0.81550 -0.00963 -2.05486 -0.29263 158 4PX 0.00721 0.00876 -0.00023 -0.01756 -0.01927 159 4PY 0.00678 -0.00621 -0.00388 -0.02005 0.02620 160 4PZ 0.00808 -0.00545 -0.00368 0.01976 0.00698 161 5PX -0.06353 -0.08399 0.00052 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-0.06265 0.02025 -0.07418 0.02659 0.06962 182 4PZ -0.03959 0.05817 -0.08018 -0.02695 0.03697 183 5PX -0.04584 -0.05597 -0.00192 0.08509 0.07386 184 5PY -0.05132 0.01570 -0.06025 0.02209 0.07028 185 5PZ -0.03534 0.05095 -0.06726 -0.02219 0.03922 186 10 O 1S 0.00018 -0.00018 -0.00017 -0.00003 -0.00023 187 2S -0.00059 0.00059 0.00042 0.00008 0.00071 188 3S -0.00041 0.00049 0.00118 0.00018 0.00087 189 4PX 0.01970 0.02561 -0.00040 0.00848 -0.04509 190 4PY 0.02356 -0.00793 -0.00635 0.00238 -0.04434 191 4PZ 0.01476 -0.02230 -0.00657 -0.00194 -0.02336 192 5PX 0.02342 0.02993 0.00042 -0.02584 -0.03557 193 5PY 0.02795 -0.00924 0.01860 -0.00675 -0.03475 194 5PZ 0.01745 -0.02590 0.02000 0.00674 -0.01851 106 107 108 109 110 V V V V V EIGENVALUES -- 0.04953 0.06115 0.06816 0.07001 0.07011 1 1 Cu 1S -0.00012 -0.00078 0.00135 0.00210 -0.00019 2 2S 0.00287 -0.01290 -0.02448 -0.03235 0.00336 3 3S 0.08523 -0.77897 -0.97868 -1.19875 0.12192 4 4PX -0.02447 -0.00126 0.01920 0.04978 0.01417 5 4PY -0.00371 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-0.01700 1.07894 0.50912 -0.57621 -0.87365 26 4PX -0.00948 -0.00260 -0.04412 0.00376 0.00966 27 4PY 0.00500 -0.00568 0.02605 -0.01753 0.04747 28 4PZ -0.02921 0.00565 -0.02156 -0.05223 0.00243 29 5PX 0.02696 0.00235 0.28623 0.07164 0.07373 30 5PY -0.04457 0.02036 -0.21305 0.18321 -0.26506 31 5PZ 0.10703 -0.02083 0.18072 0.32465 -0.09909 32 6PX 1.24382 0.27865 0.01837 1.23137 1.76797 33 6PY -0.27569 -0.25931 -1.02754 0.36761 0.19969 34 6PZ 2.91381 0.24087 0.96744 -0.02618 -0.49502 35 7D 0 0.00996 0.01907 -0.01238 -0.04471 0.02491 36 7D+1 -0.01322 -0.00158 0.00633 0.00912 0.00260 37 7D-1 0.01793 -0.02840 -0.01671 0.00090 -0.00147 38 7D+2 0.00255 -0.03480 0.02242 -0.01850 0.02309 39 7D-2 0.02091 0.00303 -0.00865 0.00120 -0.01056 40 8D 0 0.00276 0.00409 -0.00132 -0.00661 0.00457 41 8D+1 -0.00341 0.00043 0.00179 0.00063 0.00335 42 8D-1 0.00369 -0.00987 -0.00182 -0.00069 -0.00166 43 8D+2 0.00008 -0.00786 0.00244 -0.00395 0.00242 44 8D-2 0.00265 -0.00018 -0.00196 -0.00280 -0.00192 45 3 Cu 1S 0.00000 -0.00126 -0.00187 -0.00005 0.00004 46 2S 0.00136 -0.05419 0.09577 0.00122 -0.00117 47 3S 0.01819 -0.41477 2.32045 0.03811 -0.03772 48 4PX 0.00901 -0.00447 0.02929 0.01591 0.02073 49 4PY -0.00447 0.00879 -0.05858 0.01845 -0.00477 50 4PZ -0.00896 -0.00866 0.05455 0.01349 -0.01814 51 5PX -0.05632 -0.00527 -0.11262 -0.05785 -0.07502 52 5PY 0.02713 0.01101 0.22470 -0.06618 0.01706 53 5PZ 0.05744 -0.00908 -0.21000 -0.04920 0.06578 54 6PX 2.12031 -0.50884 0.01859 -0.15820 -0.21220 55 6PY -1.00771 1.01907 -0.03333 -0.19243 0.05275 56 6PZ -2.18462 -0.93161 0.07360 -0.13138 0.17946 57 7D 0 -0.05474 -0.00534 -0.00109 -0.00385 -0.00690 58 7D+1 0.01578 -0.01788 -0.00411 -0.02292 0.00231 59 7D-1 0.01189 0.03530 0.00891 -0.00943 -0.01489 60 7D+2 0.00540 0.01418 0.00371 0.00674 0.01058 61 7D-2 -0.02816 0.01878 0.00529 -0.00949 0.01941 62 8D 0 -0.00853 -0.00161 0.00123 0.00247 -0.00790 63 8D+1 0.00252 -0.00507 0.00422 -0.00446 0.00287 64 8D-1 0.00170 0.01006 -0.00816 -0.00261 -0.00305 65 8D+2 0.00088 0.00401 -0.00328 0.00755 0.00494 66 8D-2 -0.00428 0.00534 -0.00420 -0.00469 0.00279 67 4 Cu 1S 0.00232 0.00087 -0.00139 0.00191 -0.00411 68 2S 0.02022 0.09410 0.02420 -0.00552 0.01330 69 3S 0.02100 1.08578 0.53504 -0.42411 0.93639 70 4PX 0.01712 0.00456 -0.00152 -0.05459 -0.00104 71 4PY -0.01893 -0.00691 0.01731 -0.01542 -0.04569 72 4PZ 0.02296 0.00038 -0.05269 -0.01106 0.00159 73 5PX -0.07146 -0.01339 0.04081 0.34731 0.11615 74 5PY 0.09468 0.02217 -0.16390 0.17514 0.19748 75 5PZ -0.08083 -0.00862 0.35955 0.12810 -0.11422 76 6PX -1.55171 0.10185 0.69940 -0.13690 0.94097 77 6PY 1.62672 -0.24972 -1.18759 0.52074 -0.73745 78 6PZ -2.62860 0.37888 0.48570 0.81250 -1.62724 79 7D 0 0.02263 -0.03081 0.02696 0.00368 -0.01414 80 7D+1 0.00774 0.01978 -0.00826 -0.01346 -0.00490 81 7D-1 -0.03035 -0.02151 -0.00382 -0.00136 0.00408 82 7D+2 -0.01063 -0.01298 -0.00478 -0.04741 -0.02226 83 7D-2 -0.00773 -0.02054 -0.01369 0.02167 0.00852 84 8D 0 0.00496 -0.00588 0.00369 -0.00001 -0.00278 85 8D+1 0.00122 0.00501 -0.00039 -0.00348 -0.00352 86 8D-1 -0.00490 -0.00690 -0.00130 -0.00314 0.00264 87 8D+2 -0.00254 -0.00430 -0.00045 -0.00670 -0.00241 88 8D-2 -0.00193 -0.00716 -0.00100 0.00339 0.00153 89 5 Cu 1S -0.00003 -0.00353 -0.00152 -0.00003 0.00004 90 2S -0.00008 -0.15298 -0.04888 -0.00068 0.00090 91 3S 0.00999 -0.53088 -0.98171 -0.01909 0.01859 92 4PX -0.02802 -0.00657 0.00625 -0.03154 -0.04325 93 4PY 0.01313 0.01288 -0.01155 -0.04018 0.01161 94 4PZ 0.02915 -0.01220 0.01309 -0.02540 0.03509 95 5PX 0.13924 0.12556 -0.02396 0.23708 0.32616 96 5PY -0.06618 -0.24979 0.03993 0.30366 -0.08770 97 5PZ -0.14324 0.23252 -0.05468 0.19058 -0.26449 98 6PX 1.78856 -0.80629 0.55161 -0.26511 -0.39017 99 6PY -0.83846 1.60589 -1.08531 -0.37459 0.12123 100 6PZ -1.86594 -1.52865 1.03087 -0.20093 0.29599 101 7D 0 -0.00587 -0.00636 -0.00720 0.02961 -0.05475 102 7D+1 -0.00290 -0.02107 -0.01990 0.00814 0.02182 103 7D-1 0.01753 0.04264 0.04090 0.00001 0.00202 104 7D+2 -0.00942 0.01720 0.01594 0.05387 0.02027 105 7D-2 -0.03029 0.02312 0.02242 -0.01986 -0.01786 106 8D 0 -0.00155 -0.00071 -0.00282 0.00546 -0.00970 107 8D+1 -0.00036 -0.00236 -0.00848 0.00206 0.00400 108 8D-1 0.00325 0.00485 0.01715 0.00055 0.00060 109 8D+2 -0.00170 0.00197 0.00677 0.00969 0.00326 110 8D-2 -0.00582 0.00262 0.00927 -0.00316 -0.00397 111 6 Cu 1S 0.00045 -0.00087 0.00137 -0.00087 0.00191 112 2S -0.01270 -0.01324 -0.02706 0.01258 -0.02775 113 3S -0.38344 -0.77787 -1.03858 0.47481 -1.04051 114 4PX -0.00814 -0.00111 0.02010 -0.00148 0.04856 115 4PY 0.00512 -0.00156 -0.03431 0.03360 -0.04268 116 4PZ -0.03314 0.01149 0.01365 0.02579 -0.04678 117 5PX 0.06538 0.03296 -0.06308 0.02677 -0.22127 118 5PY -0.05397 -0.02114 0.12578 -0.14742 0.21080 119 5PZ 0.15304 -0.10435 -0.10992 -0.11512 0.21480 120 6PX -0.88254 0.33697 0.00395 -0.96182 0.15897 121 6PY 0.77607 -0.64632 0.26137 -0.11629 -1.01331 122 6PZ -2.19540 0.57948 -0.97259 -0.19288 0.05677 123 7D 0 -0.03334 0.05248 0.01075 -0.00891 0.00176 124 7D+1 0.00745 -0.01385 0.00894 -0.02159 -0.00985 125 7D-1 -0.02357 -0.00507 -0.02540 -0.01548 -0.00723 126 7D+2 -0.00467 -0.00153 -0.01424 0.00447 0.00704 127 7D-2 -0.01804 -0.00474 -0.02440 -0.00326 0.01025 128 8D 0 -0.00660 0.00757 0.00734 -0.00074 -0.00202 129 8D+1 0.00240 -0.00410 0.00262 -0.00672 0.00079 130 8D-1 -0.00489 0.00253 -0.00773 -0.00130 -0.00370 131 8D+2 -0.00016 0.00047 -0.00169 -0.00620 -0.00049 132 8D-2 -0.00135 -0.00056 -0.00134 0.00016 0.00760 133 7 Cu 1S -0.00057 0.00091 -0.00118 -0.00459 0.00041 134 2S -0.00526 0.09418 0.02341 0.01646 -0.00231 135 3S -0.00584 1.07421 0.48430 1.05227 -0.10619 136 4PX 0.01701 0.00474 -0.00262 0.01889 -0.05056 137 4PY 0.00263 -0.00076 0.05354 -0.00494 0.00825 138 4PZ -0.01988 0.00695 -0.01522 0.03651 0.03213 139 5PX -0.03787 -0.01537 0.04442 -0.01084 0.35671 140 5PY -0.01397 0.00900 -0.37332 0.14028 -0.06934 141 5PZ 0.06403 -0.02502 0.14249 -0.11507 -0.24771 142 6PX -1.92634 0.06745 0.66985 1.03176 0.15827 143 6PY -0.29836 -0.40217 -0.59636 1.71041 -0.18491 144 6PZ 2.03237 0.19181 1.06230 0.97343 -0.29256 145 7D 0 0.00932 0.02386 -0.00966 0.01151 0.04684 146 7D+1 -0.00645 0.01922 0.01335 0.00088 -0.02043 147 7D-1 0.00219 -0.02485 -0.00292 0.00292 -0.00192 148 7D+2 0.00531 0.01816 -0.02639 0.00942 -0.02386 149 7D-2 0.01145 -0.02237 0.00938 -0.00021 0.01633 150 8D 0 0.00295 0.00573 -0.00157 0.00155 0.00670 151 8D+1 -0.00165 0.00682 0.00082 0.00003 -0.00321 152 8D-1 0.00146 -0.00762 -0.00127 0.00332 -0.00240 153 8D+2 -0.00001 0.00248 -0.00368 0.00238 -0.00258 154 8D-2 0.00080 -0.00561 0.00060 0.00208 0.00471 155 8 Cu 1S -0.00034 -0.00082 0.00136 -0.00119 -0.00175 156 2S 0.00912 -0.01286 -0.02559 0.01734 0.02647 157 3S 0.27104 -0.77423 -1.00463 0.64969 0.98386 158 4PX 0.02040 0.01069 0.00074 0.04323 0.06082 159 4PY 0.00438 -0.00359 -0.03004 0.03113 0.01804 160 4PZ 0.02577 0.00275 0.02757 -0.00464 -0.03718 161 5PX -0.08472 -0.11106 -0.06307 -0.19990 -0.27951 162 5PY -0.01095 0.00401 0.12162 -0.13488 -0.09839 163 5PZ -0.15022 0.00079 -0.10968 0.03953 0.16730 164 6PX 1.21756 0.29463 -0.83576 0.11987 0.24090 165 6PY 0.08935 -0.63685 0.43409 -0.13491 0.97005 166 6PZ 2.06238 0.61945 -0.37013 -0.97851 -0.15481 167 7D 0 -0.01662 -0.02451 -0.00025 -0.00258 0.00343 168 7D+1 0.02817 0.01708 0.01182 -0.02082 0.00846 169 7D-1 0.01603 -0.01026 -0.03696 -0.00547 -0.00749 170 7D+2 0.02297 0.04002 -0.00309 -0.00425 -0.00049 171 7D-2 0.01936 -0.02037 -0.01234 -0.01441 0.01663 172 8D 0 -0.00368 -0.00450 -0.00115 -0.00750 0.00230 173 8D+1 0.00435 0.00046 0.00653 -0.00422 -0.00140 174 8D-1 0.00170 0.00019 -0.00550 -0.00286 -0.00458 175 8D+2 0.00487 0.00781 0.00164 -0.00129 0.00565 176 8D-2 0.00401 -0.00089 -0.00697 -0.00020 0.00434 177 9 C 1S 0.00000 -0.02304 -0.02226 -0.00052 0.00047 178 2S 0.00019 0.06706 0.06047 0.00117 -0.00108 179 3S -0.00068 0.19285 0.12222 0.00456 -0.00395 180 4PX -0.06998 -0.02618 -0.00883 -0.03686 -0.04919 181 4PY 0.03250 0.05180 0.01693 -0.04497 0.01233 182 4PZ 0.07309 -0.04791 -0.01655 -0.03047 0.04135 183 5PX -0.07081 0.05819 -0.03838 -0.05150 -0.06744 184 5PY 0.03207 -0.11711 0.07672 -0.06036 0.01607 185 5PZ 0.07567 0.10845 -0.07118 -0.04336 0.05796 186 10 O 1S -0.00022 -0.01335 0.01666 0.00031 -0.00025 187 2S 0.00066 0.04550 -0.05391 -0.00099 0.00079 188 3S 0.00088 0.01630 -0.05910 -0.00106 0.00093 189 4PX 0.04501 0.01883 0.00408 0.01919 0.02471 190 4PY -0.02108 -0.03679 -0.00872 0.02317 -0.00596 191 4PZ -0.04686 0.03588 0.00662 0.01546 -0.02057 192 5PX 0.03517 0.02162 -0.00137 0.02338 0.03122 193 5PY -0.01634 -0.04318 0.00297 0.02890 -0.00795 194 5PZ -0.03687 0.03999 -0.00249 0.01903 -0.02586 111 112 113 114 115 V V V V V EIGENVALUES -- 0.08091 0.08093 0.08225 0.08551 0.08571 1 1 Cu 1S -0.00014 0.00128 0.00228 -0.00001 -0.00146 2 2S 0.00674 -0.06527 0.02449 -0.00013 -0.02956 3 3S 0.20721 -1.99641 0.29902 -0.00179 -0.53031 4 4PX 0.00622 -0.00675 -0.00770 0.01316 -0.00599 5 4PY 0.00044 -0.01192 -0.00633 -0.00246 -0.01057 6 4PZ -0.00293 -0.00772 -0.00923 -0.00959 -0.00508 7 5PX -0.02424 0.03988 0.02700 -0.09725 0.02502 8 5PY -0.00855 0.10923 0.02132 0.01771 0.04306 9 5PZ 0.00974 0.03373 0.03243 0.07035 0.01889 10 6PX -1.83031 -1.28596 -0.88712 2.81607 0.37236 11 6PY 0.37139 -0.30112 0.74581 -0.53142 -3.80628 12 6PZ 1.56428 -1.28628 -1.36013 -2.00712 1.67223 13 7D 0 -0.00294 0.00638 0.00266 0.02647 -0.01004 14 7D+1 -0.00396 0.02760 -0.00125 -0.01205 0.01464 15 7D-1 -0.01316 0.02292 -0.00921 -0.00686 0.00073 16 7D+2 0.00620 0.00303 0.00206 -0.01032 -0.02348 17 7D-2 0.01167 0.02207 -0.00759 0.01704 0.01009 18 8D 0 0.00064 0.00079 0.00072 0.00114 0.00023 19 8D+1 -0.00077 0.00346 -0.00259 -0.00052 0.00270 20 8D-1 -0.00102 0.00359 -0.00290 -0.00043 0.00004 21 8D+2 -0.00007 0.00032 0.00170 -0.00037 -0.00122 22 8D-2 0.00076 0.00319 -0.00313 0.00091 0.00062 23 2 Cu 1S 0.00129 0.00094 0.00064 -0.00003 -0.00043 24 2S -0.03193 -0.02368 -0.03699 -0.00081 -0.00762 25 3S -1.05934 -0.77622 -0.59429 -0.02452 -0.20501 26 4PX -0.01232 -0.00703 0.05247 -0.00002 -0.00383 27 4PY -0.01122 0.00288 0.00636 0.01162 0.00303 28 4PZ 0.00046 0.01165 -0.00819 0.01222 0.00312 29 5PX 0.10798 0.06820 -0.30162 -0.00168 -0.00708 30 5PY 0.06144 0.00841 -0.00695 -0.04110 -0.03007 31 5PZ -0.02567 -0.05658 0.01814 -0.04526 -0.05080 32 6PX 1.30684 1.00763 1.39785 0.10646 2.94636 33 6PY 0.39828 1.06263 -1.00867 -5.88246 -0.18342 34 6PZ -1.17031 0.05036 0.87911 -5.67847 4.76108 35 7D 0 -0.00673 0.03186 0.02266 -0.01564 0.02949 36 7D+1 0.02647 -0.01155 -0.00821 0.02422 -0.00909 37 7D-1 -0.00099 -0.00187 -0.00406 -0.00050 -0.00784 38 7D+2 -0.02768 -0.00257 -0.04148 -0.00982 -0.00438 39 7D-2 0.00263 -0.02766 0.01198 0.02399 -0.00653 40 8D 0 -0.00212 0.00876 0.00457 0.00145 0.00218 41 8D+1 0.00547 -0.00273 -0.00184 0.00359 -0.00052 42 8D-1 -0.00099 -0.00092 0.00311 -0.00025 -0.00114 43 8D+2 -0.00746 -0.00028 -0.00817 0.00096 0.00103 44 8D-2 0.00096 -0.00583 0.00266 0.00342 -0.00051 45 3 Cu 1S -0.00001 0.00002 0.00103 0.00000 0.00001 46 2S -0.00121 0.00241 0.11409 0.00021 0.00058 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67 4 Cu 1S -0.00144 0.00065 0.00062 0.00002 -0.00033 68 2S 0.03625 -0.01665 -0.03615 0.00062 -0.00607 69 3S 1.19713 -0.54212 -0.57304 0.02115 -0.16277 70 4PX -0.00407 0.01291 -0.02148 -0.01394 0.00508 71 4PY 0.01337 0.00199 0.01988 -0.00902 0.00224 72 4PZ 0.00907 -0.00119 0.04513 -0.00205 -0.00203 73 5PX 0.05446 -0.06040 0.10339 0.04991 -0.05634 74 5PY -0.09197 0.01464 -0.08080 0.03136 -0.02824 75 5PZ -0.08411 0.02595 -0.27364 0.00864 -0.01760 76 6PX 1.33697 0.29054 0.18662 6.71500 3.40851 77 6PY -1.08754 1.05700 -0.80298 4.68073 0.22875 78 6PZ -0.94019 0.59569 1.70571 0.90206 3.49222 79 7D 0 0.00760 -0.00994 -0.04444 -0.00520 -0.01198 80 7D+1 -0.02418 -0.00331 0.01851 -0.01856 0.00731 81 7D-1 0.01539 -0.02478 -0.00768 -0.01649 -0.01025 82 7D+2 0.01769 0.03628 -0.00484 0.02878 0.02258 83 7D-2 -0.01332 -0.00895 -0.00280 -0.00762 -0.01371 84 8D 0 0.00277 -0.00248 -0.00935 -0.00129 0.00005 85 8D+1 -0.00535 0.00012 0.00334 -0.00419 0.00061 86 8D-1 0.00371 -0.00538 0.00012 -0.00277 -0.00046 87 8D+2 0.00499 0.00940 0.00057 0.00045 0.00218 88 8D-2 -0.00250 -0.00299 0.00264 0.00069 -0.00176 89 5 Cu 1S 0.00000 -0.00006 -0.00576 -0.00001 -0.00011 90 2S 0.00079 -0.00127 -0.05323 -0.00008 -0.00079 91 3S 0.01495 -0.02665 -1.47995 -0.00217 -0.02060 92 4PX 0.01444 0.01076 0.00324 0.00092 0.01008 93 4PY -0.00426 0.01338 -0.00713 -0.00004 0.01263 94 4PZ -0.01195 0.00826 0.00584 -0.00051 0.00862 95 5PX -0.09157 -0.06928 -0.08959 -0.00473 -0.05002 96 5PY 0.02634 -0.08171 0.18376 0.00037 -0.05869 97 5PZ 0.07693 -0.05487 -0.16545 0.00244 -0.04384 98 6PX 3.58332 2.73639 0.62494 -0.36933 -4.46821 99 6PY -1.01539 3.32935 -1.37027 -0.00089 -5.80436 100 6PZ -3.01459 2.13502 1.16448 0.19865 -3.75223 101 7D 0 0.02548 -0.01171 -0.00160 0.00048 -0.00506 102 7D+1 -0.00978 0.00018 -0.00742 -0.00028 -0.00262 103 7D-1 0.00138 0.00227 0.01453 -0.00007 -0.00004 104 7D+2 -0.01051 -0.02408 0.00637 -0.00028 -0.00808 105 7D-2 0.00353 0.01064 0.00757 0.00029 0.00279 106 8D 0 0.00609 -0.00257 -0.00172 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-0.05460 -0.35711 -0.15926 10 6PX 0.97698 -0.03094 -0.74185 -0.21371 0.11880 11 6PY -0.45277 0.14884 0.20920 0.03670 -1.55856 12 6PZ -0.56790 -0.34426 0.44169 0.15479 0.59641 13 7D 0 0.00589 0.01176 -0.00025 -0.00866 -0.01239 14 7D+1 -0.00259 0.00185 0.00270 0.00343 -0.02580 15 7D-1 -0.00452 0.00851 0.00445 -0.00065 -0.02548 16 7D+2 -0.00282 0.02010 0.00440 0.00465 -0.01343 17 7D-2 0.00866 0.00002 -0.00304 -0.00170 -0.01784 18 8D 0 0.00040 0.00364 0.00015 -0.00593 -0.00178 19 8D+1 -0.00018 0.00121 0.00055 0.00223 -0.00531 20 8D-1 -0.00116 -0.00075 -0.00019 -0.00123 -0.00629 21 8D+2 0.00030 0.00466 0.00126 0.00360 -0.00191 22 8D-2 0.00162 -0.00221 -0.00005 -0.00010 -0.00469 23 2 Cu 1S 0.00065 0.00000 -0.00014 0.00001 0.00157 24 2S 0.00969 -0.00182 0.00420 -0.00019 -0.02306 25 3S 0.27550 -0.00100 0.07359 -0.00413 -0.90740 26 4PX 0.00664 0.01431 -0.01849 -0.00026 0.03130 27 4PY 0.00328 -0.00503 0.02371 -0.02827 0.04157 28 4PZ 0.00229 0.02554 -0.00604 -0.02875 -0.03980 29 5PX 0.00328 -0.09983 0.12854 0.00190 -0.22088 30 5PY -0.04693 0.01430 -0.13689 0.19012 -0.25905 31 5PZ -0.01540 -0.15271 0.01944 0.19442 0.24943 32 6PX -4.17173 -0.02521 0.08858 -0.05445 0.41447 33 6PY 4.95080 1.07328 0.54379 -1.96936 1.25723 34 6PZ -2.15457 0.93820 1.02693 -2.06281 -1.13452 35 7D 0 0.00018 0.00673 0.01063 -0.01819 -0.01063 36 7D+1 -0.00213 0.00197 0.01528 -0.04660 0.02776 37 7D-1 0.00998 0.04429 -0.05260 0.00339 -0.03438 38 7D+2 0.03054 0.01393 -0.00660 -0.01257 0.01447 39 7D-2 -0.00696 0.01873 -0.00240 -0.04369 -0.02958 40 8D 0 0.00148 0.00093 0.00228 -0.00350 -0.00251 41 8D+1 0.00003 0.00091 0.00549 -0.01506 0.00707 42 8D-1 0.00151 0.01300 -0.01542 0.00095 -0.00837 43 8D+2 0.00117 0.00358 -0.00228 -0.00273 0.00344 44 8D-2 -0.00022 0.00652 -0.00072 -0.01419 -0.00742 45 3 Cu 1S 0.00001 0.00005 0.00006 -0.00001 -0.00188 46 2S 0.00062 0.00029 0.00029 -0.00004 -0.00552 47 3S 0.01327 0.00359 0.00264 -0.00005 0.06384 48 4PX 0.00000 -0.04706 0.05272 -0.00136 0.01641 49 4PY 0.00002 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-0.32275 0.01102 -0.01072 0.00264 -0.91898 70 4PX -0.00061 0.01865 0.00360 0.03296 -0.03686 71 4PY -0.00349 0.00193 -0.02360 0.02256 0.05252 72 4PZ -0.00628 0.01345 0.02880 0.00513 0.01049 73 5PX 0.01987 -0.11763 -0.00365 -0.22264 0.23953 74 5PY 0.03594 -0.02531 0.12538 -0.15162 -0.33554 75 5PZ -0.01141 -0.08684 -0.18377 -0.03490 -0.08789 76 6PX 0.15756 1.39980 -0.54707 2.34560 -0.95541 77 6PY -4.14234 0.97026 -0.14837 1.56617 1.51552 78 6PZ 5.98750 0.20744 -0.26154 0.41055 -0.27604 79 7D 0 -0.02383 0.00210 -0.00767 0.01685 0.03949 80 7D+1 0.01257 0.01090 -0.02029 0.05406 0.00551 81 7D-1 -0.01067 0.02486 0.03741 0.03533 -0.03072 82 7D+2 -0.01674 0.01440 0.02442 -0.00588 -0.01024 83 7D-2 -0.00264 0.01235 0.04912 -0.00916 -0.01372 84 8D 0 -0.00025 0.00067 -0.00269 0.00523 0.00961 85 8D+1 -0.00027 0.00342 -0.00629 0.01653 0.00153 86 8D-1 -0.00071 0.00797 0.01127 0.01127 -0.00767 87 8D+2 -0.00185 0.00260 0.00764 -0.00418 -0.00243 88 8D-2 -0.00080 0.00409 0.01392 -0.00184 -0.00311 89 5 Cu 1S -0.00009 0.00016 0.00021 -0.00001 -0.00491 90 2S -0.00042 0.00382 0.00526 -0.00019 -0.12761 91 3S -0.01220 -0.01050 -0.00518 -0.00039 -0.33619 92 4PX -0.01380 -0.03218 0.03579 -0.00095 0.01335 93 4PY 0.00329 -0.03406 -0.01237 0.00015 -0.02701 94 4PZ 0.01136 -0.02100 -0.03481 0.00074 0.02231 95 5PX 0.06524 0.17295 -0.19402 0.00560 -0.09231 96 5PY -0.01362 0.18490 0.06785 -0.00102 0.18486 97 5PZ -0.05652 0.11226 0.18768 -0.00431 -0.15949 98 6PX 6.30989 -0.90216 1.07665 -0.01728 -0.62266 99 6PY -1.59843 -1.06216 -0.44693 0.00747 1.28186 100 6PZ -5.04111 -0.54486 -0.91676 0.01192 -1.16998 101 7D 0 -0.00826 -0.00714 0.01881 -0.00034 -0.01378 102 7D+1 0.00314 -0.04577 -0.00872 0.00003 -0.05003 103 7D-1 0.00161 -0.02533 0.02546 -0.00043 0.09723 104 7D+2 0.00278 0.01932 -0.02374 0.00045 0.03872 105 7D-2 -0.00401 -0.01940 -0.04340 0.00080 0.04991 106 8D 0 -0.00499 -0.00237 0.00386 -0.00004 -0.00498 107 8D+1 0.00190 -0.01228 -0.00182 -0.00001 -0.01719 108 8D-1 0.00075 -0.00677 0.00664 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7D+2 -0.01721 -0.01879 0.00093 0.01792 -0.04188 149 7D-2 0.00224 -0.02107 0.01552 0.05150 -0.00567 150 8D 0 0.00245 0.00434 0.00130 -0.00170 -0.00317 151 8D+1 -0.00116 0.01411 0.00144 -0.00141 0.00389 152 8D-1 0.00029 -0.01201 -0.00613 -0.01196 -0.00815 153 8D+2 -0.00139 -0.00617 0.00111 0.00672 -0.01036 154 8D-2 0.00046 -0.00648 0.00477 0.01562 -0.00150 155 8 Cu 1S -0.00122 -0.00114 0.00109 -0.00004 0.00492 156 2S -0.02461 0.00600 -0.01267 0.00021 0.07993 157 3S -0.44001 0.30956 -0.42378 0.01297 0.87757 158 4PX 0.01057 0.03969 -0.04837 -0.00015 0.02468 159 4PY 0.00145 -0.01975 0.05036 -0.05646 -0.02579 160 4PZ -0.00212 0.04425 -0.02793 -0.05692 0.02548 161 5PX -0.04266 -0.31225 0.38588 0.00136 -0.25071 162 5PY -0.00386 0.15966 -0.39926 0.44019 0.20553 163 5PZ 0.01078 -0.34949 0.22470 0.44289 -0.20158 164 6PX 2.41036 -0.01622 -0.03842 0.00264 1.23991 165 6PY -2.06977 0.34294 0.59611 -0.21117 -0.83286 166 6PZ 1.41097 0.59405 0.21214 -0.20058 0.81165 167 7D 0 -0.00893 -0.00771 0.00349 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0.30909 -0.59783 12 6PZ -2.62248 -1.68980 -0.01798 1.01095 0.48882 13 7D 0 -0.02239 -0.01358 0.00927 0.04483 0.03932 14 7D+1 0.00902 0.00154 -0.02452 -0.01659 0.02892 15 7D-1 0.00033 -0.00439 -0.01447 -0.00299 0.03949 16 7D+2 0.00747 -0.02930 0.01039 -0.02254 0.06019 17 7D-2 -0.00653 0.00813 -0.01520 0.02246 0.01096 18 8D 0 -0.00847 -0.00392 0.00155 0.00607 0.01063 19 8D+1 0.00258 -0.00350 -0.00564 -0.00177 0.01086 20 8D-1 -0.00218 0.00279 -0.00343 0.00091 0.00931 21 8D+2 0.00479 -0.00526 0.00263 -0.00386 0.01384 22 8D-2 0.00118 0.00314 -0.00428 0.00189 0.00334 23 2 Cu 1S -0.00064 0.00047 -0.00668 -0.00862 -0.00735 24 2S -0.01442 0.01047 -0.07547 -0.09711 -0.10202 25 3S -0.33331 0.23692 -1.35881 -1.74250 -2.28515 26 4PX -0.02233 0.01510 0.02754 0.03538 0.00116 27 4PY 0.00764 -0.03415 0.01036 0.02073 -0.01787 28 4PZ -0.03392 -0.00591 -0.01803 -0.01530 0.01754 29 5PX 0.18348 -0.12414 -0.24446 -0.31765 -0.15136 30 5PY -0.06298 0.28432 -0.03690 -0.24493 0.30137 31 5PZ 0.28180 0.04919 0.23492 0.09414 -0.29252 32 6PX -4.10121 2.76239 1.45276 1.85885 0.22803 33 6PY 0.97763 -6.36109 0.64668 0.60796 0.44770 34 6PZ -6.16529 -1.50331 -0.45014 -0.81214 -0.41952 35 7D 0 -0.01170 -0.00766 0.02998 -0.04071 -0.02824 36 7D+1 0.00844 0.00896 -0.00502 -0.07326 -0.02579 37 7D-1 -0.00384 0.00271 -0.00591 -0.00180 -0.05605 38 7D+2 0.00281 -0.01045 0.04032 0.00246 0.04580 39 7D-2 0.00494 0.01113 0.06799 0.02561 0.02225 40 8D 0 0.00154 0.00060 0.00485 -0.00985 -0.00640 41 8D+1 0.00103 0.00364 0.00042 -0.02073 -0.01111 42 8D-1 -0.00097 0.00041 -0.00173 -0.00075 -0.02400 43 8D+2 -0.00070 0.00171 0.01063 0.00325 0.00957 44 8D-2 0.00306 0.00192 0.01968 0.00528 0.01027 45 3 Cu 1S 0.00000 -0.00001 -0.00002 0.00002 -0.01257 46 2S 0.00019 0.00001 -0.00007 0.00002 -0.01929 47 3S 0.00343 0.00261 0.00051 -0.00102 0.94910 48 4PX 0.03596 -0.02645 -0.05738 -0.07046 -0.00508 49 4PY -0.01005 -0.03305 -0.06680 0.02318 0.01038 50 4PZ -0.02971 -0.02088 -0.04024 0.06198 -0.00939 51 5PX -0.28689 0.21117 0.59307 0.72866 0.07141 52 5PY 0.08022 0.26348 0.69033 -0.23971 -0.14452 53 5PZ 0.23685 0.16678 0.41576 -0.64076 0.13226 54 6PX -3.33709 2.49574 -0.80445 -0.99128 0.12088 55 6PY 0.93064 3.11376 -0.93629 0.32615 -0.23852 56 6PZ 2.75902 1.97270 -0.56432 0.87165 0.23785 57 7D 0 -0.03300 -0.01430 0.01532 -0.04076 0.00153 58 7D+1 0.01261 0.00500 -0.00594 0.01563 0.00512 59 7D-1 -0.00461 0.00482 -0.00624 -0.00567 -0.00999 60 7D+2 0.01555 -0.03225 0.03961 0.01726 -0.00397 61 7D-2 -0.00090 0.01539 -0.01865 -0.00003 -0.00515 62 8D 0 -0.01116 -0.00671 0.00184 -0.00457 -0.00016 63 8D+1 0.00432 -0.00434 -0.00027 0.00174 -0.00043 64 8D-1 0.00222 -0.00081 -0.00052 -0.00041 0.00097 65 8D+2 0.00318 -0.01080 0.00445 0.00180 0.00038 66 8D-2 -0.00584 0.00344 -0.00199 -0.00038 0.00057 67 4 Cu 1S 0.00072 0.00034 -0.00409 0.01011 -0.00747 68 2S 0.01610 0.00743 -0.04621 0.11408 -0.10257 69 3S 0.36711 0.16573 -0.83137 2.05152 -2.27231 70 4PX 0.01940 -0.02182 -0.01618 0.02510 0.01187 71 4PY -0.01291 -0.02639 0.00999 -0.03454 -0.02017 72 4PZ 0.03604 0.01102 0.01060 -0.02848 0.00983 73 5PX -0.16177 0.18126 0.23636 -0.19575 -0.15657 74 5PY 0.10752 0.21997 -0.03533 0.34569 0.30557 75 5PZ -0.29707 -0.09062 -0.07718 0.25547 -0.28730 76 6PX 3.54562 -4.41213 -0.35474 1.29970 -0.35265 77 6PY -1.98268 -4.94774 0.67207 -1.38245 0.53310 78 6PZ 6.50675 1.91452 0.68181 -1.60610 0.00369 79 7D 0 -0.00993 -0.00155 0.00752 0.02934 0.02840 80 7D+1 0.00035 0.00799 0.03972 0.06329 -0.03520 81 7D-1 -0.00306 0.00739 0.05729 -0.04910 0.02103 82 7D+2 0.00907 -0.01652 0.02395 0.01317 -0.02092 83 7D-2 0.00128 0.00707 -0.03519 0.02706 -0.06502 84 8D 0 0.00167 0.00217 0.00311 0.00613 0.00266 85 8D+1 -0.00200 0.00363 0.01106 0.01819 -0.00959 86 8D-1 -0.00136 0.00239 0.01675 -0.01305 0.00540 87 8D+2 0.00067 -0.00017 0.00260 0.00198 -0.00954 88 8D-2 0.00149 -0.00006 -0.00822 0.00813 -0.02678 89 5 Cu 1S 0.00001 -0.00001 0.00005 0.00000 0.00201 90 2S -0.00038 -0.00070 0.00054 0.00002 0.13779 91 3S -0.00101 -0.00150 0.01666 -0.01232 5.11898 92 4PX -0.02002 0.01507 -0.00456 -0.00616 -0.01019 93 4PY 0.00554 0.01885 -0.00545 0.00210 0.01986 94 4PZ 0.01658 0.01189 -0.00328 0.00544 -0.01981 95 5PX 0.16451 -0.12347 0.14072 0.17926 0.33243 96 5PY -0.04564 -0.15543 0.16387 -0.05898 -0.65833 97 5PZ -0.13586 -0.09710 0.10098 -0.16039 0.62569 98 6PX -4.14895 3.12649 0.44055 0.52473 -0.93362 99 6PY 1.15191 3.91249 0.51356 -0.17236 1.83492 100 6PZ 3.41836 2.45881 0.30312 -0.45418 -1.78111 101 7D 0 -0.00445 -0.00693 0.00004 0.03760 0.01059 102 7D+1 0.00180 -0.01560 0.05149 -0.01619 0.03761 103 7D-1 0.00973 -0.00594 0.02545 0.03328 -0.07491 104 7D+2 -0.00356 -0.00380 -0.03804 -0.03172 -0.03037 105 7D-2 -0.01507 -0.00282 0.02877 -0.04258 -0.04023 106 8D 0 -0.00054 -0.00202 0.00177 0.00474 0.00756 107 8D+1 0.00024 -0.00573 0.01224 -0.00233 0.02598 108 8D-1 0.00366 -0.00228 0.00558 0.00784 -0.05196 109 8D+2 -0.00177 -0.00038 -0.00502 -0.00600 -0.02101 110 8D-2 -0.00540 -0.00149 0.00506 -0.01075 -0.02796 111 6 Cu 1S -0.00061 -0.00029 0.00321 -0.00801 -0.00363 112 2S -0.01109 -0.00510 0.01299 -0.03252 0.00592 113 3S -0.16279 -0.07301 0.02313 -0.06420 0.45433 114 4PX -0.01760 0.03149 -0.06540 -0.03312 0.02802 115 4PY -0.00287 0.02517 -0.04496 -0.01904 -0.05108 116 4PZ -0.01403 0.00031 -0.02571 0.02991 0.03625 117 5PX 0.14248 -0.27468 0.70987 0.38302 -0.49407 118 5PY 0.03377 -0.21195 0.50161 0.18862 0.86737 119 5PZ 0.13429 0.00383 0.29573 -0.36373 -0.50403 120 6PX 2.11376 -2.88377 -1.25995 -0.69854 0.24267 121 6PY -0.93761 -3.00584 -0.93883 -0.23422 -0.49299 122 6PZ 3.72981 1.03782 -0.40526 0.34435 0.55089 123 7D 0 -0.02861 -0.01450 0.00151 -0.01559 -0.06682 124 7D+1 0.00821 -0.00310 -0.02355 0.00986 -0.01431 125 7D-1 0.00574 0.00286 0.00303 -0.01435 0.04528 126 7D+2 0.01068 -0.02043 -0.04775 -0.01399 -0.00385 127 7D-2 -0.00216 0.01034 0.01376 0.02776 -0.02676 128 8D 0 -0.00640 -0.00221 0.00124 -0.00344 -0.01632 129 8D+1 0.00195 0.00236 -0.00247 0.00378 -0.00411 130 8D-1 -0.00295 0.00155 0.00205 -0.00313 0.01101 131 8D+2 0.00215 -0.00927 -0.00697 -0.00149 -0.00243 132 8D-2 -0.00443 0.00177 0.00083 0.00581 -0.01025 133 7 Cu 1S -0.00007 -0.00082 0.01075 -0.00151 -0.00727 134 2S -0.00163 -0.01807 0.12139 -0.01698 -0.10133 135 3S -0.03941 -0.41219 2.18305 -0.30446 -2.28441 136 4PX 0.02614 -0.01082 0.02998 -0.00959 0.01154 137 4PY -0.00109 0.03875 0.02784 -0.00291 -0.01098 138 4PZ -0.02144 -0.01901 0.03657 -0.00115 0.01894 139 5PX -0.21755 0.09089 -0.26359 0.18031 -0.15059 140 5PY 0.00943 -0.32007 -0.24399 0.00867 0.30303 141 5PZ 0.17834 0.15883 -0.34977 -0.05530 -0.28821 142 6PX 5.15616 -1.82236 1.42336 -0.03186 -0.38471 143 6PY -0.26901 6.97069 1.62020 -0.25566 0.02873 144 6PZ -4.13567 -3.14404 1.54059 -0.33379 -0.53733 145 7D 0 -0.01604 -0.00232 -0.02213 -0.02816 0.00284 146 7D+1 0.00553 0.00367 -0.03883 0.02503 0.06852 147 7D-1 -0.00790 0.00123 -0.05683 0.04630 0.02001 148 7D+2 0.01098 -0.00982 -0.02612 0.00064 -0.03047 149 7D-2 0.00638 0.00343 -0.05045 -0.05379 0.03472 150 8D 0 0.00020 0.00159 -0.00447 -0.00421 0.00603 151 8D+1 -0.00042 0.00135 -0.01099 0.00551 0.02778 152 8D-1 -0.00297 0.00041 -0.01556 0.01371 0.00439 153 8D+2 0.00160 0.00169 -0.00565 -0.00245 -0.00556 154 8D-2 0.00397 -0.00080 -0.01464 -0.01490 0.00888 155 8 Cu 1S 0.00056 -0.00040 0.00526 0.00682 -0.00368 156 2S 0.01014 -0.00707 0.02129 0.02769 0.00492 157 3S 0.14797 -0.10192 0.03818 0.06006 0.45506 158 4PX 0.00782 -0.00478 -0.02340 -0.02772 0.01436 159 4PY 0.01027 0.02993 -0.04347 0.04433 -0.04871 160 4PZ 0.02502 0.02083 -0.05469 0.03387 0.04686 161 5PX -0.08273 0.05238 0.28390 0.34160 -0.13075 162 5PY -0.09231 -0.25425 0.48344 -0.47877 0.80476 163 5PZ -0.21013 -0.18214 0.59326 -0.37982 -0.77511 164 6PX -2.37220 1.60332 -0.33851 -0.38909 0.33500 165 6PY 0.30816 -3.84654 -0.96324 0.72828 -0.51722 166 6PZ -3.64585 -1.15937 -0.96606 0.78994 0.50155 167 7D 0 -0.02413 -0.01021 -0.04800 0.01958 0.01496 168 7D+1 0.01182 -0.00523 -0.00560 -0.00956 -0.05670 169 7D-1 -0.00531 0.00491 -0.00703 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-0.08665 -0.00449 14 7D+1 -0.00414 0.01289 -0.05731 0.03701 0.00857 15 7D-1 -0.01111 -0.04629 0.06575 0.00637 0.01028 16 7D+2 -0.04707 0.05729 -0.05202 0.04119 0.05504 17 7D-2 0.00802 0.05960 0.04452 -0.03394 -0.03422 18 8D 0 0.00729 -0.02821 -0.01444 -0.02963 0.00425 19 8D+1 -0.00231 0.00899 -0.00392 0.01107 0.00318 20 8D-1 0.00162 -0.00635 0.00547 -0.00690 -0.00512 21 8D+2 0.01331 0.01268 -0.02871 0.01853 0.01701 22 8D-2 -0.00390 0.00381 0.01230 0.00056 -0.00533 23 2 Cu 1S 0.01928 -0.00194 0.00152 -0.00009 0.00305 24 2S 0.10261 -0.01201 0.00897 -0.00058 0.00784 25 3S 1.31252 0.43287 -0.34442 0.00084 -0.50499 26 4PX -0.00141 -0.03726 0.02769 -0.00161 -0.03557 27 4PY 0.01426 0.00257 -0.06597 -0.06382 0.04794 28 4PZ -0.01380 -0.06310 -0.01599 -0.06598 -0.00778 29 5PX 0.08483 0.52972 -0.39495 0.03102 0.77084 30 5PY -0.34016 -0.09445 0.99086 1.29560 -0.93356 31 5PZ 0.32447 0.95862 0.18589 1.34172 0.05399 32 6PX -0.16579 -0.83777 0.63450 -0.06906 -1.09085 33 6PY 0.13751 0.14369 -1.13330 -2.71664 1.78729 34 6PZ -0.15023 -1.11841 -0.17328 -2.80906 -0.34726 35 7D 0 0.01616 0.03001 0.02035 0.06166 0.00601 36 7D+1 0.00766 0.00742 0.04144 -0.03989 0.00263 37 7D-1 0.00911 0.04532 -0.03850 -0.00162 -0.01794 38 7D+2 -0.02808 0.00345 0.02585 0.03375 -0.05076 39 7D-2 -0.00659 0.03950 0.01298 -0.04021 0.02044 40 8D 0 0.00680 0.01292 0.00621 0.02468 0.00309 41 8D+1 -0.00069 -0.00094 0.00859 -0.01631 0.00731 42 8D-1 0.00161 0.00961 -0.00852 -0.00067 -0.00483 43 8D+2 -0.01147 -0.00270 0.01207 0.01356 -0.01871 44 8D-2 0.00132 0.00904 -0.00011 -0.01634 0.01059 45 3 Cu 1S 0.00167 0.00008 0.00003 -0.00003 0.00034 46 2S 0.00070 0.00068 0.00024 0.00006 -0.00080 47 3S -0.96229 -0.00039 0.00256 0.00739 -0.10214 48 4PX 0.00631 -0.03788 0.03127 0.00019 -0.01740 49 4PY -0.01265 0.01254 0.03632 0.00017 0.01512 50 4PZ 0.01110 0.03313 0.02164 -0.00010 0.02807 51 5PX -0.07832 0.75420 -0.62457 -0.00428 0.49442 52 5PY 0.15659 -0.24881 -0.72436 -0.00434 -0.43609 53 5PZ -0.13076 -0.66135 -0.43300 0.00179 -0.78517 54 6PX 0.06161 -0.85296 0.70231 0.01037 -0.76337 55 6PY -0.13704 0.27905 0.81192 0.00176 0.70422 56 6PZ 0.07955 0.74991 0.48681 -0.00075 1.13061 57 7D 0 -0.00135 -0.07841 -0.05605 0.00008 -0.10689 58 7D+1 -0.00844 0.02662 -0.07381 0.00002 0.03875 59 7D-1 0.01610 0.04075 -0.02474 0.00015 -0.00474 60 7D+2 0.00681 0.00389 -0.07469 -0.00060 0.00753 61 7D-2 0.00871 -0.07861 0.01497 0.00010 0.01187 62 8D 0 0.00013 -0.02655 -0.01389 0.00001 -0.03962 63 8D+1 -0.00141 0.00970 -0.00847 -0.00006 0.00766 64 8D-1 0.00252 0.00375 -0.00117 -0.00005 0.00538 65 8D+2 0.00114 0.00707 -0.02583 -0.00020 -0.00267 66 8D-2 0.00138 -0.01120 0.00928 0.00009 -0.01180 67 4 Cu 1S 0.01933 0.00235 0.00089 0.00004 -0.00458 68 2S 0.10309 0.01393 0.00527 0.00015 -0.00420 69 3S 1.33821 -0.50850 -0.20458 -0.00904 1.21214 70 4PX -0.00960 0.03449 -0.04989 0.07549 0.01272 71 4PY 0.01659 -0.01905 -0.05075 0.05064 -0.04410 72 4PZ -0.00939 0.06196 0.01408 0.01326 0.08716 73 5PX 0.21070 -0.53789 0.69774 -1.53464 -0.14473 74 5PY -0.38120 0.34628 0.75779 -1.02849 0.73724 75 5PZ 0.26257 -0.91381 -0.21372 -0.26846 -1.78875 76 6PX -0.06334 0.54516 -0.79163 3.21679 0.67683 77 6PY 0.16257 -0.37815 -0.83487 2.15724 -1.84855 78 6PZ -0.29885 1.31037 0.35394 0.56400 2.84833 79 7D 0 -0.02176 0.02650 0.02751 0.00689 0.07864 80 7D+1 0.01911 -0.01472 0.04896 0.01573 -0.03435 81 7D-1 -0.01459 -0.04463 0.01503 0.02540 0.02278 82 7D+2 0.00264 -0.02635 0.00630 -0.08016 0.01899 83 7D-2 0.01517 -0.03268 -0.03028 0.02847 0.02823 84 8D 0 -0.01198 0.01276 0.00870 0.00290 0.02819 85 8D+1 0.00629 -0.00590 0.00974 0.00666 -0.01481 86 8D-1 -0.00334 -0.00861 0.00258 0.01046 0.01024 87 8D+2 -0.00008 -0.00769 0.00723 -0.03225 0.00584 88 8D-2 0.00205 -0.00614 -0.00886 0.01139 0.00637 89 5 Cu 1S -0.05664 -0.00017 -0.00003 -0.00005 -0.00025 90 2S -0.36533 -0.00064 0.00019 -0.00048 -0.00085 91 3S 5.84944 0.03813 0.01905 -0.01095 0.09979 92 4PX 0.02031 -0.05579 0.04460 -0.00067 0.05460 93 4PY -0.04003 0.01872 0.05223 -0.00009 -0.05036 94 4PZ 0.03855 0.04961 0.03129 0.00015 -0.08241 95 5PX 0.46080 0.92744 -0.73750 0.01184 -0.99009 96 5PY -0.93438 -0.31889 -0.86795 0.00146 0.91101 97 5PZ 0.83481 -0.81386 -0.51704 -0.00157 1.49855 98 6PX -0.85896 -0.45710 0.32512 -0.01364 1.41693 99 6PY 1.74813 0.16941 0.39396 -0.00404 -1.29091 100 6PZ -1.54125 0.39887 0.23328 0.00291 -2.13990 101 7D 0 0.00152 0.01471 -0.01038 0.00019 -0.06133 102 7D+1 -0.00016 -0.00743 -0.05295 -0.00026 0.01624 103 7D-1 0.00036 0.03268 -0.02461 -0.00011 0.00404 104 7D+2 0.00108 -0.02373 0.01501 -0.00029 -0.00030 105 7D-2 0.00043 -0.04757 -0.01940 0.00018 -0.00698 106 8D 0 0.00703 0.00541 -0.00218 0.00004 -0.02217 107 8D+1 0.02399 -0.00239 -0.01426 -0.00003 0.00502 108 8D-1 -0.04808 0.00869 -0.00704 -0.00007 0.00232 109 8D+2 -0.01947 -0.00717 0.00535 -0.00011 -0.00096 110 8D-2 -0.02587 -0.01316 -0.00601 0.00005 -0.00483 111 6 Cu 1S 0.00464 0.00188 0.00081 -0.00013 -0.00392 112 2S 0.02604 0.00273 0.00136 -0.00055 -0.00116 113 3S -2.85447 -0.54606 -0.21329 0.00972 0.54258 114 4PX -0.01438 0.02221 -0.03880 -0.02436 -0.00436 115 4PY 0.02269 -0.00698 -0.03484 -0.01639 0.01309 116 4PZ -0.00453 0.04060 0.00786 -0.00423 -0.02406 117 5PX 0.38846 -0.46934 0.84518 0.74007 0.14549 118 5PY -0.50573 0.16402 0.75977 0.49967 -0.45287 119 5PZ -0.29000 -0.98430 -0.21310 0.12905 0.84274 120 6PX 0.50410 0.49846 -0.70711 -1.40084 -0.26006 121 6PY -0.69754 -0.25394 -0.69959 -0.93636 0.79669 122 6PZ -0.21200 0.82169 0.16329 -0.24189 -1.36887 123 7D 0 0.05182 -0.07693 -0.00915 -0.00720 0.11285 124 7D+1 -0.00559 0.02119 0.07082 -0.03060 -0.02644 125 7D-1 -0.01444 -0.06907 0.03168 -0.00216 -0.01295 126 7D+2 0.00036 0.00225 -0.09755 -0.09468 -0.00070 127 7D-2 0.00452 -0.06202 0.00218 0.04329 -0.00825 128 8D 0 -0.01570 -0.03188 -0.01075 0.00146 0.03644 129 8D+1 0.00404 0.00905 0.00735 0.00223 -0.01246 130 8D-1 0.00188 -0.00505 0.00656 0.00789 0.00302 131 8D+2 0.00066 0.00884 -0.02870 -0.03391 0.00372 132 8D-2 0.00189 -0.00705 0.00927 0.01300 0.00440 133 7 Cu 1S 0.01928 -0.00034 -0.00253 0.00005 0.00275 134 2S 0.10300 -0.00231 -0.01561 0.00012 0.00773 135 3S 1.31331 0.07804 0.53579 -0.01404 -0.41667 136 4PX -0.00921 0.05593 -0.02073 -0.07369 -0.02921 137 4PY 0.00888 -0.00131 0.06629 0.01341 0.04451 138 4PZ -0.01480 -0.04590 -0.02784 0.05269 -0.00194 139 5PX 0.19991 -0.79294 0.34829 1.49567 0.57660 140 5PY -0.25669 0.01346 -0.98762 -0.27215 -0.91660 141 5PZ 0.33669 0.66955 0.48014 -1.07136 -0.06708 142 6PX -0.02818 0.91591 -0.31716 -3.14143 -1.14819 143 6PY 0.18554 0.02077 1.40715 0.56761 1.49698 144 6PZ -0.09644 -0.75896 -0.52124 2.24747 -0.16636 145 7D 0 0.00723 0.01962 0.00062 -0.06870 0.00296 146 7D+1 -0.01639 -0.01962 -0.03833 0.02451 0.01858 147 7D-1 -0.01504 -0.02785 0.03924 -0.02369 -0.02193 148 7D+2 0.01665 0.01231 0.04120 0.04695 0.03917 149 7D-2 -0.01971 0.05096 -0.00214 0.01153 -0.01648 150 8D 0 0.00537 0.01029 0.00353 -0.02748 -0.00087 151 8D+1 -0.00289 -0.00631 -0.00792 0.00979 0.00437 152 8D-1 -0.00353 -0.00546 0.00699 -0.00966 -0.01272 153 8D+2 0.00926 0.00039 0.01556 0.01882 0.01678 154 8D-2 -0.00641 0.01105 -0.00382 0.00485 -0.00175 155 8 Cu 1S 0.00497 -0.00149 0.00136 -0.00003 0.00261 156 2S 0.02662 -0.00177 0.00250 0.00017 -0.00023 157 3S -2.85899 0.43986 -0.35279 0.01285 -0.43829 158 4PX 0.00471 -0.02532 0.01827 0.00036 0.01133 159 4PY 0.01975 -0.00424 -0.04426 0.02047 -0.00904 160 4PZ -0.01856 -0.04159 -0.01685 0.02131 0.00526 161 5PX -0.48841 0.62797 -0.46093 -0.01151 -0.37812 162 5PY -0.35824 0.06312 0.97751 -0.62368 0.35308 163 5PZ 0.34465 0.92113 0.34893 -0.64758 -0.15640 164 6PX -0.51665 -0.48027 0.33486 0.03096 0.51940 165 6PY -0.49616 0.00312 -0.89164 1.17751 -0.87294 166 6PZ 0.50234 -0.87310 -0.26541 1.21859 0.09626 167 7D 0 -0.01982 -0.06792 -0.01510 0.09311 -0.00436 168 7D+1 0.02582 0.05442 0.05760 -0.00609 -0.02482 169 7D-1 -0.00626 0.05964 -0.04630 -0.00449 0.01373 170 7D+2 0.03315 0.04920 -0.07221 0.05403 -0.06378 171 7D-2 -0.02948 0.04002 0.06684 -0.00930 0.02015 172 8D 0 0.00723 -0.02764 -0.00910 0.02787 0.00582 173 8D+1 -0.00524 0.01526 0.00449 -0.01322 -0.00192 174 8D-1 0.00393 0.00216 -0.00060 -0.00101 -0.00171 175 8D+2 -0.01125 0.01376 -0.02741 0.01561 -0.01897 176 8D-2 0.00624 -0.00061 0.01721 -0.01360 0.00947 177 9 C 1S -0.00977 0.00027 0.00029 -0.00002 -0.00003 178 2S 0.04418 0.00057 0.00039 0.00007 -0.00006 179 3S -0.10276 -0.01196 -0.01094 -0.00005 0.00439 180 4PX 0.02711 0.00536 -0.00412 -0.00136 0.09537 181 4PY -0.05722 -0.00200 -0.00514 -0.00023 -0.08727 182 4PZ 0.04883 -0.00429 -0.00280 0.00037 -0.14598 183 5PX 0.74515 -0.22631 0.18781 -0.00154 0.15630 184 5PY -1.49434 0.06882 0.21356 -0.00045 -0.14763 185 5PZ 1.37911 0.21223 0.13380 0.00046 -0.22681 186 10 O 1S 0.07492 0.00025 0.00001 -0.00002 0.00066 187 2S -0.10223 -0.00054 -0.00025 0.00005 -0.00087 188 3S -1.25421 -0.00287 0.00126 0.00018 -0.01044 189 4PX 0.05457 0.00640 -0.00420 0.00061 -0.04411 190 4PY -0.11004 -0.00239 -0.00466 0.00012 0.03999 191 4PZ 0.09964 -0.00603 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7D+2 0.08142 0.04668 -0.01989 0.00062 0.01492 17 7D-2 -0.01904 -0.03594 -0.06447 0.00472 -0.06172 18 8D 0 0.02110 -0.00108 0.00176 0.00981 -0.00139 19 8D+1 0.00254 -0.00745 -0.00947 0.03046 -0.00715 20 8D-1 -0.00411 -0.01265 -0.00309 0.01809 -0.00799 21 8D+2 0.02425 -0.00161 -0.00326 0.00086 -0.00065 22 8D-2 -0.01378 -0.00982 -0.00503 0.01641 -0.00658 23 2 Cu 1S -0.00393 -0.00028 0.00878 0.00852 -0.01625 24 2S -0.00475 0.05456 -0.00564 -0.00811 -0.12342 25 3S 0.96332 3.49939 -3.24244 -3.28987 -1.97806 26 4PX 0.05651 0.01520 -0.00103 -0.00046 -0.04045 27 4PY -0.03090 -0.01992 -0.03484 0.01668 0.00255 28 4PZ 0.05404 0.01801 -0.01837 0.03588 -0.00115 29 5PX -1.22380 -0.43563 -0.16544 -0.19883 1.08115 30 5PY 0.50114 0.65397 1.35204 -0.63904 -0.25570 31 5PZ -1.01475 -0.59750 0.69868 -1.38410 0.21116 32 6PX 1.71707 0.04331 0.30538 0.28480 0.68574 33 6PY -1.26924 -0.01563 0.38734 -0.03234 -0.31635 34 6PZ 2.07448 0.00067 0.04318 -0.41737 0.31047 35 7D 0 -0.04705 -0.01024 0.05105 -0.07918 0.00558 36 7D+1 0.02036 0.06816 0.00956 -0.01820 -0.02569 37 7D-1 0.02921 0.03629 -0.02266 -0.01519 0.10013 38 7D+2 0.05539 0.01784 0.06141 -0.01555 -0.00015 39 7D-2 -0.00982 -0.07154 0.01336 -0.00919 0.03126 40 8D 0 -0.01763 -0.00018 0.02327 -0.03818 0.00878 41 8D+1 0.00826 0.02743 0.00441 -0.01299 -0.00931 42 8D-1 0.00796 0.01507 -0.00988 -0.00651 0.02628 43 8D+2 0.02177 0.00023 0.03032 -0.00635 -0.01223 44 8D-2 0.00175 -0.02867 0.01056 -0.00416 0.01144 45 3 Cu 1S -0.00001 0.01094 -0.00001 -0.00019 0.01050 46 2S -0.00037 -0.08909 -0.00076 -0.00054 0.18628 47 3S -0.00547 -5.38466 -0.03319 0.01534 6.54498 48 4PX 0.02844 0.03130 -0.01808 -0.01874 -0.03772 49 4PY 0.01999 -0.06204 0.00847 -0.01815 0.07531 50 4PZ 0.00655 0.05803 0.01945 -0.00939 -0.07073 51 5PX -0.80658 -0.77368 0.34489 0.36393 0.93989 52 5PY -0.57415 1.53238 -0.15968 0.35105 -1.88534 53 5PZ -0.18346 -1.43137 -0.37276 0.18243 1.76653 54 6PX 1.21817 -0.34465 0.09139 0.09044 0.17057 55 6PY 0.86988 0.70164 -0.04537 0.08952 -0.33143 56 6PZ 0.27835 -0.68003 -0.10008 0.04749 0.32405 57 7D 0 -0.00336 -0.00506 0.00000 0.02044 0.01501 58 7D+1 -0.00158 -0.02037 -0.01197 0.06852 0.04863 59 7D-1 0.01763 0.03965 0.03920 0.03460 -0.09654 60 7D+2 -0.10354 0.01530 -0.02394 -0.00747 -0.03912 61 7D-2 0.04318 0.02097 -0.06556 0.01085 -0.05139 62 8D 0 -0.00618 -0.00377 -0.00297 0.00190 0.00304 63 8D+1 -0.01634 -0.01314 0.00053 0.00339 0.00950 64 8D-1 -0.00431 0.02590 0.00163 0.00136 -0.01923 65 8D+2 -0.03435 0.01035 -0.00024 0.00281 -0.00781 66 8D-2 0.01622 0.01398 -0.00304 -0.00084 -0.01018 67 4 Cu 1S -0.00008 -0.00021 -0.01156 0.00320 -0.01598 68 2S 0.00107 0.05413 0.01014 -0.00341 -0.12186 69 3S 0.08185 3.45844 4.41886 -1.25852 -1.96229 70 4PX 0.02743 0.00821 0.00317 0.04437 0.01134 71 4PY 0.01637 -0.01742 0.02174 0.02378 -0.00651 72 4PZ 0.00893 0.02133 -0.00325 0.00865 -0.03814 73 5PX -0.59684 -0.29408 -0.20300 -1.68386 -0.18417 74 5PY -0.37111 0.60815 -0.77794 -0.93605 -0.03846 75 5PZ -0.18862 -0.67062 0.39025 -0.40949 1.11686 76 6PX 0.97675 -0.01242 0.19351 -0.43215 0.01274 77 6PY 0.53799 0.04113 -0.41853 -0.13076 -0.21510 78 6PZ 0.30606 -0.00685 -0.28331 0.00798 0.80962 79 7D 0 0.00532 0.06659 -0.03170 -0.00681 -0.03364 80 7D+1 0.00240 0.02222 0.00453 -0.05968 -0.01667 81 7D-1 0.00832 -0.04673 -0.01418 -0.01886 0.06296 82 7D+2 -0.02606 0.01741 -0.01293 -0.07922 0.03811 83 7D-2 0.01117 0.06226 0.03883 0.03337 0.07087 84 8D 0 0.00387 0.02069 -0.01399 -0.00452 -0.02243 85 8D+1 0.00673 0.01274 0.00366 -0.03181 0.00141 86 8D-1 0.00765 -0.02143 -0.01098 -0.01011 0.01418 87 8D+2 -0.01186 0.00702 -0.00575 -0.03602 0.00934 88 8D-2 0.00368 0.02655 0.01932 0.01539 0.01888 89 5 Cu 1S -0.00048 0.04780 -0.00030 0.00007 0.04761 90 2S -0.00364 0.42945 -0.00244 0.00063 0.36392 91 3S -0.00377 6.74008 -0.03436 0.00182 6.67089 92 4PX -0.08936 0.01052 0.03155 0.03324 0.02902 93 4PY -0.06373 -0.02135 -0.01500 0.03186 -0.05698 94 4PZ -0.02071 0.02257 -0.03341 0.01670 0.05377 95 5PX 1.62018 -0.52846 -1.25858 -1.31616 -0.92681 96 5PY 1.15040 1.06382 0.60879 -1.27646 1.82049 97 5PZ 0.37805 -1.03895 1.32609 -0.66064 -1.70883 98 6PX -2.28728 -0.20564 -0.79829 -0.83849 -0.14971 99 6PY -1.63937 0.36221 0.38881 -0.81746 0.25711 100 6PZ -0.51512 -0.34959 0.84675 -0.42628 -0.30006 101 7D 0 -0.00613 -0.00226 -0.07372 0.00904 -0.00172 102 7D+1 -0.01447 -0.00716 0.03327 -0.03717 -0.00477 103 7D-1 0.00120 0.01353 -0.02536 -0.02742 0.01142 104 7D+2 -0.05550 0.00486 0.03254 0.07525 0.00513 105 7D-2 0.02510 0.00700 0.03283 -0.03706 0.00683 106 8D 0 -0.00296 -0.00387 -0.02432 0.00173 -0.00655 107 8D+1 -0.00744 -0.01251 0.01185 -0.01715 -0.01981 108 8D-1 -0.00132 0.02459 -0.01124 -0.01178 0.03981 109 8D+2 -0.01988 0.00964 0.01251 0.02584 0.01582 110 8D-2 0.00915 0.01321 0.01584 -0.01344 0.02132 111 6 Cu 1S -0.00026 0.01523 0.00144 -0.00022 -0.00179 112 2S -0.00044 -0.04477 0.15738 -0.04220 -0.06061 113 3S 0.01838 -3.92600 7.15951 -1.97249 -2.41528 114 4PX -0.00238 -0.02956 0.05324 -0.03562 -0.01567 115 4PY -0.00042 0.03247 -0.08094 0.00798 0.01216 116 4PZ -0.00170 0.04557 -0.04063 0.00726 0.04385 117 5PX 0.12429 0.62280 -1.50014 0.84565 0.41275 118 5PY 0.04613 -0.66689 2.16315 -0.30192 -0.31647 119 5PZ 0.06700 -1.01115 1.25540 -0.26880 -1.18450 120 6PX -0.52614 0.35256 -0.41039 0.28519 0.04636 121 6PY -0.30402 -0.46807 0.54761 -0.03135 0.00299 122 6PZ -0.16287 -0.23654 0.59814 -0.13239 -0.26901 123 7D 0 0.00128 -0.05283 -0.00965 0.02262 -0.03792 124 7D+1 -0.02249 0.03561 -0.00546 0.06726 0.05636 125 7D-1 -0.00796 -0.01648 0.03378 0.03395 -0.07540 126 7D+2 -0.03270 0.01361 -0.02107 0.00439 -0.02424 127 7D-2 0.01686 0.04552 -0.06496 0.00600 -0.02388 128 8D 0 0.00275 -0.00025 -0.00361 0.00139 0.00063 129 8D+1 0.00133 0.01002 -0.01658 0.00587 0.00646 130 8D-1 0.00264 -0.01310 0.01967 -0.00356 -0.00829 131 8D+2 -0.00592 0.00007 -0.00950 -0.00282 0.00119 132 8D-2 0.00234 0.00667 -0.02846 0.00969 0.00666 133 7 Cu 1S 0.00472 -0.00054 0.00315 -0.01190 -0.01678 134 2S 0.00898 0.05299 -0.00150 0.00933 -0.12804 135 3S -0.98308 3.51732 -1.13202 4.48467 -2.07033 136 4PX 0.00120 0.00823 0.04344 0.00170 0.01330 137 4PY 0.07685 -0.02408 -0.00914 0.00366 0.03868 138 4PZ -0.04412 0.01680 -0.02631 -0.02150 0.00891 139 5PX -0.15152 -0.28949 -1.64382 -0.16093 -0.22872 140 5PY -1.57363 0.74091 0.41716 -0.40982 -1.14309 141 5PZ 0.76684 -0.56892 1.02042 0.76339 -0.02427 142 6PX -0.16326 -0.00574 -0.41454 0.22393 -0.03705 143 6PY 2.54860 -0.02990 0.00086 0.22938 -0.78200 144 6PZ -1.80642 -0.00853 0.14896 0.44971 0.16003 145 7D 0 0.05723 -0.04933 0.07331 0.02590 -0.00801 146 7D+1 0.01980 -0.06546 -0.02766 -0.03871 -0.06953 147 7D-1 -0.02518 -0.03803 -0.02384 -0.01480 0.06127 148 7D+2 0.04330 -0.05475 -0.03244 0.01915 0.05071 149 7D-2 -0.03769 -0.01703 0.06175 -0.00421 0.01834 150 8D 0 0.02016 -0.01672 0.03332 0.01171 0.00521 151 8D+1 0.00324 -0.02776 -0.01273 -0.01930 -0.01884 152 8D-1 -0.00848 -0.01809 -0.01235 -0.01132 0.01293 153 8D+2 0.01427 -0.01707 -0.01325 0.00833 0.02410 154 8D-2 -0.01779 -0.01106 0.03250 -0.00378 -0.00157 155 8 Cu 1S -0.00371 0.01499 -0.00109 -0.00074 -0.00178 156 2S -0.00156 -0.04526 -0.11598 -0.11356 -0.06191 157 3S 0.51271 -3.90749 -5.26390 -5.24505 -2.47822 158 4PX -0.01618 0.05817 0.05295 0.05182 0.04882 159 4PY 0.01212 0.01723 0.05203 0.02727 0.00146 160 4PZ -0.01333 -0.01778 -0.02727 -0.05187 -0.00231 161 5PX 0.55957 -1.26102 -1.54435 -1.52757 -1.31645 162 5PY -0.39729 -0.34531 -1.30222 -0.79125 -0.02759 163 5PZ 0.47890 0.35987 0.79911 1.29969 0.04990 164 6PX -0.85735 -0.44867 -0.59251 -0.57682 -0.26117 165 6PY 0.52992 -0.30546 -0.31329 -0.11539 0.04743 166 6PZ -0.97659 0.32554 0.12990 0.33073 -0.03580 167 7D 0 -0.06425 0.03568 -0.01264 0.02424 0.03908 168 7D+1 0.02948 0.00968 -0.00933 0.06505 0.02798 169 7D-1 -0.01575 0.03998 0.03886 0.03471 -0.05569 170 7D+2 0.06022 -0.05726 -0.01994 0.00341 -0.07327 171 7D-2 -0.04110 -0.00589 -0.06254 0.00832 -0.02812 172 8D 0 -0.01778 0.00463 0.00836 0.00301 0.00324 173 8D+1 0.01063 0.01049 0.01443 0.01804 0.00752 174 8D-1 0.00323 0.00046 0.01423 0.01416 0.00274 175 8D+2 0.02478 -0.00859 -0.00812 -0.01130 -0.00577 176 8D-2 -0.00807 -0.01047 -0.01805 -0.01395 -0.00748 177 9 C 1S -0.00010 0.03021 -0.00012 -0.00006 -0.01075 178 2S 0.00058 -0.11834 -0.00038 0.00042 -0.00757 179 3S 0.00054 -0.15233 0.00667 -0.00087 0.52378 180 4PX -0.15811 0.01363 -0.02142 -0.02033 0.00114 181 4PY -0.11212 -0.03033 0.01107 -0.02071 -0.00294 182 4PZ -0.03703 0.02623 0.02337 -0.01102 -0.00232 183 5PX -0.25019 -0.11376 0.22254 0.23468 -0.18407 184 5PY -0.18368 0.22875 -0.10751 0.22605 0.37316 185 5PZ -0.05519 -0.19804 -0.23603 0.11922 -0.34051 186 10 O 1S 0.00021 -0.00551 0.00008 0.00000 0.00780 187 2S -0.00012 0.00294 -0.00002 -0.00004 -0.04609 188 3S -0.00412 0.12411 -0.00188 0.00032 0.05708 189 4PX 0.07190 -0.01731 -0.02723 -0.02663 0.00076 190 4PY 0.05101 0.03554 0.01291 -0.02591 -0.00205 191 4PZ 0.01656 -0.03395 0.02899 -0.01325 0.00118 192 5PX 0.07670 -0.01003 -0.03526 -0.03886 0.02301 193 5PY 0.05393 0.02110 0.01634 -0.03719 -0.04607 194 5PZ 0.01849 -0.02065 0.03845 -0.01967 0.04432 136 137 138 139 140 V V V V V EIGENVALUES -- 0.32175 0.32185 0.34635 0.39753 0.39839 1 1 Cu 1S 0.00256 -0.01632 0.01027 -0.00966 0.02618 2 2S 0.01177 -0.06708 -0.07238 -0.03351 0.09448 3 3S -0.22685 1.66690 -3.95756 0.14883 -0.24607 4 4PX -0.00980 0.00151 -0.02350 -0.00878 0.00139 5 4PY 0.00370 -0.00877 -0.04849 -0.00560 0.02128 6 4PZ 0.00610 0.00760 -0.02017 0.00546 0.00277 7 5PX 0.70967 -0.02475 0.74473 0.34851 -0.01974 8 5PY -0.17555 0.27164 0.59550 -0.10458 0.08879 9 5PZ -0.46898 -0.34819 0.85480 -0.15510 -0.29589 10 6PX 0.07709 -0.03531 0.41570 -0.41086 -0.64090 11 6PY 0.00743 -0.16291 0.39163 -0.06426 0.47589 12 6PZ -0.05480 -0.03363 0.50446 0.65311 -0.54555 13 7D 0 0.04074 0.04097 0.00065 0.03325 0.02053 14 7D+1 -0.02767 0.05203 0.01461 -0.02732 0.02616 15 7D-1 -0.00279 0.04024 0.00667 0.00159 -0.00851 16 7D+2 -0.03011 0.03042 -0.00884 -0.01334 -0.01711 17 7D-2 0.00398 0.02553 0.01066 0.01184 0.00696 18 8D 0 0.01994 0.00330 -0.02021 -0.00822 0.01219 19 8D+1 -0.00525 -0.00443 -0.02272 0.00812 -0.01474 20 8D-1 0.01319 -0.00665 -0.00710 -0.00419 0.02013 21 8D+2 -0.01545 -0.00345 -0.02244 -0.01346 0.03837 22 8D-2 -0.00893 -0.00822 -0.00063 -0.00428 -0.00350 23 2 Cu 1S -0.01290 -0.01057 0.01058 -0.00429 -0.00531 24 2S -0.23808 -0.19163 0.14241 -0.08119 -0.09507 25 3S -8.85502 -7.08017 4.14392 -3.14126 -3.62400 26 4PX -0.08156 -0.06724 0.01236 -0.01215 -0.01445 27 4PY -0.04004 -0.04349 0.03202 -0.02316 -0.02270 28 4PZ 0.05256 0.02895 -0.03098 0.01836 0.02561 29 5PX 2.49237 2.09997 0.35439 0.49968 0.63297 30 5PY 0.57670 1.60464 -1.56439 0.42465 0.74303 31 5PZ -1.79610 -0.16270 1.42343 -0.69283 -0.49680 32 6PX 1.07306 0.87741 -0.15017 0.13232 0.15458 33 6PY 0.64421 0.41055 -0.21806 0.96657 0.48873 34 6PZ -0.53988 -0.53280 0.21850 -0.31818 -1.02040 35 7D 0 -0.02190 0.07021 0.05675 0.00506 -0.00948 36 7D+1 0.07413 -0.04064 -0.01462 0.03273 -0.01889 37 7D-1 -0.00014 -0.00271 -0.05235 0.01828 0.02398 38 7D+2 -0.05793 -0.00751 -0.10523 0.01493 0.00059 39 7D-2 0.02485 -0.07764 0.02529 0.02300 -0.02708 40 8D 0 0.00472 0.01226 0.00874 -0.00824 0.01220 41 8D+1 0.03503 -0.00397 0.00215 0.00168 0.01092 42 8D-1 -0.00175 -0.00074 -0.00778 -0.00925 -0.01215 43 8D+2 -0.01735 -0.01231 -0.01727 -0.01223 -0.00136 44 8D-2 -0.00327 -0.03379 -0.00013 -0.00989 -0.00430 45 3 Cu 1S -0.00033 0.00069 0.02891 -0.00058 0.00033 46 2S -0.00169 0.00377 0.11452 -0.00238 0.00143 47 3S -0.03255 0.05337 0.37704 -0.02126 0.01451 48 4PX -0.01148 -0.01021 -0.00468 -0.00298 -0.00412 49 4PY 0.00390 -0.01041 0.00953 0.00182 -0.00327 50 4PZ 0.01088 -0.00710 -0.00847 0.00406 -0.00163 51 5PX 0.63663 0.55957 0.21168 0.08802 0.12271 52 5PY -0.21921 0.59343 -0.43789 -0.05060 0.09373 53 5PZ -0.60136 0.38044 0.38305 -0.12515 0.05003 54 6PX 0.06055 0.05598 0.01021 -0.29112 -0.35188 55 6PY -0.01768 0.05513 -0.02330 0.18905 -0.29524 56 6PZ -0.05800 0.03666 0.02491 0.35771 -0.12656 57 7D 0 -0.04696 0.02241 -0.00838 0.01269 0.00516 58 7D+1 0.01702 0.01264 -0.02600 -0.01114 0.02369 59 7D-1 0.00458 0.00158 0.05082 0.01242 0.01607 60 7D+2 0.01159 0.04551 0.01980 -0.01094 -0.01614 61 7D-2 -0.01777 -0.01677 0.02614 -0.02461 0.00743 62 8D 0 -0.02323 0.01295 0.00345 -0.01040 -0.00260 63 8D+1 0.00747 0.01301 0.01315 0.00750 -0.01404 64 8D-1 0.00701 0.00290 -0.02588 -0.00727 -0.01012 65 8D+2 0.00377 0.02121 -0.01068 0.00704 0.01231 66 8D-2 -0.01420 -0.00698 -0.01347 0.01473 -0.00570 67 4 Cu 1S 0.01492 -0.00570 0.01119 0.00641 -0.00115 68 2S 0.28151 -0.10476 0.15415 0.11962 -0.01946 69 3S 10.56571 -3.89507 4.56816 4.63281 -0.73401 70 4PX -0.07091 0.01430 -0.02782 -0.02590 0.00742 71 4PY 0.08070 -0.03760 0.04244 0.03943 -0.00413 72 4PZ 0.06393 -0.02657 -0.00284 0.00202 0.00011 73 5PX 2.24239 0.34958 0.95838 0.81699 0.09110 74 5PY -1.94948 1.49185 -1.74302 -1.05166 0.31184 75 5PZ -2.10090 1.01958 1.00653 -0.34978 0.10810 76 6PX 0.83963 -0.41125 0.23587 0.64529 -0.61469 77 6PY -1.11533 0.34538 -0.33434 -1.20700 -0.15101 78 6PZ -0.85563 0.30850 -0.06427 0.29175 -0.12964 79 7D 0 0.01428 -0.02724 -0.10545 -0.01044 -0.01236 80 7D+1 -0.05923 -0.03236 0.05227 -0.00460 -0.04085 81 7D-1 0.02871 -0.06811 -0.04032 -0.01209 -0.02747 82 7D+2 0.03868 0.09573 -0.02860 -0.01086 0.00957 83 7D-2 -0.02886 -0.02256 -0.04120 -0.02557 0.00927 84 8D 0 -0.00247 -0.00751 -0.01375 -0.00078 0.00338 85 8D+1 -0.03041 -0.01271 0.00987 -0.00808 0.01275 86 8D-1 0.02369 -0.02850 -0.00905 0.01844 0.00236 87 8D+2 0.00731 0.01690 -0.00420 0.00786 0.00994 88 8D-2 -0.01340 0.00210 -0.00385 0.00574 -0.00751 89 5 Cu 1S 0.00044 -0.00014 0.00021 -0.00019 0.00012 90 2S 0.00323 -0.00081 -0.01079 -0.00249 0.00193 91 3S 0.00001 0.07790 0.00836 -0.07485 0.06319 92 4PX -0.02726 -0.02570 -0.05248 -0.00940 -0.01412 93 4PY 0.00812 -0.02553 0.10662 0.00518 -0.01068 94 4PZ 0.02754 -0.01780 -0.09679 0.01377 -0.00576 95 5PX 0.98652 0.89403 1.36142 0.62027 0.83492 96 5PY -0.31337 0.94011 -2.79269 -0.38329 0.68407 97 5PZ -0.96681 0.60126 2.49134 -0.81060 0.31192 98 6PX -0.39944 -0.33480 0.25659 2.11511 2.74621 99 6PY 0.15049 -0.38648 -0.55822 -1.38136 2.30952 100 6PZ 0.35363 -0.21255 0.42221 -2.62222 1.00452 101 7D 0 0.07708 -0.04777 0.00204 -0.01118 -0.00017 102 7D+1 -0.02480 -0.05868 0.00243 0.00569 -0.00676 103 7D-1 -0.03106 -0.01857 -0.00373 -0.00382 -0.00605 104 7D+2 -0.00683 -0.07140 -0.00034 0.00453 0.01146 105 7D-2 0.06243 0.01902 -0.00150 0.00777 -0.00527 106 8D 0 0.01285 -0.01278 0.00034 -0.03138 0.01395 107 8D+1 -0.00307 -0.02560 0.00173 0.00294 0.02957 108 8D-1 -0.01496 -0.01002 -0.00248 0.01343 0.01323 109 8D+2 0.00460 -0.01102 -0.00086 -0.00532 0.02591 110 8D-2 0.02594 -0.00048 -0.00135 -0.02887 -0.01077 111 6 Cu 1S -0.01638 0.00624 0.01093 0.02701 -0.00470 112 2S -0.06183 0.02168 -0.07144 0.10504 -0.01925 113 3S 1.83448 -0.75057 -3.95423 0.00761 -0.03411 114 4PX 0.00072 -0.01118 -0.02131 0.00356 -0.00924 115 4PY -0.01009 -0.00288 0.01941 -0.00175 -0.00510 116 4PZ 0.00518 -0.00288 0.04934 -0.02553 0.00339 117 5PX 0.07606 0.74981 0.67282 -0.12112 0.36653 118 5PY 0.48797 0.31690 -0.85474 0.31215 0.16629 119 5PZ -0.17139 0.18327 -0.69720 -0.02190 0.05524 120 6PX -0.03507 0.09994 0.39208 -0.54828 -0.54625 121 6PY 0.06809 0.02451 -0.45553 0.69106 -0.55300 122 6PZ 0.18251 -0.06321 -0.41372 -0.37162 -0.04926 123 7D 0 -0.04107 0.01520 0.00494 0.00858 -0.00405 124 7D+1 -0.02776 0.00372 -0.01005 -0.00564 -0.01107 125 7D-1 0.04576 -0.01157 0.00897 -0.00829 0.00146 126 7D+2 -0.03044 -0.04453 -0.00436 -0.02133 -0.03909 127 7D-2 -0.04145 0.03858 -0.01810 -0.02957 0.02413 128 8D 0 0.00026 0.00456 0.02608 -0.04259 0.00890 129 8D+1 0.00971 0.00877 0.00247 0.00119 0.00466 130 8D-1 -0.00334 0.01404 -0.01012 0.02455 -0.00184 131 8D+2 -0.00927 -0.02191 0.00838 0.01011 0.00212 132 8D-2 0.00416 0.00645 0.02240 0.01503 -0.00483 133 7 Cu 1S -0.00295 0.01696 0.01084 -0.00253 0.00675 134 2S -0.05266 0.30456 0.13563 -0.04575 0.11895 135 3S -1.93346 11.20614 3.75415 -1.74311 4.49862 136 4PX 0.00252 -0.07764 -0.02371 0.01320 -0.02570 137 4PY 0.01189 -0.06130 0.00751 -0.00101 0.00063 138 4PZ 0.02329 -0.08909 -0.03479 0.01231 -0.03824 139 5PX 0.68568 2.28362 0.85874 -0.11586 0.87435 140 5PY -0.50978 2.03689 -1.21076 -0.10188 0.22360 141 5PZ -1.18551 2.29927 1.45335 -0.55125 1.00067 142 6PX -0.25788 0.96405 0.16195 -0.70214 0.53087 143 6PY -0.11454 0.81542 -0.02909 0.21278 -0.30160 144 6PZ -0.13625 1.17289 0.23880 -0.09758 1.18327 145 7D 0 -0.08353 -0.02154 0.06875 -0.00767 0.01319 146 7D+1 0.02098 0.02753 0.03625 -0.01399 0.02418 147 7D-1 -0.05873 0.03992 -0.05158 -0.02377 -0.02095 148 7D+2 0.06827 0.00207 0.07522 0.01225 0.00907 149 7D-2 0.03876 0.04972 -0.05835 0.04094 0.00833 150 8D 0 -0.01382 -0.00084 0.00871 -0.00906 -0.00674 151 8D+1 -0.00025 0.01496 0.00271 0.00758 -0.00410 152 8D-1 -0.02363 0.02729 -0.01283 -0.00067 0.01905 153 8D+2 0.01500 0.00654 0.00892 0.00063 0.00577 154 8D-2 0.01761 0.02638 -0.01201 -0.01430 0.00599 155 8 Cu 1S 0.01307 0.01114 0.01048 -0.01750 -0.02144 156 2S 0.05265 0.04127 -0.07306 -0.06313 -0.08093 157 3S -1.36737 -1.26127 -3.97683 0.17447 0.07139 158 4PX -0.00365 -0.00130 0.05714 0.01371 0.01864 159 4PY 0.01120 -0.00140 0.00585 0.00237 -0.00791 160 4PZ -0.00001 -0.01149 -0.00627 0.00815 -0.00176 161 5PX 0.08817 0.05785 -1.03033 -0.00594 -0.03496 162 5PY -0.61183 0.26130 -0.58028 -0.34755 0.00359 163 5PZ -0.18551 0.68423 0.53333 -0.10421 0.35621 164 6PX -0.13862 -0.13533 -0.61263 0.05669 0.03394 165 6PY -0.03679 0.04968 -0.28298 -0.03822 -0.89162 166 6PZ -0.05006 0.05437 0.32315 0.83527 0.17329 167 7D 0 0.03044 -0.03664 -0.00496 0.03489 -0.02209 168 7D+1 0.03704 0.04703 -0.00769 -0.00107 0.00565 169 7D-1 0.02036 0.01812 -0.01217 0.02239 0.02927 170 7D+2 0.01493 -0.02103 0.01385 0.01425 -0.01956 171 7D-2 -0.05450 -0.02818 0.00716 -0.00569 0.00157 172 8D 0 0.00752 -0.01419 -0.00678 -0.01346 -0.00834 173 8D+1 -0.01588 0.01030 0.02066 0.01106 0.01879 174 8D-1 0.00089 0.00161 0.01540 -0.01870 -0.02268 175 8D+2 0.00977 -0.00220 0.01299 0.01128 0.01937 176 8D-2 -0.00639 0.01669 -0.02334 -0.01736 -0.01789 177 9 C 1S -0.00115 0.00138 0.08184 -0.00101 0.00052 178 2S 0.00018 -0.00058 -0.08480 0.00273 -0.00166 179 3S 0.03945 -0.04392 -2.57458 0.02697 -0.01305 180 4PX -0.19215 -0.16862 -0.02680 0.47441 0.60569 181 4PY 0.06627 -0.18232 0.05568 -0.30708 0.50464 182 4PZ 0.17946 -0.11174 -0.05636 -0.59315 0.22340 183 5PX 0.05642 0.04583 -0.00643 -1.05720 -1.35380 184 5PY -0.01943 0.05923 0.03290 0.68635 -1.13035 185 5PZ -0.05297 0.02706 0.01148 1.31575 -0.49763 186 10 O 1S 0.00070 -0.00095 -0.04629 0.00023 -0.00009 187 2S -0.00164 0.00193 0.10242 -0.00071 0.00031 188 3S -0.00945 0.01451 0.64727 -0.00209 0.00050 189 4PX 0.02238 0.01783 -0.06112 0.08108 0.10200 190 4PY -0.00945 0.02343 0.12179 -0.05331 0.08597 191 4PZ -0.01786 0.01000 -0.11429 -0.09889 0.03684 192 5PX 0.02190 0.01464 -0.14292 0.07274 0.09230 193 5PY -0.01116 0.02411 0.28501 -0.04878 0.07858 194 5PZ -0.01447 0.00657 -0.26508 -0.08731 0.03330 141 142 143 144 145 V V V V V EIGENVALUES -- 0.53540 0.64052 0.65949 0.66001 0.67440 1 1 Cu 1S -0.02293 0.18224 0.06150 -0.00592 -0.12759 2 2S -0.02845 0.36242 0.09334 -0.00973 -0.20662 3 3S -0.21118 -2.79891 -0.88711 0.11645 3.23641 4 4PX -0.00097 -0.00264 -0.00358 0.00368 0.00223 5 4PY 0.00616 -0.00113 0.00567 -0.00079 0.00426 6 4PZ -0.00288 -0.00345 -0.00660 -0.00217 0.00120 7 5PX -0.04474 0.31931 0.20936 -0.30887 -0.39874 8 5PY 0.06598 0.28074 0.09184 0.03849 -0.45592 9 5PZ -0.07769 0.38664 0.29929 0.18545 -0.50393 10 6PX -0.08891 0.34693 0.03134 0.05658 -0.15215 11 6PY 0.35826 0.30184 -0.38687 0.00654 -0.16421 12 6PZ -0.20744 0.40637 0.13781 -0.06428 -0.31833 13 7D 0 -0.02399 -0.02459 -0.01982 -0.08341 -0.04609 14 7D+1 -0.00923 -0.01515 -0.03018 0.04286 0.09282 15 7D-1 -0.00828 0.02872 -0.16322 0.02730 -0.00117 16 7D+2 -0.03608 -0.01893 -0.06513 0.03707 -0.08592 17 7D-2 0.00617 0.02382 -0.10614 -0.04586 0.09480 18 8D 0 0.03560 0.01708 0.02226 0.07774 0.06745 19 8D+1 0.02038 -0.00787 0.02217 -0.04365 -0.10111 20 8D-1 0.02101 -0.05814 0.22635 -0.04673 0.03510 21 8D+2 0.05275 0.01154 0.09858 -0.02732 0.11518 22 8D-2 -0.00129 -0.04474 0.14252 0.06521 -0.10996 23 2 Cu 1S 0.02016 -0.03651 0.00833 -0.02400 0.08870 24 2S 0.01661 -0.05091 -0.01438 0.01485 0.15395 25 3S -0.67102 2.16293 -0.96899 2.08968 -2.09754 26 4PX -0.00547 -0.00418 -0.00310 0.00588 0.00334 27 4PY -0.00186 -0.00025 -0.01630 0.01089 -0.00292 28 4PZ 0.00211 -0.00005 -0.00149 -0.01916 0.01005 29 5PX 0.00813 -0.01893 0.24487 -0.48220 0.11229 30 5PY 0.16600 -0.04187 0.56421 -0.18791 0.12237 31 5PZ -0.16107 0.06629 0.19171 0.56611 -0.35742 32 6PX -0.00611 0.24748 0.34620 -0.67179 0.01508 33 6PY -0.10203 -0.01134 0.40307 0.37680 -0.00178 34 6PZ 0.11605 0.03147 0.55685 0.11253 -0.42887 35 7D 0 -0.00431 -0.08587 -0.11914 -0.03171 0.08319 36 7D+1 0.02984 -0.10686 -0.04143 -0.06179 -0.08873 37 7D-1 0.02857 -0.09681 0.08265 -0.14530 0.07655 38 7D+2 0.00757 0.13859 -0.05114 -0.08173 0.07720 39 7D-2 -0.03015 0.09730 -0.06815 0.00639 0.05600 40 8D 0 -0.00457 0.11684 0.18433 0.04834 -0.12626 41 8D+1 -0.03617 0.15668 0.05114 0.06592 0.10509 42 8D-1 -0.02417 0.15349 -0.11206 0.19616 -0.11694 43 8D+2 0.00885 -0.18596 0.07618 0.12520 -0.11144 44 8D-2 0.03597 -0.14534 0.07480 -0.00462 -0.10621 45 3 Cu 1S -0.03242 0.13050 0.00354 0.00158 0.00136 46 2S -0.06684 0.27930 0.00437 0.00181 0.00145 47 3S 0.43864 -1.54064 -0.07978 -0.03671 -0.03303 48 4PX 0.00168 0.00070 0.00024 -0.00048 0.00357 49 4PY -0.00338 -0.00140 0.00009 0.00004 0.00366 50 4PZ 0.00318 0.00134 0.00047 0.00054 0.00223 51 5PX -0.00307 -0.09434 -0.00198 -0.01598 -0.04227 52 5PY 0.00643 0.18880 0.02880 0.00963 -0.03265 53 5PZ -0.00643 -0.17699 -0.00925 -0.00022 -0.03110 54 6PX 0.01518 -0.18227 -0.00680 -0.01178 0.17146 55 6PY -0.03174 0.36006 0.00283 0.00808 0.18436 56 6PZ 0.03910 -0.34585 -0.00034 0.01215 0.10460 57 7D 0 0.00163 0.01376 0.00659 -0.04103 -0.07869 58 7D+1 0.00518 0.04936 0.08779 -0.00194 -0.04895 59 7D-1 -0.01047 -0.09302 0.03737 -0.05758 -0.00079 60 7D+2 -0.00411 -0.03747 -0.02014 0.04900 -0.16899 61 7D-2 -0.00557 -0.04732 0.05172 0.06876 0.06686 62 8D 0 -0.00065 -0.02113 -0.00834 0.06206 0.10125 63 8D+1 -0.00227 -0.07421 -0.13138 0.00169 0.06702 64 8D-1 0.00470 0.14035 -0.05363 0.08677 0.00338 65 8D+2 0.00181 0.05646 0.03405 -0.07404 0.21424 66 8D-2 0.00252 0.07150 -0.07718 -0.10122 -0.08360 67 4 Cu 1S 0.02000 -0.03488 0.01296 0.02523 0.04450 68 2S 0.01606 -0.05043 -0.01145 -0.00917 0.07740 69 3S -0.66648 2.05696 -1.21357 -2.02466 -1.04735 70 4PX 0.00313 0.00174 -0.00254 0.01754 0.00704 71 4PY -0.00353 -0.00184 -0.01759 -0.01338 0.00033 72 4PZ -0.00399 -0.00379 -0.00028 0.00326 0.00410 73 5PX -0.11402 0.03197 0.17067 -0.65658 -0.27097 74 5PY 0.18848 -0.03625 0.60770 0.33939 0.03380 75 5PZ -0.07405 0.02010 0.22070 0.19824 -0.04047 76 6PX 0.08684 -0.06129 0.47329 -0.45496 -0.39052 77 6PY -0.13685 0.04880 0.35977 -0.22520 -0.08631 78 6PZ 0.06712 0.25395 0.50171 0.58366 -0.10414 79 7D 0 0.02847 0.05665 -0.00400 0.06143 -0.02024 80 7D+1 0.00873 -0.12690 -0.10553 0.04671 -0.00218 81 7D-1 -0.01509 0.12057 -0.02572 0.07310 0.04599 82 7D+2 0.01272 -0.03535 -0.03975 0.10846 0.13651 83 7D-2 0.03802 -0.14565 0.13217 0.09725 -0.03985 84 8D 0 -0.01904 -0.06722 0.00507 -0.08095 0.02161 85 8D+1 -0.02094 0.17630 0.14685 -0.05110 -0.03009 86 8D-1 0.02891 -0.16766 0.01964 -0.10859 -0.09120 87 8D+2 -0.01037 0.05803 0.07824 -0.16271 -0.18754 88 8D-2 -0.03939 0.22253 -0.18346 -0.11935 0.05661 89 5 Cu 1S -0.06500 0.01162 0.00003 0.00003 -0.00028 90 2S -0.21025 0.01109 0.00356 0.00171 -0.00004 91 3S 2.91910 3.48398 -0.08840 -0.05101 0.01577 92 4PX 0.01730 0.00472 -0.00141 0.00241 0.01658 93 4PY -0.03446 -0.00929 -0.00298 -0.00020 0.01711 94 4PZ 0.03223 0.00886 -0.00118 -0.00115 0.01037 95 5PX -0.00686 -0.01374 0.18877 -0.37099 -0.35173 96 5PY 0.01115 0.03735 0.35825 0.05481 -0.36157 97 5PZ -0.01750 -0.01550 0.20512 0.22553 -0.22263 98 6PX 0.14211 -0.09186 -0.28447 0.57453 -0.48610 99 6PY -0.30563 0.17282 -0.53085 -0.09392 -0.51922 100 6PZ 0.22854 -0.17280 -0.32491 -0.36597 -0.29287 101 7D 0 -0.02202 0.01042 0.13383 0.13067 0.02220 102 7D+1 -0.07204 0.01366 0.12124 -0.07214 0.20852 103 7D-1 0.14261 -0.02021 0.01917 -0.08591 0.10686 104 7D+2 0.05691 -0.00301 0.14053 -0.03914 -0.12367 105 7D-2 0.07588 -0.00647 -0.00915 0.14985 0.09095 106 8D 0 0.03394 -0.01857 -0.19786 -0.19182 -0.03940 107 8D+1 0.11158 -0.03111 -0.18178 0.10604 -0.34244 108 8D-1 -0.22130 0.05167 -0.02826 0.12937 -0.17519 109 8D+2 -0.08849 0.01320 -0.20669 0.05622 0.19535 110 8D-2 -0.11802 0.02122 0.01241 -0.22399 -0.14642 111 6 Cu 1S -0.02391 0.18041 -0.03443 -0.04749 0.04222 112 2S -0.02957 0.36006 -0.05313 -0.07178 0.06883 113 3S -0.22244 -2.77880 0.52070 0.65415 -1.05870 114 4PX -0.00099 -0.00243 -0.00121 0.00526 0.00158 115 4PY 0.00306 0.00306 -0.00595 -0.00454 0.00183 116 4PZ -0.00607 0.00166 0.00205 0.00471 0.00164 117 5PX -0.04382 0.30480 0.12882 -0.32626 0.27124 118 5PY 0.08231 -0.36721 0.32395 0.12225 -0.06010 119 5PZ -0.06315 -0.29810 0.10456 0.04921 -0.13349 120 6PX -0.09405 0.32819 -0.09569 0.01866 0.42039 121 6PY 0.24129 -0.40570 0.04405 0.14428 0.14418 122 6PZ -0.36213 -0.34809 -0.21022 -0.30023 0.01135 123 7D 0 0.04413 0.02746 -0.04033 -0.04344 -0.08515 124 7D+1 -0.00403 -0.02937 -0.08831 -0.05891 -0.12559 125 7D-1 -0.01142 0.03422 0.08486 0.14984 -0.12073 126 7D+2 0.00257 0.01228 -0.07139 0.06720 0.09784 127 7D-2 0.00839 0.01666 0.02027 -0.04814 0.01964 128 8D 0 -0.06335 -0.01820 0.05837 0.06155 0.12420 129 8D+1 -0.00182 0.05346 0.12243 0.07770 0.20791 130 8D-1 0.02629 -0.06817 -0.10971 -0.21497 0.17499 131 8D+2 -0.00454 -0.01039 0.05783 -0.07573 -0.14137 132 8D-2 -0.01890 0.00408 -0.02422 0.04257 -0.02083 133 7 Cu 1S 0.01986 -0.03754 -0.02122 -0.00125 -0.13305 134 2S 0.01586 -0.05049 0.02682 -0.00521 -0.23254 135 3S -0.67048 2.25209 2.20954 -0.05153 3.10518 136 4PX 0.00327 0.00111 -0.01322 0.01161 -0.00379 137 4PY 0.00390 0.00389 0.00283 -0.00216 0.00933 138 4PZ 0.00368 0.00039 -0.02016 -0.00702 -0.00962 139 5PX -0.11638 0.05316 0.43555 -0.49580 0.26037 140 5PY 0.08296 -0.00405 0.26872 0.07799 -0.01872 141 5PZ -0.18267 0.09086 0.58703 0.31672 0.43515 142 6PX 0.07175 -0.06708 0.11979 -0.59704 0.16125 143 6PY -0.04667 -0.21731 0.78662 0.07208 -0.12444 144 6PZ 0.12001 -0.02328 0.02096 0.42632 0.38198 145 7D 0 -0.02461 0.00592 0.07954 -0.09098 -0.02589 146 7D+1 -0.03942 0.16610 0.15297 0.04039 0.04367 147 7D-1 -0.01106 0.11215 -0.04891 0.06589 -0.15784 148 7D+2 -0.01965 -0.05029 0.02503 0.01405 -0.07259 149 7D-2 -0.00617 0.12119 -0.03232 -0.11553 -0.08599 150 8D 0 0.01912 -0.01914 -0.10572 0.14811 0.03677 151 8D+1 0.04201 -0.25015 -0.19908 -0.06432 -0.07277 152 8D-1 0.02524 -0.15288 0.08105 -0.08208 0.22702 153 8D+2 0.01399 0.06362 -0.03361 -0.03585 0.11576 154 8D-2 0.01913 -0.16716 0.05451 0.15262 0.12933 155 8 Cu 1S -0.02336 0.18098 -0.03158 0.05099 0.08399 156 2S -0.02897 0.36064 -0.04904 0.07679 0.13663 157 3S -0.21619 -2.78190 0.49828 -0.70094 -2.12138 158 4PX -0.00459 0.00286 0.00072 -0.00205 0.00309 159 4PY 0.00370 0.00232 -0.00584 0.00463 0.00155 160 4PZ -0.00346 -0.00239 -0.00012 -0.00704 0.00129 161 5PX -0.02631 -0.45268 0.12455 -0.18272 -0.43879 162 5PY 0.07950 -0.23173 0.32150 -0.06622 -0.09067 163 5PZ -0.07467 0.25138 0.12728 0.29875 0.28523 164 6PX -0.24898 -0.50228 -0.13268 0.27278 -0.17494 165 6PY 0.26247 -0.25731 0.04579 -0.19102 0.11489 166 6PZ -0.23846 0.25600 -0.15917 0.13137 0.36882 167 7D 0 -0.01584 -0.02430 -0.10149 -0.01711 0.05922 168 7D+1 0.02285 -0.00663 -0.06435 0.10882 -0.11940 169 7D-1 0.00059 0.02834 0.02578 -0.05025 0.05626 170 7D+2 0.02680 0.03811 -0.02198 -0.08339 -0.07590 171 7D-2 -0.02452 0.00247 0.06311 -0.12403 -0.11525 172 8D 0 0.01909 0.03283 0.10673 0.01075 -0.06853 173 8D+1 -0.04084 0.03698 0.10142 -0.13940 0.20094 174 8D-1 -0.00289 -0.02331 -0.04372 0.08734 -0.07169 175 8D+2 -0.03169 -0.05462 0.01473 0.10193 0.09092 176 8D-2 0.04359 -0.03068 -0.06946 0.17764 0.16068 177 9 C 1S 0.03242 0.01985 -0.00278 -0.00121 -0.00033 178 2S -0.18634 0.31617 -0.02055 -0.01172 0.00078 179 3S -2.13859 -0.62654 0.02531 0.01346 -0.00161 180 4PX -0.36382 -0.16623 0.01047 -0.00941 0.00127 181 4PY 0.73489 0.33709 0.00017 -0.00300 0.00498 182 4PZ -0.66928 -0.30318 0.01533 0.01201 -0.00049 183 5PX 0.17698 0.12227 -0.13029 0.21089 0.06620 184 5PY -0.35417 -0.25667 -0.15934 -0.01414 0.07180 185 5PZ 0.32936 0.21167 -0.16295 -0.15736 0.04065 186 10 O 1S -0.09070 -0.00703 -0.00080 -0.00041 -0.00022 187 2S 0.25250 0.05222 -0.00187 -0.00074 0.00040 188 3S 0.84300 0.06433 0.01574 0.00712 0.00283 189 4PX -0.02552 -0.16552 -0.20540 0.41093 -0.00622 190 4PY 0.05381 0.32029 -0.37551 -0.06339 -0.00684 191 4PZ -0.04415 -0.31842 -0.23667 -0.26258 -0.00126 192 5PX -0.49985 0.10866 0.31362 -0.62393 -0.00815 193 5PY 1.00546 -0.19840 0.56706 0.09496 -0.00441 194 5PZ -0.92375 0.22136 0.36221 0.39993 -0.01042 146 147 148 149 150 V V V V V EIGENVALUES -- 0.67487 0.67907 0.69858 0.70905 0.70984 1 1 Cu 1S 0.02842 -0.09178 0.00955 0.01192 -0.06903 2 2S 0.04699 -0.18294 -0.03213 0.02425 -0.14510 3 3S -0.66993 0.95171 -1.11410 -0.42865 2.43507 4 4PX 0.00175 0.00137 -0.00424 0.00089 0.00022 5 4PY -0.00116 -0.00365 -0.00624 -0.00051 0.00156 6 4PZ -0.00197 0.00258 -0.00438 -0.00072 -0.00042 7 5PX 0.22349 -0.15593 0.27320 0.35386 -0.24087 8 5PY 0.06563 -0.04930 0.07206 -0.06460 0.04765 9 5PZ 0.00872 -0.20054 0.38035 -0.13549 -0.46055 10 6PX 0.40120 -0.05157 -0.11892 0.03216 -0.49508 11 6PY -0.02716 -0.26444 0.46488 0.07408 -0.32364 12 6PZ -0.19941 -0.03471 -0.27966 0.13092 -0.59191 13 7D 0 -0.06523 -0.03906 -0.06960 -0.12111 -0.04464 14 7D+1 -0.00791 -0.05514 -0.13457 0.08122 -0.18964 15 7D-1 -0.12642 0.00300 0.03187 -0.00125 -0.06265 16 7D+2 0.11563 -0.01566 -0.02645 0.05711 0.07403 17 7D-2 0.12727 0.00698 0.01505 -0.00380 -0.09665 18 8D 0 0.09162 0.05594 0.08140 0.19648 0.09609 19 8D+1 0.00729 0.09765 0.18623 -0.13521 0.31854 20 8D-1 0.18790 0.00891 -0.06391 0.00554 0.10594 21 8D+2 -0.17039 0.01780 0.00749 -0.10334 -0.08947 22 8D-2 -0.20663 0.00340 -0.02449 0.00317 0.14865 23 2 Cu 1S 0.10409 0.02277 0.01161 0.16904 0.14306 24 2S 0.18353 0.01711 0.06058 0.20554 0.17291 25 3S -2.35891 -1.91155 0.88404 -6.60199 -5.60091 26 4PX 0.00368 -0.00079 -0.00476 -0.02395 -0.01984 27 4PY -0.01054 0.00010 0.01491 -0.01787 -0.00377 28 4PZ 0.00262 -0.00186 -0.01415 0.00645 0.01764 29 5PX 0.13476 0.14936 0.29049 1.31979 1.11824 30 5PY 0.37616 -0.11411 -0.61336 0.50851 0.64970 31 5PZ -0.13714 0.14668 0.58492 -0.73601 -0.40079 32 6PX 0.02531 0.05935 0.29400 0.87420 0.73477 33 6PY 0.45003 -0.02616 -0.59067 0.52235 0.42066 34 6PZ -0.02857 0.06355 0.57048 -0.51223 -0.44954 35 7D 0 -0.09468 -0.01384 -0.08398 0.00694 -0.02162 36 7D+1 -0.07662 0.11132 0.05461 -0.11921 0.17913 37 7D-1 0.08654 0.02350 -0.08374 -0.00881 -0.01172 38 7D+2 -0.01558 -0.00078 0.13461 0.01303 0.00678 39 7D-2 0.10475 -0.12594 -0.06530 -0.15160 0.13968 40 8D 0 0.13780 0.02050 0.13415 0.00635 0.04331 41 8D+1 0.13376 -0.17943 -0.09335 0.22660 -0.27845 42 8D-1 -0.13453 -0.04522 0.12112 -0.00377 0.00521 43 8D+2 0.02914 0.00137 -0.21606 -0.04675 -0.03729 44 8D-2 -0.13368 0.20110 0.10915 0.22687 -0.25720 45 3 Cu 1S 0.00493 -0.16839 -0.12344 -0.00124 -0.00378 46 2S 0.00900 -0.28919 -0.16511 -0.00079 -0.00620 47 3S -0.07385 2.81172 3.05996 0.03759 0.07754 48 4PX 0.00385 -0.00351 -0.00347 -0.00042 -0.00035 49 4PY -0.00166 0.00723 0.00697 0.00024 -0.00008 50 4PZ -0.00341 -0.00680 -0.00646 0.00017 -0.00031 51 5PX -0.04269 0.26135 0.31472 0.38410 0.33805 52 5PY 0.02785 -0.53084 -0.65018 -0.15088 0.35147 53 5PZ 0.02387 0.49758 0.61834 -0.34186 0.22578 54 6PX 0.18555 0.19688 0.00066 -0.00052 0.01069 55 6PY -0.06316 -0.38661 0.00282 0.00395 -0.00059 56 6PZ -0.19495 0.34517 0.00630 -0.00295 0.01038 57 7D 0 0.17903 0.01417 0.02454 0.04658 -0.05689 58 7D+1 -0.06157 0.03175 0.08809 -0.00572 -0.12447 59 7D-1 -0.02215 -0.05642 -0.16979 -0.07621 -0.05321 60 7D+2 -0.03918 -0.02354 -0.06977 0.02591 -0.04066 61 7D-2 0.06699 -0.02311 -0.09285 0.11886 -0.00816 62 8D 0 -0.22750 -0.01272 -0.02845 -0.10797 0.10685 63 8D+1 0.07712 -0.02581 -0.10821 0.02127 0.20985 64 8D-1 0.03318 0.03967 0.20581 0.12507 0.08536 65 8D+2 0.04792 0.01677 0.08465 -0.03408 0.09591 66 8D-2 -0.09086 0.01112 0.11409 -0.20357 0.00097 67 4 Cu 1S -0.13125 0.01678 0.02171 -0.20657 0.07755 68 2S -0.22918 0.00470 0.07394 -0.24882 0.09409 69 3S 3.08839 -1.82854 0.52199 8.13080 -3.03161 70 4PX -0.00194 -0.00071 -0.00774 -0.01578 0.01697 71 4PY 0.01014 0.00051 0.01434 0.02665 -0.00215 72 4PZ -0.00828 -0.00166 -0.01225 0.01960 -0.00554 73 5PX 0.20121 0.05084 0.26902 1.09296 -0.19118 74 5PY -0.45025 -0.11539 -0.56841 -1.19942 0.57504 75 5PZ -0.00906 0.21541 0.61120 -1.09118 0.45347 76 6PX 0.09170 0.01862 0.27433 0.76450 -0.29850 77 6PY -0.43408 -0.03994 -0.56257 -0.98356 0.34010 78 6PZ 0.10942 0.08915 0.60330 -0.65661 0.24963 79 7D 0 0.06375 0.10187 0.17975 -0.00232 0.07488 80 7D+1 0.08481 0.05083 -0.04990 0.06433 0.19517 81 7D-1 -0.15008 -0.11189 -0.03341 0.07673 0.13949 82 7D+2 0.00334 0.01571 -0.02134 -0.04010 -0.11954 83 7D-2 -0.05268 0.08329 -0.05822 0.00391 0.00984 84 8D 0 -0.10213 -0.16163 -0.29141 0.00584 -0.12711 85 8D+1 -0.13237 -0.08196 0.07941 -0.14415 -0.31719 86 8D-1 0.21237 0.17492 0.05171 -0.07628 -0.25416 87 8D+2 0.00306 -0.02724 0.02862 0.07416 0.19206 88 8D-2 0.08644 -0.13822 0.07987 -0.00876 -0.01290 89 5 Cu 1S -0.00006 0.00978 -0.02856 0.00027 -0.00134 90 2S 0.00114 -0.02678 -0.02910 0.00061 -0.00144 91 3S 0.00547 -0.11274 -1.68191 -0.07356 0.04746 92 4PX 0.01823 -0.00980 -0.01472 -0.00988 -0.00847 93 4PY -0.00750 0.02082 0.03019 0.00425 -0.00863 94 4PZ -0.01662 -0.01963 -0.02817 0.00805 -0.00551 95 5PX -0.39374 0.27046 0.21013 0.39732 0.33735 96 5PY 0.16512 -0.55827 -0.45158 -0.15629 0.37196 97 5PZ 0.35277 0.54487 0.42540 -0.34839 0.21049 98 6PX -0.48773 -0.46414 0.40297 0.33913 0.27276 99 6PY 0.17068 0.88430 -0.85804 -0.14380 0.30906 100 6PZ 0.50264 -0.81052 0.75941 -0.28139 0.16785 101 7D 0 0.11735 -0.01555 0.00092 -0.09152 0.04861 102 7D+1 -0.06057 -0.07698 0.00015 0.03101 0.04870 103 7D-1 0.12090 0.16330 0.00264 0.02112 0.01541 104 7D+2 -0.11014 0.06335 -0.00049 0.01557 0.08572 105 7D-2 -0.18128 0.08426 0.00423 -0.05134 -0.02563 106 8D 0 -0.18439 0.02660 -0.00431 0.14351 -0.08880 107 8D+1 0.09627 0.12538 -0.00861 -0.04598 -0.11835 108 8D-1 -0.19873 -0.26422 0.01351 -0.05701 -0.04390 109 8D+2 0.17866 -0.10167 0.00709 -0.00951 -0.13132 110 8D-2 0.29983 -0.13550 0.00163 0.11985 0.02982 111 6 Cu 1S -0.12143 -0.09869 0.01141 -0.06206 0.02276 112 2S -0.19541 -0.19285 -0.02914 -0.13217 0.04693 113 3S 3.10116 1.12959 -1.20107 2.26487 -0.87591 114 4PX 0.00242 0.00141 -0.00397 0.00031 0.00079 115 4PY -0.00086 -0.00309 0.00414 0.00066 0.00060 116 4PZ -0.00401 0.00352 0.00673 -0.00143 0.00098 117 5PX -0.34180 -0.16887 0.27422 -0.15314 0.40075 118 5PY 0.49177 0.24775 -0.38909 0.46881 0.04372 119 5PZ 0.46524 0.07801 -0.10399 -0.01229 0.05447 120 6PX -0.08464 -0.06082 -0.11240 -0.45687 0.11866 121 6PY 0.35643 0.03328 0.30312 0.55669 -0.23392 122 6PZ 0.15647 0.25889 -0.46891 0.33609 -0.14009 123 7D 0 0.08795 0.02726 0.05607 -0.04950 0.01864 124 7D+1 -0.11424 -0.01374 -0.01083 0.09741 -0.02366 125 7D-1 -0.01206 0.01560 0.02522 -0.07015 0.00661 126 7D+2 0.00904 0.02273 0.05658 0.10745 0.11160 127 7D-2 -0.08694 0.05481 0.13209 0.16231 -0.11807 128 8D 0 -0.11631 -0.03428 -0.04630 0.04461 -0.01490 129 8D+1 0.14247 0.00537 0.02072 -0.15045 0.04114 130 8D-1 0.05165 -0.00740 -0.05767 0.12060 -0.00898 131 8D+2 -0.01887 -0.03883 -0.08125 -0.17994 -0.18582 132 8D-2 0.09513 -0.09821 -0.18264 -0.27184 0.19715 133 7 Cu 1S 0.02485 0.02164 0.01560 0.03765 -0.21831 134 2S 0.04462 0.01631 0.06501 0.04650 -0.26349 135 3S -0.52135 -1.86085 0.69389 -1.45177 8.55371 136 4PX 0.00727 -0.00014 -0.00821 0.01369 -0.02021 137 4PY -0.00293 0.00165 0.01314 0.00173 -0.01858 138 4PZ -0.00307 -0.00192 -0.01421 -0.00318 -0.02725 139 5PX -0.25255 0.03291 0.28514 -0.00241 1.17905 140 5PY 0.04481 -0.20908 -0.62556 -0.23348 1.07042 141 5PZ 0.06491 0.13216 0.56268 -0.35043 1.30672 142 6PX -0.38888 -0.00447 0.27526 -0.15483 0.84755 143 6PY 0.08914 -0.07865 -0.60039 -0.11695 0.62994 144 6PZ 0.18522 0.05188 0.54043 -0.15879 1.03396 145 7D 0 -0.11405 -0.06713 -0.07569 0.08414 0.02821 146 7D+1 0.04685 -0.07209 0.06345 -0.00657 0.00102 147 7D-1 0.03640 -0.09502 -0.02853 0.15773 0.04336 148 7D+2 0.07597 -0.08599 -0.16390 -0.13249 0.00450 149 7D-2 -0.02109 -0.05378 0.05440 -0.19038 -0.03093 150 8D 0 0.15903 0.10914 0.12697 -0.13450 -0.05145 151 8D+1 -0.06876 0.12411 -0.08797 0.00814 0.00349 152 8D-1 -0.07896 0.14853 0.04393 -0.27443 -0.01892 153 8D+2 -0.09638 0.13601 0.26258 0.21789 -0.00067 154 8D-2 0.06296 0.08553 -0.08747 0.31492 0.09040 155 8 Cu 1S 0.10408 -0.09102 0.00908 0.05168 0.04268 156 2S 0.16951 -0.18153 -0.03402 0.10811 0.08885 157 3S -2.57533 0.93330 -1.09766 -1.87795 -1.60278 158 4PX 0.00370 0.00242 0.00830 0.00122 0.00131 159 4PY -0.00085 -0.00325 0.00208 -0.00103 0.00020 160 4PZ -0.00180 0.00281 -0.00223 -0.00013 0.00108 161 5PX -0.53286 0.13807 -0.25810 -0.12132 -0.10245 162 5PY -0.31372 0.16501 -0.27416 -0.44636 -0.02706 163 5PZ 0.16132 -0.14685 0.27979 0.09635 0.43895 164 6PX -0.22575 0.25902 -0.30319 -0.47581 -0.39972 165 6PY -0.35851 -0.04547 0.35451 -0.27843 -0.28871 166 6PZ -0.05899 0.02171 -0.32207 0.33417 0.23159 167 7D 0 0.03968 -0.01518 -0.01577 -0.13537 0.04984 168 7D+1 0.11373 0.02348 0.04468 -0.04270 -0.08496 169 7D-1 0.05648 0.06072 0.14258 -0.11712 -0.10329 170 7D+2 -0.09447 0.01375 0.03773 0.04317 0.12816 171 7D-2 0.09776 -0.01929 -0.04834 0.08384 0.01983 172 8D 0 -0.04774 0.01154 0.01346 0.20908 -0.09376 173 8D+1 -0.15213 -0.04523 -0.03933 0.08052 0.15537 174 8D-1 -0.06807 -0.09865 -0.21079 0.19418 0.17124 175 8D+2 0.10825 -0.00635 -0.04102 -0.04801 -0.19221 176 8D-2 -0.17095 0.03998 0.04351 -0.15657 -0.04141 177 9 C 1S -0.00189 0.06405 -0.00914 -0.00012 0.00043 178 2S 0.00010 0.01832 -0.31781 -0.01044 0.00000 179 3S -0.00023 0.08545 0.06567 0.00249 0.00451 180 4PX 0.00586 -0.03086 0.14031 0.05898 0.05244 181 4PY -0.00454 0.06227 -0.28580 -0.02485 0.04997 182 4PZ -0.00204 -0.05689 0.26284 -0.04911 0.03625 183 5PX 0.06564 0.20408 -0.18883 -0.20607 -0.17964 184 5PY -0.01398 -0.41260 0.39398 0.08118 -0.19009 185 5PZ -0.07945 0.36406 -0.36600 0.17797 -0.11397 186 10 O 1S -0.00020 0.01125 -0.00559 -0.00028 0.00016 187 2S -0.00198 0.05202 -0.00542 -0.00013 0.00078 188 3S 0.01000 -0.36811 0.10897 0.00508 -0.00491 189 4PX 0.01008 -0.22563 0.14935 -0.00547 -0.01181 190 4PY -0.01274 0.43593 -0.30057 -0.00469 -0.00875 191 4PZ 0.01000 -0.42860 0.27439 0.01239 -0.00583 192 5PX -0.03176 0.33991 -0.15678 0.03579 0.04456 193 5PY 0.02422 -0.65779 0.31314 -0.00288 0.03454 194 5PZ 0.00296 0.64744 -0.28504 -0.04363 0.02820 151 152 153 154 155 V V V V V EIGENVALUES -- 0.74974 0.75092 0.79127 0.79656 0.79673 1 1 Cu 1S 0.05166 0.01734 0.00027 0.04240 -0.01273 2 2S 0.13132 0.04412 0.00066 0.10302 -0.03079 3 3S -0.63279 -0.21708 -0.00176 -0.25353 0.08596 4 4PX -0.00693 0.00045 -0.00634 -0.00198 -0.00278 5 4PY 0.01317 0.00398 0.00115 0.00249 -0.00013 6 4PZ -0.01078 -0.00583 0.00458 -0.00132 0.00290 7 5PX 0.02218 0.08235 0.01179 -0.00003 0.01617 8 5PY 0.12396 0.03114 -0.00203 0.07961 -0.02872 9 5PZ 0.04804 -0.03686 -0.00879 -0.03275 -0.00432 10 6PX 0.04050 0.12861 -0.02226 -0.03338 -0.06479 11 6PY 0.03628 -0.00448 0.00370 -0.06815 0.02965 12 6PZ 0.12435 -0.04288 0.01650 0.01501 0.04769 13 7D 0 0.09050 0.08118 -0.14225 -0.11874 -0.03703 14 7D+1 0.12990 0.01777 0.03257 -0.12198 0.05821 15 7D-1 0.05400 -0.01722 -0.14552 0.17193 -0.08699 16 7D+2 0.11634 0.03492 0.14379 -0.00620 0.05468 17 7D-2 -0.01291 0.05727 0.15535 0.13316 -0.01041 18 8D 0 -0.12640 -0.10588 0.21335 0.19182 0.05299 19 8D+1 -0.19580 -0.02964 -0.04497 0.20783 -0.09476 20 8D-1 -0.09113 0.03634 0.23989 -0.28691 0.14147 21 8D+2 -0.14966 -0.05734 -0.22638 0.00449 -0.08241 22 8D-2 0.01196 -0.10378 -0.26227 -0.21774 0.01824 23 2 Cu 1S -0.01569 0.01506 -0.00072 0.00601 0.00504 24 2S -0.03067 0.02865 -0.00212 -0.00778 -0.00847 25 3S 0.32002 -0.33335 -0.01622 -0.68892 -0.63496 26 4PX 0.00499 -0.00376 -0.00041 -0.00540 -0.00517 27 4PY 0.00628 0.01498 -0.00750 0.00290 -0.00506 28 4PZ 0.01415 0.00889 -0.00761 0.00527 -0.00274 29 5PX -0.08625 0.08513 -0.00293 0.05850 0.04615 30 5PY -0.00933 -0.07288 -0.09014 0.15020 0.21503 31 5PZ -0.06267 -0.02098 -0.11114 -0.20216 -0.13116 32 6PX 0.12089 -0.08426 0.02308 0.35898 0.32476 33 6PY -0.20602 0.11515 0.27636 -0.06820 -0.30013 34 6PZ 0.15091 -0.18382 0.30861 0.28051 0.01789 35 7D 0 0.10490 0.08645 -0.14106 -0.05016 -0.02186 36 7D+1 -0.03940 0.06346 -0.05639 0.04166 0.02777 37 7D-1 -0.02391 0.01061 0.00260 -0.10537 -0.10323 38 7D+2 0.02419 0.08384 -0.08134 0.05463 0.06579 39 7D-2 0.06659 -0.03748 -0.05408 -0.03673 -0.04477 40 8D 0 -0.14367 -0.12324 0.18955 0.06788 0.03333 41 8D+1 0.05485 -0.09325 0.09489 -0.06025 -0.03506 42 8D-1 0.04927 -0.02847 -0.00250 0.16859 0.16481 43 8D+2 -0.03761 -0.11520 0.11046 -0.07639 -0.08792 44 8D-2 -0.09673 0.05201 0.09122 0.04764 0.06372 45 3 Cu 1S -0.00111 -0.00164 0.00005 -0.00070 0.00100 46 2S -0.00142 -0.00212 0.00007 -0.00091 0.00128 47 3S 0.03108 0.04379 -0.00098 0.01996 -0.02996 48 4PX -0.00221 0.00168 0.00013 0.00329 0.00303 49 4PY -0.00172 -0.00089 -0.00001 0.00323 -0.00170 50 4PZ -0.00099 -0.00237 -0.00008 0.00148 -0.00318 51 5PX -0.04899 0.05004 0.00052 0.02608 0.01717 52 5PY -0.05206 -0.03624 -0.00011 0.01841 -0.00428 53 5PZ -0.01227 -0.04155 -0.00082 0.01546 -0.02866 54 6PX 0.17966 -0.14531 0.00147 0.03783 0.03319 55 6PY 0.15293 0.08641 -0.00009 0.03331 -0.01614 56 6PZ 0.07185 0.17728 -0.00075 0.01819 -0.03868 57 7D 0 -0.05784 -0.08152 -0.00438 0.08614 -0.13876 58 7D+1 -0.14086 -0.00794 0.00287 0.17350 0.01640 59 7D-1 -0.06926 0.07121 0.00351 0.07460 0.08495 60 7D+2 -0.05790 -0.03617 0.00167 0.11142 -0.02673 61 7D-2 0.02074 -0.14138 -0.00605 -0.03414 -0.16547 62 8D 0 0.08655 0.10609 0.00650 -0.13480 0.20673 63 8D+1 0.22043 0.02075 -0.00441 -0.28073 -0.02035 64 8D-1 0.11070 -0.11354 -0.00567 -0.12317 -0.13808 65 8D+2 0.06929 0.06069 -0.00235 -0.16284 0.04750 66 8D-2 -0.02349 0.22171 0.00953 0.04753 0.26754 67 4 Cu 1S -0.00330 -0.02229 0.00053 0.00177 -0.00622 68 2S -0.00703 -0.04311 0.00165 -0.00307 0.01366 69 3S 0.04678 0.44508 0.01659 -0.23009 0.88734 70 4PX 0.01831 -0.00191 0.00867 0.00713 -0.00196 71 4PY 0.01115 -0.00648 0.00599 0.00343 0.00429 72 4PZ 0.00465 0.00746 0.00170 -0.00046 0.00612 73 5PX -0.06702 0.02740 0.12168 -0.09608 0.16448 74 5PY -0.03983 0.01981 0.06968 0.03561 -0.29587 75 5PZ -0.02698 -0.11506 0.02327 -0.01666 0.04627 76 6PX -0.02183 0.12245 -0.34134 0.20131 0.04610 77 6PY -0.06896 -0.21970 -0.21977 0.09287 0.20483 78 6PZ 0.04854 0.24029 -0.07700 0.17318 -0.53606 79 7D 0 0.00305 -0.09126 0.02819 0.03290 -0.12961 80 7D+1 0.07052 -0.02298 0.11380 -0.00413 0.01098 81 7D-1 0.03265 0.03683 0.05722 -0.01380 0.06866 82 7D+2 0.11637 -0.03723 0.10845 -0.03350 0.04316 83 7D-2 -0.07113 -0.03884 -0.06053 -0.01728 0.11059 84 8D 0 -0.00662 0.12281 -0.04392 -0.04777 0.18091 85 8D+1 -0.10090 0.03532 -0.17210 0.00018 -0.01413 86 8D-1 -0.04738 -0.04778 -0.09192 0.01861 -0.10670 87 8D+2 -0.15958 0.06023 -0.13687 0.04818 -0.07320 88 8D-2 0.10307 0.07335 0.08023 0.03177 -0.17936 89 5 Cu 1S 0.00133 0.00156 -0.00001 0.00067 -0.00076 90 2S 0.00242 0.00287 0.00003 0.00133 -0.00144 91 3S -0.01256 -0.01096 0.00109 0.00633 -0.01253 92 4PX -0.01620 0.01326 -0.00031 -0.00415 -0.00430 93 4PY -0.01377 -0.00800 0.00001 -0.00374 0.00225 94 4PZ -0.00657 -0.01614 0.00023 -0.00196 0.00456 95 5PX 0.43441 -0.35174 0.02287 0.43398 0.41256 96 5PY 0.37795 0.21668 -0.00215 0.41003 -0.21675 97 5PZ 0.17418 0.42346 -0.01558 0.19794 -0.44492 98 6PX 0.10106 -0.11133 -0.00774 -0.14655 -0.13177 99 6PY 0.08860 0.06897 0.00084 -0.14202 0.07231 100 6PZ 0.03726 0.12509 0.00454 -0.06813 0.14282 101 7D 0 -0.02796 0.03758 0.00522 -0.01735 0.13469 102 7D+1 -0.11477 -0.04396 -0.00150 0.05262 -0.05967 103 7D-1 -0.07042 0.06523 0.00184 0.04291 0.03637 104 7D+2 0.05309 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0.08256 124 7D+1 0.05896 0.00275 0.16193 -0.01297 -0.13007 125 7D-1 0.01690 -0.06115 0.14836 -0.08583 0.15689 126 7D+2 0.05583 0.03482 -0.17633 0.06767 0.11469 127 7D-2 -0.00576 0.13085 0.04323 -0.06002 0.12182 128 8D 0 -0.06487 -0.19958 -0.09650 0.05956 -0.13002 129 8D+1 -0.10559 -0.01242 -0.27244 0.02052 0.21303 130 8D-1 -0.03753 0.09843 -0.24390 0.13926 -0.26208 131 8D+2 -0.06844 -0.05468 0.26817 -0.10046 -0.18831 132 8D-2 0.00521 -0.19770 -0.06147 0.09655 -0.20788 133 7 Cu 1S 0.01816 0.00627 0.00022 -0.00821 0.00191 134 2S 0.03633 0.01257 0.00036 0.01022 -0.00362 135 3S -0.37317 -0.13203 -0.00267 0.91841 -0.25179 136 4PX 0.00448 -0.01728 -0.00809 -0.00167 0.00776 137 4PY 0.00692 0.00570 0.00141 -0.00616 0.00039 138 4PZ -0.00808 0.01058 0.00583 -0.00490 -0.00376 139 5PX -0.02745 0.06389 -0.11997 0.17934 -0.10166 140 5PY -0.12044 -0.05794 0.02047 -0.06506 0.03418 141 5PZ 0.03920 -0.03302 0.08634 0.28905 -0.04856 142 6PX -0.11348 0.02592 0.34473 0.05231 0.17224 143 6PY 0.26156 0.07014 -0.05881 0.54153 -0.18257 144 6PZ -0.19059 -0.10860 -0.24962 -0.16610 -0.08566 145 7D 0 -0.09306 0.08982 0.10863 0.03408 0.00431 146 7D+1 -0.03523 -0.06925 -0.05606 -0.10532 0.02661 147 7D-1 -0.02557 -0.04517 -0.06160 0.06286 -0.01016 148 7D+2 -0.05560 -0.06469 -0.02384 0.13288 -0.04878 149 7D-2 -0.03361 0.07218 0.11542 -0.01966 -0.00084 150 8D 0 0.13380 -0.12337 -0.13960 -0.03918 -0.00700 151 8D+1 0.06831 0.10368 0.07537 0.17093 -0.04563 152 8D-1 0.03189 0.06439 0.09744 -0.09929 0.01325 153 8D+2 0.07203 0.08744 0.02144 -0.19028 0.07046 154 8D-2 0.05015 -0.10290 -0.17321 0.02659 0.00795 155 8 Cu 1S -0.04188 0.03563 -0.00246 -0.03181 -0.03155 156 2S -0.10692 0.09046 -0.00594 -0.07783 -0.07656 157 3S 0.50564 -0.45182 0.01744 0.17911 0.20544 158 4PX 0.00577 -0.00482 0.00001 0.00112 0.00103 159 4PY -0.01161 0.00676 -0.00544 -0.00379 0.00059 160 4PZ 0.00757 -0.00994 -0.00547 -0.00063 0.00418 161 5PX 0.10054 -0.09410 0.00266 0.04394 0.05118 162 5PY -0.03650 -0.04641 0.00944 -0.01823 -0.03970 163 5PZ -0.03807 -0.04360 0.01266 0.04341 0.01420 164 6PX 0.06424 -0.06855 -0.00186 -0.05501 -0.04306 165 6PY -0.00384 -0.11532 -0.01371 -0.03041 0.05650 166 6PZ -0.11983 -0.02979 -0.01856 -0.05639 0.03641 167 7D 0 0.01362 0.07672 0.08597 0.09798 0.00977 168 7D+1 0.11292 -0.05730 -0.19606 -0.01163 0.08212 169 7D-1 0.06377 -0.05945 -0.00599 -0.15414 -0.14615 170 7D+2 0.07760 -0.01967 0.03250 -0.09545 -0.13442 171 7D-2 -0.07933 0.10731 -0.19423 -0.06971 0.02148 172 8D 0 -0.02717 -0.10052 -0.12005 -0.15369 -0.02102 173 8D+1 -0.17743 0.06956 0.32002 0.01464 -0.13313 174 8D-1 -0.09663 0.09003 0.00908 0.25942 0.24656 175 8D+2 -0.09578 0.01571 -0.04161 0.15687 0.21480 176 8D-2 0.10287 -0.17061 0.31669 0.11343 -0.02990 177 9 C 1S 0.00011 0.00018 0.00000 -0.00023 0.00035 178 2S -0.00577 -0.00647 0.00018 -0.00178 0.00012 179 3S 0.00629 0.00767 0.00003 0.00134 0.00179 180 4PX 0.06779 -0.05830 0.00238 0.04215 0.04159 181 4PY 0.06207 0.03773 -0.00030 0.04108 -0.02317 182 4PZ 0.02539 0.06576 -0.00158 0.01881 -0.04299 183 5PX -0.63974 0.52470 -0.02632 -0.46481 -0.43708 184 5PY -0.55555 -0.32206 0.00292 -0.43042 0.22661 185 5PZ -0.25432 -0.62877 0.01742 -0.21732 0.48173 186 10 O 1S 0.00004 0.00006 0.00000 0.00008 -0.00010 187 2S -0.00112 -0.00128 0.00004 -0.00148 0.00183 188 3S 0.00032 0.00001 -0.00006 0.00184 -0.00257 189 4PX -0.42248 0.34029 -0.01490 -0.25497 -0.23996 190 4PY -0.36259 -0.20566 0.00166 -0.23688 0.12465 191 4PZ -0.16968 -0.41368 0.00983 -0.11901 0.26463 192 5PX 0.78627 -0.63816 0.02958 0.50897 0.48059 193 5PY 0.67971 0.38866 -0.00335 0.47495 -0.25099 194 5PZ 0.31345 0.76963 -0.01944 0.23653 -0.52703 156 157 158 159 160 V V V V V EIGENVALUES -- 0.83485 0.86012 0.86030 0.86443 0.86946 1 1 Cu 1S 0.08915 0.03031 0.02004 0.00016 -0.01980 2 2S 0.16652 0.00697 0.00380 -0.00014 -0.02691 3 3S -2.54352 -1.52063 -1.02048 -0.01167 0.51954 4 4PX -0.00893 -0.00488 -0.00865 -0.00253 0.00099 5 4PY -0.00890 -0.00908 -0.00530 0.00037 0.00312 6 4PZ -0.01017 -0.01008 -0.00282 0.00171 0.00279 7 5PX 0.23249 0.30080 0.29259 0.11695 0.01218 8 5PY 0.58619 0.21922 0.13394 -0.01865 -0.15186 9 5PZ 0.17451 0.45509 0.24004 -0.07868 -0.15600 10 6PX 0.22474 0.09273 -0.09878 -0.10330 -0.11010 11 6PY 0.50790 -0.02149 0.00780 0.01870 0.08707 12 6PZ 0.19280 -0.03111 0.09479 0.07417 0.04526 13 7D 0 0.01795 0.05605 -0.08003 -0.15804 -0.10461 14 7D+1 -0.00873 -0.10878 -0.01453 0.08639 0.03221 15 7D-1 0.13702 -0.00379 0.04492 0.12326 0.14753 16 7D+2 0.08529 0.04397 0.05964 0.01984 0.08372 17 7D-2 0.06846 0.02899 -0.08352 -0.21229 -0.16655 18 8D 0 -0.01781 -0.10647 0.14348 0.27683 0.19836 19 8D+1 0.02117 0.18422 0.01617 -0.15422 -0.05433 20 8D-1 -0.24622 -0.00481 -0.09203 -0.23189 -0.27411 21 8D+2 -0.13320 -0.08329 -0.11036 -0.02701 -0.14969 22 8D-2 -0.12945 -0.06494 0.14780 0.39318 0.31026 23 2 Cu 1S -0.00999 -0.00275 0.08812 0.00249 0.05531 24 2S -0.06974 -0.00595 0.13906 0.00353 0.06500 25 3S -0.20140 -0.01190 -1.28765 -0.05408 -1.49420 26 4PX -0.00625 0.00028 -0.00879 0.00029 0.00144 27 4PY -0.00393 -0.00803 0.00755 0.00970 -0.00671 28 4PZ 0.00363 -0.00654 -0.00837 0.01040 0.00731 29 5PX 0.36669 -0.00453 0.57776 0.00228 0.24932 30 5PY -0.05804 0.56700 -0.12313 -0.36013 -0.00015 31 5PZ 0.04149 0.54575 0.18947 -0.38395 -0.45229 32 6PX 0.31290 -0.00669 0.36516 0.01771 0.37101 33 6PY -0.17639 0.27744 0.22444 0.28039 -0.24788 34 6PZ 0.15034 0.28635 -0.15207 0.27509 -0.50560 35 7D 0 0.03495 0.01323 -0.01166 -0.10724 0.03314 36 7D+1 0.05248 -0.05477 -0.10691 -0.05102 -0.01045 37 7D-1 -0.06129 -0.00493 0.01477 0.00367 -0.09806 38 7D+2 -0.06507 0.00059 0.02025 -0.06416 0.06668 39 7D-2 -0.05724 -0.06305 0.10511 -0.04209 0.03079 40 8D 0 -0.04584 0.02646 0.03693 0.15735 -0.07507 41 8D+1 -0.09188 0.08224 0.17392 0.10528 0.02345 42 8D-1 0.14032 0.00797 -0.03843 -0.00554 0.17422 43 8D+2 0.09074 0.02869 -0.05676 0.09523 -0.12440 44 8D-2 0.10326 0.09452 -0.17175 0.09014 -0.04802 45 3 Cu 1S -0.01393 -0.00087 -0.00056 0.00002 -0.00137 46 2S 0.04285 -0.00152 -0.00092 0.00003 -0.00285 47 3S 2.16349 0.02522 0.01157 -0.00147 0.00905 48 4PX -0.00562 -0.00017 -0.00402 -0.00020 -0.00311 49 4PY 0.01123 -0.00282 -0.00135 0.00003 0.00170 50 4PZ -0.01037 -0.00318 0.00062 0.00015 0.00337 51 5PX 0.25474 0.00056 0.14270 0.00359 0.05099 52 5PY -0.51117 0.09855 0.04331 -0.00018 -0.02789 53 5PZ 0.47340 0.11414 -0.02490 -0.00257 -0.05401 54 6PX 0.05933 -0.00310 -0.20169 -0.00954 -0.15436 55 6PY -0.11990 -0.15231 -0.07097 0.00159 0.08307 56 6PZ 0.12303 -0.15169 0.03503 0.00633 0.17125 57 7D 0 0.00132 -0.17754 0.16974 0.00315 0.03855 58 7D+1 -0.00272 0.27527 0.10641 0.00066 -0.00288 59 7D-1 0.00685 -0.01379 0.23164 0.00107 -0.01745 60 7D+2 0.00307 -0.06341 -0.30965 -0.00267 0.00272 61 7D-2 0.00362 0.28340 -0.05168 0.00144 0.03992 62 8D 0 0.00234 0.30921 -0.30453 -0.00574 -0.07909 63 8D+1 0.01992 -0.50339 -0.20180 -0.00132 0.00774 64 8D-1 -0.04243 0.02593 -0.42598 -0.00199 0.03259 65 8D+2 -0.01771 0.10786 0.55406 0.00486 -0.00410 66 8D-2 -0.02257 -0.51890 0.10257 -0.00262 -0.07513 67 4 Cu 1S -0.01249 0.07848 -0.03658 -0.00187 -0.07914 68 2S -0.07173 0.12365 -0.05904 -0.00239 -0.09147 69 3S -0.08923 -1.14803 0.49113 0.04881 2.13455 70 4PX 0.00405 -0.00625 -0.00622 -0.01191 -0.00643 71 4PY -0.00517 0.00381 -0.00862 -0.00766 0.01129 72 4PZ -0.00385 -0.01151 0.00407 -0.00221 -0.00714 73 5PX -0.06266 0.22729 0.59998 0.44684 0.41088 74 5PY 0.00177 0.14956 0.42456 0.28604 -0.40227 75 5PZ 0.35084 0.59528 -0.15986 0.07038 -0.16099 76 6PX 0.02949 -0.04386 0.40097 -0.31310 0.42668 77 6PY -0.13903 0.36960 0.08643 -0.22564 -0.22810 78 6PZ 0.36735 0.25777 -0.05242 -0.05828 -0.40341 79 7D 0 -0.00904 -0.06667 0.01181 0.02691 -0.03817 80 7D+1 0.06490 -0.08246 -0.02261 0.09095 0.02499 81 7D-1 -0.10047 0.08305 -0.09081 0.04422 -0.00455 82 7D+2 -0.02311 0.01656 0.03112 0.08215 0.03760 83 7D-2 -0.01299 -0.03882 0.01116 -0.04645 0.14527 84 8D 0 -0.00974 0.08990 -0.00734 -0.04911 0.06486 85 8D+1 -0.10240 0.15334 0.04110 -0.16336 -0.04163 86 8D-1 0.18020 -0.14965 0.15359 -0.08725 0.00493 87 8D+2 0.05275 -0.00992 -0.00150 -0.10544 -0.06209 88 8D-2 0.05300 0.04565 -0.03407 0.06682 -0.25939 89 5 Cu 1S -0.07347 -0.00025 0.00026 -0.00001 0.00197 90 2S -0.05878 0.00088 0.00102 -0.00011 0.00292 91 3S 6.81058 0.01893 -0.00696 -0.00212 -0.09869 92 4PX 0.02584 -0.00084 0.00518 -0.00042 -0.01854 93 4PY -0.05111 0.00327 0.00104 0.00013 0.01089 94 4PZ 0.04882 0.00426 -0.00169 0.00030 0.02022 95 5PX -0.08891 0.01488 0.16785 0.02426 0.73499 96 5PY 0.16428 0.15470 0.08176 -0.00409 -0.41656 97 5PZ -0.20126 0.11735 -0.01962 -0.01447 -0.82129 98 6PX -0.10505 -0.02368 0.46554 0.00282 0.14512 99 6PY 0.18448 0.34012 0.13739 0.00226 -0.08251 100 6PZ -0.22747 0.36466 -0.10084 0.00112 -0.15286 101 7D 0 0.00032 0.03947 -0.05648 0.00345 0.13784 102 7D+1 -0.01120 -0.09972 -0.04894 -0.00208 -0.04631 103 7D-1 0.02095 0.00585 -0.08484 -0.00125 -0.00442 104 7D+2 0.01051 0.00368 0.08489 -0.00061 -0.02337 105 7D-2 0.01198 -0.09674 0.03175 0.00201 0.01851 106 8D 0 0.01721 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0.00743 0.54800 9 5PZ 0.23125 0.10654 -0.11969 -0.09282 -0.10562 10 6PX -0.03163 0.43761 0.09757 -0.25738 -0.00613 11 6PY -0.20209 -0.05340 -0.51642 -0.01655 0.15893 12 6PZ 0.09122 -0.33709 0.20592 -0.35066 -0.04255 13 7D 0 -0.10032 0.16566 -0.04812 -0.02424 -0.10395 14 7D+1 0.13732 -0.07052 -0.00827 -0.16711 -0.00973 15 7D-1 -0.12171 -0.02597 0.01210 0.02715 -0.08100 16 7D+2 -0.21658 -0.07104 -0.09057 0.07449 -0.19013 17 7D-2 -0.07142 0.07515 0.04379 -0.02831 0.00761 18 8D 0 0.17094 -0.28967 0.08365 0.05555 0.21029 19 8D+1 -0.27177 0.12393 0.01600 0.31145 0.01944 20 8D-1 0.22309 0.05100 -0.01849 -0.07555 0.15204 21 8D+2 0.38780 0.12208 0.15709 -0.13062 0.38062 22 8D-2 0.13449 -0.13893 -0.07438 0.03110 -0.02286 23 2 Cu 1S 0.05746 0.00253 0.00138 0.02268 0.05941 24 2S 0.06461 -0.00367 -0.00266 -0.02931 0.03312 25 3S -1.59348 -0.50030 -0.29814 -2.76579 -1.88987 26 4PX 0.00170 0.00087 0.00121 -0.02308 -0.01457 27 4PY -0.00859 -0.00002 -0.00512 -0.00636 -0.01294 28 4PZ 0.00781 0.00453 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0.00483 -0.00174 -0.02849 0.03218 69 3S -0.46319 0.45058 -0.19579 -2.78767 -1.86421 70 4PX 0.00130 -0.00307 -0.00379 0.01157 0.01322 71 4PY -0.00292 0.00074 -0.00385 -0.01270 -0.01788 72 4PZ 0.00169 -0.00255 0.00086 -0.01793 -0.00697 73 5PX 0.26194 -0.07125 -0.18074 -0.37908 -0.32088 74 5PY 0.33486 -0.00835 -0.14331 0.48397 0.48173 75 5PZ 0.08451 -0.32862 0.11826 0.28547 -0.03766 76 6PX 0.46170 0.50364 0.54770 0.01318 -0.09120 77 6PY 0.41235 -0.25985 0.66864 -0.10019 0.11302 78 6PZ 0.19205 0.79823 -0.25510 0.41624 0.11570 79 7D 0 -0.00100 0.19745 -0.06885 -0.06510 -0.00637 80 7D+1 -0.05230 -0.05143 0.09185 0.03855 -0.02528 81 7D-1 -0.02034 0.07066 0.05142 -0.06100 0.01575 82 7D+2 -0.06846 -0.06910 -0.19149 -0.06462 -0.03194 83 7D-2 0.00151 0.05300 0.05082 -0.11859 -0.08805 84 8D 0 0.00296 -0.31902 0.10493 0.10979 0.02819 85 8D+1 0.09206 0.07164 -0.16350 -0.08439 0.01705 86 8D-1 0.03234 -0.11907 -0.09438 0.14683 0.01175 87 8D+2 0.14490 0.10484 0.30850 0.13641 0.07071 88 8D-2 -0.01150 -0.09555 -0.07205 0.24943 0.17272 89 5 Cu 1S -0.00171 0.00071 -0.00164 0.07356 -0.06047 90 2S -0.00178 0.00295 -0.00671 0.24844 0.16001 91 3S 0.08825 -0.01875 0.01112 0.49143 6.08028 92 4PX -0.02109 0.00042 -0.00087 0.01729 0.00956 93 4PY -0.01952 -0.00047 -0.00003 -0.03447 -0.01852 94 4PZ -0.00883 -0.00072 -0.00062 0.03240 0.01801 95 5PX 0.82423 0.20296 0.20011 -0.94605 -0.40808 96 5PY 0.75791 -0.02149 0.18120 1.90317 0.80586 97 5PZ 0.34578 -0.16720 0.17922 -1.76165 -0.76601 98 6PX 0.18051 -0.46886 -0.32779 -0.00986 -0.21358 99 6PY 0.16453 0.11469 -0.43602 0.00584 0.40778 100 6PZ 0.06836 0.36848 -0.28243 -0.01910 -0.41963 101 7D 0 -0.03282 0.15338 -0.11432 0.01472 -0.01136 102 7D+1 -0.00822 -0.06343 -0.09936 0.05973 -0.03527 103 7D-1 0.01324 -0.05873 -0.02208 -0.12229 0.06980 104 7D+2 -0.12881 -0.03796 -0.15683 -0.05252 0.02798 105 7D-2 0.05729 0.12185 0.03685 -0.06550 0.03702 106 8D 0 0.04624 -0.27664 0.21065 -0.03581 0.03163 107 8D+1 0.00569 0.11427 0.19476 -0.13687 0.10010 108 8D-1 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-0.00290 -0.01416 -0.01903 71 4PY -0.00350 -0.00477 -0.00589 0.01327 -0.01555 72 4PZ 0.00753 0.00916 0.00327 0.00953 -0.00467 73 5PX -0.43531 -0.11183 0.12845 0.16265 0.07364 74 5PY 0.68353 0.08210 0.15687 -0.16485 0.08985 75 5PZ -0.11906 -0.26732 -0.09174 -0.20366 0.03466 76 6PX -0.09047 -0.04461 0.06674 0.12332 -0.05715 77 6PY 0.04764 -0.01013 0.05450 -0.15055 -0.00866 78 6PZ 0.37854 0.02349 0.02530 -0.18164 0.01582 79 7D 0 -0.00117 0.05309 0.04280 0.01822 0.06127 80 7D+1 0.07549 -0.03250 0.04423 0.11702 0.19348 81 7D-1 -0.13765 -0.06744 0.00311 -0.09483 0.13961 82 7D+2 -0.05684 -0.06509 -0.00104 0.03298 0.03175 83 7D-2 -0.07628 -0.10428 -0.07146 0.11715 -0.07074 84 8D 0 0.01811 -0.09592 -0.07639 -0.02857 -0.12033 85 8D+1 -0.14510 0.05770 -0.07595 -0.23641 -0.38054 86 8D-1 0.27838 0.12554 -0.00224 0.19093 -0.27008 87 8D+2 0.14018 0.12313 0.00969 -0.07061 -0.08987 88 8D-2 0.21640 0.20527 0.13356 -0.23750 0.15165 89 5 Cu 1S 0.09914 -0.00060 -0.00148 0.00114 0.00085 90 2S 0.47526 -0.00137 -0.00458 0.00424 0.00374 91 3S 1.73898 0.00673 0.00623 -0.00303 0.00478 92 4PX 0.01452 -0.01274 0.00984 0.00552 -0.01188 93 4PY -0.02817 0.00318 0.01231 -0.00823 -0.00663 94 4PZ 0.02769 0.01008 0.00722 -0.01126 -0.00015 95 5PX -1.25606 0.23073 -0.15149 0.00407 -0.06335 96 5PY 2.50684 -0.06720 -0.22389 -0.01146 -0.02379 97 5PZ -2.34473 -0.18274 -0.11773 -0.04556 -0.02459 98 6PX 0.11275 0.16986 -0.12053 0.03787 -0.10566 99 6PY -0.22319 -0.04557 -0.15404 -0.06065 -0.06396 100 6PZ 0.21124 -0.14083 -0.10407 -0.08032 -0.00968 101 7D 0 0.00626 0.06049 -0.03144 0.00922 0.03685 102 7D+1 0.01927 -0.01717 -0.19478 0.07838 0.10809 103 7D-1 -0.04492 0.12141 -0.08421 -0.04942 0.09155 104 7D+2 -0.01826 -0.08833 0.06324 0.04057 -0.03434 105 7D-2 -0.02615 -0.15604 -0.07856 0.13789 -0.03103 106 8D 0 -0.03050 -0.12201 0.06653 -0.00023 -0.08125 107 8D+1 -0.09457 0.03446 0.40246 -0.17429 -0.22953 108 8D-1 0.20254 -0.25030 0.17268 0.10659 -0.19770 109 8D+2 0.08113 0.18098 -0.13020 -0.08383 0.09324 110 8D-2 0.11344 0.32094 0.16059 -0.29634 0.05866 111 6 Cu 1S 0.08723 0.01801 0.00854 0.00801 -0.00074 112 2S 0.16897 0.05037 0.02391 -0.03550 0.00500 113 3S 0.06200 -0.16351 -0.07865 0.09901 -0.00956 114 4PX -0.00288 0.00677 -0.01274 0.00684 0.00351 115 4PY 0.00558 0.00085 -0.01040 -0.01039 0.00409 116 4PZ -0.00571 0.00943 0.00165 0.00463 0.00041 117 5PX 0.05920 -0.12533 0.19195 -0.01318 -0.04756 118 5PY -0.03717 0.02288 0.18033 0.03738 -0.03470 119 5PZ -0.19180 -0.18050 -0.03974 -0.12120 0.00094 120 6PX -0.11143 -0.00206 0.01476 -0.04600 0.07837 121 6PY 0.18698 0.00616 0.01219 0.07057 0.04250 122 6PZ -0.10371 -0.07000 -0.03136 0.07044 0.00417 123 7D 0 0.10619 0.02577 -0.06597 0.03084 0.02426 124 7D+1 -0.10209 0.02507 -0.23451 0.03001 0.08200 125 7D-1 0.05801 0.20275 -0.08135 0.01158 0.06211 126 7D+2 -0.04556 0.03749 0.09225 0.06320 -0.01605 127 7D-2 -0.14832 0.09524 0.06316 0.15595 -0.02967 128 8D 0 -0.23292 -0.04443 0.14547 -0.04527 -0.05484 129 8D+1 0.23330 -0.06084 0.49736 -0.05282 -0.17860 130 8D-1 -0.14712 -0.42600 0.17319 -0.04504 -0.13177 131 8D+2 0.08996 -0.08818 -0.17970 -0.12793 0.03404 132 8D-2 0.30935 -0.20331 -0.14328 -0.30811 0.06040 133 7 Cu 1S -0.03189 -0.00145 -0.03556 0.03628 0.04614 134 2S -0.14139 -0.00475 -0.08894 0.06849 0.08545 135 3S -1.43196 -0.00994 0.20917 -0.65025 -0.85631 136 4PX 0.00070 0.00629 -0.00336 0.02308 -0.00217 137 4PY -0.00744 0.00006 0.00946 0.00274 0.01032 138 4PZ 0.00313 -0.00473 -0.00765 -0.00233 0.02004 139 5PX -0.44427 -0.16151 0.06997 -0.16427 -0.08096 140 5PY 0.15391 -0.00153 -0.27660 -0.10610 -0.18710 141 5PZ -0.65211 0.12544 0.14208 -0.06844 -0.17748 142 6PX -0.10807 -0.07236 0.03672 -0.04626 -0.13658 143 6PY -0.34475 0.01193 0.04575 -0.11249 -0.13323 144 6PZ -0.05241 0.04909 0.01977 -0.11918 -0.10258 145 7D 0 0.03478 0.03325 -0.01029 0.06134 -0.00650 146 7D+1 0.06978 -0.03054 -0.13718 0.04249 0.12315 147 7D-1 -0.13859 -0.03560 0.05081 -0.04694 0.16891 148 7D+2 -0.03377 0.01255 0.08779 0.03765 -0.00997 149 7D-2 -0.08115 0.07042 -0.00781 0.21162 -0.04842 150 8D 0 -0.09648 -0.05751 0.02352 -0.14051 0.02883 151 8D+1 -0.20455 0.05548 0.27009 -0.08161 -0.25604 152 8D-1 0.28410 0.06247 -0.09520 0.08774 -0.33271 153 8D+2 0.06525 -0.02357 -0.16216 -0.05870 0.01667 154 8D-2 0.15995 -0.12594 0.01367 -0.42278 0.09179 155 8 Cu 1S 0.09006 -0.01591 0.01042 -0.00331 0.00848 156 2S 0.17445 -0.04558 0.03385 0.01387 -0.02937 157 3S 0.02657 0.14255 -0.10636 -0.02992 0.08278 158 4PX -0.00320 -0.00628 0.00400 0.00022 0.00044 159 4PY 0.00573 -0.00303 -0.01197 0.00797 -0.00804 160 4PZ -0.00574 -0.01035 -0.00839 0.00079 0.00995 161 5PX -0.21292 0.11149 -0.06310 0.03628 -0.10166 162 5PY 0.00762 0.01434 0.21843 -0.07196 0.05129 163 5PZ 0.00090 0.19606 0.10480 -0.03385 -0.06911 164 6PX -0.01922 0.05801 -0.04819 -0.03392 0.08393 165 6PY 0.16606 -0.01133 0.02324 0.04260 0.06096 166 6PZ -0.16713 0.02984 0.00097 0.07173 -0.01192 167 7D 0 -0.08977 0.00573 -0.04640 0.02536 0.01383 168 7D+1 -0.05523 -0.06464 -0.20567 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0.18738 -0.04743 13 7D 0 -0.05670 0.06734 -0.04499 -0.05165 -0.05816 14 7D+1 -0.03848 0.10650 -0.19609 0.03292 0.00232 15 7D-1 0.18054 0.02100 -0.16239 -0.02238 0.01904 16 7D+2 -0.00383 0.04947 -0.00045 0.04612 -0.07581 17 7D-2 0.13231 0.01012 -0.14143 0.03902 0.04095 18 8D 0 0.12469 -0.17795 0.12753 0.14841 0.13648 19 8D+1 0.09045 -0.26156 0.51291 -0.09357 0.00190 20 8D-1 -0.40322 -0.07031 0.41143 0.04689 -0.04327 21 8D+2 0.00289 -0.14797 0.01070 -0.12271 0.17071 22 8D-2 -0.29277 -0.02968 0.35862 -0.08121 -0.09131 23 2 Cu 1S -0.00552 0.01655 0.01221 -0.02468 0.04194 24 2S -0.04583 0.08105 0.08910 -0.17910 0.10498 25 3S -0.60515 0.40227 0.64216 -1.29668 -0.00965 26 4PX -0.01898 0.01388 0.00214 -0.00450 -0.00041 27 4PY 0.00639 -0.00792 -0.00689 -0.01380 0.00682 28 4PZ -0.00540 0.00774 -0.01523 0.00296 -0.01819 29 5PX 0.22801 0.55055 -0.53810 1.06769 -0.06927 30 5PY 0.10461 -0.81605 -0.97386 -0.38848 -0.14405 31 5PZ -0.11151 0.80775 -0.89612 -0.57508 0.16309 32 6PX 0.16103 0.43236 -0.29096 0.57906 -0.02074 33 6PY -0.01560 -0.62143 -0.60645 -0.21859 0.04076 34 6PZ 0.00689 0.61206 -0.53749 -0.35574 -0.17624 35 7D 0 0.00205 -0.09078 0.19112 0.03900 -0.02214 36 7D+1 -0.07541 0.05905 -0.05767 -0.03651 0.05761 37 7D-1 0.10887 0.01509 -0.01273 0.00577 0.18338 38 7D+2 0.00944 0.14718 0.05937 0.12884 0.05730 39 7D-2 0.07995 -0.06605 -0.06730 -0.03021 0.02196 40 8D 0 -0.01594 0.25569 -0.57369 -0.10992 0.04550 41 8D+1 0.15680 -0.18585 0.12013 0.11067 -0.13884 42 8D-1 -0.19901 0.00613 0.02994 0.00231 -0.46689 43 8D+2 0.00227 -0.40756 -0.17363 -0.39579 -0.14165 44 8D-2 -0.16692 0.20922 0.17196 0.04897 -0.05953 45 3 Cu 1S 0.01799 -0.27872 -0.00263 -0.00596 0.00250 46 2S 0.01391 -0.38375 -0.00314 -0.00728 0.00469 47 3S 0.95694 5.36414 0.06288 0.12964 -0.03943 48 4PX -0.00593 -0.01801 0.00194 -0.00449 0.00977 49 4PY 0.01171 0.03589 0.00394 0.00133 0.01170 50 4PZ -0.01110 -0.03395 0.00219 0.00169 0.00751 51 5PX 0.10397 0.65247 -0.09820 0.22251 -0.07514 52 5PY -0.20362 -1.30671 -0.19443 -0.05530 -0.08350 53 5PZ 0.19424 1.24237 -0.11816 -0.10175 -0.05939 54 6PX 0.03406 0.15593 0.15027 -0.28687 -0.01090 55 6PY -0.06970 -0.30054 0.24968 0.02613 -0.00745 56 6PZ 0.06598 0.27557 0.18794 0.19471 -0.01090 57 7D 0 -0.01566 -0.04362 0.04381 0.04580 0.04728 58 7D+1 -0.05117 -0.12872 0.02734 -0.02924 0.00924 59 7D-1 0.09753 0.25761 0.00854 -0.01266 -0.00500 60 7D+2 0.03902 0.10191 0.05055 -0.01757 0.09326 61 7D-2 0.05124 0.13570 -0.00528 0.04358 -0.03848 62 8D 0 0.03092 0.11169 -0.11766 -0.13407 -0.11026 63 8D+1 0.10188 0.32628 -0.05140 0.07843 -0.02762 64 8D-1 -0.19330 -0.65373 -0.01540 0.01940 0.00897 65 8D+2 -0.07730 -0.25906 -0.14369 0.06068 -0.21346 66 8D-2 -0.10153 -0.34469 0.02761 -0.10053 0.08656 67 4 Cu 1S -0.00515 0.01598 0.01493 0.02201 0.02815 68 2S -0.04470 0.07519 0.11110 0.16480 0.07097 69 3S -0.60998 0.35974 0.81180 1.21064 0.00229 70 4PX 0.00186 0.00106 -0.01628 0.00162 -0.01353 71 4PY 0.00291 -0.00620 -0.00169 0.01468 0.00434 72 4PZ -0.02054 0.01676 -0.00177 0.00185 -0.00578 73 5PX -0.14442 0.36426 -0.76176 1.05624 0.10677 74 5PY 0.17014 -0.80161 -0.89618 0.12040 -0.11789 75 5PZ 0.15695 0.95445 -0.74691 -0.72261 0.00935 76 6PX -0.04245 0.27157 -0.47355 0.63201 -0.13815 77 6PY 0.02136 -0.60399 -0.55481 0.06197 0.01869 78 6PZ 0.15840 0.72870 -0.40640 -0.36962 -0.07002 79 7D 0 -0.06546 0.18913 -0.04197 -0.05392 0.04478 80 7D+1 -0.04666 -0.05825 0.03318 0.03882 0.02596 81 7D-1 0.11533 0.00767 -0.05637 -0.01606 0.08253 82 7D+2 0.04217 0.01663 0.17673 -0.12997 0.02982 83 7D-2 0.05555 0.02375 -0.07119 0.05351 0.10581 84 8D 0 0.15336 -0.54930 0.10941 0.16382 -0.10585 85 8D+1 0.08358 0.14958 -0.14743 -0.10577 -0.06745 86 8D-1 -0.22168 0.01728 0.15130 0.08537 -0.21029 87 8D+2 -0.07587 -0.02765 -0.51332 0.36854 -0.08359 88 8D-2 -0.09544 -0.03568 0.19489 -0.18483 -0.26531 89 5 Cu 1S 0.04609 -0.02054 0.00272 0.00117 0.00061 90 2S 0.25478 -0.18986 0.00583 -0.00023 0.00018 91 3S 0.53000 -1.24800 -0.02294 -0.03567 -0.02609 92 4PX 0.00591 -0.01039 -0.01237 0.02391 0.01059 93 4PY -0.01125 0.01986 -0.02128 -0.00251 0.01216 94 4PZ 0.01126 -0.01820 -0.01538 -0.01590 0.00824 95 5PX -0.56222 0.26266 -0.41194 0.79173 -0.15725 96 5PY 1.11543 -0.54043 -0.68051 -0.09095 -0.21564 97 5PZ -1.05223 0.53721 -0.51040 -0.50603 -0.11468 98 6PX 0.02960 0.27230 -0.17502 0.35972 0.21870 99 6PY -0.05099 -0.56178 -0.31628 -0.05636 0.26768 100 6PZ 0.06253 0.53309 -0.21393 -0.21241 0.16647 101 7D 0 -0.02843 0.01146 -0.11993 -0.16004 -0.13806 102 7D+1 -0.08056 0.01873 -0.01087 0.07212 -0.26703 103 7D-1 0.15643 -0.04018 0.00612 0.00386 -0.09532 104 7D+2 0.06107 -0.01638 -0.16129 0.09493 -0.10775 105 7D-2 0.08368 -0.02049 0.05962 -0.06028 -0.02295 106 8D 0 0.05111 -0.03782 0.34950 0.47921 0.35508 107 8D+1 0.13935 -0.06812 0.00539 -0.21098 0.70078 108 8D-1 -0.26721 0.14527 -0.02597 0.00813 0.25081 109 8D+2 -0.10340 0.05955 0.48011 -0.29199 0.26693 110 8D-2 -0.14218 0.07602 -0.18948 0.15714 0.06649 111 6 Cu 1S 0.00536 0.09023 0.10692 0.16053 0.00410 112 2S 0.00988 0.12899 0.11265 0.16912 0.00143 113 3S -0.06560 -1.65035 -2.49283 -3.73573 -0.04214 114 4PX -0.00279 -0.00905 -0.00878 -0.02368 -0.00953 115 4PY 0.00061 0.01305 0.01863 0.02091 -0.00160 116 4PZ 0.01314 0.00197 0.01963 0.02764 -0.00953 117 5PX 0.06042 0.36413 0.34865 0.93384 0.10387 118 5PY -0.02601 -0.52103 -0.80541 -0.93409 0.01612 119 5PZ -0.24570 -0.09353 -0.52787 -0.71635 0.07157 120 6PX -0.03559 -0.02403 0.33895 0.08349 -0.06225 121 6PY 0.04525 0.15856 -0.07547 -0.39767 -0.07882 122 6PZ 0.01457 -0.45755 0.00873 -0.06437 -0.02042 123 7D 0 0.05097 -0.07446 0.00535 -0.01477 -0.03955 124 7D+1 -0.12343 -0.01095 -0.05449 -0.13986 0.03138 125 7D-1 0.17635 0.02411 0.12489 0.12450 -0.00797 126 7D+2 0.05183 -0.03575 -0.08123 0.00091 0.04900 127 7D-2 0.04391 -0.09692 -0.08916 -0.17044 -0.02540 128 8D 0 -0.10810 0.20968 -0.00044 0.04869 0.09024 129 8D+1 0.27334 0.03191 0.15242 0.34468 -0.07464 130 8D-1 -0.39432 -0.07967 -0.31153 -0.32271 0.01894 131 8D+2 -0.11733 0.08429 0.22445 -0.00671 -0.12432 132 8D-2 -0.10219 0.23661 0.22597 0.45110 0.06730 133 7 Cu 1S -0.00761 0.01742 -0.02837 0.00243 -0.07297 134 2S -0.05142 0.08325 -0.20171 0.01611 -0.18170 135 3S -0.58910 0.39582 -1.44030 0.10893 0.06090 136 4PX 0.00243 0.00026 0.00912 0.01327 0.01376 137 4PY 0.02027 -0.01695 -0.00094 -0.00285 -0.01185 138 4PZ -0.00157 0.00540 0.01095 -0.01067 0.02404 139 5PX -0.15135 0.34609 -0.39551 1.23110 -0.21394 140 5PY -0.14607 -0.95443 -1.03260 -0.16473 0.04007 141 5PZ -0.17821 0.77802 -0.47021 -0.80837 -0.31604 142 6PX -0.04256 0.25939 -0.22083 0.75307 0.10928 143 6PY -0.14920 -0.73164 -0.55081 -0.11194 -0.11239 144 6PZ -0.02457 0.57895 -0.27908 -0.49159 0.19862 145 7D 0 0.00915 -0.10841 -0.02743 0.19423 0.13148 146 7D+1 -0.04858 -0.01858 0.00449 -0.07583 0.27061 147 7D-1 0.11055 0.01868 0.04987 0.02642 -0.13241 148 7D+2 0.08328 -0.14684 -0.06260 -0.11346 -0.00578 149 7D-2 0.04606 0.06565 0.05762 0.01483 -0.06970 150 8D 0 -0.03589 0.30219 0.07254 -0.56472 -0.32244 151 8D+1 0.08144 0.02346 -0.04540 0.22785 -0.68511 152 8D-1 -0.20995 -0.01382 -0.16505 -0.04129 0.33942 153 8D+2 -0.18123 0.43920 0.18117 0.31374 0.03116 154 8D-2 -0.08080 -0.16745 -0.19156 -0.08607 0.17326 155 8 Cu 1S 0.00654 0.09853 0.08440 -0.16891 0.00598 156 2S 0.01347 0.13790 0.08874 -0.17711 0.00269 157 3S -0.06803 -1.84537 -1.97143 3.94873 -0.04703 158 4PX 0.01313 0.00940 0.01977 -0.03989 -0.00937 159 4PY -0.00214 0.01072 0.01127 -0.01108 0.00080 160 4PZ 0.00163 -0.01074 -0.00251 0.01611 -0.01281 161 5PX -0.25077 -0.37233 -0.61721 1.22728 0.05982 162 5PY 0.02990 -0.43223 -0.52365 0.61586 0.00231 163 5PZ -0.02350 0.43201 0.17363 -0.78991 0.12370 164 6PX 0.03297 -0.39094 -0.08487 0.16936 -0.02579 165 6PY 0.03398 0.20311 0.05178 0.36161 -0.08532 166 6PZ -0.03900 -0.19323 0.30935 -0.17512 -0.03634 167 7D 0 -0.07394 0.01424 -0.07217 0.04701 0.07664 168 7D+1 -0.08146 -0.07567 -0.02964 0.17050 -0.01739 169 7D-1 0.12337 -0.08451 -0.04651 0.09191 -0.00497 170 7D+2 0.14262 -0.02468 0.03648 -0.12472 -0.03022 171 7D-2 0.08233 0.07628 0.11836 -0.12518 0.00885 172 8D 0 0.16181 -0.04223 0.20131 -0.10513 -0.18642 173 8D+1 0.18222 0.20687 0.08761 -0.43808 0.04274 174 8D-1 -0.28028 0.19591 0.12245 -0.24664 0.01642 175 8D+2 -0.31329 0.06973 -0.07680 0.31461 0.06248 176 8D-2 -0.18458 -0.21032 -0.29856 0.33081 -0.01937 177 9 C 1S 0.01775 -0.00171 -0.00054 -0.00029 -0.00016 178 2S -0.68776 -0.13130 -0.00494 -0.00680 0.00469 179 3S 1.59357 0.02477 0.00271 0.00639 -0.01807 180 4PX 0.09119 -0.02995 -0.00298 -0.00081 -0.04901 181 4PY -0.18441 0.06020 0.00349 0.00348 -0.06067 182 4PZ 0.16756 -0.05509 -0.00445 -0.00309 -0.03750 183 5PX -0.20121 -0.06338 -0.14678 0.27327 -0.05592 184 5PY 0.40110 0.11949 -0.23736 -0.02463 -0.08032 185 5PZ -0.37339 -0.10253 -0.18324 -0.18395 -0.04024 186 10 O 1S 0.00164 -0.00531 0.00040 0.00010 0.00039 187 2S -0.00616 0.00304 -0.00788 -0.00400 -0.00402 188 3S -0.13757 0.10578 0.01265 0.00824 0.00303 189 4PX 0.00355 -0.00585 -0.04334 0.08038 -0.01144 190 4PY -0.00747 0.01053 -0.07102 -0.00782 -0.01632 191 4PZ 0.00665 -0.00482 -0.05265 -0.05195 -0.00838 192 5PX 0.05072 -0.02917 0.12404 -0.23791 0.05993 193 5PY -0.10056 0.06388 0.21252 0.02754 0.07707 194 5PZ 0.09385 -0.06938 0.14995 0.14894 0.04586 176 177 178 179 180 V V V V V EIGENVALUES -- 1.23370 1.28193 1.31044 1.31055 1.31674 1 1 Cu 1S -0.00084 0.00036 0.00479 -0.00011 -0.00470 2 2S 0.00053 0.00062 -0.00471 0.00097 -0.00408 3 3S 0.01882 -0.00243 0.01185 0.00163 0.04562 4 4PX 0.00909 -0.01603 -0.00008 0.00764 -0.01480 5 4PY -0.00331 0.00282 -0.00479 -0.00097 0.00232 6 4PZ -0.00539 0.01152 0.00025 -0.00545 0.01243 7 5PX -0.09654 0.26819 -0.20862 -0.57276 -0.10119 8 5PY 0.02444 -0.04830 0.81371 0.05214 0.04710 9 5PZ 0.05311 -0.19130 -0.41585 0.44361 0.02043 10 6PX 0.07871 -0.13220 0.13857 0.46765 0.06047 11 6PY -0.01591 0.02455 -0.59793 -0.04661 -0.04467 12 6PZ -0.06568 0.09507 0.27987 -0.35962 -0.02998 13 7D 0 0.04635 -0.13380 -0.12329 0.17089 -0.05101 14 7D+1 -0.02138 0.05189 -0.05112 -0.05529 0.01120 15 7D-1 -0.00009 -0.02053 0.03509 0.05007 -0.01805 16 7D+2 -0.03338 0.07832 -0.18192 -0.09752 0.02484 17 7D-2 0.02033 -0.01180 0.08058 -0.02841 0.02892 18 8D 0 -0.11923 0.35378 0.36963 -0.50444 0.11330 19 8D+1 0.05534 -0.13653 0.16441 0.16221 -0.02163 20 8D-1 0.00040 0.05886 -0.11407 -0.14790 0.03013 21 8D+2 0.08286 -0.20949 0.53488 0.28792 -0.04507 22 8D-2 -0.05006 0.02515 -0.24292 0.08501 -0.06236 23 2 Cu 1S -0.05832 0.00015 -0.02666 -0.04058 0.01049 24 2S -0.14614 0.00029 -0.08400 -0.12768 0.05719 25 3S 0.02802 -0.00251 -0.51753 -0.77171 1.43443 26 4PX 0.00003 -0.00043 -0.02071 -0.03293 0.00611 27 4PY -0.02184 -0.00745 0.03155 -0.00958 0.03155 28 4PZ 0.01254 -0.00795 0.02239 -0.02511 -0.03350 29 5PX 0.09574 0.00461 0.51056 0.80537 -0.46775 30 5PY 0.22486 -0.03664 -0.53605 0.28275 -0.79401 31 5PZ -0.20634 -0.03337 -0.48819 0.39454 0.92363 32 6PX 0.01960 -0.00210 -0.20023 -0.33404 -0.33655 33 6PY -0.20176 0.03956 0.61087 -0.07462 0.42394 34 6PZ 0.09147 0.03513 0.31295 -0.55844 -0.38616 35 7D 0 0.03348 0.04781 0.09153 -0.15650 -0.00511 36 7D+1 0.00511 0.20011 0.02455 -0.06680 0.24540 37 7D-1 -0.25854 -0.00599 -0.03523 -0.04098 -0.02133 38 7D+2 -0.07235 0.04045 0.15293 0.05573 -0.01424 39 7D-2 0.05231 0.19120 0.06177 0.00663 -0.22539 40 8D 0 -0.08355 -0.14587 -0.27066 0.44706 0.00868 41 8D+1 -0.01882 -0.54353 -0.10639 0.20656 -0.70133 42 8D-1 0.65947 0.01701 0.11685 0.13854 0.07835 43 8D+2 0.17099 -0.11897 -0.43586 -0.14650 0.05609 44 8D-2 -0.12355 -0.51897 -0.20425 0.00695 0.64137 45 3 Cu 1S 0.00179 0.00028 -0.00122 0.00180 0.00181 46 2S 0.00360 0.00051 -0.00268 0.00421 0.00429 47 3S -0.01736 -0.00169 0.01635 -0.00922 -0.00138 48 4PX -0.01268 0.00020 0.00503 0.00731 -0.02387 49 4PY 0.00367 -0.00002 0.00673 -0.00165 -0.00141 50 4PZ 0.01071 -0.00013 0.00445 -0.00580 0.01082 51 5PX 0.09340 -0.00089 0.21880 0.31237 0.71088 52 5PY -0.02546 0.00032 0.28511 -0.07245 0.04237 53 5PZ -0.07971 0.00045 0.18620 -0.23902 -0.32587 54 6PX 0.01277 -0.00089 -0.16822 -0.24436 -0.55863 55 6PY -0.00263 0.00026 -0.22319 0.05664 -0.03501 56 6PZ -0.01412 0.00030 -0.14191 0.18640 0.25763 57 7D 0 0.09559 -0.00084 -0.02565 0.04139 0.19018 58 7D+1 -0.03677 0.00023 -0.01342 -0.01737 -0.13155 59 7D-1 -0.00115 0.00011 -0.00191 -0.00607 -0.05039 60 7D+2 -0.03591 0.00039 -0.04224 -0.01549 -0.16565 61 7D-2 0.02336 -0.00064 0.01396 0.02050 0.15461 62 8D 0 -0.21901 0.00192 0.09262 -0.13936 -0.53041 63 8D+1 0.08438 -0.00044 0.06354 0.05929 0.36447 64 8D-1 0.00644 -0.00026 0.01332 0.03266 0.13715 65 8D+2 0.08019 -0.00081 0.14182 0.04576 0.46286 66 8D-2 -0.05932 0.00160 -0.04077 -0.08553 -0.42707 67 4 Cu 1S 0.06432 -0.00053 -0.02079 0.04191 -0.00784 68 2S 0.16101 -0.00139 -0.06673 0.13315 -0.04185 69 3S -0.02531 0.00223 -0.43450 0.83800 -1.02629 70 4PX -0.00943 0.00894 0.03591 0.01197 0.02415 71 4PY 0.02425 0.00582 0.02299 0.01004 -0.02294 72 4PZ -0.00937 0.00174 -0.01215 0.03871 0.00850 73 5PX 0.18783 0.04355 -0.74908 -0.10895 -0.85649 74 5PY -0.30013 0.03188 -0.35353 -0.35803 0.54750 75 5PZ 0.01659 0.00296 0.29192 -0.86278 -0.04705 76 6PX -0.06372 -0.04356 0.53369 0.37544 0.19065 77 6PY 0.21393 -0.03192 0.48510 -0.00024 -0.23377 78 6PZ -0.10517 -0.00426 -0.11309 0.48901 0.37809 79 7D 0 0.06118 -0.07035 0.07029 -0.06549 -0.14205 80 7D+1 -0.06784 -0.21989 0.06709 0.13599 -0.12616 81 7D-1 0.09370 -0.15576 0.08262 -0.04192 0.13165 82 7D+2 0.12889 0.05017 0.10891 0.07735 0.04838 83 7D-2 0.24453 0.02130 -0.10264 0.03921 -0.08357 84 8D 0 -0.13785 0.19255 -0.21172 0.17954 0.39854 85 8D+1 0.17032 0.60368 -0.23438 -0.39805 0.36958 86 8D-1 -0.24288 0.42438 -0.25391 0.08846 -0.38075 87 8D+2 -0.32420 -0.12080 -0.29508 -0.22548 -0.15134 88 8D-2 -0.62239 -0.06525 0.30437 -0.12670 0.23141 89 5 Cu 1S 0.00048 -0.00003 -0.00133 0.00102 -0.00019 90 2S 0.00054 -0.00015 -0.00289 0.00205 -0.00093 91 3S -0.00319 -0.00112 0.02147 -0.01385 -0.01303 92 4PX -0.01318 0.00044 -0.02925 -0.04257 -0.01361 93 4PY 0.00351 0.00006 -0.03889 0.01019 -0.00059 94 4PZ 0.01155 -0.00025 -0.02585 0.03340 0.00645 95 5PX 0.22148 -0.00875 0.78038 1.15530 -0.19145 96 5PY -0.06466 -0.00059 1.06740 -0.28362 -0.02063 97 5PZ -0.18628 0.00582 0.68756 -0.89864 0.09035 98 6PX -0.28777 0.00704 -0.42862 -0.64074 -0.01033 99 6PY 0.08425 0.00051 -0.57822 0.15725 0.00183 100 6PZ 0.24234 -0.00343 -0.38563 0.50935 0.00961 101 7D 0 -0.11827 0.00159 0.09040 -0.19579 -0.01660 102 7D+1 0.04250 -0.00078 -0.04253 0.07372 -0.02081 103 7D-1 0.16152 -0.00081 -0.03375 -0.03483 -0.04735 104 7D+2 -0.04249 -0.00075 0.18541 0.10362 0.02820 105 7D-2 -0.26104 0.00164 -0.09508 0.00233 0.04533 106 8D 0 0.29577 -0.00428 -0.25926 0.56633 0.04115 107 8D+1 -0.10559 0.00211 0.13069 -0.21256 0.07827 108 8D-1 -0.42610 0.00216 0.10120 0.10537 0.16181 109 8D+2 0.11771 0.00193 -0.53657 -0.30246 -0.08284 110 8D-2 0.68371 -0.00444 0.27791 -0.01369 -0.16200 111 6 Cu 1S 0.01057 0.00046 -0.00002 0.00149 -0.01249 112 2S 0.00547 0.00118 0.00700 -0.01112 -0.01109 113 3S -0.09939 0.00033 -0.00570 0.01317 0.11574 114 4PX 0.00102 0.01647 0.00744 0.00331 -0.01035 115 4PY 0.01124 0.01085 0.00479 0.00216 -0.01145 116 4PZ -0.01710 0.00296 -0.00073 0.00489 -0.00110 117 5PX 0.00040 -0.27333 -0.44723 -0.41525 -0.14857 118 5PY -0.11725 -0.18287 -0.56224 0.24771 0.04431 119 5PZ 0.10978 -0.04514 0.25743 -0.74234 -0.10614 120 6PX 0.07402 0.13522 0.36936 0.31166 0.08844 121 6PY -0.02866 0.09150 0.43114 -0.16010 0.01464 122 6PZ -0.00973 0.02175 -0.18824 0.55892 0.10756 123 7D 0 -0.09494 0.00231 -0.08575 0.20568 0.02974 124 7D+1 0.03146 -0.00469 0.06043 -0.04747 -0.03766 125 7D-1 -0.01403 0.02518 0.04385 0.04004 -0.00144 126 7D+2 -0.03082 -0.15136 -0.17984 -0.05709 0.03721 127 7D-2 0.00750 0.06140 0.03930 0.07357 -0.00182 128 8D 0 0.21806 -0.00756 0.25402 -0.60856 -0.08872 129 8D+1 -0.06952 0.00602 -0.18092 0.14337 0.08988 130 8D-1 0.03200 -0.07082 -0.12537 -0.12669 -0.01243 131 8D+2 0.07990 0.40104 0.53300 0.16012 -0.07385 132 8D-2 -0.01269 -0.16144 -0.10893 -0.22857 -0.00755 133 7 Cu 1S -0.00817 0.00010 0.04975 -0.00347 -0.00414 134 2S -0.02063 0.00026 0.15547 -0.01040 -0.01916 135 3S 0.00536 0.00094 0.91391 -0.04764 -0.39883 136 4PX 0.00992 -0.00893 -0.00502 0.03612 0.01854 137 4PY -0.00278 0.00155 -0.04056 -0.00421 -0.00544 138 4PZ -0.00317 0.00637 -0.00143 -0.02541 0.00235 139 5PX -0.04126 -0.03402 0.24075 -0.67473 -0.75990 140 5PY 0.00903 0.00787 0.90194 0.06994 0.10920 141 5PZ -0.02727 0.02535 0.19929 0.46055 0.09665 142 6PX 0.11372 0.03928 0.09319 0.59726 0.25287 143 6PY -0.03011 -0.00708 -0.51608 -0.08090 -0.18499 144 6PZ -0.05057 -0.02821 0.18794 -0.43924 -0.04470 145 7D 0 0.00066 0.02137 0.02235 -0.12286 -0.04198 146 7D+1 0.03006 0.01979 -0.08741 0.06777 0.05193 147 7D-1 -0.05299 0.16257 -0.07017 0.06908 0.00846 148 7D+2 0.02538 -0.09083 0.07943 0.02621 0.10978 149 7D-2 0.03944 -0.21373 -0.10288 -0.11874 0.07970 150 8D 0 -0.00825 -0.04381 -0.05631 0.34420 0.13283 151 8D+1 -0.07325 -0.06000 0.26605 -0.19740 -0.14739 152 8D-1 0.13400 -0.44357 0.17759 -0.22783 -0.02162 153 8D+2 -0.05829 0.24046 -0.23057 -0.05551 -0.31962 154 8D-2 -0.10161 0.58733 0.28467 0.38070 -0.23528 155 8 Cu 1S -0.00898 -0.00025 -0.00112 -0.00206 0.01920 156 2S -0.00380 -0.00045 0.00512 0.00893 0.01969 157 3S 0.09497 0.00416 -0.01385 -0.00698 -0.15695 158 4PX 0.01144 -0.00048 -0.00197 -0.00391 0.00035 159 4PY -0.01382 -0.01376 0.00631 -0.00268 0.00751 160 4PZ 0.00372 -0.01442 0.00519 -0.00503 0.00005 161 5PX -0.05642 0.00500 0.29130 0.48287 0.06475 162 5PY 0.13098 0.23344 -0.70987 -0.18794 -0.10406 163 5PZ -0.02867 0.23702 -0.15436 0.69407 0.17448 164 6PX 0.03113 -0.00042 -0.22320 -0.36523 -0.10500 165 6PY -0.00879 -0.11634 0.54049 0.11066 0.03116 166 6PZ -0.07916 -0.11735 0.15294 -0.51876 -0.09779 167 7D 0 -0.00762 0.13132 -0.06521 0.16644 0.02605 168 7D+1 0.01291 -0.04675 0.03634 -0.10764 0.00352 169 7D-1 0.00061 -0.00478 -0.01912 -0.03806 -0.01687 170 7D+2 0.08980 0.07409 -0.16463 -0.11044 -0.05397 171 7D-2 -0.02733 -0.04961 0.12153 0.01947 0.01296 172 8D 0 0.00801 -0.34503 0.18992 -0.49101 -0.08109 173 8D+1 -0.03023 0.12888 -0.10809 0.31649 -0.00056 174 8D-1 -0.00714 0.01236 0.06653 0.12715 0.05170 175 8D+2 -0.20903 -0.19496 0.48812 0.33142 0.14611 176 8D-2 0.06611 0.13658 -0.35783 -0.05650 -0.02859 177 9 C 1S -0.00024 0.00000 -0.00009 0.00003 0.00008 178 2S 0.00358 0.00014 -0.00076 0.00015 -0.00101 179 3S -0.00804 -0.00046 0.01839 -0.01169 -0.00041 180 4PX 0.06474 -0.00063 0.00196 0.00248 -0.01300 181 4PY -0.01804 0.00006 0.00425 -0.00047 -0.00166 182 4PZ -0.05650 0.00043 0.00085 -0.00146 0.00729 183 5PX 0.07988 0.00147 -0.07258 -0.09851 0.01503 184 5PY -0.02629 0.00003 -0.08926 0.02119 -0.00064 185 5PZ -0.06423 -0.00043 -0.06576 0.07972 -0.00637 186 10 O 1S 0.00026 -0.00001 -0.00033 0.00022 0.00001 187 2S -0.00315 0.00009 0.00477 -0.00360 0.00022 188 3S 0.00353 -0.00012 -0.00677 0.00580 -0.00124 189 4PX 0.01633 0.00015 0.00636 0.00998 -0.00409 190 4PY -0.00530 0.00003 0.00976 -0.00260 -0.00078 191 4PZ -0.01328 -0.00005 0.00512 -0.00732 0.00200 192 5PX -0.08139 -0.00031 -0.00397 -0.00904 0.01100 193 5PY 0.02512 -0.00014 -0.00976 0.00377 0.00148 194 5PZ 0.06781 0.00004 -0.00199 0.00439 -0.00472 181 182 183 184 185 V V V V V EIGENVALUES -- 1.31704 1.32145 1.33051 1.33083 1.35495 1 1 Cu 1S 0.02120 -0.00029 -0.00809 0.00611 0.08259 2 2S 0.02428 -0.00040 -0.01318 0.00909 0.16166 3 3S -0.16339 0.00103 0.02217 -0.01863 -0.35443 4 4PX -0.00699 -0.00877 -0.00430 -0.00318 0.00348 5 4PY 0.00207 0.00156 0.00225 -0.00057 -0.02402 6 4PZ -0.00073 0.00636 0.00185 0.00322 0.01060 7 5PX 0.04229 -0.51269 0.38849 0.13269 -0.06434 8 5PY -0.11563 0.09002 -0.45791 0.40389 0.35807 9 5PZ 0.14673 0.36807 0.04806 -0.45587 -0.18621 10 6PX 0.01418 0.57485 -0.33135 -0.20368 0.03560 11 6PY 0.11936 -0.10120 0.41199 -0.35602 -0.05360 12 6PZ -0.05560 -0.41326 0.04759 0.35480 0.07325 13 7D 0 0.01645 0.10878 -0.02199 -0.16679 -0.09077 14 7D+1 0.01000 -0.04131 0.05999 0.00700 -0.05339 15 7D-1 -0.03069 0.02080 -0.04298 0.00548 0.03665 16 7D+2 0.04086 -0.06535 0.15735 -0.05460 -0.10019 17 7D-2 -0.02275 0.00395 -0.05015 0.05269 0.05698 18 8D 0 -0.05601 -0.37689 0.05857 0.50466 0.24597 19 8D+1 -0.02964 0.14358 -0.17677 -0.02241 0.13749 20 8D-1 0.08130 -0.06940 0.12243 -0.01300 -0.09400 21 8D+2 -0.10591 0.22497 -0.48134 0.17895 0.27621 22 8D-2 0.06878 -0.01730 0.15292 -0.15827 -0.15330 23 2 Cu 1S -0.00269 0.00046 -0.01106 -0.03045 0.02740 24 2S -0.01477 0.00248 -0.02814 -0.07876 0.06944 25 3S -0.36584 0.05966 0.07459 0.15903 -0.22505 26 4PX -0.00160 -0.00023 0.00987 0.03105 0.01034 27 4PY -0.01743 -0.02393 -0.00812 -0.02103 0.00440 28 4PZ -0.00144 -0.02706 0.00574 0.01985 -0.00529 29 5PX 0.12595 0.01455 -0.39488 -1.25820 -0.05852 30 5PY 0.64720 1.09192 0.57143 0.67322 -0.19939 31 5PZ 0.23515 1.20434 0.09605 -0.81609 0.19839 32 6PX 0.08928 -0.04754 0.32144 1.04764 0.23448 33 6PY -0.23588 -1.20860 -0.48671 -0.71893 0.02216 34 6PZ -0.03308 -1.28814 -0.00223 0.79433 -0.05462 35 7D 0 -0.04167 -0.22536 0.02108 0.15904 0.00605 36 7D+1 0.01477 0.10879 0.03556 -0.02189 0.04584 37 7D-1 0.00888 0.00762 0.00777 0.03911 0.15503 38 7D+2 -0.01845 -0.12429 -0.09599 -0.25134 -0.00320 39 7D-2 0.12959 0.09492 0.05084 0.01449 -0.04340 40 8D 0 0.12811 0.65327 -0.05661 -0.46699 -0.01795 41 8D+1 -0.04976 -0.33755 -0.12874 0.05914 -0.11963 42 8D-1 -0.02978 -0.02127 -0.01984 -0.10396 -0.45146 43 8D+2 0.05293 0.35947 0.28266 0.73590 0.00802 44 8D-2 -0.37745 -0.29716 -0.16423 -0.02451 0.11197 45 3 Cu 1S -0.00132 -0.00057 0.00164 -0.00299 -0.06686 46 2S -0.00242 -0.00110 0.00265 -0.00700 -0.12704 47 3S 0.02626 0.00217 -0.04439 0.01148 1.05212 48 4PX 0.00645 -0.00082 -0.00332 -0.01158 -0.00210 49 4PY 0.01909 0.00005 0.00759 -0.00588 0.00387 50 4PZ 0.01655 0.00050 0.01030 0.00027 -0.00351 51 5PX -0.19480 0.02175 -0.16438 -0.52479 0.06229 52 5PY -0.57921 -0.00059 0.34449 -0.24551 -0.09435 53 5PZ -0.50316 -0.01212 0.43895 0.01040 0.12542 54 6PX 0.15682 -0.01731 0.16139 0.53900 0.06338 55 6PY 0.45128 0.00023 -0.34398 0.25507 -0.15470 56 6PZ 0.40262 0.01015 -0.46134 -0.01034 0.10880 57 7D 0 0.24437 0.00777 -0.10743 -0.02017 -0.00580 58 7D+1 0.05232 -0.00431 0.02551 0.03053 -0.00144 59 7D-1 -0.00201 -0.00169 0.00379 -0.00329 0.00073 60 7D+2 0.21170 -0.00489 -0.02490 0.09762 -0.00484 61 7D-2 -0.02965 0.00517 0.00165 -0.04651 0.00134 62 8D 0 -0.68053 -0.02180 0.37753 0.06515 0.01832 63 8D+1 -0.14154 0.01205 -0.07871 -0.11828 0.00258 64 8D-1 0.00640 0.00439 -0.01756 0.00005 0.00009 65 8D+2 -0.59001 0.01385 0.09195 -0.33668 0.01598 66 8D-2 0.08552 -0.01401 0.00785 0.16596 -0.00288 67 4 Cu 1S -0.00796 -0.00056 0.03159 0.00768 0.02898 68 2S -0.04296 -0.00217 0.08173 0.02010 0.07499 69 3S -1.06464 -0.04826 -0.17374 -0.04043 -0.19788 70 4PX 0.00962 0.03045 -0.00433 0.00029 -0.00724 71 4PY -0.03371 0.01886 0.01670 0.00504 0.00871 72 4PZ 0.00657 0.00521 -0.04011 -0.00836 0.00612 73 5PX -0.15797 -1.36418 0.19452 -0.36777 0.16745 74 5PY 1.05132 -0.86339 -0.52360 -0.39554 -0.27235 75 5PZ 0.06335 -0.23394 1.58443 0.26618 0.07533 76 6PX 0.00569 1.45851 -0.24551 0.24094 -0.10990 77 6PY -0.37280 0.95972 0.61580 0.33519 0.10954 78 6PZ 0.37343 0.27061 -1.39143 -0.24772 0.15481 79 7D 0 -0.12022 -0.01643 0.25906 0.04556 0.02515 80 7D+1 -0.04568 -0.01588 -0.13486 -0.05986 0.01307 81 7D-1 0.21014 -0.05178 0.08112 -0.01375 0.01249 82 7D+2 -0.05592 0.26954 -0.01396 0.05028 0.06447 83 7D-2 -0.05482 -0.10827 -0.06181 -0.02492 0.15606 84 8D 0 0.33391 0.05455 -0.74998 -0.12468 -0.06235 85 8D+1 0.13323 0.06868 0.39708 0.19536 -0.03085 86 8D-1 -0.61265 0.16749 -0.25554 0.05198 -0.05010 87 8D+2 0.16196 -0.79278 0.04032 -0.16304 -0.18747 88 8D-2 0.14455 0.31379 0.17662 0.07512 -0.44682 89 5 Cu 1S -0.00222 0.00009 0.00209 -0.00076 -0.03434 90 2S -0.00676 0.00020 0.00587 -0.00133 -0.14154 91 3S 0.02321 0.00182 -0.02606 0.02615 0.73628 92 4PX 0.00302 0.00066 -0.01028 -0.03725 -0.01350 93 4PY 0.01139 -0.00013 0.02314 -0.01805 0.02818 94 4PZ 0.00867 -0.00038 0.03180 0.00049 -0.02431 95 5PX 0.05932 -0.03531 0.37294 1.26007 0.21755 96 5PY 0.15835 0.00251 -0.81697 0.62013 -0.49620 97 5PZ 0.14434 0.02057 -1.05346 -0.03407 0.37117 98 6PX -0.00376 0.01962 -0.27661 -0.91236 -0.05184 99 6PY 0.00312 -0.00254 0.59271 -0.43617 0.13292 100 6PZ -0.00066 -0.01334 0.77407 0.02056 -0.07792 101 7D 0 0.01220 0.00327 -0.21629 -0.04796 0.03626 102 7D+1 0.06505 -0.00192 0.06887 0.03372 0.14470 103 7D-1 0.00459 -0.00089 0.00610 -0.03360 -0.29240 104 7D+2 -0.00130 -0.00192 -0.04113 0.20959 -0.12208 105 7D-2 0.03829 0.00196 0.04321 -0.08390 -0.15690 106 8D 0 -0.05673 -0.00982 0.63694 0.13830 -0.10094 107 8D+1 -0.21853 0.00593 -0.19637 -0.10735 -0.40797 108 8D-1 -0.01820 0.00334 -0.02071 0.09111 0.82690 109 8D+2 -0.01067 0.00553 0.12397 -0.61338 0.34609 110 8D-2 -0.12820 -0.00671 -0.11672 0.25018 0.44397 111 6 Cu 1S -0.01209 -0.00117 0.00397 0.00082 0.08539 112 2S -0.01045 -0.00264 0.00284 -0.00046 0.16385 113 3S 0.10827 -0.00714 -0.02060 -0.01462 -0.39881 114 4PX 0.01371 0.00775 0.00153 -0.00515 0.00289 115 4PY 0.00432 0.00528 0.00050 -0.00346 -0.01111 116 4PZ 0.00371 0.00140 0.00108 -0.00028 0.02322 117 5PX 0.01954 0.53639 -0.23076 0.34718 -0.07343 118 5PY 0.15823 0.34468 0.31570 0.32994 0.20677 119 5PZ -0.08557 0.10174 -0.55987 -0.06091 -0.39113 120 6PX -0.04917 -0.59405 0.15896 -0.37175 0.04993 121 6PY -0.07614 -0.39063 -0.19534 -0.31310 -0.08636 122 6PZ 0.08251 -0.11301 0.52674 0.04384 0.08095 123 7D 0 0.04444 -0.00812 0.17371 0.03340 0.14431 124 7D+1 -0.00437 -0.00361 -0.05695 -0.01940 -0.05254 125 7D-1 0.03462 -0.02666 0.02497 -0.02570 0.02781 126 7D+2 -0.02576 0.12994 -0.01083 0.14829 0.03198 127 7D-2 0.01782 -0.05243 0.04437 -0.04894 0.05525 128 8D 0 -0.11831 0.02456 -0.54033 -0.10507 -0.40024 129 8D+1 0.02671 0.00624 0.17294 0.05582 0.14274 130 8D-1 -0.08220 0.08743 -0.06650 0.07690 -0.07040 131 8D+2 0.04290 -0.44324 0.03230 -0.44102 -0.08257 132 8D-2 -0.04438 0.17931 -0.13056 0.14652 -0.14347 133 7 Cu 1S 0.01340 0.00071 -0.02425 0.02635 0.02608 134 2S 0.06373 0.00169 -0.06146 0.06740 0.06405 135 3S 1.39986 -0.00772 0.15926 -0.14895 -0.28687 136 4PX -0.02146 -0.02937 0.00298 -0.00241 -0.00557 137 4PY 0.01220 0.00506 -0.02795 0.03049 -0.00791 138 4PZ -0.03968 0.02128 0.01023 -0.01198 -0.00625 139 5PX 0.59978 1.30510 -0.32414 -0.18391 0.12252 140 5PY -0.04569 -0.23117 1.14614 -1.16017 -0.02424 141 5PZ 1.16654 -0.94469 -0.15653 0.56238 0.17893 142 6PX -0.11998 -1.42916 0.31935 0.04697 -0.09091 143 6PY 0.52940 0.24890 -0.98781 1.02578 -0.24794 144 6PZ -0.40794 1.02940 0.26564 -0.57391 -0.07776 145 7D 0 -0.12281 0.23843 0.05949 -0.11789 -0.04759 146 7D+1 -0.10788 -0.08923 -0.03602 0.05738 -0.14908 147 7D-1 -0.22552 0.04752 -0.08360 0.04989 0.02185 148 7D+2 -0.15795 -0.14287 0.16724 -0.13693 0.02229 149 7D-2 -0.09392 0.00763 -0.08417 0.13228 -0.01096 150 8D 0 0.34212 -0.69804 -0.16314 0.35041 0.13236 151 8D+1 0.29381 0.25865 0.10316 -0.16801 0.42650 152 8D-1 0.65777 -0.15462 0.26667 -0.14668 -0.07583 153 8D+2 0.44314 0.42604 -0.49168 0.38292 -0.07429 154 8D-2 0.27626 -0.00170 0.23711 -0.40397 0.02494 155 8 Cu 1S -0.00272 -0.00016 -0.00478 -0.00763 0.08422 156 2S -0.00070 -0.00102 -0.00740 -0.01078 0.16308 157 3S 0.03206 -0.00058 0.01992 0.02376 -0.37721 158 4PX 0.00067 -0.00009 -0.00073 -0.00083 0.01805 159 4PY 0.01241 -0.00656 0.00495 -0.00072 -0.01419 160 4PZ 0.01553 -0.00712 0.00388 -0.00241 0.01245 161 5PX -0.01697 -0.02179 0.12012 0.37919 -0.27623 162 5PY 0.13141 -0.43957 -0.44645 -0.31513 0.23387 163 5PZ 0.05978 -0.47236 -0.20230 0.48694 -0.23064 164 6PX 0.02288 0.02131 -0.11492 -0.39307 0.03046 165 6PY -0.09051 0.49272 0.41494 0.20117 -0.06982 166 6PZ -0.06216 0.52529 0.24327 -0.38291 0.08477 167 7D 0 -0.03656 -0.11063 -0.09041 0.12153 -0.06914 168 7D+1 0.03623 0.04801 0.03648 -0.06731 0.04190 169 7D-1 0.00578 0.00446 -0.00683 -0.03189 0.05857 170 7D+2 0.00037 -0.05853 -0.11533 -0.12420 0.12088 171 7D-2 0.03201 0.04687 0.07361 0.04203 -0.04892 172 8D 0 0.07663 0.38007 0.26753 -0.37015 0.19108 173 8D+1 -0.07074 -0.15894 -0.10341 0.20980 -0.11736 174 8D-1 -0.01645 -0.01557 0.01739 0.08887 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-0.01493 -0.06459 39 7D-2 0.06162 -0.01863 -0.03691 -0.03959 0.03840 40 8D 0 0.05533 0.05608 -0.01076 0.12695 -0.13718 41 8D+1 0.20639 -0.06387 -0.03689 0.19962 0.10934 42 8D-1 0.06759 -0.02808 0.14220 -0.04601 -0.12971 43 8D+2 -0.09885 -0.08415 0.10110 0.05834 0.22218 44 8D-2 -0.20808 0.06959 0.12089 0.14747 -0.13052 45 3 Cu 1S -0.73392 0.32490 -0.00229 -0.00134 -1.14333 46 2S -1.55289 0.68093 -0.00398 -0.00298 -2.23398 47 3S 0.22786 -1.48339 0.01393 0.00133 3.67403 48 4PX 0.01082 -0.00213 0.00429 -0.00098 -0.00501 49 4PY -0.02149 0.00431 0.00193 0.00284 0.00994 50 4PZ 0.02042 -0.00390 -0.00048 0.00372 -0.00939 51 5PX -0.41210 0.10905 -0.22338 0.04922 -0.23957 52 5PY 0.83025 -0.22119 -0.09732 -0.15057 0.48400 53 5PZ -0.78921 0.20801 0.02138 -0.19206 -0.45961 54 6PX 0.10358 -0.11941 -0.03653 0.00810 0.09461 55 6PY -0.21987 0.24905 -0.01569 -0.02386 -0.19377 56 6PZ 0.21081 -0.22472 0.00324 -0.02665 0.19158 57 7D 0 0.01807 -0.00588 -0.01318 0.08473 0.00793 58 7D+1 0.05203 -0.01770 0.04324 0.00075 0.02407 59 7D-1 -0.10420 0.03594 0.01712 -0.00885 -0.04834 60 7D+2 -0.04169 0.01441 0.06540 0.03197 -0.01950 61 7D-2 -0.05467 0.01944 -0.04346 0.01823 -0.02535 62 8D 0 -0.05539 0.01805 0.03867 -0.26176 -0.03048 63 8D+1 -0.15872 0.05374 -0.13816 -0.00709 -0.09178 64 8D-1 0.31832 -0.10933 -0.05770 0.02874 0.18436 65 8D+2 0.12766 -0.04399 -0.19907 -0.10015 0.07428 66 8D-2 0.16673 -0.05902 0.13616 -0.06227 0.09668 67 4 Cu 1S 0.21079 -0.12962 -0.29434 1.00491 0.02945 68 2S 0.57561 -0.24697 -0.61985 2.11449 0.04270 69 3S 0.68940 1.61908 0.40246 -1.41119 -0.20628 70 4PX -0.01916 -0.00187 0.00351 -0.01441 0.00871 71 4PY 0.02265 0.00264 -0.00577 0.01712 -0.02035 72 4PZ 0.02272 -0.00045 -0.00492 0.01661 0.02819 73 5PX 0.22132 0.29475 0.05751 0.65791 -0.18181 74 5PY -0.24776 -0.50982 0.37269 -0.68740 0.43439 75 5PZ -0.25773 0.31218 0.20573 -0.53931 -0.63695 76 6PX 0.15990 0.09569 0.25986 -0.32419 0.22540 77 6PY -0.24856 -0.07064 -0.03853 0.49036 -0.59079 78 6PZ 0.03755 -0.31633 -0.08557 0.43002 0.98942 79 7D 0 -0.02357 0.03896 -0.01893 -0.00562 -0.09120 80 7D+1 -0.04432 -0.00755 -0.06971 0.01059 0.01934 81 7D-1 0.06447 -0.00494 -0.02468 -0.05907 0.01957 82 7D+2 -0.00819 0.00168 -0.00169 -0.01638 0.00913 83 7D-2 -0.04776 0.00640 0.01865 -0.01044 0.01949 84 8D 0 0.07646 -0.13234 0.06974 0.01749 0.31383 85 8D+1 0.15056 0.02131 0.25019 -0.02401 -0.06691 86 8D-1 -0.21500 0.01725 0.09465 0.19937 -0.07018 87 8D+2 0.03183 -0.01382 0.00634 0.06351 -0.03639 88 8D-2 0.17035 -0.04243 -0.07306 0.05345 -0.07819 89 5 Cu 1S 0.04981 0.27487 -0.00149 -0.00420 -0.15523 90 2S 0.20666 0.58496 -0.00389 -0.00982 -0.29847 91 3S 2.11046 -2.23185 -0.01855 -0.00784 -0.37580 92 4PX 0.01556 -0.01348 -0.02699 0.00575 -0.01850 93 4PY -0.03032 0.02661 -0.01106 -0.01779 0.03713 94 4PZ 0.02926 -0.02560 0.00158 -0.02226 -0.03494 95 5PX -0.13601 0.68787 0.94433 -0.19497 0.03023 96 5PY 0.25945 -1.36566 0.39668 0.63753 -0.07104 97 5PZ -0.25195 1.29743 -0.05233 0.76684 0.06184 98 6PX -0.10300 0.19803 0.10778 -0.02092 0.31449 99 6PY 0.20520 -0.41508 0.03981 0.06872 -0.63686 100 6PZ -0.20976 0.36189 -0.00513 0.08404 0.57404 101 7D 0 0.01226 -0.00053 -0.02257 0.04692 -0.01040 102 7D+1 0.03625 -0.01521 -0.01413 -0.03708 -0.03295 103 7D-1 -0.07426 0.02993 -0.03059 0.00613 0.06641 104 7D+2 -0.02948 0.01419 0.06019 0.00733 0.02606 105 7D-2 -0.04022 0.01571 -0.00776 -0.04044 0.03584 106 8D 0 -0.04035 0.00869 0.08334 -0.16072 0.03669 107 8D+1 -0.11715 0.07379 0.06359 0.14149 0.11515 108 8D-1 0.23945 -0.14588 0.12014 -0.02466 -0.23246 109 8D+2 0.09441 -0.06574 -0.21548 -0.02122 -0.09102 110 8D-2 0.12915 -0.07706 0.02038 0.15806 -0.12548 111 6 Cu 1S -0.50372 -0.09140 -0.16350 0.55321 0.56819 112 2S -1.08564 -0.19542 -0.34926 1.18265 1.10898 113 3S -1.07863 -0.16040 -0.02873 0.12522 -0.97151 114 4PX -0.01757 -0.00129 0.00336 0.02074 -0.00271 115 4PY 0.02243 -0.00042 0.01287 -0.02274 0.00525 116 4PZ 0.01453 0.00954 0.00468 -0.01047 -0.00457 117 5PX 0.61837 0.05519 -0.06765 -0.74806 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0.00052 0.01105 0.01155 -0.02919 138 4PZ -0.02324 -0.00272 0.01285 0.01205 0.01908 139 5PX 0.22332 0.28969 -0.26029 -0.62719 -0.17770 140 5PY 0.24104 -0.32275 -0.38523 -0.34552 0.65429 141 5PZ 0.26182 0.49603 -0.64728 -0.43791 -0.40844 142 6PX 0.16665 0.10882 0.38730 0.21549 0.20167 143 6PY -0.04925 0.30714 0.27429 0.32423 -1.01090 144 6PZ 0.23512 0.06852 0.26835 0.41023 0.52279 145 7D 0 0.01993 -0.02299 0.00352 -0.01660 0.03986 146 7D+1 0.05209 -0.00790 -0.02006 -0.00114 -0.02037 147 7D-1 0.05874 -0.00290 0.00288 0.06620 0.01399 148 7D+2 0.02302 -0.03204 0.01767 -0.00231 0.08242 149 7D-2 0.04177 0.00803 0.06674 -0.02066 -0.02267 150 8D 0 -0.06879 0.08385 -0.01235 0.06157 -0.13358 151 8D+1 -0.18541 0.04771 0.08518 0.01625 0.08154 152 8D-1 -0.19565 0.00957 0.00048 -0.22995 -0.05157 153 8D+2 -0.07307 0.10526 -0.06593 0.00637 -0.28575 154 8D-2 -0.14189 -0.02345 -0.23317 0.08630 0.07796 155 8 Cu 1S -0.50548 -0.10308 0.55790 -0.13868 0.56117 156 2S -1.08947 -0.22115 1.19366 -0.29484 1.09555 157 3S -1.07604 -0.14711 0.13980 0.01003 -0.95137 158 4PX 0.02385 0.00972 -0.02138 0.00495 -0.00236 159 4PY 0.01506 -0.00221 -0.01596 0.01143 0.00518 160 4PZ -0.01506 0.00219 0.01935 0.00364 -0.00486 161 5PX -0.92330 -0.10489 1.05907 -0.24925 0.46828 162 5PY -0.49593 -0.04948 0.46962 -0.35180 0.17162 163 5PZ 0.50401 0.04845 -0.58751 -0.10834 -0.17867 164 6PX 0.01103 0.01777 -0.45919 0.10694 -0.42844 165 6PY 0.11854 -0.08496 -0.17711 0.01566 0.32223 166 6PZ -0.11418 0.08947 0.16610 -0.07638 -0.29320 167 7D 0 -0.01618 -0.01244 -0.00023 -0.07150 0.01146 168 7D+1 -0.06747 0.01834 0.08138 0.04169 0.03059 169 7D-1 -0.04261 0.00608 0.04601 -0.00921 -0.01682 170 7D+2 0.02901 0.02070 -0.03777 -0.03009 -0.02296 171 7D-2 0.06686 -0.01986 -0.05354 0.07383 -0.03134 172 8D 0 0.05175 0.02765 -0.01352 0.21557 -0.03795 173 8D+1 0.20404 -0.05590 -0.26389 -0.13069 -0.11361 174 8D-1 0.13089 -0.01290 -0.15551 0.03231 0.04843 175 8D+2 -0.09283 -0.04534 0.13649 0.08318 0.07622 176 8D-2 -0.20190 0.05995 0.17450 -0.23520 0.11650 177 9 C 1S -0.01235 -0.02111 -0.00003 -0.00001 -0.00075 178 2S 0.29361 0.10466 0.00016 -0.00425 -0.18989 179 3S -0.74062 -3.26327 -0.01347 0.03217 -0.67791 180 4PX -0.08062 -0.11116 0.03090 -0.00623 0.01456 181 4PY 0.16120 0.22571 0.01407 0.02010 -0.02877 182 4PZ -0.14859 -0.20306 -0.00281 0.02648 0.02834 183 5PX 0.01291 -0.15062 -0.32868 0.07201 -0.27923 184 5PY -0.01817 0.30968 -0.13762 -0.21853 0.56469 185 5PZ 0.02508 -0.27684 0.02420 -0.27414 -0.52213 186 10 O 1S 0.00961 0.08099 0.00020 -0.00043 0.02122 187 2S -0.23330 -1.86362 -0.00575 0.01098 -0.65750 188 3S 0.51327 3.53575 0.01209 -0.02292 1.40210 189 4PX -0.01164 0.02003 -0.03819 0.00869 0.00899 190 4PY 0.02442 -0.04008 -0.01598 -0.02485 -0.01814 191 4PZ -0.02157 0.03676 0.00348 -0.03291 0.01526 192 5PX -0.05321 -0.41452 0.14710 -0.03136 -0.12569 193 5PY 0.10415 0.83430 0.06490 0.09301 0.25327 194 5PZ -0.09782 -0.76298 -0.01535 0.13064 -0.22682 191 192 193 194 V V V V EIGENVALUES -- 2.30651 2.31141 3.66680 11.93074 1 1 Cu 1S 0.10449 -1.24697 -0.11925 -0.39781 2 2S 0.19607 -2.34428 -0.19218 -0.61895 3 3S -0.30854 3.47667 -2.27486 -4.29900 4 4PX 0.00683 0.02060 -0.00482 0.00557 5 4PY -0.00365 0.02344 0.00541 -0.00075 6 4PZ -0.00806 0.02136 -0.00795 0.00783 7 5PX -0.09337 0.23906 0.22858 0.52969 8 5PY 0.00447 0.16115 -0.21392 0.77502 9 5PZ 0.02859 0.30651 0.37191 0.54323 10 6PX 0.30936 -0.12515 0.42694 0.32817 11 6PY -0.10444 0.59771 0.02336 1.04068 12 6PZ -0.17940 -0.37051 0.57927 0.21382 13 7D 0 -0.04213 -0.00664 -0.01859 0.00424 14 7D+1 0.01842 0.01378 -0.00759 0.00341 15 7D-1 0.01017 0.00541 -0.00650 0.01325 16 7D+2 0.01684 -0.00947 -0.02782 0.00953 17 7D-2 -0.02777 0.00662 0.00435 0.00698 18 8D 0 0.15147 0.01428 0.06882 -0.02101 19 8D+1 -0.06322 -0.07340 0.02931 -0.03262 20 8D-1 -0.03197 -0.03222 0.03936 -0.09613 21 8D+2 -0.06124 0.02842 0.10779 -0.04858 22 8D-2 0.09588 -0.03494 -0.00617 -0.05897 23 2 Cu 1S -0.57452 -0.39573 -1.03654 -1.29142 24 2S -1.09503 -0.75464 -1.74143 -2.04997 25 3S 1.66564 1.12444 6.16863 2.73986 26 4PX 0.00294 0.00091 0.06312 0.04050 27 4PY 0.02875 -0.02076 0.01015 0.04753 28 4PZ 0.01060 -0.03493 -0.01113 -0.04704 29 5PX 0.34441 0.25809 -0.55159 0.07201 30 5PY -0.30128 0.52854 -0.60297 0.59636 31 5PZ -0.40193 0.46610 0.59525 -0.57435 32 6PX -1.05096 -0.75969 -0.76597 -0.43016 33 6PY 0.90659 -1.13104 -0.74862 -0.50101 34 6PZ 0.81401 -1.25144 0.74103 0.52919 35 7D 0 0.03223 -0.08545 0.00621 -0.00103 36 7D+1 -0.01917 0.00562 -0.00517 -0.00537 37 7D-1 -0.01083 -0.00394 0.00448 -0.01701 38 7D+2 0.06096 -0.01983 -0.00980 0.00061 39 7D-2 -0.00201 0.02033 0.00616 0.00497 40 8D 0 -0.11326 0.30695 -0.01479 -0.00141 41 8D+1 0.07235 -0.01484 0.01680 0.05789 42 8D-1 0.03406 0.01162 -0.04898 0.14612 43 8D+2 -0.22200 0.06845 0.01994 0.01102 44 8D-2 0.00135 -0.07454 -0.02066 -0.05594 45 3 Cu 1S -0.00095 -0.00216 -0.60690 -0.15504 46 2S -0.00224 -0.00419 -1.03502 -0.22287 47 3S -0.01438 0.01968 -3.09044 -2.05900 48 4PX 0.00785 0.00565 -0.00732 0.00121 49 4PY -0.00218 0.00730 0.01462 -0.00238 50 4PZ -0.00623 0.00459 -0.01380 0.00233 51 5PX -0.09628 -0.07101 -0.23952 -0.11590 52 5PY 0.02850 -0.08892 0.47503 0.22852 53 5PZ 0.07088 -0.05615 -0.44851 -0.22160 54 6PX 0.42442 0.31362 -0.40247 -0.29606 55 6PY -0.11179 0.39516 0.80190 0.57995 56 6PZ -0.34308 0.25072 -0.76516 -0.54367 57 7D 0 0.03227 -0.01180 -0.00073 -0.00245 58 7D+1 -0.01195 0.01231 -0.00303 -0.00730 59 7D-1 0.00857 0.00747 0.00609 0.01456 60 7D+2 -0.01782 -0.03048 0.00266 0.00573 61 7D-2 -0.00535 0.01681 0.00317 0.00778 62 8D 0 -0.11522 0.04269 -0.00108 0.01227 63 8D+1 0.04264 -0.04256 -0.00016 0.03688 64 8D-1 -0.02956 -0.02622 0.00011 -0.07350 65 8D+2 0.06314 0.10884 -0.00101 -0.02895 66 8D-2 0.01784 -0.05964 0.00034 -0.03922 67 4 Cu 1S 0.63668 -0.29400 -1.03088 -1.29757 68 2S 1.21465 -0.56073 -1.73163 -2.05935 69 3S -1.81046 0.82949 6.15170 2.76580 70 4PX -0.00907 -0.03952 -0.02639 -0.04476 71 4PY -0.02372 -0.01817 0.02568 0.06299 72 4PZ -0.00002 -0.00763 0.05334 0.01425 73 5PX 0.45969 0.56198 0.57672 -0.41984 74 5PY 0.05176 0.50334 -0.80287 0.68715 75 5PZ -0.29203 0.26900 -0.21536 -0.23192 76 6PX -1.04847 -1.39621 0.73687 0.50146 77 6PY -0.31127 -1.11431 -1.00133 -0.69352 78 6PZ 1.00068 -0.79158 -0.35010 -0.12132 79 7D 0 -0.02654 0.00828 -0.01434 -0.00159 80 7D+1 0.01633 -0.02898 0.00290 -0.00200 81 7D-1 -0.01808 0.01367 0.00311 -0.00119 82 7D+2 -0.03741 -0.08669 0.00109 -0.00693 83 7D-2 0.03579 0.02810 0.00219 -0.01687 84 8D 0 0.09439 -0.02855 0.03980 0.03955 85 8D+1 -0.06280 0.10806 -0.00117 0.01402 86 8D-1 0.07366 -0.05134 -0.02773 0.00425 87 8D+2 0.13511 0.30844 -0.01775 0.06092 88 8D-2 -0.12739 -0.10028 -0.03443 0.14964 89 5 Cu 1S -0.00470 0.00562 1.14840 -3.44908 90 2S -0.00868 0.01106 1.94340 -5.52360 91 3S 0.01699 -0.01101 -5.52476 11.92800 92 4PX -0.03967 -0.02888 0.01084 0.03045 93 4PY 0.01078 -0.03780 -0.02206 -0.06009 94 4PZ 0.03146 -0.02286 0.02015 0.05743 95 5PX 0.72483 0.52388 1.32654 -2.55566 96 5PY -0.20541 0.71997 -2.63152 5.09803 97 5PZ -0.55762 0.40063 2.47394 -4.75542 98 6PX 0.03191 0.03215 -0.22350 0.16256 99 6PY -0.00565 0.03556 0.45180 -0.38034 100 6PZ -0.03138 0.03006 -0.37188 0.23104 101 7D 0 -0.04846 0.01640 -0.00088 0.00967 102 7D+1 0.01810 -0.02470 -0.00501 0.03266 103 7D-1 -0.01735 -0.01384 0.01036 -0.06546 104 7D+2 0.02942 0.04792 0.00469 -0.02645 105 7D-2 0.01390 -0.02811 0.00558 -0.03541 106 8D 0 0.17186 -0.05764 0.01508 -0.07392 107 8D+1 -0.06366 0.08991 0.06104 -0.24878 108 8D-1 0.06232 0.05137 -0.12356 0.49791 109 8D+2 -0.10549 -0.17002 -0.05222 0.20090 110 8D-2 -0.05201 0.10140 -0.06673 0.26897 111 6 Cu 1S -1.12646 0.53302 -0.12874 -0.38242 112 2S -2.11610 1.00234 -0.20662 -0.59616 113 3S 3.18223 -1.46419 -2.24228 -4.30936 114 4PX 0.02091 0.00013 -0.00436 0.00502 115 4PY -0.01723 0.01448 0.00811 -0.00802 116 4PZ -0.02216 0.01179 -0.00562 0.00158 117 5PX 0.16212 -0.17430 0.22754 0.48433 118 5PY -0.28484 0.08269 -0.38910 -0.51765 119 5PZ -0.14505 0.06283 0.19845 -0.80385 120 6PX -0.00122 0.32979 0.40936 0.29362 121 6PY 0.43107 0.02345 -0.60075 -0.13771 122 6PZ -0.50966 0.29744 -0.06033 -1.08122 123 7D 0 0.01243 0.00159 0.03211 -0.00860 124 7D+1 0.00445 0.02682 -0.00264 -0.00709 125 7D-1 0.00657 0.00647 -0.00877 0.01401 126 7D+2 0.01567 0.04109 0.00230 0.00123 127 7D-2 -0.01888 -0.01567 0.00752 -0.00305 128 8D 0 -0.03625 -0.00811 -0.12108 0.04141 129 8D+1 -0.00394 -0.09674 0.00028 0.05856 130 8D-1 -0.03519 -0.01438 0.04802 -0.10086 131 8D+2 -0.04999 -0.15061 -0.00599 -0.00649 132 8D-2 0.08798 0.04565 -0.02819 0.02875 133 7 Cu 1S -0.05975 0.68930 -1.04227 -1.28121 134 2S -0.11392 1.31233 -1.74983 -2.03526 135 3S 0.17333 -2.02557 6.20254 2.70933 136 4PX -0.03918 0.00583 -0.02922 -0.04593 137 4PY 0.00711 -0.00310 -0.05111 -0.01033 138 4PZ 0.02655 0.01590 -0.02787 -0.06156 139 5PX 0.66202 0.23186 0.60699 -0.43196 140 5PY -0.15242 0.35407 0.16795 0.25350 141 5PZ -0.49935 0.11282 0.80220 -0.66111 142 6PX -1.61985 -0.52625 0.77805 0.49039 143 6PY 0.40128 -1.18455 0.28068 0.09927 144 6PZ 1.20359 -0.13794 1.01388 0.67696 145 7D 0 0.08364 0.01783 0.00603 0.00627 146 7D+1 -0.03323 -0.02453 -0.00292 0.01772 147 7D-1 0.00357 -0.02273 0.00207 -0.00157 148 7D+2 -0.04547 0.01886 0.01215 -0.00111 149 7D-2 0.02566 -0.02591 -0.00322 0.00150 150 8D 0 -0.29782 -0.06445 -0.00614 -0.06659 151 8D+1 0.11901 0.08709 0.03672 -0.15458 152 8D-1 -0.01222 0.09078 -0.02529 0.01089 153 8D+2 0.16108 -0.06523 -0.04081 -0.01011 154 8D-2 -0.09402 0.09849 0.00067 -0.00810 155 8 Cu 1S 1.02237 0.71596 -0.12261 -0.39121 156 2S 1.92085 1.34637 -0.19705 -0.60938 157 3S -2.89253 -1.96913 -2.26261 -4.30618 158 4PX 0.02779 0.01906 -0.00161 -0.00256 159 4PY 0.00593 0.01320 0.00776 -0.00668 160 4PZ -0.01492 -0.00088 -0.00723 0.00631 161 5PX 0.22934 0.17568 0.02818 -1.01454 162 5PY 0.20471 0.06186 -0.35204 -0.25909 163 5PZ -0.12460 -0.17611 0.33955 0.26980 164 6PX 0.33438 0.24345 -0.31308 -1.11536 165 6PY -0.50379 -0.03189 -0.46972 0.10192 166 6PZ 0.17108 0.43780 0.45039 -0.04453 167 7D 0 -0.02144 0.04432 -0.01190 -0.00045 168 7D+1 -0.00161 0.00669 0.01743 -0.01223 169 7D-1 0.00922 0.00357 0.00125 0.00424 170 7D+2 -0.02678 0.01553 0.01966 0.00200 171 7D-2 -0.00409 0.00351 -0.01918 0.01299 172 8D 0 0.07285 -0.15948 0.04018 0.01460 173 8D+1 -0.01187 -0.03139 -0.07488 0.08373 174 8D-1 -0.04543 -0.02183 0.00237 -0.02194 175 8D+2 0.09979 -0.05150 -0.06505 -0.03255 176 8D-2 0.02802 0.00111 0.08195 -0.08781 177 9 C 1S 0.00014 -0.00019 0.01827 -0.04734 178 2S 0.00750 -0.01076 0.51106 -0.87726 179 3S -0.04678 0.06753 -1.49669 4.07746 180 4PX 0.05263 0.04104 0.01196 -0.05688 181 4PY -0.01214 0.04743 -0.02383 0.11307 182 4PZ -0.04487 0.03430 0.02192 -0.10633 183 5PX -0.48987 -0.36259 0.94725 -1.53374 184 5PY 0.12889 -0.45803 -1.89934 3.06880 185 5PZ 0.39639 -0.29302 1.75579 -2.84097 186 10 O 1S 0.00041 -0.00053 -0.00277 -0.01166 187 2S -0.01429 0.01902 0.64179 -0.50649 188 3S 0.03361 -0.04522 -1.82995 1.84692 189 4PX -0.07745 -0.05724 0.03732 -0.07011 190 4PY 0.02017 -0.07205 -0.07361 0.13905 191 4PZ 0.06294 -0.04632 0.07083 -0.13079 192 5PX 0.27674 0.21157 -0.02727 0.18258 193 5PY -0.06649 0.25167 0.04778 -0.35565 194 5PZ -0.23350 0.17594 -0.05864 0.34535 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 2.01143 2 2S 0.01752 0.38666 3 3S 0.01023 0.23292 0.40060 4 4PX 0.00356 0.02493 -0.04619 1.99191 5 4PY 0.00367 0.02150 -0.04716 0.00025 1.99109 6 4PZ 0.00406 0.02940 -0.05268 0.00050 0.00045 7 5PX -0.00242 -0.03409 -0.06965 0.04065 0.00512 8 5PY -0.00230 -0.02436 -0.05276 0.00423 0.04220 9 5PZ -0.00280 -0.04150 -0.08392 0.00452 0.00577 10 6PX -0.00099 0.01008 -0.01426 -0.00642 0.00610 11 6PY -0.00023 -0.01309 -0.02565 0.00412 -0.00770 12 6PZ -0.00133 0.01726 -0.01363 0.00611 0.00757 13 7D 0 -0.00034 -0.00558 -0.03308 -0.00198 -0.00082 14 7D+1 -0.00061 -0.01781 -0.13544 0.00021 0.00085 15 7D-1 -0.00162 -0.01986 -0.11463 0.00055 -0.00075 16 7D+2 -0.00075 -0.00530 -0.01183 0.00090 -0.00284 17 7D-2 -0.00101 -0.01519 -0.09819 -0.00233 0.00103 18 8D 0 -0.00015 0.00040 -0.00986 -0.00041 -0.00002 19 8D+1 -0.00013 -0.00020 -0.04183 -0.00068 0.00017 20 8D-1 -0.00055 -0.00268 -0.03611 0.00036 -0.00146 21 8D+2 -0.00036 -0.00018 -0.00332 -0.00004 -0.00067 22 8D-2 -0.00029 -0.00196 -0.03097 -0.00191 -0.00044 23 2 Cu 1S -0.00226 -0.00576 -0.00997 0.00079 0.00096 24 2S -0.00665 0.14479 0.08093 0.00574 0.00772 25 3S -0.00548 -0.09710 -0.18099 -0.00739 0.01920 26 4PX 0.00036 -0.00749 0.00231 0.00035 -0.00076 27 4PY -0.00044 -0.00610 0.00363 -0.00104 0.00132 28 4PZ -0.00415 -0.04886 -0.03169 -0.00193 -0.00144 29 5PX 0.00108 0.03363 0.02720 -0.00116 0.00507 30 5PY 0.00086 0.02327 0.00131 0.00486 -0.01050 31 5PZ -0.00273 0.08332 -0.00704 0.00774 0.01033 32 6PX -0.00173 0.02498 -0.00309 0.00163 0.00939 33 6PY -0.00122 0.01576 0.00035 0.00862 -0.00705 34 6PZ -0.00236 -0.01589 -0.05008 -0.01318 0.00101 35 7D 0 -0.00131 0.02239 0.17874 0.00534 0.01073 36 7D+1 0.00483 0.05496 0.15294 -0.01632 0.00317 37 7D-1 0.00332 0.03834 0.11996 0.00285 -0.01633 38 7D+2 -0.00093 0.00254 -0.02886 -0.00496 0.00529 39 7D-2 -0.00052 0.01214 0.01446 -0.00423 -0.00296 40 8D 0 0.00024 0.00580 0.06010 0.00242 0.00318 41 8D+1 0.00169 0.01788 0.05197 -0.00577 0.00093 42 8D-1 0.00137 0.01375 0.04183 0.00083 -0.00626 43 8D+2 -0.00026 0.00185 -0.00933 -0.00208 0.00146 44 8D-2 -0.00013 0.00606 0.00655 -0.00154 -0.00098 45 3 Cu 1S 0.00096 -0.00054 -0.00201 -0.00164 0.00016 46 2S -0.00048 -0.07761 -0.02381 0.00008 -0.01015 47 3S -0.00126 0.01904 0.03913 -0.00624 0.01192 48 4PX 0.00151 -0.00459 0.01011 0.00028 -0.00023 49 4PY -0.00050 -0.00788 0.00543 0.00015 -0.00017 50 4PZ 0.00222 -0.00444 0.01271 -0.00116 -0.00001 51 5PX 0.00020 0.02002 0.00881 -0.00107 0.00263 52 5PY -0.00001 0.01012 -0.01002 -0.00014 -0.00246 53 5PZ 0.00027 0.02535 0.01479 -0.00225 0.00442 54 6PX 0.00055 0.01319 0.02178 -0.01235 0.00760 55 6PY 0.00076 -0.01855 -0.01237 0.00112 0.00324 56 6PZ 0.00057 0.02273 0.03310 0.00413 0.00596 57 7D 0 -0.00260 -0.02704 -0.06536 0.00031 -0.00143 58 7D+1 -0.00509 -0.02496 -0.21798 0.00312 -0.00132 59 7D-1 0.00046 0.01355 -0.02682 0.00183 -0.00104 60 7D+2 -0.00097 -0.02402 0.01645 0.00094 -0.00219 61 7D-2 0.00002 0.01552 -0.05465 -0.00330 0.00068 62 8D 0 -0.00075 -0.00976 -0.02271 -0.00069 -0.00032 63 8D+1 -0.00149 -0.00985 -0.07428 0.00070 -0.00086 64 8D-1 0.00007 0.00639 -0.00741 0.00073 -0.00017 65 8D+2 -0.00030 -0.00760 0.00552 0.00059 -0.00038 66 8D-2 -0.00003 0.00621 -0.01731 -0.00105 0.00016 67 4 Cu 1S -0.00226 -0.00575 -0.01000 0.00096 0.00092 68 2S -0.00665 0.14475 0.08123 0.01882 0.00540 69 3S -0.00550 -0.09715 -0.18097 0.06855 0.00578 70 4PX -0.00406 -0.04459 -0.02931 0.00177 -0.00151 71 4PY 0.00034 0.00049 0.00933 0.00178 0.00091 72 4PZ -0.00098 -0.02225 -0.00908 0.00153 -0.00170 73 5PX -0.00267 0.07291 -0.01418 0.00451 0.00646 74 5PY 0.00152 0.01624 0.00849 -0.00725 -0.00879 75 5PZ -0.00005 0.05518 0.02277 -0.00053 0.01009 76 6PX -0.00196 -0.01834 -0.04546 0.02405 -0.00958 77 6PY -0.00116 0.02380 0.00833 -0.01015 -0.00115 78 6PZ -0.00221 0.01488 -0.02005 0.00678 0.00830 79 7D 0 0.00217 0.01695 -0.01401 -0.00290 0.00244 80 7D+1 0.00282 0.05363 0.21397 0.02431 0.00138 81 7D-1 0.00011 0.01829 0.01421 0.00198 -0.00850 82 7D+2 -0.00112 0.01522 0.12043 0.02140 0.00177 83 7D-2 0.00482 0.03761 0.09947 -0.00022 -0.01690 84 8D 0 0.00054 0.00607 -0.00473 0.00180 0.00013 85 8D+1 0.00134 0.01687 0.07260 0.00360 0.00111 86 8D-1 0.00011 0.00871 0.00683 0.00065 -0.00323 87 8D+2 0.00020 0.00420 0.04060 0.00082 0.00107 88 8D-2 0.00165 0.01293 0.03436 0.00048 -0.00631 89 5 Cu 1S -0.00194 -0.00405 -0.00970 0.00089 -0.00064 90 2S -0.00500 0.12205 0.10073 0.00876 0.01375 91 3S -0.00750 -0.04095 -0.11837 0.02360 0.07500 92 4PX -0.00142 -0.01485 -0.01187 0.00169 0.00115 93 4PY -0.00405 -0.05334 -0.02740 -0.00167 0.00175 94 4PZ -0.00095 -0.00752 -0.00958 -0.00053 0.00176 95 5PX -0.00022 0.03475 -0.00354 -0.00552 -0.00144 96 5PY -0.00269 0.12564 0.00687 0.00786 -0.00101 97 5PZ 0.00038 0.01750 -0.00615 0.00775 -0.00482 98 6PX -0.00033 -0.02508 -0.03061 -0.00416 -0.00015 99 6PY 0.00026 -0.03312 -0.02855 0.00099 0.01402 100 6PZ -0.00048 -0.02583 -0.03424 0.00471 -0.00577 101 7D 0 0.00097 -0.00766 -0.03474 -0.00116 -0.00898 102 7D+1 0.00054 0.02139 0.07673 -0.00184 0.00708 103 7D-1 0.00215 0.01609 0.09820 0.00571 0.01494 104 7D+2 0.00202 -0.01994 -0.06804 -0.01570 -0.01063 105 7D-2 0.00091 0.02184 0.10752 -0.00535 0.01864 106 8D 0 0.00019 -0.00002 -0.01006 0.00064 0.00018 107 8D+1 0.00025 0.01000 0.02767 -0.00079 0.00134 108 8D-1 0.00107 0.00527 0.03171 0.00091 0.00227 109 8D+2 0.00054 -0.00422 -0.02181 -0.00424 0.00137 110 8D-2 0.00063 0.00672 0.03502 -0.00294 0.00226 111 6 Cu 1S 0.00101 -0.00054 0.00035 0.00001 -0.00201 112 2S -0.00055 -0.04333 0.03035 -0.00912 0.00469 113 3S 0.00040 0.03184 0.04647 0.00267 -0.02510 114 4PX 0.00012 -0.00935 0.00363 -0.00009 0.00011 115 4PY 0.00190 -0.00418 0.00941 -0.00008 -0.00019 116 4PZ 0.00208 -0.00465 0.02522 -0.00013 -0.00081 117 5PX 0.00009 0.02030 -0.00265 -0.00067 0.00199 118 5PY 0.00030 0.02107 0.01674 0.00239 -0.00420 119 5PZ 0.00062 0.02344 0.01244 0.00089 -0.00736 120 6PX 0.00083 -0.00820 0.00771 0.00270 -0.00449 121 6PY 0.00023 0.01989 0.01670 0.00155 -0.00996 122 6PZ 0.00124 0.01267 0.02645 0.00739 -0.00312 123 7D 0 -0.00121 -0.01130 -0.04307 0.00006 -0.00041 124 7D+1 -0.00214 0.00410 -0.13245 0.00043 0.00201 125 7D-1 -0.00596 -0.03746 -0.18564 -0.00080 0.00275 126 7D+2 0.00148 0.03267 -0.00532 0.00032 -0.00323 127 7D-2 -0.00016 -0.00505 -0.03334 -0.00142 -0.00097 128 8D 0 -0.00033 -0.00357 -0.01476 -0.00007 -0.00117 129 8D+1 -0.00070 0.00203 -0.04420 0.00011 0.00102 130 8D-1 -0.00188 -0.01407 -0.06267 -0.00060 0.00089 131 8D+2 0.00039 0.01158 -0.00144 -0.00002 -0.00102 132 8D-2 -0.00002 -0.00050 -0.01153 -0.00017 -0.00038 133 7 Cu 1S 0.00081 -0.00231 -0.00604 -0.00242 -0.00150 134 2S -0.00184 -0.12260 0.00646 -0.00211 -0.00266 135 3S 0.00354 -0.06616 -0.02186 -0.01259 -0.01156 136 4PX 0.00071 -0.00694 0.00800 0.00121 -0.00107 137 4PY 0.00088 -0.00256 0.01207 -0.00105 0.00142 138 4PZ 0.00076 -0.00903 0.00809 -0.00200 -0.00114 139 5PX 0.00017 0.00700 0.01379 -0.00519 -0.00071 140 5PY 0.00031 0.00171 -0.00010 -0.00125 -0.00652 141 5PZ 0.00016 0.00929 0.01923 0.00027 -0.00066 142 6PX 0.00063 0.01032 0.00653 0.00761 -0.00547 143 6PY -0.00028 0.02232 0.00806 -0.00474 0.01100 144 6PZ 0.00094 0.00862 0.00671 -0.00737 -0.00685 145 7D 0 -0.00139 -0.01206 -0.00724 -0.00175 0.00006 146 7D+1 -0.00450 -0.03101 -0.04065 0.00278 0.00061 147 7D-1 -0.00436 -0.03595 -0.07374 0.00038 0.00189 148 7D+2 -0.00106 -0.01340 -0.01326 0.00136 -0.00063 149 7D-2 -0.00344 -0.02586 -0.05520 0.00112 0.00154 150 8D 0 -0.00047 -0.00473 -0.00314 -0.00111 -0.00029 151 8D+1 -0.00148 -0.01315 -0.01652 0.00077 -0.00037 152 8D-1 -0.00139 -0.01450 -0.02664 -0.00061 0.00084 153 8D+2 -0.00036 -0.00478 -0.00452 0.00096 -0.00056 154 8D-2 -0.00110 -0.01074 -0.02028 0.00026 0.00061 155 8 Cu 1S 0.00100 -0.00054 0.00038 -0.00231 -0.00159 156 2S -0.00055 -0.04328 0.03088 0.00803 0.00169 157 3S 0.00040 0.03182 0.04633 -0.01612 -0.02181 158 4PX 0.00232 -0.00256 0.02459 -0.00071 -0.00072 159 4PY 0.00151 -0.00537 0.00559 -0.00119 0.00017 160 4PZ 0.00049 -0.00955 0.01033 0.00016 -0.00019 161 5PX 0.00061 0.02069 0.01615 -0.00516 -0.00720 162 5PY 0.00021 0.02095 0.01349 -0.00291 -0.00151 163 5PZ 0.00024 0.02321 -0.00113 -0.00061 0.00007 164 6PX 0.00096 0.01854 0.02585 -0.01216 -0.00056 165 6PY 0.00021 0.01537 0.01365 0.00053 -0.01003 166 6PZ 0.00113 -0.00686 0.01293 -0.00526 -0.00174 167 7D 0 0.00092 0.03449 -0.03444 -0.00303 -0.00043 168 7D+1 -0.00221 -0.00903 -0.11725 0.00106 0.00142 169 7D-1 -0.00138 -0.00445 -0.08063 0.00280 -0.00192 170 7D+2 -0.00185 -0.00680 -0.06069 0.00192 -0.00123 171 7D-2 -0.00572 -0.03611 -0.17246 0.00189 0.00374 172 8D 0 0.00020 0.01213 -0.01094 -0.00066 0.00037 173 8D+1 -0.00066 -0.00213 -0.03948 0.00016 0.00021 174 8D-1 -0.00044 -0.00085 -0.02734 0.00075 -0.00056 175 8D+2 -0.00059 -0.00292 -0.02053 0.00077 -0.00129 176 8D-2 -0.00180 -0.01373 -0.05805 0.00015 0.00160 177 9 C 1S -0.00116 0.00973 -0.02193 0.00087 -0.00022 178 2S 0.00240 -0.02733 0.03404 -0.00102 0.00138 179 3S 0.00457 -0.02832 0.01511 -0.00944 -0.01149 180 4PX 0.00007 0.04213 0.01575 -0.00096 0.00012 181 4PY 0.00026 0.02551 -0.01310 -0.00044 0.00108 182 4PZ 0.00004 0.05141 0.02416 0.00368 -0.00097 183 5PX -0.00048 0.01630 0.00518 -0.00027 0.00233 184 5PY -0.00054 0.01323 0.00676 -0.00056 0.00841 185 5PZ -0.00052 0.01927 0.00543 0.00086 0.00088 186 10 O 1S -0.00072 -0.00301 0.01252 -0.00012 0.00017 187 2S 0.00157 0.00953 -0.02447 0.00004 -0.00139 188 3S -0.00053 0.00224 -0.04752 0.00178 0.00473 189 4PX -0.00057 -0.03586 -0.03975 0.00112 0.00123 190 4PY 0.00076 -0.03099 0.02776 -0.00022 0.00042 191 4PZ -0.00095 -0.04148 -0.06116 -0.00266 0.00236 192 5PX 0.00046 -0.02097 -0.01338 0.00076 -0.00202 193 5PY 0.00005 -0.02480 -0.00106 0.00072 -0.00201 194 5PZ 0.00061 -0.02280 -0.01817 -0.00206 -0.00167 6 7 8 9 10 6 4PZ 1.99209 7 5PX 0.00431 0.03268 8 5PY 0.00453 0.00690 0.02844 9 5PZ 0.04152 0.01192 0.00822 0.03745 10 6PX 0.00558 0.00254 0.00160 0.00347 0.02411 11 6PY 0.00482 0.00132 0.00019 0.00175 -0.00281 12 6PZ -0.00492 0.00354 0.00214 0.00416 -0.00267 13 7D 0 0.00174 -0.03466 -0.03403 0.07280 0.01889 14 7D+1 -0.00204 0.06006 -0.00551 0.04709 0.04529 15 7D-1 -0.00104 0.00031 0.05373 0.03660 -0.01321 16 7D+2 0.00077 0.04891 -0.05799 0.00088 0.02154 17 7D-2 0.00043 0.03426 0.05249 0.00131 0.06750 18 8D 0 0.00012 -0.01161 -0.01128 0.02363 0.00641 19 8D+1 -0.00161 0.01901 -0.00219 0.01451 0.01579 20 8D-1 -0.00107 -0.00014 0.01709 0.01146 -0.00418 21 8D+2 0.00071 0.01593 -0.01916 0.00030 0.00728 22 8D-2 0.00025 0.01065 0.01688 0.00015 0.02298 23 2 Cu 1S 0.00104 0.00059 0.00005 0.00330 0.00204 24 2S 0.02018 -0.00227 -0.00846 -0.04073 -0.00281 25 3S 0.06670 0.01565 0.00323 0.04361 0.01216 26 4PX 0.00171 -0.00334 0.00311 -0.00731 0.01052 27 4PY 0.00135 0.00434 -0.00634 -0.00408 -0.00238 28 4PZ 0.00175 0.00012 0.00064 0.00681 0.01585 29 5PX -0.00533 0.00076 -0.00242 0.00432 -0.00058 30 5PY -0.00217 -0.00474 0.00734 0.00508 -0.00034 31 5PZ 0.00547 -0.00246 -0.00233 0.01777 0.00491 32 6PX -0.00504 0.01044 0.00091 -0.00193 -0.02007 33 6PY -0.00136 -0.00159 0.00930 0.00300 0.00854 34 6PZ 0.02388 0.01124 0.00797 0.02016 -0.02170 35 7D 0 0.03065 -0.03145 -0.04508 -0.12042 0.02811 36 7D+1 0.00684 0.03538 -0.00899 -0.04791 -0.04963 37 7D-1 0.01228 -0.00952 0.02633 -0.05288 -0.00823 38 7D+2 0.00000 0.03230 -0.03026 0.01092 -0.02782 39 7D-2 0.00232 0.01177 0.02215 -0.00276 0.00206 40 8D 0 0.00184 -0.01075 -0.01490 -0.03985 0.00910 41 8D+1 0.00183 0.01094 -0.00284 -0.01576 -0.01713 42 8D-1 0.00234 -0.00328 0.00788 -0.01772 -0.00217 43 8D+2 -0.00001 0.01098 -0.01039 0.00353 -0.00906 44 8D-2 0.00048 0.00363 0.00732 -0.00124 0.00119 45 3 Cu 1S -0.00232 -0.00001 0.00055 -0.00015 -0.00036 46 2S 0.00263 -0.01062 0.02293 -0.02040 -0.01012 47 3S -0.01156 -0.01323 0.00229 -0.01902 -0.01679 48 4PX -0.00107 -0.00174 0.00062 -0.00328 -0.01456 49 4PY 0.00052 -0.00196 -0.00114 -0.00231 -0.00081 50 4PZ -0.00053 -0.00266 0.00126 -0.00348 0.00225 51 5PX -0.00293 0.00596 -0.00044 -0.00382 -0.00148 52 5PY 0.00056 0.00174 0.00492 0.00337 0.00462 53 5PZ -0.00362 -0.00435 0.00030 0.00262 -0.00280 54 6PX 0.00255 -0.00355 -0.00345 -0.00427 -0.01055 55 6PY -0.00305 0.00292 -0.00048 0.00422 0.00124 56 6PZ -0.01124 -0.00581 -0.00461 -0.00680 0.00471 57 7D 0 0.00361 -0.00165 -0.00578 0.00387 0.05145 58 7D+1 0.00274 0.02825 -0.00739 0.03908 -0.00948 59 7D-1 -0.00144 0.00510 0.00390 0.00586 0.01553 60 7D+2 0.00249 -0.01288 -0.00448 -0.01902 -0.03626 61 7D-2 0.00177 0.01153 0.00374 0.01689 0.01030 62 8D 0 0.00120 -0.00036 -0.00168 0.00141 0.01714 63 8D+1 0.00011 0.00987 -0.00180 0.01342 -0.00330 64 8D-1 -0.00017 0.00185 0.00092 0.00161 0.00524 65 8D+2 0.00046 -0.00453 -0.00159 -0.00628 -0.01194 66 8D-2 0.00078 0.00342 0.00121 0.00589 0.00368 67 4 Cu 1S 0.00092 0.00290 -0.00034 0.00164 0.00143 68 2S 0.01078 -0.03908 -0.00201 -0.01432 0.00601 69 3S 0.01222 0.03664 -0.00039 0.02860 0.04089 70 4PX -0.00137 0.00598 -0.00245 0.00474 -0.01054 71 4PY -0.00031 -0.00847 -0.00341 0.00181 -0.00380 72 4PZ 0.00075 -0.00151 0.00376 -0.00545 -0.01362 73 5PX 0.00915 0.01633 -0.00330 0.00210 0.00994 74 5PY 0.00324 0.00548 0.00520 -0.00384 -0.00182 75 5PZ -0.00189 0.00729 -0.00543 0.00434 -0.00207 76 6PX -0.00168 0.01867 0.00723 0.01164 0.01507 77 6PY 0.00871 0.00122 0.00736 -0.00257 -0.00356 78 6PZ -0.00454 0.00067 0.00433 0.01390 0.01860 79 7D 0 -0.01579 0.00687 -0.01223 0.05966 0.02442 80 7D+1 -0.00322 -0.09962 -0.00138 -0.02406 -0.01865 81 7D-1 -0.00128 -0.00198 0.02559 0.01353 0.01279 82 7D+2 0.01460 -0.08582 -0.02963 -0.04480 -0.00883 83 7D-2 0.00319 -0.01735 0.03835 -0.01760 -0.00181 84 8D 0 -0.00493 0.00234 -0.00419 0.01979 0.00791 85 8D+1 -0.00248 -0.03263 -0.00041 -0.00882 -0.00631 86 8D-1 -0.00070 -0.00110 0.00809 0.00436 0.00369 87 8D+2 0.00313 -0.02858 -0.01025 -0.01468 -0.00279 88 8D-2 0.00118 -0.00586 0.01210 -0.00598 -0.00114 89 5 Cu 1S 0.00138 0.00149 0.00443 0.00098 -0.00013 90 2S 0.00875 -0.01338 -0.03517 -0.00984 -0.00965 91 3S 0.01433 0.01146 0.04004 0.00607 0.00812 92 4PX -0.00123 -0.00654 0.00286 0.00394 0.00812 93 4PY -0.00218 0.00386 0.00563 0.00157 0.00045 94 4PZ 0.00119 0.00369 0.00004 -0.00479 -0.00163 95 5PX 0.01010 0.00988 0.00981 -0.00385 0.00458 96 5PY 0.00814 -0.00191 0.01741 -0.00442 0.00708 97 5PZ -0.00059 -0.00101 0.01189 0.00665 -0.00120 98 6PX 0.00508 0.00008 0.00139 0.00556 -0.02993 99 6PY -0.00398 0.00036 0.00742 -0.00228 -0.00114 100 6PZ 0.00029 0.00566 -0.00108 0.00402 0.01122 101 7D 0 -0.01009 0.00029 0.03290 0.04123 0.02577 102 7D+1 -0.00253 0.00823 -0.02904 0.00470 -0.00772 103 7D-1 -0.01066 -0.02751 -0.05992 0.01288 0.00152 104 7D+2 -0.00642 0.05241 0.03805 0.02069 -0.02543 105 7D-2 0.00493 -0.00345 -0.06846 -0.02253 -0.01465 106 8D 0 -0.00309 -0.00025 0.01078 0.01350 0.00870 107 8D+1 -0.00069 0.00263 -0.00895 0.00086 -0.00230 108 8D-1 -0.00432 -0.00825 -0.01899 0.00363 0.00070 109 8D+2 -0.00175 0.01693 0.01234 0.00695 -0.00875 110 8D-2 0.00097 -0.00209 -0.02155 -0.00681 -0.00536 111 6 Cu 1S -0.00199 0.00007 -0.00060 -0.00032 0.00080 112 2S 0.00462 0.01920 -0.02273 -0.02232 -0.00886 113 3S -0.01037 -0.00358 -0.01152 -0.01726 0.00670 114 4PX 0.00004 -0.00081 -0.00106 -0.00258 0.00256 115 4PY -0.00141 0.00037 -0.00235 -0.00226 -0.00113 116 4PZ -0.00028 -0.00224 -0.00719 -0.00445 0.00402 117 5PX -0.00039 0.00555 0.00012 0.00122 0.00013 118 5PY -0.00238 -0.00143 0.00502 -0.00543 -0.00069 119 5PZ -0.00280 -0.00033 -0.00353 0.00460 -0.00076 120 6PX 0.00061 -0.00011 0.00066 0.00052 0.01139 121 6PY 0.00142 -0.00485 -0.00175 -0.00112 0.00060 122 6PZ -0.01105 -0.00581 -0.00442 -0.00846 0.01264 123 7D 0 0.00249 -0.00454 0.01249 0.00092 0.03160 124 7D+1 -0.00142 0.00809 0.02579 0.01858 -0.04308 125 7D-1 0.00285 0.00007 0.02830 0.03043 -0.02777 126 7D+2 -0.00026 0.00903 0.00963 0.01522 -0.05007 127 7D-2 0.00247 -0.00133 -0.00350 -0.00295 0.00343 128 8D 0 0.00107 -0.00148 0.00435 0.00028 0.01063 129 8D+1 -0.00068 0.00275 0.00873 0.00606 -0.01436 130 8D-1 0.00037 0.00065 0.00942 0.01061 -0.00949 131 8D+2 0.00032 0.00294 0.00317 0.00526 -0.01662 132 8D-2 0.00069 -0.00080 -0.00135 -0.00060 0.00130 133 7 Cu 1S -0.00299 0.00112 0.00115 0.00127 0.00019 134 2S -0.00227 -0.00593 -0.00143 -0.00786 -0.02349 135 3S -0.01468 0.03085 0.02492 0.03669 -0.01918 136 4PX -0.00199 -0.00617 0.00145 0.00147 -0.00535 137 4PY -0.00111 0.00010 -0.00603 -0.00021 0.00048 138 4PZ 0.00033 0.00180 0.00167 -0.00539 0.00012 139 5PX 0.00013 0.01707 -0.00170 -0.00413 -0.01103 140 5PY -0.00139 -0.00117 0.01678 -0.00077 -0.00054 141 5PZ -0.00464 -0.00425 -0.00151 0.01477 -0.00083 142 6PX -0.00717 0.00191 0.00142 0.00156 0.01489 143 6PY -0.00592 0.00315 0.00304 0.00373 -0.00627 144 6PZ 0.00518 0.00120 0.00136 0.00181 -0.01115 145 7D 0 0.00237 0.01349 0.00231 -0.00988 0.00400 146 7D+1 0.00195 -0.00148 -0.00057 0.00978 -0.00377 147 7D-1 0.00131 0.00399 0.00460 0.00490 0.02069 148 7D+2 -0.00101 -0.00667 0.01117 0.00202 -0.01126 149 7D-2 0.00091 0.00783 -0.00122 0.00230 -0.00835 150 8D 0 0.00130 0.00478 0.00092 -0.00328 0.00122 151 8D+1 0.00021 0.00006 -0.00002 0.00421 -0.00133 152 8D-1 0.00004 0.00145 0.00202 0.00214 0.00627 153 8D+2 -0.00048 -0.00228 0.00408 0.00046 -0.00358 154 8D-2 -0.00046 0.00330 -0.00024 0.00098 -0.00271 155 8 Cu 1S -0.00032 -0.00046 -0.00051 0.00005 -0.00079 156 2S -0.00771 -0.03159 -0.01393 0.01415 -0.01904 157 3S 0.00325 -0.01766 -0.00906 -0.00716 -0.02457 158 4PX -0.00017 -0.00469 -0.00639 -0.00180 -0.00929 159 4PY -0.00049 -0.00233 -0.00080 0.00005 0.00007 160 4PZ -0.00003 -0.00349 -0.00267 -0.00213 -0.00776 161 5PX 0.00187 0.00261 -0.00301 -0.00086 -0.00502 162 5PY 0.00160 -0.00404 0.00609 -0.00283 -0.00116 163 5PZ -0.00098 0.00135 -0.00117 0.00638 0.00496 164 6PX 0.00323 -0.00686 -0.00461 -0.00795 -0.00733 165 6PY 0.00360 0.00132 -0.00171 -0.00322 0.00346 166 6PZ 0.00382 -0.00178 -0.00044 -0.00171 -0.01148 167 7D 0 0.00012 0.01694 0.01420 0.01557 0.04588 168 7D+1 -0.00004 0.01187 0.01902 0.00041 0.00355 169 7D-1 -0.00015 0.01238 0.00543 0.00476 0.03375 170 7D+2 0.00111 0.01856 0.01511 0.00131 -0.03706 171 7D-2 -0.00070 0.03056 0.02054 0.00573 0.02951 172 8D 0 -0.00012 0.00559 0.00478 0.00516 0.01541 173 8D+1 0.00006 0.00393 0.00650 0.00002 0.00148 174 8D-1 -0.00002 0.00464 0.00149 0.00170 0.01142 175 8D+2 0.00028 0.00627 0.00521 0.00076 -0.01270 176 8D-2 -0.00080 0.01021 0.00698 0.00258 0.00964 177 9 C 1S 0.00126 0.00139 0.00853 -0.00021 0.00331 178 2S -0.00177 -0.00232 -0.01447 0.00047 -0.00390 179 3S -0.01028 0.00058 -0.02063 0.00592 -0.00385 180 4PX 0.00358 0.00368 0.00391 -0.00961 -0.00302 181 4PY -0.00170 0.00381 -0.00555 0.00905 -0.00664 182 4PZ 0.00176 -0.00944 0.00908 -0.00543 0.00567 183 5PX 0.00017 0.00437 -0.00068 -0.00256 0.00134 184 5PY -0.00299 0.00003 0.00028 0.00150 0.00042 185 5PZ 0.00014 -0.00276 0.00054 0.00242 0.00002 186 10 O 1S -0.00020 -0.00114 -0.00228 -0.00104 0.00099 187 2S 0.00039 0.00196 0.00482 0.00157 -0.00133 188 3S 0.00132 0.00548 0.00889 0.00552 -0.00266 189 4PX -0.00303 -0.00477 -0.00441 0.00688 -0.01612 190 4PY 0.00030 -0.01036 -0.00888 -0.01424 -0.00514 191 4PZ -0.00114 0.00818 -0.00625 0.00398 -0.00549 192 5PX -0.00143 -0.00507 -0.00219 0.00280 -0.00656 193 5PY 0.00197 -0.00275 -0.00408 -0.00436 -0.00320 194 5PZ -0.00030 0.00293 -0.00371 -0.00175 -0.00182 11 12 13 14 15 11 6PY 0.03265 12 6PZ -0.00531 0.02412 13 7D 0 -0.00345 0.02485 1.48452 14 7D+1 -0.00013 0.07712 0.00288 1.50072 15 7D-1 0.07653 0.03694 -0.00036 -0.00381 1.50740 16 7D+2 0.01758 -0.01033 0.00001 -0.00764 0.00808 17 7D-2 0.03599 -0.01544 0.00422 -0.00298 -0.00561 18 8D 0 -0.00103 0.00857 0.49400 0.00129 0.00098 19 8D+1 0.00020 0.02660 0.00160 0.49939 0.00017 20 8D-1 0.02610 0.01274 0.00082 -0.00001 0.50003 21 8D+2 0.00608 -0.00356 -0.00084 -0.00141 0.00204 22 8D-2 0.01234 -0.00485 0.00128 0.00042 -0.00040 23 2 Cu 1S 0.00200 0.00169 0.00449 -0.00230 0.00021 24 2S -0.01043 0.00813 0.07489 -0.01449 0.00233 25 3S 0.03025 0.04064 0.33549 0.05765 0.08509 26 4PX -0.00150 -0.00757 -0.00954 0.01651 -0.00075 27 4PY 0.01360 -0.00818 -0.01368 -0.00040 0.01099 28 4PZ 0.00752 -0.01165 -0.03430 -0.00786 -0.01204 29 5PX -0.00719 -0.00412 0.01109 -0.08369 0.01602 30 5PY -0.00122 0.00116 0.04228 0.01003 -0.07380 31 5PZ -0.00157 0.01147 0.16914 -0.00443 0.02992 32 6PX 0.00861 0.00455 -0.07448 -0.03678 0.04093 33 6PY -0.03769 0.00865 -0.01658 0.03100 -0.10154 34 6PZ -0.00953 0.01790 -0.06297 -0.01748 -0.01601 35 7D 0 0.03096 -0.02606 -0.03304 -0.01633 -0.02748 36 7D+1 -0.02093 -0.01120 -0.01576 0.05350 -0.00450 37 7D-1 -0.02206 0.00134 -0.02690 -0.00407 0.04764 38 7D+2 0.05274 0.00319 -0.00052 0.00689 -0.01344 39 7D-2 -0.03336 0.01152 -0.00789 0.01013 0.00683 40 8D 0 0.01054 -0.00846 -0.00689 -0.00362 -0.00559 41 8D+1 -0.00670 -0.00434 -0.00486 0.00844 -0.00046 42 8D-1 -0.00825 0.00022 -0.00679 -0.00035 0.00760 43 8D+2 0.01793 0.00090 -0.00050 0.00137 -0.00205 44 8D-2 -0.01102 0.00357 -0.00070 0.00102 0.00097 45 3 Cu 1S 0.00149 -0.00088 -0.00231 -0.00477 0.00227 46 2S -0.00072 -0.01383 -0.02180 -0.02520 0.01662 47 3S 0.01176 -0.02628 -0.07912 -0.16819 0.12362 48 4PX 0.00693 0.00033 -0.00017 -0.00202 0.00292 49 4PY 0.00437 -0.00614 -0.00101 0.00054 -0.00022 50 4PZ 0.00457 -0.01404 -0.00301 -0.00240 0.00006 51 5PX -0.00208 -0.00117 -0.00378 -0.02349 0.01294 52 5PY -0.00442 0.00749 0.00153 0.00743 -0.00534 53 5PZ -0.00188 -0.00374 -0.00870 -0.03351 0.01744 54 6PX 0.00824 0.00301 -0.02960 0.01034 0.01744 55 6PY 0.01367 -0.00514 0.03545 -0.01553 0.02037 56 6PZ 0.00466 -0.00878 0.04029 -0.01971 0.01625 57 7D 0 0.02495 -0.04664 -0.00011 -0.01023 -0.00233 58 7D+1 -0.03231 0.03739 -0.00923 -0.01056 0.00381 59 7D-1 -0.03045 0.00882 0.00665 0.00622 0.00521 60 7D+2 0.07295 -0.00136 -0.01099 0.00178 0.00722 61 7D-2 -0.05112 0.02148 -0.00268 0.00647 -0.00068 62 8D 0 0.00825 -0.01557 -0.00172 -0.00527 0.00008 63 8D+1 -0.01075 0.01232 -0.00484 -0.00687 0.00297 64 8D-1 -0.01042 0.00334 0.00342 0.00300 0.00140 65 8D+2 0.02409 -0.00031 -0.00361 -0.00041 0.00390 66 8D-2 -0.01720 0.00719 -0.00170 0.00346 -0.00029 67 4 Cu 1S 0.00212 0.00212 -0.00316 0.00069 -0.00083 68 2S -0.01196 0.00176 -0.03232 0.02961 0.00095 69 3S 0.02501 0.01998 -0.08780 0.21836 0.00235 70 4PX 0.01441 0.00506 0.00581 -0.02616 0.00152 71 4PY 0.01166 -0.00673 0.00242 -0.00167 0.00466 72 4PZ 0.00402 0.01131 0.01403 0.00092 0.00148 73 5PX -0.00062 0.00828 -0.04794 0.10665 -0.01289 74 5PY -0.00240 -0.00132 -0.01817 0.01516 -0.01505 75 5PZ -0.00641 0.00211 -0.05212 -0.04083 0.00139 76 6PX -0.02491 -0.00244 -0.01301 -0.00279 -0.01030 77 6PY -0.03086 0.01420 -0.03914 0.04158 -0.02675 78 6PZ 0.00301 -0.02433 0.06769 -0.11454 0.02073 79 7D 0 0.01315 -0.05570 0.01597 0.03473 0.00053 80 7D+1 -0.01828 -0.01785 0.04338 0.00615 -0.00084 81 7D-1 -0.02191 -0.00167 0.00113 -0.00258 -0.00458 82 7D+2 0.05680 0.00022 -0.01339 -0.03078 -0.00385 83 7D-2 -0.04305 -0.01140 -0.01005 0.00418 0.02822 84 8D 0 0.00476 -0.01901 0.00389 0.00523 0.00080 85 8D+1 -0.00583 -0.00664 0.00935 -0.00179 -0.00057 86 8D-1 -0.00720 0.00007 -0.00044 -0.00030 0.00016 87 8D+2 0.01881 0.00026 -0.00337 -0.00531 -0.00044 88 8D-2 -0.01508 -0.00354 -0.00382 0.00133 0.00574 89 5 Cu 1S 0.00325 -0.00092 -0.00085 -0.00092 -0.00070 90 2S 0.00132 -0.01391 -0.03025 0.00911 0.01380 91 3S 0.03791 0.00220 -0.14384 0.03179 0.11656 92 4PX -0.00918 0.00079 0.00741 0.00036 -0.00868 93 4PY -0.00906 0.00518 0.01501 -0.00414 -0.01261 94 4PZ -0.00836 0.00908 0.00709 0.00384 0.00516 95 5PX -0.00529 0.00186 -0.05074 -0.00031 0.04377 96 5PY 0.00238 0.01028 -0.09847 0.01988 0.07755 97 5PZ -0.00687 0.00427 -0.00223 -0.04529 -0.08195 98 6PX 0.02270 0.00527 -0.05206 0.02903 0.06946 99 6PY 0.01497 -0.01467 0.03967 -0.02501 -0.01819 100 6PZ 0.01797 -0.02648 0.06027 -0.03914 -0.05365 101 7D 0 -0.01205 -0.01862 -0.00142 0.00930 0.02630 102 7D+1 -0.01715 0.01269 0.01142 -0.00784 0.00800 103 7D-1 -0.00394 -0.02371 0.04021 0.01295 0.03198 104 7D+2 0.00180 0.00605 0.00098 0.02008 0.01499 105 7D-2 -0.00148 -0.00075 -0.00325 0.00979 -0.01238 106 8D 0 -0.00459 -0.00600 -0.00012 0.00134 0.00349 107 8D+1 -0.00673 0.00476 0.00105 -0.00202 -0.00095 108 8D-1 -0.00056 -0.00853 0.00881 0.00230 0.00558 109 8D+2 0.00061 0.00205 0.00054 0.00425 0.00438 110 8D-2 0.00008 -0.00011 -0.00185 0.00287 -0.00021 111 6 Cu 1S -0.00125 -0.00027 -0.00111 0.00000 -0.00601 112 2S -0.01119 -0.02072 -0.02545 0.00205 -0.03665 113 3S -0.02559 -0.01818 0.01073 0.03469 -0.19167 114 4PX -0.00785 -0.00209 -0.00049 0.00139 -0.00094 115 4PY -0.01083 0.00145 0.00084 0.00232 -0.00289 116 4PZ -0.00304 -0.01002 -0.00311 -0.00109 -0.00273 117 5PX 0.00510 0.00504 -0.00485 0.00023 -0.00147 118 5PY -0.00837 -0.00146 0.01110 -0.00202 -0.03007 119 5PZ -0.00480 -0.00216 0.01323 -0.00261 -0.03112 120 6PX -0.01327 -0.00143 0.02653 0.00088 -0.02922 121 6PY -0.00768 0.00588 -0.03791 0.02580 -0.00512 122 6PZ -0.00090 -0.00786 0.05791 -0.00053 -0.01283 123 7D 0 0.04401 -0.05608 0.00250 -0.00519 -0.00598 124 7D+1 0.02969 0.02316 0.00507 0.00555 0.00121 125 7D-1 0.00801 0.00954 -0.00530 -0.00237 -0.01156 126 7D+2 0.04455 -0.00560 0.00401 -0.00449 0.00838 127 7D-2 -0.00504 0.02549 -0.00737 0.00995 0.00166 128 8D 0 0.01480 -0.01879 0.00104 -0.00225 -0.00376 129 8D+1 0.01014 0.00799 0.00208 0.00270 0.00092 130 8D-1 0.00220 0.00293 -0.00216 -0.00098 -0.00843 131 8D+2 0.01496 -0.00189 0.00046 -0.00151 0.00457 132 8D-2 -0.00102 0.00875 -0.00279 0.00483 0.00055 133 7 Cu 1S -0.00046 0.00038 -0.00112 -0.00368 -0.00287 134 2S -0.02008 -0.02795 -0.00890 -0.01167 -0.01250 135 3S -0.03730 -0.01764 -0.03839 -0.17112 -0.11253 136 4PX 0.00048 0.00011 0.00393 -0.00365 0.00162 137 4PY -0.00567 0.00068 0.00132 0.00020 -0.00437 138 4PZ 0.00068 -0.00550 -0.00538 -0.00153 -0.00095 139 5PX -0.00682 0.00063 -0.01869 -0.01784 -0.02607 140 5PY -0.01638 0.00075 -0.00971 -0.01849 0.00330 141 5PZ -0.00803 -0.00956 0.01200 -0.03268 -0.02438 142 6PX -0.00686 -0.01100 0.03795 -0.04307 -0.04218 143 6PY 0.01125 -0.00564 0.02207 -0.04973 0.01052 144 6PZ -0.00621 0.01003 -0.06188 0.00679 -0.00786 145 7D 0 0.00671 -0.01255 0.00116 0.00051 -0.00091 146 7D+1 0.02145 -0.00855 -0.00161 -0.01137 -0.00943 147 7D-1 -0.01323 0.00535 0.00041 -0.00874 -0.00285 148 7D+2 -0.00201 0.00653 0.00146 0.00392 -0.00451 149 7D-2 -0.00136 0.01996 -0.00726 -0.00664 -0.00189 150 8D 0 0.00181 -0.00393 0.00235 -0.00096 -0.00140 151 8D+1 0.00632 -0.00276 -0.00180 -0.00641 -0.00640 152 8D-1 -0.00410 0.00143 -0.00074 -0.00432 -0.00150 153 8D+2 -0.00084 0.00202 0.00086 0.00155 -0.00349 154 8D-2 -0.00038 0.00602 -0.00232 -0.00411 -0.00062 155 8 Cu 1S -0.00096 0.00083 0.00161 -0.00002 0.00024 156 2S -0.00933 -0.01343 0.03248 -0.01662 -0.00697 157 3S -0.01978 0.00413 0.02459 0.07097 0.04816 158 4PX -0.00084 0.00017 0.00145 -0.00181 0.00117 159 4PY -0.01190 0.00171 0.00318 0.00193 -0.00233 160 4PZ -0.00443 0.00280 0.00103 -0.00030 0.00014 161 5PX -0.00713 -0.00088 -0.01105 0.01660 0.01228 162 5PY -0.00593 0.00055 -0.00847 0.00902 -0.00207 163 5PZ 0.00363 0.00065 0.00908 -0.00356 0.00073 164 6PX 0.00419 0.00584 0.00097 0.02388 0.01686 165 6PY -0.01076 0.00500 -0.02035 0.01900 0.00153 166 6PZ -0.00657 0.01381 -0.05430 0.04719 0.01308 167 7D 0 0.01366 -0.06224 -0.00552 0.00307 0.00229 168 7D+1 0.03286 -0.00826 0.00441 0.00564 0.00294 169 7D-1 -0.00187 -0.01579 0.00470 0.00172 0.00443 170 7D+2 0.05578 -0.02642 -0.00250 -0.00720 0.00291 171 7D-2 -0.01919 -0.01802 0.00880 -0.00424 -0.00528 172 8D 0 0.00457 -0.02071 -0.00153 0.00047 0.00042 173 8D+1 0.01136 -0.00265 0.00211 0.00307 0.00290 174 8D-1 -0.00023 -0.00523 0.00253 0.00110 0.00096 175 8D+2 0.01837 -0.00889 -0.00035 -0.00337 0.00143 176 8D-2 -0.00697 -0.00624 0.00491 -0.00198 -0.00351 177 9 C 1S 0.00405 0.00377 -0.00447 -0.00141 -0.00429 178 2S -0.01183 -0.00283 0.01099 -0.00126 0.00728 179 3S 0.00098 -0.00594 0.02359 0.03354 0.05572 180 4PX -0.00298 0.00477 -0.01564 0.00247 0.00242 181 4PY 0.02172 -0.01570 -0.00019 0.00119 0.01455 182 4PZ -0.01067 0.00449 -0.00920 -0.00201 -0.00009 183 5PX -0.00196 0.00063 0.01152 -0.00043 -0.02499 184 5PY -0.00029 0.00103 -0.01066 0.01405 0.00452 185 5PZ -0.00235 0.00195 0.01301 0.00327 -0.00802 186 10 O 1S -0.00778 0.00312 0.00148 0.00050 0.00062 187 2S 0.01486 -0.00518 -0.00207 -0.00075 -0.00194 188 3S 0.02661 -0.00971 -0.01691 -0.00570 -0.00322 189 4PX 0.02560 -0.01304 0.01510 -0.00245 -0.00224 190 4PY -0.01214 -0.00710 0.00372 -0.00162 -0.00525 191 4PZ 0.03494 -0.02706 0.00740 0.00302 0.00297 192 5PX 0.00863 -0.00475 0.00679 -0.00169 0.00541 193 5PY 0.00083 -0.00581 0.00148 -0.00502 -0.00083 194 5PZ 0.01041 -0.00974 0.00253 0.00090 0.00461 16 17 18 19 20 16 7D+2 1.49202 17 7D-2 0.00960 1.50343 18 8D 0 -0.00072 0.00093 0.16447 19 8D+1 -0.00073 0.00046 0.00071 0.16646 20 8D-1 0.00227 -0.00054 0.00067 0.00055 0.16610 21 8D+2 0.49496 0.00314 -0.00052 0.00014 0.00057 22 8D-2 0.00320 0.49815 0.00029 0.00070 0.00036 23 2 Cu 1S -0.00074 -0.00044 0.00210 -0.00071 0.00037 24 2S 0.00302 0.00582 0.02565 -0.00280 0.00230 25 3S 0.00537 0.00861 0.11265 0.01978 0.02932 26 4PX 0.00073 0.00275 -0.00174 0.00704 -0.00021 27 4PY -0.00255 0.00046 -0.00318 -0.00021 0.00534 28 4PZ 0.00207 0.00081 -0.00602 -0.00175 -0.00227 29 5PX 0.01016 -0.01536 0.00352 -0.02764 0.00534 30 5PY -0.01693 0.02223 0.01405 0.00363 -0.02470 31 5PZ 0.00213 -0.00524 0.05711 -0.00039 0.01081 32 6PX 0.06444 -0.03744 -0.02508 -0.01255 0.01379 33 6PY -0.09809 0.04827 -0.00567 0.01026 -0.03459 34 6PZ 0.00448 -0.00182 -0.02151 -0.00702 -0.00621 35 7D 0 0.00504 -0.00839 -0.01040 -0.00106 -0.00426 36 7D+1 0.01394 0.00849 -0.00304 0.00929 0.00022 37 7D-1 -0.02348 0.01223 -0.00689 0.00007 0.00808 38 7D+2 -0.00986 -0.00253 -0.00122 -0.00093 -0.00008 39 7D-2 0.00367 -0.01557 -0.00142 0.00115 -0.00019 40 8D 0 0.00120 -0.00218 -0.00208 0.00025 -0.00026 41 8D+1 0.00413 0.00045 -0.00089 0.00000 0.00039 42 8D-1 -0.00792 0.00515 -0.00158 0.00037 0.00001 43 8D+2 -0.00137 0.00024 -0.00051 -0.00059 0.00079 44 8D-2 0.00198 -0.00289 0.00018 -0.00035 -0.00045 45 3 Cu 1S -0.00003 0.00108 -0.00065 -0.00141 0.00068 46 2S -0.01419 0.01424 -0.00840 -0.01033 0.00470 47 3S 0.01839 0.06312 -0.02685 -0.05700 0.04137 48 4PX -0.00276 -0.00118 0.00072 -0.00058 0.00073 49 4PY -0.00122 0.00107 -0.00063 -0.00037 0.00008 50 4PZ -0.00001 0.00268 -0.00099 -0.00004 -0.00026 51 5PX 0.00875 0.00157 -0.00119 -0.00782 0.00472 52 5PY -0.00335 -0.00144 0.00082 0.00322 -0.00205 53 5PZ 0.01562 0.00412 -0.00293 -0.01143 0.00587 54 6PX 0.05071 -0.01432 -0.00980 0.00384 0.00586 55 6PY 0.05682 -0.00605 0.01169 -0.00539 0.00684 56 6PZ 0.01219 0.01215 0.01373 -0.00599 0.00572 57 7D 0 -0.00616 0.01175 -0.00189 -0.00513 -0.00053 58 7D+1 -0.00472 -0.00214 -0.00553 -0.00709 0.00278 59 7D-1 -0.00357 0.00521 0.00257 0.00257 0.00155 60 7D+2 -0.00452 0.00125 -0.00345 -0.00021 0.00371 61 7D-2 0.00485 0.00331 -0.00183 0.00276 -0.00017 62 8D 0 -0.00129 0.00493 -0.00120 -0.00234 0.00008 63 8D+1 -0.00287 0.00033 -0.00244 -0.00349 0.00142 64 8D-1 -0.00112 0.00225 0.00130 0.00125 0.00039 65 8D+2 -0.00074 0.00033 -0.00113 -0.00037 0.00174 66 8D-2 0.00170 0.00055 -0.00086 0.00142 -0.00010 67 4 Cu 1S 0.00367 -0.00131 -0.00134 0.00061 -0.00025 68 2S 0.05805 -0.02377 -0.01033 0.01192 0.00136 69 3S 0.25966 -0.00563 -0.03021 0.07402 0.00138 70 4PX -0.02303 -0.00220 0.00002 -0.00584 0.00089 71 4PY -0.00497 0.01484 0.00043 -0.00014 0.00184 72 4PZ -0.01841 0.00141 0.00442 0.00321 0.00011 73 5PX 0.11149 -0.03192 -0.01598 0.03684 -0.00355 74 5PY -0.02520 -0.06768 -0.00607 0.00512 -0.00534 75 5PZ 0.08737 -0.00457 -0.01665 -0.01333 0.00069 76 6PX -0.07060 -0.02545 -0.00463 -0.00196 -0.00401 77 6PY -0.10031 -0.04611 -0.01283 0.01382 -0.00929 78 6PZ 0.01306 0.04133 0.02240 -0.03894 0.00685 79 7D 0 -0.00954 -0.00206 0.00201 0.00440 0.00112 80 7D+1 -0.02649 -0.00258 0.01141 -0.00012 0.00079 81 7D-1 -0.00457 0.02753 -0.00069 -0.00140 -0.00021 82 7D+2 -0.02394 -0.00308 -0.00248 -0.00640 0.00084 83 7D-2 -0.00873 0.04905 -0.00374 0.00255 0.00578 84 8D 0 -0.00164 0.00030 0.00021 -0.00063 0.00058 85 8D+1 -0.00430 -0.00078 0.00213 -0.00131 0.00012 86 8D-1 -0.00132 0.00428 -0.00048 -0.00023 0.00055 87 8D+2 -0.00668 -0.00048 -0.00048 -0.00048 0.00056 88 8D-2 -0.00539 0.00935 -0.00141 0.00081 0.00069 89 5 Cu 1S -0.00109 -0.00023 -0.00055 -0.00040 -0.00039 90 2S -0.04982 0.02974 -0.00961 0.00381 0.00525 91 3S -0.21210 0.16850 -0.04794 0.01069 0.03850 92 4PX 0.01412 0.00340 0.00177 0.00049 -0.00246 93 4PY 0.02147 -0.02043 0.00323 -0.00076 -0.00286 94 4PZ 0.00715 -0.00906 0.00210 0.00187 0.00391 95 5PX -0.06086 -0.08082 -0.01703 0.00023 0.01499 96 5PY -0.14558 0.13790 -0.03175 0.00859 0.02726 97 5PZ -0.00953 0.03366 -0.00034 -0.01542 -0.02690 98 6PX 0.02595 -0.12977 -0.01718 0.00916 0.02321 99 6PY 0.05466 -0.00601 0.01337 -0.00859 -0.00622 100 6PZ 0.02862 0.07018 0.01996 -0.01362 -0.01821 101 7D 0 0.00096 -0.00263 -0.00095 0.00159 0.00419 102 7D+1 0.01822 0.00223 0.00270 -0.00112 0.00040 103 7D-1 0.02290 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7D 0 0.00531 0.00445 0.00058 -0.00247 -0.00388 124 7D+1 0.00269 0.00066 0.00217 0.00267 0.00093 125 7D-1 0.00850 -0.00254 -0.00269 -0.00106 -0.00839 126 7D+2 -0.00190 0.00384 0.00068 -0.00142 0.00400 127 7D-2 -0.00132 0.00504 -0.00281 0.00483 0.00049 128 8D 0 0.00295 0.00401 0.00027 -0.00101 -0.00186 129 8D+1 0.00201 0.00055 0.00087 0.00118 0.00055 130 8D-1 0.00476 -0.00179 -0.00106 -0.00049 -0.00432 131 8D+2 -0.00100 0.00041 -0.00005 -0.00048 0.00195 132 8D-2 -0.00098 0.00251 -0.00105 0.00216 0.00023 133 7 Cu 1S -0.00060 -0.00240 -0.00026 -0.00116 -0.00092 134 2S -0.01180 -0.00652 -0.00441 -0.00768 -0.00647 135 3S 0.00206 -0.10644 -0.01409 -0.06201 -0.04022 136 4PX -0.00393 -0.00160 0.00180 -0.00094 0.00115 137 4PY 0.00279 -0.00358 0.00080 0.00077 -0.00138 138 4PZ 0.00128 0.00133 -0.00189 -0.00012 -0.00007 139 5PX 0.01495 -0.01635 -0.00625 -0.00690 -0.00912 140 5PY -0.01107 0.00225 -0.00336 -0.00693 0.00055 141 5PZ -0.00059 -0.02992 0.00352 -0.01182 -0.00854 142 6PX -0.02943 0.03898 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0.01053 -0.00009 0.00069 0.00385 182 4PZ -0.02353 0.00906 -0.00304 0.00022 0.00115 183 5PX 0.01358 0.00596 0.00379 0.00008 -0.00842 184 5PY -0.02468 0.00901 -0.00355 0.00502 0.00148 185 5PZ 0.01373 -0.03204 0.00432 0.00132 -0.00273 186 10 O 1S 0.00234 -0.00033 0.00054 0.00010 -0.00038 187 2S -0.00366 -0.00017 -0.00079 -0.00005 0.00056 188 3S -0.02517 0.00577 -0.00568 -0.00195 -0.00049 189 4PX 0.01320 -0.00053 0.00487 -0.00138 -0.00138 190 4PY 0.00712 -0.00777 0.00073 -0.00034 -0.00077 191 4PZ 0.02002 -0.00925 0.00182 0.00036 -0.00037 192 5PX 0.00588 -0.00083 0.00221 -0.00084 0.00173 193 5PY 0.00647 -0.00329 0.00028 -0.00186 -0.00017 194 5PZ 0.01099 0.00158 0.00054 0.00004 0.00127 21 22 23 24 25 21 8D+2 0.16429 22 8D-2 0.00110 0.16524 23 2 Cu 1S -0.00036 -0.00012 2.00808 24 2S 0.00096 0.00283 0.01172 0.30111 25 3S 0.00089 0.00373 0.03922 0.05455 0.67456 26 4PX 0.00007 0.00080 0.00472 0.02387 -0.09210 27 4PY -0.00098 0.00017 0.00260 0.01430 -0.07528 28 4PZ 0.00039 0.00058 -0.00262 -0.01439 0.07480 29 5PX 0.00392 -0.00545 -0.00618 -0.03762 -0.12909 30 5PY -0.00605 0.00744 -0.00419 -0.01881 -0.05472 31 5PZ 0.00095 -0.00105 0.00417 0.01900 0.05560 32 6PX 0.02154 -0.01258 -0.00728 0.03866 -0.05996 33 6PY -0.03269 0.01579 -0.00421 0.01867 -0.03308 34 6PZ 0.00139 -0.00094 0.00428 -0.01906 0.03291 35 7D 0 0.00150 -0.00117 0.00032 -0.00648 -0.05175 36 7D+1 0.00524 0.00111 0.00029 -0.01500 -0.15513 37 7D-1 -0.00775 0.00518 -0.00029 -0.00520 -0.03905 38 7D+2 -0.00204 -0.00015 -0.00061 0.01151 0.09495 39 7D-2 0.00209 -0.00304 -0.00026 0.01489 0.15570 40 8D 0 0.00033 -0.00020 0.00008 -0.00317 -0.01757 41 8D+1 0.00158 -0.00045 -0.00008 -0.00725 -0.05274 42 8D-1 -0.00263 0.00208 -0.00065 -0.00208 -0.01573 43 8D+2 -0.00004 0.00034 -0.00020 0.00569 0.03205 44 8D-2 0.00097 -0.00022 0.00008 0.00719 0.05289 45 3 Cu 1S 0.00005 0.00030 -0.00213 -0.00616 -0.00415 46 2S -0.00569 0.00423 -0.00477 0.13147 -0.01256 47 3S 0.00598 0.02109 -0.01060 0.06280 -0.19320 48 4PX -0.00102 -0.00033 -0.00039 -0.01449 -0.06844 49 4PY -0.00028 0.00032 0.00066 0.01094 0.01646 50 4PZ 0.00034 0.00052 -0.00062 -0.01008 -0.01372 51 5PX 0.00292 0.00021 -0.00276 0.02921 -0.03474 52 5PY -0.00111 -0.00048 0.00174 -0.01197 0.02910 53 5PZ 0.00553 0.00171 -0.00160 0.01063 -0.02717 54 6PX 0.01707 -0.00448 -0.00048 0.00010 -0.02759 55 6PY 0.01883 -0.00202 0.00250 -0.00677 0.04593 56 6PZ 0.00410 0.00414 -0.00239 0.00652 -0.04264 57 7D 0 -0.00158 0.00519 -0.00285 -0.03349 -0.09255 58 7D+1 -0.00392 0.00030 0.00112 0.02684 0.18821 59 7D-1 -0.00150 0.00241 0.00094 -0.01366 -0.08924 60 7D+2 -0.00116 0.00009 0.00492 0.05521 0.14217 61 7D-2 0.00113 0.00099 -0.00142 -0.03156 -0.20751 62 8D 0 -0.00029 0.00207 -0.00113 -0.01086 -0.03067 63 8D+1 -0.00178 0.00040 0.00059 0.00984 0.06407 64 8D-1 -0.00048 0.00098 0.00023 -0.00541 -0.03155 65 8D+2 -0.00013 0.00000 0.00194 0.01776 0.04684 66 8D-2 0.00041 0.00013 -0.00072 -0.01145 -0.07060 67 4 Cu 1S 0.00170 -0.00030 -0.00389 -0.01003 0.00200 68 2S 0.01966 -0.00647 -0.01003 0.07387 -0.09241 69 3S 0.08671 -0.00107 0.00205 -0.09229 0.02000 70 4PX -0.00368 -0.00025 -0.00332 -0.03227 -0.00691 71 4PY -0.00069 0.00597 0.00047 -0.00541 0.02366 72 4PZ -0.00441 0.00051 0.00235 0.02032 0.01656 73 5PX 0.03750 -0.01009 -0.00300 0.04555 -0.01696 74 5PY -0.00876 -0.02254 0.00047 0.02743 0.00024 75 5PZ 0.02947 -0.00131 0.00247 -0.02702 0.01052 76 6PX -0.02394 -0.00940 -0.00067 -0.01954 -0.04110 77 6PY -0.03363 -0.01573 -0.00179 0.01844 -0.03217 78 6PZ 0.00427 0.01370 -0.00027 0.00556 0.01035 79 7D 0 0.00082 0.00070 -0.00156 -0.01672 0.00335 80 7D+1 -0.00490 -0.00019 -0.00125 -0.06447 -0.29682 81 7D-1 -0.00169 0.00415 -0.00201 -0.00596 0.02158 82 7D+2 -0.00857 0.00240 -0.00041 0.01643 0.22455 83 7D-2 -0.00411 0.00882 0.00325 0.02092 -0.03406 84 8D 0 0.00077 0.00055 -0.00049 -0.00589 0.00041 85 8D+1 -0.00013 -0.00005 -0.00043 -0.02139 -0.10074 86 8D-1 -0.00049 -0.00019 -0.00079 -0.00177 0.00591 87 8D+2 -0.00242 0.00099 0.00001 0.00444 0.07507 88 8D-2 -0.00219 0.00066 0.00104 0.00698 -0.01295 89 5 Cu 1S -0.00079 -0.00005 -0.00320 -0.00552 -0.00731 90 2S -0.01607 0.01030 -0.00813 0.05853 -0.09733 91 3S -0.07090 0.05597 -0.00469 -0.04692 -0.15269 92 4PX 0.00447 0.00362 -0.00086 -0.02027 -0.00954 93 4PY 0.00420 -0.00500 -0.00129 -0.02503 0.00040 94 4PZ 0.00168 -0.00252 0.00127 0.02453 0.00023 95 5PX -0.01953 -0.02670 -0.00109 0.05934 0.02279 96 5PY -0.04766 0.04691 -0.00644 0.02587 -0.12136 97 5PZ -0.00288 0.01127 0.00618 -0.02660 0.11436 98 6PX 0.00873 -0.04376 -0.00047 -0.02364 0.02654 99 6PY 0.01864 -0.00223 -0.00074 -0.00359 -0.02073 100 6PZ 0.00995 0.02326 0.00065 0.00491 0.01909 101 7D 0 -0.00068 0.00089 -0.00130 -0.00367 0.01605 102 7D+1 0.00308 -0.00052 -0.00162 -0.01677 -0.08186 103 7D-1 0.00694 -0.00209 0.00009 -0.05430 -0.11570 104 7D+2 0.00245 0.00595 0.00238 0.00254 -0.03207 105 7D-2 0.01161 -0.00119 0.00158 0.01588 0.08247 106 8D 0 -0.00025 0.00048 -0.00057 -0.00161 0.00569 107 8D+1 -0.00065 -0.00052 -0.00052 -0.00328 -0.02789 108 8D-1 0.00156 0.00082 0.00057 -0.01798 -0.04004 109 8D+2 0.00043 -0.00019 0.00108 0.00135 -0.01132 110 8D-2 0.00148 -0.00159 0.00051 0.00282 0.02814 111 6 Cu 1S 0.00044 0.00063 -0.00226 -0.00663 -0.00540 112 2S 0.00820 -0.00288 -0.00573 0.14500 -0.09545 113 3S 0.01186 0.04116 -0.01002 0.08162 -0.18142 114 4PX 0.00003 -0.00012 0.00074 0.00497 -0.00958 115 4PY 0.00076 -0.00081 -0.00103 -0.01998 -0.06583 116 4PZ -0.00046 0.00103 -0.00101 -0.00864 -0.02162 117 5PX 0.00268 -0.00252 0.00049 -0.00091 0.01412 118 5PY -0.00275 0.00567 -0.00331 0.04030 -0.04384 119 5PZ 0.00201 0.00865 -0.00021 0.01015 -0.00560 120 6PX -0.01728 0.01541 0.00195 -0.00288 0.01033 121 6PY -0.01444 0.00786 -0.00163 -0.00871 -0.04004 122 6PZ 0.00562 0.00935 -0.00215 0.01021 -0.03189 123 7D 0 0.00310 0.00244 -0.00162 -0.03932 -0.16377 124 7D+1 0.00370 0.00045 0.00057 -0.00533 -0.00809 125 7D-1 0.00488 -0.00168 0.00043 0.00746 0.11056 126 7D+2 -0.00052 0.00114 -0.00410 -0.06239 -0.28707 127 7D-2 -0.00085 0.00249 0.00250 0.01823 -0.04027 128 8D 0 0.00144 0.00165 -0.00072 -0.01328 -0.05412 129 8D+1 0.00160 0.00025 0.00018 -0.00267 -0.00351 130 8D-1 0.00225 -0.00094 0.00048 0.00410 0.03789 131 8D+2 -0.00030 0.00010 -0.00193 -0.02148 -0.09688 132 8D-2 -0.00047 0.00111 0.00082 0.00416 -0.01391 133 7 Cu 1S -0.00004 -0.00082 -0.00389 -0.01001 0.00198 134 2S -0.00479 -0.00407 -0.01000 0.07387 -0.09122 135 3S 0.00066 -0.03812 0.00194 -0.09223 0.01783 136 4PX -0.00143 -0.00057 -0.00340 -0.03263 -0.00817 137 4PY 0.00128 -0.00107 -0.00223 -0.01961 -0.01534 138 4PZ 0.00081 0.00095 -0.00049 0.00543 -0.02408 139 5PX 0.00486 -0.00576 -0.00310 0.04543 -0.01745 140 5PY -0.00352 0.00016 -0.00238 0.02678 -0.01027 141 5PZ -0.00018 -0.01047 -0.00050 -0.02768 -0.00059 142 6PX -0.00955 0.01289 -0.00062 -0.01991 -0.04060 143 6PY 0.02926 -0.01432 0.00019 -0.00407 -0.00993 144 6PZ -0.01112 -0.01304 0.00180 -0.01817 0.03136 145 7D 0 -0.00075 -0.00385 0.00113 -0.00530 -0.19564 146 7D+1 -0.00080 -0.00346 -0.00321 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-0.00102 133 7 Cu 1S 0.00067 -0.00039 0.00037 0.00187 0.00294 134 2S -0.04144 0.01494 0.01908 -0.01209 0.00988 135 3S 0.00548 0.01594 0.02773 0.04180 -0.16847 136 4PX 0.00266 0.00614 -0.01502 -0.00076 0.01374 137 4PY 0.00311 -0.01474 0.02069 -0.00470 0.00912 138 4PZ -0.00677 0.00449 -0.00075 -0.00116 0.00983 139 5PX -0.00345 0.02621 0.00056 0.01019 -0.05858 140 5PY -0.00722 0.00222 0.02399 0.00458 -0.03916 141 5PZ 0.01365 -0.00373 0.00439 0.00241 -0.05874 142 6PX 0.00356 -0.01278 0.00562 -0.02330 0.00304 143 6PY 0.00949 0.01911 -0.02713 0.00071 -0.01873 144 6PZ 0.00155 -0.00082 0.01355 0.03539 -0.04024 145 7D 0 -0.02570 0.03220 -0.00157 -0.05495 -0.02006 146 7D+1 0.02077 0.01768 -0.01862 -0.00317 0.02033 147 7D-1 0.01474 -0.01670 0.03738 -0.03075 0.01789 148 7D+2 -0.01629 0.00596 -0.01043 0.02205 0.00529 149 7D-2 -0.01634 -0.00528 0.00087 0.02340 0.00961 150 8D 0 -0.00887 0.01103 -0.00040 -0.01850 -0.00665 151 8D+1 0.00669 0.00614 -0.00491 0.00029 0.00152 152 8D-1 0.00438 -0.00457 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-0.00458 74 5PY 0.01887 0.00196 -0.05886 0.00564 -0.00496 75 5PZ 0.08287 -0.00295 -0.03719 0.02868 -0.00743 76 6PX -0.00054 -0.01998 -0.01125 -0.00995 0.00134 77 6PY 0.02567 -0.01089 -0.02621 0.05734 -0.01027 78 6PZ -0.01276 -0.03450 -0.03014 -0.00898 0.00081 79 7D 0 -0.01707 0.00219 -0.02487 0.00619 0.00523 80 7D+1 -0.03226 0.00197 0.02343 -0.01298 -0.00495 81 7D-1 0.00697 0.00074 -0.02340 -0.03564 0.00187 82 7D+2 0.02044 -0.01868 -0.00815 0.01002 -0.00566 83 7D-2 -0.02010 -0.03869 0.01712 0.02692 0.00233 84 8D 0 -0.00376 -0.00141 -0.00580 0.00083 0.00030 85 8D+1 -0.00848 0.00056 0.00622 -0.00140 -0.00090 86 8D-1 0.00062 -0.00280 -0.00486 -0.00874 0.00095 87 8D+2 0.00438 -0.00459 -0.00436 0.00203 -0.00094 88 8D-2 -0.00368 -0.01021 0.00062 0.00476 0.00025 89 5 Cu 1S 0.00161 -0.00071 0.00116 -0.00174 -0.00032 90 2S 0.00133 -0.06320 -0.00781 -0.00281 -0.00025 91 3S -0.04882 -0.24456 -0.11537 0.05085 0.01820 92 4PX -0.00215 0.01042 0.00257 0.00230 -0.00014 93 4PY 0.00225 0.01791 0.00316 -0.00431 -0.00249 94 4PZ -0.00444 -0.01712 -0.00754 0.00212 -0.00190 95 5PX 0.00922 -0.03666 0.01627 -0.01054 -0.00418 96 5PY 0.00779 -0.14072 -0.08464 0.03244 0.00530 97 5PZ 0.03173 0.13625 0.06210 0.00815 -0.01820 98 6PX 0.00691 -0.00044 0.02499 -0.00983 -0.00452 99 6PY -0.00166 0.00591 -0.00024 -0.02710 0.00951 100 6PZ -0.02718 -0.00653 0.02321 -0.00325 0.00539 101 7D 0 0.00180 -0.00392 0.02170 -0.01892 0.00541 102 7D+1 0.00830 -0.01276 -0.02067 -0.02953 -0.00062 103 7D-1 -0.02248 -0.01630 -0.00362 0.02450 0.00012 104 7D+2 -0.02484 0.00376 0.00386 0.01548 0.00562 105 7D-2 -0.02966 0.01399 0.00880 0.01044 -0.00418 106 8D 0 -0.00102 -0.00142 0.00454 -0.00445 0.00039 107 8D+1 -0.00026 -0.00152 -0.00403 -0.00573 -0.00007 108 8D-1 -0.00532 -0.00187 -0.00009 0.00592 -0.00005 109 8D+2 -0.00507 0.00199 -0.00001 0.00199 0.00098 110 8D-2 -0.00581 0.00175 0.00175 0.00027 -0.00060 111 6 Cu 1S 0.00045 0.00327 0.00054 -0.00476 0.00021 112 2S -0.01330 0.04162 -0.01989 -0.05221 -0.00321 113 3S -0.01582 0.13406 -0.17269 -0.13961 -0.01835 114 4PX 0.00522 0.00244 -0.00506 0.01676 0.00067 115 4PY 0.00210 -0.01528 0.02621 0.00435 0.00057 116 4PZ -0.00214 0.01461 0.00860 0.00306 0.00334 117 5PX -0.01462 -0.00773 0.03704 -0.03865 -0.00506 118 5PY -0.00270 0.06294 -0.11000 -0.03878 -0.01464 119 5PZ 0.01959 -0.01974 -0.03049 -0.00977 -0.01769 120 6PX 0.00096 -0.00807 -0.03659 0.05079 0.00362 121 6PY 0.01222 -0.00021 -0.02353 -0.01084 -0.00449 122 6PZ -0.02986 0.01939 -0.00053 -0.02107 0.02152 123 7D 0 0.00034 0.03826 -0.00285 0.00522 -0.00140 124 7D+1 -0.01502 -0.00870 -0.00575 0.01212 -0.00098 125 7D-1 -0.00419 0.04200 0.02105 0.00356 0.00539 126 7D+2 -0.00869 0.01593 -0.03002 -0.01487 -0.00266 127 7D-2 0.01368 0.00390 -0.01177 0.05455 -0.00031 128 8D 0 0.00156 0.01108 -0.00126 0.00325 -0.00050 129 8D+1 -0.00292 -0.00439 -0.00085 0.00178 0.00004 130 8D-1 0.00044 0.00700 0.00443 -0.00056 -0.00048 131 8D+2 -0.00238 0.00312 -0.00851 -0.00409 -0.00136 132 8D-2 0.00172 -0.00001 0.00071 0.00941 -0.00033 133 7 Cu 1S 0.00247 0.00185 -0.00023 0.00068 0.00087 134 2S 0.02983 0.02456 0.02488 0.05445 0.00418 135 3S 0.12034 0.08078 0.10822 0.28035 -0.05629 136 4PX -0.00439 -0.00594 -0.00501 -0.02518 0.00157 137 4PY -0.00351 0.00039 -0.01350 -0.01337 0.00110 138 4PZ 0.00795 0.00769 -0.00221 -0.00121 0.00360 139 5PX 0.04213 0.03930 0.05374 0.09576 -0.01956 140 5PY 0.02894 0.00196 0.00441 0.07807 -0.01307 141 5PZ 0.00331 -0.00003 0.01621 0.01867 -0.01966 142 6PX 0.01140 -0.01863 -0.01116 0.00050 0.00161 143 6PY -0.01288 0.03517 0.02027 -0.01359 -0.00615 144 6PZ 0.05589 0.01378 -0.00835 0.02388 -0.01411 145 7D 0 0.01283 0.01408 0.00294 0.00935 -0.00518 146 7D+1 0.02904 0.03787 -0.00274 -0.02038 0.00347 147 7D-1 0.03520 -0.00236 -0.01419 -0.00590 0.00457 148 7D+2 -0.00045 -0.01168 0.03787 -0.02992 0.00089 149 7D-2 -0.01320 -0.00113 -0.03448 -0.02771 0.00182 150 8D 0 0.00243 0.00432 0.00114 0.00200 -0.00169 151 8D+1 0.00520 0.01013 0.00053 -0.00374 -0.00061 152 8D-1 0.00864 -0.00358 -0.00415 -0.00043 0.00054 153 8D+2 -0.00029 -0.00125 0.00713 -0.00644 0.00028 154 8D-2 -0.00134 -0.00062 -0.00833 -0.00750 0.00052 155 8 Cu 1S 0.00458 0.00187 -0.00261 -0.00459 0.00046 156 2S 0.03716 0.00936 -0.01696 -0.03755 0.00399 157 3S 0.06165 -0.00078 -0.04694 -0.06191 0.00946 158 4PX 0.00180 0.00078 -0.00206 -0.00179 0.00042 159 4PY 0.00002 0.00152 0.00075 -0.00187 0.00069 160 4PZ -0.00192 -0.00158 0.00129 -0.00003 0.00127 161 5PX 0.00769 -0.00287 0.00214 -0.00813 -0.00050 162 5PY 0.00340 0.00411 -0.01323 0.00060 -0.00262 163 5PZ -0.00008 -0.00289 -0.00090 0.00359 -0.00583 164 6PX 0.00316 0.01739 -0.00134 -0.00201 0.00055 165 6PY 0.01707 -0.01914 -0.01059 0.01062 0.00082 166 6PZ 0.01181 0.01744 0.00933 0.01711 -0.00210 167 7D 0 -0.00629 -0.00266 -0.00214 -0.00011 0.00091 168 7D+1 -0.00424 -0.00547 0.00262 0.00755 -0.00379 169 7D-1 -0.00330 -0.00332 0.00876 0.00308 -0.00257 170 7D+2 0.00333 0.00507 -0.00023 -0.00695 -0.00089 171 7D-2 0.00757 0.00561 -0.00650 -0.00393 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0.00182 0.00840 -0.01254 -0.00272 -0.03225 186 10 O 1S 0.00412 0.00099 -0.00145 0.00006 -0.00164 187 2S -0.00725 -0.00110 0.00284 -0.00068 0.00183 188 3S -0.01326 -0.01217 0.01357 0.00157 0.02016 189 4PX 0.01439 -0.01110 0.00357 -0.00079 0.01824 190 4PY 0.01501 -0.01241 0.00596 -0.00116 0.00693 191 4PZ -0.02521 -0.00035 -0.00853 0.00157 -0.01398 192 5PX 0.00826 -0.00540 0.00409 -0.00689 0.00818 193 5PY 0.00363 -0.00368 0.00751 -0.00158 0.00066 194 5PZ -0.00819 -0.00090 -0.00325 0.00172 -0.00312 171 172 173 174 175 171 7D-2 1.50347 172 8D 0 -0.00005 0.16415 173 8D+1 -0.00062 0.00029 0.16634 174 8D-1 0.00026 0.00016 0.00038 0.16602 175 8D+2 0.00218 0.00037 -0.00074 -0.00015 0.16376 176 8D-2 0.49965 -0.00052 -0.00075 -0.00037 0.00075 177 9 C 1S -0.00661 -0.00078 0.00184 -0.00059 0.00120 178 2S 0.01348 0.00280 -0.00435 0.00263 -0.00437 179 3S 0.06158 -0.00100 -0.01863 -0.00040 0.00307 180 4PX -0.00388 0.00387 0.00121 -0.00057 -0.00663 181 4PY 0.01021 0.00522 -0.00268 0.00105 -0.00455 182 4PZ -0.01079 -0.00124 0.00175 -0.00104 0.00653 183 5PX 0.00527 0.00211 -0.00159 0.00624 -0.00307 184 5PY -0.01219 -0.00794 -0.00478 0.00140 0.00832 185 5PZ -0.01273 0.00276 -0.00417 -0.00105 -0.01067 186 10 O 1S 0.00161 0.00051 -0.00010 -0.00021 -0.00093 187 2S -0.00303 -0.00078 0.00015 0.00020 0.00144 188 3S -0.01571 -0.00420 0.00416 0.00089 0.00703 189 4PX -0.00482 -0.00310 0.00092 -0.00048 0.00501 190 4PY -0.00983 -0.00459 0.00097 -0.00026 0.00279 191 4PZ 0.00627 -0.00008 -0.00157 0.00043 -0.00521 192 5PX -0.00473 -0.00166 0.00112 -0.00257 0.00248 193 5PY -0.00463 -0.00132 0.00233 -0.00057 0.00020 194 5PZ 0.00770 -0.00040 -0.00075 0.00064 -0.00109 176 177 178 179 180 176 8D-2 0.16629 177 9 C 1S -0.00203 2.09473 178 2S 0.00486 -0.19934 0.51453 179 3S 0.02001 -0.20377 0.39546 0.43922 180 4PX -0.00100 0.01851 -0.02766 -0.10593 0.39213 181 4PY 0.00246 -0.03737 0.05596 0.21374 -0.08221 182 4PZ -0.00287 0.03402 -0.05069 -0.19484 0.07495 183 5PX 0.00177 0.01668 -0.03108 -0.02527 0.05488 184 5PY -0.00403 -0.03363 0.06288 0.05110 0.01562 185 5PZ -0.00433 0.03068 -0.05703 -0.04633 -0.01450 186 10 O 1S 0.00013 0.01210 -0.01194 0.04416 -0.02509 187 2S -0.00017 -0.01939 0.01138 -0.10201 0.06207 188 3S -0.00484 0.01808 -0.09356 -0.10868 -0.00882 189 4PX -0.00129 0.03761 -0.09670 -0.00014 0.34465 190 4PY -0.00191 -0.07593 0.19527 -0.00039 0.25310 191 4PZ 0.00114 0.06924 -0.17794 -0.00107 -0.23060 192 5PX -0.00132 0.00560 -0.01430 -0.00007 0.14015 193 5PY -0.00120 -0.01135 0.02891 -0.00012 0.06115 194 5PZ 0.00241 0.01032 -0.02634 -0.00051 -0.05570 181 182 183 184 185 181 4PY 0.51722 182 4PZ -0.15122 0.48928 183 5PX 0.01568 -0.01446 0.01764 184 5PY 0.03097 0.02892 -0.00215 0.02085 185 5PZ 0.02912 0.03618 0.00185 -0.00383 0.02010 186 10 O 1S 0.05064 -0.04618 0.00212 -0.00433 0.00390 187 2S -0.12527 0.11419 -0.00048 0.00103 -0.00090 188 3S 0.01779 -0.01620 0.00696 -0.01394 0.01283 189 4PX 0.25309 -0.23062 0.06206 -0.00183 0.00165 190 4PY -0.04074 0.46558 -0.00179 0.06455 -0.00326 191 4PZ 0.46551 0.04567 0.00168 -0.00341 0.06445 192 5PX 0.06118 -0.05570 0.01737 0.00204 -0.00185 193 5PY 0.04709 0.11244 0.00206 0.01418 0.00379 194 5PZ 0.11248 0.06789 -0.00182 0.00368 0.01506 186 187 188 189 190 186 10 O 1S 2.11860 187 2S -0.25907 0.60433 188 3S -0.24866 0.52377 0.54193 189 4PX -0.01337 0.02323 0.11024 0.84179 190 4PY 0.02699 -0.04693 -0.22244 -0.00387 0.84755 191 4PZ -0.02460 0.04272 0.20293 0.00345 -0.00701 192 5PX -0.01179 0.02831 0.03966 0.31087 0.04100 193 5PY 0.02380 -0.05715 -0.08000 0.04107 0.24836 194 5PZ -0.02171 0.05210 0.07305 -0.03743 0.07545 191 192 193 194 191 4PZ 0.84632 192 5PX -0.03748 0.12230 193 5PY 0.07567 0.02251 0.08804 194 5PZ 0.26231 -0.02056 0.04146 0.09563 Full Mulliken population analysis: 1 2 3 4 5 1 1 Cu 1S 2.01143 2 2S -0.00434 0.38666 3 3S 0.00207 0.17043 0.40060 4 4PX 0.00000 0.00000 0.00000 1.99191 5 4PY 0.00000 0.00000 0.00000 0.00000 1.99109 6 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 7 5PX 0.00000 0.00000 0.00000 0.00549 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0.00000 90 2S -0.00020 0.03104 0.03911 -0.00009 -0.00036 91 3S -0.00064 -0.01590 -0.07548 -0.00018 -0.00151 92 4PX 0.00000 -0.00015 -0.00009 0.00000 0.00000 93 4PY 0.00000 -0.00142 -0.00055 0.00000 0.00000 94 4PZ 0.00000 -0.00006 -0.00005 0.00000 0.00000 95 5PX -0.00001 0.00534 -0.00052 -0.00007 0.00004 96 5PY -0.00035 0.05119 0.00265 -0.00019 0.00004 97 5PZ 0.00001 0.00197 -0.00066 -0.00005 0.00009 98 6PX -0.00001 -0.00397 -0.00653 -0.00007 0.00000 99 6PY 0.00003 -0.01391 -0.01616 -0.00001 0.00003 100 6PZ -0.00001 -0.00301 -0.00537 -0.00001 0.00003 101 7D 0 0.00000 0.00004 0.00005 0.00000 0.00000 102 7D+1 0.00000 0.00004 0.00004 0.00000 0.00000 103 7D-1 0.00000 0.00007 0.00013 0.00000 0.00000 104 7D+2 0.00000 0.00014 0.00013 0.00000 0.00000 105 7D-2 0.00000 0.00014 0.00019 0.00000 0.00000 106 8D 0 0.00000 0.00000 0.00019 0.00000 0.00000 107 8D+1 0.00000 0.00021 0.00019 0.00000 -0.00001 108 8D-1 0.00001 0.00029 0.00059 -0.00001 -0.00003 109 8D+2 -0.00001 0.00036 0.00063 -0.00005 0.00002 110 8D-2 0.00001 0.00050 0.00089 0.00001 -0.00004 111 6 Cu 1S 0.00000 0.00000 0.00001 0.00000 0.00000 112 2S 0.00000 -0.00150 0.00405 0.00000 0.00000 113 3S 0.00001 0.00425 0.01403 0.00000 0.00015 114 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 115 4PY 0.00000 0.00000 0.00006 0.00000 0.00000 116 4PZ 0.00000 0.00000 0.00015 0.00000 0.00000 117 5PX 0.00000 0.00005 -0.00001 0.00000 0.00000 118 5PY 0.00000 0.00194 0.00290 0.00000 0.00002 119 5PZ 0.00001 0.00224 0.00224 0.00000 0.00004 120 6PX 0.00000 -0.00006 0.00009 0.00002 0.00000 121 6PY 0.00001 0.00504 0.00671 0.00000 0.00003 122 6PZ 0.00007 0.00334 0.01106 0.00000 0.00003 123 7D 0 0.00000 0.00000 -0.00002 0.00000 0.00000 124 7D+1 0.00000 0.00000 -0.00001 0.00000 0.00000 125 7D-1 0.00000 -0.00002 -0.00032 0.00000 0.00000 126 7D+2 0.00000 -0.00001 0.00000 0.00000 0.00000 127 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 128 8D 0 0.00000 -0.00002 -0.00014 0.00000 0.00000 129 8D+1 0.00000 0.00000 -0.00004 0.00000 0.00000 130 8D-1 0.00000 -0.00022 -0.00182 0.00000 0.00000 131 8D+2 0.00000 -0.00009 0.00002 0.00000 0.00000 132 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000 133 7 Cu 1S 0.00000 0.00000 -0.00013 0.00000 0.00000 134 2S 0.00000 -0.00468 0.00091 0.00000 0.00000 135 3S 0.00008 -0.00928 -0.00684 0.00006 0.00005 136 4PX 0.00000 0.00000 0.00004 0.00000 0.00000 137 4PY 0.00000 0.00000 0.00005 0.00000 0.00000 138 4PZ 0.00000 -0.00001 0.00005 0.00000 0.00000 139 5PX 0.00000 0.00057 0.00204 0.00001 0.00000 140 5PY 0.00000 0.00011 -0.00001 0.00000 0.00001 141 5PZ 0.00000 0.00091 0.00342 0.00000 0.00000 142 6PX 0.00003 0.00221 0.00219 0.00001 0.00003 143 6PY -0.00001 0.00372 0.00211 0.00003 0.00004 144 6PZ 0.00005 0.00221 0.00271 0.00006 0.00004 145 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 146 7D+1 0.00000 -0.00001 -0.00006 0.00000 0.00000 147 7D-1 0.00000 -0.00001 -0.00008 0.00000 0.00000 148 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 149 7D-2 0.00000 -0.00001 -0.00005 0.00000 0.00000 150 8D 0 0.00000 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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 -0.00006 -0.00001 -0.00001 -0.00016 0.00002 178 2S 0.00078 0.00009 0.00007 0.00217 0.00008 179 3S 0.00264 0.00062 0.00051 0.00068 -0.00066 180 4PX -0.00001 0.00010 0.00008 -0.00025 -0.00037 181 4PY 0.00011 -0.00001 0.00016 -0.00027 0.00024 182 4PZ 0.00008 0.00016 -0.00001 -0.00021 -0.00014 183 5PX -0.00015 0.00013 0.00009 0.00006 0.00019 184 5PY 0.00001 0.00010 0.00016 -0.00016 0.00026 185 5PZ -0.00001 0.00017 0.00016 -0.00014 -0.00003 186 10 O 1S 0.00000 0.00000 0.00000 0.00006 0.00003 187 2S -0.00002 0.00000 0.00000 -0.00074 -0.00032 188 3S -0.00018 0.00002 0.00002 -0.00301 -0.00130 189 4PX 0.00006 -0.00001 -0.00001 0.00003 -0.00018 190 4PY 0.00001 0.00000 -0.00002 0.00027 -0.00006 191 4PZ 0.00000 -0.00002 0.00000 0.00023 0.00010 192 5PX 0.00024 -0.00004 -0.00003 -0.00007 -0.00057 193 5PY -0.00002 0.00001 -0.00006 0.00037 -0.00014 194 5PZ -0.00002 -0.00006 0.00001 0.00031 0.00013 166 167 168 169 170 166 6PZ 0.02687 167 7D 0 0.00000 1.48692 168 7D+1 0.00000 0.00000 1.50397 169 7D-1 0.00000 0.00000 0.00000 1.50936 170 7D+2 0.00000 0.00000 0.00000 0.00000 1.48444 171 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 172 8D 0 0.00000 0.14710 0.00000 0.00000 0.00000 173 8D+1 0.00000 0.00000 0.14885 0.00000 0.00000 174 8D-1 0.00000 0.00000 0.00000 0.14898 0.00000 175 8D+2 0.00000 0.00000 0.00000 0.00000 0.14679 176 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 177 9 C 1S 0.00002 0.00000 0.00000 0.00000 0.00000 178 2S 0.00002 0.00000 0.00000 0.00000 0.00000 179 3S -0.00062 0.00000 -0.00002 0.00000 0.00000 180 4PX -0.00030 0.00000 0.00000 0.00000 0.00000 181 4PY -0.00014 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00019 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00017 0.00001 0.00001 0.00002 0.00002 184 5PY -0.00002 0.00002 -0.00002 0.00000 0.00005 185 5PZ 0.00028 0.00001 0.00000 0.00000 0.00004 186 10 O 1S 0.00002 0.00000 0.00000 0.00000 0.00000 187 2S -0.00024 0.00000 0.00000 0.00000 0.00000 188 3S -0.00101 0.00000 0.00000 0.00000 0.00000 189 4PX -0.00015 0.00000 0.00000 0.00000 0.00000 190 4PY 0.00010 0.00000 0.00000 0.00000 0.00000 191 4PZ -0.00009 0.00000 0.00000 0.00000 0.00000 192 5PX -0.00048 0.00000 0.00000 0.00000 0.00000 193 5PY 0.00013 0.00000 0.00000 0.00000 0.00000 194 5PZ -0.00019 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 7D-2 1.50347 172 8D 0 0.00000 0.16415 173 8D+1 0.00000 0.00000 0.16634 174 8D-1 0.00000 0.00000 0.00000 0.16602 175 8D+2 0.00000 0.00000 0.00000 0.00000 0.16376 176 8D-2 0.14880 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 -0.00002 0.00001 -0.00023 0.00000 0.00004 180 4PX 0.00000 0.00001 0.00000 0.00000 0.00002 181 4PY 0.00000 0.00000 0.00000 0.00000 -0.00001 182 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 183 5PX 0.00002 0.00005 0.00007 0.00015 0.00011 184 5PY 0.00000 0.00008 -0.00011 0.00000 0.00030 185 5PZ -0.00002 0.00007 -0.00002 0.00000 0.00025 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 0.16629 177 9 C 1S 0.00000 2.09473 178 2S 0.00000 -0.04999 0.51453 179 3S -0.00028 -0.03671 0.31519 0.43922 180 4PX 0.00000 0.00000 0.00000 0.00000 0.39213 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 0.00009 0.00000 0.00000 0.00000 0.02957 184 5PY 0.00001 0.00000 0.00000 0.00000 0.00000 185 5PZ -0.00010 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 -0.00035 0.00251 -0.00061 187 2S 0.00000 -0.00027 0.00234 -0.03183 0.00789 188 3S 0.00000 0.00135 -0.03744 -0.06223 -0.00131 189 4PX 0.00000 -0.00064 0.00920 0.00001 0.03662 190 4PY 0.00000 -0.00259 0.03749 -0.00005 0.02842 191 4PZ 0.00000 -0.00215 0.03114 0.00012 0.02360 192 5PX 0.00000 -0.00031 0.00301 0.00001 0.04489 193 5PY 0.00000 -0.00128 0.01227 -0.00004 0.00787 194 5PZ 0.00000 -0.00106 0.01019 0.00017 0.00654 181 182 183 184 185 181 4PY 0.51722 182 4PZ 0.00000 0.48928 183 5PX 0.00000 0.00000 0.01764 184 5PY 0.01668 0.00000 0.00000 0.02085 185 5PZ 0.00000 0.01950 0.00000 0.00000 0.02010 186 10 O 1S -0.00249 -0.00207 0.00006 0.00024 0.00020 187 2S 0.03214 0.02670 -0.00007 -0.00029 -0.00023 188 3S -0.00535 -0.00444 0.00147 0.00596 0.00500 189 4PX 0.02842 0.02360 0.00998 -0.00008 -0.00006 190 4PY 0.00264 0.09618 -0.00008 0.00619 -0.00026 191 4PZ 0.09617 -0.00121 -0.00007 -0.00027 0.00712 192 5PX 0.00788 0.00654 0.00978 0.00022 0.00018 193 5PY 0.00585 0.02663 0.00022 0.00567 0.00075 194 5PZ 0.02664 0.01142 0.00018 0.00073 0.00657 186 187 188 189 190 186 10 O 1S 2.11860 187 2S -0.07072 0.60433 188 3S -0.04556 0.41413 0.54193 189 4PX 0.00000 0.00000 0.00000 0.84179 190 4PY 0.00000 0.00000 0.00000 0.00000 0.84755 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.15730 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.12567 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 191 4PZ 0.84632 192 5PX 0.00000 0.12230 193 5PY 0.00000 0.00000 0.08804 194 5PZ 0.13273 0.00000 0.00000 0.09563 Gross orbital populations: 1 1 1 Cu 1S 2.00549 2 2S 0.71744 3 3S 0.40380 4 4PX 1.99461 5 4PY 1.99440 6 4PZ 1.99452 7 5PX 0.06280 8 5PY 0.05778 9 5PZ 0.06496 10 6PX 0.01158 11 6PY -0.00311 12 6PZ 0.01527 13 7D 0 1.63589 14 7D+1 1.65174 15 7D-1 1.65821 16 7D+2 1.64314 17 7D-2 1.65414 18 8D 0 0.32577 19 8D+1 0.32479 20 8D-1 0.32285 21 8D+2 0.32425 22 8D-2 0.32296 23 2 Cu 1S 2.00381 24 2S 0.61625 25 3S -0.16066 26 4PX 1.99456 27 4PY 1.99493 28 4PZ 1.99493 29 5PX 0.14971 30 5PY 0.18888 31 5PZ 0.18754 32 6PX 0.01692 33 6PY 0.01018 34 6PZ 0.01019 35 7D 0 1.65263 36 7D+1 1.64282 37 7D-1 1.63145 38 7D+2 1.65295 39 7D-2 1.64415 40 8D 0 0.31618 41 8D+1 0.31896 42 8D-1 0.31938 43 8D+2 0.31564 44 8D-2 0.31866 45 3 Cu 1S 2.00554 46 2S 0.75603 47 3S 0.33801 48 4PX 1.99477 49 4PY 1.99458 50 4PZ 1.99460 51 5PX 0.04890 52 5PY 0.05604 53 5PZ 0.05491 54 6PX 0.00221 55 6PY 0.02765 56 6PZ 0.02395 57 7D 0 1.63433 58 7D+1 1.65536 59 7D-1 1.65209 60 7D+2 1.63892 61 7D-2 1.65364 62 8D 0 0.32453 63 8D+1 0.32234 64 8D-1 0.32358 65 8D+2 0.32404 66 8D-2 0.32258 67 4 Cu 1S 2.00381 68 2S 0.61628 69 3S -0.16092 70 4PX 1.99481 71 4PY 1.99465 72 4PZ 1.99496 73 5PX 0.17254 74 5PY 0.14870 75 5PZ 0.20510 76 6PX 0.01315 77 6PY 0.00201 78 6PZ 0.02184 79 7D 0 1.65582 80 7D+1 1.63685 81 7D-1 1.64000 82 7D+2 1.65225 83 7D-2 1.63902 84 8D 0 0.31524 85 8D+1 0.32015 86 8D-1 0.31942 87 8D+2 0.31585 88 8D-2 0.31812 89 5 Cu 1S 1.99711 90 2S 0.59978 91 3S -0.31609 92 4PX 1.99534 93 4PY 1.99558 94 4PZ 1.99553 95 5PX 0.29678 96 5PY 0.32662 97 5PZ 0.32024 98 6PX -0.04386 99 6PY 0.00703 100 6PZ -0.00224 101 7D 0 1.61601 102 7D+1 1.64105 103 7D-1 1.64347 104 7D+2 1.63214 105 7D-2 1.63726 106 8D 0 0.31019 107 8D+1 0.30541 108 8D-1 0.30025 109 8D+2 0.30691 110 8D-2 0.30582 111 6 Cu 1S 2.00549 112 2S 0.71713 113 3S 0.40434 114 4PX 1.99463 115 4PY 1.99452 116 4PZ 1.99437 117 5PX 0.06203 118 5PY 0.06458 119 5PZ 0.05934 120 6PX 0.00928 121 6PY 0.01362 122 6PZ 0.00078 123 7D 0 1.63956 124 7D+1 1.65521 125 7D-1 1.65823 126 7D+2 1.63878 127 7D-2 1.65143 128 8D 0 0.32430 129 8D+1 0.32294 130 8D-1 0.32307 131 8D+2 0.32568 132 8D-2 0.32471 133 7 Cu 1S 2.00381 134 2S 0.61583 135 3S -0.16089 136 4PX 1.99477 137 4PY 1.99501 138 4PZ 1.99463 139 5PX 0.16754 140 5PY 0.21086 141 5PZ 0.14715 142 6PX 0.01247 143 6PY 0.02228 144 6PZ 0.00216 145 7D 0 1.65539 146 7D+1 1.63900 147 7D-1 1.63879 148 7D+2 1.65348 149 7D-2 1.63752 150 8D 0 0.31475 151 8D+1 0.31825 152 8D-1 0.31953 153 8D+2 0.31642 154 8D-2 0.31991 155 8 Cu 1S 2.00549 156 2S 0.71726 157 3S 0.40405 158 4PX 1.99418 159 4PY 1.99467 160 4PZ 1.99467 161 5PX 0.06811 162 5PY 0.05864 163 5PZ 0.05894 164 6PX 0.02725 165 6PY -0.00222 166 6PZ -0.00128 167 7D 0 1.63804 168 7D+1 1.65500 169 7D-1 1.66006 170 7D+2 1.63554 171 7D-2 1.65453 172 8D 0 0.32521 173 8D+1 0.32387 174 8D-1 0.32267 175 8D+2 0.32496 176 8D-2 0.32392 177 9 C 1S 1.99857 178 2S 0.89023 179 3S 0.67648 180 4PX 0.59997 181 4PY 0.75204 182 4PZ 0.71828 183 5PX 0.08881 184 5PY 0.06921 185 5PZ 0.07373 186 10 O 1S 1.99922 187 2S 0.99041 188 3S 0.83844 189 4PX 1.10550 190 4PY 1.13764 191 4PZ 1.13052 192 5PX 0.34901 193 5PY 0.26785 194 5PZ 0.28587 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.126170 -0.108071 0.080977 -0.108218 -0.028699 0.088907 2 Cu -0.108071 19.344899 -0.092510 -0.016462 -0.230838 -0.107534 3 Cu 0.080977 -0.092510 19.071626 -0.092728 0.115554 0.081431 4 Cu -0.108218 -0.016462 -0.092728 19.345900 -0.232255 0.037414 5 Cu -0.028699 -0.230838 0.115554 -0.232255 19.345239 -0.028903 6 Cu 0.088907 -0.107534 0.081431 0.037414 -0.028903 19.126891 7 Cu 0.039096 -0.018099 -0.093277 -0.017323 -0.228204 -0.108002 8 Cu 0.088619 0.038360 0.081246 -0.107431 -0.028674 0.089017 9 C 0.012782 0.011568 -0.003764 0.011845 0.144950 0.013554 10 O -0.008269 -0.001253 0.000039 -0.001096 0.042155 -0.008733 7 8 9 10 1 Cu 0.039096 0.088619 0.012782 -0.008269 2 Cu -0.018099 0.038360 0.011568 -0.001253 3 Cu -0.093277 0.081246 -0.003764 0.000039 4 Cu -0.017323 -0.107431 0.011845 -0.001096 5 Cu -0.228204 -0.028674 0.144950 0.042155 6 Cu -0.108002 0.089017 0.013554 -0.008733 7 Cu 19.342628 -0.108085 0.011266 -0.001332 8 Cu -0.108085 19.125901 0.013122 -0.008493 9 C 0.011266 0.013122 5.094167 0.557836 10 O -0.001332 -0.008493 0.557836 7.533603 Mulliken atomic charges: 1 1 Cu -0.183295 2 Cu 0.179939 3 Cu -0.148596 4 Cu 0.180354 5 Cu 0.129676 6 Cu -0.184043 7 Cu 0.181331 8 Cu -0.183583 9 C 0.132674 10 O -0.104457 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.183295 2 Cu 0.179939 3 Cu -0.148596 4 Cu 0.180354 5 Cu 0.129676 6 Cu -0.184043 7 Cu 0.181331 8 Cu -0.183583 9 C 0.132674 10 O -0.104457 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu -0.063606 2 Cu 0.090125 3 Cu -0.125847 4 Cu 0.090050 5 Cu -0.073516 6 Cu -0.065528 7 Cu 0.090437 8 Cu -0.064780 9 C 0.982927 10 O -0.860261 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.063606 2 Cu 0.090125 3 Cu -0.125847 4 Cu 0.090050 5 Cu -0.073516 6 Cu -0.065528 7 Cu 0.090437 8 Cu -0.064780 9 C 0.982927 10 O -0.860261 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3730.1198 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.1794 Y= -0.3498 Z= 0.3415 Tot= 0.5207 Quadrupole moment (field-independent basis, Debye-Ang): XX= -112.7607 YY= -115.1117 ZZ= -115.0347 XY= 1.7619 XZ= -1.6974 YZ= 3.2465 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.5416 YY= -0.8093 ZZ= -0.7323 XY= 1.7619 XZ= -1.6974 YZ= 3.2465 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -10.1217 YYY= 217.4143 ZZZ= -19.5398 XYY= -7.1386 XXY= 66.7232 XXZ= -2.2696 XZZ= -3.7235 YZZ= 79.5457 YYZ= -19.7755 XYZ= 14.3772 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1199.7753 YYYY= -1917.6531 ZZZZ= -1568.4833 XXXY= 157.6424 XXXZ= -141.1941 YYYX= 154.2796 YYYZ= 321.7333 ZZZX= -131.7906 ZZZY= 298.0840 XXYY= -500.4430 XXZZ= -446.5790 YYZZ= -594.0125 XXYZ= 97.5366 YYXZ= -81.2867 ZZXY= 68.1670 N-N= 2.114413887660D+03 E-N=-8.339100867248D+03 KE= 1.132176738794D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.27113 29.12426 2 O -10.35234 15.96894 3 O -4.34296 2.68614 4 O -4.30027 2.68357 5 O -4.30003 2.68881 6 O -4.29996 2.68871 7 O -4.28383 2.68765 8 O -4.28375 2.68764 9 O -4.28373 2.68764 10 O -4.27250 2.68790 11 O -2.85373 5.08049 12 O -2.84687 5.08657 13 O -2.84686 5.08663 14 O -2.80873 5.06574 15 O -2.80816 5.07553 16 O -2.80812 5.07562 17 O -2.80717 5.09504 18 O -2.80698 5.09461 19 O -2.80694 5.09473 20 O -2.80662 5.08066 21 O -2.80630 5.08938 22 O -2.80624 5.08907 23 O -2.79302 5.08590 24 O -2.79293 5.08591 25 O -2.79290 5.08583 26 O -2.79024 5.08835 27 O -2.79018 5.08934 28 O -2.79016 5.08834 29 O -2.79013 5.08926 30 O -2.79009 5.08977 31 O -2.79008 5.08983 32 O -2.78188 5.08612 33 O -2.77851 5.08973 34 O -2.77850 5.08973 35 O -1.18805 2.85779 36 O -0.58678 2.51745 37 O -0.48336 2.02809 38 O -0.48335 2.02798 39 O -0.47414 2.37083 40 O -0.35861 1.75912 41 O -0.33654 7.85912 42 O -0.33638 7.86213 43 O -0.32444 8.80195 44 O -0.32440 7.06086 45 O -0.32434 8.79524 46 O -0.32136 7.65906 47 O -0.30931 7.84806 48 O -0.30755 8.35542 49 O -0.30752 8.35554 50 O -0.29898 8.70210 51 O -0.29896 8.70159 52 O -0.29359 8.51131 53 O -0.29066 8.92663 54 O -0.28589 8.75513 55 O -0.28585 8.74664 56 O -0.28483 8.73823 57 O -0.28480 8.73717 58 O -0.27430 9.14545 59 O -0.27425 9.14734 60 O -0.26745 9.15979 61 O -0.26524 9.11789 62 O -0.26522 9.11728 63 O -0.26392 8.89771 64 O -0.26257 9.14462 65 O -0.26250 9.14328 66 O -0.26127 8.72713 67 O -0.25855 9.28239 68 O -0.25852 9.28118 69 O -0.25776 9.43508 70 O -0.25770 9.43501 71 O -0.25688 9.65108 72 O -0.25263 9.42253 73 O -0.25261 9.42133 74 O -0.25257 9.33122 75 O -0.24845 9.40388 76 O -0.24843 9.40394 77 O -0.24811 9.23069 78 O -0.24647 9.73746 79 O -0.24332 9.53285 80 O -0.24330 9.53315 81 O -0.20308 2.65240 82 O -0.20297 2.64922 83 O -0.18687 2.44359 84 V -0.08614 1.93998 85 V -0.08610 1.94018 86 V -0.07930 0.87688 87 V -0.07071 0.95199 88 V -0.07069 0.95097 89 V -0.04241 1.06578 90 V -0.03087 0.89568 91 V -0.03083 0.89840 92 V -0.00557 0.62326 93 V -0.00549 0.62236 94 V -0.00479 0.47267 95 V 0.01920 0.34199 96 V 0.02283 0.44299 97 V 0.02815 0.44384 98 V 0.02821 0.44235 99 V 0.03040 0.49100 100 V 0.03891 0.43894 101 V 0.04221 0.40167 102 V 0.04223 0.40131 103 V 0.04466 0.35615 104 V 0.04467 0.35636 105 V 0.04948 0.37694 106 V 0.04953 0.37824 107 V 0.06115 0.47128 108 V 0.06816 0.48789 109 V 0.07001 0.47594 110 V 0.07011 0.47483 111 V 0.08091 0.28950 112 V 0.08093 0.28921 113 V 0.08225 0.37722 114 V 0.08551 0.23684 115 V 0.08571 0.22767 116 V 0.08575 0.22732 117 V 0.10498 0.58472 118 V 0.10509 0.58658 119 V 0.10587 0.51849 120 V 0.10814 0.84772 121 V 0.11874 0.31672 122 V 0.11898 0.31764 123 V 0.15526 0.89607 124 V 0.15538 0.89651 125 V 0.19956 1.24170 126 V 0.21416 0.98710 127 V 0.22814 1.45948 128 V 0.22851 1.45966 129 V 0.24398 1.23378 130 V 0.24922 1.29376 131 V 0.24943 1.29754 132 V 0.25849 1.32655 133 V 0.28909 1.23628 134 V 0.28937 1.23106 135 V 0.30405 1.71788 136 V 0.32175 1.51330 137 V 0.32185 1.52032 138 V 0.34635 1.80838 139 V 0.39753 1.42876 140 V 0.39839 1.42751 141 V 0.53540 2.72321 142 V 0.64052 3.57813 143 V 0.65949 3.96184 144 V 0.66001 3.95254 145 V 0.67440 4.22445 146 V 0.67487 4.21377 147 V 0.67907 3.52209 148 V 0.69858 4.06314 149 V 0.70905 3.83645 150 V 0.70984 3.81924 151 V 0.74974 3.70165 152 V 0.75092 3.72251 153 V 0.79127 4.63689 154 V 0.79656 4.18877 155 V 0.79673 4.16649 156 V 0.83485 3.32091 157 V 0.86012 4.30731 158 V 0.86030 4.30711 159 V 0.86443 4.42784 160 V 0.86946 4.32978 161 V 0.87051 4.33593 162 V 0.88293 4.55812 163 V 0.88356 4.55528 164 V 0.89051 4.03315 165 V 0.93513 3.94981 166 V 0.99768 4.00246 167 V 1.05843 4.52533 168 V 1.05891 4.52328 169 V 1.06043 4.56859 170 V 1.06052 4.57120 171 V 1.08722 4.44296 172 V 1.17083 4.15028 173 V 1.17866 4.26558 174 V 1.17956 4.26643 175 V 1.23181 4.66380 176 V 1.23370 4.66607 177 V 1.28193 4.66793 178 V 1.31044 4.62614 179 V 1.31055 4.62707 180 V 1.31674 4.68144 181 V 1.31704 4.68125 182 V 1.32145 4.63540 183 V 1.33051 4.66540 184 V 1.33083 4.66567 185 V 1.35495 4.82053 186 V 1.52536 2.35004 187 V 1.64114 3.76587 188 V 1.84269 1.96669 189 V 1.84280 1.96607 190 V 2.02085 1.86725 191 V 2.30651 1.37279 192 V 2.31141 1.37709 193 V 3.66680 1.42303 194 V 11.93074 3.23283 Total kinetic energy from orbitals= 1.132176738794D+03 Exact polarizability: 277.800 -14.136 298.985 13.265 -26.398 295.375 Approx polarizability: 619.436 -25.883 658.237 24.361 -48.282 651.614 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:28:55 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 14:29:12 2008, MaxMem= 1258291200 cpu: 60.1 (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 14:29:12 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 14:32:22 2008, MaxMem= 1258291200 cpu: 750.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole = 7.05735439D-02-1.37609588D-01 1.34339091D-01 Polarizability= 2.77800200D+02-1.41358378D+01 2.98984926D+02 1.32652002D+01-2.63981184D+01 2.95375349D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000072132 0.000072176 0.000122714 2 29 -0.000015510 0.000019203 -0.000091471 3 29 -0.000019748 0.000031992 -0.000080769 4 29 -0.000053984 0.000027065 0.000020604 5 29 0.000015619 -0.000201440 -0.000031575 6 29 0.000040576 -0.000047684 0.000004993 7 29 0.000059095 0.000050720 0.000013941 8 29 -0.000052432 -0.000048499 0.000085883 9 6 -0.000015018 -0.000006755 0.000017506 10 8 -0.000030730 0.000103224 -0.000061825 ------------------------------------------------------------------- Cartesian Forces: Max 0.000201440 RMS 0.000065053 Force constants in Cartesian coordinates: 1 2 3 4 5 1 0.275807D-01 2 0.993775D-02 0.218465D-01 3 0.176554D-01 0.119295D-01 0.348107D-01 4 0.951409D-04 -0.483238D-03 -0.255341D-02 0.494030D-01 5 -0.927934D-03 -0.715744D-03 -0.452668D-02 0.339280D-02 0.423275D-01 6 -0.563003D-02 -0.636131D-02 -0.258847D-01 -0.344773D-02 0.444326D-02 7 -0.683763D-03 0.772450D-03 -0.512165D-03 -0.138039D-01 0.664772D-02 8 -0.190673D-03 0.797422D-03 -0.572559D-03 0.967171D-02 -0.504328D-02 9 -0.273953D-03 0.770131D-03 -0.102355D-02 -0.890030D-02 0.406579D-02 10 -0.222333D-01 -0.270486D-02 -0.121815D-01 -0.163351D-01 0.277422D-02 11 -0.379387D-03 0.329668D-03 -0.143631D-03 0.353031D-02 0.185229D-02 12 -0.957285D-02 -0.922936D-03 -0.449164D-02 0.158946D-01 -0.281407D-02 13 -0.284215D-02 -0.585350D-02 -0.197351D-02 0.520975D-03 -0.155308D-02 14 -0.797663D-02 -0.167385D-01 -0.707805D-02 -0.270341D-02 -0.578561D-02 15 -0.144181D-02 -0.412617D-02 -0.142833D-02 0.265774D-02 0.871611D-02 16 0.683576D-03 -0.700786D-03 -0.558246D-03 0.267258D-03 0.477811D-02 17 0.481454D-03 -0.851104D-03 -0.236960D-03 0.181152D-02 -0.255652D-01 18 0.673247D-03 -0.293637D-03 -0.879682D-03 0.334393D-03 -0.737571D-02 19 -0.187802D-02 0.363792D-05 -0.356138D-03 -0.172958D-01 -0.149138D-01 20 -0.923181D-04 -0.155906D-02 -0.145575D-03 -0.153974D-01 -0.445677D-02 21 -0.326770D-03 -0.544334D-05 -0.207468D-02 -0.384481D-02 -0.310089D-02 22 -0.873078D-03 -0.145817D-04 0.309229D-03 -0.174121D-02 -0.179683D-03 23 -0.554664D-03 -0.740647D-03 0.555958D-03 -0.304246D-03 -0.188602D-02 24 -0.108746D-02 -0.281352D-03 0.570244D-03 0.295844D-03 0.261598D-03 25 0.302504D-03 -0.230141D-02 0.636575D-03 -0.177618D-02 0.263571D-03 26 -0.587177D-03 -0.229249D-02 -0.191973D-03 0.599691D-03 -0.121920D-02 27 0.210411D-03 -0.255543D-02 0.119444D-02 -0.553686D-03 0.181384D-03 28 -0.151643D-03 0.134453D-02 -0.466312D-03 0.665812D-03 -0.281879D-03 29 0.289580D-03 -0.760292D-04 0.409929D-03 -0.117681D-03 0.492028D-03 30 -0.206228D-03 0.184661D-02 -0.792809D-03 0.117371D-03 0.149202D-03 6 7 8 9 10 6 0.430642D-01 7 -0.602482D-02 0.163508D-01 8 0.398976D-02 -0.101709D-01 0.322937D-01 9 -0.429557D-02 0.959958D-02 -0.194431D-01 0.301279D-01 10 0.154172D-01 -0.404391D-03 -0.185174D-03 -0.171561D-03 0.468476D-01 11 -0.328457D-02 0.433214D-03 -0.265563D-02 0.554196D-02 0.134287D-02 12 -0.560690D-02 -0.245372D-02 0.896857D-02 -0.207770D-01 -0.382771D-02 13 0.155621D-02 -0.247794D-02 -0.228246D-03 0.211099D-03 -0.200599D-02 14 0.876014D-02 -0.229495D-03 -0.212723D-02 -0.426337D-03 0.815300D-02 15 -0.526226D-02 0.210177D-03 -0.421695D-03 -0.220350D-02 -0.162391D-02 16 0.961451D-03 -0.680831D-03 0.279100D-03 0.228063D-03 -0.184645D-02 17 -0.548387D-02 0.520351D-03 -0.105325D-02 -0.673168D-03 0.340550D-03 18 -0.120251D-02 -0.693354D-03 0.702481D-03 0.820295D-03 0.123105D-04 19 -0.303852D-02 -0.314736D-03 -0.280394D-03 0.382987D-03 0.253893D-02 20 -0.262292D-02 0.212678D-02 -0.213522D-01 0.803182D-02 0.412270D-03 21 0.175008D-02 -0.211176D-03 0.467803D-02 -0.200064D-02 -0.572491D-03 22 0.171777D-03 0.675557D-03 0.156159D-03 -0.182703D-03 -0.604690D-02 23 0.263011D-03 -0.105180D-02 -0.793883D-03 0.356194D-03 -0.102537D-01 24 -0.187370D-02 0.980354D-03 0.324600D-03 -0.792356D-03 0.275592D-02 25 -0.237376D-03 0.268829D-02 0.132350D-02 -0.125357D-02 -0.100775D-02 26 0.138670D-03 0.132444D-02 0.736956D-03 0.248125D-02 -0.828957D-04 27 -0.117767D-02 -0.125875D-02 0.248961D-02 0.100140D-02 0.952818D-04 28 0.271787D-03 -0.134906D-02 -0.375113D-03 0.360361D-03 0.493302D-03 29 0.157833D-03 -0.372779D-03 -0.802554D-03 -0.704579D-03 0.203753D-03 30 0.489041D-03 0.363866D-03 -0.715724D-03 -0.856943D-03 0.963786D-04 11 12 13 14 15 11 0.433143D-01 12 0.581305D-02 0.454794D-01 13 0.789471D-02 -0.730518D-03 0.477148D-01 14 -0.930655D-02 0.171587D-02 -0.191389D-01 0.766110D-01 15 0.304251D-02 0.701395D-03 0.177270D-01 -0.354626D-01 0.707296D-01 16 0.313347D-03 0.106299D-03 -0.238893D-02 0.105456D-02 0.725086D-02 17 -0.208216D-02 -0.176222D-03 0.155283D-02 -0.106075D-02 -0.654397D-02 18 -0.325590D-04 -0.156757D-02 0.529385D-02 -0.358891D-02 -0.172965D-01 19 -0.267295D-03 -0.130700D-02 -0.214923D-02 0.196371D-02 -0.787071D-02 20 -0.104898D-01 -0.167922D-01 0.107701D-02 0.527971D-03 0.210769D-02 21 -0.166050D-01 -0.119888D-01 -0.769606D-02 0.340407D-02 -0.828068D-02 22 -0.130952D-01 0.208616D-02 -0.210861D-01 0.886244D-03 -0.349960D-03 23 -0.202417D-01 0.368535D-02 -0.172350D-02 0.138832D-03 -0.509294D-03 24 0.572024D-02 -0.465205D-03 0.217047D-02 -0.569397D-03 0.654277D-04 25 -0.331451D-05 -0.165788D-03 -0.183461D-01 0.138962D-01 -0.128363D-01 26 -0.106583D-02 0.513807D-03 0.139440D-01 -0.392125D-01 0.257983D-01 27 0.133795D-03 -0.208696D-02 -0.127852D-01 0.256221D-01 -0.351674D-01 28 0.230782D-03 -0.294764D-04 0.306063D-02 0.409473D-02 -0.372306D-02 29 0.345419D-03 0.880109D-05 0.402861D-02 -0.304660D-02 0.739919D-02 30 -0.185739D-03 0.803348D-03 -0.377338D-02 0.762315D-02 -0.185769D-02 16 17 18 19 20 16 0.263916D-01 17 -0.169061D-01 0.347971D-01 18 -0.101424D-01 0.128448D-01 0.231177D-01 19 -0.217786D-01 0.126387D-01 0.367818D-02 0.468373D-01 20 0.101270D-01 -0.509961D-02 -0.142866D-02 0.394256D-02 0.445481D-01 21 0.129642D-02 -0.657170D-03 0.175419D-03 -0.110933D-02 0.598926D-02 22 -0.824803D-03 -0.251321D-03 -0.691173D-05 -0.544261D-02 -0.238788D-02 23 0.108532D-02 0.533668D-03 -0.251502D-03 -0.289486D-02 -0.808186D-03 24 0.613326D-03 0.596716D-03 -0.739460D-03 0.975587D-02 0.436759D-02 25 0.359136D-03 -0.705092D-03 0.212717D-02 -0.993837D-03 0.154412D-03 26 -0.289914D-03 0.132544D-02 -0.248246D-02 -0.967691D-04 -0.212957D-02 27 0.526689D-03 -0.606416D-04 -0.249618D-02 0.691523D-04 0.487655D-03 28 -0.181961D-03 0.517105D-03 -0.127644D-02 0.476558D-03 0.375998D-04 29 0.259387D-03 -0.944185D-03 0.190620D-02 -0.954948D-04 0.819192D-03 30 -0.282424D-03 0.390513D-03 0.685129D-04 -0.204493D-03 0.536144D-05 21 22 23 24 25 21 0.435606D-01 22 0.126791D-01 0.377183D-01 23 0.634024D-02 0.148054D-01 0.235118D-01 24 -0.204491D-01 -0.146970D-01 -0.103398D-01 0.233762D-01 25 0.254245D-04 -0.321548D-02 0.107551D-02 -0.939746D-03 0.151649D+00 26 0.131959D-03 -0.106485D-02 0.128141D-02 -0.951682D-03 -0.249795D+00 27 -0.104118D-02 0.107427D-02 -0.983504D-03 0.118295D-02 0.227804D+00 28 -0.240288D-03 0.836375D-03 -0.183446D-03 0.152409D-03 -0.129660D+00 29 -0.175008D-03 0.114573D-02 -0.995223D-03 0.871507D-03 0.236092D+00 30 0.349094D-03 -0.108396D-02 0.883356D-03 -0.874974D-03 -0.215160D+00 26 27 28 29 30 26 0.531875D+00 27 -0.459808D+00 0.447296D+00 28 0.236049D+00 -0.215182D+00 0.125810D+00 29 -0.489299D+00 0.434493D+00 -0.241433D+00 0.493507D+00 30 0.434370D+00 -0.408705D+00 0.220133D+00 -0.444367D+00 0.411378D+00 Leave Link 716 at Fri Apr 11 14:32:22 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 D2Numr ... symmetry will not be used. Leave Link 106 at Fri Apr 11 14:32:23 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0019 0.0000 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2114.4138876600 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 14:32:23 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= 2742 LenP2D= 11498. 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= 614 NPtTot= 106390 NUsed= 110729 NTot= 110761 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 14:32:26 2008, MaxMem= 1258291200 cpu: 9.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2114.4210858445 hartrees. Leave Link 303 at Fri Apr 11 14:32:26 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. Leave Link 401 at Fri Apr 11 14:32:26 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. 110728 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234375. IEnd= 284411 IEndB= 284411 NGot=1258291200 MDV=1012634636 LenX=1012634636 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= -1682.75019526589 DIIS: error= 1.26D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.75019526589 IErMin= 1 ErrMin= 1.26D-03 ErrMax= 1.26D-03 EMaxC= 1.00D-01 BMatC= 9.62D-05 BMatP= 9.62D-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= 0.097 Goal= None Shift= 0.000 GapD= 0.097 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.23D-04 MaxDP=8.34D-03 OVMax= 4.17D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.75030005789 Delta-E= -0.000104792006 Rises=F Damp=T DIIS: error= 4.24D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.75030005789 IErMin= 2 ErrMin= 4.24D-04 ErrMax= 4.24D-04 EMaxC= 1.00D-01 BMatC= 6.57D-05 BMatP= 9.62D-05 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.24D-03 Coeff-Com: 0.434D+00 0.566D+00 Coeff-En: 0.383D+00 0.617D+00 Coeff: 0.434D+00 0.566D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=2.12D-04 MaxDP=3.20D-03 DE=-1.05D-04 OVMax= 1.72D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.75063085872 Delta-E= -0.000330800828 Rises=F Damp=F DIIS: error= 3.00D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.75063085872 IErMin= 3 ErrMin= 3.00D-04 ErrMax= 3.00D-04 EMaxC= 1.00D-01 BMatC= 5.72D-05 BMatP= 6.57D-05 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.00D-03 Coeff-Com: 0.269D+00 0.368D+00 0.363D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.268D+00 0.367D+00 0.365D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=6.05D-05 MaxDP=7.82D-04 DE=-3.31D-04 OVMax= 3.12D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.75068819250 Delta-E= -0.000057333775 Rises=F Damp=F DIIS: error= 5.56D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.75068819250 IErMin= 4 ErrMin= 5.56D-05 ErrMax= 5.56D-05 EMaxC= 1.00D-01 BMatC= 1.48D-06 BMatP= 5.72D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.861D-01 0.591D-01 0.107D+00 0.748D+00 Coeff: 0.861D-01 0.591D-01 0.107D+00 0.748D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=2.67D-05 MaxDP=4.73D-04 DE=-5.73D-05 OVMax= 6.76D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.75068973976 Delta-E= -0.000001547262 Rises=F Damp=F DIIS: error= 5.33D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.75068973976 IErMin= 5 ErrMin= 5.33D-05 ErrMax= 5.33D-05 EMaxC= 1.00D-01 BMatC= 1.23D-06 BMatP= 1.48D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.271D-01-0.418D-02 0.939D-02 0.495D+00 0.473D+00 Coeff: 0.271D-01-0.418D-02 0.939D-02 0.495D+00 0.473D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=1.21D-05 MaxDP=2.48D-04 DE=-1.55D-06 OVMax= 2.18D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.75069035496 Delta-E= -0.000000615198 Rises=F Damp=F DIIS: error= 2.30D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.75069035496 IErMin= 6 ErrMin= 2.30D-05 ErrMax= 2.30D-05 EMaxC= 1.00D-01 BMatC= 3.28D-07 BMatP= 1.23D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.209D-03-0.108D-01-0.261D-01 0.109D+00 0.380D+00 0.548D+00 Coeff: -0.209D-03-0.108D-01-0.261D-01 0.109D+00 0.380D+00 0.548D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=5.56D-06 MaxDP=1.02D-04 DE=-6.15D-07 OVMax= 1.76D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.75069062457 Delta-E= -0.000000269612 Rises=F Damp=F DIIS: error= 4.27D-06 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.75069062457 IErMin= 7 ErrMin= 4.27D-06 ErrMax= 4.27D-06 EMaxC= 1.00D-01 BMatC= 8.42D-09 BMatP= 3.28D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.648D-03-0.587D-02-0.141D-01 0.407D-01 0.197D+00 0.312D+00 Coeff-Com: 0.471D+00 Coeff: -0.648D-03-0.587D-02-0.141D-01 0.407D-01 0.197D+00 0.312D+00 Coeff: 0.471D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=1.04D-06 MaxDP=1.64D-05 DE=-2.70D-07 OVMax= 5.41D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.75069063414 Delta-E= -0.000000009572 Rises=F Damp=F DIIS: error= 1.87D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.75069063414 IErMin= 8 ErrMin= 1.87D-06 ErrMax= 1.87D-06 EMaxC= 1.00D-01 BMatC= 1.89D-09 BMatP= 8.42D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.342D-03-0.190D-02-0.423D-02 0.302D-02 0.574D-01 0.108D+00 Coeff-Com: 0.320D+00 0.518D+00 Coeff: -0.342D-03-0.190D-02-0.423D-02 0.302D-02 0.574D-01 0.108D+00 Coeff: 0.320D+00 0.518D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=4.85D-07 MaxDP=9.15D-06 DE=-9.57D-09 OVMax= 1.42D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.75069063500 Delta-E= -0.000000000857 Rises=F Damp=F DIIS: error= 1.42D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.75069063500 IErMin= 9 ErrMin= 1.42D-06 ErrMax= 1.42D-06 EMaxC= 1.00D-01 BMatC= 1.01D-09 BMatP= 1.89D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.225D-03-0.697D-03-0.975D-03-0.450D-02 0.107D-01 0.291D-01 Coeff-Com: 0.159D+00 0.433D+00 0.375D+00 Coeff: -0.225D-03-0.697D-03-0.975D-03-0.450D-02 0.107D-01 0.291D-01 Coeff: 0.159D+00 0.433D+00 0.375D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=2.57D-07 MaxDP=5.59D-06 DE=-8.57D-10 OVMax= 1.07D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.75069063585 Delta-E= -0.000000000849 Rises=F Damp=F DIIS: error= 4.61D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.75069063585 IErMin=10 ErrMin= 4.61D-07 ErrMax= 4.61D-07 EMaxC= 1.00D-01 BMatC= 1.35D-10 BMatP= 1.01D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.468D-04 0.586D-04 0.537D-03-0.551D-02-0.848D-02-0.875D-02 Coeff-Com: 0.545D-01 0.222D+00 0.276D+00 0.469D+00 Coeff: -0.468D-04 0.586D-04 0.537D-03-0.551D-02-0.848D-02-0.875D-02 Coeff: 0.545D-01 0.222D+00 0.276D+00 0.469D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=9.51D-08 MaxDP=1.62D-06 DE=-8.49D-10 OVMax= 2.50D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.75069063594 Delta-E= -0.000000000094 Rises=F Damp=F DIIS: error= 2.34D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.75069063594 IErMin=11 ErrMin= 2.34D-07 ErrMax= 2.34D-07 EMaxC= 1.00D-01 BMatC= 2.66D-11 BMatP= 1.35D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.358D-05 0.125D-03 0.376D-03-0.243D-02-0.573D-02-0.947D-02 Coeff-Com: 0.114D-01 0.570D-01 0.105D+00 0.347D+00 0.496D+00 Coeff: 0.358D-05 0.125D-03 0.376D-03-0.243D-02-0.573D-02-0.947D-02 Coeff: 0.114D-01 0.570D-01 0.105D+00 0.347D+00 0.496D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=7.00D-08 MaxDP=1.48D-06 DE=-9.37D-11 OVMax= 3.42D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.75069063596 Delta-E= -0.000000000022 Rises=F Damp=F DIIS: error= 1.44D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.75069063596 IErMin=12 ErrMin= 1.44D-07 ErrMax= 1.44D-07 EMaxC= 1.00D-01 BMatC= 2.78D-12 BMatP= 2.66D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.934D-05 0.659D-04 0.122D-03-0.500D-03-0.201D-02-0.417D-02 Coeff-Com: -0.130D-02-0.547D-03 0.172D-01 0.115D+00 0.327D+00 0.549D+00 Coeff: 0.934D-05 0.659D-04 0.122D-03-0.500D-03-0.201D-02-0.417D-02 Coeff: -0.130D-02-0.547D-03 0.172D-01 0.115D+00 0.327D+00 0.549D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=3.12D-08 MaxDP=5.11D-07 DE=-2.23D-11 OVMax= 1.67D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.75069063597 Delta-E= -0.000000000009 Rises=F Damp=F DIIS: error= 5.02D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.75069063597 IErMin=13 ErrMin= 5.02D-08 ErrMax= 5.02D-08 EMaxC= 1.00D-01 BMatC= 6.63D-13 BMatP= 2.78D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.872D-05 0.391D-04 0.594D-04-0.134D-03-0.983D-03-0.211D-02 Coeff-Com: -0.193D-02-0.567D-02 0.609D-03 0.492D-01 0.181D+00 0.384D+00 Coeff-Com: 0.396D+00 Coeff: 0.872D-05 0.391D-04 0.594D-04-0.134D-03-0.983D-03-0.211D-02 Coeff: -0.193D-02-0.567D-02 0.609D-03 0.492D-01 0.181D+00 0.384D+00 Coeff: 0.396D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=8.97D-09 MaxDP=2.41D-07 DE=-9.09D-12 OVMax= 2.83D-07 SCF Done: E(RB+HF-LYP) = -1682.75069064 A.U. after 13 cycles Convg = 0.8973D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132181888643D+03 PE=-8.339104410429D+03 EE= 3.409750745305D+03 Leave Link 502 at Fri Apr 11 14:33:09 2008, MaxMem= 1258291200 cpu: 128.0 (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 0.11927465D+02 **** Warning!!: The smallest alpha delta epsilon is 0.99523696D-01 Leave Link 801 at Fri Apr 11 14:33:09 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= 2742 LenP2D= 11498. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 14:33:17 2008, MaxMem= 1258291200 cpu: 20.9 (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 14:33:18 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 14:34:27 2008, MaxMem= 1258291200 cpu: 268.3 (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. Inv2: IOpt= 1 Iter= 1 AM= 6.52D-16 Conv= 1.00D-12. Inverted reduced A of dimension 51 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.277121D+03 2 -0.138903D+02 0.299080D+03 3 0.131411D+02 -0.250511D+02 0.295583D+03 Isotropic polarizability for W= 0.000000 290.59 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:35:44 2008, MaxMem= 1258291200 cpu: 244.7 (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 -- -19.27230 -10.35357 -4.34340 -4.30038 -4.29986 Alpha occ. eigenvalues -- -4.29967 -4.28414 -4.28402 -4.28326 -4.27210 Alpha occ. eigenvalues -- -2.85420 -2.84729 -2.84725 -2.80868 -2.80822 Alpha occ. eigenvalues -- -2.80793 -2.80707 -2.80695 -2.80668 -2.80660 Alpha occ. eigenvalues -- -2.80617 -2.80597 -2.79333 -2.79321 -2.79244 Alpha occ. eigenvalues -- -2.79051 -2.79045 -2.79040 -2.79034 -2.78972 Alpha occ. eigenvalues -- -2.78965 -2.78149 -2.77813 -2.77811 -1.18953 Alpha occ. eigenvalues -- -0.58854 -0.48504 -0.48502 -0.47526 -0.35856 Alpha occ. eigenvalues -- -0.33682 -0.33656 -0.32476 -0.32466 -0.32453 Alpha occ. eigenvalues -- -0.32137 -0.30929 -0.30762 -0.30741 -0.29897 Alpha occ. eigenvalues -- -0.29886 -0.29356 -0.29064 -0.28593 -0.28574 Alpha occ. eigenvalues -- -0.28474 -0.28467 -0.27431 -0.27418 -0.26745 Alpha occ. eigenvalues -- -0.26537 -0.26515 -0.26393 -0.26270 -0.26232 Alpha occ. eigenvalues -- -0.26127 -0.25869 -0.25832 -0.25784 -0.25756 Alpha occ. eigenvalues -- -0.25682 -0.25283 -0.25251 -0.25241 -0.24824 Alpha occ. eigenvalues -- -0.24819 -0.24775 -0.24643 -0.24303 -0.24299 Alpha occ. eigenvalues -- -0.20341 -0.20278 -0.18648 Alpha virt. eigenvalues -- -0.08696 -0.08691 -0.07957 -0.07140 -0.07046 Alpha virt. eigenvalues -- -0.04112 -0.03156 -0.03076 -0.00744 -0.00584 Alpha virt. eigenvalues -- -0.00470 0.01710 0.02129 0.02595 0.02689 Alpha virt. eigenvalues -- 0.03189 0.03877 0.04013 0.04235 0.04269 Alpha virt. eigenvalues -- 0.04528 0.05031 0.05389 0.06229 0.07003 Alpha virt. eigenvalues -- 0.07059 0.07202 0.07802 0.07980 0.08356 Alpha virt. eigenvalues -- 0.08539 0.08664 0.08775 0.10601 0.10665 Alpha virt. eigenvalues -- 0.10788 0.11058 0.11955 0.12107 0.15484 Alpha virt. eigenvalues -- 0.15727 0.19831 0.21207 0.22831 0.22870 Alpha virt. eigenvalues -- 0.24425 0.24945 0.24970 0.25927 0.28745 Alpha virt. eigenvalues -- 0.29063 0.30478 0.32071 0.32398 0.34594 Alpha virt. eigenvalues -- 0.39585 0.39697 0.53324 0.64009 0.65878 Alpha virt. eigenvalues -- 0.65931 0.67445 0.67494 0.67774 0.69830 Alpha virt. eigenvalues -- 0.70902 0.71049 0.74863 0.74985 0.79125 Alpha virt. eigenvalues -- 0.79612 0.79637 0.83418 0.86045 0.86065 Alpha virt. eigenvalues -- 0.86443 0.86942 0.87043 0.88293 0.88362 Alpha virt. eigenvalues -- 0.89053 0.93488 0.99752 1.05833 1.05894 Alpha virt. eigenvalues -- 1.06059 1.06076 1.08710 1.17140 1.17803 Alpha virt. eigenvalues -- 1.18001 1.23183 1.23367 1.28197 1.31034 Alpha virt. eigenvalues -- 1.31048 1.31707 1.31756 1.32163 1.33064 Alpha virt. eigenvalues -- 1.33082 1.35481 1.52565 1.63956 1.84268 Alpha virt. eigenvalues -- 1.84314 2.02147 2.30665 2.31124 3.66713 Alpha virt. eigenvalues -- 11.92995 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.141555 -0.110313 0.081157 -0.104581 -0.031293 0.090085 2 Cu -0.110313 19.368840 -0.093552 -0.016108 -0.233811 -0.109802 3 Cu 0.081157 -0.093552 19.060228 -0.090025 0.114135 0.081565 4 Cu -0.104581 -0.016108 -0.090025 19.328687 -0.231985 0.037660 5 Cu -0.031293 -0.233811 0.114135 -0.231985 19.349674 -0.031361 6 Cu 0.090085 -0.109802 0.081565 0.037660 -0.031361 19.141393 7 Cu 0.039386 -0.017753 -0.090498 -0.017986 -0.227893 -0.104337 8 Cu 0.088646 0.037244 0.079455 -0.106010 -0.028095 0.089022 9 C 0.012696 0.011427 -0.003671 0.012047 0.146571 0.013463 10 O -0.008430 -0.001354 0.000033 -0.001133 0.042390 -0.008881 7 8 9 10 1 Cu 0.039386 0.088646 0.012696 -0.008430 2 Cu -0.017753 0.037244 0.011427 -0.001354 3 Cu -0.090498 0.079455 -0.003671 0.000033 4 Cu -0.017986 -0.106010 0.012047 -0.001133 5 Cu -0.227893 -0.028095 0.146571 0.042390 6 Cu -0.104337 0.089022 0.013463 -0.008881 7 Cu 19.324511 -0.106521 0.011468 -0.001368 8 Cu -0.106521 19.104414 0.012899 -0.008399 9 C 0.011468 0.012899 5.094916 0.556492 10 O -0.001368 -0.008399 0.556492 7.540420 Mulliken atomic charges: 1 1 Cu -0.198908 2 Cu 0.165181 3 Cu -0.138828 4 Cu 0.189435 5 Cu 0.131669 6 Cu -0.198809 7 Cu 0.190991 8 Cu -0.162653 9 C 0.131691 10 O -0.109770 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.198908 2 Cu 0.165181 3 Cu -0.138828 4 Cu 0.189435 5 Cu 0.131669 6 Cu -0.198809 7 Cu 0.190991 8 Cu -0.162653 9 C 0.131691 10 O -0.109770 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu -0.081612 2 Cu 0.084576 3 Cu -0.114339 4 Cu 0.095091 5 Cu -0.073306 6 Cu -0.082459 7 Cu 0.095740 8 Cu -0.038630 9 C 0.987479 10 O -0.872540 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.081612 2 Cu 0.084576 3 Cu -0.114339 4 Cu 0.095091 5 Cu -0.073306 6 Cu -0.082459 7 Cu 0.095740 8 Cu -0.038630 9 C 0.987479 10 O -0.872540 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3730.2129 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -1.1527 Y= -0.2824 Z= 0.2780 Tot= 1.2189 Quadrupole moment (field-independent basis, Debye-Ang): XX= -112.4326 YY= -115.3699 ZZ= -115.2300 XY= 2.5163 XZ= -1.7385 YZ= 2.9580 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.9116 YY= -1.0257 ZZ= -0.8858 XY= 2.5163 XZ= -1.7385 YZ= 2.9580 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -21.3518 YYY= 219.2303 ZZZ= -20.7583 XYY= -12.4308 XXY= 66.4735 XXZ= -2.2586 XZZ= -8.5624 YZZ= 80.5171 YYZ= -20.3368 XYZ= 14.8829 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1193.4830 YYYY= -1923.1339 ZZZZ= -1570.4410 XXXY= 164.8980 XXXZ= -142.6444 YYYX= 162.2255 YYYZ= 321.1578 ZZZX= -131.4742 ZZZY= 296.7121 XXYY= -500.3335 XXZZ= -446.8283 YYZZ= -596.9557 XXYZ= 94.0771 YYXZ= -81.7657 ZZXY= 70.7448 N-N= 2.114421085844D+03 E-N=-8.339104378046D+03 KE= 1.132181888643D+03 Exact polarizability: 277.121 -13.890 299.080 13.141 -25.051 295.583 Approx polarizability: 618.141 -26.069 659.463 24.681 -47.943 652.827 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:35:45 2008, MaxMem= 1258291200 cpu: 1.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-4.53490482D-01-1.11113153D-01 1.09371335D-01 Polarizability= 2.77121211D+02-1.38903043D+01 2.99080230D+02 1.31411298D+01-2.50510958D+01 2.95582810D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000191344 0.000009103 0.000099517 2 29 -0.000175122 0.000139731 -0.000206278 3 29 0.000241816 0.000082082 -0.000129337 4 29 -0.000167335 -0.000001266 -0.000049820 5 29 -0.000028448 -0.000403868 0.000155305 6 29 0.000165241 -0.000030529 0.000068470 7 29 -0.000049270 0.000119719 0.000046855 8 29 -0.000050246 -0.000149751 0.000187043 9 6 -0.000765504 0.001177534 -0.001058350 10 8 0.000637524 -0.000942757 0.000886594 ------------------------------------------------------------------- Cartesian Forces: Max 0.001177534 RMS 0.000436867 Leave Link 716 at Fri Apr 11 14:35:45 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=1 IStep= 1. Leave Link 106 at Fri Apr 11 14:35:45 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of -0.0019 0.0000 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2114.4138876600 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 14:35:46 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2742 LenP2D= 11498. 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= 614 NPtTot= 106390 NUsed= 110729 NTot= 110761 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 14:35:48 2008, MaxMem= 1258291200 cpu: 9.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2114.4066894755 hartrees. Leave Link 303 at Fri Apr 11 14:35:49 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 14:35:49 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. 110728 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234375. IEnd= 284411 IEndB= 284411 NGot=1258291200 MDV=1012634636 LenX=1012634636 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= -1682.75046199523 DIIS: error= 1.26D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.75046199523 IErMin= 1 ErrMin= 1.26D-03 ErrMax= 1.26D-03 EMaxC= 1.00D-01 BMatC= 9.62D-05 BMatP= 9.62D-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= 0.105 Goal= None Shift= 0.000 GapD= 0.105 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1. RMSDP=4.22D-04 MaxDP=7.96D-03 OVMax= 4.11D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.74977710875 Delta-E= 0.000684886477 Rises=F Damp=F DIIS: error= 2.14D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1682.75046199523 IErMin= 1 ErrMin= 1.26D-03 ErrMax= 2.14D-03 EMaxC= 1.00D-01 BMatC= 4.94D-04 BMatP= 9.62D-05 IDIUse=3 WtCom= 1.78D-01 WtEn= 8.22D-01 Coeff-Com: 0.716D+00 0.284D+00 Coeff-En: 0.691D+00 0.309D+00 Coeff: 0.695D+00 0.305D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=2.99D-04 MaxDP=4.87D-03 DE= 6.85D-04 OVMax= 1.84D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.75090248445 Delta-E= -0.001125375698 Rises=F Damp=F DIIS: error= 3.49D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.75090248445 IErMin= 3 ErrMin= 3.49D-04 ErrMax= 3.49D-04 EMaxC= 1.00D-01 BMatC= 7.27D-05 BMatP= 9.62D-05 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.49D-03 Coeff-Com: 0.454D+00 0.209D+00 0.337D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.452D+00 0.208D+00 0.340D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=6.40D-05 MaxDP=8.94D-04 DE=-1.13D-03 OVMax= 1.87D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.75095642769 Delta-E= -0.000053943245 Rises=F Damp=F DIIS: error= 5.81D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.75095642769 IErMin= 4 ErrMin= 5.81D-05 ErrMax= 5.81D-05 EMaxC= 1.00D-01 BMatC= 1.63D-06 BMatP= 7.27D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.118D+00 0.370D-01 0.105D+00 0.739D+00 Coeff: 0.118D+00 0.370D-01 0.105D+00 0.739D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=2.64D-05 MaxDP=4.66D-04 DE=-5.39D-05 OVMax= 7.24D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.75095801148 Delta-E= -0.000001583791 Rises=F Damp=F DIIS: error= 5.25D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.75095801148 IErMin= 5 ErrMin= 5.25D-05 ErrMax= 5.25D-05 EMaxC= 1.00D-01 BMatC= 1.41D-06 BMatP= 1.63D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.264D-01-0.209D-02 0.126D-01 0.506D+00 0.458D+00 Coeff: 0.264D-01-0.209D-02 0.126D-01 0.506D+00 0.458D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=1.23D-05 MaxDP=2.34D-04 DE=-1.58D-06 OVMax= 2.11D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.75095869221 Delta-E= -0.000000680723 Rises=F Damp=F DIIS: error= 2.07D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.75095869221 IErMin= 6 ErrMin= 2.07D-05 ErrMax= 2.07D-05 EMaxC= 1.00D-01 BMatC= 4.04D-07 BMatP= 1.41D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.381D-02-0.735D-02-0.218D-01 0.140D+00 0.384D+00 0.508D+00 Coeff: -0.381D-02-0.735D-02-0.218D-01 0.140D+00 0.384D+00 0.508D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=5.67D-06 MaxDP=8.11D-05 DE=-6.81D-07 OVMax= 1.68D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.75095898127 Delta-E= -0.000000289068 Rises=F Damp=F DIIS: error= 1.30D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.75095898127 IErMin= 7 ErrMin= 1.30D-05 ErrMax= 1.30D-05 EMaxC= 1.00D-01 BMatC= 7.06D-08 BMatP= 4.04D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.511D-02-0.570D-02-0.184D-01 0.651D-01 0.269D+00 0.399D+00 Coeff-Com: 0.296D+00 Coeff: -0.511D-02-0.570D-02-0.184D-01 0.651D-01 0.269D+00 0.399D+00 Coeff: 0.296D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=1.91D-06 MaxDP=3.65D-05 DE=-2.89D-07 OVMax= 5.70D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.75095903343 Delta-E= -0.000000052155 Rises=F Damp=F DIIS: error= 2.18D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.75095903343 IErMin= 8 ErrMin= 2.18D-06 ErrMax= 2.18D-06 EMaxC= 1.00D-01 BMatC= 3.64D-09 BMatP= 7.06D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.202D-02-0.213D-02-0.659D-02 0.142D-01 0.997D-01 0.160D+00 Coeff-Com: 0.201D+00 0.536D+00 Coeff: -0.202D-02-0.213D-02-0.659D-02 0.142D-01 0.997D-01 0.160D+00 Coeff: 0.201D+00 0.536D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=6.52D-07 MaxDP=1.00D-05 DE=-5.22D-08 OVMax= 3.53D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.75095903681 Delta-E= -0.000000003385 Rises=F Damp=F DIIS: error= 1.04D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.75095903681 IErMin= 9 ErrMin= 1.04D-06 ErrMax= 1.04D-06 EMaxC= 1.00D-01 BMatC= 5.60D-10 BMatP= 3.64D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.479D-03-0.325D-03-0.604D-03-0.594D-02 0.789D-02 0.208D-01 Coeff-Com: 0.693D-01 0.345D+00 0.565D+00 Coeff: -0.479D-03-0.325D-03-0.604D-03-0.594D-02 0.789D-02 0.208D-01 Coeff: 0.693D-01 0.345D+00 0.565D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=2.78D-07 MaxDP=5.11D-06 DE=-3.38D-09 OVMax= 1.37D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.75095903755 Delta-E= -0.000000000736 Rises=F Damp=F DIIS: error= 4.42D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.75095903755 IErMin=10 ErrMin= 4.42D-07 ErrMax= 4.42D-07 EMaxC= 1.00D-01 BMatC= 7.06D-11 BMatP= 5.60D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.144D-04 0.771D-04 0.475D-03-0.527D-02-0.787D-02-0.913D-02 Coeff-Com: 0.119D-01 0.152D+00 0.307D+00 0.551D+00 Coeff: -0.144D-04 0.771D-04 0.475D-03-0.527D-02-0.787D-02-0.913D-02 Coeff: 0.119D-01 0.152D+00 0.307D+00 0.551D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=1.04D-07 MaxDP=1.94D-06 DE=-7.36D-10 OVMax= 2.78D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.75095903761 Delta-E= -0.000000000061 Rises=F Damp=F DIIS: error= 2.73D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.75095903761 IErMin=11 ErrMin= 2.73D-07 ErrMax= 2.73D-07 EMaxC= 1.00D-01 BMatC= 2.65D-11 BMatP= 7.06D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.653D-04 0.944D-04 0.336D-03-0.242D-02-0.568D-02-0.876D-02 Coeff-Com: -0.380D-02 0.501D-01 0.928D-01 0.410D+00 0.467D+00 Coeff: 0.653D-04 0.944D-04 0.336D-03-0.242D-02-0.568D-02-0.876D-02 Coeff: -0.380D-02 0.501D-01 0.928D-01 0.410D+00 0.467D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=6.15D-08 MaxDP=1.55D-06 DE=-6.09D-11 OVMax= 2.95D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.75095903764 Delta-E= -0.000000000027 Rises=F Damp=F DIIS: error= 9.59D-08 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.75095903764 IErMin=12 ErrMin= 9.59D-08 ErrMax= 9.59D-08 EMaxC= 1.00D-01 BMatC= 1.49D-12 BMatP= 2.65D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.426D-04 0.393D-04 0.953D-04-0.363D-03-0.174D-02-0.326D-02 Coeff-Com: -0.331D-02 0.196D-02 0.119D-03 0.113D+00 0.255D+00 0.638D+00 Coeff: 0.426D-04 0.393D-04 0.953D-04-0.363D-03-0.174D-02-0.326D-02 Coeff: -0.331D-02 0.196D-02 0.119D-03 0.113D+00 0.255D+00 0.638D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=2.39D-08 MaxDP=5.43D-07 DE=-2.73D-11 OVMax= 1.28D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.75095903764 Delta-E= 0.000000000001 Rises=F Damp=F DIIS: error= 3.65D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=12 EnMin= -1682.75095903764 IErMin=13 ErrMin= 3.65D-08 ErrMax= 3.65D-08 EMaxC= 1.00D-01 BMatC= 3.84D-13 BMatP= 1.49D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.252D-04 0.206D-04 0.416D-04-0.882D-04-0.806D-03-0.151D-02 Coeff-Com: -0.192D-02-0.190D-02-0.661D-02 0.467D-01 0.133D+00 0.415D+00 Coeff-Com: 0.418D+00 Coeff: 0.252D-04 0.206D-04 0.416D-04-0.882D-04-0.806D-03-0.151D-02 Coeff: -0.192D-02-0.190D-02-0.661D-02 0.467D-01 0.133D+00 0.415D+00 Coeff: 0.418D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=8.13D-09 MaxDP=2.42D-07 DE= 1.36D-12 OVMax= 2.73D-07 SCF Done: E(RB+HF-LYP) = -1682.75095904 A.U. after 13 cycles Convg = 0.8126D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132173075999D+03 PE=-8.339062444146D+03 EE= 3.409731719633D+03 Leave Link 502 at Fri Apr 11 14:36:28 2008, MaxMem= 1258291200 cpu: 131.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.11928546D+02 Leave Link 801 at Fri Apr 11 14:36:29 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= 2742 LenP2D= 11498. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 14:36:36 2008, MaxMem= 1258291200 cpu: 20.9 (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 14:36:36 2008, MaxMem= 1258291200 cpu: 1.3 (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 14:38:01 2008, MaxMem= 1258291200 cpu: 268.6 (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. Inv2: IOpt= 1 Iter= 1 AM= 1.16D-15 Conv= 1.00D-12. Inverted reduced A of dimension 51 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.279935D+03 2 -0.142800D+02 0.299481D+03 3 0.133032D+02 -0.277232D+02 0.295772D+03 Isotropic polarizability for W= 0.000000 291.73 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:39:18 2008, MaxMem= 1258291200 cpu: 262.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27015 -10.35127 -4.34274 -4.30076 -4.30053 Alpha occ. eigenvalues -- -4.30008 -4.28445 -4.28375 -4.28367 -4.27313 Alpha occ. eigenvalues -- -2.85348 -2.84669 -2.84666 -2.80915 -2.80858 Alpha occ. eigenvalues -- -2.80845 -2.80759 -2.80734 -2.80718 -2.80705 Alpha occ. eigenvalues -- -2.80679 -2.80645 -2.79364 -2.79293 -2.79284 Alpha occ. eigenvalues -- -2.79082 -2.79076 -2.79019 -2.79013 -2.79011 Alpha occ. eigenvalues -- -2.79005 -2.78252 -2.77913 -2.77913 -1.18674 Alpha occ. eigenvalues -- -0.58520 -0.48186 -0.48185 -0.47319 -0.35891 Alpha occ. eigenvalues -- -0.33658 -0.33636 -0.32455 -0.32436 -0.32426 Alpha occ. eigenvalues -- -0.32156 -0.30961 -0.30791 -0.30769 -0.29934 Alpha occ. eigenvalues -- -0.29921 -0.29386 -0.29093 -0.28621 -0.28609 Alpha occ. eigenvalues -- -0.28522 -0.28511 -0.27463 -0.27446 -0.26771 Alpha occ. eigenvalues -- -0.26558 -0.26533 -0.26413 -0.26295 -0.26262 Alpha occ. eigenvalues -- -0.26154 -0.25890 -0.25862 -0.25811 -0.25787 Alpha occ. eigenvalues -- -0.25716 -0.25303 -0.25296 -0.25257 -0.24896 Alpha occ. eigenvalues -- -0.24886 -0.24869 -0.24671 -0.24385 -0.24384 Alpha occ. eigenvalues -- -0.20350 -0.20289 -0.18748 Alpha virt. eigenvalues -- -0.08562 -0.08557 -0.07976 -0.07118 -0.07042 Alpha virt. eigenvalues -- -0.04408 -0.03133 -0.03087 -0.00856 -0.00551 Alpha virt. eigenvalues -- -0.00485 0.01970 0.02162 0.02423 0.02885 Alpha virt. eigenvalues -- 0.02964 0.03776 0.04072 0.04118 0.04276 Alpha virt. eigenvalues -- 0.04517 0.04916 0.05013 0.05926 0.06720 Alpha virt. eigenvalues -- 0.07106 0.07136 0.07881 0.08174 0.08474 Alpha virt. eigenvalues -- 0.08550 0.08603 0.08615 0.10399 0.10490 Alpha virt. eigenvalues -- 0.10651 0.10795 0.11913 0.11944 0.15347 Alpha virt. eigenvalues -- 0.15605 0.20047 0.21626 0.22783 0.22824 Alpha virt. eigenvalues -- 0.24377 0.24893 0.24911 0.25745 0.28778 Alpha virt. eigenvalues -- 0.29092 0.30329 0.31948 0.32283 0.34672 Alpha virt. eigenvalues -- 0.39876 0.40010 0.53741 0.64072 0.65998 Alpha virt. eigenvalues -- 0.66053 0.67415 0.67460 0.68019 0.69880 Alpha virt. eigenvalues -- 0.70839 0.70958 0.75064 0.75183 0.79109 Alpha virt. eigenvalues -- 0.79675 0.79702 0.83535 0.85956 0.85975 Alpha virt. eigenvalues -- 0.86423 0.86934 0.87041 0.88270 0.88331 Alpha virt. eigenvalues -- 0.89031 0.93522 0.99765 1.05822 1.05868 Alpha virt. eigenvalues -- 1.06007 1.06012 1.08714 1.17003 1.17858 Alpha virt. eigenvalues -- 1.17954 1.23156 1.23352 1.28165 1.31029 Alpha virt. eigenvalues -- 1.31040 1.31620 1.31634 1.32111 1.33021 Alpha virt. eigenvalues -- 1.33071 1.35488 1.52488 1.64258 1.84228 Alpha virt. eigenvalues -- 1.84254 2.02009 2.30583 2.31194 3.66638 Alpha virt. eigenvalues -- 11.93140 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.110349 -0.105696 0.081268 -0.112063 -0.026530 0.087655 2 Cu -0.105696 19.322691 -0.091359 -0.017306 -0.228084 -0.105107 3 Cu 0.081268 -0.091359 19.081854 -0.095585 0.116902 0.081759 4 Cu -0.112063 -0.017306 -0.095585 19.363824 -0.232477 0.037279 5 Cu -0.026530 -0.228084 0.116902 -0.232477 19.341502 -0.026854 6 Cu 0.087655 -0.105107 0.081759 0.037279 -0.026854 19.111908 7 Cu 0.038956 -0.018979 -0.096201 -0.016661 -0.228494 -0.111853 8 Cu 0.089119 0.039975 0.082978 -0.109167 -0.029365 0.089526 9 C 0.012892 0.011568 -0.003868 0.011664 0.143204 0.013662 10 O -0.008110 -0.001137 0.000046 -0.001060 0.041933 -0.008585 7 8 9 10 1 Cu 0.038956 0.089119 0.012892 -0.008110 2 Cu -0.018979 0.039975 0.011568 -0.001137 3 Cu -0.096201 0.082978 -0.003868 0.000046 4 Cu -0.016661 -0.109167 0.011664 -0.001060 5 Cu -0.228494 -0.029365 0.143204 0.041933 6 Cu -0.111853 0.089526 0.013662 -0.008585 7 Cu 19.361520 -0.109964 0.011085 -0.001298 8 Cu -0.109964 19.146813 0.013500 -0.008594 9 C 0.011085 0.013500 5.093417 0.559197 10 O -0.001298 -0.008594 0.559197 7.526585 Mulliken atomic charges: 1 1 Cu -0.167842 2 Cu 0.193435 3 Cu -0.157794 4 Cu 0.171552 5 Cu 0.128264 6 Cu -0.169389 7 Cu 0.171888 8 Cu -0.204819 9 C 0.133681 10 O -0.098976 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.167842 2 Cu 0.193435 3 Cu -0.157794 4 Cu 0.171552 5 Cu 0.128264 6 Cu -0.169389 7 Cu 0.171888 8 Cu -0.204819 9 C 0.133681 10 O -0.098976 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu -0.045615 2 Cu 0.095362 3 Cu -0.137219 4 Cu 0.085085 5 Cu -0.073311 6 Cu -0.048566 7 Cu 0.085194 8 Cu -0.091282 9 C 0.977281 10 O -0.846930 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.045615 2 Cu 0.095362 3 Cu -0.137219 4 Cu 0.085085 5 Cu -0.073311 6 Cu -0.048566 7 Cu 0.085194 8 Cu -0.091282 9 C 0.977281 10 O -0.846930 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3730.2088 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 1.5182 Y= -0.4180 Z= 0.4053 Tot= 1.6260 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.2782 YY= -114.8796 ZZ= -114.8690 XY= 0.9883 XZ= -1.6430 YZ= 3.5242 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.0641 YY= -0.5373 ZZ= -0.5267 XY= 0.9883 XZ= -1.6430 YZ= 3.5242 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 1.2891 YYY= 215.6053 ZZZ= -18.2950 XYY= -1.7844 XXY= 67.0750 XXZ= -2.2876 XZZ= 1.1505 YZZ= 78.5581 YYZ= -19.1687 XYZ= 13.7748 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1210.2681 YYYY= -1912.7571 ZZZZ= -1567.1857 XXXY= 150.0253 XXXZ= -139.5224 YYYX= 146.1894 YYYZ= 322.1487 ZZZX= -132.0640 ZZZY= 299.3533 XXYY= -501.5516 XXZZ= -447.2898 YYZZ= -591.2367 XXYZ= 100.9953 YYXZ= -80.6589 ZZXY= 65.5202 N-N= 2.114406689476D+03 E-N=-8.339062466932D+03 KE= 1.132173075999D+03 Exact polarizability: 279.935 -14.280 299.481 13.303 -27.723 295.772 Approx polarizability: 622.866 -25.450 657.735 23.826 -48.579 651.150 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:39:19 2008, MaxMem= 1258291200 cpu: 1.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 5.97292018D-01-1.64471469D-01 1.59466889D-01 Polarizability= 2.79935372D+02-1.42799560D+01 2.99481445D+02 1.33031625D+01-2.77231893D+01 2.95771878D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000001863 0.000151933 0.000169886 2 29 0.000173870 -0.000084662 0.000006032 3 29 -0.000312374 -0.000002399 -0.000046628 4 29 0.000040786 0.000078904 0.000102848 5 29 0.000064461 0.000004319 -0.000222524 6 29 -0.000039097 -0.000087273 -0.000075382 7 29 0.000147658 -0.000029583 -0.000043195 8 29 -0.000144494 0.000030913 0.000006766 9 6 0.000775881 -0.001237715 0.001136370 10 8 -0.000708553 0.001175564 -0.001034171 ------------------------------------------------------------------- Cartesian Forces: Max 0.001237715 RMS 0.000472628 Leave Link 716 at Fri Apr 11 14:39:19 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=1 IStep= 2. Leave Link 106 at Fri Apr 11 14:39:19 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 2114.4138876600 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 14:39:20 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= 2742 LenP2D= 11498. 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= 614 NPtTot= 106390 NUsed= 110729 NTot= 110761 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 14:39:23 2008, MaxMem= 1258291200 cpu: 9.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2114.0629977553 hartrees. Leave Link 303 at Fri Apr 11 14:39:23 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 14:39:24 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. 110728 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234375. IEnd= 284411 IEndB= 284411 NGot=1258291200 MDV=1012634636 LenX=1012634636 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= -1682.75058867500 DIIS: error= 1.08D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.75058867500 IErMin= 1 ErrMin= 1.08D-03 ErrMax= 1.08D-03 EMaxC= 1.00D-01 BMatC= 1.02D-04 BMatP= 1.02D-04 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.08D-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=4.33D-04 MaxDP=6.88D-03 OVMax= 3.67D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.74991040010 Delta-E= 0.000678274902 Rises=F Damp=F DIIS: error= 1.83D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1682.75058867500 IErMin= 1 ErrMin= 1.08D-03 ErrMax= 1.83D-03 EMaxC= 1.00D-01 BMatC= 5.17D-04 BMatP= 1.02D-04 IDIUse=3 WtCom= 1.89D-01 WtEn= 8.11D-01 Coeff-Com: 0.717D+00 0.283D+00 Coeff-En: 0.683D+00 0.317D+00 Coeff: 0.689D+00 0.311D+00 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=3.04D-04 MaxDP=4.60D-03 DE= 6.78D-04 OVMax= 1.75D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.75106857627 Delta-E= -0.001158176176 Rises=F Damp=F DIIS: error= 4.08D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.75106857627 IErMin= 3 ErrMin= 4.08D-04 ErrMax= 4.08D-04 EMaxC= 1.00D-01 BMatC= 7.15D-05 BMatP= 1.02D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.08D-03 Coeff-Com: 0.440D+00 0.204D+00 0.356D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.438D+00 0.203D+00 0.358D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=7.08D-05 MaxDP=1.07D-03 DE=-1.16D-03 OVMax= 1.58D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.75111953896 Delta-E= -0.000050962688 Rises=F Damp=F DIIS: error= 7.27D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.75111953896 IErMin= 4 ErrMin= 7.27D-05 ErrMax= 7.27D-05 EMaxC= 1.00D-01 BMatC= 3.71D-06 BMatP= 7.15D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.119D+00 0.339D-01 0.165D+00 0.682D+00 Coeff: 0.119D+00 0.339D-01 0.165D+00 0.682D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.69D-05 MaxDP=4.23D-04 DE=-5.10D-05 OVMax= 8.81D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.75112269248 Delta-E= -0.000003153519 Rises=F Damp=F DIIS: error= 5.32D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.75112269248 IErMin= 5 ErrMin= 5.32D-05 ErrMax= 5.32D-05 EMaxC= 1.00D-01 BMatC= 1.62D-06 BMatP= 3.71D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.344D-01-0.129D-02 0.529D-01 0.465D+00 0.449D+00 Coeff: 0.344D-01-0.129D-02 0.529D-01 0.465D+00 0.449D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.26D-05 MaxDP=2.42D-04 DE=-3.15D-06 OVMax= 2.44D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.75112343267 Delta-E= -0.000000740195 Rises=F Damp=F DIIS: error= 3.22D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.75112343267 IErMin= 6 ErrMin= 3.22D-05 ErrMax= 3.22D-05 EMaxC= 1.00D-01 BMatC= 5.87D-07 BMatP= 1.62D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.249D-03-0.714D-02-0.120D-01 0.151D+00 0.407D+00 0.461D+00 Coeff: -0.249D-03-0.714D-02-0.120D-01 0.151D+00 0.407D+00 0.461D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.15D-06 MaxDP=1.10D-04 DE=-7.40D-07 OVMax= 1.64D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.75112386701 Delta-E= -0.000000434340 Rises=F Damp=F DIIS: error= 1.26D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.75112386701 IErMin= 7 ErrMin= 1.26D-05 ErrMax= 1.26D-05 EMaxC= 1.00D-01 BMatC= 8.59D-08 BMatP= 5.87D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.406D-02-0.550D-02-0.163D-01 0.605D-01 0.278D+00 0.354D+00 Coeff-Com: 0.334D+00 Coeff: -0.406D-02-0.550D-02-0.163D-01 0.605D-01 0.278D+00 0.354D+00 Coeff: 0.334D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.34D-06 MaxDP=3.92D-05 DE=-4.34D-07 OVMax= 7.04D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.75112392897 Delta-E= -0.000000061960 Rises=F Damp=F DIIS: error= 3.04D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.75112392897 IErMin= 8 ErrMin= 3.04D-06 ErrMax= 3.04D-06 EMaxC= 1.00D-01 BMatC= 6.72D-09 BMatP= 8.59D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.183D-02-0.203D-02-0.751D-02 0.113D-01 0.114D+00 0.148D+00 Coeff-Com: 0.237D+00 0.501D+00 Coeff: -0.183D-02-0.203D-02-0.751D-02 0.113D-01 0.114D+00 0.148D+00 Coeff: 0.237D+00 0.501D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.27D-07 MaxDP=1.64D-05 DE=-6.20D-08 OVMax= 4.03D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.75112393565 Delta-E= -0.000000006679 Rises=F Damp=F DIIS: error= 1.12D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.75112393565 IErMin= 9 ErrMin= 1.12D-06 ErrMax= 1.12D-06 EMaxC= 1.00D-01 BMatC= 7.06D-10 BMatP= 6.72D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.847D-03-0.547D-03-0.259D-02-0.453D-02 0.258D-01 0.373D-01 Coeff-Com: 0.953D-01 0.306D+00 0.545D+00 Coeff: -0.847D-03-0.547D-03-0.259D-02-0.453D-02 0.258D-01 0.373D-01 Coeff: 0.953D-01 0.306D+00 0.545D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.15D-07 MaxDP=5.82D-06 DE=-6.68D-09 OVMax= 1.26D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.75112393644 Delta-E= -0.000000000787 Rises=F Damp=F DIIS: error= 6.62D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.75112393644 IErMin=10 ErrMin= 6.62D-07 ErrMax= 6.62D-07 EMaxC= 1.00D-01 BMatC= 1.38D-10 BMatP= 7.06D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.199D-03 0.104D-04-0.267D-03-0.504D-02-0.434D-02-0.304D-02 Coeff-Com: 0.186D-01 0.128D+00 0.334D+00 0.532D+00 Coeff: -0.199D-03 0.104D-04-0.267D-03-0.504D-02-0.434D-02-0.304D-02 Coeff: 0.186D-01 0.128D+00 0.334D+00 0.532D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.45D-07 MaxDP=2.89D-06 DE=-7.87D-10 OVMax= 4.12D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.75112393653 Delta-E= -0.000000000092 Rises=F Damp=F DIIS: error= 3.69D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.75112393653 IErMin=11 ErrMin= 3.69D-07 ErrMax= 3.69D-07 EMaxC= 1.00D-01 BMatC= 3.90D-11 BMatP= 1.38D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.319D-05 0.629D-04 0.119D-03-0.209D-02-0.525D-02-0.620D-02 Coeff-Com: -0.277D-02 0.369D-01 0.852D-01 0.376D+00 0.518D+00 Coeff: -0.319D-05 0.629D-04 0.119D-03-0.209D-02-0.525D-02-0.620D-02 Coeff: -0.277D-02 0.369D-01 0.852D-01 0.376D+00 0.518D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.29D-08 MaxDP=2.06D-06 DE=-9.19D-11 OVMax= 4.70D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.75112393657 Delta-E= -0.000000000035 Rises=F Damp=F DIIS: error= 1.59D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.75112393657 IErMin=12 ErrMin= 1.59D-07 ErrMax= 1.59D-07 EMaxC= 1.00D-01 BMatC= 2.73D-12 BMatP= 3.90D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.402D-04 0.364D-04 0.125D-03-0.295D-03-0.232D-02-0.323D-02 Coeff-Com: -0.409D-02 0.220D-03-0.438D-02 0.121D+00 0.298D+00 0.595D+00 Coeff: 0.402D-04 0.364D-04 0.125D-03-0.295D-03-0.232D-02-0.323D-02 Coeff: -0.409D-02 0.220D-03-0.438D-02 0.121D+00 0.298D+00 0.595D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.34D-08 MaxDP=6.39D-07 DE=-3.46D-11 OVMax= 1.89D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.75112393658 Delta-E= -0.000000000011 Rises=F Damp=F DIIS: error= 6.20D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.75112393658 IErMin=13 ErrMin= 6.20D-08 ErrMax= 6.20D-08 EMaxC= 1.00D-01 BMatC= 1.06D-12 BMatP= 2.73D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.329D-04 0.242D-04 0.879D-04-0.816D-04-0.136D-02-0.190D-02 Coeff-Com: -0.271D-02-0.212D-02-0.104D-01 0.594D-01 0.179D+00 0.423D+00 Coeff-Com: 0.357D+00 Coeff: 0.329D-04 0.242D-04 0.879D-04-0.816D-04-0.136D-02-0.190D-02 Coeff: -0.271D-02-0.212D-02-0.104D-01 0.594D-01 0.179D+00 0.423D+00 Coeff: 0.357D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.06D-08 MaxDP=2.81D-07 DE=-1.09D-11 OVMax= 3.37D-07 Cycle 14 Pass 1 IDiag 1: E= -1682.75112393657 Delta-E= 0.000000000012 Rises=F Damp=F DIIS: error= 1.74D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=13 EnMin= -1682.75112393658 IErMin=14 ErrMin= 1.74D-08 ErrMax= 1.74D-08 EMaxC= 1.00D-01 BMatC= 7.96D-14 BMatP= 1.06D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.852D-05 0.340D-05 0.148D-04 0.734D-04-0.133D-03-0.143D-03 Coeff-Com: -0.736D-03-0.270D-02-0.682D-02-0.251D-02 0.253D-01 0.118D+00 Coeff-Com: 0.207D+00 0.662D+00 Coeff: 0.852D-05 0.340D-05 0.148D-04 0.734D-04-0.133D-03-0.143D-03 Coeff: -0.736D-03-0.270D-02-0.682D-02-0.251D-02 0.253D-01 0.118D+00 Coeff: 0.207D+00 0.662D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.52D-09 MaxDP=7.99D-08 DE= 1.18D-11 OVMax= 1.39D-07 SCF Done: E(RB+HF-LYP) = -1682.75112394 A.U. after 14 cycles Convg = 0.4521D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132168789378D+03 PE=-8.338705499570D+03 EE= 3.409722588500D+03 Leave Link 502 at Fri Apr 11 14:40:04 2008, MaxMem= 1258291200 cpu: 138.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.11929075D+02 Leave Link 801 at Fri Apr 11 14:40:04 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= 2742 LenP2D= 11498. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 14:40:11 2008, MaxMem= 1258291200 cpu: 21.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 10. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Fri Apr 11 14:40:12 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 14:41:21 2008, MaxMem= 1258291200 cpu: 267.6 (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. Inv2: IOpt= 1 Iter= 1 AM= 8.98D-16 Conv= 1.00D-12. Inverted reduced A of dimension 51 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.278293D+03 2 -0.143802D+02 0.301777D+03 3 0.145961D+02 -0.276051D+02 0.296805D+03 Isotropic polarizability for W= 0.000000 292.29 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:42:32 2008, MaxMem= 1258291200 cpu: 252.0 (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 -- -19.26701 -10.34804 -4.34039 -4.29897 -4.29874 Alpha occ. eigenvalues -- -4.29831 -4.28247 -4.28186 -4.28170 -4.27161 Alpha occ. eigenvalues -- -2.85109 -2.84437 -2.84434 -2.80736 -2.80678 Alpha occ. eigenvalues -- -2.80664 -2.80578 -2.80554 -2.80542 -2.80528 Alpha occ. eigenvalues -- -2.80502 -2.80468 -2.79165 -2.79103 -2.79087 Alpha occ. eigenvalues -- -2.78885 -2.78879 -2.78830 -2.78823 -2.78815 Alpha occ. eigenvalues -- -2.78810 -2.78100 -2.77760 -2.77759 -1.18328 Alpha occ. eigenvalues -- -0.58147 -0.47820 -0.47819 -0.47011 -0.35705 Alpha occ. eigenvalues -- -0.33449 -0.33418 -0.32258 -0.32215 -0.32203 Alpha occ. eigenvalues -- -0.31958 -0.30775 -0.30600 -0.30583 -0.29747 Alpha occ. eigenvalues -- -0.29737 -0.29198 -0.28906 -0.28435 -0.28421 Alpha occ. eigenvalues -- -0.28341 -0.28332 -0.27271 -0.27264 -0.26583 Alpha occ. eigenvalues -- -0.26365 -0.26343 -0.26220 -0.26106 -0.26073 Alpha occ. eigenvalues -- -0.25966 -0.25700 -0.25674 -0.25624 -0.25599 Alpha occ. eigenvalues -- -0.25531 -0.25117 -0.25110 -0.25064 -0.24724 Alpha occ. eigenvalues -- -0.24719 -0.24711 -0.24483 -0.24224 -0.24221 Alpha occ. eigenvalues -- -0.20152 -0.20092 -0.18595 Alpha virt. eigenvalues -- -0.08294 -0.08289 -0.07774 -0.06898 -0.06838 Alpha virt. eigenvalues -- -0.04360 -0.02922 -0.02888 -0.00586 -0.00406 Alpha virt. eigenvalues -- -0.00331 0.02359 0.02439 0.02674 0.02981 Alpha virt. eigenvalues -- 0.03028 0.03952 0.04177 0.04265 0.04526 Alpha virt. eigenvalues -- 0.04594 0.04987 0.05268 0.06070 0.06818 Alpha virt. eigenvalues -- 0.07213 0.07342 0.08161 0.08418 0.08693 Alpha virt. eigenvalues -- 0.08748 0.08765 0.08806 0.10511 0.10570 Alpha virt. eigenvalues -- 0.10776 0.10868 0.12066 0.12088 0.15522 Alpha virt. eigenvalues -- 0.15708 0.20340 0.22057 0.22952 0.23013 Alpha virt. eigenvalues -- 0.24553 0.25073 0.25088 0.25856 0.29040 Alpha virt. eigenvalues -- 0.29258 0.30462 0.32121 0.32392 0.34914 Alpha virt. eigenvalues -- 0.40222 0.40372 0.54153 0.64299 0.66260 Alpha virt. eigenvalues -- 0.66313 0.67600 0.67649 0.68331 0.70131 Alpha virt. eigenvalues -- 0.70984 0.71144 0.75361 0.75489 0.79302 Alpha virt. eigenvalues -- 0.79909 0.79948 0.83795 0.86117 0.86134 Alpha virt. eigenvalues -- 0.86613 0.87137 0.87238 0.88452 0.88528 Alpha virt. eigenvalues -- 0.89224 0.93745 0.99974 1.06006 1.06065 Alpha virt. eigenvalues -- 1.06183 1.06190 1.08918 1.17143 1.18017 Alpha virt. eigenvalues -- 1.18200 1.23358 1.23535 1.28352 1.31226 Alpha virt. eigenvalues -- 1.31238 1.31756 1.31801 1.32290 1.33215 Alpha virt. eigenvalues -- 1.33254 1.35694 1.52652 1.64613 1.84408 Alpha virt. eigenvalues -- 1.84436 2.02145 2.30930 2.31243 3.66805 Alpha virt. eigenvalues -- 11.93415 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.138167 -0.110087 0.083090 -0.111344 -0.027466 0.088859 2 Cu -0.110087 19.360577 -0.096320 -0.016202 -0.229944 -0.111529 3 Cu 0.083090 -0.096320 19.092694 -0.097284 0.118378 0.082538 4 Cu -0.111344 -0.016202 -0.097284 19.369050 -0.232008 0.037654 5 Cu -0.027466 -0.229944 0.118378 -0.232008 19.337532 -0.025447 6 Cu 0.088859 -0.111529 0.082538 0.037654 -0.025447 19.108391 7 Cu 0.040525 -0.018847 -0.094249 -0.017980 -0.225257 -0.107663 8 Cu 0.088822 0.038713 0.082565 -0.112050 -0.025626 0.087685 9 C 0.013254 0.011361 -0.003987 0.011601 0.141611 0.013812 10 O -0.008260 -0.001149 0.000053 -0.001007 0.041707 -0.008513 7 8 9 10 1 Cu 0.040525 0.088822 0.013254 -0.008260 2 Cu -0.018847 0.038713 0.011361 -0.001149 3 Cu -0.094249 0.082565 -0.003987 0.000053 4 Cu -0.017980 -0.112050 0.011601 -0.001007 5 Cu -0.225257 -0.025626 0.141611 0.041707 6 Cu -0.107663 0.087685 0.013812 -0.008513 7 Cu 19.330906 -0.107270 0.011137 -0.001168 8 Cu -0.107270 19.113536 0.013405 -0.008309 9 C 0.011137 0.013405 5.092828 0.560472 10 O -0.001168 -0.008309 0.560472 7.519765 Mulliken atomic charges: 1 1 Cu -0.195561 2 Cu 0.173428 3 Cu -0.167478 4 Cu 0.169569 5 Cu 0.126520 6 Cu -0.165788 7 Cu 0.189866 8 Cu -0.171471 9 C 0.134505 10 O -0.093590 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.195561 2 Cu 0.173428 3 Cu -0.167478 4 Cu 0.169569 5 Cu 0.126520 6 Cu -0.165788 7 Cu 0.189866 8 Cu -0.171471 9 C 0.134505 10 O -0.093590 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu -0.080076 2 Cu 0.085201 3 Cu -0.148837 4 Cu 0.083266 5 Cu -0.073281 6 Cu -0.044839 7 Cu 0.092500 8 Cu -0.051587 9 C 0.971993 10 O -0.834339 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.080076 2 Cu 0.085201 3 Cu -0.148837 4 Cu 0.083266 5 Cu -0.073281 6 Cu -0.044839 7 Cu 0.092500 8 Cu -0.051587 9 C 0.971993 10 O -0.834339 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3729.1084 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2478 Y= -1.7919 Z= 0.4711 Tot= 1.8693 Quadrupole moment (field-independent basis, Debye-Ang): XX= -112.6414 YY= -113.8737 ZZ= -115.0318 XY= 1.6276 XZ= -2.0169 YZ= 3.2825 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.2076 YY= -0.0247 ZZ= -1.1829 XY= 1.6276 XZ= -2.0169 YZ= 3.2825 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -10.3170 YYY= 203.1626 ZZZ= -17.8489 XYY= -5.3706 XXY= 61.8609 XXZ= -1.8581 XZZ= -2.8357 YZZ= 73.1634 YYZ= -17.5330 XYZ= 13.5234 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1198.4360 YYYY= -1895.4034 ZZZZ= -1569.6476 XXXY= 158.5211 XXXZ= -144.0946 YYYX= 150.4641 YYYZ= 320.0261 ZZZX= -133.7407 ZZZY= 298.1044 XXYY= -495.4066 XXZZ= -446.2704 YYZZ= -587.8754 XXYZ= 97.0999 YYXZ= -82.6763 ZZXY= 66.1420 N-N= 2.114062997755D+03 E-N=-8.338705484048D+03 KE= 1.132168789378D+03 Exact polarizability: 278.293 -14.380 301.777 14.596 -27.605 296.805 Approx polarizability: 620.288 -24.718 660.484 24.704 -47.134 651.720 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:42:33 2008, MaxMem= 1258291200 cpu: 1.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 9.75004597D-02-7.04986264D-01 1.85350316D-01 Polarizability= 2.78293215D+02-1.43801965D+01 3.01776571D+02 1.45960519D+01-2.76050767D+01 2.96805061D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000002918 0.000248709 0.000018891 2 29 0.000149234 -0.000145167 -0.000074227 3 29 0.000016443 0.000282225 -0.000012832 4 29 -0.000111994 -0.000071759 0.000184315 5 29 -0.000186604 0.000056183 -0.000402035 6 29 0.000078846 0.000044548 -0.000116361 7 29 0.000091671 -0.000263336 0.000102727 8 29 -0.000145489 0.000098802 0.000065330 9 6 0.001170419 -0.002593528 0.002194119 10 8 -0.001065443 0.002343323 -0.001959926 ------------------------------------------------------------------- Cartesian Forces: Max 0.002593528 RMS 0.000893789 Leave Link 716 at Fri Apr 11 14:42:33 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 14:42:33 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 2114.4138876600 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 14:42:34 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= 2742 LenP2D= 11498. 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= 614 NPtTot= 106390 NUsed= 110729 NTot= 110761 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 14:42:38 2008, MaxMem= 1258291200 cpu: 9.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2114.7647775647 hartrees. Leave Link 303 at Fri Apr 11 14:42:38 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 14:42:38 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. 110728 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234375. IEnd= 284411 IEndB= 284411 NGot=1258291200 MDV=1012634636 LenX=1012634636 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= -1682.75006858612 DIIS: error= 1.08D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.75006858612 IErMin= 1 ErrMin= 1.08D-03 ErrMax= 1.08D-03 EMaxC= 1.00D-01 BMatC= 1.02D-04 BMatP= 1.02D-04 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.08D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.093 Goal= None Shift= 0.000 GapD= 0.093 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.38D-04 MaxDP=6.29D-03 OVMax= 3.85D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.75018475746 Delta-E= -0.000116171339 Rises=F Damp=T DIIS: error= 3.63D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.75018475746 IErMin= 2 ErrMin= 3.63D-04 ErrMax= 3.63D-04 EMaxC= 1.00D-01 BMatC= 7.43D-05 BMatP= 1.02D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.63D-03 Coeff-Com: 0.443D+00 0.557D+00 Coeff-En: 0.377D+00 0.623D+00 Coeff: 0.443D+00 0.557D+00 Gap= 0.097 Goal= None Shift= 0.000 RMSDP=2.05D-04 MaxDP=3.50D-03 DE=-1.16D-04 OVMax= 1.66D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.75053941195 Delta-E= -0.000354654492 Rises=F Damp=F DIIS: error= 3.35D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.75053941195 IErMin= 3 ErrMin= 3.35D-04 ErrMax= 3.35D-04 EMaxC= 1.00D-01 BMatC= 5.16D-05 BMatP= 7.43D-05 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.35D-03 Coeff-Com: 0.274D+00 0.329D+00 0.397D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.273D+00 0.328D+00 0.399D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=6.54D-05 MaxDP=9.70D-04 DE=-3.55D-04 OVMax= 3.26D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.75059730054 Delta-E= -0.000057888584 Rises=F Damp=F DIIS: error= 7.36D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.75059730054 IErMin= 4 ErrMin= 7.36D-05 ErrMax= 7.36D-05 EMaxC= 1.00D-01 BMatC= 3.40D-06 BMatP= 5.16D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.999D-01 0.348D-01 0.177D+00 0.688D+00 Coeff: 0.999D-01 0.348D-01 0.177D+00 0.688D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=2.73D-05 MaxDP=4.32D-04 DE=-5.79D-05 OVMax= 8.16D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.75060040909 Delta-E= -0.000003108554 Rises=F Damp=F DIIS: error= 4.99D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.75060040909 IErMin= 5 ErrMin= 4.99D-05 ErrMax= 4.99D-05 EMaxC= 1.00D-01 BMatC= 1.18D-06 BMatP= 3.40D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.348D-01-0.116D-01 0.448D-01 0.431D+00 0.501D+00 Coeff: 0.348D-01-0.116D-01 0.448D-01 0.431D+00 0.501D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=1.20D-05 MaxDP=2.59D-04 DE=-3.11D-06 OVMax= 3.23D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.75060104591 Delta-E= -0.000000636816 Rises=F Damp=F DIIS: error= 3.17D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.75060104591 IErMin= 6 ErrMin= 3.17D-05 ErrMax= 3.17D-05 EMaxC= 1.00D-01 BMatC= 3.96D-07 BMatP= 1.18D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.336D-02-0.106D-01-0.173D-01 0.132D+00 0.413D+00 0.479D+00 Coeff: 0.336D-02-0.106D-01-0.173D-01 0.132D+00 0.413D+00 0.479D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=5.73D-06 MaxDP=9.47D-05 DE=-6.37D-07 OVMax= 1.58D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.75060135217 Delta-E= -0.000000306261 Rises=F Damp=F DIIS: error= 7.31D-06 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.75060135217 IErMin= 7 ErrMin= 7.31D-06 ErrMax= 7.31D-06 EMaxC= 1.00D-01 BMatC= 2.63D-08 BMatP= 3.96D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.360D-03-0.563D-02-0.147D-01 0.472D-01 0.232D+00 0.304D+00 Coeff-Com: 0.438D+00 Coeff: -0.360D-03-0.563D-02-0.147D-01 0.472D-01 0.232D+00 0.304D+00 Coeff: 0.438D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=1.57D-06 MaxDP=2.62D-05 DE=-3.06D-07 OVMax= 7.62D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.75060137863 Delta-E= -0.000000026459 Rises=F Damp=F DIIS: error= 3.67D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.75060137863 IErMin= 8 ErrMin= 3.67D-06 ErrMax= 3.67D-06 EMaxC= 1.00D-01 BMatC= 5.93D-09 BMatP= 2.63D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.654D-03-0.209D-02-0.829D-02 0.113D-01 0.110D+00 0.159D+00 Coeff-Com: 0.330D+00 0.401D+00 Coeff: -0.654D-03-0.209D-02-0.829D-02 0.113D-01 0.110D+00 0.159D+00 Coeff: 0.330D+00 0.401D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=7.04D-07 MaxDP=1.58D-05 DE=-2.65D-08 OVMax= 2.04D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.75060138215 Delta-E= -0.000000003525 Rises=F Damp=F DIIS: error= 1.86D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.75060138215 IErMin= 9 ErrMin= 1.86D-06 ErrMax= 1.86D-06 EMaxC= 1.00D-01 BMatC= 1.71D-09 BMatP= 5.93D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.631D-03-0.757D-03-0.363D-02-0.233D-02 0.347D-01 0.576D-01 Coeff-Com: 0.147D+00 0.340D+00 0.428D+00 Coeff: -0.631D-03-0.757D-03-0.363D-02-0.233D-02 0.347D-01 0.576D-01 Coeff: 0.147D+00 0.340D+00 0.428D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=3.50D-07 MaxDP=5.84D-06 DE=-3.52D-09 OVMax= 1.28D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.75060138365 Delta-E= -0.000000001500 Rises=F Damp=F DIIS: error= 6.40D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.75060138365 IErMin=10 ErrMin= 6.40D-07 ErrMax= 6.40D-07 EMaxC= 1.00D-01 BMatC= 1.75D-10 BMatP= 1.71D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.227D-03 0.813D-04-0.293D-03-0.531D-02-0.517D-02-0.117D-02 Coeff-Com: 0.282D-01 0.162D+00 0.281D+00 0.541D+00 Coeff: -0.227D-03 0.813D-04-0.293D-03-0.531D-02-0.517D-02-0.117D-02 Coeff: 0.282D-01 0.162D+00 0.281D+00 0.541D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=1.58D-07 MaxDP=2.71D-06 DE=-1.50D-09 OVMax= 5.06D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.75060138376 Delta-E= -0.000000000112 Rises=F Damp=F DIIS: error= 4.01D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.75060138376 IErMin=11 ErrMin= 4.01D-07 ErrMax= 4.01D-07 EMaxC= 1.00D-01 BMatC= 5.05D-11 BMatP= 1.75D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.717D-04 0.990D-04 0.110D-03-0.271D-02-0.602D-02-0.642D-02 Coeff-Com: 0.335D-02 0.519D-01 0.988D-01 0.397D+00 0.464D+00 Coeff: -0.717D-04 0.990D-04 0.110D-03-0.271D-02-0.602D-02-0.642D-02 Coeff: 0.335D-02 0.519D-01 0.988D-01 0.397D+00 0.464D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=8.81D-08 MaxDP=2.26D-06 DE=-1.12D-10 OVMax= 4.77D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.75060138382 Delta-E= -0.000000000058 Rises=F Damp=F DIIS: error= 1.62D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.75060138382 IErMin=12 ErrMin= 1.62D-07 ErrMax= 1.62D-07 EMaxC= 1.00D-01 BMatC= 2.78D-12 BMatP= 5.05D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.171D-04 0.390D-04 0.139D-03-0.308D-03-0.240D-02-0.360D-02 Coeff-Com: -0.290D-02-0.469D-02-0.155D-02 0.105D+00 0.252D+00 0.658D+00 Coeff: 0.171D-04 0.390D-04 0.139D-03-0.308D-03-0.240D-02-0.360D-02 Coeff: -0.290D-02-0.469D-02-0.155D-02 0.105D+00 0.252D+00 0.658D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=3.61D-08 MaxDP=6.43D-07 DE=-5.82D-11 OVMax= 2.13D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.75060138382 Delta-E= 0.000000000003 Rises=F Damp=F DIIS: error= 5.50D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=12 EnMin= -1682.75060138382 IErMin=13 ErrMin= 5.50D-08 ErrMax= 5.50D-08 EMaxC= 1.00D-01 BMatC= 1.10D-12 BMatP= 2.78D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.196D-04 0.278D-04 0.105D-03-0.930D-04-0.147D-02-0.226D-02 Coeff-Com: -0.225D-02-0.604D-02-0.790D-02 0.533D-01 0.154D+00 0.455D+00 Coeff-Com: 0.357D+00 Coeff: 0.196D-04 0.278D-04 0.105D-03-0.930D-04-0.147D-02-0.226D-02 Coeff: -0.225D-02-0.604D-02-0.790D-02 0.533D-01 0.154D+00 0.455D+00 Coeff: 0.357D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=1.19D-08 MaxDP=2.89D-07 DE= 2.73D-12 OVMax= 4.76D-07 Cycle 14 Pass 1 IDiag 1: E= -1682.75060138382 Delta-E= -0.000000000003 Rises=F Damp=F DIIS: error= 1.71D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=12 EnMin= -1682.75060138382 IErMin=14 ErrMin= 1.71D-08 ErrMax= 1.71D-08 EMaxC= 1.00D-01 BMatC= 1.03D-13 BMatP= 1.10D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.768D-05 0.482D-05 0.229D-04 0.676D-04-0.178D-03-0.317D-03 Coeff-Com: -0.108D-02-0.335D-02-0.639D-02-0.233D-02 0.232D-01 0.123D+00 Coeff-Com: 0.222D+00 0.645D+00 Coeff: 0.768D-05 0.482D-05 0.229D-04 0.676D-04-0.178D-03-0.317D-03 Coeff: -0.108D-02-0.335D-02-0.639D-02-0.233D-02 0.232D-01 0.123D+00 Coeff: 0.222D+00 0.645D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=5.17D-09 MaxDP=9.50D-08 DE=-2.73D-12 OVMax= 1.58D-07 SCF Done: E(RB+HF-LYP) = -1682.75060138 A.U. after 14 cycles Convg = 0.5174D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132186338064D+03 PE=-8.339461605656D+03 EE= 3.409759888643D+03 Leave Link 502 at Fri Apr 11 14:43:19 2008, MaxMem= 1258291200 cpu: 137.9 (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 0.11926935D+02 **** Warning!!: The smallest alpha delta epsilon is 0.98342356D-01 Leave Link 801 at Fri Apr 11 14:43:20 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= 2742 LenP2D= 11498. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 14:43:27 2008, MaxMem= 1258291200 cpu: 20.9 (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 14:43:28 2008, MaxMem= 1258291200 cpu: 1.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291118. G2DrvN: will do 11 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Fri Apr 11 14:44:35 2008, MaxMem= 1258291200 cpu: 267.2 (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. 3 vectors were produced by pass 16. Inv2: IOpt= 1 Iter= 1 AM= 7.11D-16 Conv= 1.00D-12. Inverted reduced A of dimension 51 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.277899D+03 2 -0.139758D+02 0.297593D+03 3 0.119227D+02 -0.251890D+02 0.294571D+03 Isotropic polarizability for W= 0.000000 290.02 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:45:50 2008, MaxMem= 1258291200 cpu: 263.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27537 -10.35671 -4.34575 -4.30203 -4.30169 Alpha occ. eigenvalues -- -4.30155 -4.28600 -4.28588 -4.28542 -4.27362 Alpha occ. eigenvalues -- -2.85659 -2.84960 -2.84958 -2.81043 -2.80994 Alpha occ. eigenvalues -- -2.80980 -2.80890 -2.80872 -2.80855 -2.80830 Alpha occ. eigenvalues -- -2.80796 -2.80783 -2.79519 -2.79507 -2.79461 Alpha occ. eigenvalues -- -2.79237 -2.79232 -2.79226 -2.79220 -2.79186 Alpha occ. eigenvalues -- -2.79179 -2.78301 -2.77966 -2.77965 -1.19291 Alpha occ. eigenvalues -- -0.59221 -0.48862 -0.48860 -0.47828 -0.36042 Alpha occ. eigenvalues -- -0.33884 -0.33881 -0.32697 -0.32689 -0.32660 Alpha occ. eigenvalues -- -0.32326 -0.31114 -0.30948 -0.30934 -0.30081 Alpha occ. eigenvalues -- -0.30073 -0.29544 -0.29253 -0.28777 -0.28766 Alpha occ. eigenvalues -- -0.28654 -0.28649 -0.27620 -0.27605 -0.26934 Alpha occ. eigenvalues -- -0.26727 -0.26710 -0.26587 -0.26451 -0.26430 Alpha occ. eigenvalues -- -0.26315 -0.26055 -0.26031 -0.25967 -0.25953 Alpha occ. eigenvalues -- -0.25868 -0.25474 -0.25437 -0.25434 -0.24992 Alpha occ. eigenvalues -- -0.24986 -0.24931 -0.24833 -0.24464 -0.24462 Alpha occ. eigenvalues -- -0.20525 -0.20490 -0.18803 Alpha virt. eigenvalues -- -0.08968 -0.08961 -0.08147 -0.07334 -0.07260 Alpha virt. eigenvalues -- -0.04177 -0.03354 -0.03291 -0.00906 -0.00789 Alpha virt. eigenvalues -- -0.00656 0.01393 0.01938 0.02424 0.02560 Alpha virt. eigenvalues -- 0.02979 0.03687 0.03750 0.04056 0.04171 Alpha virt. eigenvalues -- 0.04174 0.05049 0.05350 0.06247 0.06856 Alpha virt. eigenvalues -- 0.06895 0.06973 0.07623 0.07749 0.08038 Alpha virt. eigenvalues -- 0.08349 0.08490 0.08567 0.10496 0.10587 Alpha virt. eigenvalues -- 0.10656 0.10943 0.11794 0.11939 0.15366 Alpha virt. eigenvalues -- 0.15567 0.19501 0.20825 0.22650 0.22690 Alpha virt. eigenvalues -- 0.24242 0.24773 0.24792 0.25814 0.28550 Alpha virt. eigenvalues -- 0.28827 0.30349 0.31969 0.32211 0.34352 Alpha virt. eigenvalues -- 0.39271 0.39313 0.52912 0.63770 0.65613 Alpha virt. eigenvalues -- 0.65664 0.67258 0.67304 0.67447 0.69618 Alpha virt. eigenvalues -- 0.70803 0.70816 0.74567 0.74676 0.78931 Alpha virt. eigenvalues -- 0.79389 0.79397 0.83158 0.85887 0.85904 Alpha virt. eigenvalues -- 0.86252 0.86738 0.86844 0.88113 0.88165 Alpha virt. eigenvalues -- 0.88860 0.93268 0.99543 1.05657 1.05678 Alpha virt. eigenvalues -- 1.05886 1.05905 1.08506 1.17003 1.17681 Alpha virt. eigenvalues -- 1.17714 1.22981 1.23184 1.28010 1.30841 Alpha virt. eigenvalues -- 1.30846 1.31568 1.31590 1.31982 1.32868 Alpha virt. eigenvalues -- 1.32899 1.35275 1.52400 1.63606 1.84094 Alpha virt. eigenvalues -- 1.84124 2.02015 2.30361 2.31029 3.66546 Alpha virt. eigenvalues -- 11.92722 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.113252 -0.106203 0.078855 -0.105316 -0.029651 0.089380 2 Cu -0.106203 19.329727 -0.089026 -0.016775 -0.231915 -0.104020 3 Cu 0.078855 -0.089026 19.049739 -0.088537 0.112857 0.081159 4 Cu -0.105316 -0.016775 -0.088537 19.323691 -0.232912 0.037454 5 Cu -0.029651 -0.231915 0.112857 -0.232912 19.353737 -0.032802 6 Cu 0.089380 -0.104020 0.081159 0.037454 -0.032802 19.145429 7 Cu 0.037651 -0.017288 -0.092332 -0.016902 -0.231341 -0.108401 8 Cu 0.088790 0.037970 0.080600 -0.103156 -0.031956 0.090254 9 C 0.012384 0.011856 -0.003593 0.012206 0.148270 0.013316 10 O -0.008278 -0.001364 0.000028 -0.001196 0.042628 -0.008965 7 8 9 10 1 Cu 0.037651 0.088790 0.012384 -0.008278 2 Cu -0.017288 0.037970 0.011856 -0.001364 3 Cu -0.092332 0.080600 -0.003593 0.000028 4 Cu -0.016902 -0.103156 0.012206 -0.001196 5 Cu -0.231341 -0.031956 0.148270 0.042628 6 Cu -0.108401 0.090254 0.013316 -0.008965 7 Cu 19.355365 -0.108748 0.011280 -0.001482 8 Cu -0.108748 19.137896 0.012825 -0.008679 9 C 0.011280 0.012825 5.095718 0.555080 10 O -0.001482 -0.008679 0.555080 7.547441 Mulliken atomic charges: 1 1 Cu -0.170864 2 Cu 0.187040 3 Cu -0.129752 4 Cu 0.191445 5 Cu 0.133086 6 Cu -0.202804 7 Cu 0.172198 8 Cu -0.195796 9 C 0.130659 10 O -0.115213 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.170864 2 Cu 0.187040 3 Cu -0.129752 4 Cu 0.191445 5 Cu 0.133086 6 Cu -0.202804 7 Cu 0.172198 8 Cu -0.195796 9 C 0.130659 10 O -0.115213 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu -0.046884 2 Cu 0.095178 3 Cu -0.103218 4 Cu 0.096882 5 Cu -0.073181 6 Cu -0.086246 7 Cu 0.088224 8 Cu -0.077696 9 C 0.992054 10 O -0.885114 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.046884 2 Cu 0.095178 3 Cu -0.103218 4 Cu 0.096882 5 Cu -0.073181 6 Cu -0.086246 7 Cu 0.088224 8 Cu -0.077696 9 C 0.992054 10 O -0.885114 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3731.3174 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.1119 Y= 1.0824 Z= 0.2176 Tot= 1.1097 Quadrupole moment (field-independent basis, Debye-Ang): XX= -112.9138 YY= -116.5254 ZZ= -115.0789 XY= 1.9081 XZ= -1.3788 YZ= 3.2125 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.9256 YY= -1.6860 ZZ= -0.2396 XY= 1.9081 XZ= -1.3788 YZ= 3.2125 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -9.9046 YYY= 231.6592 ZZZ= -21.1253 XYY= -8.8670 XXY= 71.5710 XXZ= -2.6506 XZZ= -4.5942 YZZ= 85.8408 YYZ= -21.8420 XYZ= 15.1411 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1201.8060 YYYY= -1943.8422 ZZZZ= -1568.1895 XXXY= 156.8182 XXXZ= -138.3025 YYYX= 158.3782 YYYZ= 323.4145 ZZZX= -129.8872 ZZZY= 298.1426 XXYY= -506.4088 XXZZ= -447.1726 YYZZ= -601.1847 XXYZ= 97.9807 YYXZ= -79.8749 ZZXY= 70.2884 N-N= 2.114764777565D+03 E-N=-8.339461624879D+03 KE= 1.132186338064D+03 Exact polarizability: 277.899 -13.976 297.593 11.923 -25.189 294.571 Approx polarizability: 619.346 -27.241 658.038 24.072 -49.481 652.426 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:45:51 2008, MaxMem= 1258291200 cpu: 1.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 4.40262981D-02 4.25839567D-01 8.55994777D-02 Polarizability= 2.77898990D+02-1.39758337D+01 2.97593293D+02 1.19227043D+01-2.51889897D+01 2.94571030D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000159108 -0.000059940 0.000247821 2 29 -0.000158501 0.000201955 -0.000118854 3 29 -0.000069752 -0.000147806 -0.000177546 4 29 -0.000013786 0.000153085 -0.000122377 5 29 0.000218356 -0.000460500 0.000350825 6 29 0.000025366 -0.000200740 0.000104255 7 29 0.000009393 0.000354340 -0.000091791 8 29 0.000019877 -0.000228232 0.000119715 9 6 -0.001212459 0.002568510 -0.002182704 10 8 0.001022399 -0.002180673 0.001870657 ------------------------------------------------------------------- Cartesian Forces: Max 0.002568510 RMS 0.000876246 Leave Link 716 at Fri Apr 11 14:45:51 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 14:45:51 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 2114.4138876600 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 14:45:51 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2742 LenP2D= 11498. 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= 614 NPtTot= 106390 NUsed= 110729 NTot= 110761 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 14:45:54 2008, MaxMem= 1258291200 cpu: 8.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2114.4301286494 hartrees. Leave Link 303 at Fri Apr 11 14:45:54 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. Leave Link 401 at Fri Apr 11 14:45:55 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. 110728 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234375. IEnd= 284411 IEndB= 284411 NGot=1258291200 MDV=1012634636 LenX=1012634636 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= -1682.75007476646 DIIS: error= 1.16D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.75007476646 IErMin= 1 ErrMin= 1.16D-03 ErrMax= 1.16D-03 EMaxC= 1.00D-01 BMatC= 1.01D-04 BMatP= 1.01D-04 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.16D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.094 Goal= None Shift= 0.000 GapD= 0.094 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.35D-04 MaxDP=6.38D-03 OVMax= 3.88D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.75018918757 Delta-E= -0.000114421108 Rises=F Damp=T DIIS: error= 3.81D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.75018918757 IErMin= 2 ErrMin= 3.81D-04 ErrMax= 3.81D-04 EMaxC= 1.00D-01 BMatC= 7.26D-05 BMatP= 1.01D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.81D-03 Coeff-Com: 0.441D+00 0.559D+00 Coeff-En: 0.378D+00 0.622D+00 Coeff: 0.441D+00 0.559D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=2.06D-04 MaxDP=3.18D-03 DE=-1.14D-04 OVMax= 1.67D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.75053980445 Delta-E= -0.000350616877 Rises=F Damp=F DIIS: error= 2.91D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.75053980445 IErMin= 3 ErrMin= 2.91D-04 ErrMax= 2.91D-04 EMaxC= 1.00D-01 BMatC= 5.25D-05 BMatP= 7.26D-05 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.91D-03 Coeff-Com: 0.273D+00 0.336D+00 0.391D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.272D+00 0.335D+00 0.393D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=6.44D-05 MaxDP=9.24D-04 DE=-3.51D-04 OVMax= 3.21D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.75059747579 Delta-E= -0.000057671341 Rises=F Damp=F DIIS: error= 6.97D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.75059747579 IErMin= 4 ErrMin= 6.97D-05 ErrMax= 6.97D-05 EMaxC= 1.00D-01 BMatC= 2.98D-06 BMatP= 5.25D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.978D-01 0.396D-01 0.166D+00 0.697D+00 Coeff: 0.978D-01 0.396D-01 0.166D+00 0.697D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=2.69D-05 MaxDP=4.64D-04 DE=-5.77D-05 OVMax= 8.03D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.75060025810 Delta-E= -0.000002782310 Rises=F Damp=F DIIS: error= 4.15D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.75060025810 IErMin= 5 ErrMin= 4.15D-05 ErrMax= 4.15D-05 EMaxC= 1.00D-01 BMatC= 1.20D-06 BMatP= 2.98D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.335D-01-0.106D-01 0.386D-01 0.441D+00 0.497D+00 Coeff: 0.335D-01-0.106D-01 0.386D-01 0.441D+00 0.497D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=1.20D-05 MaxDP=2.60D-04 DE=-2.78D-06 OVMax= 3.13D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.75060088120 Delta-E= -0.000000623103 Rises=F Damp=F DIIS: error= 2.76D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.75060088120 IErMin= 6 ErrMin= 2.76D-05 ErrMax= 2.76D-05 EMaxC= 1.00D-01 BMatC= 4.13D-07 BMatP= 1.20D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.352D-02-0.104D-01-0.178D-01 0.138D+00 0.415D+00 0.472D+00 Coeff: 0.352D-02-0.104D-01-0.178D-01 0.138D+00 0.415D+00 0.472D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=5.72D-06 MaxDP=9.23D-05 DE=-6.23D-07 OVMax= 1.49D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.75060119538 Delta-E= -0.000000314182 Rises=F Damp=F DIIS: error= 9.42D-06 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.75060119538 IErMin= 7 ErrMin= 9.42D-06 ErrMax= 9.42D-06 EMaxC= 1.00D-01 BMatC= 3.73D-08 BMatP= 4.13D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.406D-03-0.647D-02-0.161D-01 0.541D-01 0.252D+00 0.320D+00 Coeff-Com: 0.397D+00 Coeff: -0.406D-03-0.647D-02-0.161D-01 0.541D-01 0.252D+00 0.320D+00 Coeff: 0.397D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=1.69D-06 MaxDP=3.36D-05 DE=-3.14D-07 OVMax= 6.55D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.75060122489 Delta-E= -0.000000029508 Rises=F Damp=F DIIS: error= 4.57D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.75060122489 IErMin= 8 ErrMin= 4.57D-06 ErrMax= 4.57D-06 EMaxC= 1.00D-01 BMatC= 9.53D-09 BMatP= 3.73D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.596D-03-0.269D-02-0.905D-02 0.159D-01 0.127D+00 0.173D+00 Coeff-Com: 0.327D+00 0.370D+00 Coeff: -0.596D-03-0.269D-02-0.905D-02 0.159D-01 0.127D+00 0.173D+00 Coeff: 0.327D+00 0.370D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=8.05D-07 MaxDP=1.76D-05 DE=-2.95D-08 OVMax= 2.77D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.75060123208 Delta-E= -0.000000007191 Rises=F Damp=F DIIS: error= 1.16D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.75060123208 IErMin= 9 ErrMin= 1.16D-06 ErrMax= 1.16D-06 EMaxC= 1.00D-01 BMatC= 1.10D-09 BMatP= 9.53D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.578D-03-0.775D-03-0.333D-02-0.277D-02 0.334D-01 0.530D-01 Coeff-Com: 0.137D+00 0.272D+00 0.512D+00 Coeff: -0.578D-03-0.775D-03-0.333D-02-0.277D-02 0.334D-01 0.530D-01 Coeff: 0.137D+00 0.272D+00 0.512D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=3.21D-07 MaxDP=5.71D-06 DE=-7.19D-09 OVMax= 1.30D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.75060123318 Delta-E= -0.000000001100 Rises=F Damp=F DIIS: error= 7.13D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.75060123318 IErMin=10 ErrMin= 7.13D-07 ErrMax= 7.13D-07 EMaxC= 1.00D-01 BMatC= 1.52D-10 BMatP= 1.10D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.203D-03 0.607D-04-0.170D-03-0.534D-02-0.531D-02-0.214D-02 Coeff-Com: 0.251D-01 0.122D+00 0.314D+00 0.552D+00 Coeff: -0.203D-03 0.607D-04-0.170D-03-0.534D-02-0.531D-02-0.214D-02 Coeff: 0.251D-01 0.122D+00 0.314D+00 0.552D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=1.60D-07 MaxDP=3.25D-06 DE=-1.10D-09 OVMax= 4.50D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.75060123329 Delta-E= -0.000000000104 Rises=F Damp=F DIIS: error= 3.62D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.75060123329 IErMin=11 ErrMin= 3.62D-07 ErrMax= 3.62D-07 EMaxC= 1.00D-01 BMatC= 4.65D-11 BMatP= 1.52D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.599D-04 0.101D-03 0.166D-03-0.272D-02-0.610D-02-0.664D-02 Coeff-Com: 0.145D-02 0.427D-01 0.101D+00 0.399D+00 0.471D+00 Coeff: -0.599D-04 0.101D-03 0.166D-03-0.272D-02-0.610D-02-0.664D-02 Coeff: 0.145D-02 0.427D-01 0.101D+00 0.399D+00 0.471D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=8.73D-08 MaxDP=2.19D-06 DE=-1.04D-10 OVMax= 4.70D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.75060123332 Delta-E= -0.000000000037 Rises=F Damp=F DIIS: error= 1.69D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.75060123332 IErMin=12 ErrMin= 1.69D-07 ErrMax= 1.69D-07 EMaxC= 1.00D-01 BMatC= 2.79D-12 BMatP= 4.65D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.152D-04 0.434D-04 0.136D-03-0.337D-03-0.240D-02-0.354D-02 Coeff-Com: -0.324D-02-0.515D-03-0.565D-02 0.107D+00 0.262D+00 0.646D+00 Coeff: 0.152D-04 0.434D-04 0.136D-03-0.337D-03-0.240D-02-0.354D-02 Coeff: -0.324D-02-0.515D-03-0.565D-02 0.107D+00 0.262D+00 0.646D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=3.59D-08 MaxDP=6.38D-07 DE=-3.73D-11 OVMax= 2.10D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.75060123333 Delta-E= -0.000000000005 Rises=F Damp=F DIIS: error= 5.42D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.75060123333 IErMin=13 ErrMin= 5.42D-08 ErrMax= 5.42D-08 EMaxC= 1.00D-01 BMatC= 1.09D-12 BMatP= 2.79D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.180D-04 0.310D-04 0.997D-04-0.106D-03-0.146D-02-0.220D-02 Coeff-Com: -0.245D-02-0.259D-02-0.111D-01 0.536D-01 0.160D+00 0.448D+00 Coeff-Com: 0.358D+00 Coeff: 0.180D-04 0.310D-04 0.997D-04-0.106D-03-0.146D-02-0.220D-02 Coeff: -0.245D-02-0.259D-02-0.111D-01 0.536D-01 0.160D+00 0.448D+00 Coeff: 0.358D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=1.17D-08 MaxDP=2.84D-07 DE=-5.46D-12 OVMax= 4.59D-07 Cycle 14 Pass 1 IDiag 1: E= -1682.75060123334 Delta-E= -0.000000000009 Rises=F Damp=F DIIS: error= 1.79D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1682.75060123334 IErMin=14 ErrMin= 1.79D-08 ErrMax= 1.79D-08 EMaxC= 1.00D-01 BMatC= 1.01D-13 BMatP= 1.09D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.692D-05 0.546D-05 0.191D-04 0.699D-04-0.169D-03-0.268D-03 Coeff-Com: -0.104D-02-0.234D-02-0.707D-02-0.323D-02 0.243D-01 0.121D+00 Coeff-Com: 0.221D+00 0.647D+00 Coeff: 0.692D-05 0.546D-05 0.191D-04 0.699D-04-0.169D-03-0.268D-03 Coeff: -0.104D-02-0.234D-02-0.707D-02-0.323D-02 0.243D-01 0.121D+00 Coeff: 0.221D+00 0.647D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=5.09D-09 MaxDP=9.69D-08 DE=-8.64D-12 OVMax= 1.57D-07 SCF Done: E(RB+HF-LYP) = -1682.75060123 A.U. after 14 cycles Convg = 0.5088D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132185808672D+03 PE=-8.339125670268D+03 EE= 3.409759131713D+03 Leave Link 502 at Fri Apr 11 14:46:36 2008, MaxMem= 1258291200 cpu: 137.7 (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 0.11926960D+02 **** Warning!!: The smallest alpha delta epsilon is 0.98516012D-01 Leave Link 801 at Fri Apr 11 14:46:36 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= 2742 LenP2D= 11498. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 14:46:45 2008, MaxMem= 1258291200 cpu: 21.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 10. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Fri Apr 11 14:46:45 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 14:47:53 2008, MaxMem= 1258291200 cpu: 267.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: Closed-shell wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291118 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 246256364. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. CalDSu exits because no D1Ps are significant. There are 3 degrees of freedom in the 1st order CPHF. 3 vectors were produced by pass 0. AX will form 3 AO Fock derivatives at one time. 3 vectors were produced by pass 1. 3 vectors were produced by pass 2. 3 vectors were produced by pass 3. 3 vectors were produced by pass 4. 3 vectors were produced by pass 5. 3 vectors were produced by pass 6. 3 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. 3 vectors were produced by pass 11. 3 vectors were produced by pass 12. 3 vectors were produced by pass 13. 3 vectors were produced by pass 14. 3 vectors were produced by pass 15. 3 vectors were produced by pass 16. Inv2: IOpt= 1 Iter= 1 AM= 9.60D-16 Conv= 1.00D-12. Inverted reduced A of dimension 51 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.278019D+03 2 -0.127957D+02 0.298095D+03 3 0.132080D+02 -0.252672D+02 0.294179D+03 Isotropic polarizability for W= 0.000000 290.10 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:49:05 2008, MaxMem= 1258291200 cpu: 254.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27321 -10.35454 -4.34371 -4.30015 -4.29970 Alpha occ. eigenvalues -- -4.29947 -4.28410 -4.28389 -4.28331 -4.27166 Alpha occ. eigenvalues -- -2.85453 -2.84756 -2.84753 -2.80848 -2.80802 Alpha occ. eigenvalues -- -2.80777 -2.80691 -2.80675 -2.80651 -2.80639 Alpha occ. eigenvalues -- -2.80597 -2.80576 -2.79330 -2.79308 -2.79249 Alpha occ. eigenvalues -- -2.79047 -2.79041 -2.79027 -2.79021 -2.78975 Alpha occ. eigenvalues -- -2.78969 -2.78105 -2.77770 -2.77769 -1.19071 Alpha occ. eigenvalues -- -0.58997 -0.48638 -0.48637 -0.47615 -0.35842 Alpha occ. eigenvalues -- -0.33695 -0.33666 -0.32495 -0.32484 -0.32458 Alpha occ. eigenvalues -- -0.32127 -0.30916 -0.30752 -0.30730 -0.29884 Alpha occ. eigenvalues -- -0.29872 -0.29345 -0.29053 -0.28578 -0.28566 Alpha occ. eigenvalues -- -0.28458 -0.28448 -0.27418 -0.27409 -0.26735 Alpha occ. eigenvalues -- -0.26529 -0.26509 -0.26387 -0.26258 -0.26224 Alpha occ. eigenvalues -- -0.26117 -0.25859 -0.25827 -0.25774 -0.25746 Alpha occ. eigenvalues -- -0.25669 -0.25276 -0.25237 -0.25233 -0.24794 Alpha occ. eigenvalues -- -0.24790 -0.24735 -0.24633 -0.24267 -0.24266 Alpha occ. eigenvalues -- -0.20336 -0.20278 -0.18607 Alpha virt. eigenvalues -- -0.08755 -0.08753 -0.07949 -0.07136 -0.07055 Alpha virt. eigenvalues -- -0.03993 -0.03149 -0.03090 -0.00721 -0.00589 Alpha virt. eigenvalues -- -0.00447 0.01603 0.02134 0.02613 0.02759 Alpha virt. eigenvalues -- 0.03190 0.03887 0.03953 0.04254 0.04368 Alpha virt. eigenvalues -- 0.04395 0.05214 0.05526 0.06416 0.07060 Alpha virt. eigenvalues -- 0.07095 0.07171 0.07816 0.07951 0.08261 Alpha virt. eigenvalues -- 0.08549 0.08682 0.08767 0.10680 0.10763 Alpha virt. eigenvalues -- 0.10848 0.11156 0.12007 0.12117 0.15566 Alpha virt. eigenvalues -- 0.15755 0.19714 0.21046 0.22849 0.22889 Alpha virt. eigenvalues -- 0.24441 0.24971 0.24989 0.26005 0.28773 Alpha virt. eigenvalues -- 0.29006 0.30540 0.32148 0.32418 0.34553 Alpha virt. eigenvalues -- 0.39435 0.39589 0.53143 0.63974 0.65823 Alpha virt. eigenvalues -- 0.65876 0.67456 0.67502 0.67667 0.69821 Alpha virt. eigenvalues -- 0.70925 0.71089 0.74766 0.74906 0.79130 Alpha virt. eigenvalues -- 0.79585 0.79612 0.83366 0.86085 0.86101 Alpha virt. eigenvalues -- 0.86450 0.86939 0.87044 0.88303 0.88372 Alpha virt. eigenvalues -- 0.89062 0.93472 0.99744 1.05837 1.05902 Alpha virt. eigenvalues -- 1.06090 1.06093 1.08706 1.17193 1.17813 Alpha virt. eigenvalues -- 1.17987 1.23194 1.23372 1.28209 1.31036 Alpha virt. eigenvalues -- 1.31050 1.31756 1.31794 1.32182 1.33056 Alpha virt. eigenvalues -- 1.33106 1.35477 1.52597 1.63827 1.84297 Alpha virt. eigenvalues -- 1.84322 2.02209 2.30710 2.31077 3.66746 Alpha virt. eigenvalues -- 11.92930 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.144799 -0.104508 0.080763 -0.108823 -0.032472 0.089351 2 Cu -0.104508 19.329672 -0.089138 -0.015686 -0.231742 -0.105719 3 Cu 0.080763 -0.089138 19.050899 -0.091985 0.113017 0.079315 4 Cu -0.108823 -0.015686 -0.091985 19.360057 -0.235445 0.036002 5 Cu -0.032472 -0.231742 0.113017 -0.235445 19.353341 -0.029718 6 Cu 0.089351 -0.105719 0.079315 0.036002 -0.029718 19.112760 7 Cu 0.039187 -0.018475 -0.089226 -0.016899 -0.228671 -0.105183 8 Cu 0.089786 0.038032 0.080661 -0.108293 -0.031780 0.089198 9 C 0.012540 0.011839 -0.003602 0.011848 0.148113 0.013182 10 O -0.008494 -0.001354 0.000028 -0.001236 0.042584 -0.008733 7 8 9 10 1 Cu 0.039187 0.089786 0.012540 -0.008494 2 Cu -0.018475 0.038032 0.011839 -0.001354 3 Cu -0.089226 0.080661 -0.003602 0.000028 4 Cu -0.016899 -0.108293 0.011848 -0.001236 5 Cu -0.228671 -0.031780 0.148113 0.042584 6 Cu -0.105183 0.089198 0.013182 -0.008733 7 Cu 19.320362 -0.103824 0.011595 -0.001422 8 Cu -0.103824 19.137883 0.012830 -0.008666 9 C 0.011595 0.012830 5.095709 0.555261 10 O -0.001422 -0.008666 0.555261 7.546444 Mulliken atomic charges: 1 1 Cu -0.202129 2 Cu 0.187079 3 Cu -0.130732 4 Cu 0.170461 5 Cu 0.132773 6 Cu -0.170455 7 Cu 0.192557 8 Cu -0.195828 9 C 0.130685 10 O -0.114411 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.202129 2 Cu 0.187079 3 Cu -0.130732 4 Cu 0.170461 5 Cu 0.132773 6 Cu -0.170455 7 Cu 0.192557 8 Cu -0.195828 9 C 0.130685 10 O -0.114411 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu -0.084620 2 Cu 0.095124 3 Cu -0.104490 4 Cu 0.087389 5 Cu -0.073285 6 Cu -0.047547 7 Cu 0.097281 8 Cu -0.077857 9 C 0.991759 10 O -0.883753 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.084620 2 Cu 0.095124 3 Cu -0.104490 4 Cu 0.087389 5 Cu -0.073285 6 Cu -0.047547 7 Cu 0.097281 8 Cu -0.077857 9 C 0.991759 10 O -0.883753 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3730.2262 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.1158 Y= -0.2257 Z= -1.0738 Tot= 1.1034 Quadrupole moment (field-independent basis, Debye-Ang): XX= -112.9422 YY= -115.2828 ZZ= -114.8253 XY= 1.4781 XZ= -1.8174 YZ= 3.9430 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.4079 YY= -0.9327 ZZ= -0.4752 XY= 1.4781 XZ= -1.8174 YZ= 3.9430 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -9.9636 YYY= 219.4974 ZZZ= -32.1943 XYY= -7.7154 XXY= 67.2059 XXZ= -7.0252 XZZ= -5.0765 YZZ= 81.2536 YYZ= -26.4007 XYZ= 15.3492 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1202.2087 YYYY= -1921.8719 ZZZZ= -1564.2308 XXXY= 154.6444 XXXZ= -140.6357 YYYX= 153.8717 YYYZ= 331.9560 ZZZX= -133.2414 ZZZY= 303.2601 XXYY= -501.5814 XXZZ= -447.3244 YYZZ= -595.7179 XXYZ= 100.3275 YYXZ= -83.9418 ZZXY= 66.3116 N-N= 2.114430128649D+03 E-N=-8.339125689344D+03 KE= 1.132185808672D+03 Exact polarizability: 278.019 -12.796 298.095 13.208 -25.267 294.179 Approx polarizability: 619.523 -25.595 659.128 25.667 -49.399 651.266 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:49:06 2008, MaxMem= 1258291200 cpu: 1.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 4.55650111D-02-8.87891070D-02-4.22476073D-01 Polarizability= 2.78018692D+02-1.27957287D+01 2.98095499D+02 1.32079525D+01-2.52671732D+01 2.94178915D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000051049 -0.000021945 0.000264947 2 29 -0.000150998 0.000049666 -0.000263512 3 29 -0.000066831 0.000125714 0.000108052 4 29 -0.000106815 0.000142149 -0.000266948 5 29 0.000204737 -0.000587358 0.000173839 6 29 0.000127756 -0.000178412 0.000126672 7 29 0.000101737 0.000185709 -0.000104929 8 29 0.000019187 -0.000081919 0.000258549 9 6 -0.001131989 0.002252099 -0.002189982 10 8 0.000952166 -0.001885703 0.001893312 ------------------------------------------------------------------- Cartesian Forces: Max 0.002252099 RMS 0.000818747 Leave Link 716 at Fri Apr 11 14:49:07 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=3 IStep= 1. Leave Link 106 at Fri Apr 11 14:49:07 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 2114.4138876600 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 14:49:07 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= 2742 LenP2D= 11498. 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= 614 NPtTot= 106390 NUsed= 110729 NTot= 110761 NSgBfM= 210 210 210 210. Leave Link 302 at Fri Apr 11 14:49:11 2008, MaxMem= 1258291200 cpu: 9.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2114.3976466706 hartrees. Leave Link 303 at Fri Apr 11 14:49:11 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. Leave Link 401 at Fri Apr 11 14:49:11 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. 110728 words used for storage of precomputed grid. Keep R1 integrals in memory in canonical form, NReq= 251234375. IEnd= 284411 IEndB= 284411 NGot=1258291200 MDV=1012634636 LenX=1012634636 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= -1682.75058249465 DIIS: error= 1.16D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.75058249465 IErMin= 1 ErrMin= 1.16D-03 ErrMax= 1.16D-03 EMaxC= 1.00D-01 BMatC= 1.01D-04 BMatP= 1.01D-04 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.16D-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=4.31D-04 MaxDP=6.95D-03 OVMax= 3.74D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.74990256697 Delta-E= 0.000679927677 Rises=F Damp=F DIIS: error= 1.98D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1682.75058249465 IErMin= 1 ErrMin= 1.16D-03 ErrMax= 1.98D-03 EMaxC= 1.00D-01 BMatC= 5.12D-04 BMatP= 1.01D-04 IDIUse=3 WtCom= 1.84D-01 WtEn= 8.16D-01 Coeff-Com: 0.717D+00 0.283D+00 Coeff-En: 0.684D+00 0.316D+00 Coeff: 0.690D+00 0.310D+00 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=3.03D-04 MaxDP=4.32D-03 DE= 6.80D-04 OVMax= 1.77D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.75105563724 Delta-E= -0.001153070262 Rises=F Damp=F DIIS: error= 3.45D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.75105563724 IErMin= 3 ErrMin= 3.45D-04 ErrMax= 3.45D-04 EMaxC= 1.00D-01 BMatC= 7.19D-05 BMatP= 1.01D-04 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.45D-03 Coeff-Com: 0.443D+00 0.205D+00 0.352D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.441D+00 0.204D+00 0.354D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.96D-05 MaxDP=1.04D-03 DE=-1.15D-03 OVMax= 1.61D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.75110714761 Delta-E= -0.000051510371 Rises=F Damp=F DIIS: error= 7.53D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.75110714761 IErMin= 4 ErrMin= 7.53D-05 ErrMax= 7.53D-05 EMaxC= 1.00D-01 BMatC= 3.29D-06 BMatP= 7.19D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.121D+00 0.351D-01 0.156D+00 0.689D+00 Coeff: 0.121D+00 0.351D-01 0.156D+00 0.689D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.66D-05 MaxDP=4.61D-04 DE=-5.15D-05 OVMax= 8.40D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.75110992538 Delta-E= -0.000002777773 Rises=F Damp=F DIIS: error= 5.15D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.75110992538 IErMin= 5 ErrMin= 5.15D-05 ErrMax= 5.15D-05 EMaxC= 1.00D-01 BMatC= 1.69D-06 BMatP= 3.29D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.346D-01-0.978D-03 0.477D-01 0.476D+00 0.443D+00 Coeff: 0.346D-01-0.978D-03 0.477D-01 0.476D+00 0.443D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.27D-05 MaxDP=2.37D-04 DE=-2.78D-06 OVMax= 2.49D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.75111071221 Delta-E= -0.000000786835 Rises=F Damp=F DIIS: error= 3.22D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.75111071221 IErMin= 6 ErrMin= 3.22D-05 ErrMax= 3.22D-05 EMaxC= 1.00D-01 BMatC= 5.87D-07 BMatP= 1.69D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.402D-03-0.721D-02-0.132D-01 0.156D+00 0.400D+00 0.464D+00 Coeff: -0.402D-03-0.721D-02-0.132D-01 0.156D+00 0.400D+00 0.464D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=6.11D-06 MaxDP=1.10D-04 DE=-7.87D-07 OVMax= 1.66D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.75111114033 Delta-E= -0.000000428115 Rises=F Damp=F DIIS: error= 1.22D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.75111114033 IErMin= 7 ErrMin= 1.22D-05 ErrMax= 1.22D-05 EMaxC= 1.00D-01 BMatC= 8.95D-08 BMatP= 5.87D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.425D-02-0.557D-02-0.169D-01 0.613D-01 0.274D+00 0.359D+00 Coeff-Com: 0.333D+00 Coeff: -0.425D-02-0.557D-02-0.169D-01 0.613D-01 0.274D+00 0.359D+00 Coeff: 0.333D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.40D-06 MaxDP=4.08D-05 DE=-4.28D-07 OVMax= 7.20D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.75111120535 Delta-E= -0.000000065022 Rises=F Damp=F DIIS: error= 2.89D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.75111120535 IErMin= 8 ErrMin= 2.89D-06 ErrMax= 2.89D-06 EMaxC= 1.00D-01 BMatC= 6.22D-09 BMatP= 8.95D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.190D-02-0.209D-02-0.754D-02 0.121D-01 0.113D+00 0.151D+00 Coeff-Com: 0.231D+00 0.504D+00 Coeff: -0.190D-02-0.209D-02-0.754D-02 0.121D-01 0.113D+00 0.151D+00 Coeff: 0.231D+00 0.504D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.08D-07 MaxDP=1.51D-05 DE=-6.50D-08 OVMax= 4.05D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.75111121163 Delta-E= -0.000000006281 Rises=F Damp=F DIIS: error= 1.06D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.75111121163 IErMin= 9 ErrMin= 1.06D-06 ErrMax= 1.06D-06 EMaxC= 1.00D-01 BMatC= 6.71D-10 BMatP= 6.22D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.813D-03-0.531D-03-0.233D-02-0.459D-02 0.239D-01 0.356D-01 Coeff-Com: 0.901D-01 0.306D+00 0.553D+00 Coeff: -0.813D-03-0.531D-03-0.233D-02-0.459D-02 0.239D-01 0.356D-01 Coeff: 0.901D-01 0.306D+00 0.553D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.08D-07 MaxDP=5.47D-06 DE=-6.28D-09 OVMax= 1.27D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.75111121239 Delta-E= -0.000000000759 Rises=F Damp=F DIIS: error= 6.68D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.75111121239 IErMin=10 ErrMin= 6.68D-07 ErrMax= 6.68D-07 EMaxC= 1.00D-01 BMatC= 1.30D-10 BMatP= 6.71D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.179D-03 0.164D-04-0.148D-03-0.506D-02-0.459D-02-0.371D-02 Coeff-Com: 0.167D-01 0.129D+00 0.335D+00 0.533D+00 Coeff: -0.179D-03 0.164D-04-0.148D-03-0.506D-02-0.459D-02-0.371D-02 Coeff: 0.167D-01 0.129D+00 0.335D+00 0.533D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.41D-07 MaxDP=2.78D-06 DE=-7.59D-10 OVMax= 3.90D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.75111121247 Delta-E= -0.000000000083 Rises=F Damp=F DIIS: error= 3.52D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.75111121247 IErMin=11 ErrMin= 3.52D-07 ErrMax= 3.52D-07 EMaxC= 1.00D-01 BMatC= 3.80D-11 BMatP= 1.30D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.532D-05 0.675D-04 0.157D-03-0.215D-02-0.527D-02-0.641D-02 Coeff-Com: -0.340D-02 0.381D-01 0.875D-01 0.379D+00 0.512D+00 Coeff: 0.532D-05 0.675D-04 0.157D-03-0.215D-02-0.527D-02-0.641D-02 Coeff: -0.340D-02 0.381D-01 0.875D-01 0.379D+00 0.512D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=8.19D-08 MaxDP=2.03D-06 DE=-8.32D-11 OVMax= 4.56D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.75111121251 Delta-E= -0.000000000039 Rises=F Damp=F DIIS: error= 1.61D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.75111121251 IErMin=12 ErrMin= 1.61D-07 ErrMax= 1.61D-07 EMaxC= 1.00D-01 BMatC= 2.60D-12 BMatP= 3.80D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.407D-04 0.374D-04 0.123D-03-0.316D-03-0.225D-02-0.322D-02 Coeff-Com: -0.413D-02 0.863D-03-0.352D-02 0.120D+00 0.293D+00 0.599D+00 Coeff: 0.407D-04 0.374D-04 0.123D-03-0.316D-03-0.225D-02-0.322D-02 Coeff: -0.413D-02 0.863D-03-0.352D-02 0.120D+00 0.293D+00 0.599D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=3.29D-08 MaxDP=6.35D-07 DE=-3.87D-11 OVMax= 1.87D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.75111121252 Delta-E= -0.000000000004 Rises=F Damp=F DIIS: error= 5.99D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.75111121252 IErMin=13 ErrMin= 5.99D-08 ErrMax= 5.99D-08 EMaxC= 1.00D-01 BMatC= 1.00D-12 BMatP= 2.60D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.326D-04 0.246D-04 0.833D-04-0.932D-04-0.131D-02-0.188D-02 Coeff-Com: -0.270D-02-0.174D-02-0.980D-02 0.587D-01 0.176D+00 0.424D+00 Coeff-Com: 0.358D+00 Coeff: 0.326D-04 0.246D-04 0.833D-04-0.932D-04-0.131D-02-0.188D-02 Coeff: -0.270D-02-0.174D-02-0.980D-02 0.587D-01 0.176D+00 0.424D+00 Coeff: 0.358D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=1.04D-08 MaxDP=2.79D-07 DE=-4.09D-12 OVMax= 3.33D-07 Cycle 14 Pass 1 IDiag 1: E= -1682.75111121253 Delta-E= -0.000000000011 Rises=F Damp=F DIIS: error= 1.73D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1682.75111121253 IErMin=14 ErrMin= 1.73D-08 ErrMax= 1.73D-08 EMaxC= 1.00D-01 BMatC= 7.80D-14 BMatP= 1.00D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.802D-05 0.319D-05 0.114D-04 0.760D-04-0.114D-03-0.119D-03 Coeff-Com: -0.676D-03-0.272D-02-0.681D-02-0.311D-02 0.239D-01 0.118D+00 Coeff-Com: 0.210D+00 0.662D+00 Coeff: 0.802D-05 0.319D-05 0.114D-04 0.760D-04-0.114D-03-0.119D-03 Coeff: -0.676D-03-0.272D-02-0.681D-02-0.311D-02 0.239D-01 0.118D+00 Coeff: 0.210D+00 0.662D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=4.40D-09 MaxDP=7.99D-08 DE=-1.09D-11 OVMax= 1.39D-07 SCF Done: E(RB+HF-LYP) = -1682.75111121 A.U. after 14 cycles Convg = 0.4400D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132169299546D+03 PE=-8.339041373452D+03 EE= 3.409723316023D+03 Leave Link 502 at Fri Apr 11 14:49:54 2008, MaxMem= 1258291200 cpu: 135.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.11929050D+02 Leave Link 801 at Fri Apr 11 14:49:54 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= 2742 LenP2D= 11498. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 14:50:00 2008, MaxMem= 1258291200 cpu: 20.9 (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 14:50:01 2008, MaxMem= 1258291200 cpu: 1.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291118. G2DrvN: will do 11 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Fri Apr 11 14:51:09 2008, MaxMem= 1258291200 cpu: 268.0 (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. Inv2: IOpt= 1 Iter= 1 AM= 8.03D-16 Conv= 1.00D-12. Inverted reduced A of dimension 51 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.278186D+03 2 -0.154689D+02 0.300500D+03 3 0.133985D+02 -0.275102D+02 0.297967D+03 Isotropic polarizability for W= 0.000000 292.22 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:52:25 2008, MaxMem= 1258291200 cpu: 261.5 (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 -- -19.26918 -10.35023 -4.34244 -4.30090 -4.30069 Alpha occ. eigenvalues -- -4.30038 -4.28438 -4.28385 -4.28380 -4.27357 Alpha occ. eigenvalues -- -2.85314 -2.84641 -2.84639 -2.80932 -2.80872 Alpha occ. eigenvalues -- -2.80864 -2.80773 -2.80755 -2.80742 -2.80724 Alpha occ. eigenvalues -- -2.80697 -2.80675 -2.79356 -2.79303 -2.79297 Alpha occ. eigenvalues -- -2.79076 -2.79070 -2.79029 -2.79024 -2.79022 Alpha occ. eigenvalues -- -2.79018 -2.78296 -2.77956 -2.77954 -1.18549 Alpha occ. eigenvalues -- -0.58372 -0.48046 -0.48043 -0.47225 -0.35904 Alpha occ. eigenvalues -- -0.33639 -0.33632 -0.32458 -0.32417 -0.32408 Alpha occ. eigenvalues -- -0.32158 -0.30973 -0.30798 -0.30785 -0.29945 Alpha occ. eigenvalues -- -0.29937 -0.29397 -0.29105 -0.28635 -0.28620 Alpha occ. eigenvalues -- -0.28537 -0.28534 -0.27474 -0.27458 -0.26781 Alpha occ. eigenvalues -- -0.26563 -0.26544 -0.26420 -0.26300 -0.26279 Alpha occ. eigenvalues -- -0.26164 -0.25897 -0.25876 -0.25818 -0.25804 Alpha occ. eigenvalues -- -0.25730 -0.25314 -0.25309 -0.25266 -0.24922 Alpha occ. eigenvalues -- -0.24915 -0.24907 -0.24683 -0.24421 -0.24417 Alpha occ. eigenvalues -- -0.20343 -0.20302 -0.18791 Alpha virt. eigenvalues -- -0.08506 -0.08497 -0.07973 -0.07101 -0.07042 Alpha virt. eigenvalues -- -0.04543 -0.03128 -0.03086 -0.00790 -0.00598 Alpha virt. eigenvalues -- -0.00530 0.02137 0.02230 0.02472 0.02795 Alpha virt. eigenvalues -- 0.02820 0.03766 0.03997 0.04070 0.04325 Alpha virt. eigenvalues -- 0.04407 0.04788 0.05064 0.05880 0.06626 Alpha virt. eigenvalues -- 0.07030 0.07136 0.07948 0.08217 0.08486 Alpha virt. eigenvalues -- 0.08556 0.08573 0.08605 0.10334 0.10379 Alpha virt. eigenvalues -- 0.10584 0.10669 0.11858 0.11907 0.15312 Alpha virt. eigenvalues -- 0.15529 0.20134 0.21828 0.22772 0.22795 Alpha virt. eigenvalues -- 0.24355 0.24865 0.24900 0.25665 0.28806 Alpha virt. eigenvalues -- 0.29090 0.30271 0.31932 0.32196 0.34712 Alpha virt. eigenvalues -- 0.40066 0.40087 0.53922 0.64097 0.66049 Alpha virt. eigenvalues -- 0.66102 0.67403 0.67448 0.68116 0.69922 Alpha virt. eigenvalues -- 0.70845 0.70888 0.75164 0.75257 0.79103 Alpha virt. eigenvalues -- 0.79718 0.79727 0.83587 0.85920 0.85936 Alpha virt. eigenvalues -- 0.86415 0.86935 0.87039 0.88262 0.88321 Alpha virt. eigenvalues -- 0.89022 0.93540 0.99774 1.05813 1.05856 Alpha virt. eigenvalues -- 1.05988 1.05991 1.08717 1.16953 1.17860 Alpha virt. eigenvalues -- 1.17952 1.23146 1.23346 1.28153 1.31028 Alpha virt. eigenvalues -- 1.31038 1.31567 1.31598 1.32090 1.33027 Alpha virt. eigenvalues -- 1.33047 1.35492 1.52456 1.64392 1.84202 Alpha virt. eigenvalues -- 1.84241 2.01950 2.30566 2.31210 3.66605 Alpha virt. eigenvalues -- 11.93207 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.107544 -0.112086 0.081986 -0.107663 -0.025378 0.088913 2 Cu -0.112086 19.360636 -0.096190 -0.017219 -0.230076 -0.109519 3 Cu 0.081986 -0.096190 19.091475 -0.093478 0.118200 0.083511 4 Cu -0.107663 -0.017219 -0.093478 19.332839 -0.229245 0.038870 5 Cu -0.025378 -0.230076 0.118200 -0.229245 19.337893 -0.027838 6 Cu 0.088913 -0.109519 0.083511 0.038870 -0.027838 19.140117 7 Cu 0.039295 -0.017782 -0.097660 -0.018037 -0.228100 -0.111058 8 Cu 0.087353 0.038658 0.082475 -0.106407 -0.025821 0.089228 9 C 0.013047 0.011370 -0.003972 0.011718 0.141755 0.014014 10 O -0.008054 -0.001159 0.000052 -0.000940 0.041748 -0.008733 7 8 9 10 1 Cu 0.039295 0.087353 0.013047 -0.008054 2 Cu -0.017782 0.038658 0.011370 -0.001159 3 Cu -0.097660 0.082475 -0.003972 0.000052 4 Cu -0.018037 -0.106407 0.011718 -0.000940 5 Cu -0.228100 -0.025821 0.141755 0.041748 6 Cu -0.111058 0.089228 0.014014 -0.008733 7 Cu 19.365845 -0.112659 0.011043 -0.001253 8 Cu -0.112659 19.113517 0.013400 -0.008321 9 C 0.011043 0.013400 5.092801 0.560313 10 O -0.001253 -0.008321 0.560313 7.520732 Mulliken atomic charges: 1 1 Cu -0.164956 2 Cu 0.173367 3 Cu -0.166399 4 Cu 0.189562 5 Cu 0.126862 6 Cu -0.197505 7 Cu 0.170367 8 Cu -0.171424 9 C 0.134511 10 O -0.094385 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.164956 2 Cu 0.173367 3 Cu -0.166399 4 Cu 0.189562 5 Cu 0.126862 6 Cu -0.197505 7 Cu 0.170367 8 Cu -0.171424 9 C 0.134511 10 O -0.094385 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu -0.042663 2 Cu 0.085263 3 Cu -0.147499 4 Cu 0.092543 5 Cu -0.073203 6 Cu -0.083322 7 Cu 0.083637 8 Cu -0.051449 9 C 0.972440 10 O -0.835747 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu -0.042663 2 Cu 0.085263 3 Cu -0.147499 4 Cu 0.092543 5 Cu -0.073203 6 Cu -0.083322 7 Cu 0.083637 8 Cu -0.051449 9 C 0.972440 10 O -0.835747 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3730.2019 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2434 Y= -0.4792 Z= 1.7658 Tot= 1.8458 Quadrupole moment (field-independent basis, Debye-Ang): XX= -112.6143 YY= -114.9749 ZZ= -115.4284 XY= 2.0458 XZ= -1.5879 YZ= 2.5462 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.7249 YY= -0.6357 ZZ= -1.0892 XY= 2.0458 XZ= -1.5879 YZ= 2.5462 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -10.2647 YYY= 215.2900 ZZZ= -6.6166 XYY= -6.5450 XXY= 66.2307 XXZ= 2.5107 XZZ= -2.3342 YZZ= 77.7779 YYZ= -13.0342 XYZ= 13.3200 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1198.0576 YYYY= -1914.1382 ZZZZ= -1576.9100 XXXY= 160.6375 XXXZ= -141.8127 YYYX= 154.7060 YYYZ= 311.4351 ZZZX= -130.6468 ZZZY= 292.9344 XXYY= -499.5688 XXZZ= -446.7946 YYZZ= -593.3048 XXYZ= 94.7402 YYXZ= -78.6223 ZZXY= 70.0705 N-N= 2.114397646671D+03 E-N=-8.339041358128D+03 KE= 1.132169299546D+03 Exact polarizability: 278.186 -15.469 300.500 13.398 -27.510 297.967 Approx polarizability: 620.127 -26.228 658.257 23.221 -47.167 653.988 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:52:26 2008, MaxMem= 1258291200 cpu: 1.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 9.57615382D-02-1.88529657D-01 6.94722554D-01 Polarizability= 2.78185620D+02-1.54688546D+01 3.00499688D+02 1.33984595D+01-2.75102324D+01 2.97967458D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000117975 0.000187061 0.000042445 2 29 0.000141167 -0.000000302 0.000061917 3 29 0.000014789 -0.000033488 -0.000334507 4 29 -0.000018186 -0.000070597 0.000320456 5 29 -0.000174465 0.000174410 -0.000236141 6 29 -0.000028546 0.000060359 -0.000165922 7 29 -0.000003237 -0.000102808 0.000105050 8 29 -0.000145010 -0.000028249 -0.000054002 9 6 0.001095775 -0.002251229 0.002246981 10 8 -0.001000261 0.002064844 -0.001986277 ------------------------------------------------------------------- Cartesian Forces: Max 0.002251229 RMS 0.000837014 Leave Link 716 at Fri Apr 11 14:52:26 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= 2. Max difference between analytic and numerical Dipole moment IMax= 2 EMax= 6.52D-04 Max difference between off-diagonal Polarizability IMax= 1 JMax= 2 EMax= 3.07D-02 Max difference between analytic and numerical Polarizability IMax= 1 EMax= 2.25D-01 Max difference between off-diagonal HyperPolarizability IMax= 2 JMax= 2 KMax= 3 EMax= 3.15D+00 Final packed hyperpolarizability: K= 1 block: 1 1 -0.744595D+03 K= 2 block: 1 2 1 0.103501D+03 2 -0.106712D+03 0.110685D+04 K= 3 block: 1 2 3 1 -0.433038D+02 2 0.707207D+03 -0.638220D+03 3 -0.502791D+02 0.592692D+03 -0.100241D+04 Max difference between off-diagonal Polar Derivs IMax= 2 JMax= 3 KMax= 9 EMax= 1.11D-02 Leave Link 106 at Fri Apr 11 14:52:27 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole = 7.05735439D-02-1.37609588D-01 1.34339091D-01 Polarizability= 2.77800200D+02-1.41358378D+01 2.98984926D+02 1.32652002D+01-2.63981184D+01 2.95375349D+02 HyperPolar =-7.44594971D+02 1.03500719D+02-1.06712121D+02 1.10684776D+03-4.33037529D+01 7.07207156D+02 -6.38219716D+02-5.02790646D+01 5.92691671D+02 -1.00240528D+03 Full mass-weighted force constant matrix: Low frequencies --- -0.0004 -0.0004 -0.0003 1.9526 3.6924 4.3270 Low frequencies --- 26.2194 26.9782 50.0384 Diagonal vibrational polarizability: 8.8174019 10.6436409 9.7191516 Diagonal vibrational hyperpolarizability: -136.6118146 221.4288651 -184.2502651 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 -- 26.2150 26.9677 50.0374 Red. masses -- 19.6145 19.6288 60.2860 Frc consts -- 0.0079 0.0084 0.0889 IR Inten -- 0.1244 0.1236 0.0185 Raman Activ -- 1.1418 1.1184 3.0326 Depolar (P) -- 0.7499 0.7499 0.7500 Depolar (U) -- 0.8571 0.8571 0.8571 Atom AN X Y Z X Y Z X Y Z 1 29 0.01 0.12 -0.04 -0.09 0.03 0.06 -0.04 0.41 -0.13 2 29 -0.02 0.05 -0.02 0.02 -0.04 0.05 0.05 -0.19 -0.01 3 29 -0.08 -0.09 -0.05 0.10 -0.03 -0.08 0.18 0.24 0.16 4 29 0.00 0.03 -0.02 -0.04 0.05 -0.05 -0.08 -0.16 0.06 5 29 0.07 0.08 0.05 -0.08 0.03 0.07 0.16 0.21 0.15 6 29 0.09 0.04 0.06 -0.03 -0.06 0.11 -0.32 -0.29 0.13 7 29 0.03 -0.06 0.06 -0.01 -0.01 0.02 -0.09 0.18 -0.16 8 29 0.07 0.03 0.10 -0.08 0.09 0.01 0.17 -0.38 -0.18 9 6 -0.19 -0.22 -0.14 0.24 -0.08 -0.21 0.04 0.06 0.04 10 8 -0.54 -0.61 -0.38 0.65 -0.21 -0.58 -0.11 -0.16 -0.11 4 5 6 A A A Frequencies -- 50.7368 85.4600 86.3352 Red. masses -- 60.2247 61.7153 61.7344 Frc consts -- 0.0913 0.2656 0.2711 IR Inten -- 0.0161 0.8218 0.8181 Raman Activ -- 3.0283 3.8275 3.9296 Depolar (P) -- 0.7500 0.7493 0.7473 Depolar (U) -- 0.8571 0.8567 0.8554 Atom AN X Y Z X Y Z X Y Z 1 29 0.37 -0.05 -0.27 0.10 0.04 -0.36 -0.35 0.12 -0.14 2 29 -0.08 0.09 -0.20 -0.13 0.05 -0.09 0.03 -0.23 -0.16 3 29 -0.27 0.05 0.20 0.57 0.14 -0.06 -0.04 0.35 0.47 4 29 0.14 -0.11 0.16 -0.19 -0.19 0.06 -0.09 -0.02 -0.14 5 29 -0.23 0.05 0.18 -0.15 -0.04 0.02 0.01 -0.09 -0.12 6 29 0.20 -0.02 0.38 0.18 0.32 -0.02 0.32 -0.22 -0.05 7 29 0.13 -0.02 -0.10 -0.16 -0.11 0.18 0.16 -0.19 -0.03 8 29 -0.28 0.01 -0.34 -0.20 -0.22 0.26 -0.04 0.29 0.20 9 6 -0.06 0.01 0.05 -0.14 -0.04 0.02 0.01 -0.09 -0.12 10 8 0.17 -0.04 -0.14 0.03 0.02 -0.02 -0.01 0.03 0.02 7 8 9 A A A Frequencies -- 87.6620 109.8189 114.1032 Red. masses -- 62.2029 34.4809 62.3584 Frc consts -- 0.2816 0.2450 0.4783 IR Inten -- 1.1690 0.0611 0.0083 Raman Activ -- 6.9327 2.6831 2.4737 Depolar (P) -- 0.6871 0.7260 0.7497 Depolar (U) -- 0.8145 0.8412 0.8570 Atom AN X Y Z X Y Z X Y Z 1 29 0.09 0.45 0.03 0.10 -0.09 0.16 0.12 0.07 0.27 2 29 0.14 -0.14 0.19 0.06 0.01 -0.01 -0.10 -0.07 0.08 3 29 0.05 -0.33 0.17 0.02 -0.03 0.03 0.02 0.05 0.06 4 29 0.10 -0.12 0.21 -0.03 0.02 0.05 0.29 -0.37 -0.21 5 29 -0.01 0.08 -0.04 -0.17 0.35 -0.32 0.01 0.14 0.04 6 29 -0.03 0.05 -0.47 0.09 -0.20 0.06 0.02 0.23 0.09 7 29 0.06 -0.16 0.12 0.03 -0.04 0.04 -0.39 -0.26 -0.49 8 29 -0.40 0.13 -0.20 -0.02 -0.18 0.14 0.04 0.18 0.15 9 6 -0.01 0.08 -0.04 -0.19 0.37 -0.34 -0.02 0.07 -0.03 10 8 -0.03 0.05 -0.05 -0.18 0.37 -0.34 -0.02 0.07 -0.03 10 11 12 A A A Frequencies -- 114.1918 122.7424 123.7280 Red. masses -- 62.8113 62.2017 62.1820 Frc consts -- 0.4826 0.5521 0.5609 IR Inten -- 0.0075 0.0000 0.0003 Raman Activ -- 2.4900 0.0325 0.0114 Depolar (P) -- 0.7499 0.5426 0.6002 Depolar (U) -- 0.8571 0.7035 0.7502 Atom AN X Y Z X Y Z X Y Z 1 29 -0.25 0.02 0.06 -0.12 -0.08 0.17 0.11 -0.28 0.11 2 29 0.48 0.36 -0.35 -0.34 0.28 -0.25 -0.04 -0.01 -0.10 3 29 -0.06 -0.01 0.03 0.22 0.02 -0.07 0.03 0.17 0.16 4 29 0.26 -0.37 -0.19 0.00 -0.15 0.26 -0.09 0.18 -0.35 5 29 -0.08 -0.03 0.05 0.51 0.07 -0.19 0.08 0.37 0.39 6 29 -0.26 0.05 0.04 -0.09 -0.20 0.15 -0.16 0.08 -0.25 7 29 0.11 0.08 0.17 -0.02 -0.17 0.11 0.10 -0.41 0.21 8 29 -0.19 -0.10 0.18 -0.18 0.23 -0.19 -0.03 -0.11 -0.18 9 6 -0.01 -0.02 0.02 0.10 0.01 -0.03 0.02 0.06 0.09 10 8 -0.01 -0.02 0.03 -0.05 -0.01 0.02 0.00 -0.05 -0.02 13 14 15 A A A Frequencies -- 128.5565 141.9515 150.2793 Red. masses -- 62.9225 61.7641 60.8185 Frc consts -- 0.6127 0.7333 0.8093 IR Inten -- 0.0000 0.0039 0.0739 Raman Activ -- 0.0034 24.2101 3.5714 Depolar (P) -- 0.0843 0.0287 0.7387 Depolar (U) -- 0.1556 0.0559 0.8497 Atom AN X Y Z X Y Z X Y Z 1 29 -0.24 0.05 0.17 0.19 0.16 0.22 0.16 -0.05 -0.13 2 29 -0.01 -0.34 -0.35 -0.20 -0.11 0.10 0.30 -0.06 0.28 3 29 0.00 -0.01 0.00 -0.22 0.44 -0.42 -0.13 0.01 0.11 4 29 0.41 0.26 0.08 0.12 -0.18 -0.14 -0.19 0.02 -0.36 5 29 -0.01 0.00 -0.01 0.07 -0.07 0.07 0.40 -0.05 -0.27 6 29 0.25 0.16 0.05 0.19 -0.21 -0.17 0.03 0.10 0.29 7 29 -0.40 0.08 0.27 0.13 0.14 0.18 -0.30 0.06 0.20 8 29 0.00 -0.20 -0.21 -0.29 -0.13 0.14 -0.27 -0.03 -0.11 9 6 0.00 0.00 -0.01 0.04 -0.07 0.07 0.16 -0.02 -0.11 10 8 0.00 0.00 -0.01 0.04 -0.08 0.07 -0.05 0.01 0.03 16 17 18 A A A Frequencies -- 150.4155 198.5454 205.4361 Red. masses -- 60.8106 54.4898 60.9136 Frc consts -- 0.8106 1.2656 1.5147 IR Inten -- 0.0725 0.5290 0.1365 Raman Activ -- 3.6068 29.3162 5.5623 Depolar (P) -- 0.7416 0.0553 0.7465 Depolar (U) -- 0.8517 0.1049 0.8549 Atom AN X Y Z X Y Z X Y Z 1 29 0.10 0.32 0.04 0.19 0.12 0.24 -0.11 -0.10 -0.20 2 29 -0.15 0.31 0.15 0.00 0.26 -0.25 0.06 0.37 0.25 3 29 0.07 0.14 0.08 0.10 -0.21 0.20 0.00 0.00 0.00 4 29 0.25 0.24 -0.18 -0.18 0.28 -0.14 0.09 -0.19 -0.03 5 29 -0.22 -0.35 -0.24 0.06 -0.12 0.12 -0.12 0.11 0.17 6 29 -0.18 -0.09 0.13 0.19 -0.24 -0.13 0.30 -0.38 -0.22 7 29 0.01 -0.40 0.14 -0.18 0.16 -0.27 -0.42 0.05 0.20 8 29 0.14 -0.15 -0.12 -0.22 -0.16 0.16 0.22 0.13 -0.17 9 6 -0.09 -0.15 -0.10 0.10 -0.20 0.18 -0.10 0.09 0.14 10 8 0.03 0.03 0.04 0.10 -0.20 0.19 0.02 -0.02 -0.05 19 20 21 A A A Frequencies -- 205.6690 213.9123 271.7100 Red. masses -- 60.8618 61.2675 12.9270 Frc consts -- 1.5168 1.6518 0.5623 IR Inten -- 0.1375 0.7704 0.7370 Raman Activ -- 5.6448 29.3045 7.4461 Depolar (P) -- 0.7389 0.0232 0.7499 Depolar (U) -- 0.8498 0.0453 0.8571 Atom AN X Y Z X Y Z X Y Z 1 29 -0.29 -0.18 -0.33 0.03 0.03 0.03 -0.01 0.02 -0.01 2 29 -0.07 0.10 0.30 0.49 0.05 -0.07 0.00 0.01 0.01 3 29 0.00 0.01 0.00 -0.15 0.31 -0.29 -0.01 -0.02 -0.01 4 29 0.43 0.28 0.08 -0.20 0.16 0.44 0.01 0.01 0.01 5 29 0.19 0.13 0.05 0.02 -0.04 0.04 0.04 0.07 0.04 6 29 -0.02 -0.05 -0.02 0.02 -0.03 -0.02 0.00 -0.01 0.01 7 29 0.07 -0.06 -0.29 -0.21 -0.42 -0.18 0.00 0.01 0.00 8 29 -0.33 -0.24 0.21 -0.03 -0.01 0.01 0.00 -0.01 0.01 9 6 0.16 0.11 0.04 0.04 -0.09 0.08 -0.45 -0.67 -0.48 10 8 -0.04 -0.03 -0.01 0.05 -0.09 0.08 0.16 0.23 0.17 22 23 24 A A A Frequencies -- 272.1939 346.4434 1991.8401 Red. masses -- 12.9246 19.4096 13.3766 Frc consts -- 0.5642 1.3726 31.2683 IR Inten -- 0.7387 3.5111 977.7683 Raman Activ -- 7.3975 8.8443 406.4308 Depolar (P) -- 0.7500 0.0419 0.7488 Depolar (U) -- 0.8571 0.0804 0.8564 Atom AN X Y Z X Y Z X Y Z 1 29 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 2 29 -0.01 0.01 0.00 0.01 0.01 -0.01 0.00 0.00 0.00 3 29 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 4 29 -0.01 -0.01 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 5 29 -0.07 0.01 0.05 0.11 -0.23 0.21 0.00 0.00 0.00 6 29 0.01 -0.01 0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 7 29 -0.01 0.00 0.01 -0.01 0.00 -0.02 0.00 0.00 0.00 8 29 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 9 6 0.76 -0.12 -0.54 -0.22 0.44 -0.42 -0.28 0.56 -0.51 10 8 -0.26 0.04 0.19 -0.24 0.47 -0.43 0.20 -0.41 0.37 ------------------- - 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 -- 5206.113127154.615187159.75038 X -0.34411 0.59760 0.72419 Y 0.68595 0.68668 -0.24071 Z -0.64114 0.41393 -0.64622 This molecule is an asymmetric top. Rotational symmetry number 1. Warning -- assumption of classical behavior for rotation may cause significant error Rotational temperatures (Kelvin) 0.01664 0.01211 0.01210 Rotational constants (GHZ): 0.34666 0.25225 0.25207 Zero-point vibrational energy 31551.2 (Joules/Mol) 7.54092 (Kcal/Mol) Warning -- explicit consideration of 23 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 37.72 38.80 71.99 73.00 122.96 (Kelvin) 124.22 126.13 158.00 164.17 164.30 176.60 178.02 184.96 204.24 216.22 216.41 285.66 295.58 295.91 307.77 390.93 391.63 498.45 2865.81 Zero-point correction= 0.012017 (Hartree/Particle) Thermal correction to Energy= 0.030193 Thermal correction to Enthalpy= 0.031138 Thermal correction to Gibbs Free Energy= -0.040663 Sum of electronic and zero-point Energies= -1682.738311 Sum of electronic and thermal Energies= -1682.720135 Sum of electronic and thermal Enthalpies= -1682.719191 Sum of electronic and thermal Free Energies= -1682.790991 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 18.947 49.448 151.116 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 44.697 Rotational 0.889 2.981 33.944 Vibrational 17.169 43.487 72.475 Vibration 1 0.593 1.985 6.097 Vibration 2 0.593 1.984 6.041 Vibration 3 0.595 1.978 4.816 Vibration 4 0.595 1.977 4.788 Vibration 5 0.601 1.959 3.761 Vibration 6 0.601 1.959 3.741 Vibration 7 0.601 1.958 3.712 Vibration 8 0.606 1.941 3.272 Vibration 9 0.607 1.938 3.198 Vibration 10 0.607 1.938 3.196 Vibration 11 0.610 1.930 3.057 Vibration 12 0.610 1.929 3.041 Vibration 13 0.611 1.925 2.968 Vibration 14 0.615 1.911 2.777 Vibration 15 0.618 1.902 2.669 Vibration 16 0.618 1.902 2.667 Vibration 17 0.637 1.842 2.147 Vibration 18 0.640 1.832 2.084 Vibration 19 0.640 1.832 2.082 Vibration 20 0.644 1.820 2.010 Vibration 21 0.675 1.725 1.585 Vibration 22 0.675 1.725 1.582 Vibration 23 0.724 1.583 1.182 Q Log10(Q) Ln(Q) Total Bot 0.505195D+19 18.703459 43.066306 Total V=0 0.170211D+25 24.230987 55.793908 Vib (Bot) 0.179468D+04 3.253988 7.492583 Vib (Bot) 1 0.789956D+01 0.897603 2.066807 Vib (Bot) 2 0.767878D+01 0.885292 2.038461 Vib (Bot) 3 0.413136D+01 0.616093 1.418606 Vib (Bot) 4 0.407413D+01 0.610035 1.404657 Vib (Bot) 5 0.240772D+01 0.381606 0.878679 Vib (Bot) 6 0.238296D+01 0.377118 0.868345 Vib (Bot) 7 0.234637D+01 0.370397 0.852871 Vib (Bot) 8 0.186507D+01 0.270695 0.623297 Vib (Bot) 9 0.179338D+01 0.253672 0.584101 Vib (Bot) 10 0.179195D+01 0.253326 0.583305 Vib (Bot) 11 0.166386D+01 0.221117 0.509141 Vib (Bot) 12 0.165022D+01 0.217542 0.500909 Vib (Bot) 13 0.158637D+01 0.200406 0.461451 Vib (Bot) 14 0.143167D+01 0.155844 0.358843 Vib (Bot) 15 0.134917D+01 0.130067 0.299491 Vib (Bot) 16 0.134790D+01 0.129657 0.298546 Vib (Bot) 17 0.100484D+01 0.002096 0.004826 Vib (Bot) 18 0.968554D+00 -0.013876 -0.031951 Vib (Bot) 19 0.967369D+00 -0.014408 -0.033175 Vib (Bot) 20 0.927027D+00 -0.032908 -0.075773 Vib (Bot) 21 0.710657D+00 -0.148340 -0.341565 Vib (Bot) 22 0.709218D+00 -0.149221 -0.343593 Vib (Bot) 23 0.533778D+00 -0.272639 -0.627775 Vib (V=0) 0.604665D+09 8.781515 20.220185 Vib (V=0) 1 0.841537D+01 0.925073 2.130060 Vib (V=0) 2 0.819504D+01 0.913551 2.103529 Vib (V=0) 3 0.466150D+01 0.668526 1.539338 Vib (V=0) 4 0.460469D+01 0.663201 1.527076 Vib (V=0) 5 0.295909D+01 0.471158 1.084881 Vib (V=0) 6 0.293486D+01 0.467587 1.076658 Vib (V=0) 7 0.289906D+01 0.462257 1.064385 Vib (V=0) 8 0.243093D+01 0.385772 0.888272 Vib (V=0) 9 0.236177D+01 0.373238 0.859413 Vib (V=0) 10 0.236040D+01 0.372986 0.858831 Vib (V=0) 11 0.223736D+01 0.349737 0.805298 Vib (V=0) 12 0.222430D+01 0.347194 0.799444 Vib (V=0) 13 0.216331D+01 0.335118 0.771637 Vib (V=0) 14 0.201647D+01 0.304592 0.701349 Vib (V=0) 15 0.193884D+01 0.287542 0.662091 Vib (V=0) 16 0.193765D+01 0.287275 0.661474 Vib (V=0) 17 0.162236D+01 0.210148 0.483884 Vib (V=0) 18 0.159000D+01 0.201397 0.463733 Vib (V=0) 19 0.158895D+01 0.201109 0.463071 Vib (V=0) 20 0.155327D+01 0.191247 0.440363 Vib (V=0) 21 0.136893D+01 0.136380 0.314027 Vib (V=0) 22 0.136775D+01 0.136007 0.313167 Vib (V=0) 23 0.123138D+01 0.090393 0.208137 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.481533D+09 8.682626 19.992486 Rotational 0.584582D+07 6.766845 15.581237 Cu8CO05 IR Spectrum 1 9 3 2 221111111 9 4 7 10954221188 5 2 2 6 2 45902934085 0 6 X X X XXXX XXX X X X X X X X X X X X X X X X X X X X X Cu8CO05 Raman Spectrum 1 9 3 22221111111 9 4 71009542211888 5 2 2 6 24659029340865 0 6 X X XXXXXXX XXXXX X X X X X X X X X X X X X X X X X X X X X ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000072132 0.000072176 0.000122714 2 29 -0.000015510 0.000019203 -0.000091471 3 29 -0.000019748 0.000031992 -0.000080769 4 29 -0.000053984 0.000027065 0.000020604 5 29 0.000015619 -0.000201440 -0.000031575 6 29 0.000040576 -0.000047684 0.000004993 7 29 0.000059095 0.000050720 0.000013941 8 29 -0.000052432 -0.000048499 0.000085883 9 6 -0.000015018 -0.000006755 0.000017506 10 8 -0.000030730 0.000103224 -0.000061825 ------------------------------------------------------------------- Cartesian Forces: Max 0.000201440 RMS 0.000065053 Force constants in Cartesian coordinates: 1 2 3 4 5 1 0.275807D-01 2 0.993775D-02 0.218465D-01 3 0.176554D-01 0.119295D-01 0.348107D-01 4 0.951409D-04 -0.483238D-03 -0.255341D-02 0.494030D-01 5 -0.927934D-03 -0.715744D-03 -0.452668D-02 0.339280D-02 0.423275D-01 6 -0.563003D-02 -0.636131D-02 -0.258847D-01 -0.344773D-02 0.444326D-02 7 -0.683763D-03 0.772450D-03 -0.512165D-03 -0.138039D-01 0.664772D-02 8 -0.190673D-03 0.797422D-03 -0.572559D-03 0.967171D-02 -0.504328D-02 9 -0.273953D-03 0.770131D-03 -0.102355D-02 -0.890030D-02 0.406579D-02 10 -0.222333D-01 -0.270486D-02 -0.121815D-01 -0.163351D-01 0.277422D-02 11 -0.379387D-03 0.329668D-03 -0.143631D-03 0.353031D-02 0.185229D-02 12 -0.957285D-02 -0.922936D-03 -0.449164D-02 0.158946D-01 -0.281407D-02 13 -0.284215D-02 -0.585350D-02 -0.197351D-02 0.520975D-03 -0.155308D-02 14 -0.797663D-02 -0.167385D-01 -0.707805D-02 -0.270341D-02 -0.578561D-02 15 -0.144181D-02 -0.412617D-02 -0.142833D-02 0.265774D-02 0.871611D-02 16 0.683576D-03 -0.700786D-03 -0.558246D-03 0.267258D-03 0.477811D-02 17 0.481454D-03 -0.851104D-03 -0.236960D-03 0.181152D-02 -0.255652D-01 18 0.673247D-03 -0.293637D-03 -0.879682D-03 0.334393D-03 -0.737571D-02 19 -0.187802D-02 0.363792D-05 -0.356138D-03 -0.172958D-01 -0.149138D-01 20 -0.923181D-04 -0.155906D-02 -0.145575D-03 -0.153974D-01 -0.445677D-02 21 -0.326770D-03 -0.544334D-05 -0.207468D-02 -0.384481D-02 -0.310089D-02 22 -0.873078D-03 -0.145817D-04 0.309229D-03 -0.174121D-02 -0.179683D-03 23 -0.554664D-03 -0.740647D-03 0.555958D-03 -0.304246D-03 -0.188602D-02 24 -0.108746D-02 -0.281352D-03 0.570244D-03 0.295844D-03 0.261598D-03 25 0.302504D-03 -0.230141D-02 0.636575D-03 -0.177618D-02 0.263571D-03 26 -0.587177D-03 -0.229249D-02 -0.191973D-03 0.599691D-03 -0.121920D-02 27 0.210411D-03 -0.255543D-02 0.119444D-02 -0.553686D-03 0.181384D-03 28 -0.151643D-03 0.134453D-02 -0.466312D-03 0.665812D-03 -0.281879D-03 29 0.289580D-03 -0.760292D-04 0.409929D-03 -0.117681D-03 0.492028D-03 30 -0.206228D-03 0.184661D-02 -0.792809D-03 0.117371D-03 0.149202D-03 6 7 8 9 10 6 0.430642D-01 7 -0.602482D-02 0.163508D-01 8 0.398976D-02 -0.101709D-01 0.322937D-01 9 -0.429557D-02 0.959958D-02 -0.194431D-01 0.301279D-01 10 0.154172D-01 -0.404391D-03 -0.185174D-03 -0.171561D-03 0.468476D-01 11 -0.328457D-02 0.433214D-03 -0.265563D-02 0.554196D-02 0.134287D-02 12 -0.560690D-02 -0.245372D-02 0.896857D-02 -0.207770D-01 -0.382771D-02 13 0.155621D-02 -0.247794D-02 -0.228246D-03 0.211099D-03 -0.200599D-02 14 0.876014D-02 -0.229495D-03 -0.212723D-02 -0.426337D-03 0.815300D-02 15 -0.526226D-02 0.210177D-03 -0.421695D-03 -0.220350D-02 -0.162391D-02 16 0.961451D-03 -0.680831D-03 0.279100D-03 0.228063D-03 -0.184645D-02 17 -0.548387D-02 0.520351D-03 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-0.444367D+00 0.411378D+00 Leave Link 716 at Fri Apr 11 14:52:27 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000121250 RMS 0.000027203 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 --- 0.00000 0.00173 0.00355 0.00469 0.00506 Eigenvalues --- 0.01221 0.01289 0.01303 0.01376 0.01418 Eigenvalues --- 0.01502 0.01552 0.01911 0.02055 0.02089 Eigenvalues --- 0.02270 0.02434 0.02648 0.02748 0.02778 Eigenvalues --- 0.03579 0.03890 0.08924 1.018601000.00000 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 Angle between quadratic step and forces= 86.29 degrees. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00101020 RMS(Int)= 0.01495079 Iteration 2 RMS(Cart)= 0.00090015 RMS(Int)= 0.00948494 Iteration 3 RMS(Cart)= 0.00079244 RMS(Int)= 0.00504565 Iteration 4 RMS(Cart)= 0.00065552 RMS(Int)= 0.00191794 Iteration 5 RMS(Cart)= 0.00046601 RMS(Int)= 0.00037250 Iteration 6 RMS(Cart)= 0.00023248 RMS(Int)= 0.00003401 Iteration 7 RMS(Cart)= 0.00004195 RMS(Int)= 0.00001349 Iteration 8 RMS(Cart)= 0.00000000 RMS(Int)= 0.00001349 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.68350 0.00007 0.00000 0.00283 0.00283 4.68633 R2 4.68401 0.00004 0.00000 0.00145 0.00145 4.68546 R3 4.76722 0.00008 0.00000 0.00370 0.00370 4.77092 R4 4.74788 0.00002 0.00000 0.00028 0.00027 4.74815 R5 4.71709 0.00003 0.00000 0.00042 0.00042 4.71751 R6 4.68395 0.00004 0.00000 0.00183 0.00183 4.68578 R7 4.71997 -0.00003 0.00000 -0.00175 -0.00176 4.71821 R8 4.74427 0.00006 0.00000 0.00277 0.00278 4.74704 R9 4.74594 0.00002 0.00000 0.00041 0.00041 4.74635 R10 4.71843 -0.00001 0.00000 -0.00098 -0.00097 4.71746 R11 4.68567 0.00005 0.00000 0.00152 0.00151 4.68718 R12 4.77347 0.00000 0.00000 -0.00228 -0.00228 4.77119 R13 4.99857 -0.00002 0.00000 -0.00604 -0.00603 4.99254 R14 4.77083 0.00001 0.00000 -0.00002 -0.00002 4.77081 R15 3.62541 -0.00011 0.00000 -0.00131 -0.00131 3.62410 R16 4.68612 0.00002 0.00000 0.00150 0.00149 4.68761 R17 4.68479 0.00006 0.00000 0.00241 0.00242 4.68721 R18 2.21069 -0.00012 0.00000 -0.00009 -0.00009 2.21059 A1 1.11203 0.00000 0.00000 -0.00037 -0.00037 1.11166 A2 1.11151 0.00000 0.00000 0.00014 0.00015 1.11166 A3 1.97058 0.00001 0.00000 0.00120 0.00120 1.97178 A4 1.95905 -0.00002 0.00000 -0.00112 -0.00112 1.95793 A5 1.90451 -0.00001 0.00000 -0.00100 -0.00100 1.90351 A6 1.97223 0.00001 0.00000 0.00004 0.00004 1.97227 A7 1.90287 0.00000 0.00000 0.00053 0.00053 1.90340 A8 1.97157 0.00001 0.00000 0.00084 0.00084 1.97241 A9 1.90482 -0.00001 0.00000 -0.00082 -0.00083 1.90400 A10 1.95898 -0.00001 0.00000 -0.00116 -0.00116 1.95782 A11 1.90289 0.00000 0.00000 0.00051 0.00051 1.90340 A12 1.97213 0.00001 0.00000 0.00013 0.00013 1.97226 A13 1.90600 0.00000 0.00000 -0.00007 -0.00007 1.90593 A14 1.80334 -0.00001 0.00000 0.00003 0.00002 1.80337 A15 1.90738 -0.00001 0.00000 -0.00129 -0.00129 1.90609 A16 1.92372 -0.00002 0.00000 -0.00712 -0.00713 1.91659 A17 1.90298 0.00002 0.00000 0.00288 0.00288 1.90586 A18 1.90676 0.00001 0.00000 0.00702 0.00698 1.91374 A19 2.55608 0.00003 0.00000 0.00716 0.00715 2.56323 A20 1.91682 0.00000 0.00000 -0.00130 -0.00129 1.91553 A21 1.11113 0.00001 0.00000 0.00056 0.00056 1.11170 A22 1.07671 0.00002 0.00000 0.00147 0.00148 1.07818 A23 1.90230 0.00002 0.00000 0.00089 0.00089 1.90318 A24 1.95068 0.00004 0.00000 0.00236 0.00236 1.95305 A25 1.97215 0.00001 0.00000 0.00011 0.00011 1.97226 A26 1.97187 0.00002 0.00000 0.00060 0.00060 1.97247 A27 1.07644 0.00002 0.00000 0.00171 0.00171 1.07815 A28 1.90182 0.00002 0.00000 0.00104 0.00105 1.90287 A29 1.95588 0.00000 0.00000 0.00109 0.00109 1.95697 A30 1.11081 0.00001 0.00000 0.00063 0.00064 1.11145 A31 3.13322 0.00004 0.00000 0.00642 0.00642 3.13964 D1 1.79102 0.00000 0.00000 -0.00060 -0.00059 1.79042 D2 -0.46277 0.00000 0.00000 -0.00072 -0.00072 -0.46349 D3 0.65930 0.00000 0.00000 -0.00082 -0.00082 0.65848 D4 -1.79254 0.00001 0.00000 0.00182 0.00182 -1.79072 D5 -0.65985 0.00000 0.00000 0.00159 0.00159 -0.65826 D6 0.46192 0.00001 0.00000 0.00172 0.00171 0.46363 D7 0.44377 0.00001 0.00000 0.00130 0.00130 0.44508 D8 -0.59635 0.00001 0.00000 -0.00009 -0.00009 -0.59644 D9 -1.63653 -0.00001 0.00000 -0.00138 -0.00138 -1.63790 D10 2.53858 0.00001 0.00000 0.00551 0.00546 2.54403 D11 1.63666 0.00000 0.00000 0.00088 0.00088 1.63754 D12 0.59654 0.00000 0.00000 -0.00051 -0.00051 0.59602 D13 -0.44364 -0.00002 0.00000 -0.00180 -0.00180 -0.44544 D14 -2.55172 0.00000 0.00000 0.00509 0.00503 -2.54669 D15 0.00013 0.00000 0.00000 -0.00006 -0.00006 0.00007 D16 0.46234 0.00001 0.00000 0.00111 0.00111 0.46345 D17 -1.79059 0.00000 0.00000 0.00039 0.00039 -1.79020 D18 -0.65914 0.00001 0.00000 0.00121 0.00121 -0.65793 D19 -0.63721 0.00000 0.00000 0.00004 0.00004 -0.63718 D20 -0.00275 0.00001 0.00000 0.00165 0.00165 -0.00110 D21 0.63765 0.00000 0.00000 -0.00068 -0.00068 0.63698 D22 0.00205 0.00000 0.00000 -0.00162 -0.00162 0.00043 D23 -0.46171 -0.00002 0.00000 -0.00198 -0.00198 -0.46369 D24 0.65955 -0.00001 0.00000 -0.00154 -0.00154 0.65801 D25 1.79246 -0.00001 0.00000 -0.00172 -0.00172 1.79073 D26 -0.44394 -0.00001 0.00000 -0.00119 -0.00119 -0.44512 D27 1.63909 -0.00001 0.00000 -0.00109 -0.00109 1.63800 D28 -2.54915 0.00001 0.00000 0.00328 0.00332 -2.54583 D29 0.60352 0.00000 0.00000 0.00009 0.00009 0.60361 D30 -0.00105 0.00001 0.00000 0.00108 0.00108 0.00003 D31 -0.60393 0.00000 0.00000 0.00075 0.00075 -0.60318 D32 -2.52676 -0.00001 0.00000 -0.00927 -0.00930 -2.53606 D33 -3.13133 0.00000 0.00000 -0.00828 -0.00831 -3.13964 D34 2.54899 -0.00001 0.00000 -0.00861 -0.00864 2.54035 D35 0.44364 0.00001 0.00000 0.00168 0.00168 0.44532 D36 -1.63853 0.00001 0.00000 0.00082 0.00083 -1.63771 D37 2.55592 -0.00002 0.00000 -0.00873 -0.00871 2.54722 D38 -2.64672 -0.00001 0.00000 -0.10474 -0.10471 -2.75143 D39 -0.55237 -0.00002 0.00000 -0.10482 -0.10485 -0.65722 D40 0.48314 0.00000 0.00000 -0.09500 -0.09497 0.38817 D41 1.53405 0.00002 0.00000 -0.09779 -0.09781 1.43624 Item Value Threshold Converged? 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(THE REST OF US WILL ESCAPE TO THE STARS) Job cpu time: 0 days 0 hours 26 minutes 47.3 seconds. File lengths (MBytes): RWF= 95 Int= 0 D2E= 0 Chk= 16 Scr= 1 Normal termination of Gaussian 03 at Fri Apr 11 14:52:28 2008.