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/331957/Gau-10264.inp -scrdir=/scratch/batch/331957/ Entering Link 1 = /usr/apps/chemistry/gaussian/G03/e01/g03/l1.exe PID= 10265. 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=Cu8CO06.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 14:21:42 2008, MaxMem= 1258291200 cpu: 0.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l101.exe) ------- Cu8CO06 ------- Redundant internal coordinates taken from checkpoint file: Cu8CO06.chk Charge = 0 Multiplicity = 1 Cu,0,0.665733967,0.9479351623,0.8144097511 Cu,0,1.9483550331,-0.0887957846,-1.0385001055 Cu,0,-0.5167589647,0.1165030678,-1.2208968847 Cu,0,-1.4324835961,2.0892391749,0.0341547433 Cu,0,0.2734834572,-0.6338993331,2.6824010251 Cu,0,0.5870716462,-1.6583539104,0.3938220466 Cu,0,-1.6740132284,-2.0067969166,-0.6717510542 Cu,0,-1.5328954898,-0.2114089828,1.035629135 C,0,1.464674604,-3.3526686263,0.5874204776 O,0,1.9797832609,-4.394897831,0.7172572861 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 14:21:43 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) 2.4806 estimate D2E/DX2 ! ! R2 R(1,4) 2.5127 estimate D2E/DX2 ! ! R3 R(1,5) 2.479 estimate D2E/DX2 ! ! R4 R(2,3) 2.4804 estimate D2E/DX2 ! ! R5 R(2,6) 2.5235 estimate D2E/DX2 ! ! R6 R(3,4) 2.5111 estimate D2E/DX2 ! ! R7 R(3,7) 2.4798 estimate D2E/DX2 ! ! R8 R(4,8) 2.5112 estimate D2E/DX2 ! ! R9 R(5,6) 2.5269 estimate D2E/DX2 ! ! R10 R(5,8) 2.4806 estimate D2E/DX2 ! ! R11 R(5,9) 3.6331 estimate D2E/DX2 ! ! R12 R(6,7) 2.5238 estimate D2E/DX2 ! ! R13 R(6,9) 1.9179 estimate D2E/DX2 ! ! R14 R(7,8) 2.4816 estimate D2E/DX2 ! ! R15 R(7,9) 3.6398 estimate D2E/DX2 ! ! R16 R(8,9) 4.3651 estimate D2E/DX2 ! ! R17 R(9,10) 1.1698 estimate D2E/DX2 ! ! A1 A(2,1,4) 112.9327 estimate D2E/DX2 ! ! A2 A(2,1,5) 112.2093 estimate D2E/DX2 ! ! A3 A(4,1,5) 113.0593 estimate D2E/DX2 ! ! A4 A(1,2,3) 60.4257 estimate D2E/DX2 ! ! A5 A(1,2,6) 63.7077 estimate D2E/DX2 ! ! A6 A(3,2,6) 63.7107 estimate D2E/DX2 ! ! A7 A(2,3,4) 112.9985 estimate D2E/DX2 ! ! A8 A(2,3,7) 112.1266 estimate D2E/DX2 ! ! A9 A(4,3,7) 113.0677 estimate D2E/DX2 ! ! A10 A(1,4,3) 59.5923 estimate D2E/DX2 ! ! A11 A(1,4,8) 59.5641 estimate D2E/DX2 ! ! A12 A(3,4,8) 59.6124 estimate D2E/DX2 ! ! A13 A(1,5,6) 63.6796 estimate D2E/DX2 ! ! A14 A(1,5,8) 60.4165 estimate D2E/DX2 ! ! A15 A(1,5,9) 89.491 estimate D2E/DX2 ! ! A16 A(6,5,8) 63.7798 estimate D2E/DX2 ! ! A17 A(2,6,5) 109.1982 estimate D2E/DX2 ! ! A18 A(2,6,7) 109.2397 estimate D2E/DX2 ! ! A19 A(2,6,9) 111.0951 estimate D2E/DX2 ! ! A20 A(5,6,7) 109.0978 estimate D2E/DX2 ! ! A21 A(3,7,6) 63.7157 estimate D2E/DX2 ! ! A22 A(3,7,8) 60.4191 estimate D2E/DX2 ! ! A23 A(3,7,9) 89.4725 estimate D2E/DX2 ! ! A24 A(6,7,8) 63.8118 estimate D2E/DX2 ! ! A25 A(4,8,5) 113.0587 estimate D2E/DX2 ! ! A26 A(4,8,7) 112.9987 estimate D2E/DX2 ! ! A27 A(4,8,9) 126.2205 estimate D2E/DX2 ! ! A28 A(5,8,7) 112.02 estimate D2E/DX2 ! ! A29 A(5,9,7) 68.9028 estimate D2E/DX2 ! ! A30 A(5,9,10) 138.3391 estimate D2E/DX2 ! ! A31 A(6,9,8) 20.0146 estimate D2E/DX2 ! ! A32 A(6,9,10) 178.7778 estimate D2E/DX2 ! ! A33 A(7,9,10) 138.3785 estimate D2E/DX2 ! ! A34 A(8,9,10) 158.7721 estimate D2E/DX2 ! ! A35 L(1,5,9,2,-1) 90.1627 estimate D2E/DX2 ! ! A36 L(2,6,9,1,-1) 204.7114 estimate D2E/DX2 ! ! A37 L(3,7,9,2,-1) 90.1699 estimate D2E/DX2 ! ! A38 L(4,8,9,1,-1) 134.0001 estimate D2E/DX2 ! ! A39 L(1,5,9,2,-2) 192.9085 estimate D2E/DX2 ! ! A40 L(2,6,9,1,-2) 281.9848 estimate D2E/DX2 ! ! A41 L(3,7,9,2,-2) 166.8492 estimate D2E/DX2 ! ! A42 L(4,8,9,1,-2) 208.8947 estimate D2E/DX2 ! ! D1 D(4,1,2,3) -29.3722 estimate D2E/DX2 ! ! D2 D(4,1,2,6) -102.6556 estimate D2E/DX2 ! ! D3 D(5,1,2,3) 99.8345 estimate D2E/DX2 ! ! D4 D(5,1,2,6) 26.5511 estimate D2E/DX2 ! ! D5 D(2,1,4,3) 29.2467 estimate D2E/DX2 ! ! D6 D(2,1,4,8) 99.6464 estimate D2E/DX2 ! ! D7 D(5,1,4,3) -99.5222 estimate D2E/DX2 ! ! D8 D(5,1,4,8) -29.1224 estimate D2E/DX2 ! ! D9 D(2,1,5,6) -26.5193 estimate D2E/DX2 ! ! D10 D(2,1,5,8) -99.9012 estimate D2E/DX2 ! ! D11 D(2,1,5,9) -10.7057 estimate D2E/DX2 ! ! D12 D(4,1,5,6) 102.6215 estimate D2E/DX2 ! ! D13 D(4,1,5,8) 29.2395 estimate D2E/DX2 ! ! D14 D(4,1,5,9) 118.4351 estimate D2E/DX2 ! ! D15 D(2,1,9,7) -95.4551 estimate D2E/DX2 ! ! D16 D(2,1,9,10) 89.7219 estimate D2E/DX2 ! ! D17 D(4,1,9,7) 0.7099 estimate D2E/DX2 ! ! D18 D(4,1,9,10) -174.1131 estimate D2E/DX2 ! ! D19 D(1,2,3,4) 29.4096 estimate D2E/DX2 ! ! D20 D(1,2,3,7) -99.7933 estimate D2E/DX2 ! ! D21 D(6,2,3,4) 102.6879 estimate D2E/DX2 ! ! D22 D(6,2,3,7) -26.515 estimate D2E/DX2 ! ! D23 D(1,2,6,5) -25.4605 estimate D2E/DX2 ! ! D24 D(1,2,6,7) 93.7795 estimate D2E/DX2 ! ! D25 D(1,2,6,9) -145.5596 estimate D2E/DX2 ! ! D26 D(3,2,6,5) -93.7483 estimate D2E/DX2 ! ! D27 D(3,2,6,7) 25.4918 estimate D2E/DX2 ! ! D28 D(3,2,6,9) 146.1527 estimate D2E/DX2 ! ! D29 D(1,2,9,8) 30.2645 estimate D2E/DX2 ! ! D30 D(1,2,9,10) -149.7451 estimate D2E/DX2 ! ! D31 D(3,2,9,8) -30.1836 estimate D2E/DX2 ! ! D32 D(3,2,9,10) 149.8068 estimate D2E/DX2 ! ! D33 D(2,3,4,1) -29.2649 estimate D2E/DX2 ! ! D34 D(2,3,4,8) -99.5851 estimate D2E/DX2 ! ! D35 D(7,3,4,1) 99.4537 estimate D2E/DX2 ! ! D36 D(7,3,4,8) 29.1335 estimate D2E/DX2 ! ! D37 D(2,3,7,6) 26.5111 estimate D2E/DX2 ! ! D38 D(2,3,7,8) 99.9145 estimate D2E/DX2 ! ! D39 D(2,3,7,9) 10.9021 estimate D2E/DX2 ! ! D40 D(4,3,7,6) -102.6558 estimate D2E/DX2 ! ! D41 D(4,3,7,8) -29.2524 estimate D2E/DX2 ! ! D42 D(4,3,7,9) -118.2647 estimate D2E/DX2 ! ! D43 D(2,3,9,5) 95.6737 estimate D2E/DX2 ! ! D44 D(2,3,9,10) -89.5257 estimate D2E/DX2 ! ! D45 D(4,3,9,5) -0.5972 estimate D2E/DX2 ! ! D46 D(4,3,9,10) 174.2034 estimate D2E/DX2 ! ! D47 D(1,4,8,5) 29.1018 estimate D2E/DX2 ! ! D48 D(1,4,8,7) -99.4597 estimate D2E/DX2 ! ! D49 D(1,4,8,9) -35.1013 estimate D2E/DX2 ! ! D50 D(3,4,8,5) 99.4684 estimate D2E/DX2 ! ! D51 D(3,4,8,7) -29.0931 estimate D2E/DX2 ! ! D52 D(3,4,8,9) 35.2653 estimate D2E/DX2 ! ! D53 D(1,4,9,6) -70.4304 estimate D2E/DX2 ! ! D54 D(1,4,9,10) 119.5715 estimate D2E/DX2 ! ! D55 D(3,4,9,6) 48.7456 estimate D2E/DX2 ! ! D56 D(3,4,9,10) -121.2525 estimate D2E/DX2 ! ! D57 D(1,5,6,2) 25.4844 estimate D2E/DX2 ! ! D58 D(1,5,6,7) -93.8436 estimate D2E/DX2 ! ! D59 D(8,5,6,2) 93.7476 estimate D2E/DX2 ! ! D60 D(8,5,6,7) -25.5804 estimate D2E/DX2 ! ! D61 D(1,5,8,4) -29.2594 estimate D2E/DX2 ! ! D62 D(1,5,8,7) 99.8062 estimate D2E/DX2 ! ! D63 D(6,5,8,4) -102.4765 estimate D2E/DX2 ! ! D64 D(6,5,8,7) 26.5892 estimate D2E/DX2 ! ! D65 D(1,5,9,7) -67.0768 estimate D2E/DX2 ! ! D66 D(1,5,9,10) 152.409 estimate D2E/DX2 ! ! D67 D(2,6,7,3) -25.4973 estimate D2E/DX2 ! ! D68 D(2,6,7,8) -93.7408 estimate D2E/DX2 ! ! D69 D(5,6,7,3) 93.805 estimate D2E/DX2 ! ! D70 D(5,6,7,8) 25.5614 estimate D2E/DX2 ! ! D71 D(2,6,9,8) 179.457 estimate D2E/DX2 ! ! D72 D(2,6,9,10) -173.4181 estimate D2E/DX2 ! ! D73 D(3,7,8,4) 29.2343 estimate D2E/DX2 ! ! D74 D(3,7,8,5) -99.8627 estimate D2E/DX2 ! ! D75 D(6,7,8,4) 102.4796 estimate D2E/DX2 ! ! D76 D(6,7,8,5) -26.6174 estimate D2E/DX2 ! ! D77 D(3,7,9,5) 67.0774 estimate D2E/DX2 ! ! D78 D(3,7,9,10) -152.4449 estimate D2E/DX2 ! ! D79 D(4,8,9,6) -0.5126 estimate D2E/DX2 ! ! D80 D(4,8,9,10) 179.9061 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 14:21:43 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 0.665734 0.947935 0.814410 2 29 0 1.948355 -0.088796 -1.038500 3 29 0 -0.516759 0.116503 -1.220897 4 29 0 -1.432484 2.089239 0.034155 5 29 0 0.273483 -0.633899 2.682401 6 29 0 0.587072 -1.658354 0.393822 7 29 0 -1.674013 -2.006797 -0.671751 8 29 0 -1.532895 -0.211409 1.035629 9 6 0 1.464675 -3.352669 0.587420 10 8 0 1.979783 -4.394898 0.717257 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.480565 0.000000 3 Cu 2.496406 2.480364 0.000000 4 Cu 2.512745 4.162270 2.511054 0.000000 5 Cu 2.479002 4.116727 4.052570 4.164014 0.000000 6 Cu 2.641179 2.523520 2.641188 4.272285 2.526943 7 Cu 4.051362 4.115190 2.479758 4.163430 4.114356 8 Cu 2.495393 4.054152 2.496391 2.511178 2.480597 9 C 4.380071 3.678373 4.385344 6.189829 3.633123 10 O 5.502911 4.650396 5.508348 7.358956 4.573659 6 7 8 9 10 6 Cu 0.000000 7 Cu 2.523760 0.000000 8 Cu 2.645719 2.481628 0.000000 9 C 1.917908 3.639814 4.365069 0.000000 10 O 3.087544 4.580677 5.471915 1.169802 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): 0.3466437 0.2520527 0.2519521 Leave Link 202 at Fri Apr 11 14:21:43 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2113.9730783275 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 14:21:44 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 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 14:21:46 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 14:21:47 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= -1513.45373927174 Leave Link 401 at Fri Apr 11 14:21:50 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= -1679.68966261577 DIIS: error= 1.34D-01 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1679.68966261577 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= -0.027 Goal= None Shift= 0.000 GapD= -0.027 DampG=0.250 DampE=0.125 DampFc=0.1250 IDamp=-1. Damping current iteration by 1.25D-01 RMSDP=3.25D+00 MaxDP=1.37D+02 OVMax= 9.81D-01 Cycle 2 Pass 1 IDiag 1: E= -1677.09951328588 Delta-E= 2.590149329887 Rises=F Damp=T DIIS: error= 4.66D-02 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1679.68966261577 IErMin= 2 ErrMin= 4.66D-02 ErrMax= 4.66D-02 EMaxC= 1.00D-01 BMatC= 4.41D-01 BMatP= 3.96D+00 IDIUse=3 WtCom= 5.34D-01 WtEn= 4.66D-01 Coeff-Com: -0.610D-01 0.106D+01 Coeff-En: 0.731D+00 0.269D+00 Coeff: 0.308D+00 0.692D+00 Gap= 0.002 Goal= None Shift= 0.000 RMSDP=4.04D-01 MaxDP=1.71D+01 DE= 2.59D+00 OVMax= 8.95D-01 Cycle 3 Pass 1 IDiag 1: E= -1681.21399858600 Delta-E= -4.114485300121 Rises=F Damp=F DIIS: error= 9.07D-02 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1681.21399858600 IErMin= 2 ErrMin= 4.66D-02 ErrMax= 9.07D-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 0.553D-02 0.753D+00 Coeff: 0.241D+00 0.553D-02 0.753D+00 Gap= 1.009 Goal= None Shift= 0.000 RMSDP=6.92D-01 MaxDP=4.51D+01 DE=-4.11D+00 OVMax= 8.51D-01 Cycle 4 Pass 1 IDiag 1: E= -1508.48592885854 Delta-E= 172.728069727464 Rises=F Damp=F DIIS: error= 4.55D-01 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 3 EnMin= -1681.21399858600 IErMin= 2 ErrMin= 4.66D-02 ErrMax= 4.55D-01 EMaxC= 1.00D-01 BMatC= 8.73D+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 0.719D+00 0.244D-01 Coeff: 0.257D+00 0.000D+00 0.719D+00 0.244D-01 Gap= -0.021 Goal= None Shift= 0.000 RMSDP=6.89D-01 MaxDP=4.47D+01 DE= 1.73D+02 OVMax= 8.51D-01 Cycle 5 Pass 1 IDiag 1: E= -1672.92923764043 Delta-E= -164.443308781887 Rises=F Damp=F DIIS: error= 2.21D-01 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 3 EnMin= -1681.21399858600 IErMin= 2 ErrMin= 4.66D-02 ErrMax= 2.21D-01 EMaxC= 1.00D-01 BMatC= 1.25D+01 BMatP= 4.41D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 2 forward-backward iterations Coeff-En: 0.205D+00 0.000D+00 0.621D+00 0.000D+00 0.174D+00 Coeff: 0.205D+00 0.000D+00 0.621D+00 0.000D+00 0.174D+00 Gap= -0.167 Goal= None Shift= 0.000 RMSDP=1.87D-02 MaxDP=1.10D+00 DE=-1.64D+02 OVMax= 7.24D-01 Cycle 6 Pass 1 IDiag 1: E= -1681.42583432357 Delta-E= -8.496596683140 Rises=F Damp=F DIIS: error= 8.45D-02 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1681.42583432357 IErMin= 2 ErrMin= 4.66D-02 ErrMax= 8.45D-02 EMaxC= 1.00D-01 BMatC= 1.58D+00 BMatP= 4.41D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 4 forward-backward iterations Coeff-En: 0.248D-01 0.000D+00 0.461D+00 0.000D+00 0.311D-01 0.483D+00 Coeff: 0.248D-01 0.000D+00 0.461D+00 0.000D+00 0.311D-01 0.483D+00 Gap= 0.240 Goal= None Shift= 0.000 RMSDP=1.66D-02 MaxDP=6.49D-01 DE=-8.50D+00 OVMax= 7.81D-01 Cycle 7 Pass 1 IDiag 1: E= -1666.44029268151 Delta-E= 14.985541642056 Rises=F Damp=F DIIS: error= 3.66D-01 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 6 EnMin= -1681.42583432357 IErMin= 2 ErrMin= 4.66D-02 ErrMax= 3.66D-01 EMaxC= 1.00D-01 BMatC= 2.91D+01 BMatP= 4.41D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 3 forward-backward iterations Coeff-En: 0.915D-03 0.000D+00 0.430D+00 0.000D+00 0.000D+00 0.512D+00 Coeff-En: 0.569D-01 Coeff: 0.915D-03 0.000D+00 0.430D+00 0.000D+00 0.000D+00 0.512D+00 Coeff: 0.569D-01 Gap= 0.071 Goal= None Shift= 0.000 RMSDP=9.94D-03 MaxDP=4.91D-01 DE= 1.50D+01 OVMax= 6.33D-01 Cycle 8 Pass 1 IDiag 1: E= -1682.31994103902 Delta-E= -15.879648357511 Rises=F Damp=F DIIS: error= 5.39D-02 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.31994103902 IErMin= 2 ErrMin= 4.66D-02 ErrMax= 5.39D-02 EMaxC= 1.00D-01 BMatC= 6.14D-01 BMatP= 4.41D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 4 forward-backward iterations Coeff-En: 0.000D+00 0.000D+00 0.850D-01 0.000D+00 0.000D+00 0.271D+00 Coeff-En: 0.000D+00 0.644D+00 Coeff: 0.000D+00 0.000D+00 0.850D-01 0.000D+00 0.000D+00 0.271D+00 Coeff: 0.000D+00 0.644D+00 Gap= 0.151 Goal= None Shift= 0.000 RMSDP=9.96D-03 MaxDP=3.36D-01 DE=-1.59D+01 OVMax= 1.91D-01 Cycle 9 Pass 1 IDiag 1: E= -1682.31141767952 Delta-E= 0.008523359501 Rises=F Damp=F DIIS: error= 4.75D-02 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 8 EnMin= -1682.31994103902 IErMin= 2 ErrMin= 4.66D-02 ErrMax= 4.75D-02 EMaxC= 1.00D-01 BMatC= 6.42D-01 BMatP= 4.41D-01 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 4 forward-backward iterations Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.262D-01 Coeff-En: 0.000D+00 0.501D+00 0.473D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.262D-01 Coeff: 0.000D+00 0.501D+00 0.473D+00 Gap= 0.111 Goal= None Shift= 0.000 RMSDP=5.25D-03 MaxDP=2.05D-01 DE= 8.52D-03 OVMax= 2.27D-01 Cycle 10 Pass 1 IDiag 1: E= -1682.59930765260 Delta-E= -0.287889973083 Rises=F Damp=F DIIS: error= 4.53D-02 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.59930765260 IErMin=10 ErrMin= 4.53D-02 ErrMax= 4.53D-02 EMaxC= 1.00D-01 BMatC= 1.88D-01 BMatP= 4.41D-01 IDIUse=3 WtCom= 5.47D-01 WtEn= 4.53D-01 EnCoef did 4 forward-backward iterations Coeff-Com: -0.113D-01 0.916D-02-0.207D-01 0.236D-03-0.506D-02-0.514D-01 Coeff-Com: -0.550D-02 0.339D+00 0.337D+00 0.409D+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 0.256D+00 0.253D+00 0.490D+00 Coeff: -0.615D-02 0.501D-02-0.113D-01 0.129D-03-0.276D-02-0.281D-01 Coeff: -0.301D-02 0.301D+00 0.299D+00 0.446D+00 Gap= 0.110 Goal= None Shift= 0.000 RMSDP=2.57D-03 MaxDP=1.23D-01 DE=-2.88D-01 OVMax= 1.49D-01 Cycle 11 Pass 1 IDiag 1: E= -1682.73480471527 Delta-E= -0.135497062666 Rises=F Damp=F DIIS: error= 1.35D-02 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.73480471527 IErMin=11 ErrMin= 1.35D-02 ErrMax= 1.35D-02 EMaxC= 1.00D-01 BMatC= 2.08D-02 BMatP= 1.88D-01 IDIUse=3 WtCom= 8.65D-01 WtEn= 1.35D-01 Coeff-Com: -0.363D-02 0.901D-02-0.862D-02 0.208D-04-0.177D-02-0.273D-01 Coeff-Com: -0.138D-02 0.864D-01 0.105D+00 0.308D+00 0.534D+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 0.137D+00 0.863D+00 Coeff: -0.314D-02 0.780D-02-0.746D-02 0.180D-04-0.153D-02-0.236D-01 Coeff: -0.120D-02 0.747D-01 0.912D-01 0.285D+00 0.578D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=8.90D-04 MaxDP=3.02D-02 DE=-1.35D-01 OVMax= 3.63D-02 Cycle 12 Pass 1 IDiag 1: E= -1682.74886417359 Delta-E= -0.014059458320 Rises=F Damp=F DIIS: error= 2.28D-03 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.74886417359 IErMin=12 ErrMin= 2.28D-03 ErrMax= 2.28D-03 EMaxC= 1.00D-01 BMatC= 1.98D-03 BMatP= 2.08D-02 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.28D-02 Coeff-Com: -0.334D-02 0.472D-02-0.340D-02-0.909D-04-0.637D-03-0.497D-02 Coeff-Com: 0.254D-03-0.277D-02 0.756D-02 0.146D+00 0.478D+00 0.379D+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 0.594D-01 0.941D+00 Coeff: -0.327D-02 0.461D-02-0.333D-02-0.888D-04-0.623D-03-0.485D-02 Coeff: 0.248D-03-0.270D-02 0.739D-02 0.143D+00 0.468D+00 0.392D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=3.63D-04 MaxDP=9.48D-03 DE=-1.41D-02 OVMax= 8.97D-03 Cycle 13 Pass 1 IDiag 1: E= -1682.75013285440 Delta-E= -0.001268680816 Rises=F Damp=F DIIS: error= 8.35D-04 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.75013285440 IErMin=13 ErrMin= 8.35D-04 ErrMax= 8.35D-04 EMaxC= 1.00D-01 BMatC= 1.70D-04 BMatP= 1.98D-03 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.35D-03 Coeff-Com: -0.463D-02 0.412D-02-0.194D-02-0.134D-04 0.936D-04-0.945D-03 Coeff-Com: 0.536D-04-0.327D-03 0.209D-02 0.488D-01 0.167D+00 0.204D+00 Coeff-Com: 0.581D+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 0.322D-01 Coeff-En: 0.968D+00 Coeff: -0.459D-02 0.408D-02-0.193D-02-0.133D-04 0.929D-04-0.937D-03 Coeff: 0.532D-04-0.324D-03 0.207D-02 0.484D-01 0.166D+00 0.203D+00 Coeff: 0.584D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=1.04D-04 MaxDP=1.84D-03 DE=-1.27D-03 OVMax= 3.77D-03 Cycle 14 Pass 1 IDiag 1: E= -1682.75017914656 Delta-E= -0.000046292153 Rises=F Damp=F DIIS: error= 7.62D-04 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1682.75017914656 IErMin=14 ErrMin= 7.62D-04 ErrMax= 7.62D-04 EMaxC= 1.00D-01 BMatC= 1.49D-04 BMatP= 1.70D-04 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.62D-03 Coeff-Com: -0.642D-02 0.489D-02-0.244D-03-0.275D-04 0.374D-04 0.185D-02 Coeff-Com: -0.441D-05 0.357D-02-0.518D-03 0.879D-02 0.322D-01 0.689D-01 Coeff-Com: 0.365D+00 0.522D+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: 0.171D+00 0.829D+00 Coeff: -0.637D-02 0.485D-02-0.242D-03-0.273D-04 0.371D-04 0.184D-02 Coeff: -0.438D-05 0.354D-02-0.514D-03 0.872D-02 0.319D-01 0.684D-01 Coeff: 0.364D+00 0.524D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=3.65D-05 MaxDP=8.85D-04 DE=-4.63D-05 OVMax= 1.00D-03 Cycle 15 Pass 1 IDiag 1: E= -1682.75014649670 Delta-E= 0.000032649862 Rises=F Damp=F DIIS: error= 9.40D-04 at cycle 15 NSaved= 15. NSaved=15 IEnMin=14 EnMin= -1682.75017914656 IErMin=14 ErrMin= 7.62D-04 ErrMax= 9.40D-04 EMaxC= 1.00D-01 BMatC= 1.84D-04 BMatP= 1.49D-04 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.62D-03 Rare condition: small coef for last iteration: 0.000D+00 Coeff-Com: -0.676D-02 0.506D-02-0.408D-03-0.263D-04 0.102D-03 0.193D-02 Coeff-Com: -0.261D-04 0.500D-02 0.109D-02 0.440D-02 0.131D-01 0.389D-01 Coeff-Com: 0.259D+00 0.360D+00 0.319D+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: 0.357D+00 0.000D+00 0.643D+00 Coeff: -0.676D-02 0.506D-02-0.408D-03-0.263D-04 0.102D-03 0.193D-02 Coeff: -0.261D-04 0.500D-02 0.109D-02 0.440D-02 0.131D-01 0.389D-01 Coeff: 0.259D+00 0.360D+00 0.319D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=1.15D-05 MaxDP=2.95D-04 DE= 3.26D-05 OVMax= 2.20D-04 Cycle 16 Pass 1 IDiag 1: E= -1682.75012916238 Delta-E= 0.000017334317 Rises=F Damp=F DIIS: error= 9.98D-04 at cycle 16 NSaved= 16. NSaved=16 IEnMin=14 EnMin= -1682.75017914656 IErMin=14 ErrMin= 7.62D-04 ErrMax= 9.98D-04 EMaxC= 1.00D-01 BMatC= 2.04D-04 BMatP= 1.49D-04 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.62D-03 Rare condition: small coef for last iteration: 0.000D+00 Coeff-Com: -0.573D-02 0.430D-02-0.364D-04-0.235D-04 0.419D-04 0.173D-02 Coeff-Com: -0.164D-04 0.351D-02-0.136D-02 0.664D-02 0.244D-01 0.688D-01 Coeff-Com: 0.431D+00 0.794D+00 0.935D+00-0.126D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.537D+00 0.000D+00 0.000D+00 0.463D+00 Coeff: -0.573D-02 0.430D-02-0.364D-04-0.235D-04 0.419D-04 0.173D-02 Coeff: -0.164D-04 0.351D-02-0.136D-02 0.664D-02 0.244D-01 0.688D-01 Coeff: 0.431D+00 0.794D+00 0.935D+00-0.126D+01 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=2.51D-05 MaxDP=7.16D-04 DE= 1.73D-05 OVMax= 5.69D-04 Cycle 17 Pass 1 IDiag 1: E= -1682.75017377831 Delta-E= -0.000044615928 Rises=F Damp=F DIIS: error= 8.76D-04 at cycle 17 NSaved= 17. NSaved=17 IEnMin=14 EnMin= -1682.75017914656 IErMin=14 ErrMin= 7.62D-04 ErrMax= 8.76D-04 EMaxC= 1.00D-01 BMatC= 1.53D-04 BMatP= 1.49D-04 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.62D-03 EnCoef did 100 forward-backward iterations Coeff-Com: -0.111D-02 0.621D-03 0.344D-03-0.419D-05 0.552D-04 0.491D-05 Coeff-Com: 0.819D-05 0.870D-03-0.482D-02 0.913D-02 0.303D-01 0.911D-01 Coeff-Com: 0.676D+00 0.179D+01 0.322D+01-0.675D+01 0.194D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.170D+00 0.821D+00 0.000D+00 0.000D+00 0.903D-02 Coeff: -0.111D-02 0.617D-03 0.341D-03-0.416D-05 0.548D-04 0.487D-05 Coeff: 0.812D-05 0.864D-03-0.478D-02 0.906D-02 0.301D-01 0.904D-01 Coeff: 0.672D+00 0.178D+01 0.319D+01-0.670D+01 0.193D+01 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=1.06D-04 MaxDP=3.15D-03 DE=-4.46D-05 OVMax= 2.55D-03 Cycle 18 Pass 1 IDiag 1: E= -1682.75030271404 Delta-E= -0.000128935736 Rises=F Damp=F DIIS: error= 1.30D-04 at cycle 18 NSaved= 18. NSaved=18 IEnMin=18 EnMin= -1682.75030271404 IErMin=18 ErrMin= 1.30D-04 ErrMax= 1.30D-04 EMaxC= 1.00D-01 BMatC= 5.72D-06 BMatP= 1.49D-04 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.30D-03 Coeff-Com: -0.373D-03 0.156D-03 0.189D-03-0.228D-05 0.197D-04 0.208D-04 Coeff-Com: -0.150D-05 0.562D-03-0.222D-02 0.346D-02 0.907D-02 0.243D-01 Coeff-Com: 0.222D+00 0.583D+00 0.899D+00-0.213D+01 0.545D+00 0.847D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: -0.373D-03 0.156D-03 0.189D-03-0.227D-05 0.197D-04 0.208D-04 Coeff: -0.150D-05 0.562D-03-0.222D-02 0.345D-02 0.906D-02 0.243D-01 Coeff: 0.222D+00 0.582D+00 0.898D+00-0.213D+01 0.544D+00 0.847D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=1.81D-05 MaxDP=5.37D-04 DE=-1.29D-04 OVMax= 8.02D-04 Cycle 19 Pass 1 IDiag 1: E= -1682.75030697937 Delta-E= -0.000004265327 Rises=F Damp=F DIIS: error= 4.72D-05 at cycle 19 NSaved= 19. NSaved=19 IEnMin=19 EnMin= -1682.75030697937 IErMin=19 ErrMin= 4.72D-05 ErrMax= 4.72D-05 EMaxC= 1.00D-01 BMatC= 1.05D-06 BMatP= 5.72D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.896D-04 0.165D-04 0.662D-04-0.259D-06 0.352D-05-0.410D-04 Coeff-Com: 0.984D-06 0.378D-03-0.593D-03 0.108D-03-0.296D-02-0.740D-02 Coeff-Com: -0.239D-02-0.306D-03-0.148D+00 0.108D+00-0.127D+00 0.763D+00 Coeff-Com: 0.417D+00 Coeff: -0.896D-04 0.165D-04 0.662D-04-0.259D-06 0.352D-05-0.410D-04 Coeff: 0.984D-06 0.378D-03-0.593D-03 0.108D-03-0.296D-02-0.740D-02 Coeff: -0.239D-02-0.306D-03-0.148D+00 0.108D+00-0.127D+00 0.763D+00 Coeff: 0.417D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=8.54D-06 MaxDP=1.39D-04 DE=-4.27D-06 OVMax= 2.32D-04 Cycle 20 Pass 1 IDiag 1: Restarting incremental Fock formation. E= -1682.75030789926 Delta-E= -0.000000919886 Rises=F Damp=F DIIS: error= 1.18D-05 at cycle 20 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.75030789926 IErMin=20 ErrMin= 1.18D-05 ErrMax= 1.18D-05 EMaxC= 1.00D-01 BMatC= 5.37D-08 BMatP= 1.05D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.485D-04 0.104D-04 0.242D-04 0.473D-06 0.412D-05-0.639D-04 Coeff-Com: 0.225D-05 0.248D-03-0.263D-03-0.194D-03-0.293D-02-0.578D-02 Coeff-Com: -0.806D-02-0.102D-01-0.110D+00 0.122D+00-0.105D+00 0.456D+00 Coeff-Com: 0.278D+00 0.387D+00 Coeff: -0.485D-04 0.104D-04 0.242D-04 0.473D-06 0.412D-05-0.639D-04 Coeff: 0.225D-05 0.248D-03-0.263D-03-0.194D-03-0.293D-02-0.578D-02 Coeff: -0.806D-02-0.102D-01-0.110D+00 0.122D+00-0.105D+00 0.456D+00 Coeff: 0.278D+00 0.387D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=2.47D-06 MaxDP=4.51D-05 DE=-9.20D-07 OVMax= 1.29D-04 Cycle 21 Pass 1 IDiag 1: E= -1682.75030796164 Delta-E= -0.000000062382 Rises=F Damp=F DIIS: error= 6.74D-06 at cycle 21 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.75030796164 IErMin=20 ErrMin= 6.74D-06 ErrMax= 6.74D-06 EMaxC= 1.00D-01 BMatC= 9.30D-09 BMatP= 5.37D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.548D-05 0.474D-05-0.303D-05 0.923D-06 0.109D-04 0.599D-07 Coeff-Com: -0.179D-04-0.927D-05-0.110D-03-0.124D-03-0.240D-03-0.429D-02 Coeff-Com: -0.733D-02-0.451D-01 0.736D-01-0.389D-01 0.427D-01 0.217D-01 Coeff-Com: 0.816D-01 0.877D+00 Coeff: -0.548D-05 0.474D-05-0.303D-05 0.923D-06 0.109D-04 0.599D-07 Coeff: -0.179D-04-0.927D-05-0.110D-03-0.124D-03-0.240D-03-0.429D-02 Coeff: -0.733D-02-0.451D-01 0.736D-01-0.389D-01 0.427D-01 0.217D-01 Coeff: 0.816D-01 0.877D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=9.51D-07 MaxDP=2.13D-05 DE=-6.24D-08 OVMax= 3.71D-05 Cycle 22 Pass 1 IDiag 1: E= -1682.75030796932 Delta-E= -0.000000007677 Rises=F Damp=F DIIS: error= 2.02D-06 at cycle 22 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.75030796932 IErMin=20 ErrMin= 2.02D-06 ErrMax= 2.02D-06 EMaxC= 1.00D-01 BMatC= 1.66D-09 BMatP= 9.30D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.804D-06 0.310D-05-0.486D-05 0.399D-06 0.113D-04-0.313D-04 Coeff-Com: 0.198D-04-0.785D-04 0.865D-04 0.173D-03-0.325D-02-0.500D-02 Coeff-Com: -0.254D-01 0.471D-01-0.214D-01-0.616D-02-0.536D-02 0.365D-01 Coeff-Com: 0.657D+00 0.325D+00 Coeff: -0.804D-06 0.310D-05-0.486D-05 0.399D-06 0.113D-04-0.313D-04 Coeff: 0.198D-04-0.785D-04 0.865D-04 0.173D-03-0.325D-02-0.500D-02 Coeff: -0.254D-01 0.471D-01-0.214D-01-0.616D-02-0.536D-02 0.365D-01 Coeff: 0.657D+00 0.325D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=3.62D-07 MaxDP=8.18D-06 DE=-7.68D-09 OVMax= 1.32D-05 Cycle 23 Pass 1 IDiag 1: E= -1682.75030797056 Delta-E= -0.000000001245 Rises=F Damp=F DIIS: error= 7.58D-07 at cycle 23 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.75030797056 IErMin=20 ErrMin= 7.58D-07 ErrMax= 7.58D-07 EMaxC= 1.00D-01 BMatC= 1.53D-10 BMatP= 1.66D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.550D-06 0.620D-07-0.535D-06 0.114D-05-0.738D-05 0.835D-05 Coeff-Com: -0.610D-05 0.393D-04 0.105D-03-0.273D-03-0.708D-04-0.175D-02 Coeff-Com: 0.350D-02-0.554D-03-0.109D-01-0.599D-02-0.437D-02 0.507D-01 Coeff-Com: 0.137D+00 0.832D+00 Coeff: 0.550D-06 0.620D-07-0.535D-06 0.114D-05-0.738D-05 0.835D-05 Coeff: -0.610D-05 0.393D-04 0.105D-03-0.273D-03-0.708D-04-0.175D-02 Coeff: 0.350D-02-0.554D-03-0.109D-01-0.599D-02-0.437D-02 0.507D-01 Coeff: 0.137D+00 0.832D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=1.30D-07 MaxDP=2.84D-06 DE=-1.25D-09 OVMax= 5.30D-06 Cycle 24 Pass 1 IDiag 1: E= -1682.75030797070 Delta-E= -0.000000000140 Rises=F Damp=F DIIS: error= 6.28D-08 at cycle 24 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.75030797070 IErMin=20 ErrMin= 6.28D-08 ErrMax= 6.28D-08 EMaxC= 1.00D-01 BMatC= 1.55D-12 BMatP= 1.53D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.255D-07 0.153D-06-0.272D-06-0.152D-06 0.118D-05 0.113D-05 Coeff-Com: -0.383D-05-0.495D-06 0.181D-04 0.365D-05 0.710D-03-0.653D-03 Coeff-Com: 0.295D-03-0.161D-02-0.713D-03-0.179D-02-0.148D-01 0.482D-02 Coeff-Com: 0.178D+00 0.835D+00 Coeff: 0.255D-07 0.153D-06-0.272D-06-0.152D-06 0.118D-05 0.113D-05 Coeff: -0.383D-05-0.495D-06 0.181D-04 0.365D-05 0.710D-03-0.653D-03 Coeff: 0.295D-03-0.161D-02-0.713D-03-0.179D-02-0.148D-01 0.482D-02 Coeff: 0.178D+00 0.835D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=1.93D-08 MaxDP=4.14D-07 DE=-1.40D-10 OVMax= 1.31D-06 Cycle 25 Pass 1 IDiag 1: E= -1682.75030797070 Delta-E= -0.000000000002 Rises=F Damp=F DIIS: error= 3.35D-08 at cycle 25 NSaved= 20. NSaved=20 IEnMin=20 EnMin= -1682.75030797070 IErMin=20 ErrMin= 3.35D-08 ErrMax= 3.35D-08 EMaxC= 1.00D-01 BMatC= 1.69D-13 BMatP= 1.55D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.929D-07-0.163D-06 0.192D-06 0.217D-06 0.853D-06-0.293D-05 Coeff-Com: -0.368D-05 0.168D-04-0.205D-05 0.392D-03-0.482D-03 0.235D-03 Coeff-Com: -0.303D-03-0.149D-03-0.685D-03-0.893D-02-0.386D-02 0.470D-01 Coeff-Com: 0.403D+00 0.564D+00 Coeff: 0.929D-07-0.163D-06 0.192D-06 0.217D-06 0.853D-06-0.293D-05 Coeff: -0.368D-05 0.168D-04-0.205D-05 0.392D-03-0.482D-03 0.235D-03 Coeff: -0.303D-03-0.149D-03-0.685D-03-0.893D-02-0.386D-02 0.470D-01 Coeff: 0.403D+00 0.564D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=6.39D-09 MaxDP=1.19D-07 DE=-2.27D-12 OVMax= 4.08D-07 SCF Done: E(RB+HF-LYP) = -1682.75030797 A.U. after 25 cycles Convg = 0.6391D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132179389002D+03 PE=-8.338225949529D+03 EE= 3.409323174229D+03 Leave Link 502 at Fri Apr 11 14:23:01 2008, MaxMem= 1258291200 cpu: 200.3 (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 -- -19.27107 -10.35227 -4.34299 -4.30025 -4.30001 Alpha occ. eigenvalues -- -4.29993 -4.28373 -4.28371 -4.28369 -4.27254 Alpha occ. eigenvalues -- -2.85377 -2.84689 -2.84687 -2.80872 -2.80813 Alpha occ. eigenvalues -- -2.80810 -2.80714 -2.80696 -2.80692 -2.80660 Alpha occ. eigenvalues -- -2.80629 -2.80621 -2.79291 -2.79289 -2.79286 Alpha occ. eigenvalues -- -2.79016 -2.79012 -2.79010 -2.79008 -2.79004 Alpha occ. eigenvalues -- -2.79004 -2.78193 -2.77856 -2.77855 -1.18802 Alpha occ. eigenvalues -- -0.58676 -0.48336 -0.48334 -0.47414 -0.35853 Alpha occ. eigenvalues -- -0.33647 -0.33633 -0.32447 -0.32440 -0.32426 Alpha occ. eigenvalues -- -0.32136 -0.30924 -0.30751 -0.30749 -0.29897 Alpha occ. eigenvalues -- -0.29892 -0.29362 -0.29056 -0.28583 -0.28574 Alpha occ. eigenvalues -- -0.28481 -0.28474 -0.27424 -0.27422 -0.26738 Alpha occ. eigenvalues -- -0.26520 -0.26518 -0.26387 -0.26252 -0.26249 Alpha occ. eigenvalues -- -0.26123 -0.25853 -0.25851 -0.25772 -0.25770 Alpha occ. eigenvalues -- -0.25685 -0.25263 -0.25261 -0.25256 -0.24848 Alpha occ. eigenvalues -- -0.24847 -0.24816 -0.24644 -0.24335 -0.24332 Alpha occ. eigenvalues -- -0.20300 -0.20297 -0.18695 Alpha virt. eigenvalues -- -0.08621 -0.08602 -0.07931 -0.07077 -0.07059 Alpha virt. eigenvalues -- -0.04250 -0.03085 -0.03080 -0.00554 -0.00551 Alpha virt. eigenvalues -- -0.00482 0.01920 0.02286 0.02805 0.02824 Alpha virt. eigenvalues -- 0.03041 0.03891 0.04219 0.04223 0.04459 Alpha virt. eigenvalues -- 0.04469 0.04949 0.04951 0.06113 0.06808 Alpha virt. eigenvalues -- 0.07005 0.07009 0.08091 0.08096 0.08225 Alpha virt. eigenvalues -- 0.08552 0.08571 0.08574 0.10489 0.10510 Alpha virt. eigenvalues -- 0.10590 0.10815 0.11878 0.11897 0.15521 Alpha virt. eigenvalues -- 0.15528 0.19959 0.21406 0.22796 0.22849 Alpha virt. eigenvalues -- 0.24393 0.24889 0.24967 0.25848 0.28898 Alpha virt. eigenvalues -- 0.28962 0.30379 0.32174 0.32179 0.34654 Alpha virt. eigenvalues -- 0.39683 0.39915 0.53552 0.64085 0.65956 Alpha virt. eigenvalues -- 0.65983 0.67474 0.67492 0.67928 0.69818 Alpha virt. eigenvalues -- 0.70934 0.70994 0.74882 0.75149 0.79121 Alpha virt. eigenvalues -- 0.79637 0.79680 0.83493 0.85988 0.86012 Alpha virt. eigenvalues -- 0.86420 0.86920 0.87114 0.88266 0.88391 Alpha virt. eigenvalues -- 0.89055 0.93551 0.99734 1.05829 1.05855 Alpha virt. eigenvalues -- 1.06013 1.06017 1.08670 1.17078 1.17960 Alpha virt. eigenvalues -- 1.17974 1.23148 1.23322 1.28210 1.31034 Alpha virt. eigenvalues -- 1.31070 1.31675 1.31710 1.32180 1.33010 Alpha virt. eigenvalues -- 1.33086 1.35457 1.52251 1.64190 1.83993 Alpha virt. eigenvalues -- 1.84176 2.01987 2.30405 2.31087 3.67490 Alpha virt. eigenvalues -- 11.94035 Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.27107 -10.35227 -4.34299 -4.30025 -4.30001 1 1 Cu 1S -0.00006 0.00027 0.00023 0.61249 0.71172 2 2S -0.00010 0.00044 -0.00116 0.00388 0.00708 3 3S -0.00053 0.00310 -0.00372 0.01021 0.01040 4 4PX 0.00000 0.00001 -0.00002 0.00153 0.00161 5 4PY 0.00000 -0.00003 0.00011 0.00174 0.00191 6 4PZ 0.00000 0.00000 0.00001 0.00097 0.00095 7 5PX -0.00009 -0.00005 0.00018 -0.00072 -0.00196 8 5PY 0.00019 -0.00141 0.00303 -0.00208 -0.00250 9 5PZ -0.00002 -0.00022 0.00052 -0.00046 -0.00188 10 6PX -0.00013 -0.00037 0.00090 -0.00101 -0.00145 11 6PY 0.00028 0.00027 -0.00021 -0.00149 -0.00174 12 6PZ 0.00001 -0.00012 0.00025 -0.00050 -0.00155 13 7D 0 0.00000 0.00001 -0.00001 0.00008 0.00012 14 7D+1 0.00000 0.00000 0.00001 -0.00008 -0.00003 15 7D-1 0.00000 -0.00001 0.00000 -0.00002 0.00003 16 7D+2 0.00000 0.00002 0.00000 0.00001 0.00004 17 7D-2 0.00000 0.00000 -0.00001 0.00005 0.00008 18 8D 0 0.00000 -0.00010 0.00023 -0.00010 -0.00011 19 8D+1 0.00001 0.00002 -0.00007 0.00008 0.00005 20 8D-1 0.00000 0.00005 -0.00011 0.00009 0.00006 21 8D+2 0.00002 -0.00015 0.00030 -0.00008 -0.00011 22 8D-2 0.00001 0.00000 0.00002 0.00006 0.00013 23 2 Cu 1S -0.00006 0.00004 0.00069 0.00613 0.00003 24 2S -0.00007 -0.00002 -0.00056 -0.00073 0.00000 25 3S 0.00034 -0.00330 -0.00292 -0.00535 -0.00019 26 4PX 0.00001 -0.00002 0.00006 0.00012 -0.00003 27 4PY 0.00001 -0.00002 0.00004 -0.00003 -0.00002 28 4PZ -0.00001 0.00002 -0.00005 -0.00006 -0.00005 29 5PX -0.00008 0.00032 0.00073 0.00121 -0.00039 30 5PY -0.00004 0.00049 0.00125 -0.00072 -0.00031 31 5PZ 0.00006 -0.00038 -0.00094 -0.00037 -0.00078 32 6PX 0.00014 0.00101 -0.00018 0.00131 0.00028 33 6PY -0.00038 -0.00049 0.00125 0.00024 0.00016 34 6PZ 0.00007 -0.00039 -0.00042 -0.00088 0.00045 35 7D 0 0.00000 -0.00001 0.00001 0.00001 -0.00006 36 7D+1 0.00000 0.00001 0.00003 0.00003 0.00006 37 7D-1 0.00000 -0.00001 0.00005 -0.00003 -0.00004 38 7D+2 0.00000 -0.00003 0.00003 -0.00006 0.00006 39 7D-2 0.00000 0.00000 -0.00004 0.00002 0.00002 40 8D 0 -0.00001 0.00005 -0.00005 -0.00001 0.00020 41 8D+1 0.00001 -0.00010 0.00001 -0.00012 -0.00018 42 8D-1 0.00000 0.00008 -0.00015 0.00009 0.00011 43 8D+2 -0.00002 0.00019 -0.00017 0.00021 -0.00016 44 8D-2 -0.00002 0.00004 0.00003 -0.00004 -0.00006 45 3 Cu 1S -0.00006 0.00027 0.00022 0.65647 -0.70412 46 2S -0.00010 0.00045 -0.00117 0.00433 -0.00718 47 3S -0.00053 0.00315 -0.00371 0.01084 -0.01018 48 4PX 0.00000 0.00001 -0.00005 -0.00048 0.00045 49 4PY 0.00000 -0.00003 0.00009 0.00037 -0.00045 50 4PZ 0.00000 0.00000 -0.00005 -0.00261 0.00255 51 5PX -0.00009 0.00060 -0.00127 0.00068 -0.00106 52 5PY 0.00019 -0.00098 0.00203 -0.00116 0.00030 53 5PZ -0.00003 0.00089 -0.00196 0.00205 -0.00356 54 6PX -0.00018 -0.00020 0.00038 0.00036 -0.00086 55 6PY 0.00027 0.00041 -0.00065 -0.00057 0.00007 56 6PZ -0.00005 0.00019 -0.00067 0.00191 -0.00259 57 7D 0 0.00000 0.00000 0.00000 -0.00003 -0.00003 58 7D+1 0.00000 -0.00001 0.00000 -0.00001 -0.00002 59 7D-1 0.00000 0.00001 0.00001 -0.00003 -0.00001 60 7D+2 0.00000 0.00001 -0.00001 0.00007 -0.00009 61 7D-2 0.00000 0.00001 -0.00001 0.00010 -0.00012 62 8D 0 0.00002 0.00002 -0.00005 0.00013 -0.00014 63 8D+1 0.00000 0.00008 -0.00016 0.00009 -0.00007 64 8D-1 0.00001 -0.00012 0.00023 -0.00008 0.00014 65 8D+2 0.00000 -0.00006 0.00014 -0.00004 0.00005 66 8D-2 0.00001 -0.00011 0.00025 -0.00009 0.00004 67 4 Cu 1S 0.00000 -0.00010 0.00013 0.00371 0.00013 68 2S 0.00000 -0.00018 0.00027 -0.00126 -0.00005 69 3S -0.00047 -0.00202 0.00291 -0.00690 -0.00029 70 4PX 0.00000 0.00000 0.00000 -0.00008 -0.00003 71 4PY 0.00000 0.00000 -0.00001 0.00014 -0.00001 72 4PZ 0.00000 0.00000 0.00000 -0.00001 -0.00004 73 5PX -0.00005 -0.00023 0.00027 -0.00095 -0.00049 74 5PY 0.00010 0.00045 -0.00052 0.00152 -0.00026 75 5PZ -0.00001 -0.00005 0.00006 -0.00003 -0.00088 76 6PX 0.00002 -0.00004 0.00004 -0.00093 0.00026 77 6PY -0.00007 0.00000 -0.00001 0.00188 0.00029 78 6PZ 0.00003 0.00002 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2S -0.00138 -0.00048 0.00090 -0.00154 0.00107 25 3S -0.00026 -0.00385 0.00717 -0.00160 0.00982 26 4PX -0.00248 -0.00191 0.00444 -0.00846 0.04054 27 4PY -0.00153 -0.00247 0.00527 0.00066 -0.01295 28 4PZ 0.00207 0.00301 -0.00427 0.00462 -0.01812 29 5PX 0.00009 -0.00133 -0.00005 0.00219 -0.00034 30 5PY 0.00173 0.00105 -0.00377 -0.00234 0.00364 31 5PZ -0.00076 -0.00244 0.00010 -0.00031 -0.00131 32 6PX -0.00024 0.00459 -0.00290 -0.00049 -0.00338 33 6PY -0.00001 -0.00261 0.00914 -0.00211 -0.01079 34 6PZ 0.00013 0.00463 0.00125 0.00115 0.00640 35 7D 0 0.00003 0.00007 0.00003 -0.00002 -0.00005 36 7D+1 0.00008 0.00015 -0.00028 0.00004 -0.00031 37 7D-1 0.00009 0.00006 -0.00024 -0.00002 0.00015 38 7D+2 0.00003 -0.00002 0.00007 -0.00007 0.00041 39 7D-2 -0.00005 -0.00017 0.00021 -0.00004 -0.00011 40 8D 0 -0.00022 -0.00069 -0.00032 0.00027 0.00006 41 8D+1 -0.00025 -0.00073 0.00158 0.00016 0.00123 42 8D-1 -0.00060 -0.00020 0.00125 0.00015 -0.00073 43 8D+2 -0.00046 0.00020 -0.00047 0.00015 -0.00186 44 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0.00006 -0.00039 0.00021 0.00022 67 4 Cu 1S 0.00001 0.00000 0.00004 -0.00026 -0.00281 68 2S 0.00000 0.00000 0.00002 -0.00011 -0.00065 69 3S 0.00003 0.00000 0.00011 -0.00074 -0.00588 70 4PX 0.00167 -0.00010 0.00047 0.00193 0.01518 71 4PY 0.00124 -0.00007 0.00081 -0.00178 -0.02577 72 4PZ 0.00290 -0.00011 0.00123 -0.00031 0.00108 73 5PX -0.00233 0.00022 0.00055 0.00126 0.00050 74 5PY -0.00164 0.00015 0.00040 0.00059 -0.00169 75 5PZ -0.00401 0.00032 0.00111 -0.00085 0.00052 76 6PX 0.00440 0.00009 0.00346 0.00545 -0.00268 77 6PY 0.00308 0.00008 0.00243 0.00315 0.00659 78 6PZ 0.00752 0.00025 0.00683 -0.00386 -0.00158 79 7D 0 0.00010 -0.00001 -0.00002 0.00003 0.00031 80 7D+1 -0.00004 0.00001 0.00001 0.00002 -0.00004 81 7D-1 -0.00001 0.00000 0.00000 0.00003 0.00003 82 7D+2 -0.00003 0.00001 0.00000 0.00003 0.00028 83 7D-2 -0.00005 0.00000 0.00000 0.00002 0.00049 84 8D 0 -0.00084 0.00006 0.00018 -0.00016 -0.00166 85 8D+1 0.00013 -0.00005 -0.00023 -0.00018 0.00021 86 8D-1 0.00040 0.00001 0.00025 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0.00086 -0.00061 -0.00052 107 8D+1 0.00117 -0.00189 0.00107 0.00031 -0.00064 108 8D-1 -0.00108 -0.00115 -0.00040 0.00083 0.00103 109 8D+2 0.00047 -0.00105 0.00058 0.00072 0.00020 110 8D-2 0.00014 0.00046 -0.00028 -0.00038 0.00044 111 6 Cu 1S 0.00000 0.00000 -0.00002 0.00015 0.00252 112 2S 0.00000 0.00000 -0.00001 0.00007 0.00134 113 3S -0.00005 0.00002 0.00009 -0.00019 0.00630 114 4PX -0.00162 0.00027 0.00176 0.00291 -0.00458 115 4PY -0.00115 0.00020 0.00121 0.00196 0.00895 116 4PZ -0.00282 0.00043 0.00347 -0.00216 -0.00118 117 5PX -0.00323 0.00038 0.00179 0.00358 0.00001 118 5PY -0.00225 0.00026 0.00134 0.00151 -0.00005 119 5PZ -0.00555 0.00058 0.00359 -0.00233 -0.00009 120 6PX 0.00614 0.00010 0.00378 0.00636 -0.00118 121 6PY 0.00432 0.00008 0.00276 0.00314 0.00131 122 6PZ 0.01054 0.00026 0.00753 -0.00428 0.00024 123 7D 0 0.00006 -0.00001 -0.00003 0.00001 -0.00015 124 7D+1 -0.00003 -0.00001 -0.00012 0.00005 0.00002 125 7D-1 0.00000 0.00002 0.00020 -0.00013 -0.00005 126 7D+2 -0.00002 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-0.00010 -0.00012 146 7D+1 0.00005 -0.00011 0.00004 0.00000 0.00005 147 7D-1 0.00027 -0.00032 0.00022 -0.00008 0.00012 148 7D+2 -0.00023 0.00002 -0.00010 -0.00008 -0.00016 149 7D-2 0.00029 0.00018 0.00006 0.00016 0.00018 150 8D 0 -0.00001 0.00125 -0.00009 0.00050 0.00063 151 8D+1 -0.00014 0.00061 -0.00026 -0.00015 -0.00011 152 8D-1 -0.00117 0.00180 -0.00138 0.00047 -0.00053 153 8D+2 0.00093 -0.00012 0.00042 0.00050 0.00112 154 8D-2 -0.00136 -0.00104 -0.00048 -0.00102 -0.00060 155 8 Cu 1S 0.00000 0.00001 -0.00014 0.00228 -0.00037 156 2S -0.00001 0.00000 0.00014 -0.00222 0.00088 157 3S 0.00017 0.00035 -0.00414 0.06381 -0.00521 158 4PX 0.33044 -0.26673 0.15910 0.65733 -0.24071 159 4PY 0.23033 -0.18784 0.13896 -0.00546 0.42940 160 4PZ 0.56277 -0.46481 0.36992 -0.34693 -0.02765 161 5PX 0.00646 -0.00623 0.00399 0.02552 -0.00546 162 5PY 0.00448 -0.00443 0.00398 -0.00101 0.00835 163 5PZ 0.01091 -0.01102 0.01060 -0.01349 -0.00012 164 6PX -0.00888 0.00986 -0.00624 0.00284 -0.00005 165 6PY -0.00626 0.00682 -0.00474 0.00714 -0.00049 166 6PZ -0.01531 0.01692 -0.01008 -0.00557 0.00036 167 7D 0 0.00107 -0.00053 0.00029 0.00025 -0.00026 168 7D+1 -0.00056 0.00028 -0.00022 0.00094 -0.00017 169 7D-1 0.00006 -0.00001 0.00001 -0.00008 0.00030 170 7D+2 -0.00046 0.00021 -0.00007 -0.00085 0.00029 171 7D-2 -0.00049 0.00025 -0.00015 0.00018 -0.00061 172 8D 0 -0.00123 -0.00074 0.00127 -0.00025 0.00018 173 8D+1 0.00062 0.00049 -0.00073 0.00070 -0.00026 174 8D-1 -0.00002 -0.00019 0.00005 0.00076 0.00032 175 8D+2 0.00049 0.00044 -0.00055 -0.00024 0.00057 176 8D-2 0.00058 0.00030 -0.00048 -0.00137 0.00004 177 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00004 178 2S -0.00001 0.00000 -0.00001 0.00004 0.00097 179 3S 0.00004 0.00000 -0.00002 0.00002 -0.00343 180 4PX -0.00007 0.00001 0.00003 0.00002 -0.00021 181 4PY -0.00005 0.00000 0.00000 0.00007 0.00043 182 4PZ -0.00013 0.00001 0.00004 -0.00003 -0.00006 183 5PX 0.00093 -0.00016 -0.00096 -0.00174 -0.00019 184 5PY 0.00068 -0.00011 -0.00070 -0.00086 0.00034 185 5PZ 0.00163 -0.00025 -0.00191 0.00118 0.00004 186 10 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 187 2S 0.00000 0.00000 0.00000 0.00001 -0.00042 188 3S 0.00000 0.00000 0.00000 -0.00005 0.00178 189 4PX 0.00005 -0.00001 -0.00004 -0.00008 -0.00006 190 4PY 0.00004 -0.00001 -0.00003 -0.00002 0.00010 191 4PZ 0.00009 -0.00001 -0.00009 0.00005 0.00000 192 5PX -0.00033 0.00005 0.00032 0.00061 -0.00005 193 5PY -0.00024 0.00004 0.00024 0.00022 0.00022 194 5PZ -0.00058 0.00008 0.00065 -0.00038 -0.00009 21 22 23 24 25 O O O O O EIGENVALUES -- -2.80629 -2.80621 -2.79291 -2.79289 -2.79286 1 1 Cu 1S -0.00074 -0.00049 0.00201 0.00020 0.00101 2 2S 0.00034 0.00033 0.00223 -0.00083 -0.00080 3 3S 0.00234 0.00243 0.01440 0.01769 0.03687 4 4PX 0.49412 0.32785 0.00539 0.02089 -0.00004 5 4PY -0.43212 -0.22478 -0.01039 -0.00871 -0.03220 6 4PZ 0.21214 0.04083 -0.00712 -0.03631 0.02016 7 5PX 0.01212 0.00698 -0.00135 0.00211 0.00021 8 5PY -0.01268 -0.00779 -0.00257 -0.00214 -0.00568 9 5PZ 0.00340 0.00236 -0.00164 -0.00285 0.00120 10 6PX -0.02093 -0.01059 0.00036 0.00312 -0.00036 11 6PY 0.01756 0.01304 -0.00278 -0.00183 -0.00639 12 6PZ -0.00215 -0.00966 -0.00145 -0.00574 0.00275 13 7D 0 0.00019 0.00016 0.00008 0.00008 0.00018 14 7D+1 0.00033 0.00022 -0.00012 -0.00022 -0.00013 15 7D-1 -0.00016 -0.00001 0.00002 0.00036 -0.00027 16 7D+2 0.00096 0.00054 0.00001 0.00010 -0.00010 17 7D-2 0.00014 0.00004 -0.00007 -0.00014 0.00009 18 8D 0 0.00021 -0.00076 -0.00048 -0.00057 -0.00107 19 8D+1 0.00053 -0.00019 0.00077 0.00131 0.00084 20 8D-1 0.00099 -0.00053 -0.00017 -0.00230 0.00166 21 8D+2 -0.00022 -0.00007 0.00005 -0.00056 0.00067 22 8D-2 0.00032 0.00099 0.00045 0.00089 -0.00062 23 2 Cu 1S 0.00000 -0.00051 -0.00008 -0.00233 -0.00173 24 2S -0.00004 0.00032 0.00300 0.00480 -0.00037 25 3S 0.00000 0.00032 -0.00835 -0.05048 -0.02806 26 4PX 0.00798 -0.01485 0.27541 0.77412 0.22815 27 4PY 0.00511 0.00344 0.01326 0.03595 0.01052 28 4PZ 0.01260 0.00894 -0.16447 -0.46496 -0.13618 29 5PX 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0.61428 -0.19487 0.03251 -0.01546 -0.00820 50 4PZ 0.23357 -0.10471 -0.00853 0.00755 0.00199 51 5PX -0.00833 0.00302 0.00160 0.00389 0.00119 52 5PY 0.01620 -0.00680 0.00364 -0.00322 -0.00205 53 5PZ 0.00373 -0.00129 -0.00195 0.00329 -0.00101 54 6PX 0.01550 0.00024 0.00415 0.00563 0.00117 55 6PY -0.02397 0.01481 0.00552 -0.00329 -0.00131 56 6PZ -0.00787 0.00293 -0.00206 0.00263 0.00012 57 7D 0 -0.00040 0.00014 0.00008 -0.00021 -0.00001 58 7D+1 0.00044 -0.00009 0.00009 0.00002 0.00001 59 7D-1 -0.00083 0.00037 0.00013 -0.00003 -0.00003 60 7D+2 -0.00010 0.00008 0.00031 0.00030 0.00007 61 7D-2 -0.00033 0.00011 -0.00032 0.00004 0.00005 62 8D 0 -0.00077 0.00059 -0.00048 0.00128 0.00005 63 8D+1 -0.00084 -0.00086 -0.00068 -0.00026 -0.00009 64 8D-1 0.00006 -0.00083 -0.00090 0.00022 0.00017 65 8D+2 -0.00029 -0.00045 -0.00195 -0.00186 -0.00043 66 8D-2 0.00010 0.00023 0.00199 -0.00024 -0.00031 67 4 Cu 1S 0.00013 -0.00035 0.00052 -0.00087 -0.00140 68 2S 0.00004 -0.00008 0.00083 -0.00140 -0.00226 69 3S 0.00036 -0.00079 0.00286 -0.00484 -0.00784 70 4PX -0.00679 -0.01004 -0.00001 0.00038 0.00049 71 4PY -0.00348 -0.00900 0.00041 -0.00053 -0.00086 72 4PZ -0.01316 0.00794 0.00002 -0.00010 0.00020 73 5PX 0.00126 0.00249 -0.00109 -0.00111 -0.00092 74 5PY 0.00098 0.00095 -0.00132 0.00071 0.00132 75 5PZ 0.00266 -0.00150 -0.00039 0.00125 -0.00115 76 6PX -0.00520 -0.01081 -0.00063 -0.00194 -0.00219 77 6PY -0.00425 -0.00417 -0.00224 0.00219 0.00376 78 6PZ -0.01123 0.00660 -0.00027 0.00110 -0.00142 79 7D 0 -0.00006 0.00003 0.00003 -0.00005 -0.00001 80 7D+1 0.00025 0.00002 -0.00002 -0.00003 0.00002 81 7D-1 -0.00035 0.00030 -0.00002 0.00002 -0.00003 82 7D+2 0.00024 0.00035 0.00005 0.00001 -0.00003 83 7D-2 -0.00007 -0.00020 -0.00002 -0.00003 -0.00006 84 8D 0 0.00034 -0.00018 -0.00018 0.00029 0.00006 85 8D+1 -0.00133 -0.00013 0.00010 0.00021 -0.00014 86 8D-1 0.00185 -0.00159 0.00013 -0.00015 0.00022 87 8D+2 -0.00129 -0.00187 -0.00034 -0.00003 0.00019 88 8D-2 0.00036 0.00104 0.00012 0.00023 0.00036 89 5 Cu 1S -0.00067 0.00044 0.00031 -0.00028 -0.00288 90 2S 0.00024 -0.00005 0.00151 -0.00351 0.00419 91 3S 0.00033 0.00000 0.00157 0.00368 -0.05838 92 4PX -0.00006 0.01609 0.02013 -0.05979 0.18225 93 4PY 0.01059 0.00244 -0.01796 0.05764 -0.17466 94 4PZ -0.01890 0.00951 0.09664 -0.30038 0.90530 95 5PX -0.00148 -0.00194 -0.00077 -0.00267 0.00531 96 5PY 0.00012 -0.00151 -0.00177 0.00220 -0.00452 97 5PZ -0.00147 0.00099 0.00136 -0.00588 0.03016 98 6PX 0.00661 0.00836 -0.00149 -0.00103 0.00019 99 6PY -0.00159 0.00720 -0.00149 0.00077 0.00029 100 6PZ 0.00088 -0.00168 -0.00196 0.00389 0.00428 101 7D 0 -0.00017 0.00006 0.00027 -0.00083 0.00262 102 7D+1 -0.00007 0.00025 0.00006 -0.00031 0.00087 103 7D-1 0.00025 -0.00001 -0.00011 0.00027 -0.00076 104 7D+2 0.00007 0.00010 0.00000 0.00000 0.00001 105 7D-2 0.00004 -0.00009 -0.00002 0.00005 -0.00016 106 8D 0 0.00066 -0.00021 0.00003 -0.00014 -0.00029 107 8D+1 0.00052 -0.00103 0.00023 0.00014 0.00007 108 8D-1 -0.00136 0.00027 0.00017 0.00001 -0.00023 109 8D+2 -0.00043 -0.00052 0.00002 -0.00001 0.00009 110 8D-2 -0.00030 0.00061 0.00003 -0.00002 0.00009 111 6 Cu 1S -0.00011 0.00030 -0.00039 0.00063 0.00103 112 2S -0.00006 0.00018 0.00014 -0.00027 -0.00037 113 3S -0.00025 0.00071 -0.01497 0.02548 0.04057 114 4PX -0.00189 -0.00455 0.00915 0.00230 -0.00165 115 4PY -0.00193 -0.00087 0.00307 0.00400 0.00529 116 4PZ -0.00437 0.00246 0.00274 -0.00822 0.00538 117 5PX -0.00175 -0.00328 0.00122 0.00238 0.00242 118 5PY -0.00118 -0.00180 0.00279 -0.00249 -0.00418 119 5PZ -0.00362 0.00219 0.00043 -0.00166 0.00204 120 6PX -0.00031 -0.00120 0.00367 0.00105 -0.00056 121 6PY -0.00034 -0.00033 0.00149 0.00132 0.00150 122 6PZ -0.00079 0.00072 0.00096 -0.00322 0.00233 123 7D 0 0.00001 -0.00002 0.00011 -0.00012 0.00026 124 7D+1 0.00008 -0.00001 -0.00032 -0.00009 -0.00009 125 7D-1 -0.00013 0.00009 -0.00009 -0.00030 0.00019 126 7D+2 0.00009 0.00011 -0.00029 0.00006 0.00000 127 7D-2 -0.00002 -0.00012 0.00000 0.00026 0.00005 128 8D 0 0.00011 0.00007 -0.00060 0.00061 -0.00160 129 8D+1 -0.00035 -0.00015 0.00184 0.00057 0.00048 130 8D-1 0.00045 -0.00043 0.00055 0.00163 -0.00107 131 8D+2 -0.00040 -0.00032 0.00162 -0.00045 -0.00014 132 8D-2 -0.00003 0.00049 0.00013 -0.00156 -0.00049 133 7 Cu 1S 0.00050 0.00054 0.00206 -0.00127 -0.00162 134 2S -0.00026 -0.00010 -0.00557 0.00051 -0.00091 135 3S -0.00035 -0.00008 0.04789 -0.02260 -0.02494 136 4PX -0.01037 -0.00110 0.54486 -0.16040 -0.11167 137 4PY -0.01537 -0.01130 0.67993 -0.20090 -0.13996 138 4PZ 0.00287 -0.01672 0.34327 -0.10223 -0.06991 139 5PX -0.00005 -0.00140 0.01642 -0.00744 -0.00644 140 5PY -0.00107 -0.00131 0.02056 -0.00699 -0.00537 141 5PZ -0.00186 0.00170 0.01070 -0.00263 -0.00465 142 6PX -0.00399 0.00299 0.00013 -0.00323 -0.00407 143 6PY 0.00293 0.00446 0.00094 -0.00150 -0.00174 144 6PZ 0.00606 -0.00890 0.00057 0.00025 -0.00317 145 7D 0 -0.00015 0.00002 0.00083 -0.00028 -0.00016 146 7D+1 0.00000 0.00007 -0.00111 0.00032 0.00026 147 7D-1 0.00000 0.00026 -0.00130 0.00038 0.00028 148 7D+2 -0.00015 -0.00014 0.00036 -0.00008 -0.00005 149 7D-2 0.00019 0.00003 -0.00208 0.00063 0.00044 150 8D 0 0.00069 0.00014 -0.00006 0.00022 -0.00003 151 8D+1 -0.00004 -0.00011 0.00019 0.00000 -0.00026 152 8D-1 -0.00002 -0.00123 0.00004 0.00009 -0.00011 153 8D+2 0.00103 0.00079 0.00010 -0.00018 -0.00014 154 8D-2 -0.00080 -0.00006 -0.00002 -0.00014 -0.00005 155 8 Cu 1S -0.00006 0.00083 -0.00145 -0.00152 0.00081 156 2S 0.00000 -0.00033 -0.00059 -0.00224 -0.00095 157 3S 0.00045 -0.00469 -0.02606 -0.00251 0.03422 158 4PX 0.06614 -0.13886 0.00249 -0.01093 0.02948 159 4PY -0.05303 0.82190 0.02816 -0.00570 -0.01434 160 4PZ 0.10402 -0.24373 0.02908 -0.01521 0.01919 161 5PX 0.00070 -0.00621 -0.00209 -0.00223 0.00441 162 5PY -0.00209 0.02103 0.00314 -0.00136 -0.00307 163 5PZ 0.00053 -0.00496 0.00327 -0.00003 0.00110 164 6PX 0.00270 0.00655 -0.00079 -0.00238 0.00561 165 6PY 0.00503 -0.03119 0.00470 -0.00071 -0.00261 166 6PZ 0.00481 0.00967 0.00495 -0.00198 0.00251 167 7D 0 0.00000 -0.00039 -0.00008 0.00000 0.00010 168 7D+1 0.00004 0.00005 0.00002 -0.00015 0.00031 169 7D-1 -0.00009 0.00060 -0.00036 0.00013 -0.00003 170 7D+2 0.00000 0.00031 0.00020 -0.00009 0.00018 171 7D-2 0.00013 -0.00110 -0.00007 0.00005 -0.00005 172 8D 0 0.00100 0.00019 0.00061 -0.00006 -0.00051 173 8D+1 -0.00081 0.00067 -0.00022 0.00098 -0.00190 174 8D-1 0.00035 0.00003 0.00228 -0.00077 0.00017 175 8D+2 -0.00065 -0.00071 -0.00124 0.00056 -0.00121 176 8D-2 -0.00037 -0.00006 0.00031 -0.00034 0.00027 177 9 C 1S 0.00000 0.00001 -0.00004 0.00008 0.00012 178 2S -0.00006 0.00016 -0.00052 0.00095 0.00147 179 3S 0.00024 -0.00073 0.00401 -0.00697 -0.01097 180 4PX -0.00003 -0.00010 -0.00026 0.00000 0.00015 181 4PY -0.00005 0.00001 -0.00001 -0.00018 -0.00028 182 4PZ -0.00008 0.00004 -0.00006 0.00019 -0.00012 183 5PX 0.00092 0.00179 0.00096 0.00015 -0.00026 184 5PY 0.00069 0.00085 0.00031 0.00040 0.00055 185 5PZ 0.00194 -0.00115 0.00027 -0.00078 0.00066 186 10 O 1S 0.00000 0.00000 0.00001 -0.00002 -0.00003 187 2S 0.00002 -0.00009 0.00023 -0.00040 -0.00063 188 3S -0.00010 0.00036 -0.00104 0.00186 0.00288 189 4PX 0.00007 0.00012 0.00005 0.00005 0.00003 190 4PY 0.00005 0.00007 0.00006 -0.00003 -0.00007 191 4PZ 0.00014 -0.00008 0.00001 -0.00005 0.00005 192 5PX -0.00039 -0.00079 -0.00010 -0.00052 -0.00061 193 5PY -0.00032 -0.00028 -0.00065 0.00077 0.00127 194 5PZ -0.00084 0.00047 -0.00001 0.00017 -0.00042 26 27 28 29 30 O O O O O EIGENVALUES -- -2.79016 -2.79012 -2.79010 -2.79008 -2.79004 1 1 Cu 1S -0.00021 0.00015 0.00009 -0.00001 -0.00001 2 2S -0.00047 0.00152 0.00084 -0.00009 0.00042 3 3S -0.00026 -0.00868 -0.00473 0.00078 -0.00825 4 4PX 0.00023 -0.00626 0.00298 0.00004 -0.01346 5 4PY -0.00007 0.00515 0.00490 -0.00048 0.00044 6 4PZ -0.00046 0.00617 -0.01097 0.00052 0.02296 7 5PX -0.00115 0.00253 0.00179 -0.00057 0.00069 8 5PY 0.00118 -0.00411 -0.00212 0.00005 0.00092 9 5PZ -0.00038 0.00097 -0.00026 0.00083 -0.00142 10 6PX 0.00408 0.00581 0.00470 -0.00323 -0.00435 11 6PY -0.00494 0.00167 0.00151 -0.00124 0.00324 12 6PZ 0.00086 0.00530 -0.00059 0.00629 0.00949 13 7D 0 0.00002 -0.00011 -0.00003 0.00005 -0.00005 14 7D+1 0.00000 0.00018 0.00006 0.00002 0.00018 15 7D-1 0.00000 -0.00007 0.00017 0.00005 -0.00040 16 7D+2 0.00004 0.00008 0.00009 -0.00001 -0.00009 17 7D-2 0.00002 0.00006 -0.00006 -0.00003 0.00017 18 8D 0 -0.00009 0.00039 0.00002 -0.00039 0.00063 19 8D+1 -0.00003 -0.00101 -0.00028 -0.00021 -0.00085 20 8D-1 -0.00005 0.00059 -0.00116 -0.00028 0.00262 21 8D+2 -0.00020 -0.00078 -0.00073 0.00016 0.00039 22 8D-2 -0.00010 -0.00050 0.00038 0.00020 -0.00114 23 2 Cu 1S 0.00048 0.00033 -0.00065 -0.00035 -0.00034 24 2S 0.00090 0.00062 -0.00120 -0.00054 -0.00054 25 3S 0.01194 -0.00387 -0.00924 -0.00410 -0.00375 26 4PX 0.06143 -0.16736 0.10092 -0.11003 0.38740 27 4PY -0.14918 0.88699 -0.19396 0.12051 0.35321 28 4PZ 0.09119 -0.21110 0.15275 -0.17579 0.67183 29 5PX -0.00089 -0.00258 0.00432 -0.00025 0.00914 30 5PY -0.00611 0.01907 -0.00164 0.00228 0.00695 31 5PZ 0.00476 -0.00505 0.00179 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0.00021 111 6 Cu 1S 0.00079 -0.00058 -0.00038 0.00008 0.00005 112 2S 0.00282 -0.00213 -0.00131 0.00021 0.00013 113 3S -0.03508 0.02731 0.01613 -0.00221 -0.00131 114 4PX 0.00571 0.00542 -0.00106 0.00136 0.00031 115 4PY 0.00075 0.00480 0.00136 0.00025 -0.00015 116 4PZ 0.00299 -0.00141 0.00756 -0.00324 -0.00230 117 5PX -0.00421 -0.00286 0.00102 0.00033 0.00008 118 5PY 0.00048 -0.00444 -0.00087 0.00003 -0.00015 119 5PZ -0.00192 0.00116 -0.00565 -0.00034 -0.00151 120 6PX 0.00636 -0.00210 -0.00204 0.00223 0.00063 121 6PY -0.00818 0.00813 0.00424 0.00021 -0.00045 122 6PZ 0.00167 -0.00089 0.00094 -0.00418 -0.00460 123 7D 0 0.00007 0.00010 0.00031 -0.00008 -0.00005 124 7D+1 -0.00024 -0.00031 -0.00005 -0.00002 0.00001 125 7D-1 -0.00003 -0.00019 0.00034 -0.00013 -0.00007 126 7D+2 -0.00029 -0.00013 -0.00007 0.00000 0.00002 127 7D-2 -0.00012 0.00022 -0.00012 0.00006 0.00003 128 8D 0 -0.00048 -0.00049 -0.00148 0.00056 0.00046 129 8D+1 0.00139 0.00162 0.00048 0.00021 0.00004 130 8D-1 0.00002 0.00113 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-0.00284 0.00225 -0.00114 0.00741 -0.06139 57 7D 0 0.00081 -0.00027 0.00003 0.00782 0.12779 58 7D+1 0.00155 -0.00152 0.00037 0.00901 0.03291 59 7D-1 -0.00235 0.00090 -0.00136 -0.01307 -0.02271 60 7D+2 -0.00058 -0.00018 -0.00036 -0.00229 0.00439 61 7D-2 -0.00131 0.00079 -0.00045 -0.00600 0.00234 62 8D 0 0.00074 -0.00009 -0.00007 0.00320 0.04591 63 8D+1 0.00008 -0.00065 0.00012 0.00295 0.01155 64 8D-1 0.00024 0.00023 -0.00058 -0.00422 -0.00766 65 8D+2 -0.00014 -0.00039 -0.00041 -0.00039 0.00161 66 8D-2 -0.00023 0.00055 -0.00021 -0.00138 0.00100 67 4 Cu 1S -0.00026 0.00011 0.00000 -0.00171 -0.00917 68 2S 0.00050 -0.00020 0.00000 0.00394 0.11640 69 3S -0.00047 0.00127 -0.00001 -0.02433 0.03574 70 4PX -0.00028 0.00002 -0.00001 -0.00083 -0.01288 71 4PY 0.00051 -0.00011 -0.00001 0.00153 0.02397 72 4PZ -0.00005 0.00003 -0.00003 -0.00014 -0.00234 73 5PX 0.00192 0.00107 0.00043 -0.00341 0.00893 74 5PY -0.00328 0.00007 0.00033 0.00619 -0.01651 75 5PZ 0.00022 -0.00051 0.00093 -0.00055 0.00155 76 6PX 0.00032 -0.01416 -0.00765 -0.00567 0.00869 77 6PY -0.00288 -0.00718 -0.00581 0.01181 -0.01679 78 6PZ 0.00116 0.00891 -0.01661 -0.00199 0.00194 79 7D 0 -0.00011 0.00010 -0.00001 -0.00162 -0.05169 80 7D+1 0.00001 0.00001 -0.00005 0.00023 0.00732 81 7D-1 -0.00003 -0.00002 0.00008 -0.00042 -0.01378 82 7D+2 -0.00011 0.00002 -0.00005 -0.00157 -0.05011 83 7D-2 -0.00016 0.00019 0.00002 -0.00238 -0.07574 84 8D 0 -0.00009 -0.00004 0.00011 0.00014 -0.01748 85 8D+1 0.00002 -0.00011 0.00002 -0.00003 0.00245 86 8D-1 -0.00001 -0.00001 -0.00009 0.00002 -0.00465 87 8D+2 -0.00008 0.00008 0.00002 0.00012 -0.01692 88 8D-2 -0.00014 -0.00006 -0.00007 0.00022 -0.02559 89 5 Cu 1S 0.00049 0.00012 0.00000 -0.00149 -0.00969 90 2S 0.00635 -0.00311 0.00400 0.02059 0.11714 91 3S 0.06776 0.00206 -0.00603 -0.00196 0.06263 92 4PX -0.00031 0.00007 -0.00062 -0.00054 0.00574 93 4PY 0.00093 -0.00075 0.00104 0.00208 -0.00594 94 4PZ 0.00162 -0.00049 0.00032 0.00567 0.02568 95 5PX 0.00049 0.00057 0.00081 0.00509 -0.00577 96 5PY -0.00404 0.00158 -0.00111 -0.00991 0.00586 97 5PZ -0.01666 0.00195 -0.00413 -0.00357 -0.02724 98 6PX 0.00918 -0.00279 -0.01150 -0.01113 0.00331 99 6PY -0.02223 -0.01268 0.01343 0.02063 -0.01016 100 6PZ -0.01464 0.00309 -0.00447 -0.00066 -0.01451 101 7D 0 0.00126 0.00065 -0.00249 0.00890 0.09752 102 7D+1 -0.00069 0.00032 -0.00132 -0.00037 0.03858 103 7D-1 0.00202 -0.00129 0.00201 0.00437 -0.03947 104 7D+2 -0.00098 0.00179 -0.00124 -0.00255 0.00228 105 7D-2 -0.00105 0.00042 -0.00220 -0.00310 -0.00521 106 8D 0 0.00111 0.00020 -0.00063 0.00278 0.03310 107 8D+1 0.00008 0.00023 -0.00077 0.00011 0.01287 108 8D-1 0.00022 -0.00074 0.00152 0.00090 -0.01294 109 8D+2 -0.00013 0.00083 -0.00094 -0.00086 0.00072 110 8D-2 -0.00016 0.00042 -0.00136 -0.00113 -0.00176 111 6 Cu 1S -0.01179 0.00110 0.00000 -0.01041 -0.00549 112 2S 0.07863 -0.01208 0.00004 0.18436 0.15628 113 3S -0.21658 0.01237 -0.00036 -0.15552 0.02005 114 4PX -0.01600 -0.00547 -0.00370 -0.02763 0.03085 115 4PY 0.03106 -0.00714 -0.00284 0.05213 -0.05769 116 4PZ -0.00360 0.00500 -0.00812 -0.00572 0.00578 117 5PX 0.01608 0.00116 0.00103 0.03997 -0.06055 118 5PY -0.03247 0.00542 0.00084 -0.07629 0.11417 119 5PZ 0.00381 -0.00254 0.00248 0.00869 -0.01188 120 6PX -0.00977 0.07051 0.03395 0.05177 -0.00062 121 6PY 0.03313 0.03906 0.02597 -0.09692 0.00544 122 6PZ -0.00901 -0.04614 0.07501 0.01116 -0.00231 123 7D 0 -0.03875 0.00262 0.01062 -0.12556 -0.00053 124 7D+1 0.00645 -0.01116 0.02924 0.01981 -0.00342 125 7D-1 -0.01246 0.03390 -0.04956 -0.03717 0.00876 126 7D+2 -0.03973 0.05419 0.03010 -0.12374 0.00727 127 7D-2 -0.05589 -0.02421 -0.01437 -0.18371 -0.00387 128 8D 0 -0.01748 0.00073 0.00237 -0.03601 -0.00315 129 8D+1 0.00295 -0.00252 0.00753 0.00581 -0.00067 130 8D-1 -0.00567 0.00877 -0.01259 -0.01081 0.00193 131 8D+2 -0.01799 0.01369 0.00774 -0.03578 -0.00060 132 8D-2 -0.02517 -0.00619 -0.00351 -0.05259 -0.00556 133 7 Cu 1S 0.00050 0.00012 -0.00001 -0.00148 -0.00969 134 2S 0.00632 -0.00379 -0.00346 0.02053 0.11700 135 3S 0.06738 0.00341 0.00603 -0.00087 0.06231 136 4PX -0.00170 0.00081 0.00081 -0.00532 -0.01476 137 4PY -0.00007 -0.00048 -0.00073 -0.00135 -0.02033 138 4PZ -0.00079 0.00054 0.00012 -0.00258 -0.00964 139 5PX 0.01429 -0.00238 -0.00351 0.00882 0.01588 140 5PY 0.00572 -0.00022 -0.00095 -0.00722 0.02105 141 5PZ 0.00722 -0.00214 -0.00088 0.00273 0.01012 142 6PX 0.02317 0.00172 0.00732 -0.01201 0.01628 143 6PY -0.01192 -0.01401 -0.01463 0.01959 -0.00087 144 6PZ 0.00995 0.00736 -0.00446 -0.00254 0.00785 145 7D 0 -0.00111 0.00048 0.00098 -0.00472 -0.03129 146 7D+1 0.00198 -0.00135 -0.00008 0.00777 0.03706 147 7D-1 -0.00008 0.00154 0.00094 0.00245 0.05241 148 7D+2 0.00166 -0.00038 -0.00083 0.00429 -0.02355 149 7D-2 -0.00049 0.00205 0.00345 0.00304 0.08253 150 8D 0 -0.00041 0.00049 0.00080 -0.00164 -0.01059 151 8D+1 0.00071 -0.00085 -0.00068 0.00230 0.01277 152 8D-1 0.00036 0.00063 0.00045 0.00091 0.01764 153 8D+2 0.00032 -0.00041 -0.00079 0.00085 -0.00757 154 8D-2 0.00060 0.00105 0.00165 0.00109 0.02780 155 8 Cu 1S 0.00113 0.00016 -0.00001 -0.00202 -0.01332 156 2S 0.00474 -0.00088 -0.00007 0.02578 0.24533 157 3S -0.01206 0.02297 -0.00279 0.06746 -0.05903 158 4PX -0.00109 0.00012 0.00006 -0.00709 -0.03983 159 4PY 0.00049 -0.00008 0.00001 0.00241 -0.00291 160 4PZ 0.00043 -0.00003 0.00003 0.00315 0.02429 161 5PX 0.00362 0.00304 -0.00075 0.02066 0.05015 162 5PY -0.00020 -0.00072 -0.00005 -0.01166 0.01277 163 5PZ -0.00213 -0.00154 -0.00036 -0.00717 -0.03442 164 6PX -0.00461 0.01514 -0.00769 0.01027 -0.05663 165 6PY 0.00333 -0.04032 -0.00017 -0.00803 0.00454 166 6PZ 0.00154 0.00597 -0.01094 -0.00268 0.03091 167 7D 0 -0.00114 -0.00006 0.00065 -0.00558 -0.00646 168 7D+1 -0.00143 0.00012 -0.00042 -0.01012 -0.10163 169 7D-1 0.00072 0.00040 0.00019 0.00396 -0.01254 170 7D+2 0.00137 0.00007 -0.00051 0.01003 0.08206 171 7D-2 -0.00204 -0.00055 -0.00010 -0.00953 0.02600 172 8D 0 -0.00018 -0.00019 0.00027 -0.00147 -0.00216 173 8D+1 -0.00075 0.00003 -0.00040 -0.00356 -0.03642 174 8D-1 -0.00040 0.00017 0.00040 0.00143 -0.00481 175 8D+2 0.00021 -0.00012 -0.00046 0.00385 0.02922 176 8D-2 0.00020 -0.00046 0.00008 -0.00257 0.00981 177 9 C 1S -0.16240 0.00498 -0.00002 -0.08899 0.03114 178 2S 0.38704 -0.00863 0.00003 0.16594 -0.07214 179 3S 0.28528 -0.01696 0.00012 0.26697 -0.07188 180 4PX 0.00957 0.33912 0.15961 -0.20001 0.04823 181 4PY -0.02335 0.10855 0.12275 0.45099 -0.09708 182 4PZ 0.00385 -0.19247 0.35047 -0.06679 0.01188 183 5PX -0.03307 0.05142 0.02525 -0.00406 0.01021 184 5PY 0.06635 0.02043 0.01936 0.01593 -0.01899 185 5PZ -0.00809 -0.03054 0.05535 -0.00380 0.00167 186 10 O 1S 0.12633 0.00227 -0.00001 -0.02960 -0.00204 187 2S -0.28578 -0.00408 0.00001 0.04867 0.01169 188 3S -0.37904 -0.01161 0.00006 0.16858 -0.01702 189 4PX -0.19483 0.49121 0.24708 0.21067 -0.02847 190 4PY 0.39158 0.23471 0.18945 -0.34587 0.05692 191 4PZ -0.04818 -0.30588 0.54214 0.02472 -0.00644 192 5PX -0.04857 0.18848 0.09366 0.04522 -0.00680 193 5PY 0.09740 0.08456 0.07187 -0.06008 0.01218 194 5PZ -0.01193 -0.11545 0.20555 0.00033 -0.00080 41 42 43 44 45 O O O O O EIGENVALUES -- -0.33647 -0.33633 -0.32447 -0.32440 -0.32426 1 1 Cu 1S -0.00004 0.00040 -0.00234 -0.00063 0.00179 2 2S -0.05723 0.07190 -0.03337 -0.00505 0.02861 3 3S -0.13377 0.18587 -0.06744 -0.20099 0.14836 4 4PX 0.00579 0.00539 0.00641 -0.01702 0.00655 5 4PY -0.00797 0.01495 -0.00671 0.00790 0.00110 6 4PZ -0.01660 -0.00878 -0.00034 -0.00831 0.00037 7 5PX 0.02862 -0.03352 -0.01285 0.02886 -0.00671 8 5PY 0.04620 -0.06153 0.03318 0.04125 -0.04433 9 5PZ 0.01401 -0.02854 -0.00102 0.01897 -0.00994 10 6PX 0.05632 -0.03210 0.00108 -0.01686 0.01083 11 6PY -0.00501 0.02228 0.00135 0.02266 -0.01406 12 6PZ -0.03458 -0.05402 -0.00271 -0.00737 -0.00004 13 7D 0 -0.07285 -0.07595 0.04040 0.03643 -0.04351 14 7D+1 -0.00192 -0.05605 0.03827 -0.16126 0.09215 15 7D-1 -0.17663 -0.11547 -0.01922 -0.08017 -0.05005 16 7D+2 0.05636 -0.08951 0.07054 -0.19861 0.02979 17 7D-2 0.09269 0.05607 0.11079 -0.10692 0.01325 18 8D 0 -0.02409 -0.02675 0.01399 0.01360 -0.01605 19 8D+1 -0.00154 -0.01764 0.01292 -0.05499 0.03138 20 8D-1 -0.06137 -0.03806 -0.00607 -0.02911 -0.01728 21 8D+2 0.01916 -0.03068 0.02382 -0.06466 0.00871 22 8D-2 0.02999 0.02140 0.03982 -0.03797 0.00436 23 2 Cu 1S 0.00298 0.00037 -0.00011 -0.00029 -0.00226 24 2S -0.09893 -0.01204 -0.01206 0.06885 -0.06896 25 3S -0.06075 -0.00767 -0.02191 0.08745 -0.19221 26 4PX -0.02098 -0.00410 0.00318 0.00942 -0.00753 27 4PY -0.00184 -0.00133 0.00203 0.00568 -0.01013 28 4PZ 0.01340 -0.00110 0.00936 -0.00647 0.00773 29 5PX 0.05713 0.00081 -0.00239 -0.03535 0.04332 30 5PY 0.00851 -0.00316 -0.00515 0.00497 0.02822 31 5PZ -0.03486 -0.01449 -0.01972 0.01591 -0.03522 32 6PX -0.03393 0.00318 0.02113 -0.01220 0.00805 33 6PY -0.02291 0.00231 0.01294 0.00936 0.00553 34 6PZ 0.02697 0.01513 0.03201 0.00881 -0.01015 35 7D 0 0.00560 0.03052 -0.12418 -0.00756 0.02696 36 7D+1 0.14554 -0.00357 0.04913 -0.03369 0.05913 37 7D-1 0.02345 0.01146 0.03935 -0.02736 0.09354 38 7D+2 -0.10621 -0.03112 0.02490 0.01356 0.04096 39 7D-2 -0.04056 -0.01648 0.05930 0.05136 -0.06324 40 8D 0 0.00204 0.00956 -0.04576 -0.00384 0.01083 41 8D+1 0.05469 -0.00081 0.01700 -0.01162 0.02087 42 8D-1 0.00725 0.00467 0.01569 -0.00846 0.03254 43 8D+2 -0.04158 -0.01159 0.00803 0.00479 0.01489 44 8D-2 -0.01469 -0.00507 0.02291 0.01595 -0.02023 45 3 Cu 1S 0.00005 -0.00032 0.00260 -0.00008 0.00147 46 2S -0.03911 -0.08479 0.03792 0.00233 0.02399 47 3S -0.08775 -0.21040 0.12734 -0.18121 0.13515 48 4PX 0.01918 -0.00060 -0.00402 -0.00661 0.00363 49 4PY 0.00432 -0.01404 0.00304 0.01706 -0.00206 50 4PZ 0.00300 0.01061 -0.00223 0.01154 -0.00571 51 5PX -0.00415 -0.02455 0.02114 -0.00768 0.01549 52 5PY 0.01388 0.02554 -0.03580 0.00552 -0.02265 53 5PZ -0.03468 -0.07897 0.02293 -0.04817 0.03045 54 6PX 0.06172 -0.00305 0.00198 -0.01111 0.01031 55 6PY 0.01007 -0.05603 -0.00985 0.02518 -0.01321 56 6PZ -0.02157 -0.03598 -0.00035 0.00280 -0.00084 57 7D 0 0.04590 0.02836 -0.03359 -0.25212 0.06556 58 7D+1 -0.17509 0.02753 0.01144 0.03651 -0.02802 59 7D-1 -0.06397 0.12841 0.01354 -0.16373 0.04813 60 7D+2 -0.12697 0.06375 -0.01403 -0.02790 -0.08698 61 7D-2 0.07884 -0.00245 -0.09610 -0.02320 0.00663 62 8D 0 0.01420 0.00629 -0.01261 -0.08752 0.02236 63 8D+1 -0.06000 0.00841 0.00411 0.01026 -0.00934 64 8D-1 -0.02156 0.04437 0.00476 -0.05270 0.01504 65 8D+2 -0.04349 0.02181 -0.00544 -0.00953 -0.03054 66 8D-2 0.02709 -0.00071 -0.03411 -0.00712 0.00144 67 4 Cu 1S 0.00005 0.00003 -0.00072 0.00514 -0.00207 68 2S -0.00273 -0.00100 0.00629 -0.03862 0.01980 69 3S -0.00369 -0.00122 -0.01347 0.10619 -0.03762 70 4PX 0.00234 -0.00094 0.00084 0.00528 -0.00583 71 4PY 0.00050 -0.00097 0.00304 -0.01183 0.00404 72 4PZ -0.00119 -0.00235 0.00306 0.00231 0.00142 73 5PX 0.00365 -0.00216 -0.00810 0.00224 0.01568 74 5PY 0.00331 -0.00101 -0.00728 0.00561 0.00231 75 5PZ -0.00272 -0.00447 -0.01554 -0.00625 -0.00858 76 6PX 0.00160 -0.00122 0.00169 0.02721 -0.02118 77 6PY 0.00084 -0.00089 0.01200 -0.05678 0.01914 78 6PZ -0.00099 -0.00278 0.01001 0.00931 0.00359 79 7D 0 0.00050 -0.00673 -0.00639 0.06518 -0.02961 80 7D+1 -0.00682 0.01251 -0.01680 -0.01128 0.00539 81 7D-1 -0.01472 -0.01564 0.02154 0.02853 0.01326 82 7D+2 -0.01216 0.01306 -0.02931 0.06882 -0.00578 83 7D-2 0.01341 0.00141 -0.00896 0.08892 -0.06072 84 8D 0 -0.00019 -0.00381 -0.00216 0.02448 -0.01101 85 8D+1 -0.00391 0.00419 -0.00619 -0.00412 0.00231 86 8D-1 -0.00532 -0.00450 0.00775 0.01061 0.00485 87 8D+2 -0.00313 0.00444 -0.01082 0.02571 -0.00254 88 8D-2 0.00417 0.00142 -0.00356 0.03338 -0.02254 89 5 Cu 1S -0.00111 -0.00274 0.00183 0.00116 0.00079 90 2S 0.03626 0.08810 0.02480 0.09727 -0.01742 91 3S 0.02086 0.05251 0.10898 0.18592 0.00455 92 4PX 0.00415 0.00277 0.00246 -0.00366 -0.00799 93 4PY -0.00003 -0.00394 0.00627 0.00468 -0.00331 94 4PZ 0.00887 0.02196 0.00433 0.01811 -0.00252 95 5PX 0.00650 -0.01391 -0.00244 -0.00291 0.01969 96 5PY 0.00835 0.00429 -0.02089 0.00380 -0.00336 97 5PZ -0.02637 -0.05984 -0.03132 -0.06621 0.00130 98 6PX -0.01172 0.00551 0.02019 -0.01474 -0.02673 99 6PY -0.00278 0.01065 0.00293 0.00178 -0.02050 100 6PZ 0.02109 0.04398 -0.00597 -0.01513 0.00425 101 7D 0 0.06430 0.16581 0.02057 0.09685 0.00421 102 7D+1 0.04731 0.02690 0.04138 -0.05997 -0.11693 103 7D-1 0.00707 -0.03217 0.08966 0.06444 -0.04616 104 7D+2 0.01476 -0.00078 -0.03938 -0.01589 0.00877 105 7D-2 -0.00506 0.00232 -0.01769 -0.02693 -0.03789 106 8D 0 0.02470 0.06257 0.00690 0.03276 0.00202 107 8D+1 0.01641 0.01175 0.01563 -0.02060 -0.04316 108 8D-1 0.00103 -0.01336 0.03189 0.02043 -0.01621 109 8D+2 0.00626 0.00015 -0.01533 -0.00599 0.00498 110 8D-2 -0.00215 0.00169 -0.00607 -0.01174 -0.01450 111 6 Cu 1S 0.00002 0.00003 0.00049 -0.00353 0.00144 112 2S -0.00173 -0.00045 -0.02373 0.17194 -0.06796 113 3S 0.00234 0.00055 -0.01753 0.11671 -0.05474 114 4PX 0.01275 -0.00667 -0.00149 0.00376 -0.00056 115 4PY 0.00744 -0.00448 0.00014 -0.00552 0.00338 116 4PZ -0.00806 -0.01474 -0.00179 -0.00030 -0.00085 117 5PX 0.01054 -0.00405 0.00086 -0.06308 0.04444 118 5PY 0.00221 -0.00447 -0.02460 0.12806 -0.04806 119 5PZ -0.00535 -0.01038 -0.01444 -0.01857 -0.00462 120 6PX -0.00202 -0.00024 -0.04188 0.02346 0.06227 121 6PY 0.00022 0.00003 -0.02853 0.00107 0.03228 122 6PZ 0.00094 -0.00014 -0.07463 -0.02617 -0.04248 123 7D 0 -0.01692 0.05336 0.61542 0.37838 0.10227 124 7D+1 0.04975 -0.33131 -0.15046 0.19879 0.63924 125 7D-1 0.37614 0.48253 -0.21321 0.12756 0.21828 126 7D+2 0.43246 -0.33232 -0.10640 0.10607 -0.31686 127 7D-2 -0.35753 0.05759 -0.40660 0.28753 -0.06351 128 8D 0 -0.00579 0.01582 0.19481 0.12147 0.03192 129 8D+1 0.01481 -0.10768 -0.04674 0.06283 0.20260 130 8D-1 0.12207 0.15754 -0.06891 0.04039 0.06813 131 8D+2 0.14156 -0.10796 -0.03293 0.03503 -0.10186 132 8D-2 -0.11659 0.01962 -0.12945 0.09365 -0.02013 133 7 Cu 1S -0.00171 0.00244 -0.00191 0.00073 0.00103 134 2S 0.05573 -0.07837 -0.04706 0.08886 -0.01273 135 3S 0.03258 -0.04744 -0.14497 0.15707 0.02131 136 4PX -0.00773 0.01289 0.00751 -0.01618 -0.00218 137 4PY 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0.00101 -0.02423 -0.03570 157 3S 0.22962 0.02767 0.02685 -0.25296 -0.03045 158 4PX -0.01198 -0.01096 -0.00215 0.00390 0.00298 159 4PY 0.00976 -0.00558 -0.00396 0.01490 -0.01409 160 4PZ 0.00584 -0.01595 -0.00188 -0.00901 0.00433 161 5PX 0.08161 0.00628 0.00616 -0.06155 -0.01216 162 5PY -0.00963 -0.00362 -0.00023 0.01762 0.03071 163 5PZ -0.04254 -0.01069 -0.00413 0.02857 -0.00543 164 6PX 0.01574 -0.02867 -0.00089 -0.01109 0.00089 165 6PY 0.06098 -0.01411 -0.00585 0.03045 -0.00715 166 6PZ -0.02469 -0.05553 -0.00318 -0.00731 0.00272 167 7D 0 -0.01217 -0.13663 -0.00199 0.00386 0.06181 168 7D+1 -0.00501 0.13872 0.02262 0.15748 -0.08450 169 7D-1 0.07063 -0.09463 -0.08044 0.14052 -0.05572 170 7D+2 0.01334 0.13842 0.05398 0.00446 0.05432 171 7D-2 -0.09671 0.02200 0.01289 -0.14566 0.16810 172 8D 0 -0.00450 -0.04649 -0.00121 0.00268 0.02137 173 8D+1 -0.00478 0.04696 0.00785 0.05524 -0.03003 174 8D-1 0.02366 -0.03245 -0.02752 0.04684 -0.01798 175 8D+2 0.00686 0.04754 0.01912 -0.00003 0.02074 176 8D-2 -0.03238 0.00745 0.00417 -0.04696 0.05729 177 9 C 1S -0.00090 -0.00032 0.00119 -0.00889 0.00318 178 2S 0.00226 0.00075 -0.00101 0.00813 -0.00236 179 3S 0.00226 0.00093 -0.01524 0.11042 -0.04319 180 4PX 0.02460 -0.01263 0.00818 -0.01557 -0.00505 181 4PY 0.01379 -0.00849 0.00137 0.02421 -0.01280 182 4PZ -0.01536 -0.02798 0.01241 0.00153 0.00715 183 5PX 0.02368 -0.01140 0.00923 -0.01674 -0.00543 184 5PY 0.01108 -0.00874 0.00149 0.02522 -0.01632 185 5PZ -0.01403 -0.02599 0.01400 0.00152 0.00886 186 10 O 1S 0.00007 0.00004 -0.00029 0.00217 -0.00079 187 2S -0.00034 -0.00015 0.00080 -0.00588 0.00215 188 3S 0.00061 0.00002 0.00172 -0.01285 0.00455 189 4PX -0.07568 0.03575 -0.01888 0.02280 0.01838 190 4PY -0.03334 0.02699 -0.00834 -0.02613 0.02006 191 4PZ 0.04421 0.08142 -0.03132 -0.00865 -0.01624 192 5PX -0.04569 0.02146 -0.01086 0.01356 0.01053 193 5PY -0.01974 0.01650 -0.00462 -0.01605 0.01222 194 5PZ 0.02655 0.04906 -0.01803 -0.00471 -0.00967 46 47 48 49 50 O O O O O EIGENVALUES -- -0.32136 -0.30924 -0.30751 -0.30749 -0.29897 1 1 Cu 1S -0.00061 0.00011 -0.00132 0.00146 -0.00192 2 2S 0.03248 -0.06677 -0.06169 0.06586 -0.02902 3 3S -0.01144 0.00500 -0.18198 0.19269 -0.05860 4 4PX 0.01070 -0.00400 -0.01200 -0.00034 -0.00382 5 4PY -0.01169 0.00294 -0.00583 0.00179 0.00083 6 4PZ 0.00262 -0.00139 0.01162 0.01664 0.00224 7 5PX -0.00159 0.01799 0.06079 -0.03779 0.00671 8 5PY -0.01568 0.00923 0.03144 -0.02461 0.00218 9 5PZ -0.00268 0.00945 -0.00517 -0.05488 0.01261 10 6PX 0.02623 0.03339 -0.02230 -0.00829 -0.02226 11 6PY -0.05073 -0.02200 0.02751 -0.04019 -0.01641 12 6PZ 0.00372 0.01098 0.03845 0.03040 0.06904 13 7D 0 -0.02516 -0.27674 0.13478 0.34831 -0.06569 14 7D+1 0.13553 0.21960 0.26034 0.12745 -0.20562 15 7D-1 -0.10117 0.12673 0.15234 0.09796 0.34045 16 7D+2 0.27320 -0.12165 -0.17762 -0.00391 0.07389 17 7D-2 -0.15169 0.04775 -0.16133 -0.04874 0.01285 18 8D 0 -0.00956 -0.09348 0.04573 0.11613 -0.02343 19 8D+1 0.04608 0.07555 0.08702 0.04405 -0.06881 20 8D-1 -0.03412 0.04244 0.04857 0.03230 0.11421 21 8D+2 0.09129 -0.03853 -0.05977 -0.00199 0.02442 22 8D-2 -0.05226 0.01597 -0.05485 -0.01419 0.00478 23 2 Cu 1S 0.00289 -0.00325 -0.00074 -0.00252 0.00211 24 2S 0.02076 -0.04923 0.01165 0.03566 0.03606 25 3S 0.06372 -0.15193 -0.01286 -0.04571 0.12056 26 4PX -0.00259 -0.00832 0.00575 0.00720 0.00689 27 4PY 0.00431 0.01235 0.00060 -0.00557 -0.00224 28 4PZ -0.00034 -0.00012 0.00455 -0.00443 -0.00135 29 5PX -0.00548 0.04545 -0.01213 -0.00043 -0.03179 30 5PY -0.02365 -0.02166 -0.01119 -0.01055 0.00159 31 5PZ 0.01293 -0.01788 -0.01571 0.01306 0.01319 32 6PX -0.03191 0.00485 0.02121 0.03065 -0.00420 33 6PY 0.02425 0.04218 0.01112 0.00949 0.03161 34 6PZ 0.00846 -0.01968 0.01120 -0.03022 -0.01097 35 7D 0 0.01611 0.05764 -0.04987 -0.07932 -0.00290 36 7D+1 0.06837 -0.02323 0.02798 -0.09857 -0.00664 37 7D-1 -0.02969 -0.11288 -0.04113 0.07431 0.11517 38 7D+2 -0.08487 -0.04929 0.08266 0.06304 0.17550 39 7D-2 0.02923 0.18719 -0.05829 -0.15976 -0.05524 40 8D 0 0.00731 0.02056 -0.01693 -0.02911 -0.00016 41 8D+1 0.02562 -0.00683 0.00885 -0.03735 -0.00360 42 8D-1 -0.00965 -0.03768 -0.01589 0.02315 0.03841 43 8D+2 -0.02964 -0.01653 0.02881 0.02126 0.06079 44 8D-2 0.01194 0.06438 -0.02055 -0.05442 -0.01658 45 3 Cu 1S -0.00063 0.00013 0.00192 0.00045 -0.00099 46 2S 0.03127 -0.06534 0.08912 0.01904 -0.01480 47 3S -0.01394 0.00847 0.25799 0.05660 -0.03104 48 4PX 0.00756 -0.00189 0.00367 -0.01902 -0.00434 49 4PY -0.01409 0.00440 0.00147 -0.01019 -0.00087 50 4PZ -0.00267 0.00179 -0.01056 -0.00025 0.00116 51 5PX 0.00600 -0.00066 -0.00605 0.03980 -0.00873 52 5PY -0.00986 -0.00361 0.00604 0.02320 -0.00657 53 5PZ 0.00991 -0.02081 0.08585 0.01474 -0.00508 54 6PX 0.02749 0.01792 0.03285 -0.04096 -0.07819 55 6PY -0.04999 -0.03447 -0.03161 -0.03316 -0.04744 56 6PZ 0.00593 -0.01739 0.01932 0.00908 0.00646 57 7D 0 -0.00111 0.23204 -0.00506 -0.08049 0.03425 58 7D+1 -0.16168 0.10116 -0.15241 0.42247 -0.01533 59 7D-1 0.30835 -0.06849 0.00204 0.23806 -0.02052 60 7D+2 -0.06794 -0.15670 0.12119 0.00899 0.41460 61 7D-2 -0.04274 -0.24906 0.16919 0.10053 -0.24748 62 8D 0 -0.00089 0.07946 0.00082 -0.02627 0.01199 63 8D+1 -0.05428 0.03305 -0.05011 0.14129 -0.00587 64 8D-1 0.10377 -0.02065 0.00004 0.07914 -0.00758 65 8D+2 -0.02381 -0.05308 0.04110 0.00099 0.13872 66 8D-2 -0.01585 -0.08397 0.05629 0.03495 -0.08344 67 4 Cu 1S 0.00026 0.00233 0.00002 0.00008 0.00004 68 2S 0.11590 -0.03671 0.00093 0.00057 0.00110 69 3S 0.14764 0.08152 0.00152 0.00383 0.00305 70 4PX -0.01188 0.00270 0.00123 -0.00477 0.00988 71 4PY 0.02243 -0.00487 0.00134 -0.00229 0.00501 72 4PZ -0.00233 0.00049 0.00524 0.00168 -0.00505 73 5PX 0.03963 0.00184 0.00387 -0.01259 -0.02627 74 5PY -0.07418 -0.00325 0.00270 -0.00750 -0.01392 75 5PZ 0.00743 0.00042 0.01468 0.00484 0.01355 76 6PX -0.01522 -0.00151 -0.00640 0.02285 0.05152 77 6PY 0.02874 0.00228 -0.00619 0.01125 0.02484 78 6PZ -0.00297 -0.00053 -0.02595 -0.00800 -0.02598 79 7D 0 -0.08581 -0.00056 -0.06130 -0.00688 0.01981 80 7D+1 0.01236 0.00049 -0.04167 -0.05527 0.06898 81 7D-1 -0.02438 0.00031 0.07706 0.00363 -0.06407 82 7D+2 -0.08434 -0.00142 -0.01479 0.08114 -0.16726 83 7D-2 -0.12476 -0.00001 0.03303 -0.05578 0.11472 84 8D 0 -0.03251 -0.00070 -0.02202 -0.00240 0.00748 85 8D+1 0.00464 0.00027 -0.01401 -0.02001 0.02736 86 8D-1 -0.00918 -0.00004 0.02604 0.00054 -0.02098 87 8D+2 -0.03187 -0.00099 -0.00462 0.02762 -0.05950 88 8D-2 -0.04728 -0.00074 0.01180 -0.01897 0.04046 89 5 Cu 1S 0.00253 -0.00319 0.00262 0.00058 -0.00068 90 2S 0.02312 -0.04911 -0.03569 -0.00827 -0.01178 91 3S 0.05455 -0.15105 0.05098 0.01003 -0.03954 92 4PX -0.00182 -0.00694 -0.00284 -0.00693 0.00549 93 4PY 0.00416 0.01276 0.00736 -0.00144 0.00470 94 4PZ -0.00016 -0.00306 -0.00676 -0.00092 -0.00247 95 5PX 0.00741 0.01947 -0.00874 0.01910 -0.01431 96 5PY -0.01799 -0.03009 0.00738 0.01254 -0.01233 97 5PZ -0.01677 0.03897 0.00963 0.00040 0.01205 98 6PX -0.01638 -0.01601 0.00175 -0.02095 0.00297 99 6PY 0.02927 0.03628 -0.00028 -0.00988 -0.01033 100 6PZ -0.02064 0.02613 -0.04552 -0.00799 -0.00405 101 7D 0 -0.06889 0.09087 -0.02917 0.00150 -0.03701 102 7D+1 -0.04424 -0.08662 -0.09802 -0.06428 0.10374 103 7D-1 0.07082 0.18479 0.17851 0.01223 0.14007 104 7D+2 -0.00398 0.02022 0.06457 -0.06532 0.07288 105 7D-2 0.00846 0.05926 0.09091 0.07134 -0.06390 106 8D 0 -0.02481 0.03032 -0.01322 -0.00031 -0.01343 107 8D+1 -0.01621 -0.02975 -0.03397 -0.02151 0.03531 108 8D-1 0.02541 0.06289 0.05997 0.00405 0.04730 109 8D+2 0.00007 0.00778 0.02424 -0.02308 0.02480 110 8D-2 0.00530 0.02150 0.03353 0.02594 -0.02227 111 6 Cu 1S -0.00026 0.00148 -0.00003 -0.00004 -0.00002 112 2S 0.04021 0.08105 0.00069 0.00252 0.00068 113 3S -0.23204 0.31877 -0.00204 0.00235 -0.00001 114 4PX -0.01581 0.00583 0.00053 -0.00285 0.00030 115 4PY 0.03068 -0.01072 0.00096 -0.00098 0.00026 116 4PZ -0.00359 0.00104 0.00287 0.00094 -0.00014 117 5PX 0.08930 -0.07767 0.00983 -0.03233 -0.01189 118 5PY -0.17108 0.14650 0.00631 -0.01712 -0.00565 119 5PZ 0.01883 -0.01465 0.03629 0.01185 0.00580 120 6PX 0.01698 0.01331 -0.00028 -0.00395 0.02537 121 6PY -0.03510 -0.02814 0.00016 -0.00241 0.01276 122 6PZ 0.00483 0.00391 0.00169 0.00225 -0.01266 123 7D 0 0.19239 0.05452 0.05383 -0.00870 0.01765 124 7D+1 -0.04956 -0.00897 -0.14078 0.06811 0.15598 125 7D-1 0.05030 0.01402 0.23364 0.13489 0.16407 126 7D+2 0.20712 0.04822 -0.11296 0.21188 0.09784 127 7D-2 0.29531 0.07922 -0.01743 -0.14827 -0.09335 128 8D 0 0.06479 0.01727 0.01585 -0.00289 0.00525 129 8D+1 -0.01618 -0.00289 -0.04574 0.02063 0.04668 130 8D-1 0.01698 0.00452 0.07614 0.04319 0.04997 131 8D+2 0.06932 0.01533 -0.03630 0.06933 0.03061 132 8D-2 0.09914 0.02509 -0.00486 -0.04848 -0.02887 133 7 Cu 1S 0.00261 -0.00327 -0.00175 0.00193 -0.00137 134 2S 0.02242 -0.04835 0.02595 -0.02749 -0.02333 135 3S 0.05596 -0.15216 -0.03286 0.03515 -0.07827 136 4PX -0.00211 -0.00556 -0.00254 -0.00143 0.00335 137 4PY 0.00407 0.01357 -0.00780 0.00718 0.00530 138 4PZ -0.00081 -0.00055 0.00327 0.00554 -0.00418 139 5PX 0.02281 -0.00960 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0.00493 0.00633 -0.00015 25 3S 0.00107 -0.00238 0.06081 0.07647 -0.00005 26 4PX -0.00319 0.00446 0.00149 0.00115 -0.00178 27 4PY -0.00265 0.00388 -0.00244 -0.00351 -0.00124 28 4PZ 0.00025 -0.00543 0.00103 0.00003 -0.00303 29 5PX 0.00351 -0.00764 -0.02049 -0.00688 -0.00120 30 5PY 0.00182 -0.00347 -0.01714 -0.00816 -0.00096 31 5PZ -0.00239 0.00602 -0.00489 0.02644 -0.00215 32 6PX -0.02254 -0.00859 -0.00281 -0.02738 -0.00669 33 6PY -0.03564 0.03780 0.02196 0.01068 -0.00476 34 6PZ -0.02953 -0.03596 0.02271 -0.01257 -0.01155 35 7D 0 0.04662 0.08493 0.21219 -0.07136 -0.20068 36 7D+1 0.04174 -0.01507 0.07775 0.17457 -0.08711 37 7D-1 -0.09635 -0.02575 0.06583 0.20622 0.26377 38 7D+2 0.01767 0.09020 0.02521 0.05637 -0.13823 39 7D-2 -0.09639 0.05445 -0.14429 0.01690 0.17139 40 8D 0 0.01609 0.03038 0.07027 -0.02218 -0.06743 41 8D+1 0.01400 -0.00540 0.02752 0.05925 -0.02903 42 8D-1 -0.03315 -0.00830 0.02201 0.06862 0.08828 43 8D+2 0.00523 0.03194 0.00797 0.01757 -0.04617 44 8D-2 -0.03387 0.01989 -0.04685 0.00608 0.05750 45 3 Cu 1S -0.00110 0.00013 -0.00095 0.00015 0.00001 46 2S -0.05557 0.00518 -0.00735 0.00150 0.00010 47 3S -0.07083 0.00760 -0.08353 0.01423 0.00070 48 4PX -0.00065 -0.00379 -0.00129 -0.00737 0.01128 49 4PY 0.00135 -0.00218 0.00016 -0.00407 0.00588 50 4PZ 0.00538 -0.00010 0.00266 0.00028 -0.00117 51 5PX 0.00324 -0.01286 0.00944 0.03197 -0.06756 52 5PY -0.01574 -0.00450 -0.01021 0.01882 -0.03535 53 5PZ -0.03123 0.00445 -0.02337 0.00055 0.00708 54 6PX -0.04698 -0.06175 0.02775 -0.05036 -0.05717 55 6PY 0.07656 -0.04336 -0.07600 -0.01302 -0.03000 56 6PZ 0.02254 0.00445 -0.03082 0.00959 0.00600 57 7D 0 0.15889 -0.02823 0.03559 0.00478 -0.04493 58 7D+1 0.08614 0.06103 -0.24859 -0.02766 0.24980 59 7D-1 -0.17386 0.07653 0.43663 -0.09488 0.13391 60 7D+2 0.27537 0.14728 0.04520 0.05880 0.05027 61 7D-2 0.33751 -0.14205 0.12304 -0.07415 -0.00480 62 8D 0 0.05085 -0.00893 0.01145 0.00162 -0.01463 63 8D+1 0.02692 0.01897 -0.08099 -0.00911 0.08143 64 8D-1 -0.05549 0.02424 0.14200 -0.03098 0.04360 65 8D+2 0.09081 0.04724 0.01517 0.01898 0.01594 66 8D-2 0.11196 -0.04615 0.04076 -0.02423 -0.00127 67 4 Cu 1S 0.00001 0.00000 -0.00001 0.00000 0.00000 68 2S 0.00107 -0.00125 0.00047 0.00052 0.00000 69 3S 0.00220 -0.00197 0.00065 0.00088 -0.00001 70 4PX -0.00142 -0.00919 0.00003 0.00067 -0.00001 71 4PY -0.00162 -0.00494 0.00001 0.00043 0.00000 72 4PZ -0.01041 0.00206 -0.00081 0.00007 0.00003 73 5PX 0.00301 0.01768 -0.00066 -0.00667 -0.00001 74 5PY 0.00278 0.00988 0.00013 -0.00399 0.00000 75 5PZ 0.02019 -0.00396 0.00781 -0.00046 -0.00001 76 6PX 0.00393 0.02640 0.00377 0.03427 -0.00003 77 6PY 0.00470 0.01373 -0.00160 0.01874 -0.00001 78 6PZ 0.02976 -0.00589 -0.03898 0.00246 0.00005 79 7D 0 -0.11148 -0.02030 -0.04263 0.00842 0.00045 80 7D+1 0.13908 0.15461 -0.07546 -0.00575 -0.00002 81 7D-1 -0.27647 0.14758 0.12458 -0.01229 0.00060 82 7D+2 0.11271 0.23618 0.00864 0.12499 -0.00020 83 7D-2 0.06463 -0.15327 -0.00692 -0.08611 -0.00033 84 8D 0 -0.03927 -0.00693 -0.01518 0.00320 0.00016 85 8D+1 0.04619 0.05369 -0.02489 -0.00327 -0.00001 86 8D-1 -0.09221 0.05028 0.04005 -0.00468 0.00020 87 8D+2 0.03822 0.07840 0.00329 0.04053 -0.00007 88 8D-2 0.02258 -0.05077 -0.00160 -0.02823 -0.00011 89 5 Cu 1S -0.00256 0.00027 -0.00158 0.00023 0.00000 90 2S 0.05104 -0.00481 -0.00908 0.00107 -0.00007 91 3S -0.00471 0.00188 -0.09930 0.01388 0.00026 92 4PX -0.00074 -0.00205 -0.00226 -0.00049 0.00327 93 4PY 0.00249 -0.00134 0.00400 -0.00109 0.00172 94 4PZ 0.00819 -0.00059 0.00001 0.00006 -0.00033 95 5PX -0.00036 0.00038 0.00121 0.02199 0.00242 96 5PY -0.00149 0.00036 0.01136 0.00998 0.00138 97 5PZ -0.01060 0.00072 0.02863 -0.00629 -0.00029 98 6PX -0.02408 -0.04271 0.01038 -0.02932 0.01235 99 6PY 0.03975 -0.02793 -0.02677 -0.01073 0.00658 100 6PZ 0.02659 0.00156 0.01544 0.00057 -0.00137 101 7D 0 0.08815 -0.00090 0.18878 -0.06484 0.02422 102 7D+1 -0.00223 -0.06071 0.00375 0.21677 -0.15814 103 7D-1 0.00011 -0.01635 0.16463 0.07674 -0.04563 104 7D+2 0.07428 0.10515 -0.10831 -0.05411 0.29849 105 7D-2 0.08097 -0.09401 -0.11070 0.09518 -0.21983 106 8D 0 0.03125 -0.00031 0.06448 -0.02158 0.00815 107 8D+1 -0.00088 -0.02149 0.00212 0.07062 -0.05322 108 8D-1 0.00001 -0.00602 0.05341 0.02501 -0.01543 109 8D+2 0.02659 0.03570 -0.03666 -0.01793 0.09990 110 8D-2 0.02946 -0.03235 -0.03804 0.03173 -0.07360 111 6 Cu 1S 0.00005 -0.00008 0.00004 0.00005 0.00000 112 2S -0.00134 0.00162 -0.00163 -0.00124 0.00000 113 3S 0.00143 -0.00124 0.00019 0.00014 0.00003 114 4PX -0.00266 -0.01942 0.00253 0.02150 0.00008 115 4PY -0.00401 -0.00951 -0.00135 0.01146 0.00005 116 4PZ -0.02139 0.00411 -0.02423 0.00157 0.00002 117 5PX 0.01121 0.07780 -0.01384 -0.12154 -0.00034 118 5PY 0.01528 0.03992 0.00601 -0.06623 -0.00018 119 5PZ 0.08695 -0.01685 0.13759 -0.00846 -0.00006 120 6PX 0.00698 0.04939 0.00112 0.01274 0.00002 121 6PY 0.00991 0.02483 -0.00011 0.00751 0.00002 122 6PZ 0.05521 -0.01061 -0.01505 0.00095 0.00009 123 7D 0 0.08470 -0.00207 0.05108 -0.00748 -0.00041 124 7D+1 0.11707 -0.05971 0.11535 -0.00583 -0.00001 125 7D-1 -0.19817 0.02049 -0.19898 0.01356 0.00078 126 7D+2 0.03158 0.20071 -0.00766 -0.19594 -0.00041 127 7D-2 -0.03555 -0.13684 0.01637 0.13022 0.00040 128 8D 0 0.02327 -0.00076 0.01523 -0.00221 -0.00012 129 8D+1 0.03630 -0.01521 0.03559 -0.00265 -0.00001 130 8D-1 -0.06214 0.00817 -0.06220 0.00380 0.00024 131 8D+2 0.01084 0.06231 -0.00215 -0.06101 -0.00013 132 8D-2 -0.00964 -0.04224 0.00535 0.04037 0.00012 133 7 Cu 1S 0.00149 0.00210 0.00056 -0.00150 -0.00001 134 2S -0.03075 -0.04213 0.00278 -0.00839 0.00020 135 3S 0.00108 0.00391 0.03435 -0.09398 -0.00026 136 4PX 0.00521 0.00547 0.00060 -0.00247 -0.00152 137 4PY 0.00156 0.00173 -0.00153 0.00357 -0.00049 138 4PZ 0.00050 0.00431 0.00103 -0.00021 0.00334 139 5PX -0.00548 -0.00673 0.01878 -0.02148 -0.00112 140 5PY -0.00310 -0.00404 0.00555 -0.00592 -0.00037 141 5PZ -0.00260 -0.00399 -0.01647 -0.02051 0.00239 142 6PX 0.04275 0.02380 -0.01340 -0.00068 -0.00574 143 6PY -0.00933 -0.02388 0.00740 -0.03149 -0.00190 144 6PZ -0.02784 0.04050 0.02736 0.00747 0.01249 145 7D 0 0.02177 -0.08390 0.21800 -0.07543 0.17601 146 7D+1 0.07481 -0.05287 0.07403 0.26453 0.24678 147 7D-1 -0.08629 0.02096 0.01091 0.04482 -0.21574 148 7D+2 -0.07929 -0.00415 -0.12978 0.08480 -0.16008 149 7D-2 -0.04739 -0.10366 -0.04337 -0.01069 0.04837 150 8D 0 0.00719 -0.02999 0.07215 -0.02687 0.05910 151 8D+1 0.02611 -0.01805 0.02352 0.08863 0.08275 152 8D-1 -0.02934 0.00661 0.00263 0.01574 -0.07205 153 8D+2 -0.02773 -0.00205 -0.04234 0.02708 -0.05365 154 8D-2 -0.01752 -0.03676 -0.01432 -0.00242 0.01609 155 8 Cu 1S 0.00042 -0.00098 0.00059 0.00073 0.00000 156 2S 0.02336 -0.05237 0.00507 0.00619 0.00003 157 3S 0.02861 -0.06563 0.05405 0.06672 -0.00018 158 4PX -0.00346 0.00251 0.00194 -0.00391 -0.00606 159 4PY -0.00260 0.00198 0.00132 -0.00284 -0.00419 160 4PZ -0.00195 -0.00458 0.00637 -0.00303 -0.01041 161 5PX 0.00195 -0.01982 -0.00526 0.02106 0.03631 162 5PY 0.00498 -0.02174 0.00142 0.02150 0.02528 163 5PZ -0.01790 0.01392 -0.03267 0.00726 0.06259 164 6PX -0.02471 -0.03253 0.01404 -0.02156 0.03069 165 6PY -0.05943 0.06995 0.06438 0.05251 0.02143 166 6PZ -0.04604 -0.04774 0.01492 -0.04871 0.05297 167 7D 0 -0.12041 0.18643 -0.14400 -0.06384 0.22201 168 7D+1 0.10647 0.04246 -0.05768 -0.05862 -0.12446 169 7D-1 -0.22777 0.15712 0.19531 0.14462 0.02128 170 7D+2 -0.02800 0.37827 0.11930 0.18511 -0.10319 171 7D-2 -0.09582 0.14883 -0.20194 -0.33418 -0.09732 172 8D 0 -0.03911 0.06248 -0.04728 -0.02108 0.07246 173 8D+1 0.03332 0.01513 -0.01897 -0.01946 -0.04036 174 8D-1 -0.07392 0.05166 0.06329 0.04678 0.00657 175 8D+2 -0.00956 0.12253 0.03873 0.05999 -0.03337 176 8D-2 -0.03220 0.05005 -0.06595 -0.10910 -0.03189 177 9 C 1S 0.00041 -0.00051 0.00028 0.00026 0.00000 178 2S -0.00064 0.00076 -0.00044 -0.00044 0.00000 179 3S -0.00302 0.00416 -0.00249 -0.00221 0.00000 180 4PX 0.00461 0.02894 -0.00346 -0.03124 -0.00009 181 4PY 0.00503 0.01517 0.00179 -0.01661 -0.00005 182 4PZ 0.03265 -0.00626 0.03534 -0.00241 -0.00009 183 5PX -0.00034 -0.00296 0.00013 -0.00227 -0.00001 184 5PY -0.00096 -0.00102 -0.00015 -0.00157 -0.00001 185 5PZ -0.00329 0.00045 0.00297 -0.00039 -0.00005 186 10 O 1S -0.00008 0.00008 -0.00006 -0.00004 0.00000 187 2S 0.00017 -0.00010 0.00014 0.00007 0.00000 188 3S 0.00059 -0.00086 0.00032 0.00030 0.00000 189 4PX -0.00695 -0.04752 0.00560 0.04795 0.00014 190 4PY -0.00905 -0.02312 -0.00334 0.02454 0.00008 191 4PZ -0.05261 0.00999 -0.05373 0.00374 0.00013 192 5PX -0.00329 -0.02260 0.00289 0.02529 0.00007 193 5PY -0.00421 -0.01122 -0.00176 0.01301 0.00004 194 5PZ -0.02500 0.00484 -0.02841 0.00202 0.00007 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26520 -0.26518 -0.26387 -0.26252 -0.26249 1 1 Cu 1S 0.00115 0.00048 0.00063 -0.00129 -0.00188 2 2S 0.00221 0.00102 0.02455 -0.00389 -0.00608 3 3S 0.04367 0.01797 0.00978 -0.05539 -0.07912 4 4PX -0.01375 0.00184 -0.01228 -0.00251 -0.00878 5 4PY 0.00699 0.00538 0.00513 0.00771 0.00959 6 4PZ 0.00219 -0.01603 -0.00476 -0.00651 0.00192 7 5PX 0.06360 -0.00719 0.05416 0.01702 0.05008 8 5PY -0.04177 -0.02822 -0.03265 -0.02866 -0.03377 9 5PZ -0.01010 0.07090 0.01955 0.03599 -0.00471 10 6PX 0.01798 0.00032 0.02406 0.02302 0.04097 11 6PY -0.02292 -0.01230 -0.02148 -0.01341 -0.01736 12 6PZ -0.00275 0.01543 0.00831 0.01846 0.00950 13 7D 0 0.00194 0.06611 0.03601 0.07201 0.08218 14 7D+1 0.04598 0.06158 -0.01484 0.06040 0.02485 15 7D-1 -0.00657 0.06688 0.02987 -0.07093 0.01355 16 7D+2 0.12764 0.03747 0.00392 0.12727 0.23321 17 7D-2 0.10052 -0.00075 0.08855 0.06246 0.04803 18 8D 0 0.00045 0.01972 0.01002 0.02342 0.02493 19 8D+1 0.01530 0.01831 -0.00358 0.02017 0.00818 20 8D-1 -0.00200 0.02229 0.00948 -0.02141 0.00339 21 8D+2 0.03928 0.01237 0.00112 0.04055 0.07461 22 8D-2 0.03228 -0.00023 0.02708 0.01883 0.01526 23 2 Cu 1S 0.00012 0.00087 -0.00118 0.00125 -0.00262 24 2S -0.00257 -0.01802 0.04147 -0.02055 0.04280 25 3S 0.00376 0.02931 0.01707 0.03577 -0.07636 26 4PX -0.00095 -0.00182 0.00480 -0.00185 0.00485 27 4PY -0.00058 -0.00076 -0.00025 0.00006 0.00059 28 4PZ -0.00097 0.00159 -0.00270 0.00207 -0.00259 29 5PX -0.01351 -0.00763 -0.01214 -0.01061 0.00658 30 5PY -0.00595 0.02258 -0.00449 -0.01044 0.01081 31 5PZ -0.02175 -0.00063 0.00871 -0.00570 -0.01591 32 6PX -0.00210 0.00451 -0.00960 -0.01002 -0.02018 33 6PY -0.00093 0.00841 -0.00255 -0.01604 0.00495 34 6PZ -0.00548 -0.00511 0.00656 -0.02908 -0.01003 35 7D 0 0.14312 0.27677 0.24671 0.35546 0.14514 36 7D+1 -0.15717 0.04242 0.29238 0.00279 0.07922 37 7D-1 0.14951 -0.02422 0.21824 -0.27618 -0.17076 38 7D+2 -0.14577 0.16563 0.07026 0.15408 -0.05477 39 7D-2 0.05389 0.47511 0.15453 -0.24024 -0.14006 40 8D 0 0.04592 0.09137 0.08077 0.11579 0.04703 41 8D+1 -0.05189 0.01327 0.09596 0.00058 0.02732 42 8D-1 0.05009 -0.00858 0.07200 -0.09092 -0.05461 43 8D+2 -0.04825 0.05484 0.02329 0.05068 -0.01799 44 8D-2 0.01869 0.15703 0.05012 -0.07757 -0.04726 45 3 Cu 1S -0.00099 0.00075 0.00063 0.00228 -0.00019 46 2S -0.00195 0.00160 0.02457 0.00686 -0.00098 47 3S -0.03742 0.02828 0.00980 0.09710 -0.00728 48 4PX 0.01415 0.00841 -0.00457 0.00646 -0.00672 49 4PY -0.00530 0.01417 0.01030 -0.01369 -0.00212 50 4PZ -0.00575 0.00247 0.00820 -0.00068 0.00064 51 5PX -0.06718 -0.03410 0.02447 -0.02638 0.03310 52 5PY 0.03124 -0.06868 -0.05244 0.06054 0.01123 53 5PZ 0.02207 -0.00832 -0.03017 0.02072 -0.00451 54 6PX -0.02082 -0.00293 0.01352 -0.01769 0.01054 55 6PY 0.01699 -0.02305 -0.02829 0.04227 0.00104 56 6PZ 0.00098 0.00117 -0.00952 0.03025 -0.00323 57 7D 0 -0.11155 0.06534 0.05385 -0.10114 0.00664 58 7D+1 0.08069 0.04905 0.01943 0.10527 -0.00703 59 7D-1 -0.04379 0.09593 -0.03320 -0.20342 0.02763 60 7D+2 -0.01156 0.04271 0.04555 -0.06952 0.07703 61 7D-2 -0.05811 0.03401 0.05952 -0.15045 -0.03436 62 8D 0 -0.03566 0.02116 0.01727 -0.03235 0.00243 63 8D+1 0.02448 0.01505 0.00613 0.03358 -0.00391 64 8D-1 -0.01345 0.02963 -0.01003 -0.06551 0.00789 65 8D+2 -0.00255 0.01459 0.01330 -0.02155 0.02370 66 8D-2 -0.01867 0.00956 0.01725 -0.04702 -0.01069 67 4 Cu 1S -0.00002 0.00001 0.00313 -0.00001 0.00000 68 2S 0.00032 0.00004 -0.03389 0.00020 -0.00036 69 3S -0.00072 0.00072 0.12602 -0.00022 -0.00086 70 4PX 0.00251 0.00304 0.00222 0.00046 0.00375 71 4PY 0.00171 0.00134 -0.00408 0.00068 0.00190 72 4PZ 0.00330 -0.00302 0.00043 0.00418 -0.00072 73 5PX 0.00842 0.01020 0.01562 0.00023 0.00188 74 5PY 0.00578 0.00435 -0.02897 0.00036 0.00118 75 5PZ 0.01106 -0.01008 0.00282 0.00218 -0.00041 76 6PX 0.00897 0.01079 0.00346 0.00177 0.01560 77 6PY 0.00597 0.00468 -0.00660 0.00272 0.00814 78 6PZ 0.01160 -0.01061 0.00083 0.01736 -0.00320 79 7D 0 0.00321 0.00686 0.07184 0.11849 0.01671 80 7D+1 -0.08816 0.02553 -0.01029 -0.06419 -0.14418 81 7D-1 0.11143 -0.12991 0.02002 0.14902 -0.10485 82 7D+2 -0.11927 -0.10315 0.06814 -0.07552 -0.11672 83 7D-2 0.04770 0.09040 0.10497 -0.06410 0.06984 84 8D 0 0.00253 0.00141 0.02371 0.03926 0.00558 85 8D+1 -0.02890 0.00662 -0.00338 -0.02186 -0.04797 86 8D-1 0.03515 -0.04221 0.00660 0.05049 -0.03508 87 8D+2 -0.03835 -0.03242 0.02247 -0.02533 -0.03969 88 8D-2 0.01439 0.02904 0.03461 -0.02130 0.02382 89 5 Cu 1S 0.00067 -0.00051 -0.00121 -0.00291 0.00024 90 2S -0.01473 0.01142 0.04142 0.04736 -0.00420 91 3S 0.02181 -0.01671 0.01680 -0.08290 0.00679 92 4PX -0.00087 -0.00094 0.00129 0.00108 0.00067 93 4PY -0.00060 -0.00038 -0.00141 -0.00076 0.00049 94 4PZ -0.00196 0.00167 0.00517 0.00597 -0.00061 95 5PX -0.02283 -0.01163 -0.00129 -0.00424 -0.01245 96 5PY 0.00939 -0.02245 -0.00096 0.00884 -0.00762 97 5PZ 0.00226 0.00122 -0.01539 0.01835 -0.00016 98 6PX -0.00505 -0.00230 -0.00110 -0.01056 -0.03230 99 6PY 0.00371 -0.00539 -0.00059 0.01141 -0.01894 100 6PZ 0.00745 -0.00522 -0.01194 -0.00977 0.00426 101 7D 0 0.19468 -0.11361 -0.19205 -0.10370 0.06826 102 7D+1 -0.18736 -0.04800 -0.06399 -0.07363 -0.34211 103 7D-1 0.10447 -0.20933 -0.03063 0.04880 -0.14349 104 7D+2 0.07788 -0.31057 0.24275 -0.01242 0.35003 105 7D-2 0.39147 -0.15392 0.35440 -0.06983 -0.27495 106 8D 0 0.06481 -0.03820 -0.06325 -0.03607 0.02239 107 8D+1 -0.06105 -0.01487 -0.02069 -0.02360 -0.11126 108 8D-1 0.03503 -0.06884 -0.01069 0.01448 -0.04644 109 8D+2 0.02508 -0.10309 0.07962 -0.00402 0.11456 110 8D-2 0.12950 -0.05013 0.11613 -0.02301 -0.08990 111 6 Cu 1S 0.00001 -0.00005 -0.00155 -0.00003 0.00004 112 2S -0.00012 0.00044 0.01312 -0.00024 0.00006 113 3S 0.00037 -0.00053 -0.14780 0.00008 0.00029 114 4PX -0.00356 -0.00425 -0.00013 -0.00139 -0.01103 115 4PY -0.00236 -0.00187 0.00001 -0.00193 -0.00565 116 4PZ -0.00463 0.00422 -0.00005 -0.01235 0.00213 117 5PX 0.01124 0.01281 0.02218 0.00810 0.06426 118 5PY 0.00753 0.00630 -0.04081 0.01131 0.03357 119 5PZ 0.01481 -0.01320 0.00439 0.07220 -0.01255 120 6PX -0.01939 -0.02454 -0.00103 0.00824 0.06680 121 6PY -0.01279 -0.01162 0.00412 0.01118 0.03525 122 6PZ -0.02445 0.02406 -0.00140 0.07449 -0.01340 123 7D 0 -0.02678 0.00943 0.03062 0.05794 0.00710 124 7D+1 0.05845 0.01290 -0.00486 -0.01970 -0.06575 125 7D-1 -0.05065 0.07961 0.00864 0.05093 -0.04340 126 7D+2 0.06667 0.04515 0.03130 -0.03083 -0.03609 127 7D-2 -0.01116 -0.05014 0.04552 -0.02954 0.02053 128 8D 0 -0.00815 0.00293 0.00903 0.01513 0.00191 129 8D+1 0.01740 0.00411 -0.00140 -0.00589 -0.01732 130 8D-1 -0.01487 0.02366 0.00251 0.01465 -0.01170 131 8D+2 0.01973 0.01326 0.00921 -0.00840 -0.01070 132 8D-2 -0.00315 -0.01481 0.01345 -0.00775 0.00620 133 7 Cu 1S -0.00077 -0.00034 -0.00119 0.00167 0.00240 134 2S 0.01684 0.00746 0.04138 -0.02728 -0.03941 135 3S -0.02541 -0.01070 0.01748 0.04681 0.06823 136 4PX -0.00161 -0.00135 -0.00285 0.00190 0.00335 137 4PY -0.00105 -0.00067 -0.00431 0.00233 0.00358 138 4PZ -0.00149 0.00078 -0.00194 0.00200 0.00148 139 5PX 0.01669 -0.00465 0.01187 0.01546 0.01217 140 5PY -0.01656 -0.01059 0.00798 0.00229 -0.00008 141 5PZ -0.00618 0.02317 0.00659 -0.00599 0.01465 142 6PX 0.01055 0.00186 0.00883 0.01281 -0.00815 143 6PY -0.00068 -0.00040 0.00650 -0.00595 -0.01809 144 6PZ 0.00215 0.00612 0.00508 -0.02958 0.01767 145 7D 0 -0.24666 -0.18349 0.34811 0.27343 -0.18024 146 7D+1 0.01159 0.01349 -0.29151 0.32123 -0.21099 147 7D-1 0.09238 -0.24267 -0.08396 -0.11352 0.15494 148 7D+2 -0.34609 -0.18067 0.07566 -0.20512 0.11384 149 7D-2 -0.33530 -0.00995 0.07928 0.07593 0.10839 150 8D 0 -0.08149 -0.05940 0.11411 0.08885 -0.05894 151 8D+1 0.00277 0.00528 -0.09593 0.10563 -0.06749 152 8D-1 0.03033 -0.08043 -0.02744 -0.03719 0.05120 153 8D+2 -0.11425 -0.06041 0.02414 -0.06592 0.03862 154 8D-2 -0.11097 -0.00358 0.02601 0.02563 0.03616 155 8 Cu 1S -0.00016 -0.00123 0.00060 -0.00097 0.00206 156 2S -0.00029 -0.00225 0.02451 -0.00300 0.00592 157 3S -0.00616 -0.04799 0.00931 -0.04114 0.08741 158 4PX 0.00822 -0.00001 0.00186 -0.00539 0.00361 159 4PY 0.00382 -0.01495 0.01249 0.00376 -0.01356 160 4PZ 0.01462 0.00341 -0.00612 -0.00617 -0.00027 161 5PX -0.03752 -0.00809 -0.00029 0.01947 -0.00238 162 5PY -0.01582 0.07539 -0.06068 -0.01724 0.06424 163 5PZ -0.06471 -0.01401 0.02474 0.03445 -0.00635 164 6PX -0.00993 -0.01167 0.00557 0.00243 0.00665 165 6PY -0.00186 0.02865 -0.03200 -0.01828 0.04696 166 6PZ -0.01469 -0.00210 0.01005 0.01772 -0.01730 167 7D 0 -0.08205 -0.04096 0.03661 0.06032 -0.10250 168 7D+1 0.05533 0.05442 -0.02123 0.03575 0.00899 169 7D-1 -0.00807 0.06074 0.03518 -0.09114 0.05502 170 7D+2 0.03671 -0.03790 0.07565 0.03098 0.03643 171 7D-2 0.01261 -0.14782 0.03811 0.09156 -0.24590 172 8D 0 -0.02471 -0.01267 0.01058 0.02024 -0.03155 173 8D+1 0.01796 0.01792 -0.00751 0.01025 0.00280 174 8D-1 -0.00390 0.01924 0.01006 -0.02891 0.01850 175 8D+2 0.01218 -0.01267 0.02307 0.00871 0.01181 176 8D-2 0.00312 -0.04600 0.01142 0.02864 -0.07842 177 9 C 1S 0.00002 -0.00002 -0.00323 0.00000 -0.00010 178 2S -0.00004 -0.00026 0.00960 -0.00005 0.00029 179 3S -0.00013 0.00122 0.00834 -0.00027 0.00103 180 4PX 0.00593 0.00742 -0.00451 0.00044 0.00303 181 4PY 0.00381 0.00278 0.00951 0.00066 0.00178 182 4PZ 0.00752 -0.00698 -0.00116 0.00364 -0.00057 183 5PX -0.00191 -0.00190 0.01035 -0.00092 -0.00638 184 5PY -0.00129 -0.00062 -0.01955 -0.00110 -0.00332 185 5PZ -0.00276 0.00201 0.00207 -0.00732 0.00118 186 10 O 1S 0.00000 0.00005 0.00099 0.00002 -0.00002 187 2S 0.00002 -0.00001 -0.00104 -0.00007 0.00006 188 3S 0.00001 -0.00065 -0.01289 -0.00004 0.00000 189 4PX -0.00550 -0.00709 0.00322 -0.00098 -0.00856 190 4PY -0.00349 -0.00277 -0.00705 -0.00179 -0.00407 191 4PZ -0.00683 0.00661 0.00085 -0.00953 0.00157 192 5PX -0.00143 -0.00200 0.00044 -0.00046 -0.00411 193 5PY -0.00088 -0.00085 -0.00169 -0.00073 -0.00212 194 5PZ -0.00164 0.00179 0.00033 -0.00455 0.00084 66 67 68 69 70 O O O O O EIGENVALUES -- -0.26123 -0.25853 -0.25851 -0.25772 -0.25770 1 1 Cu 1S 0.00111 -0.00057 -0.00002 0.00061 -0.00052 2 2S -0.05678 0.04676 0.00108 0.01128 -0.00932 3 3S 0.08166 -0.01100 -0.00034 0.03983 -0.03296 4 4PX -0.00420 -0.00298 0.00072 -0.00133 -0.00552 5 4PY 0.00765 -0.00321 0.00024 -0.00316 0.00049 6 4PZ -0.00091 -0.00176 -0.00192 0.00772 0.00821 7 5PX 0.01006 0.00964 -0.01518 0.01775 0.01899 8 5PY -0.04188 0.02829 -0.00447 0.00116 0.01000 9 5PZ -0.00138 0.00717 0.03482 -0.03715 -0.04446 10 6PX 0.00709 0.01092 -0.00911 0.03678 -0.03589 11 6PY -0.02671 0.01155 -0.00282 -0.03895 0.03193 12 6PZ -0.00075 0.00601 0.02139 0.01673 -0.00550 13 7D 0 0.09476 -0.10185 0.09865 -0.03540 0.05655 14 7D+1 -0.01437 0.04020 0.04569 0.02610 0.07053 15 7D-1 -0.03128 0.08299 0.17044 -0.03397 -0.16943 16 7D+2 0.13031 -0.13858 -0.00924 -0.19169 0.08963 17 7D-2 0.03250 0.08583 -0.08719 0.09062 -0.00355 18 8D 0 0.02937 -0.03153 0.02899 -0.01201 0.01851 19 8D+1 -0.00342 0.01244 0.01220 0.00919 0.02178 20 8D-1 -0.01012 0.02552 0.05398 -0.01119 -0.05429 21 8D+2 0.04235 -0.04304 -0.00163 -0.06063 0.02804 22 8D-2 0.00961 0.02620 -0.02717 0.02851 -0.00053 23 2 Cu 1S -0.00079 -0.00019 -0.00037 -0.00146 -0.00051 24 2S -0.03484 0.02027 0.03729 -0.00959 -0.00364 25 3S -0.10320 0.06152 0.11285 -0.07901 -0.02827 26 4PX -0.00578 0.00489 0.00883 -0.00130 -0.00166 27 4PY -0.00057 0.00107 0.00187 0.00220 -0.00003 28 4PZ 0.00358 -0.00306 -0.00603 0.00080 -0.00167 29 5PX 0.03546 -0.03157 -0.04923 0.02250 0.01130 30 5PY 0.00349 -0.00578 -0.00480 -0.02911 -0.00806 31 5PZ -0.02199 0.01100 0.03581 -0.00378 0.00395 32 6PX 0.01844 -0.01816 -0.01871 -0.00448 0.01776 33 6PY 0.00978 -0.00258 0.00571 0.00259 0.01430 34 6PZ -0.01461 -0.00430 0.01731 -0.01404 0.02818 35 7D 0 0.08704 0.06373 0.04986 0.19303 -0.00557 36 7D+1 -0.25074 0.15826 0.46064 0.18024 0.01763 37 7D-1 0.02198 0.11343 0.02735 0.33270 0.23053 38 7D+2 0.30933 -0.23973 -0.26048 0.30997 0.04560 39 7D-2 0.19506 -0.02090 -0.06051 -0.06924 0.04284 40 8D 0 0.02817 0.02143 0.01600 0.06322 -0.00149 41 8D+1 -0.08218 0.05185 0.15175 0.05957 0.00537 42 8D-1 0.00732 0.03735 0.00908 0.10958 0.07633 43 8D+2 0.10127 -0.07910 -0.08565 0.10223 0.01456 44 8D-2 0.06325 -0.00727 -0.02005 -0.02321 0.01386 45 3 Cu 1S 0.00112 0.00029 -0.00047 0.00016 0.00079 46 2S -0.05714 -0.02448 0.03940 0.00268 0.01423 47 3S 0.08217 0.00465 -0.00820 0.01044 0.05025 48 4PX -0.00401 0.00123 0.00160 -0.01050 0.00386 49 4PY 0.00779 0.00117 0.00008 -0.00634 -0.00215 50 4PZ -0.00068 -0.00260 0.00382 0.00096 -0.00091 51 5PX 0.01970 -0.02379 -0.02624 0.05598 -0.00840 52 5PY -0.03532 -0.02299 0.00246 0.02829 -0.01022 53 5PZ 0.01580 0.01597 -0.01936 -0.00505 0.00299 54 6PX 0.01314 -0.01596 -0.01297 -0.00076 0.03253 55 6PY -0.02311 -0.01015 -0.00489 -0.01545 -0.06230 56 6PZ 0.00937 0.01037 -0.01313 -0.00227 -0.01746 57 7D 0 0.00809 -0.07968 0.07327 0.00976 0.03334 58 7D+1 -0.06027 0.08379 0.16757 0.01107 0.12126 59 7D-1 0.09411 0.15221 -0.06295 -0.05998 -0.18880 60 7D+2 0.06144 0.10724 0.02516 -0.15289 0.01500 61 7D-2 0.10974 -0.00141 -0.09184 0.08885 -0.07588 62 8D 0 0.00301 -0.02427 0.02254 0.00325 0.01106 63 8D+1 -0.01962 0.02462 0.05101 0.00322 0.03837 64 8D-1 0.03118 0.04662 -0.01975 -0.01912 -0.05910 65 8D+2 0.01881 0.03498 0.00873 -0.04923 0.00411 66 8D-2 0.03400 -0.00165 -0.02941 0.02834 -0.02515 67 4 Cu 1S 0.00153 0.00001 0.00002 0.00000 -0.00001 68 2S -0.08458 0.00016 -0.00061 0.00032 0.00039 69 3S -0.03039 0.00041 -0.00017 0.00031 0.00010 70 4PX 0.00389 -0.00105 -0.00056 -0.00208 0.00047 71 4PY -0.00727 -0.00061 -0.00026 -0.00102 0.00052 72 4PZ 0.00071 -0.00062 0.00124 0.00064 0.00231 73 5PX -0.00554 0.00072 0.00036 0.00607 -0.00136 74 5PY 0.01047 0.00031 0.00022 0.00299 -0.00145 75 5PZ -0.00109 0.00039 -0.00081 -0.00192 -0.00677 76 6PX -0.01152 0.00110 0.00066 0.01864 -0.00418 77 6PY 0.02190 0.00051 0.00037 0.00941 -0.00430 78 6PZ -0.00242 0.00059 -0.00146 -0.00595 -0.02062 79 7D 0 -0.07612 -0.11133 0.12262 -0.00658 -0.23769 80 7D+1 0.01197 0.12511 0.11200 -0.22829 -0.05227 81 7D-1 -0.01959 0.06336 0.05724 -0.08238 0.09455 82 7D+2 -0.07326 0.01234 -0.05453 0.12541 0.03337 83 7D-2 -0.11005 0.06904 -0.04911 -0.08533 0.11851 84 8D 0 -0.02547 -0.03730 0.04108 -0.00224 -0.07830 85 8D+1 0.00400 0.04196 0.03749 -0.07503 -0.01807 86 8D-1 -0.00655 0.02118 0.01929 -0.02650 0.03264 87 8D+2 -0.02451 0.00423 -0.01823 0.04269 0.01043 88 8D-2 -0.03685 0.02307 -0.01650 -0.02907 0.03906 89 5 Cu 1S -0.00079 -0.00020 0.00034 0.00027 0.00157 90 2S -0.03328 0.02263 -0.03611 0.00232 0.00991 91 3S -0.10148 0.06900 -0.11019 0.01598 0.08425 92 4PX -0.00108 0.00098 -0.00118 0.00223 0.00088 93 4PY 0.00086 -0.00024 0.00051 0.00063 -0.00237 94 4PZ -0.00640 0.00645 -0.01042 0.00008 0.00095 95 5PX 0.00677 -0.01271 0.00520 -0.00903 -0.01691 96 5PY -0.00551 0.00089 -0.00887 0.00312 0.03193 97 5PZ 0.03973 -0.03541 0.05842 -0.00207 -0.01292 98 6PX 0.00036 -0.01503 -0.00095 -0.03276 0.00885 99 6PY 0.00431 -0.00126 -0.01166 -0.01866 -0.00206 100 6PZ 0.02441 -0.01261 0.02295 0.00207 -0.00590 101 7D 0 0.38526 -0.28872 0.48871 0.02531 0.10821 102 7D+1 0.07838 -0.13894 0.11084 -0.08081 -0.10924 103 7D-1 -0.05693 0.02638 -0.12061 0.05068 0.34813 104 7D+2 0.11416 -0.08380 -0.07526 0.07805 -0.27376 105 7D-2 0.15659 0.08904 -0.01556 -0.14785 -0.28759 106 8D 0 0.12593 -0.09500 0.16103 0.00827 0.03587 107 8D+1 0.02589 -0.04623 0.03606 -0.02614 -0.03623 108 8D-1 -0.01905 0.00830 -0.03972 0.01706 0.11497 109 8D+2 0.03714 -0.02770 -0.02471 0.02623 -0.09010 110 8D-2 0.05085 0.02917 -0.00499 -0.04892 -0.09446 111 6 Cu 1S -0.00049 0.00001 0.00002 -0.00001 0.00000 112 2S -0.01329 0.00015 0.00016 -0.00021 -0.00021 113 3S 0.00446 0.00034 0.00055 -0.00017 -0.00025 114 4PX -0.00332 -0.00294 -0.00157 0.01129 -0.00251 115 4PY 0.00641 -0.00182 -0.00052 0.00563 -0.00257 116 4PZ -0.00072 -0.00175 0.00331 -0.00360 -0.01242 117 5PX -0.00632 -0.00644 -0.00374 -0.04995 0.01079 118 5PY 0.01186 -0.00378 -0.00148 -0.02499 0.01107 119 5PZ -0.00146 -0.00393 0.00808 0.01613 0.05418 120 6PX 0.00421 0.00841 0.00559 0.02895 -0.00715 121 6PY -0.01053 0.00504 0.00221 0.01511 -0.00683 122 6PZ 0.00180 0.00404 -0.01017 -0.00891 -0.03281 123 7D 0 0.03492 0.01930 -0.02058 -0.00235 -0.18787 124 7D+1 -0.00661 -0.03824 -0.00632 -0.19007 -0.00317 125 7D-1 0.01271 0.00357 -0.04978 -0.09336 0.00800 126 7D+2 0.03684 -0.03890 -0.00439 0.03756 0.05231 127 7D-2 0.05133 0.00769 0.02505 -0.02508 0.09237 128 8D 0 0.01132 0.00673 -0.00734 -0.00058 -0.05314 129 8D+1 -0.00212 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-0.09748 149 7D-2 0.39493 0.41599 0.07391 -0.19931 0.13685 150 8D 0 0.00864 -0.06574 -0.01031 -0.08250 0.04241 151 8D+1 0.03115 0.08852 0.00914 0.06743 -0.10043 152 8D-1 0.05607 0.09026 -0.04047 0.00850 0.03523 153 8D+2 0.02090 -0.01444 -0.00808 0.07031 -0.03240 154 8D-2 0.12907 0.13705 0.02457 -0.06576 0.04472 155 8 Cu 1S 0.00108 0.00026 0.00049 -0.00077 -0.00028 156 2S -0.05654 -0.02170 -0.04139 -0.01335 -0.00448 157 3S 0.07984 0.00490 0.00967 -0.05085 -0.01809 158 4PX -0.00406 -0.00091 -0.00399 -0.00280 0.00519 159 4PY 0.00787 0.00043 -0.00066 0.00196 0.00499 160 4PZ -0.00081 0.00276 0.00138 -0.00412 0.00915 161 5PX 0.02838 -0.00384 0.03239 0.00560 -0.02983 162 5PY -0.03272 -0.01577 -0.00208 0.01130 -0.01824 163 5PZ -0.00355 -0.03367 0.00432 0.01749 -0.04847 164 6PX 0.01731 -0.00285 0.01775 -0.01622 -0.00219 165 6PY -0.02022 -0.00595 0.00567 0.06439 0.02540 166 6PZ -0.00188 -0.02074 0.00069 -0.02017 -0.00092 167 7D 0 0.08600 -0.08085 0.12560 0.04905 0.04354 168 7D+1 0.05075 0.16295 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2S 0.00000 0.00548 0.00447 0.01737 -0.00026 113 3S 0.00002 0.04272 0.03791 0.14802 0.00137 114 4PX 0.00017 -0.00444 0.00954 0.00925 0.00312 115 4PY 0.00011 -0.00797 0.00014 -0.01757 0.00019 116 4PZ 0.00018 0.00843 0.00749 -0.00210 -0.01077 117 5PX -0.00077 0.02114 -0.03847 -0.03145 -0.00759 118 5PY -0.00048 0.02909 -0.00458 0.05871 -0.00028 119 5PZ -0.00079 -0.03508 -0.03117 0.01130 0.02547 120 6PX 0.00030 -0.01325 0.00826 -0.00886 0.02507 121 6PY 0.00021 -0.00053 0.01028 0.01379 0.00517 122 6PZ 0.00063 0.01165 0.00999 -0.00560 -0.09196 123 7D 0 0.00349 0.00664 0.04227 -0.17765 -0.03501 124 7D+1 -0.00194 0.08533 -0.05852 0.01667 0.00002 125 7D-1 -0.00063 0.04448 -0.02870 -0.05190 -0.05637 126 7D+2 -0.00099 -0.05824 -0.06493 -0.13078 0.00490 127 7D-2 -0.00180 -0.08523 -0.09219 -0.19437 0.02512 128 8D 0 0.00099 0.00094 0.01145 -0.05437 -0.00909 129 8D+1 -0.00057 0.02446 -0.01773 0.00562 0.00139 130 8D-1 -0.00017 0.01415 -0.00750 -0.01663 -0.01802 131 8D+2 -0.00029 -0.01663 -0.02106 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7D-2 -0.11671 0.11555 -0.03317 0.06761 -0.07536 172 8D 0 0.09350 -0.01012 0.03752 0.02945 0.01120 173 8D+1 -0.06157 -0.07931 0.01854 0.06510 -0.04307 174 8D-1 0.02177 -0.05507 0.02719 0.03068 -0.04921 175 8D+2 -0.05405 0.00867 -0.01758 -0.00068 0.03210 176 8D-2 -0.03767 0.03663 -0.01062 0.02269 -0.02188 177 9 C 1S 0.00000 0.00676 0.00606 0.02367 0.00043 178 2S 0.00000 -0.01473 -0.01325 -0.05175 -0.00104 179 3S 0.00001 -0.03346 -0.02987 -0.11685 -0.00144 180 4PX -0.00011 0.01449 0.00156 0.02904 -0.00336 181 4PY -0.00006 -0.01513 -0.01920 -0.06054 -0.00137 182 4PZ -0.00010 -0.00425 -0.00354 0.01095 0.01362 183 5PX -0.00006 -0.00072 -0.00195 -0.00508 -0.00350 184 5PY -0.00003 0.00269 0.00185 0.00862 -0.00052 185 5PZ -0.00008 -0.00089 -0.00072 -0.00046 0.01355 186 10 O 1S 0.00000 -0.00156 -0.00138 -0.00541 -0.00008 187 2S 0.00000 0.00395 0.00350 0.01373 0.00029 188 3S 0.00000 0.00943 0.00834 0.03262 0.00009 189 4PX 0.00018 -0.01486 0.00320 -0.02049 0.00508 190 4PY 0.00010 0.00953 0.01650 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-0.10887 -0.02402 0.17621 0.11373 -0.01711 16 7D+2 -0.00797 0.14570 0.14357 0.01865 0.04438 17 7D-2 -0.09261 -0.00846 -0.03587 0.32449 0.11315 18 8D 0 0.04896 0.00158 -0.05279 0.05559 -0.01785 19 8D+1 -0.04069 0.02386 -0.06993 -0.01643 -0.02951 20 8D-1 -0.03478 -0.00800 0.05668 0.03632 -0.00513 21 8D+2 -0.00343 0.04412 0.04556 0.00567 0.01428 22 8D-2 -0.03160 -0.00431 -0.01177 0.10275 0.03583 23 2 Cu 1S 0.00094 0.00072 0.00000 -0.00012 -0.00041 24 2S -0.02960 0.00129 -0.00008 0.00701 0.02264 25 3S 0.03218 0.00637 -0.00005 0.00023 0.00090 26 4PX -0.00345 -0.00151 -0.00513 0.00149 0.00163 27 4PY -0.00150 -0.00235 -0.00355 -0.00101 -0.00553 28 4PZ -0.00090 0.00184 -0.00881 0.00186 0.00056 29 5PX 0.00094 0.00458 0.02303 -0.00461 -0.00407 30 5PY 0.01357 0.01169 0.01601 0.00386 0.02028 31 5PZ 0.01369 -0.00743 0.03958 -0.00686 -0.00332 32 6PX -0.02477 -0.00011 0.00825 -0.01327 0.00324 33 6PY 0.02586 0.00041 0.00558 0.00140 0.03704 34 6PZ -0.02871 -0.00009 0.01412 -0.02654 -0.00660 35 7D 0 0.01384 -0.01552 -0.19999 0.08392 0.01506 36 7D+1 0.14648 -0.09058 0.19624 -0.00595 -0.03926 37 7D-1 -0.08054 -0.05478 -0.13944 -0.07508 -0.03387 38 7D+2 0.17182 0.02600 0.19094 0.02310 0.00357 39 7D-2 0.02590 0.04094 0.05251 -0.01760 0.12753 40 8D 0 0.00344 -0.00510 -0.06646 0.02642 0.00547 41 8D+1 0.04869 -0.02956 0.06471 -0.00179 -0.01317 42 8D-1 -0.02614 -0.01774 -0.04562 -0.02411 -0.01117 43 8D+2 0.05650 0.00860 0.06287 0.00775 0.00156 44 8D-2 0.00684 0.01319 0.01766 -0.00499 0.04188 45 3 Cu 1S 0.00016 -0.00091 0.00001 -0.00154 0.00166 46 2S 0.01127 0.02319 0.00007 -0.02729 0.02947 47 3S 0.01911 -0.07811 0.00047 -0.06225 0.06703 48 4PX 0.00412 0.00156 -0.00417 -0.00923 -0.00039 49 4PY 0.00502 -0.00247 -0.00227 0.00453 -0.01031 50 4PZ 0.00110 0.00152 0.00044 -0.00204 0.00326 51 5PX -0.01872 -0.00090 0.03084 0.03160 -0.01384 52 5PY -0.02231 -0.00358 0.01661 -0.03505 0.04831 53 5PZ -0.00279 -0.02270 -0.00313 0.00097 -0.00320 54 6PX -0.08726 -0.00534 0.01870 -0.03837 -0.02084 55 6PY -0.03491 0.00519 0.00979 -0.00188 -0.03112 56 6PZ 0.01215 -0.00924 -0.00187 0.00648 -0.00064 57 7D 0 0.05119 0.05824 -0.02459 -0.12123 0.16190 58 7D+1 0.13208 -0.06368 0.15694 -0.12973 -0.03671 59 7D-1 0.03550 0.14373 0.05033 0.03208 -0.12418 60 7D+2 -0.17890 -0.01048 -0.25442 -0.12323 0.14695 61 7D-2 0.08850 0.01703 0.19201 -0.19233 0.17532 62 8D 0 0.01692 0.01624 -0.00768 -0.03891 0.05193 63 8D+1 0.04159 -0.01971 0.04912 -0.04154 -0.01172 64 8D-1 0.01146 0.04414 0.01555 0.01001 -0.03939 65 8D+2 -0.05429 -0.00383 -0.08123 -0.03829 0.04634 66 8D-2 0.02719 0.00434 0.06117 -0.06049 0.05460 67 4 Cu 1S 0.00003 -0.00066 0.00000 0.00001 0.00001 68 2S -0.00089 0.07257 -0.00001 0.00017 0.00008 69 3S -0.00162 0.17219 -0.00003 0.00066 0.00031 70 4PX -0.00340 -0.00770 -0.00001 0.00557 0.00476 71 4PY -0.00219 0.01413 -0.00001 0.00353 0.00194 72 4PZ -0.00105 -0.00133 0.00001 0.00508 -0.00657 73 5PX 0.01769 0.04097 0.00019 -0.03870 -0.03305 74 5PY 0.01129 -0.07520 0.00012 -0.02444 -0.01343 75 5PZ 0.00545 0.00712 0.00005 -0.03528 0.04557 76 6PX 0.04071 0.02561 -0.00011 -0.00101 -0.00085 77 6PY 0.02371 -0.04592 -0.00006 -0.00082 -0.00036 78 6PZ 0.01207 0.00393 -0.00011 -0.00103 0.00124 79 7D 0 -0.26742 0.39128 0.00292 -0.18603 0.11177 80 7D+1 0.39707 -0.04521 -0.00216 0.39663 0.04715 81 7D-1 0.26866 0.10498 -0.00058 -0.21470 0.56251 82 7D+2 -0.20219 0.36917 -0.00301 0.46383 0.19859 83 7D-2 0.28992 0.57088 -0.00023 -0.10101 -0.30394 84 8D 0 -0.08747 0.12878 0.00096 -0.06088 0.03649 85 8D+1 0.13005 -0.01490 -0.00070 0.13060 0.01499 86 8D-1 0.08775 0.03456 -0.00019 -0.07116 0.18555 87 8D+2 -0.06552 0.12154 -0.00100 0.15313 0.06582 88 8D-2 0.09442 0.18789 -0.00006 -0.03369 -0.10026 89 5 Cu 1S 0.00047 0.00069 0.00000 -0.00029 0.00032 90 2S -0.01558 0.00241 0.00014 0.01595 -0.01722 91 3S 0.01697 0.00485 -0.00016 0.00095 -0.00088 92 4PX -0.00318 0.00052 0.00954 0.00328 -0.00075 93 4PY -0.00159 -0.00170 0.00503 -0.00291 0.00457 94 4PZ -0.00101 -0.00274 -0.00095 -0.00053 0.00028 95 5PX 0.01453 -0.00305 -0.04290 -0.01147 0.00265 96 5PY 0.01372 0.00887 -0.02272 0.01052 -0.01633 97 5PZ -0.00365 0.01102 0.00434 0.00339 -0.00267 98 6PX -0.03763 0.00004 -0.01464 -0.02877 -0.00646 99 6PY 0.00185 -0.00094 -0.00804 0.01144 -0.03194 100 6PZ 0.00470 -0.00002 0.00141 0.01326 -0.01064 101 7D 0 -0.02004 0.10940 0.04622 0.07039 -0.05752 102 7D+1 0.09277 0.00802 -0.25338 -0.07766 -0.02316 103 7D-1 0.06278 0.03452 -0.15546 0.03735 -0.08335 104 7D+2 0.23199 -0.01686 -0.19578 0.06276 0.02614 105 7D-2 -0.07929 -0.02846 0.10109 -0.00458 -0.07162 106 8D 0 -0.00722 0.03570 0.01533 0.02323 -0.01933 107 8D+1 0.03123 0.00273 -0.08406 -0.02453 -0.00684 108 8D-1 0.02032 0.01110 -0.05148 0.01260 -0.02687 109 8D+2 0.07627 -0.00544 -0.06418 0.02038 0.00808 110 8D-2 -0.02677 -0.00928 0.03302 -0.00095 -0.02338 111 6 Cu 1S 0.00001 0.00126 0.00000 0.00001 0.00000 112 2S 0.00000 -0.00754 0.00000 -0.00002 0.00001 113 3S 0.00012 0.07950 -0.00003 0.00015 0.00024 114 4PX 0.00953 0.00021 -0.00002 -0.00166 -0.00146 115 4PY 0.00517 -0.00006 -0.00001 -0.00104 -0.00059 116 4PZ 0.00288 -0.00006 -0.00003 -0.00146 0.00194 117 5PX -0.02252 -0.01284 -0.00005 0.01130 0.00959 118 5PY -0.01228 0.02320 -0.00003 0.00717 0.00420 119 5PZ -0.00670 -0.00215 0.00006 0.01021 -0.01329 120 6PX 0.08025 -0.00534 -0.00050 0.03443 0.02917 121 6PY 0.04577 0.01201 -0.00032 0.02161 0.01186 122 6PZ 0.02393 -0.00159 -0.00045 0.03140 -0.04031 123 7D 0 0.02059 -0.02413 -0.00017 -0.03223 0.02373 124 7D+1 -0.04965 0.00307 -0.00011 0.02736 0.03073 125 7D-1 -0.01086 -0.00747 -0.00029 0.00905 0.02200 126 7D+2 -0.04389 -0.02417 0.00025 0.01056 -0.00890 127 7D-2 0.00942 -0.03480 0.00003 0.01581 -0.01147 128 8D 0 0.00545 -0.00810 -0.00005 -0.00986 0.00720 129 8D+1 -0.01408 0.00106 -0.00003 0.00902 0.00905 130 8D-1 -0.00239 -0.00245 -0.00009 0.00205 0.00793 131 8D+2 -0.01453 -0.00811 0.00007 0.00434 -0.00201 132 8D-2 0.00417 -0.01171 0.00001 0.00431 -0.00416 133 7 Cu 1S -0.00144 0.00068 0.00000 0.00042 0.00010 134 2S 0.04585 0.00252 -0.00006 -0.02283 -0.00534 135 3S -0.04865 0.00476 0.00020 -0.00098 -0.00005 136 4PX -0.00307 0.00294 -0.00436 -0.00377 0.00002 137 4PY -0.00269 -0.00001 -0.00145 0.00452 0.00131 138 4PZ -0.00099 0.00142 0.00976 -0.00046 -0.00202 139 5PX 0.00593 -0.01300 0.01961 0.01504 0.00043 140 5PY -0.01417 0.00188 0.00655 -0.01494 -0.00432 141 5PZ -0.00368 -0.00611 -0.04382 0.00260 0.00726 142 6PX 0.03189 0.00040 0.00656 0.03288 -0.00445 143 6PY -0.04447 -0.00081 0.00256 -0.01843 -0.00802 144 6PZ 0.01455 0.00051 -0.01538 0.00487 0.02783 145 7D 0 -0.09920 -0.04793 0.15246 -0.00699 -0.06841 146 7D+1 0.06994 0.08104 0.05475 -0.03461 -0.08470 147 7D-1 0.03876 0.04029 0.29583 -0.01313 0.02875 148 7D+2 -0.00609 0.03880 0.00343 -0.12131 0.01910 149 7D-2 -0.11039 0.04806 -0.15221 -0.05746 -0.01106 150 8D 0 -0.03156 -0.01563 0.05071 -0.00264 -0.02148 151 8D+1 0.02371 0.02637 0.01854 -0.01160 -0.02684 152 8D-1 0.01288 0.01323 0.09739 -0.00451 0.00944 153 8D+2 0.00051 0.01251 0.00084 -0.03976 0.00572 154 8D-2 -0.03497 0.01576 -0.05023 -0.01931 -0.00399 155 8 Cu 1S 0.00032 -0.00087 0.00000 -0.00067 -0.00216 156 2S 0.02143 0.02412 -0.00003 -0.01181 -0.03857 157 3S 0.03500 -0.07592 -0.00028 -0.02738 -0.08823 158 4PX 0.00282 0.00243 0.00227 -0.00593 -0.00648 159 4PY 0.00676 -0.00198 0.00150 0.00039 0.01031 160 4PZ 0.00151 -0.00059 0.00393 -0.00602 0.00240 161 5PX -0.00999 -0.01669 -0.01670 0.01562 0.02615 162 5PY -0.02908 -0.00975 -0.01131 -0.01263 -0.05854 163 5PZ -0.00915 0.01366 -0.02881 0.01406 0.00326 164 6PX -0.03872 -0.01042 -0.00949 -0.02361 0.00087 165 6PY -0.00567 0.00500 -0.00685 -0.00856 0.02688 166 6PZ -0.06837 0.00387 -0.01626 -0.03928 0.00581 167 7D 0 -0.15648 0.02095 0.19237 0.06311 -0.18475 168 7D+1 -0.15961 -0.02948 0.06718 -0.02121 0.07344 169 7D-1 0.06015 -0.10146 -0.22638 -0.06185 -0.13229 170 7D+2 -0.00482 -0.05595 0.11339 -0.11130 -0.26852 171 7D-2 0.08107 0.11983 -0.15766 -0.10662 -0.14123 172 8D 0 -0.04841 0.00587 0.06051 0.02061 -0.05798 173 8D+1 -0.05036 -0.00823 0.02183 -0.00635 0.02426 174 8D-1 0.01773 -0.03122 -0.07218 -0.01976 -0.04117 175 8D+2 0.00041 -0.01834 0.03646 -0.03512 -0.08509 176 8D-2 0.02628 0.03572 -0.04987 -0.03397 -0.04430 177 9 C 1S 0.00023 0.00199 0.00000 0.00001 -0.00001 178 2S -0.00057 -0.00471 0.00000 -0.00003 -0.00001 179 3S -0.00071 -0.00725 0.00001 0.00000 0.00041 180 4PX -0.01168 0.00238 0.00003 0.00145 0.00142 181 4PY -0.00698 -0.00534 0.00002 0.00083 0.00052 182 4PZ -0.00353 0.00072 0.00004 0.00113 -0.00168 183 5PX -0.01169 -0.00451 0.00006 -0.00165 -0.00128 184 5PY -0.00670 0.00832 0.00003 -0.00103 -0.00043 185 5PZ -0.00378 -0.00089 0.00005 -0.00165 0.00190 186 10 O 1S -0.00004 -0.00074 0.00000 0.00000 0.00000 187 2S 0.00015 0.00111 0.00000 0.00001 0.00001 188 3S -0.00009 0.00768 0.00000 0.00000 -0.00007 189 4PX 0.01678 -0.00196 -0.00004 -0.00147 -0.00153 190 4PY 0.00936 0.00460 -0.00003 -0.00083 -0.00055 191 4PZ 0.00520 -0.00064 -0.00006 -0.00106 0.00172 192 5PX 0.01172 -0.00019 -0.00004 -0.00049 -0.00059 193 5PY 0.00629 0.00104 -0.00003 -0.00027 -0.00028 194 5PZ 0.00369 -0.00023 -0.00004 -0.00025 0.00060 81 82 83 84 85 O O O V V EIGENVALUES -- -0.20300 -0.20297 -0.18695 -0.08621 -0.08602 1 1 Cu 1S -0.00016 0.00103 0.00086 -0.00448 -0.00316 2 2S 0.03127 -0.20485 0.05579 -0.13291 -0.09613 3 3S -0.01189 0.08597 0.05613 -0.02731 -0.01813 4 4PX 0.01901 0.02127 0.03583 -0.00434 0.00915 5 4PY 0.00781 -0.00699 -0.04212 0.01876 0.01761 6 4PZ -0.04826 -0.00001 0.01049 0.01802 -0.01670 7 5PX -0.04284 -0.06459 -0.08771 -0.01581 -0.04682 8 5PY -0.01625 0.00013 0.09445 -0.06697 -0.06001 9 5PZ 0.11564 -0.00885 -0.02679 -0.06590 0.03797 10 6PX -0.00519 -0.05328 0.00003 -0.06924 0.04057 11 6PY -0.00047 -0.02582 0.00621 -0.07228 -0.02040 12 6PZ 0.03097 -0.02188 0.00015 0.06517 -0.14276 13 7D 0 0.04653 0.05831 0.03479 0.00307 0.03518 14 7D+1 0.00362 -0.08813 -0.08787 -0.03759 0.02003 15 7D-1 0.19544 -0.01928 0.03704 0.01468 -0.02485 16 7D+2 0.02962 -0.03222 -0.12457 0.01991 -0.01655 17 7D-2 -0.07645 -0.08597 0.07513 0.00605 0.01147 18 8D 0 0.01736 0.01938 0.00985 0.00184 0.01060 19 8D+1 0.00315 -0.03005 -0.02885 -0.01180 0.00539 20 8D-1 0.06532 -0.00778 0.01249 0.00474 -0.00825 21 8D+2 0.00897 -0.01187 -0.04328 0.00585 -0.00497 22 8D-2 -0.02538 -0.03202 0.02380 0.00163 0.00391 23 2 Cu 1S -0.00052 -0.00041 -0.00011 0.00023 -0.00219 24 2S -0.26155 -0.20666 -0.13994 -0.00190 0.01583 25 3S -0.10070 -0.07931 -0.08521 0.00729 -0.07099 26 4PX -0.01509 0.00068 -0.00308 0.00288 -0.01437 27 4PY -0.00216 0.00728 -0.01395 -0.00362 0.03871 28 4PZ -0.00626 0.01674 0.00757 0.00287 -0.00721 29 5PX 0.01649 -0.02346 -0.00464 -0.02185 0.07811 30 5PY 0.00112 -0.02522 0.03926 0.00495 -0.11977 31 5PZ 0.03596 -0.03423 -0.01361 -0.02232 0.00026 32 6PX -0.01810 -0.02001 -0.00306 0.03487 0.06993 33 6PY 0.02323 0.01436 0.00759 0.04988 -0.17356 34 6PZ 0.00826 -0.00328 -0.00141 0.06918 0.04276 35 7D 0 -0.09011 0.08859 0.04954 -0.01633 0.00029 36 7D+1 0.05447 -0.03786 -0.01014 -0.01708 0.01433 37 7D-1 0.00052 0.00390 -0.02061 0.02767 0.04836 38 7D+2 0.01169 -0.05463 0.01864 -0.02419 0.02583 39 7D-2 0.01128 -0.06694 0.09884 0.02123 -0.03294 40 8D 0 -0.02889 0.02995 0.01586 -0.00553 -0.00079 41 8D+1 0.02221 -0.00991 -0.00203 -0.00433 0.00474 42 8D-1 -0.00057 0.00175 -0.00787 0.00742 0.01641 43 8D+2 0.00089 -0.02126 0.00358 -0.00655 0.00894 44 8D-2 0.00416 -0.02145 0.03230 0.00684 -0.01278 45 3 Cu 1S 0.00097 -0.00039 0.00085 0.00508 -0.00207 46 2S -0.19176 0.07668 0.05750 0.15178 -0.06417 47 3S 0.08074 -0.03111 0.05608 0.02975 -0.01071 48 4PX 0.02404 0.04073 0.02515 0.01885 0.01707 49 4PY -0.00601 0.02861 -0.04965 -0.01032 0.01802 50 4PZ -0.01303 0.00000 -0.00816 0.01493 -0.00804 51 5PX -0.05301 -0.09795 -0.05792 -0.05367 -0.04946 52 5PY 0.01099 -0.06661 0.11537 0.02241 -0.04885 53 5PZ 0.05226 -0.00839 0.02493 -0.08141 0.03935 54 6PX -0.01017 -0.02496 -0.00187 0.03387 0.15034 55 6PY 0.00458 -0.01718 0.00440 0.05628 0.06428 56 6PZ 0.05908 -0.01993 -0.00381 -0.07611 0.01054 57 7D 0 -0.13226 0.02993 -0.01622 0.00461 -0.00582 58 7D+1 0.02862 0.10674 0.06896 0.01358 0.02361 59 7D-1 0.00373 0.07845 -0.14884 0.00644 0.00602 60 7D+2 0.06987 0.13278 0.04740 -0.03415 -0.03279 61 7D-2 -0.01247 -0.08804 0.04466 -0.01187 0.03824 62 8D 0 -0.04738 0.01088 -0.00591 0.00204 -0.00181 63 8D+1 0.00990 0.03779 0.02362 0.00379 0.00633 64 8D-1 0.00170 0.02703 -0.05056 0.00204 0.00126 65 8D+2 0.02197 0.04367 0.01448 -0.01090 -0.01012 66 8D-2 -0.00513 -0.02794 0.01276 -0.00412 0.01201 67 4 Cu 1S -0.00001 -0.00001 0.00043 -0.00001 -0.00009 68 2S 0.00316 0.00106 0.38297 -0.00019 -0.00381 69 3S 0.00139 0.00035 0.10081 0.00029 -0.00346 70 4PX 0.00525 0.01529 -0.00619 0.01310 0.02674 71 4PY 0.00131 0.00880 0.01137 0.01001 0.01290 72 4PZ -0.01758 0.00519 -0.00095 0.02972 -0.01614 73 5PX -0.01606 -0.04635 -0.00788 -0.04875 -0.09866 74 5PY -0.00363 -0.02643 0.01497 -0.03721 -0.04905 75 5PZ 0.05316 -0.01572 -0.00188 -0.11056 0.06004 76 6PX -0.00137 -0.00359 -0.01940 -0.01666 -0.03542 77 6PY 0.00006 -0.00178 0.03768 -0.01260 -0.01914 78 6PZ 0.00388 -0.00119 -0.00434 -0.03841 0.02244 79 7D 0 -0.05407 0.02531 -0.01467 -0.00767 -0.00140 80 7D+1 -0.09410 0.00721 0.00272 0.03467 0.00575 81 7D-1 0.14110 -0.05169 -0.00485 -0.04915 0.03907 82 7D+2 0.04558 0.14387 -0.01471 0.03459 0.04410 83 7D-2 -0.02788 -0.10213 -0.02134 -0.00512 -0.03607 84 8D 0 -0.01678 0.00766 -0.00819 -0.00193 -0.00048 85 8D+1 -0.03048 0.00361 0.00136 0.01001 0.00134 86 8D-1 0.04724 -0.01654 -0.00248 -0.01434 0.01122 87 8D+2 0.01464 0.04779 -0.00814 0.00999 0.01292 88 8D-2 -0.00981 -0.03342 -0.01197 -0.00164 -0.01049 89 5 Cu 1S 0.00062 -0.00025 -0.00016 -0.00203 0.00108 90 2S 0.30767 -0.12271 -0.14504 0.01267 -0.00059 91 3S 0.11739 -0.04769 -0.09032 -0.06657 0.03123 92 4PX 0.01057 0.01571 0.00479 -0.01722 0.00939 93 4PY -0.00164 0.01098 -0.01120 0.03546 -0.01488 94 4PZ 0.00949 -0.00581 -0.01042 0.00344 -0.00285 95 5PX -0.02527 -0.04770 -0.01695 0.05534 -0.04705 96 5PY 0.00166 -0.03056 0.03536 -0.12338 0.04378 97 5PZ 0.01134 0.00151 0.01465 0.02612 -0.00300 98 6PX 0.01247 -0.01341 -0.00423 0.10380 0.04074 99 6PY -0.02740 0.00610 0.00919 -0.12264 0.10289 100 6PZ 0.01530 -0.00535 -0.00019 -0.01693 0.00353 101 7D 0 0.04611 0.00833 0.05535 -0.02240 0.00956 102 7D+1 -0.05259 -0.12912 -0.02773 0.02506 0.00023 103 7D-1 -0.01738 -0.07228 0.05706 -0.05033 0.02367 104 7D+2 0.00855 -0.02155 0.03794 -0.00192 -0.04176 105 7D-2 0.02095 -0.01387 0.06555 0.02205 0.01970 106 8D 0 0.02006 0.00088 0.01616 -0.00835 0.00341 107 8D+1 -0.01508 -0.04378 -0.01024 0.00922 0.00040 108 8D-1 -0.00860 -0.02300 0.02048 -0.01771 0.00883 109 8D+2 0.00223 -0.00797 0.01162 -0.00045 -0.01150 110 8D-2 0.00630 -0.00362 0.02058 0.00562 0.00574 111 6 Cu 1S 0.00002 0.00002 0.00082 -0.00001 -0.00040 112 2S -0.00301 -0.00085 -0.15758 -0.00033 -0.00709 113 3S 0.00129 -0.00007 0.06134 -0.00042 0.01069 114 4PX 0.01589 0.04571 -0.01757 -0.02065 -0.04299 115 4PY 0.00341 0.02607 0.03241 -0.01610 -0.02064 116 4PZ -0.05233 0.01551 -0.00301 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0.00928 -0.00328 0.01426 0.02015 0.01707 137 4PY 0.00426 -0.01096 -0.00465 -0.02746 -0.01955 138 4PZ -0.01812 -0.00645 0.00588 0.00666 0.00336 139 5PX -0.02297 -0.01817 -0.03183 -0.04017 -0.04776 140 5PY -0.00834 0.00504 0.02510 0.11278 0.07726 141 5PZ 0.05483 0.00253 -0.01115 -0.01924 0.00962 142 6PX -0.00428 0.00494 -0.00512 -0.10412 -0.03744 143 6PY 0.00392 -0.03563 0.00843 0.10199 0.09065 144 6PZ 0.00877 -0.00180 -0.00179 0.02759 -0.08495 145 7D 0 -0.10109 -0.00369 0.04436 -0.01984 0.00339 146 7D+1 -0.07577 -0.00001 0.01688 0.01641 0.04542 147 7D-1 -0.07850 0.00088 0.00241 0.01357 -0.02989 148 7D+2 0.03094 0.02903 0.08752 0.05144 0.01674 149 7D-2 0.04727 0.04597 0.05485 -0.01601 0.00086 150 8D 0 -0.03301 -0.00350 0.01437 -0.00590 0.00168 151 8D+1 -0.02495 0.00204 0.00566 0.00608 0.01459 152 8D-1 -0.02742 0.00318 -0.00048 0.00301 -0.00802 153 8D+2 0.01021 0.00730 0.02968 0.01819 0.00713 154 8D-2 0.01538 0.01962 0.01534 -0.00412 0.00000 155 8 Cu 1S -0.00085 -0.00067 0.00084 -0.00064 0.00565 156 2S 0.16345 0.12882 0.05475 -0.01846 0.16232 157 3S -0.06862 -0.05421 0.05425 -0.00467 0.04401 158 4PX -0.01361 0.02111 0.01622 0.00979 0.02335 159 4PY 0.00342 0.02539 -0.05257 0.01020 -0.01179 160 4PZ -0.03373 0.02816 0.01236 0.02213 -0.00510 161 5PX 0.01617 -0.06271 -0.03321 -0.02448 -0.09564 162 5PY -0.00944 -0.06113 0.12370 -0.02690 0.01493 163 5PZ 0.08984 -0.05894 -0.03194 -0.06560 0.03902 164 6PX -0.02673 -0.03892 -0.00590 0.08383 -0.06571 165 6PY -0.01482 -0.02447 0.00669 0.05117 0.02588 166 6PZ 0.04405 0.00419 0.00071 0.12538 0.05018 167 7D 0 0.03351 -0.06848 0.01520 -0.03063 -0.02356 168 7D+1 -0.15923 0.02408 0.01517 -0.00845 -0.01913 169 7D-1 0.02995 -0.12392 0.11962 0.03964 -0.01201 170 7D+2 -0.04108 0.12404 0.10850 -0.01750 -0.01208 171 7D-2 0.03264 0.02845 -0.07026 0.02839 -0.01226 172 8D 0 0.01323 -0.02403 0.00352 -0.00849 -0.00749 173 8D+1 -0.05493 0.00702 0.00451 -0.00300 -0.00652 174 8D-1 0.00928 -0.04053 0.03964 0.01230 -0.00419 175 8D+2 -0.01177 0.04286 0.03559 -0.00574 -0.00386 176 8D-2 0.01162 0.01182 -0.02560 0.00833 -0.00383 177 9 C 1S 0.00014 0.00016 -0.03254 -0.00009 -0.00036 178 2S -0.00033 -0.00040 0.08122 0.00025 0.00070 179 3S -0.00109 -0.00088 0.11632 0.00052 0.00250 180 4PX -0.02623 -0.07316 -0.03524 0.19304 0.41048 181 4PY -0.00314 -0.03980 0.07980 0.15047 0.17401 182 4PZ 0.08267 -0.02484 -0.01255 0.44014 -0.23967 183 5PX -0.01192 -0.03400 -0.00676 0.10891 0.23190 184 5PY -0.00163 -0.01880 0.01748 0.08440 0.09827 185 5PZ 0.03872 -0.01181 -0.00330 0.24813 -0.13547 186 10 O 1S 0.00005 0.00004 0.00623 0.00003 0.00008 187 2S -0.00014 -0.00010 -0.02127 -0.00007 -0.00007 188 3S -0.00028 -0.00029 -0.01404 -0.00027 -0.00089 189 4PX 0.02949 0.08216 0.02056 -0.14194 -0.30144 190 4PY 0.00288 0.04399 -0.05094 -0.11069 -0.12724 191 4PZ -0.09253 0.02806 0.00922 -0.32359 0.17577 192 5PX 0.01861 0.05198 0.00583 -0.10295 -0.21899 193 5PY 0.00184 0.02786 -0.01693 -0.08022 -0.09232 194 5PZ -0.05859 0.01781 0.00370 -0.23471 0.12768 86 87 88 89 90 V V V V V EIGENVALUES -- -0.07931 -0.07077 -0.07059 -0.04250 -0.03085 1 1 Cu 1S 0.00223 -0.00531 -0.00770 -0.00628 -0.00005 2 2S -0.08291 -0.14364 -0.20677 -0.13923 0.01995 3 3S 0.27830 0.03355 0.04730 -0.16037 -0.02838 4 4PX -0.02879 0.00833 0.02952 -0.00259 0.04489 5 4PY -0.03455 0.00685 0.01563 0.02496 -0.02096 6 4PZ -0.01759 0.02603 0.00072 -0.00034 -0.01655 7 5PX 0.08811 -0.03595 -0.12959 -0.03887 -0.17280 8 5PY 0.06424 -0.05936 -0.11179 -0.04142 0.09768 9 5PZ 0.04817 -0.12072 -0.00848 -0.01440 0.04288 10 6PX 0.02312 -0.05664 -0.03578 -0.03225 0.13592 11 6PY 0.01152 -0.06338 -0.07733 -0.02073 -0.11617 12 6PZ 0.01468 0.02258 -0.06359 -0.02452 -0.01905 13 7D 0 -0.04254 0.02581 -0.06526 0.05983 -0.00396 14 7D+1 0.03534 0.06566 -0.01598 -0.00953 0.04517 15 7D-1 0.03862 -0.01450 0.01179 -0.00651 -0.01959 16 7D+2 -0.02711 -0.04113 0.00541 0.06813 0.02126 17 7D-2 0.04428 -0.01912 -0.02037 0.04870 -0.00425 18 8D 0 -0.01199 0.00680 -0.01775 0.01598 -0.00250 19 8D+1 0.00880 0.01687 -0.00387 -0.00153 0.01444 20 8D-1 0.01037 -0.00250 0.00093 -0.00390 -0.00523 21 8D+2 -0.00914 -0.01028 0.00130 0.02135 0.00678 22 8D-2 0.01098 -0.00728 -0.00684 0.00950 -0.00073 23 2 Cu 1S 0.00941 0.01087 -0.00082 -0.00020 0.00034 24 2S 0.15691 0.24349 -0.01830 0.02251 0.00276 25 3S 0.08258 0.21663 -0.01625 0.09221 0.00739 26 4PX -0.04021 -0.02870 0.02753 -0.00360 0.02323 27 4PY -0.01202 -0.00548 0.01836 0.04163 0.01935 28 4PZ 0.02844 0.02371 0.04174 -0.01492 0.04303 29 5PX 0.17839 0.17266 -0.11619 0.01555 -0.08593 30 5PY 0.04918 0.00320 -0.07323 -0.18118 -0.07202 31 5PZ -0.12435 -0.12124 -0.16800 0.06500 -0.16088 32 6PX 0.11828 0.08128 -0.05040 -0.00176 -0.14670 33 6PY 0.01543 0.07665 -0.03707 -0.08432 -0.11915 34 6PZ -0.07531 -0.08654 -0.06937 0.03582 -0.26713 35 7D 0 -0.01070 0.01142 0.03392 -0.00243 0.02075 36 7D+1 -0.05849 0.00543 -0.04192 0.02212 -0.01418 37 7D-1 -0.01763 0.00693 0.03458 0.03138 0.00406 38 7D+2 0.03251 -0.00185 -0.04174 0.00725 -0.01248 39 7D-2 0.01125 0.00858 -0.00700 -0.03389 -0.01131 40 8D 0 -0.00318 0.00323 0.00958 -0.00047 0.00775 41 8D+1 -0.01849 -0.00013 -0.01192 0.00680 -0.00574 42 8D-1 -0.00508 0.00053 0.01016 0.00931 0.00254 43 8D+2 0.01087 -0.00033 -0.01203 0.00207 -0.00514 44 8D-2 0.00351 0.00400 -0.00202 -0.00971 -0.00365 45 3 Cu 1S 0.00226 -0.00411 0.00839 -0.00628 0.00010 46 2S -0.08178 -0.11139 0.22572 -0.13943 -0.02040 47 3S 0.27881 0.02593 -0.05264 -0.15997 0.03103 48 4PX 0.00857 -0.01898 -0.00803 -0.00906 -0.04038 49 4PY -0.00824 -0.01170 -0.00059 0.02039 0.02615 50 4PZ 0.04694 -0.01386 0.03373 -0.01146 0.01841 51 5PX -0.00868 0.09529 0.01559 0.00267 0.14892 52 5PY -0.00386 0.03665 0.03598 -0.01182 -0.12490 53 5PZ -0.11935 0.07447 -0.17578 0.05740 -0.06906 54 6PX -0.00247 -0.03553 -0.04915 0.00756 -0.12349 55 6PY -0.00663 -0.04155 0.02113 0.00836 0.13670 56 6PZ -0.02930 0.05623 -0.09937 0.04446 0.03695 57 7D 0 0.06700 -0.00963 -0.00405 0.02680 -0.01936 58 7D+1 0.03005 0.06060 0.02254 -0.02444 0.00844 59 7D-1 -0.03014 0.02463 0.01240 0.03785 -0.04031 60 7D+2 -0.01285 -0.05780 0.00770 0.04468 0.03062 61 7D-2 -0.02764 0.01722 0.06041 0.07756 0.00083 62 8D 0 0.01675 -0.00357 0.00055 0.00521 -0.00740 63 8D+1 0.00870 0.01642 0.00697 -0.00893 0.00260 64 8D-1 -0.00950 0.00756 0.00265 0.01416 -0.01228 65 8D+2 -0.00390 -0.01379 0.00377 0.01077 0.00958 66 8D-2 -0.00839 0.00291 0.01642 0.01997 0.00129 67 4 Cu 1S 0.00533 0.00013 -0.00001 0.01496 -0.00007 68 2S 0.07813 0.00268 -0.00027 0.24770 -0.00091 69 3S 0.05759 0.00343 -0.00041 0.39777 -0.00112 70 4PX 0.01483 0.01829 0.00940 0.03623 -0.02503 71 4PY -0.02905 0.00802 0.00705 -0.06212 -0.01781 72 4PZ 0.00335 -0.01183 0.01938 0.00432 -0.04899 73 5PX -0.05076 -0.08653 -0.04489 -0.17319 0.08890 74 5PY 0.09995 -0.03822 -0.03353 0.30401 0.06263 75 5PZ -0.01174 0.05602 -0.09231 -0.02347 0.17355 76 6PX -0.04717 0.01418 0.00898 -0.13565 0.14020 77 6PY 0.08974 0.00957 0.00603 0.22382 0.10031 78 6PZ -0.00925 -0.01055 0.01817 -0.01235 0.27449 79 7D 0 -0.03559 0.00968 -0.04015 0.00299 -0.01824 80 7D+1 0.00493 0.03904 0.02785 -0.00163 -0.01842 81 7D-1 -0.01054 0.04024 -0.01899 0.00239 0.03792 82 7D+2 -0.03518 0.01364 0.02738 0.00547 -0.02125 83 7D-2 -0.05110 -0.01983 0.01561 0.00344 0.01773 84 8D 0 -0.01125 0.00285 -0.01163 0.00037 -0.00332 85 8D+1 0.00156 0.01139 0.00731 -0.00034 -0.00779 86 8D-1 -0.00329 0.01080 -0.00439 0.00070 0.01345 87 8D+2 -0.01110 0.00289 0.00714 0.00118 -0.00865 88 8D-2 -0.01618 -0.00497 0.00478 0.00016 0.00476 89 5 Cu 1S 0.00941 -0.00464 0.00974 -0.00030 -0.00535 90 2S 0.15980 -0.10548 0.21876 0.02142 -0.04581 91 3S 0.08198 -0.09336 0.19845 0.09723 -0.12512 92 4PX -0.00562 0.04398 0.01681 -0.01798 0.03980 93 4PY 0.00077 0.02203 0.01137 0.03182 -0.02245 94 4PZ -0.05069 0.01162 -0.03535 0.01623 0.01042 95 5PX 0.02651 -0.18880 -0.04935 0.07793 -0.15021 96 5PY -0.00597 -0.07728 -0.07394 -0.14262 0.08514 97 5PZ 0.22468 -0.07008 0.18949 -0.07270 -0.04901 98 6PX 0.02354 -0.06839 -0.04419 0.03661 -0.24018 99 6PY -0.02059 -0.05770 0.01950 -0.04965 0.12981 100 6PZ 0.13869 -0.05003 0.12193 -0.04152 -0.04428 101 7D 0 0.06707 0.00979 -0.00015 -0.03235 0.01561 102 7D+1 0.01591 -0.03932 -0.02428 0.01376 -0.02091 103 7D-1 -0.00557 -0.02898 -0.00888 -0.03280 0.00920 104 7D+2 -0.00555 -0.04516 -0.01340 0.00534 0.01550 105 7D-2 -0.01188 0.01814 0.02184 0.00275 0.03165 106 8D 0 0.02126 0.00173 0.00216 -0.00957 0.00433 107 8D+1 0.00532 -0.01099 -0.00719 0.00389 -0.00747 108 8D-1 -0.00244 -0.00883 -0.00121 -0.00921 0.00342 109 8D+2 -0.00147 -0.01303 -0.00413 0.00176 0.00190 110 8D-2 -0.00337 0.00539 0.00621 0.00096 0.00710 111 6 Cu 1S -0.00439 0.00012 0.00002 0.00841 -0.00004 112 2S -0.18251 0.00149 0.00071 0.24071 -0.00103 113 3S 0.18386 -0.00310 -0.00107 0.00744 -0.00057 114 4PX -0.01577 0.01397 0.00810 0.00997 0.00668 115 4PY 0.03110 0.00720 0.00596 -0.02332 0.00501 116 4PZ -0.00340 -0.00948 0.01668 0.00383 0.01327 117 5PX 0.05240 -0.04385 -0.02584 -0.05420 -0.01604 118 5PY -0.10684 -0.02150 -0.01955 0.11926 -0.01159 119 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-0.00141 0.00013 0.00157 -0.00188 24 2S 0.00009 -0.03354 0.00373 -0.06194 -0.07906 25 3S 0.00053 -0.29930 0.03292 -0.70989 -0.80862 26 4PX 0.02732 0.01544 -0.00951 0.00651 0.00038 27 4PY 0.01910 -0.05684 -0.00029 -0.00556 0.02301 28 4PZ 0.04702 0.01221 -0.01478 -0.00166 -0.00960 29 5PX -0.12595 -0.05084 0.04640 0.04465 0.00446 30 5PY -0.08806 0.27099 0.00396 0.06501 -0.06095 31 5PZ -0.21685 -0.07061 0.07859 -0.05172 0.02224 32 6PX -0.41158 -0.18402 0.16339 0.72764 0.39419 33 6PY -0.28666 1.20954 -0.00923 0.29458 -0.32850 34 6PZ -0.70703 -0.34876 0.29759 -0.54073 -0.09847 35 7D 0 -0.02568 -0.01215 0.01124 0.01090 -0.00976 36 7D+1 0.00470 0.00022 -0.01211 0.05202 -0.00601 37 7D-1 0.01126 0.01277 0.00824 0.02076 0.00824 38 7D+2 0.00067 0.00131 -0.01157 -0.02397 0.00813 39 7D-2 0.01544 -0.03110 0.00090 -0.01179 -0.02064 40 8D 0 -0.00108 -0.00121 0.00130 0.00288 -0.00180 41 8D+1 -0.00161 0.00088 -0.00212 0.01474 0.00047 42 8D-1 0.00303 -0.00019 0.00188 0.00523 0.00490 43 8D+2 -0.00207 -0.00227 -0.00171 -0.00749 0.00318 44 8D-2 0.00140 -0.00217 0.00020 -0.00317 -0.00680 45 3 Cu 1S 0.00001 -0.00087 0.00160 -0.00299 0.00118 46 2S 0.00024 -0.01801 0.04233 0.02430 -0.05084 47 3S 0.00188 -0.17136 0.43029 0.87453 -0.49373 48 4PX -0.02577 -0.01755 0.00670 -0.00560 0.00241 49 4PY -0.01372 0.00496 -0.02502 0.00260 -0.00512 50 4PZ 0.00262 -0.00122 0.00203 -0.04619 0.01133 51 5PX 0.12722 0.10495 -0.01911 0.02333 0.01103 52 5PY 0.06774 -0.01068 0.12780 -0.01410 -0.01487 53 5PZ -0.01269 -0.01112 0.02164 0.19214 -0.08139 54 6PX 0.10710 0.00244 -0.24576 -0.04031 -0.02306 55 6PY 0.05797 -0.21601 0.33446 0.06749 -0.13950 56 6PZ -0.01216 0.05314 -0.05361 -0.09961 -0.75678 57 7D 0 -0.00993 -0.01042 0.01193 -0.03858 -0.00426 58 7D+1 0.05798 0.02735 -0.00633 -0.01705 -0.00304 59 7D-1 0.02716 0.00046 0.02928 0.01892 -0.00508 60 7D+2 -0.02627 -0.01280 0.02633 -0.00462 0.03496 61 7D-2 0.02496 -0.01882 0.04383 -0.00262 0.05010 62 8D 0 -0.00256 -0.00355 0.00451 -0.01345 0.00167 63 8D+1 0.01493 0.00730 -0.00175 -0.00514 0.00017 64 8D-1 0.00723 -0.00018 0.00888 0.00472 -0.00211 65 8D+2 -0.00480 -0.00211 0.00613 -0.00017 0.01003 66 8D-2 0.00510 -0.00478 0.00979 0.00089 0.01445 67 4 Cu 1S 0.00000 0.00015 -0.00004 0.00062 -0.00211 68 2S 0.00000 -0.00461 0.00137 -0.07584 0.14168 69 3S 0.00010 -0.05216 0.01212 -0.68114 1.67377 70 4PX 0.00020 0.04026 0.02045 -0.00840 0.00024 71 4PY 0.00012 0.01849 0.01530 0.01382 0.00004 72 4PZ 0.00009 -0.02515 0.04394 -0.00033 -0.00022 73 5PX -0.00080 -0.17262 -0.08566 0.00785 0.05541 74 5PY -0.00048 -0.07281 -0.06548 -0.00728 -0.10046 75 5PZ -0.00036 0.10549 -0.18494 -0.00341 0.00909 76 6PX -0.00144 -0.40038 -0.18729 -0.32863 0.55916 77 6PY -0.00067 -0.13622 -0.15507 0.62243 -0.93951 78 6PZ 0.00072 0.23249 -0.41227 -0.06743 0.06415 79 7D 0 -0.00014 0.00973 -0.03086 0.02464 -0.01681 80 7D+1 0.00019 0.03089 0.00531 -0.00454 0.00479 81 7D-1 0.00003 0.01303 0.00795 0.00616 -0.00153 82 7D+2 0.00005 -0.00971 0.00445 0.02472 -0.01589 83 7D-2 0.00008 0.00476 0.01608 0.03731 -0.02775 84 8D 0 -0.00003 0.00186 -0.00576 0.00866 -0.00765 85 8D+1 0.00005 0.00546 0.00341 -0.00139 0.00151 86 8D-1 0.00000 0.00516 -0.00220 0.00211 -0.00133 87 8D+2 0.00003 0.00184 0.00322 0.00848 -0.00724 88 8D-2 0.00001 -0.00132 0.00213 0.01298 -0.01191 89 5 Cu 1S 0.00000 0.00076 -0.00141 0.00143 -0.00174 90 2S -0.00032 0.01719 -0.03325 -0.06488 -0.07576 91 3S -0.00427 0.11944 -0.26937 -0.73902 -0.75632 92 4PX -0.05078 -0.02381 0.01808 0.00543 -0.01037 93 4PY -0.02706 0.01384 -0.05006 -0.00881 0.02118 94 4PZ 0.00508 0.00543 -0.00841 0.00432 0.00983 95 5PX 0.23441 0.11851 -0.07837 -0.02351 0.03415 96 5PY 0.12494 -0.05988 0.23469 0.05654 -0.06035 97 5PZ -0.02286 -0.03141 0.05804 0.08450 -0.01676 98 6PX 0.76339 0.46936 -0.38333 0.01615 0.30887 99 6PY 0.40960 -0.31122 1.06262 0.13895 -0.47223 100 6PZ -0.07426 -0.15464 0.31053 0.97207 0.26773 101 7D 0 0.00436 0.00463 -0.00865 -0.06074 -0.00111 102 7D+1 -0.02576 -0.01820 0.00709 -0.00976 0.00880 103 7D-1 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-0.22787 123 7D 0 0.00010 -0.00887 0.04120 0.03751 -0.02130 124 7D+1 -0.00006 -0.04379 -0.01809 -0.00434 0.00243 125 7D-1 0.00002 -0.02964 0.00533 0.01108 -0.00729 126 7D+2 -0.00010 0.00255 -0.01849 0.03592 -0.02149 127 7D-2 -0.00002 0.01098 -0.02042 0.05321 -0.02955 128 8D 0 0.00002 -0.00154 0.00705 0.00586 -0.01144 129 8D+1 -0.00001 -0.00763 -0.00186 -0.00055 0.00189 130 8D-1 0.00001 -0.00362 -0.00096 0.00148 -0.00357 131 8D+2 -0.00002 0.00234 -0.00195 0.00542 -0.01160 132 8D-2 -0.00001 0.00064 -0.00393 0.00842 -0.01645 133 7 Cu 1S -0.00001 0.00099 0.00121 0.00145 -0.00174 134 2S 0.00023 0.02295 0.03049 -0.06418 -0.07619 135 3S 0.00375 0.16757 0.25297 -0.73310 -0.76389 136 4PX 0.02323 -0.02747 -0.02776 0.00203 -0.01993 137 4PY 0.00784 0.02249 0.03683 -0.01030 0.01420 138 4PZ -0.05221 0.00613 -0.01740 -0.00106 -0.00670 139 5PX -0.10677 0.13751 0.14055 -0.09398 0.05029 140 5PY -0.03584 -0.09833 -0.16081 0.00284 -0.04777 141 5PZ 0.24120 -0.03261 0.09419 -0.03905 0.01167 142 6PX -0.34699 0.61394 0.69483 -0.77126 0.11043 143 6PY -0.11971 -0.44114 -0.69900 -0.43957 -0.60743 144 6PZ 0.78764 -0.07261 0.40792 -0.40096 -0.07373 145 7D 0 0.02138 0.00156 0.01358 0.02648 -0.01091 146 7D+1 0.02096 0.00188 0.00742 -0.03858 -0.00022 147 7D-1 0.00106 -0.01809 0.00727 -0.02324 0.00163 148 7D+2 -0.01132 0.01795 0.02690 -0.00782 -0.02150 149 7D-2 -0.00512 0.00950 0.00088 -0.03494 0.00052 150 8D 0 0.00104 0.00026 0.00148 0.00726 -0.00133 151 8D+1 0.00209 -0.00014 0.00003 -0.01046 -0.00307 152 8D-1 -0.00316 -0.00239 0.00239 -0.00698 0.00050 153 8D+2 -0.00150 0.00058 0.00136 -0.00142 -0.00795 154 8D-2 0.00107 0.00215 0.00131 -0.01053 0.00050 155 8 Cu 1S 0.00000 0.00163 -0.00012 -0.00311 0.00154 156 2S 0.00006 0.04770 -0.00492 0.02040 -0.03422 157 3S 0.00075 0.50197 -0.05850 0.83190 -0.28659 158 4PX 0.01382 0.00938 -0.00745 -0.03903 0.01372 159 4PY 0.00965 -0.02464 -0.00263 -0.00695 -0.00284 160 4PZ 0.02379 0.00289 -0.01241 0.02537 -0.00671 161 5PX -0.06776 -0.01856 0.04744 0.16136 -0.05660 162 5PY -0.04733 0.13067 0.02156 0.02505 -0.03288 163 5PZ -0.11669 -0.03107 0.08562 -0.10276 0.04578 164 6PX -0.06036 -0.22490 -0.03777 -0.09635 -0.59842 165 6PY -0.04204 0.40462 -0.08012 0.02467 -0.28957 166 6PZ -0.10334 -0.04708 -0.09706 0.04292 0.46531 167 7D 0 0.05830 0.03162 -0.02443 -0.00011 0.03463 168 7D+1 -0.00965 0.01257 0.00788 0.03092 0.02493 169 7D-1 -0.02693 -0.00078 0.00195 -0.00510 0.02685 170 7D+2 -0.00031 0.00810 0.00632 -0.03413 0.02169 171 7D-2 -0.03545 0.05379 0.00587 -0.00408 0.02941 172 8D 0 0.01465 0.00727 -0.00631 0.00119 0.00980 173 8D+1 -0.00344 0.00186 0.00268 0.01146 0.00430 174 8D-1 -0.00535 -0.00208 -0.00002 0.00034 0.00751 175 8D+2 -0.00125 0.00129 0.00233 -0.00983 0.00867 176 8D-2 -0.00848 0.01415 0.00133 -0.00124 0.00912 177 9 C 1S 0.00000 -0.00100 0.00012 -0.00797 0.01681 178 2S 0.00000 0.00286 -0.00045 0.04435 -0.02008 179 3S 0.00000 0.00391 0.00039 -0.03646 -0.13974 180 4PX 0.00078 0.15400 0.07789 -0.01628 -0.00082 181 4PY 0.00042 0.06532 0.05946 0.02506 0.01022 182 4PZ 0.00032 -0.09451 0.16848 0.00051 -0.00370 183 5PX 0.00052 0.11097 0.05567 0.01623 0.05142 184 5PY 0.00025 0.04359 0.04327 -0.03834 -0.09571 185 5PZ 0.00015 -0.06673 0.12074 0.00783 0.00986 186 10 O 1S 0.00000 0.00127 -0.00027 -0.00062 -0.02890 187 2S 0.00000 -0.00357 0.00074 0.00399 0.08659 188 3S -0.00002 -0.00769 0.00156 -0.00423 0.13774 189 4PX -0.00026 -0.04872 -0.02361 0.00469 -0.00449 190 4PY -0.00014 -0.02194 -0.01792 -0.00721 0.01021 191 4PZ -0.00011 0.03059 -0.05141 -0.00013 -0.00189 192 5PX -0.00030 -0.05995 -0.02977 0.00026 0.00738 193 5PY -0.00016 -0.02460 -0.02308 0.00261 -0.01757 194 5PZ -0.00012 0.03653 -0.06468 -0.00186 0.00275 101 102 103 104 105 V V V V V EIGENVALUES -- 0.04219 0.04223 0.04459 0.04469 0.04949 1 1 Cu 1S -0.00086 -0.00136 0.00272 0.00218 -0.00060 2 2S -0.11154 -0.18830 -0.02811 -0.02187 -0.00378 3 3S -1.52053 -2.55784 -0.51774 -0.40216 0.01015 4 4PX 0.00215 0.01685 -0.02105 0.00072 0.00679 5 4PY 0.00479 0.01238 -0.01401 -0.00485 0.00998 6 4PZ 0.01829 -0.00080 0.01194 -0.03065 -0.02288 7 5PX 0.06397 0.02542 0.12671 -0.00537 -0.01795 8 5PY 0.05657 0.06304 0.13926 0.07098 -0.03779 9 5PZ -0.06643 0.08356 -0.06553 0.19130 0.05813 10 6PX -0.07897 -0.27719 1.76680 0.70163 -0.66059 11 6PY 0.30713 0.47225 0.54132 0.17810 -1.01142 12 6PZ -0.19363 0.07968 -0.06913 1.57680 2.54526 13 7D 0 0.01169 -0.01499 -0.01149 0.02393 0.00664 14 7D+1 0.02025 -0.00623 -0.03070 0.01715 0.00361 15 7D-1 0.00015 0.00355 0.00102 -0.03111 -0.00772 16 7D+2 -0.01217 0.00249 0.01311 -0.01630 -0.00456 17 7D-2 -0.00366 0.00334 -0.03036 -0.01734 0.01112 18 8D 0 0.00720 -0.00771 -0.00537 0.00636 -0.00025 19 8D+1 0.00978 -0.00548 -0.00797 0.00681 -0.00084 20 8D-1 -0.00243 -0.00045 0.00199 -0.00745 -0.00236 21 8D+2 -0.00677 0.00129 0.00306 -0.00589 -0.00028 22 8D-2 -0.00487 -0.00414 -0.00623 -0.00326 0.00259 23 2 Cu 1S 0.00067 -0.00001 0.00015 -0.00112 0.00047 24 2S 0.09790 -0.00155 -0.01585 0.10829 -0.01323 25 3S 1.03477 -0.01698 -0.28940 2.00574 -0.36889 26 4PX 0.00557 0.00620 0.00664 -0.02820 0.00488 27 4PY 0.00705 0.00426 0.00054 0.00943 0.03331 28 4PZ -0.00582 0.01092 0.00268 0.01337 -0.00538 29 5PX -0.10782 0.00691 0.00695 0.03183 0.00861 30 5PY -0.01249 0.00410 0.01523 -0.05500 -0.17526 31 5PZ 0.06816 0.00775 0.01715 0.00861 0.00750 32 6PX -0.72467 0.51904 -0.56008 -0.69655 -0.11778 33 6PY -0.18950 0.35777 -0.52739 0.50946 2.51021 34 6PZ 0.51646 0.86234 -1.13270 -0.05149 -0.16179 35 7D 0 0.00447 0.03178 0.00924 -0.01380 0.00119 36 7D+1 -0.01235 -0.04083 0.01953 -0.00486 0.00235 37 7D-1 0.01033 0.03572 -0.03144 -0.00057 0.01732 38 7D+2 0.02209 -0.04213 0.02232 0.00557 0.00693 39 7D-2 0.00175 -0.00468 -0.00897 -0.02666 -0.04086 40 8D 0 -0.00010 0.01016 0.00503 -0.00361 0.00098 41 8D+1 -0.00680 -0.01052 0.00218 -0.00837 0.00245 42 8D-1 0.00295 0.00791 -0.00447 0.00010 0.00388 43 8D+2 0.00866 -0.01059 0.00095 0.00663 0.00035 44 8D-2 -0.00097 -0.00248 -0.00264 -0.00567 -0.00710 45 3 Cu 1S -0.00083 0.00140 -0.00323 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0.00171 66 8D-2 0.00300 0.00706 0.00555 0.00709 0.00477 67 4 Cu 1S 0.00007 -0.00001 0.00001 -0.00003 0.00002 68 2S -0.00695 0.00026 -0.00079 0.00352 -0.00448 69 3S -0.08412 0.00269 -0.01293 0.04970 -0.06347 70 4PX -0.00388 -0.00227 0.00971 0.02221 0.00704 71 4PY -0.00102 -0.00171 0.00778 0.00991 0.00424 72 4PZ 0.00270 -0.00423 0.02393 -0.01221 -0.01056 73 5PX 0.07355 0.04580 -0.03461 -0.07796 -0.04739 74 5PY 0.03595 0.03314 -0.02695 -0.03673 -0.02263 75 5PZ -0.05579 0.08281 -0.08412 0.04340 0.06670 76 6PX 0.33848 0.21788 0.04659 0.13525 1.84076 77 6PY 0.20965 0.15532 0.04073 0.04662 0.76900 78 6PZ -0.27227 0.39469 0.11902 -0.06889 -2.50924 79 7D 0 0.00603 -0.02250 0.03789 -0.00855 -0.00111 80 7D+1 0.01799 0.03446 -0.00227 -0.03857 -0.01173 81 7D-1 0.04476 -0.03456 -0.01280 -0.01363 0.04999 82 7D+2 0.03069 0.03567 -0.00447 0.01661 0.02749 83 7D-2 -0.02898 0.00138 -0.02071 -0.00670 -0.02750 84 8D 0 0.00117 -0.00439 0.00768 -0.00198 0.00005 85 8D+1 0.00312 0.00906 0.00138 -0.00781 -0.00169 86 8D-1 0.01169 -0.01008 -0.00544 -0.00087 0.00777 87 8D+2 0.00933 0.00961 0.00086 0.00589 0.00428 88 8D-2 -0.00788 -0.00064 -0.00458 -0.00350 -0.00404 89 5 Cu 1S -0.00020 0.00054 -0.00100 0.00035 -0.00033 90 2S -0.04366 0.08311 0.10398 -0.04225 0.01070 91 3S -0.44005 0.85798 1.92478 -0.78860 0.32027 92 4PX 0.01141 0.00413 -0.00810 0.00817 -0.01000 93 4PY 0.00207 0.00767 0.01465 -0.00308 -0.03016 94 4PZ -0.00642 0.00836 -0.02589 0.01014 -0.01055 95 5PX 0.01796 -0.01365 0.03599 0.00817 0.04776 96 5PY -0.00132 0.01615 -0.04861 0.03215 0.16286 97 5PZ 0.06004 -0.11051 0.00350 -0.00355 0.02252 98 6PX 0.83463 0.39445 -0.81450 -1.00536 -0.58570 99 6PY 0.46006 0.20868 0.36974 -0.88385 -2.27613 100 6PZ 0.34187 -0.83096 -0.32464 0.26415 -0.38341 101 7D 0 -0.00118 0.01899 -0.00250 0.00071 0.00916 102 7D+1 -0.04340 -0.01254 0.01020 -0.00380 0.01661 103 7D-1 -0.01706 -0.02701 -0.01511 0.01146 0.03900 104 7D+2 -0.04406 -0.01650 0.00506 0.03783 -0.00360 105 7D-2 0.02009 0.01987 -0.02588 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0.01245 0.00471 0.01783 0.00451 0.00655 126 7D+2 -0.00608 0.00533 -0.00125 -0.02064 0.01810 127 7D-2 0.00000 0.01275 0.01770 0.01078 -0.00449 128 8D 0 0.00410 -0.01006 -0.00893 0.00183 -0.00295 129 8D+1 0.01052 0.00213 -0.00074 0.00898 -0.00497 130 8D-1 0.00382 0.00370 0.00498 0.00173 0.00171 131 8D+2 -0.00391 0.00086 -0.00007 -0.00590 0.00372 132 8D-2 0.00157 0.00585 0.00530 0.00258 -0.00088 133 7 Cu 1S -0.00021 -0.00053 0.00086 0.00062 -0.00010 134 2S -0.04720 -0.08167 -0.08757 -0.06920 0.00453 135 3S -0.48198 -0.84879 -1.61983 -1.28955 0.13257 136 4PX 0.01074 0.00618 -0.00983 -0.00525 -0.00561 137 4PY 0.00137 -0.00018 -0.02398 -0.01791 -0.00755 138 4PZ -0.00749 0.01033 -0.00414 -0.00953 0.03059 139 5PX -0.03899 -0.07160 -0.03007 -0.01182 0.03932 140 5PY -0.04197 -0.07572 0.04260 0.03813 0.04806 141 5PZ -0.03412 -0.03714 0.00857 -0.02089 -0.15687 142 6PX 0.02496 -0.79377 0.43381 -0.35785 -0.46877 143 6PY -0.11315 -0.48973 -0.54880 -0.70030 -0.65291 144 6PZ -1.00522 0.18057 -0.82479 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0.13271 0.02671 -0.23735 -0.01700 -0.14955 9 5PZ 0.01045 0.00579 0.12885 -0.34196 0.19333 10 6PX -2.23774 0.31208 0.21449 0.88300 1.62421 11 6PY 2.65453 -0.34850 -1.44534 0.24478 0.74725 12 6PZ 0.09372 0.09306 -0.08186 0.11715 0.98707 13 7D 0 -0.01870 -0.01074 -0.01732 -0.01404 0.00176 14 7D+1 0.01334 -0.01635 0.02235 0.00895 0.00427 15 7D-1 -0.01171 0.00343 0.00455 -0.04841 0.01791 16 7D+2 -0.00216 -0.04317 0.01153 -0.00395 0.01211 17 7D-2 -0.03211 -0.01141 -0.00851 0.01777 -0.01641 18 8D 0 -0.00436 -0.00501 -0.00207 -0.00051 -0.00145 19 8D+1 0.00301 -0.00240 0.00233 0.00306 -0.00070 20 8D-1 -0.00207 0.00082 -0.00002 -0.00803 0.00185 21 8D+2 0.00008 -0.01119 0.00182 -0.00225 0.00118 22 8D-2 -0.00541 -0.00433 -0.00209 0.00094 -0.00520 23 2 Cu 1S -0.00014 -0.00071 0.00132 0.00220 0.00022 24 2S 0.00419 -0.01203 -0.02152 -0.03438 -0.00329 25 3S 0.11476 -0.76510 -0.90326 -1.25807 -0.11910 26 4PX 0.01411 -0.00296 0.02309 0.07281 0.01839 27 4PY 0.00116 -0.00941 -0.02975 0.01076 0.00925 28 4PZ 0.02861 0.00575 -0.00085 -0.04964 0.01390 29 5PX -0.08606 0.05935 -0.05761 -0.33931 -0.07446 30 5PY -0.00682 0.06796 0.15641 -0.04185 -0.03440 31 5PZ -0.14630 -0.06310 -0.03220 0.22475 -0.04493 32 6PX 1.15017 0.46733 -0.00747 0.88793 -0.37536 33 6PY 0.03769 -0.82386 0.94058 -0.42093 -0.38231 34 6PZ 1.96960 0.06315 -0.39116 -0.21976 -0.82349 35 7D 0 0.04179 -0.00980 -0.02337 0.00504 -0.02298 36 7D+1 -0.01205 -0.01727 -0.00844 0.00489 0.00313 37 7D-1 -0.01825 -0.03974 -0.01107 -0.00494 0.01280 38 7D+2 -0.00733 -0.02676 -0.01608 -0.00657 -0.00203 39 7D-2 -0.01177 0.01903 -0.02693 0.00420 0.01579 40 8D 0 0.00721 -0.00016 -0.00442 0.00237 -0.00125 41 8D+1 -0.00293 -0.00427 0.00023 0.00761 -0.00303 42 8D-1 -0.00325 -0.00587 -0.00552 0.00107 0.00671 43 8D+2 -0.00121 -0.00161 -0.00819 -0.00346 -0.00500 44 8D-2 -0.00209 0.00539 -0.00299 0.00013 0.00268 45 3 Cu 1S -0.00164 0.00082 -0.00151 0.00256 -0.00371 46 2S -0.01487 0.09400 0.02409 -0.00558 0.01269 47 3S -0.01917 1.08913 0.55015 -0.54910 0.85081 48 4PX -0.02774 0.00352 -0.01725 -0.05457 -0.01743 49 4PY 0.01274 -0.00491 0.04539 -0.00365 -0.03888 50 4PZ 0.00002 0.00558 0.02631 -0.00838 0.02409 51 5PX 0.09187 -0.01441 0.13771 0.37448 0.16054 52 5PY -0.06644 0.01921 -0.34236 0.04745 0.25311 53 5PZ 0.01576 -0.01101 -0.13605 -0.06146 -0.00028 54 6PX 2.89074 0.22018 0.65186 0.29751 0.15515 55 6PY -1.20258 -0.42519 -1.15850 -0.23889 0.45682 56 6PZ -0.33577 -0.06628 0.68485 -1.23881 1.75758 57 7D 0 0.01072 -0.02186 0.01418 0.00505 0.00298 58 7D+1 0.00347 0.01679 -0.00239 -0.02473 -0.01096 59 7D-1 -0.00861 -0.03584 0.01737 -0.00778 -0.02063 60 7D+2 0.02320 -0.00689 -0.01152 -0.03791 -0.02089 61 7D-2 0.01492 -0.01732 -0.01908 0.01574 0.01851 62 8D 0 0.00104 -0.00513 0.00077 -0.00140 0.00251 63 8D+1 0.00218 0.00419 -0.00089 -0.00192 -0.00002 64 8D-1 -0.00105 -0.00841 0.00261 -0.00033 -0.00237 65 8D+2 0.00445 -0.00363 -0.00143 -0.00760 -0.00291 66 8D-2 0.00327 -0.00698 -0.00250 0.00226 0.00509 67 4 Cu 1S -0.00002 -0.00126 -0.00185 -0.00019 0.00001 68 2S 0.00117 -0.05402 0.09591 0.00532 -0.00022 69 3S 0.01730 -0.40856 2.31645 0.15873 -0.00871 70 4PX -0.00880 -0.00664 0.03890 0.02201 0.01524 71 4PY -0.00585 0.01123 -0.07516 0.00339 0.01033 72 4PZ -0.00834 -0.00061 0.00845 -0.01772 0.02105 73 5PX 0.05637 -0.00535 -0.15071 -0.08100 -0.05544 74 5PY 0.03600 0.01399 0.28803 -0.01025 -0.03726 75 5PZ 0.05259 -0.00308 -0.03137 0.06402 -0.07634 76 6PX -2.13186 -0.64463 0.10817 -0.20091 -0.15313 77 6PY -1.34468 1.31066 -0.04142 -0.05843 -0.10615 78 6PZ -1.98032 -0.17347 -0.06333 0.17630 -0.21321 79 7D 0 0.00258 0.02272 0.00508 0.01124 -0.02123 80 7D+1 -0.02909 -0.00312 -0.00227 0.02234 0.00729 81 7D-1 0.02952 0.00700 0.00210 0.00680 0.00921 82 7D+2 -0.04548 0.02253 0.00687 -0.00953 0.00035 83 7D-2 0.02006 0.03267 0.00768 0.00149 0.01307 84 8D 0 0.00048 0.00643 -0.00544 0.00284 -0.00699 85 8D+1 -0.00459 -0.00089 0.00031 0.00643 0.00578 86 8D-1 0.00453 0.00177 -0.00175 0.00695 -0.00142 87 8D+2 -0.00707 0.00628 -0.00506 0.00046 0.00462 88 8D-2 0.00298 0.00940 -0.00753 -0.00383 0.00253 89 5 Cu 1S -0.00034 -0.00088 0.00140 -0.00117 0.00172 90 2S 0.00843 -0.01369 -0.02806 0.01560 -0.02540 91 3S 0.25652 -0.78464 -1.06020 0.59899 -0.94401 92 4PX 0.02914 0.00304 0.01758 0.01106 0.02146 93 4PY -0.00809 -0.00847 -0.03357 0.00940 0.00168 94 4PZ -0.01338 -0.00730 0.02044 -0.05138 0.06905 95 5PX -0.15999 -0.01390 -0.07870 -0.03153 -0.09105 96 5PY 0.04711 0.05044 0.16036 -0.03907 0.00535 97 5PZ 0.04397 0.09792 -0.03057 0.24267 -0.32413 98 6PX 2.17520 0.45640 -0.30747 -0.96640 -0.16618 99 6PY -0.72533 -0.79942 0.78955 0.08686 -0.81772 100 6PZ -0.62245 0.10736 0.53876 -0.26945 0.57753 101 7D 0 0.01825 0.01806 -0.00764 -0.00091 -0.00545 102 7D+1 -0.04139 -0.01597 0.00306 0.02218 0.00887 103 7D-1 0.00924 0.04103 -0.00353 0.00335 0.01312 104 7D+2 0.01101 -0.01842 -0.02097 -0.01356 -0.00590 105 7D-2 -0.00059 -0.01944 -0.03297 0.00405 0.01082 106 8D 0 0.00466 0.00574 -0.00438 0.00412 -0.00589 107 8D+1 -0.00704 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4PX 0.00858 0.01446 -0.01510 -0.00001 0.00020 71 4PY 0.00613 0.00856 0.02725 0.00001 0.00003 72 4PZ 0.01676 -0.01053 -0.00239 0.00005 -0.00022 73 5PX -0.03923 -0.06500 0.10211 -0.00042 -0.00979 74 5PY -0.02772 -0.04091 -0.18677 -0.00046 -0.00527 75 5PZ -0.07633 0.04819 0.01728 -0.00111 0.01033 76 6PX -0.77727 -1.44491 -0.40526 0.10705 1.86648 77 6PY -0.57739 -0.59732 0.89434 0.07312 0.79223 78 6PZ -1.54569 0.96018 -0.12688 0.15873 -1.79128 79 7D 0 -0.00540 0.00330 0.02859 -0.00198 0.01159 80 7D+1 -0.00174 0.00584 -0.00447 0.00152 0.02183 81 7D-1 0.00584 -0.00089 0.00769 -0.00047 0.02497 82 7D+2 -0.00245 -0.00482 0.02826 0.00131 0.00315 83 7D-2 0.00379 0.00557 0.04211 0.00077 -0.01196 84 8D 0 -0.00051 0.00033 0.00536 -0.00009 0.00063 85 8D+1 0.00119 0.00040 -0.00079 0.00002 0.00121 86 8D-1 -0.00146 0.00156 0.00140 0.00004 0.00012 87 8D+2 0.00122 0.00151 0.00518 0.00000 -0.00067 88 8D-2 -0.00012 -0.00074 0.00791 0.00007 0.00022 89 5 Cu 1S 0.00107 -0.00049 0.00235 -0.00009 0.00097 90 2S -0.05800 0.02920 0.02059 -0.00235 0.02024 91 3S -1.76712 0.88418 0.18995 -0.04946 0.36878 92 4PX 0.00255 0.00535 -0.00288 -0.01453 -0.00201 93 4PY -0.00095 0.00396 0.00213 -0.00787 0.00105 94 4PZ -0.01424 0.00568 -0.01407 0.00059 0.00771 95 5PX -0.02344 -0.01323 0.01067 0.10743 0.01619 96 5PY 0.03898 -0.03308 -0.00743 0.05748 0.00108 97 5PZ 0.09959 -0.04405 0.05094 -0.00728 -0.03304 98 6PX -1.42776 -1.69153 -0.75205 -3.05288 -1.77301 99 6PY 0.12469 -1.25863 1.45917 -1.89833 1.71714 100 6PZ -1.29492 0.86899 -0.81067 0.22110 0.88130 101 7D 0 0.03435 -0.01985 -0.00886 -0.00038 -0.01116 102 7D+1 0.01718 0.00715 0.00074 0.00764 0.00040 103 7D-1 -0.00578 0.00991 -0.00458 0.00858 -0.00918 104 7D+2 -0.00364 -0.00753 -0.00166 0.02862 0.01409 105 7D-2 0.00147 0.00685 -0.00372 -0.01992 0.00503 106 8D 0 0.00525 -0.00272 -0.00478 0.00012 -0.00126 107 8D+1 0.00157 -0.00035 -0.00028 0.00014 -0.00134 108 8D-1 -0.00093 0.00053 -0.00115 0.00019 -0.00026 109 8D+2 -0.00035 -0.00124 0.00042 0.00140 0.00179 110 8D-2 0.00042 0.00078 0.00049 -0.00111 0.00036 111 6 Cu 1S -0.00002 0.00000 -0.00575 0.00000 -0.00030 112 2S 0.00032 -0.00282 -0.05309 -0.00002 -0.00096 113 3S 0.00256 -0.05461 -1.47794 -0.00046 -0.02677 114 4PX 0.00840 0.01430 0.00390 0.00074 0.01324 115 4PY 0.00595 0.00743 -0.00884 0.00049 0.00446 116 4PZ 0.01629 -0.01002 0.00134 0.00114 -0.01211 117 5PX -0.05349 -0.09191 -0.11678 -0.00378 -0.06925 118 5PY -0.03751 -0.04400 0.23278 -0.00227 -0.01230 119 5PZ -0.10387 0.06321 -0.02855 -0.00568 0.05765 120 6PX 2.04737 3.73225 0.77354 -0.32590 -5.61629 121 6PY 1.50248 1.67788 -1.72605 -0.22372 -2.50299 122 6PZ 4.05211 -2.52593 0.24643 -0.48357 5.45169 123 7D 0 0.01244 -0.00221 0.00937 0.00014 -0.00003 124 7D+1 -0.01555 -0.00994 -0.00099 -0.00042 -0.00068 125 7D-1 0.01561 -0.01931 0.00349 0.00056 -0.00755 126 7D+2 -0.01574 -0.01291 0.00997 -0.00051 -0.00462 127 7D-2 -0.00231 0.01318 0.01280 0.00013 0.00544 128 8D 0 0.00361 -0.00065 0.00789 0.00009 -0.00005 129 8D+1 -0.00367 -0.00328 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-0.89561 2.55127 0.14902 13 7D 0 -0.00381 -0.01850 -0.04501 0.03896 -0.02898 14 7D+1 -0.01513 0.02177 0.00497 0.04519 0.02241 15 7D-1 -0.00811 -0.00837 0.00943 -0.01519 -0.00888 16 7D+2 -0.02835 -0.02785 -0.03072 -0.02748 0.00791 17 7D-2 -0.00151 -0.01934 -0.02902 -0.00352 -0.03681 18 8D 0 -0.00119 -0.00456 -0.01377 0.01292 -0.00705 19 8D+1 0.00070 0.00666 0.00125 0.01412 0.00516 20 8D-1 -0.00085 -0.00140 0.00173 -0.00255 -0.00229 21 8D+2 -0.00145 -0.00826 -0.00865 -0.00832 0.00205 22 8D-2 0.00016 -0.00654 -0.00873 -0.00215 -0.00926 23 2 Cu 1S -0.00018 -0.00104 -0.00006 -0.00003 0.00536 24 2S -0.00341 0.02208 -0.00230 0.00022 0.07944 25 3S -0.05829 0.58751 -0.03629 0.00919 0.78835 26 4PX -0.00268 0.01763 -0.01151 -0.03781 0.01094 27 4PY -0.00190 -0.09180 -0.00423 -0.02807 -0.03135 28 4PZ -0.00184 0.02787 -0.01958 -0.06499 0.00588 29 5PX 0.01772 -0.13683 0.08870 0.29434 -0.05489 30 5PY 0.01284 0.73505 0.03138 0.21881 0.28310 31 5PZ 0.01910 -0.22560 0.15231 0.50621 -0.07924 32 6PX -0.52977 0.21644 -0.42580 -0.14217 0.09044 33 6PY -0.87943 -0.39679 -0.24853 -0.11203 -1.49347 34 6PZ -0.87073 0.00330 -0.72926 -0.24957 0.53654 35 7D 0 0.00180 -0.00496 0.00187 -0.00424 0.00136 36 7D+1 0.00265 0.00245 0.00094 0.00586 0.02878 37 7D-1 -0.01128 -0.01671 -0.00290 -0.00560 -0.00507 38 7D+2 0.00506 -0.02120 0.00349 0.00567 -0.03134 39 7D-2 -0.00343 0.00385 -0.00196 0.00044 -0.00184 40 8D 0 0.00107 0.00024 -0.00039 -0.00396 -0.00002 41 8D+1 -0.00004 -0.00060 0.00010 0.00395 0.00691 42 8D-1 -0.00134 -0.00423 0.00010 -0.00293 0.00000 43 8D+2 0.00055 -0.00346 0.00041 0.00381 -0.00661 44 8D-2 -0.00104 0.00374 0.00010 0.00109 -0.00186 45 3 Cu 1S 0.00059 0.00019 0.00003 0.00000 0.00163 46 2S 0.00985 -0.00106 -0.00321 -0.00008 -0.02342 47 3S 0.28096 -0.08494 -0.02473 -0.00125 -0.91616 48 4PX 0.00457 -0.02610 0.00652 0.03504 -0.02003 49 4PY 0.00017 0.01099 -0.03474 0.01831 0.03037 50 4PZ -0.00600 -0.00030 -0.00488 -0.00362 -0.05317 51 5PX -0.03081 0.16584 -0.02758 -0.23678 0.12496 52 5PY -0.04195 -0.05725 0.20577 -0.12395 -0.18196 53 5PZ 0.00794 -0.00906 0.05229 0.02479 0.35615 54 6PX -1.22680 -1.50410 -0.93850 2.44391 -0.69248 55 6PY 6.31295 -0.71891 -0.18885 1.30639 1.31519 56 6PZ 1.46939 0.06010 0.06479 -0.24801 -1.08176 57 7D 0 0.01344 -0.00774 0.00966 0.00747 -0.00731 58 7D+1 0.00050 0.01498 -0.00764 -0.04408 -0.01108 59 7D-1 0.02730 -0.00328 0.01823 -0.01839 0.02431 60 7D+2 0.01091 -0.03445 0.02427 0.03605 -0.02553 61 7D-2 -0.00134 -0.01900 0.05723 -0.02912 -0.03505 62 8D 0 -0.00022 -0.00276 0.00316 0.00260 -0.00215 63 8D+1 0.00021 0.00568 -0.00124 -0.01513 -0.00290 64 8D-1 0.00120 -0.00016 0.00535 -0.00667 0.00595 65 8D+2 0.00210 -0.00937 0.00765 0.00961 -0.00604 66 8D-2 0.00014 -0.00589 0.01678 -0.00815 -0.00850 67 4 Cu 1S 0.00000 -0.00015 0.00003 0.00000 -0.00186 68 2S -0.00021 -0.00051 0.00012 0.00000 -0.00546 69 3S -0.00516 -0.01205 -0.00028 -0.00026 0.06134 70 4PX -0.00003 0.05906 0.03354 0.00139 0.01629 71 4PY -0.00007 0.02250 0.02527 0.00071 -0.04177 72 4PZ -0.00005 -0.04074 0.06255 0.00040 0.00947 73 5PX -0.00726 -0.43749 -0.25108 -0.01041 -0.09653 74 5PY -0.00452 -0.17202 -0.18745 -0.00539 0.26859 75 5PZ -0.00964 0.30385 -0.46715 -0.00298 -0.06817 76 6PX 1.49525 1.62574 0.93682 0.04125 0.51855 77 6PY 0.99365 0.57087 0.71536 0.02134 -1.38916 78 6PZ 1.98974 -1.09445 1.74302 0.01821 0.33213 79 7D 0 -0.02422 0.00133 -0.00173 -0.00003 0.01696 80 7D+1 0.02041 0.00013 0.00819 0.00008 -0.00221 81 7D-1 -0.00467 0.01060 -0.01092 0.00003 0.00339 82 7D+2 0.01633 0.01151 0.00853 0.00028 0.01563 83 7D-2 0.00847 -0.00611 -0.00268 -0.00010 0.02548 84 8D 0 -0.00109 0.00037 -0.00070 -0.00002 0.00396 85 8D+1 0.00018 0.00017 0.00321 0.00003 -0.00040 86 8D-1 0.00074 0.00420 -0.00425 0.00000 0.00077 87 8D+2 -0.00025 0.00436 0.00340 0.00011 0.00353 88 8D-2 0.00078 -0.00270 -0.00095 -0.00004 0.00589 89 5 Cu 1S -0.00121 0.00122 -0.00159 0.00001 0.00455 90 2S -0.02474 0.00314 0.00875 0.00022 0.07942 91 3S -0.44377 -0.15194 0.43095 0.00266 0.93772 92 4PX 0.00012 -0.03697 0.02390 0.07024 0.02487 93 4PY -0.00219 0.02414 -0.07672 0.03633 -0.04483 94 4PZ -0.01007 0.01361 -0.02211 -0.00714 -0.01027 95 5PX 0.00187 0.28905 -0.19228 -0.54728 -0.20473 96 5PY 0.00865 -0.19009 0.60836 -0.28296 0.37852 97 5PZ 0.04072 -0.09964 0.17253 0.05595 0.12819 98 6PX 1.10042 -0.66069 -0.26699 0.23692 0.76772 99 6PY -2.97871 -0.41705 -0.38511 0.12900 -1.45107 100 6PZ -1.07282 -0.05281 0.16381 -0.02142 -0.62692 101 7D 0 0.01422 -0.00305 -0.00073 0.00106 -0.03659 102 7D+1 -0.00425 0.00168 -0.00741 -0.00592 -0.01598 103 7D-1 0.01197 -0.00592 0.01543 -0.00369 0.02074 104 7D+2 -0.00716 0.00710 -0.00592 -0.00694 -0.00672 105 7D-2 -0.01452 0.00189 -0.01054 0.00383 -0.00401 106 8D 0 0.00162 -0.00211 0.00216 0.00091 -0.00863 107 8D+1 -0.00011 0.00149 -0.00179 -0.00505 -0.00306 108 8D-1 -0.00049 -0.00213 0.00505 -0.00304 0.00328 109 8D+2 -0.00036 0.00054 -0.00074 -0.00395 -0.00133 110 8D-2 -0.00205 0.00009 -0.00048 0.00205 -0.00109 111 6 Cu 1S 0.00001 -0.00064 0.00011 -0.00001 -0.00488 112 2S 0.00009 -0.01511 0.00333 -0.00021 -0.12705 113 3S 0.00618 0.02763 0.00603 0.00039 -0.34224 114 4PX 0.01013 0.04115 0.02287 0.00099 0.01371 115 4PY 0.00671 0.01354 0.01755 0.00048 -0.03400 116 4PZ 0.01339 -0.02749 0.04273 0.00027 0.00719 117 5PX -0.04827 -0.22018 -0.12318 -0.00555 -0.10446 118 5PY -0.03280 -0.07795 -0.09530 -0.00289 0.23486 119 5PZ -0.06403 0.14961 -0.23123 -0.00134 -0.04169 120 6PX -4.58083 1.05538 0.67593 0.02511 -0.80081 121 6PY -3.05650 0.76550 0.43054 0.01883 1.63538 122 6PZ -6.09809 -0.86838 1.21363 0.01719 -0.20116 123 7D 0 0.00082 -0.01058 0.04693 0.00070 0.06454 124 7D+1 -0.00519 -0.05098 -0.01149 -0.00108 -0.00446 125 7D-1 0.00556 -0.01749 -0.01472 -0.00061 0.02104 126 7D+2 -0.00640 0.02501 -0.00813 0.00025 0.06031 127 7D-2 0.00205 0.00574 -0.02919 -0.00042 0.08825 128 8D 0 0.00101 -0.00246 0.01204 0.00021 0.02212 129 8D+1 -0.00317 -0.01325 -0.00232 -0.00029 -0.00199 130 8D-1 0.00312 -0.00372 -0.00473 -0.00016 0.00683 131 8D+2 -0.00380 0.00752 -0.00153 0.00009 0.02084 132 8D-2 0.00086 0.00137 -0.00794 -0.00013 0.03087 133 7 Cu 1S 0.00140 0.00130 0.00132 0.00004 0.00467 134 2S 0.02802 0.00247 -0.01221 -0.00008 0.07927 135 3S 0.49641 -0.17880 -0.45979 -0.00902 0.91327 136 4PX -0.01010 -0.04091 -0.05328 -0.03395 0.03331 137 4PY -0.00440 0.02672 0.05492 -0.00927 -0.03487 138 4PZ -0.00472 0.00709 -0.03138 0.07193 0.00718 139 5PX 0.04035 0.31565 0.42408 0.26458 -0.31185 140 5PY 0.01893 -0.21406 -0.43734 0.07200 0.27062 141 5PZ 0.01865 -0.05683 0.24656 -0.56047 -0.07907 142 6PX -2.83296 -0.17607 0.10556 -0.11427 1.36209 143 6PY 2.35636 -0.06843 0.34748 -0.03633 -1.00550 144 6PZ -1.05455 0.72108 -0.41893 0.26337 0.38633 145 7D 0 0.01686 0.00348 0.00701 0.00317 0.00744 146 7D+1 -0.01954 -0.00873 -0.00796 -0.00030 -0.00776 147 7D-1 -0.00298 0.00362 0.00353 0.00934 -0.02150 148 7D+2 -0.01128 -0.00385 -0.01208 0.00079 0.01083 149 7D-2 0.00278 0.00272 0.01413 -0.00412 -0.03665 150 8D 0 0.00235 0.00084 0.00038 0.00303 0.00148 151 8D+1 -0.00122 -0.00198 -0.00310 0.00097 -0.00258 152 8D-1 -0.00102 0.00025 0.00051 0.00602 -0.00454 153 8D+2 0.00037 -0.00295 -0.00460 -0.00004 0.00109 154 8D-2 -0.00033 -0.00047 0.00118 -0.00307 -0.00814 155 8 Cu 1S 0.00009 0.00031 -0.00003 0.00001 0.00144 156 2S 0.00154 -0.00649 0.00081 -0.00007 -0.02249 157 3S 0.04164 -0.14321 0.02437 -0.00289 -0.87306 158 4PX 0.00149 0.00338 -0.00789 -0.01913 -0.05715 159 4PY 0.00094 -0.03391 -0.00575 -0.01397 0.02362 160 4PZ 0.00388 0.01184 -0.01633 -0.03284 0.02309 161 5PX -0.02953 0.00743 0.05232 0.12976 0.36808 162 5PY -0.02502 0.20561 0.03890 0.09416 -0.12774 163 5PZ -0.05305 -0.08763 0.10962 0.22212 -0.15882 164 6PX 1.96861 -0.30668 -0.81214 -1.35833 -1.34607 165 6PY 2.39003 0.30120 -0.62329 -0.94898 0.76805 166 6PZ 3.43286 0.03039 -1.47643 -2.33072 0.43039 167 7D 0 -0.01676 0.03871 -0.01204 -0.04692 -0.02852 168 7D+1 0.01672 0.01646 -0.00462 -0.00049 -0.00831 169 7D-1 -0.01534 0.00728 0.01421 0.03430 -0.03143 170 7D+2 0.01679 0.01330 -0.00675 -0.00954 -0.03861 171 7D-2 0.00764 0.05249 0.00811 0.03334 -0.01949 172 8D 0 -0.00125 0.01153 -0.00474 -0.01568 -0.00710 173 8D+1 0.00176 0.00446 -0.00043 0.00125 -0.00187 174 8D-1 -0.00140 0.00252 0.00364 0.00943 -0.00787 175 8D+2 0.00166 0.00478 -0.00117 -0.00153 -0.00982 176 8D-2 0.00040 0.01550 0.00279 0.01050 -0.00479 177 9 C 1S -0.00006 -0.00413 0.00091 -0.00006 -0.04406 178 2S 0.00020 0.00809 -0.00189 0.00012 0.09733 179 3S 0.00023 0.05655 -0.01193 0.00072 0.53496 180 4PX 0.05853 0.09003 0.05867 0.00228 -0.05192 181 4PY 0.03862 0.04574 0.04029 0.00132 0.06742 182 4PZ 0.07760 -0.06676 0.10706 0.00061 0.00546 183 5PX 0.07113 0.03879 0.02092 0.00099 -0.02261 184 5PY 0.04667 -0.00294 0.01569 0.00018 0.02180 185 5PZ 0.09378 -0.02010 0.03906 0.00004 0.00495 186 10 O 1S 0.00004 0.00005 -0.00003 0.00001 0.00533 187 2S -0.00012 0.00080 0.00006 0.00000 -0.01582 188 3S -0.00027 -0.01026 0.00107 -0.00018 -0.05492 189 4PX 0.00928 -0.06883 -0.04449 -0.00170 0.04045 190 4PY 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-0.03259 0.03844 0.05511 15 7D-1 0.00649 -0.01245 0.06009 0.01558 0.03006 16 7D+2 -0.00568 0.00004 0.02445 -0.02009 -0.00358 17 7D-2 -0.00267 0.00794 0.02453 0.07650 0.02712 18 8D 0 0.00174 -0.00256 -0.01077 0.00256 -0.01889 19 8D+1 0.00244 -0.00252 -0.00915 0.01226 0.01589 20 8D-1 -0.00129 0.00062 0.01320 0.00576 0.01180 21 8D+2 0.00101 0.00292 0.00743 -0.00412 -0.00966 22 8D-2 -0.00094 -0.00040 0.00830 0.01971 0.00985 23 2 Cu 1S 0.00001 0.00068 -0.00855 -0.00054 -0.00374 24 2S 0.00007 0.01224 -0.03462 -0.00225 0.00302 25 3S 0.00176 0.17156 -0.07493 -0.00375 0.46545 26 4PX 0.02073 0.00381 -0.00909 -0.04270 0.03952 27 4PY 0.01471 -0.01465 -0.02820 -0.03141 -0.05810 28 4PZ 0.03566 0.00375 0.02373 -0.07098 0.00062 29 5PX -0.17795 -0.01673 0.13446 0.47028 -0.71536 30 5PY -0.12616 0.13257 0.32685 0.34481 0.88682 31 5PZ -0.30594 -0.04428 -0.28776 0.77659 0.05540 32 6PX -2.00675 -0.83464 -0.24846 -0.83587 0.33571 33 6PY -1.40748 4.18452 -0.24888 -0.58893 -0.75238 34 6PZ -3.45540 -1.22383 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-3.36532 -0.02409 0.34095 -0.22467 55 6PY 4.37133 -6.10376 0.08585 0.03216 0.36765 56 6PZ 1.94003 -0.43480 -1.48900 2.20553 -0.46060 57 7D 0 0.00667 -0.00016 0.04748 -0.06390 0.06911 58 7D+1 -0.01075 -0.01533 -0.00703 -0.03664 0.01700 59 7D-1 0.00036 -0.01234 -0.02110 0.02035 0.00071 60 7D+2 -0.00684 -0.00331 0.05990 0.01994 -0.02525 61 7D-2 -0.00382 0.00402 -0.02680 -0.03982 -0.03827 62 8D 0 0.00034 0.00041 0.01408 -0.01795 0.02165 63 8D+1 -0.00056 -0.00360 -0.00514 -0.01137 0.00967 64 8D-1 -0.00287 0.00001 -0.00657 0.00292 -0.00771 65 8D+2 0.00159 0.00225 0.01422 0.00473 -0.00926 66 8D-2 -0.00124 -0.00200 -0.00683 -0.00980 -0.01515 67 4 Cu 1S 0.00000 0.00000 -0.00003 0.00000 -0.01250 68 2S -0.00017 -0.00003 -0.00009 -0.00005 -0.01889 69 3S -0.00400 0.00247 -0.00106 -0.00101 0.94087 70 4PX -0.02269 -0.03504 -0.06891 -0.05024 -0.00679 71 4PY -0.01596 -0.01637 -0.03128 -0.03426 0.01321 72 4PZ -0.03893 0.02702 0.06035 -0.07497 -0.00155 73 5PX 0.18127 0.27986 0.71198 0.51928 0.09517 74 5PY 0.12737 0.13050 0.32331 0.35408 -0.18279 75 5PZ 0.31081 -0.21556 -0.62352 0.77471 0.02089 76 6PX 2.09442 3.30564 -0.96792 -0.70858 0.18407 77 6PY 1.47389 1.52777 -0.44001 -0.48214 -0.30541 78 6PZ 3.61106 -2.54994 0.84819 -1.05749 0.01320 79 7D 0 0.01894 -0.00566 0.00861 -0.02294 -0.00664 80 7D+1 -0.02085 -0.01676 0.01910 0.02663 0.00048 81 7D-1 0.01628 -0.02761 0.03458 -0.01741 -0.00189 82 7D+2 -0.02066 -0.01352 0.01446 0.02600 -0.00599 83 7D-2 -0.00429 0.01626 -0.01966 0.00408 -0.00923 84 8D 0 0.00133 0.00008 0.00083 -0.00223 0.00059 85 8D+1 -0.00689 -0.00020 0.00181 0.00294 -0.00020 86 8D-1 0.00885 -0.00883 0.00386 -0.00214 0.00011 87 8D+2 -0.00776 -0.00814 0.00187 0.00295 0.00067 88 8D-2 0.00195 0.00693 -0.00225 0.00022 0.00099 89 5 Cu 1S 0.00059 -0.00034 0.00473 -0.00724 -0.00355 90 2S 0.01047 -0.00601 0.01931 -0.02938 0.00671 91 3S 0.14899 -0.08691 0.03416 -0.06043 0.45397 92 4PX 0.02495 0.02997 -0.07025 -0.03539 0.03268 93 4PY -0.00133 0.02450 -0.02161 -0.04252 -0.05773 94 4PZ -0.00462 -0.00174 0.02211 -0.01935 0.01603 95 5PX -0.21331 -0.25810 0.76963 0.38860 -0.52540 96 5PY 0.01328 -0.21180 0.23379 0.47365 0.91347 97 5PZ 0.05742 0.00459 -0.26809 0.25294 -0.35561 98 6PX -3.51033 -2.28771 -1.29947 -0.79682 0.36702 99 6PY 2.31215 -3.63480 -0.57604 -0.61717 -0.67200 100 6PZ 1.19233 -0.25627 0.39400 -0.31686 0.00166 101 7D 0 0.00747 -0.00180 0.02110 -0.02438 0.03500 102 7D+1 -0.01457 -0.00509 -0.01601 -0.01501 0.03507 103 7D-1 0.01758 -0.01970 -0.01069 -0.01437 -0.06080 104 7D+2 -0.01977 -0.01006 -0.03973 -0.01838 0.02448 105 7D-2 -0.00611 0.01626 0.01690 0.02267 0.02500 106 8D 0 0.00310 -0.00020 0.00504 -0.00621 0.01056 107 8D+1 -0.00678 -0.00496 -0.00305 -0.00311 0.00987 108 8D-1 0.00385 -0.00748 -0.00174 -0.00285 -0.01632 109 8D+2 -0.00215 -0.00417 -0.00489 -0.00135 0.00474 110 8D-2 0.00241 0.00117 0.00104 0.00348 0.00351 111 6 Cu 1S -0.00001 0.00002 -0.00003 0.00005 0.00213 112 2S 0.00005 -0.00128 -0.00059 0.00056 0.13828 113 3S -0.00104 0.00134 0.02514 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1S -0.00060 -0.00035 0.00375 0.00778 -0.00363 134 2S -0.01040 -0.00603 0.01533 0.03146 0.00582 135 3S -0.14729 -0.08810 0.02575 0.06730 0.44520 136 4PX -0.01771 0.01018 -0.04734 -0.01494 0.02456 137 4PY 0.00638 0.01047 -0.00808 0.01040 -0.06419 138 4PZ 0.01701 -0.03579 0.06553 -0.04880 0.00098 139 5PX 0.16554 -0.07960 0.53453 0.19995 -0.31327 140 5PY -0.04643 -0.08518 0.09830 -0.09586 1.07429 141 5PZ -0.13863 0.31192 -0.71047 0.55443 0.02493 142 6PX 3.58842 0.08982 -0.82772 -0.10506 0.42437 143 6PY -2.26282 -1.96971 -0.26052 0.02206 -0.65273 144 6PZ -1.06512 3.82921 1.31267 -0.89233 0.08227 145 7D 0 0.01311 0.00145 -0.01421 -0.01079 0.00953 146 7D+1 -0.01855 -0.00812 0.01775 0.01697 -0.01826 147 7D-1 0.01522 -0.01770 -0.04058 0.03307 0.03254 148 7D+2 -0.01491 -0.01300 -0.00654 0.01100 -0.04271 149 7D-2 0.00593 0.01529 0.02670 0.00349 0.06469 150 8D 0 0.00166 -0.00466 -0.00377 -0.00253 -0.00046 151 8D+1 -0.00172 -0.00364 0.00222 0.00518 -0.00295 152 8D-1 0.00491 -0.00623 -0.00456 0.00554 0.00950 153 8D+2 -0.00683 -0.00349 -0.00001 0.00190 -0.01223 154 8D-2 -0.00209 0.00365 0.00459 0.00196 0.01629 155 8 Cu 1S 0.00000 -0.00083 0.01090 0.00068 -0.00720 156 2S 0.00002 -0.01806 0.12274 0.00776 -0.10123 157 3S -0.00092 -0.40664 2.19506 0.14026 -2.28857 158 4PX -0.01593 -0.01045 0.04680 -0.00017 0.01621 159 4PY -0.01124 0.04189 0.00543 -0.00203 -0.01821 160 4PZ -0.02750 -0.01109 -0.02885 -0.00739 -0.00223 161 5PX 0.13264 0.08875 -0.43501 0.05562 -0.20864 162 5PY 0.09366 -0.34706 -0.03785 0.05820 0.38821 163 5PZ 0.22917 0.09047 0.25386 0.16167 -0.03456 164 6PX -3.12164 -1.62843 2.13586 0.23892 -0.57354 165 6PY -2.20820 7.40575 0.56969 0.10590 0.31414 166 6PZ -5.37805 -2.09535 -1.49284 0.07930 0.19663 167 7D 0 0.01628 -0.00303 -0.00898 0.03457 -0.02862 168 7D+1 -0.01045 -0.00599 0.05653 0.02389 -0.07060 169 7D-1 0.00345 -0.00777 -0.00575 -0.05365 -0.03226 170 7D+2 -0.00906 -0.00341 -0.06980 0.02563 0.02004 171 7D-2 -0.00685 0.00258 -0.01730 -0.03329 -0.00366 172 8D 0 0.00372 -0.00029 -0.00233 0.01225 -0.01190 173 8D+1 0.00003 -0.00039 0.01643 0.00416 -0.02409 174 8D-1 -0.00263 0.00155 -0.00005 -0.01306 -0.00650 175 8D+2 0.00073 0.00169 -0.01801 0.00474 0.00991 176 8D-2 -0.00257 -0.00154 -0.00567 -0.01002 -0.00809 177 9 C 1S 0.00002 -0.00001 0.00012 0.00002 0.06863 178 2S 0.00001 -0.00059 -0.00019 -0.00007 -0.15454 179 3S -0.00072 0.00614 -0.00066 -0.00018 -1.17015 180 4PX -0.00271 -0.00475 -0.00252 0.00087 0.03212 181 4PY -0.00192 -0.00182 -0.00123 0.00078 -0.07575 182 4PZ -0.00389 0.00304 0.00130 0.00257 0.01437 183 5PX -0.02352 -0.03740 -0.01689 -0.01647 0.41623 184 5PY -0.01672 -0.02147 -0.01600 -0.00945 -0.81258 185 5PZ -0.03994 0.03015 0.01934 -0.02471 0.09704 186 10 O 1S 0.00004 -0.00037 0.00020 -0.00006 0.00271 187 2S -0.00011 0.00151 -0.00022 0.00008 0.01957 188 3S -0.00027 -0.00053 -0.00394 0.00094 -0.20900 189 4PX -0.00928 -0.01910 0.00256 0.00034 0.00197 190 4PY -0.00666 -0.00819 0.00053 0.00040 0.00872 191 4PZ -0.01596 0.01435 -0.00153 0.00011 -0.00570 192 5PX -0.00016 0.00044 0.00128 -0.00003 -0.05519 193 5PY 0.00003 -0.00217 -0.00010 0.00015 0.10888 194 5PZ -0.00041 0.00075 -0.00074 -0.00005 -0.01411 126 127 128 129 130 V V V V V EIGENVALUES -- 0.21406 0.22796 0.22849 0.24393 0.24889 1 1 Cu 1S 0.01943 0.00206 0.00134 0.00007 -0.00421 2 2S 0.10363 0.01283 0.00737 0.00031 -0.00911 3 3S 1.31106 -0.45980 -0.31531 -0.01071 0.81043 4 4PX -0.00582 0.05893 0.00438 -0.03753 0.05044 5 4PY 0.02093 -0.03669 -0.03689 -0.01211 -0.05296 6 4PZ 0.00056 -0.02283 0.06306 0.08300 0.03568 7 5PX 0.17594 -0.85166 -0.07085 0.76260 -1.04417 8 5PY -0.48425 0.60797 0.58050 0.24718 0.92036 9 5PZ 0.01212 0.33369 -0.90011 -1.68500 -0.79151 10 6PX -0.27257 1.19550 0.25451 -1.59406 1.57406 11 6PY 0.24248 -0.69927 -0.66430 -0.51391 -2.08735 12 6PZ -0.04482 -0.28586 1.05793 3.53339 1.17129 13 7D 0 0.01382 -0.02343 -0.05046 0.04476 0.01056 14 7D+1 -0.02448 0.04917 -0.01513 0.02314 0.04010 15 7D-1 -0.00917 -0.01829 0.02769 0.06540 0.00597 16 7D+2 -0.01595 -0.02503 0.01573 -0.00569 0.06567 17 7D-2 -0.01264 -0.02622 -0.02495 -0.03621 -0.00355 18 8D 0 0.00404 -0.00797 -0.01015 0.01820 0.00497 19 8D+1 -0.00953 0.01448 0.00005 0.00960 0.01951 20 8D-1 -0.00074 -0.00741 0.01049 0.02618 0.00402 21 8D+2 -0.00967 -0.00047 0.00683 -0.00246 0.02087 22 8D-2 -0.00118 -0.00488 -0.00816 -0.01461 0.00049 23 2 Cu 1S 0.00574 0.00010 -0.00209 0.00000 -0.00077 24 2S 0.02849 0.00006 -0.00326 0.00008 0.00069 25 3S -2.83428 -0.01524 0.54339 0.00414 0.14884 26 4PX -0.02139 -0.02512 -0.00777 0.01412 -0.00094 27 4PY 0.01794 -0.02045 0.04124 0.01006 0.00225 28 4PZ 0.00442 -0.04322 -0.01616 0.02428 -0.00408 29 5PX 0.60218 0.54053 0.14129 -0.42730 0.07025 30 5PY -0.08001 0.44453 -0.98056 -0.30405 -0.05775 31 5PZ -0.30451 0.92621 0.40207 -0.73448 0.17776 32 6PX 0.73777 -0.47562 -0.23420 0.80337 -0.34944 33 6PY -0.10353 -0.39334 0.84593 0.57040 -0.02721 34 6PZ -0.39309 -0.81405 -0.28524 1.38550 -0.55419 35 7D 0 -0.00897 0.09607 0.04512 -0.02710 -0.00032 36 7D+1 -0.00697 -0.04796 -0.01140 0.05737 -0.02683 37 7D-1 -0.04056 0.00365 -0.04644 -0.06294 0.01901 38 7D+2 -0.03781 -0.03716 -0.01538 0.06142 -0.03161 39 7D-2 0.01658 -0.05242 0.09982 -0.00530 0.01195 40 8D 0 0.00384 0.01921 0.00017 -0.02051 0.00541 41 8D+1 0.00422 -0.01651 -0.01022 0.01959 -0.00536 42 8D-1 0.01081 0.01221 -0.02283 -0.01365 -0.00143 43 8D+2 0.00793 -0.01551 -0.01500 0.01892 -0.00506 44 8D-2 -0.00331 -0.00707 0.01849 0.00582 0.00062 45 3 Cu 1S 0.01932 -0.00240 0.00110 0.00000 0.00451 46 2S 0.10339 -0.01432 0.00598 0.00000 0.00562 47 3S 1.34997 0.48265 -0.25642 0.00269 -1.10371 48 4PX -0.01091 -0.05695 -0.04182 0.08068 -0.02778 49 4PY 0.01810 0.04130 -0.05956 0.04270 0.08395 50 4PZ -0.00686 0.01834 -0.00193 -0.00828 0.02657 51 5PX 0.25290 0.85179 0.58127 -1.63799 0.48023 52 5PY -0.44693 -0.65368 0.88635 -0.86720 -1.61716 53 5PZ 0.12558 -0.22079 0.00926 0.16787 -0.67650 54 6PX -0.20377 -1.02189 -0.60028 3.43592 -1.01930 55 6PY 0.31539 0.88102 -1.06302 1.81963 3.01367 56 6PZ 0.10866 0.46156 -0.12457 -0.35021 0.56136 57 7D 0 -0.03180 0.00141 0.00491 0.01256 -0.03314 58 7D+1 0.00092 -0.01465 -0.02344 -0.06902 0.02455 59 7D-1 -0.01406 -0.01145 -0.00303 -0.04055 -0.07821 60 7D+2 0.00623 0.05577 0.02472 -0.03676 -0.00265 61 7D-2 0.00806 0.03406 -0.05632 0.01614 -0.00748 62 8D 0 -0.00927 -0.00330 0.00210 0.00505 -0.01549 63 8D+1 0.00338 0.00090 -0.00237 -0.02787 0.00499 64 8D-1 -0.00990 -0.00680 0.00446 -0.01634 -0.02813 65 8D+2 0.00279 0.01539 0.00800 -0.01454 0.00078 66 8D-2 0.00245 0.00784 -0.01492 0.00638 -0.00270 67 4 Cu 1S 0.00157 -0.00005 0.00001 0.00000 -0.00029 68 2S 0.00029 -0.00056 0.00075 0.00002 0.00099 69 3S -0.94869 0.00143 0.02046 0.00067 0.09803 70 4PX 0.00724 0.02237 0.04056 -0.00003 0.01320 71 4PY -0.01627 0.01609 0.01975 0.00001 0.01213 72 4PZ 0.00266 0.04368 -0.02784 0.00009 0.03225 73 5PX -0.07585 -0.44411 -0.80994 0.00115 -0.37392 74 5PY 0.20004 -0.32036 -0.39333 0.00017 -0.33284 75 5PZ -0.04262 -0.86801 0.55570 -0.00130 -0.90514 76 6PX 0.01089 0.50087 0.91938 -0.00102 0.59161 77 6PY -0.17933 0.36668 0.42728 -0.00009 0.42946 78 6PZ 0.07490 0.97928 -0.62178 0.00506 1.35545 79 7D 0 0.01052 -0.02812 0.01277 0.00005 0.05418 80 7D+1 -0.00069 -0.04769 0.03392 -0.00002 -0.05601 81 7D-1 0.00596 0.08660 -0.05345 0.00005 0.06016 82 7D+2 0.01170 -0.05344 -0.08574 -0.00006 -0.05708 83 7D-2 0.01361 0.03428 0.06025 -0.00003 -0.01734 84 8D 0 0.00175 0.00495 -0.00032 -0.00001 0.00471 85 8D+1 -0.00004 -0.01578 -0.00349 -0.00001 -0.02109 86 8D-1 0.00171 0.02028 -0.02002 0.00001 0.03004 87 8D+2 0.00234 -0.01661 -0.01910 0.00006 -0.02106 88 8D-2 0.00153 0.00241 0.01605 -0.00004 0.00252 89 5 Cu 1S 0.00440 -0.00182 0.00098 -0.00010 0.00351 90 2S 0.02585 -0.00286 0.00197 -0.00069 0.00034 91 3S -2.83329 0.53555 -0.25973 0.00337 -0.53559 92 4PX -0.01101 -0.03845 -0.03360 -0.02612 0.00957 93 4PY 0.01883 0.02329 -0.03981 -0.01382 -0.02200 94 4PZ -0.01578 0.01539 -0.00201 0.00255 -0.00719 95 5PX 0.14752 0.86014 0.71486 0.79196 -0.31731 96 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-- 0.32174 0.32179 0.34654 0.39683 0.39915 1 1 Cu 1S -0.00575 0.01493 0.01136 -0.00565 -0.00353 2 2S -0.10071 0.28290 0.15517 -0.10352 -0.06399 3 3S -3.65796 10.63973 4.56192 -3.98792 -2.46565 4 4PX -0.01889 0.07825 0.00520 -0.00832 -0.00398 5 4PY -0.03035 0.08882 0.04983 -0.03910 -0.02372 6 4PZ -0.02730 0.04365 0.00959 -0.00704 -0.00878 7 5PX 0.21284 -2.64658 0.56904 0.35721 0.43655 8 5PY 0.70165 -2.31292 -2.14981 1.03617 0.63852 9 5PZ 1.60712 -1.07461 0.05274 0.46785 0.04277 10 6PX 0.35798 -0.99208 -0.11422 0.05409 -0.22838 11 6PY 0.41702 -1.16290 -0.38538 1.22485 0.67556 12 6PZ 0.10278 -0.64331 -0.12246 -0.14041 0.57189 13 7D 0 -0.07348 -0.03318 -0.01506 -0.00399 0.03801 14 7D+1 -0.06057 0.02079 -0.06471 -0.02245 0.02151 15 7D-1 -0.07658 -0.00029 0.00697 -0.00099 -0.01172 16 7D+2 0.01950 0.03842 -0.11552 0.03418 -0.00764 17 7D-2 0.02991 0.06165 -0.00831 0.00290 -0.00365 18 8D 0 -0.02219 -0.00983 -0.00225 -0.00575 -0.00784 19 8D+1 -0.02377 0.00846 -0.01020 0.00391 -0.00671 20 8D-1 -0.01246 0.01314 -0.00182 -0.01097 0.00935 21 8D+2 0.00928 0.01171 -0.01593 -0.01247 -0.00110 22 8D-2 -0.00260 0.03586 -0.00437 -0.01107 -0.01383 23 2 Cu 1S 0.01114 0.01219 0.00925 -0.00226 0.02780 24 2S 0.04884 0.05313 -0.07560 -0.00696 0.09172 25 3S -1.01931 -1.12245 -3.97388 0.07288 -0.56086 26 4PX -0.00585 0.00212 -0.03676 -0.00492 0.00455 27 4PY 0.00511 0.01159 -0.03048 -0.00438 0.01486 28 4PZ -0.00982 0.00413 0.03361 -0.00764 -0.00978 29 5PX 0.40118 -0.17519 1.11031 0.19857 -0.10724 30 5PY -0.03248 -0.47573 0.03830 0.11648 0.24937 31 5PZ 0.57777 -0.42951 -0.64847 0.34099 0.00261 32 6PX 0.06568 0.00511 0.66164 -0.29945 -0.64611 33 6PY 0.10812 0.07287 0.06365 -0.30413 0.76313 34 6PZ 0.00778 -0.11169 -0.41694 -0.59275 -0.01928 35 7D 0 0.02241 -0.01102 -0.00451 0.01539 -0.01837 36 7D+1 0.01285 0.05940 -0.01488 -0.02338 -0.02447 37 7D-1 0.00711 -0.03306 -0.00985 0.02752 -0.00468 38 7D+2 -0.06677 -0.02691 0.00062 -0.02721 0.00106 39 7D-2 0.00563 0.01149 0.00387 0.00321 -0.02041 40 8D 0 0.01772 -0.01434 0.00391 0.00066 0.02026 41 8D+1 -0.01503 0.00321 0.01216 0.00136 0.01402 42 8D-1 0.00195 -0.00235 -0.01880 -0.00794 0.02969 43 8D+2 -0.00291 0.01318 -0.02741 0.00134 0.02734 44 8D-2 -0.00437 0.01018 0.01713 -0.00345 0.00595 45 3 Cu 1S 0.01534 -0.00413 0.01165 0.00603 -0.00257 46 2S 0.28970 -0.07251 0.16049 0.11054 -0.04561 47 3S 10.89325 -2.64253 4.75168 4.26967 -1.75567 48 4PX -0.02015 0.01813 -0.02098 -0.01477 0.00968 49 4PY 0.02033 -0.00072 0.03285 0.02524 -0.00822 50 4PZ -0.12590 0.02824 -0.03609 -0.03235 0.01350 51 5PX 0.21713 -1.32090 0.97713 0.47423 0.09115 52 5PY -0.31993 -0.44158 -1.89399 -0.45830 0.26081 53 5PZ 3.72927 -0.73002 0.76797 1.08656 -0.51686 54 6PX 0.31943 0.01477 0.16565 0.36206 -0.74197 55 6PY -0.26270 0.12602 -0.20926 -1.04932 0.11558 56 6PZ 1.64359 -0.38621 0.36919 0.71067 -0.25914 57 7D 0 0.07536 0.00752 -0.05695 0.00116 -0.01171 58 7D+1 -0.02261 -0.11284 0.04096 0.02719 0.02937 59 7D-1 0.00613 -0.05775 -0.11171 -0.01010 0.01753 60 7D+2 -0.00067 -0.02543 -0.00258 -0.02106 -0.01740 61 7D-2 0.01041 0.00083 -0.02301 -0.00772 0.02780 62 8D 0 0.04051 -0.00268 -0.01100 0.01197 -0.00562 63 8D+1 -0.00004 -0.03158 0.00387 -0.00133 -0.00010 64 8D-1 -0.00419 -0.01321 -0.01475 0.00374 0.00024 65 8D+2 0.00749 0.00388 -0.00132 0.01500 0.00950 66 8D-2 0.00734 -0.00948 -0.00348 0.00912 -0.01539 67 4 Cu 1S -0.00107 -0.00123 0.02837 -0.00037 0.00169 68 2S -0.00615 -0.00696 0.11291 -0.00152 0.00719 69 3S -0.09250 -0.08330 0.41500 -0.01492 0.07404 70 4PX 0.00307 0.01485 -0.00573 -0.00207 -0.00481 71 4PY -0.00166 0.00633 0.01229 -0.00180 -0.00103 72 4PZ -0.01599 0.00233 -0.00183 -0.00452 0.00264 73 5PX -0.16133 -0.80789 0.25524 0.06114 0.14816 74 5PY 0.06650 -0.38083 -0.56756 0.05793 0.01515 75 5PZ 0.88763 -0.12165 0.08927 0.13647 -0.07506 76 6PX -0.02057 -0.08037 0.02676 -0.20848 -0.36409 77 6PY 0.01421 -0.02869 -0.03252 -0.15557 -0.16799 78 6PZ 0.07769 -0.01021 -0.00707 -0.43864 0.23200 79 7D 0 -0.00991 0.00459 0.03331 0.02823 -0.00620 80 7D+1 0.01688 -0.02375 -0.00264 -0.00651 -0.02910 81 7D-1 -0.04959 -0.00505 0.00811 -0.00554 -0.01311 82 7D+2 0.00182 -0.04365 0.02949 -0.00634 0.00974 83 7D-2 0.01282 0.02147 0.04786 -0.01568 0.00197 84 8D 0 0.00211 0.00156 -0.01714 -0.01788 0.00357 85 8D+1 0.01190 -0.00715 0.00160 0.00542 0.01891 86 8D-1 -0.02580 0.00071 -0.00598 0.00168 0.00968 87 8D+2 0.00032 -0.02339 -0.01688 0.00546 -0.00511 88 8D-2 0.00680 0.01588 -0.02356 0.00969 -0.00302 89 5 Cu 1S -0.01709 0.00332 0.01089 0.02463 -0.01217 90 2S -0.06129 0.01703 -0.07116 0.09677 -0.05251 91 3S 2.02685 -0.24828 -3.91783 0.02633 -0.20626 92 4PX 0.00736 0.00900 0.00408 -0.00917 -0.00521 93 4PY -0.00786 0.00823 -0.01573 0.01178 -0.01179 94 4PZ 0.00394 0.00084 -0.05429 0.01913 -0.01111 95 5PX -0.37762 -0.71378 0.15087 0.03544 0.38539 96 5PY 0.29190 -0.46960 -0.19538 0.27002 0.07517 97 5PZ -0.13702 0.04493 1.26231 -0.21690 0.12860 98 6PX 0.00364 -0.09059 0.14654 -0.66571 -0.42847 99 6PY -0.08321 -0.02495 -0.04209 0.52775 -0.66450 100 6PZ -0.20401 0.01533 0.69807 -0.31894 0.25888 101 7D 0 0.05703 -0.01971 0.02071 0.01447 -0.00240 102 7D+1 0.04324 0.02348 0.00828 -0.00110 -0.02201 103 7D-1 -0.04672 0.03087 -0.00143 -0.01124 -0.01199 104 7D+2 0.01724 0.03438 -0.00047 -0.03210 -0.02313 105 7D-2 -0.00077 -0.01889 -0.01111 -0.01809 0.02998 106 8D 0 -0.01016 -0.00194 -0.01296 -0.00076 -0.00004 107 8D+1 0.00514 0.02595 -0.01560 0.00831 -0.00591 108 8D-1 0.00131 0.01319 0.02989 -0.02492 0.01397 109 8D+2 -0.00077 0.00616 -0.00148 0.02746 -0.00689 110 8D-2 -0.00324 -0.00055 0.00313 0.03023 -0.01836 111 6 Cu 1S 0.00090 0.00082 0.00037 -0.00006 0.00069 112 2S 0.00654 0.00569 -0.00894 -0.00099 0.00827 113 3S -0.01124 -0.05320 0.03811 -0.05489 0.20039 114 4PX 0.00967 0.03773 -0.06742 -0.00619 -0.01796 115 4PY -0.00667 0.01367 0.13591 -0.00603 -0.00182 116 4PZ -0.03829 0.00515 -0.01701 -0.01391 0.00908 117 5PX -0.30399 -1.31137 1.69617 0.42054 0.96085 118 5PY 0.17414 -0.53892 -3.54183 0.35383 0.30196 119 5PZ 1.37274 -0.18416 0.48592 0.90768 -0.55940 120 6PX 0.07609 0.47844 0.21850 1.46621 2.97451 121 6PY 0.01616 0.28257 -0.70720 1.10268 1.34251 122 6PZ -0.55496 0.06445 0.18549 3.08022 -1.88017 123 7D 0 -0.01788 0.00182 -0.00271 -0.01235 0.00175 124 7D+1 -0.04897 0.01265 -0.00066 0.00629 0.01169 125 7D-1 0.09176 -0.00840 0.00151 -0.00270 0.00832 126 7D+2 0.00613 0.08804 0.00034 0.00607 -0.00057 127 7D-2 -0.01541 -0.05890 -0.00480 0.00548 -0.00447 128 8D 0 -0.01693 0.00633 -0.00185 0.01346 -0.00422 129 8D+1 -0.01723 -0.00888 -0.00009 0.01712 -0.01316 130 8D-1 0.02096 -0.00817 -0.00126 -0.03280 0.01819 131 8D+2 0.00618 0.02312 -0.00148 0.01837 0.03237 132 8D-2 0.00214 -0.01845 -0.00238 -0.01296 -0.02160 133 7 Cu 1S 0.00492 -0.01669 0.01049 -0.02237 -0.01634 134 2S 0.02337 -0.06032 -0.07319 -0.08434 -0.06747 135 3S -0.41577 1.95752 -3.92989 0.12024 -0.16132 136 4PX 0.00113 0.00412 0.04966 0.02036 0.01281 137 4PY 0.00394 -0.00999 0.01615 -0.00172 -0.00186 138 4PZ -0.01161 -0.00349 0.02330 0.00256 0.01463 139 5PX -0.25816 -0.23007 -0.83189 -0.08696 0.08513 140 5PY -0.19509 0.39581 -0.89576 -0.27296 -0.17944 141 5PZ 0.77385 0.24236 -0.41662 0.18081 -0.35073 142 6PX -0.07048 0.17851 -0.44750 0.33777 -0.16030 143 6PY -0.00234 0.04122 -0.46603 -0.69775 -0.65887 144 6PZ 0.07575 0.11509 -0.32838 -0.41168 0.54382 145 7D 0 0.02294 -0.00865 -0.01120 0.02924 0.00777 146 7D+1 -0.00321 0.00768 0.01237 -0.01874 -0.00704 147 7D-1 0.03371 0.05347 0.01552 0.01680 -0.03889 148 7D+2 0.01523 -0.03493 -0.00062 0.01632 0.00153 149 7D-2 -0.04175 0.05630 0.00857 -0.00713 0.01752 150 8D 0 0.01685 0.00510 0.00841 -0.02261 -0.01731 151 8D+1 0.01305 0.00021 0.00477 0.02598 0.01442 152 8D-1 0.01774 0.00197 -0.01326 -0.00830 -0.00047 153 8D+2 -0.00472 -0.00568 0.02577 0.00777 0.01061 154 8D-2 -0.00721 -0.01088 -0.02018 -0.02385 -0.01993 155 8 Cu 1S -0.01207 -0.01292 0.00996 -0.00074 0.00743 156 2S -0.21280 -0.23102 0.11664 -0.01201 0.13107 157 3S -7.76076 -8.48472 3.01282 -0.44345 4.92264 158 4PX 0.07444 0.09040 -0.02727 0.00560 -0.04246 159 4PY 0.00001 0.00666 0.02182 -0.00072 0.02146 160 4PZ -0.05522 -0.04440 0.00690 0.00171 0.01629 161 5PX -1.75161 -2.84036 0.97609 0.00286 1.30777 162 5PY 0.03963 -0.62554 -1.69636 0.13254 -0.40922 163 5PZ 2.19854 0.81001 0.13960 0.24989 -0.56122 164 6PX -1.05199 -1.06984 0.12974 -0.35645 1.06043 165 6PY -0.08769 -0.05110 -0.13416 -0.10291 -0.86326 166 6PZ 0.54388 0.73737 -0.01878 -0.42467 -0.32922 167 7D 0 -0.07656 0.06399 -0.02329 -0.03730 -0.01960 168 7D+1 0.07301 -0.00331 0.03025 0.00135 -0.00919 169 7D-1 0.00198 0.01814 0.07324 0.02420 0.00983 170 7D+2 0.01212 -0.05620 0.02756 -0.00674 0.00657 171 7D-2 0.01272 -0.05284 -0.09969 0.02908 -0.02805 172 8D 0 -0.02464 0.01641 -0.00515 0.00233 0.01021 173 8D+1 0.02483 0.01384 0.00947 0.00740 -0.00384 174 8D-1 0.00701 -0.00330 0.00954 -0.01235 -0.00005 175 8D+2 -0.01407 -0.02292 -0.00260 0.00796 0.01185 176 8D-2 0.00106 -0.02302 -0.01794 -0.00654 0.01630 177 9 C 1S -0.00301 -0.00296 0.08174 -0.00086 0.00284 178 2S 0.00086 0.00106 -0.08539 0.00222 -0.00827 179 3S 0.10073 0.09715 -2.56919 0.02342 -0.07357 180 4PX 0.04739 0.24196 -0.04442 0.33380 0.65463 181 4PY -0.01385 0.11985 0.07222 0.25140 0.27549 182 4PZ -0.26640 0.03400 0.00150 0.70469 -0.40826 183 5PX -0.01465 -0.07309 0.04262 -0.73856 -1.46033 184 5PY 0.00380 -0.03206 0.04630 -0.55892 -0.63751 185 5PZ 0.07953 -0.01008 -0.04763 -1.55964 0.91864 186 10 O 1S 0.00179 0.00160 -0.04648 0.00044 -0.00045 187 2S -0.00413 -0.00384 0.10266 -0.00104 0.00167 188 3S -0.02437 -0.02122 0.65093 -0.00562 0.00232 189 4PX -0.00230 -0.02375 -0.08225 0.05702 0.10807 190 4PY -0.00583 -0.02036 0.15649 0.04130 0.05199 191 4PZ 0.03037 -0.00232 -0.01640 0.11909 -0.06963 192 5PX 0.00243 -0.01799 -0.18968 0.05172 0.09748 193 5PY -0.01283 -0.02594 0.36694 0.03358 0.05062 194 5PZ 0.02892 -0.00193 -0.04119 0.10557 -0.06430 141 142 143 144 145 V V V V V EIGENVALUES -- 0.53552 0.64085 0.65956 0.65983 0.67474 1 1 Cu 1S 0.01974 -0.03554 0.00406 -0.02845 0.05991 2 2S 0.01555 -0.05064 -0.01119 0.01072 0.10145 3 3S -0.65977 2.09150 -0.58773 2.28486 -1.53973 4 4PX -0.00422 -0.00400 -0.00546 -0.00014 0.00577 5 4PY -0.00366 -0.00137 -0.00902 0.02290 -0.00518 6 4PZ -0.00272 -0.00134 0.01079 0.00779 -0.00502 7 5PX -0.03623 0.01781 0.32864 -0.29844 -0.05009 8 5PY 0.22896 -0.05679 0.28587 -0.61945 0.20798 9 5PZ 0.01877 -0.03422 -0.44220 -0.41564 0.22823 10 6PX 0.04707 0.24332 0.50140 -0.59786 -0.17606 11 6PY -0.16978 0.01758 0.08254 0.12165 0.15845 12 6PZ -0.03251 0.08671 -0.59120 -0.46734 0.34139 13 7D 0 0.01563 -0.09305 0.07448 -0.08677 0.07541 14 7D+1 -0.00350 0.14312 0.06243 0.04561 -0.01588 15 7D-1 -0.02292 0.09024 -0.13196 0.00994 0.12487 16 7D+2 0.03418 0.01616 -0.02679 -0.15356 0.03765 17 7D-2 -0.02781 0.13642 0.04227 -0.00013 0.01341 18 8D 0 -0.01638 0.14209 -0.08624 0.12113 -0.08731 19 8D+1 0.01381 -0.19991 -0.08063 -0.05187 0.05375 20 8D-1 0.02805 -0.13296 0.19863 0.00189 -0.18159 21 8D+2 -0.02161 -0.00398 0.03520 0.20967 -0.07062 22 8D-2 0.03979 -0.19605 -0.07672 0.01388 -0.02523 23 2 Cu 1S -0.02188 0.18265 0.06081 -0.01506 -0.13699 24 2S -0.02699 0.36252 0.09192 -0.02323 -0.22394 25 3S -0.20257 -2.81127 -0.84053 0.21586 3.37157 26 4PX -0.00115 -0.00421 -0.00458 0.00307 0.00322 27 4PY 0.00641 0.00102 0.00804 -0.00040 0.00248 28 4PZ -0.00198 0.00206 0.00043 0.00330 -0.00315 29 5PX -0.06274 0.49112 0.28434 -0.24374 -0.68302 30 5PY 0.09165 0.04149 -0.09196 -0.10287 -0.13619 31 5PZ -0.00149 -0.30713 -0.22304 -0.24801 0.43896 32 6PX -0.10248 0.51723 0.03215 0.02541 -0.35697 33 6PY 0.37610 0.04647 -0.38896 0.11044 -0.03074 34 6PZ -0.09700 -0.31871 0.15747 0.02674 0.17952 35 7D 0 -0.00351 0.01274 -0.05438 0.00552 -0.03711 36 7D+1 0.00005 -0.00966 0.10596 0.03216 -0.11689 37 7D-1 -0.02840 -0.02370 -0.03697 -0.06792 -0.10403 38 7D+2 -0.02902 -0.00375 -0.12649 0.09394 -0.01889 39 7D-2 0.01602 0.03994 -0.09965 0.00188 0.01639 40 8D 0 0.00521 -0.01308 0.07991 -0.03667 0.04753 41 8D+1 -0.00983 0.04031 -0.12457 -0.02375 0.12286 42 8D-1 0.03998 0.02433 0.05515 0.07614 0.13711 43 8D+2 0.05042 -0.02502 0.17785 -0.10559 0.05426 44 8D-2 -0.01934 -0.04793 0.14669 0.00353 -0.00855 45 3 Cu 1S 0.01977 -0.03514 0.01562 0.02455 0.07746 46 2S 0.01531 -0.05144 -0.01468 -0.00394 0.13242 47 3S -0.66114 2.04271 -1.48729 -1.83480 -1.93605 48 4PX 0.00095 -0.00041 -0.00198 0.01574 0.00884 49 4PY -0.00012 0.00066 -0.01591 -0.00773 -0.00492 50 4PZ 0.00619 0.00466 0.01124 0.01096 0.00011 51 5PX -0.10755 0.04398 0.24067 -0.50928 -0.27640 52 5PY 0.17929 -0.02843 0.39476 -0.00077 0.10156 53 5PZ -0.10440 0.01304 -0.53291 -0.52367 -0.19389 54 6PX 0.10813 0.05944 0.64178 -0.30399 -0.40592 55 6PY -0.14440 -0.11498 -0.02325 -0.57472 0.05641 56 6PZ 0.06562 -0.23497 -0.44169 -0.39089 -0.08925 57 7D 0 -0.02526 0.22571 -0.01945 -0.00859 0.04196 58 7D+1 -0.02554 0.04643 -0.02980 -0.07051 0.06698 59 7D-1 0.03724 0.00324 0.05690 0.08527 0.03157 60 7D+2 0.00112 -0.03172 -0.05963 0.13814 0.12931 61 7D-2 0.00919 -0.03933 0.15038 0.01996 0.03233 62 8D 0 0.04347 -0.32099 0.00831 0.00001 -0.06209 63 8D+1 0.02387 -0.07465 0.05355 0.07592 -0.06737 64 8D-1 -0.02867 0.01396 -0.06438 -0.12382 -0.03209 65 8D+2 0.00117 0.04905 0.08960 -0.19913 -0.20598 66 8D-2 -0.00521 0.06520 -0.21256 -0.02613 -0.03895 67 4 Cu 1S -0.03232 0.13031 0.00918 -0.00186 -0.00891 68 2S -0.06650 0.27875 0.01246 -0.00320 -0.01766 69 3S 0.43594 -1.53298 -0.19617 0.03339 0.10982 70 4PX 0.00230 0.00105 0.00051 -0.00049 0.00374 71 4PY -0.00429 -0.00179 -0.00055 -0.00023 0.00206 72 4PZ 0.00040 0.00012 -0.00033 -0.00067 -0.00348 73 5PX -0.00526 -0.12994 -0.01674 -0.00549 -0.03260 74 5PY 0.00829 0.23990 0.05846 -0.01360 -0.04021 75 5PZ -0.00023 -0.02269 -0.01656 -0.00703 0.04031 76 6PX 0.03869 -0.25367 -0.01455 -0.00763 0.20681 77 6PY -0.03797 0.46143 0.00795 -0.01384 0.04766 78 6PZ -0.01151 -0.04153 -0.00452 -0.02377 -0.16502 79 7D 0 -0.00700 -0.06177 -0.04253 -0.08064 -0.00779 80 7D+1 0.00102 0.00330 -0.08477 0.04729 -0.02035 81 7D-1 -0.00178 -0.01884 -0.02290 0.02902 -0.14585 82 7D+2 -0.00667 -0.05619 0.05050 0.00576 -0.09743 83 7D-2 -0.01027 -0.08544 0.01847 0.04896 0.10075 84 8D 0 0.00335 0.09306 0.06678 0.12002 0.00658 85 8D+1 -0.00053 -0.00534 0.12663 -0.07112 0.02208 86 8D-1 0.00084 0.02773 0.03789 -0.04361 0.18473 87 8D+2 0.00308 0.08474 -0.07013 -0.01004 0.12508 88 8D-2 0.00490 0.12944 -0.02497 -0.07301 -0.13049 89 5 Cu 1S -0.02400 0.17997 -0.04286 -0.03860 0.06366 90 2S -0.02921 0.35895 -0.06624 -0.05769 0.10127 91 3S -0.22518 -2.77012 0.66687 0.49509 -1.70305 92 4PX -0.00293 -0.00110 -0.00026 0.00599 0.00225 93 4PY 0.00590 0.00099 -0.00698 -0.00471 -0.00012 94 4PZ 0.00219 -0.00408 0.00185 0.00118 -0.00257 95 5PX -0.05257 0.11119 0.15919 -0.29029 0.17997 96 5PY 0.09769 -0.07089 0.21478 -0.01089 0.06130 97 5PZ -0.02252 0.54603 -0.25367 -0.18711 0.39615 98 6PX -0.19550 0.09599 -0.18292 -0.05308 0.38371 99 6PY 0.40233 -0.08110 0.19680 0.24507 0.10402 100 6PZ 0.07431 0.61382 0.09909 0.12167 0.14664 101 7D 0 0.00089 0.03663 0.11933 0.11561 -0.09065 102 7D+1 -0.01937 -0.01279 0.00212 0.04725 0.15389 103 7D-1 0.03886 0.03254 -0.05796 -0.01267 0.03752 104 7D+2 -0.01285 0.00678 -0.01936 0.11264 -0.01620 105 7D-2 -0.01306 0.02708 0.09618 0.03021 0.09370 106 8D 0 0.01267 -0.07897 -0.15442 -0.15827 0.10513 107 8D+1 0.03057 -0.00178 -0.02242 -0.03872 -0.23925 108 8D-1 -0.05758 -0.02116 0.06071 0.02832 -0.06110 109 8D+2 0.01957 -0.01322 0.00321 -0.14627 0.03453 110 8D-2 0.01943 -0.03626 -0.13270 -0.06014 -0.14061 111 6 Cu 1S -0.06483 0.01160 0.00095 -0.00068 0.00047 112 2S -0.21012 0.01168 0.00948 -0.00215 -0.00172 113 3S 2.91775 3.49152 -0.18924 0.02250 0.00916 114 4PX 0.02329 0.00627 -0.00183 0.00155 0.01831 115 4PY -0.04442 -0.01176 -0.00218 0.00112 0.00905 116 4PZ 0.00481 0.00118 0.00245 0.00117 -0.01659 117 5PX -0.01862 -0.00048 0.24512 -0.26768 -0.38079 118 5PY 0.01607 0.04164 0.20331 -0.18260 -0.20485 119 5PZ 0.00687 -0.02212 -0.33652 -0.27776 0.35335 120 6PX 0.11847 -0.11740 -0.38066 0.41692 -0.59733 121 6PY -0.38648 0.23847 -0.28145 0.29319 -0.16223 122 6PZ 0.11149 -0.02707 0.52315 0.45654 0.47354 123 7D 0 0.09168 -0.01622 -0.04513 -0.04466 -0.09493 124 7D+1 -0.01282 -0.00709 -0.07265 -0.07374 -0.22855 125 7D-1 0.02738 0.00559 0.14511 0.13198 -0.10416 126 7D+2 0.08970 -0.00216 0.11199 -0.14097 0.08063 127 7D-2 0.13291 -0.02453 -0.10940 0.09708 0.02463 128 8D 0 -0.14198 0.03802 0.06952 0.06923 0.15419 129 8D+1 0.02061 0.00846 0.10941 0.10745 0.37293 130 8D-1 -0.04276 -0.00368 -0.21351 -0.19649 0.16441 131 8D+2 -0.13985 0.01792 -0.16556 0.20786 -0.13609 132 8D-2 -0.20587 0.05622 0.16312 -0.14606 -0.03731 133 7 Cu 1S -0.02395 0.18036 -0.02299 0.05146 0.04666 134 2S -0.02959 0.35924 -0.03644 0.07689 0.07404 135 3S -0.22171 -2.77773 0.40390 -0.69840 -1.27776 136 4PX -0.00505 0.00214 -0.00109 -0.00384 0.00275 137 4PY 0.00429 0.00355 -0.00314 0.00828 0.00048 138 4PZ -0.00164 0.00168 0.00410 0.00069 -0.00132 139 5PX -0.04269 -0.33831 0.20196 -0.07991 -0.15317 140 5PY 0.10462 -0.39044 0.15267 -0.26991 -0.15545 141 5PZ -0.00567 -0.23182 -0.26306 -0.19412 -0.27170 142 6PX -0.28741 -0.39387 -0.13039 0.29354 0.10128 143 6PY 0.32728 -0.42777 0.08236 -0.19352 -0.07283 144 6PZ -0.09353 -0.23045 0.05617 0.11998 -0.41563 145 7D 0 -0.00926 0.01285 -0.00580 -0.03012 0.17430 146 7D+1 0.02061 0.02311 0.02914 -0.00770 0.07379 147 7D-1 -0.01134 -0.00309 -0.06848 -0.10200 0.01093 148 7D+2 0.03195 0.04223 -0.02397 -0.03048 -0.08818 149 7D-2 -0.02267 0.02611 0.09868 -0.16900 -0.04195 150 8D 0 0.01008 -0.00952 -0.01523 0.04886 -0.25669 151 8D+1 -0.02416 -0.03825 -0.04521 -0.00161 -0.13223 152 8D-1 0.02230 -0.01720 0.06123 0.12514 -0.01957 153 8D+2 -0.04464 -0.03979 0.02955 0.04994 0.13065 154 8D-2 0.04361 -0.06517 -0.11644 0.23999 0.04845 155 8 Cu 1S 0.02010 -0.03768 -0.02133 0.00508 -0.13265 156 2S 0.01643 -0.04853 0.02588 -0.00551 -0.23369 157 3S -0.68300 2.32117 2.20954 -0.51672 2.97593 158 4PX 0.00495 0.00098 -0.01814 0.01073 -0.00681 159 4PY 0.00155 0.00367 0.01229 0.00181 0.01202 160 4PZ -0.00355 -0.00190 0.00919 0.00935 -0.00179 161 5PX -0.16838 0.10914 0.60285 -0.42494 0.43653 162 5PY 0.15736 -0.05674 -0.08578 -0.17827 -0.21878 163 5PZ 0.03285 -0.04787 -0.47094 -0.38403 -0.13849 164 6PX 0.09088 -0.08696 0.16674 -0.38630 0.33404 165 6PY -0.05838 -0.16495 0.60008 -0.37192 -0.26233 166 6PZ -0.03388 0.11424 -0.52958 -0.47370 -0.04342 167 7D 0 0.01132 -0.04611 -0.06944 0.06343 -0.08177 168 7D+1 0.02803 -0.20053 -0.05436 0.07206 0.04204 169 7D-1 -0.01387 -0.07092 0.00850 -0.11586 -0.03789 170 7D+2 -0.03301 0.09788 0.06469 0.06225 -0.14415 171 7D-2 0.02187 0.02890 -0.14986 -0.02426 -0.11629 172 8D 0 -0.00824 0.07304 0.09964 -0.06596 0.12710 173 8D+1 -0.04011 0.28836 0.05718 -0.11083 -0.05540 174 8D-1 0.00623 0.09369 -0.01197 0.16617 0.05993 175 8D+2 0.03882 -0.14509 -0.08015 -0.10184 0.21329 176 8D-2 -0.00789 -0.02514 0.20851 0.02408 0.17047 177 9 C 1S 0.03230 0.02021 -0.00523 0.00081 0.00417 178 2S -0.18540 0.31425 -0.05050 0.00572 0.00020 179 3S -2.13935 -0.62376 0.05400 -0.00079 -0.00324 180 4PX -0.46494 -0.20791 0.01817 -0.00883 -0.00499 181 4PY 0.94360 0.43192 -0.01585 -0.00579 0.01319 182 4PZ -0.11737 -0.05840 -0.00737 -0.00917 -0.00366 183 5PX 0.23562 0.13085 -0.19895 0.16838 0.10206 184 5PY -0.45545 -0.32575 0.00683 0.09478 -0.00460 185 5PZ 0.04920 0.06309 0.18103 0.17522 -0.06416 186 10 O 1S -0.09064 -0.00704 -0.00207 0.00046 0.00019 187 2S 0.25219 0.05269 -0.00256 -0.00001 0.00509 188 3S 0.84322 0.06287 0.03433 -0.00723 -0.01961 189 4PX -0.02518 -0.23741 -0.27234 0.30292 -0.02499 190 4PY 0.06878 0.42105 -0.18014 0.20327 0.03571 191 4PZ -0.01319 -0.02981 0.36462 0.33070 0.00029 192 5PX -0.65106 0.17920 0.41403 -0.45838 0.01303 193 5PY 1.29109 -0.26916 0.27349 -0.31195 -0.05157 194 5PZ -0.15388 -0.00161 -0.55352 -0.50125 0.01484 146 147 148 149 150 V V V V V EIGENVALUES -- 0.67492 0.67928 0.69818 0.70934 0.70994 1 1 Cu 1S -0.12322 0.01843 0.01508 0.18664 0.11994 2 2S -0.21719 0.00880 0.06594 0.22688 0.14466 3 3S 2.80037 -1.83308 0.78666 -7.27758 -4.72731 4 4PX -0.00454 -0.00217 -0.00808 -0.01687 -0.01729 5 4PY 0.01079 0.00100 0.01907 -0.02128 -0.01609 6 4PZ -0.00470 0.00201 -0.00060 -0.01880 0.00165 7 5PX -0.10367 0.19819 0.42034 1.18705 0.65053 8 5PY -0.45886 -0.16562 -0.77087 1.15292 0.72340 9 5PZ 0.01530 -0.00412 0.07411 0.55731 0.61880 10 6PX -0.01827 0.09259 0.43123 0.71609 0.46044 11 6PY -0.43580 -0.05367 -0.75887 0.91145 0.61641 12 6PZ 0.15353 -0.03748 0.06521 0.46983 0.28142 13 7D 0 -0.05434 0.01144 -0.09580 -0.12187 0.15758 14 7D+1 0.00685 0.00992 0.13830 -0.08758 0.16302 15 7D-1 0.00921 -0.09988 -0.00396 -0.02744 0.02409 16 7D+2 -0.02439 0.06219 0.08660 0.06563 -0.07579 17 7D-2 -0.18459 -0.13611 -0.05623 0.00544 -0.06529 18 8D 0 0.09961 -0.02370 0.14584 0.19685 -0.26952 19 8D+1 -0.00428 -0.01247 -0.21593 0.13324 -0.28414 20 8D-1 -0.01626 0.15848 0.01167 0.02615 -0.04650 21 8D+2 0.02924 -0.10289 -0.14844 -0.13313 0.11421 22 8D-2 0.26861 0.21673 0.09275 -0.05516 0.07612 23 2 Cu 1S 0.00745 -0.08328 0.00996 -0.06240 0.03073 24 2S 0.01124 -0.17132 -0.03065 -0.13186 0.06463 25 3S -0.22126 0.71091 -1.08250 2.17318 -1.09533 26 4PX -0.00154 0.00155 -0.00654 0.00022 0.00046 27 4PY -0.00120 -0.00445 -0.00274 0.00124 -0.00024 28 4PZ -0.00206 0.00100 0.00498 0.00001 0.00115 29 5PX -0.03276 -0.17101 0.41008 -0.30032 0.35475 30 5PY -0.04211 0.05738 -0.13490 0.29095 -0.00635 31 5PZ -0.16082 0.07672 -0.18906 0.26338 0.21277 32 6PX -0.19118 -0.09126 -0.15062 -0.66967 0.30242 33 6PY -0.15453 -0.19344 0.50868 0.01596 -0.02636 34 6PZ -0.37763 0.14901 -0.11967 0.34860 -0.22825 35 7D 0 0.18711 0.02024 0.06621 0.04217 -0.09393 36 7D+1 -0.04131 0.04473 0.06650 0.21511 -0.01484 37 7D-1 -0.04855 -0.01346 -0.02625 0.03283 -0.09729 38 7D+2 -0.02415 -0.03933 -0.05185 -0.02789 0.10747 39 7D-2 -0.10394 0.04309 0.10960 0.02453 -0.00011 40 8D 0 -0.28353 -0.03249 -0.10247 -0.06447 0.15891 41 8D+1 0.06054 -0.08276 -0.08972 -0.35010 0.02110 42 8D-1 0.08325 0.01153 0.01401 -0.02988 0.14510 43 8D+2 0.02855 0.06583 0.04282 0.06704 -0.18834 44 8D-2 0.15919 -0.05738 -0.15245 -0.05854 0.00569 45 3 Cu 1S 0.11406 0.01390 0.01985 0.01513 -0.22093 46 2S 0.20042 -0.00055 0.07260 0.01932 -0.26668 47 3S -2.64326 -1.77375 0.62206 -0.55406 8.66458 48 4PX 0.00098 -0.00292 -0.00995 0.01175 -0.00629 49 4PY -0.01187 0.00092 0.01742 0.00602 0.00599 50 4PZ 0.00073 0.00083 -0.00335 0.00109 -0.03785 51 5PX -0.03033 0.15985 0.40962 0.19696 0.32831 52 5PY 0.31324 -0.20753 -0.76892 0.10544 -0.20210 53 5PZ -0.30015 -0.06671 0.03477 -0.14823 2.04689 54 6PX 0.05136 0.08860 0.42481 -0.02637 0.30884 55 6PY 0.41381 -0.06834 -0.76610 -0.01312 -0.30473 56 6PZ -0.18807 -0.03481 0.02911 -0.08728 1.43488 57 7D 0 0.10379 -0.11981 0.07415 0.04178 0.01330 58 7D+1 -0.02277 -0.07215 -0.03368 -0.24594 -0.00394 59 7D-1 -0.04979 0.11022 0.12600 -0.11427 -0.02989 60 7D+2 0.01277 -0.05669 -0.08317 0.07306 0.02084 61 7D-2 0.13863 -0.02369 -0.09775 -0.08337 0.01732 62 8D 0 -0.14288 0.19097 -0.11342 -0.07314 0.03678 63 8D+1 0.01550 0.11638 0.06112 0.41069 0.00951 64 8D-1 0.06427 -0.17718 -0.20913 0.18953 0.05594 65 8D+2 -0.01372 0.08496 0.12826 -0.12860 -0.01668 66 8D-2 -0.21851 0.03332 0.14884 0.14158 -0.00065 67 4 Cu 1S -0.00387 -0.16981 -0.12122 -0.00514 0.00062 68 2S -0.00672 -0.29128 -0.16154 -0.00766 0.00110 69 3S 0.05853 2.83853 3.02356 0.11404 -0.02091 70 4PX -0.00295 -0.00515 -0.00463 -0.00061 -0.00007 71 4PY -0.00175 0.00929 0.00879 0.00017 -0.00012 72 4PZ -0.00414 -0.00070 -0.00093 -0.00002 -0.00047 73 5PX 0.03617 0.36601 0.43548 0.48583 0.04552 74 5PY 0.00545 -0.68739 -0.82916 0.21544 0.08123 75 5PZ 0.04246 0.06384 0.08019 -0.07516 0.52965 76 6PX -0.13927 0.23027 0.00803 0.01470 -0.00825 77 6PY -0.10931 -0.49848 0.00805 -0.00776 0.00069 78 6PZ -0.21078 0.08203 -0.01109 -0.00698 -0.00154 79 7D 0 -0.03397 -0.04037 -0.11084 -0.00889 -0.09269 80 7D+1 0.10772 -0.00737 0.01251 0.07461 -0.06316 81 7D-1 -0.11593 -0.00040 -0.03575 0.01517 0.09518 82 7D+2 0.12379 -0.02556 -0.10695 -0.10852 0.00486 83 7D-2 -0.02954 -0.06175 -0.15872 0.07651 0.03507 84 8D 0 0.03654 0.03229 0.13541 0.01072 0.14220 85 8D+1 -0.13604 0.01530 -0.01466 -0.10732 0.11768 86 8D-1 0.15087 -0.00417 0.04472 -0.01301 -0.18501 87 8D+2 -0.15863 0.01036 0.12932 0.20094 0.00259 88 8D-2 0.04104 0.04872 0.19364 -0.14234 -0.05095 89 5 Cu 1S 0.10784 -0.10288 0.01206 0.00393 -0.06811 90 2S 0.17307 -0.19962 -0.02847 0.00663 -0.14291 91 3S -2.73565 1.22591 -1.19659 -0.19993 2.48279 92 4PX -0.00116 0.00196 -0.00035 0.00109 -0.00042 93 4PY -0.00205 -0.00438 -0.00123 0.00025 0.00132 94 4PZ -0.00384 0.00006 -0.00878 -0.00055 0.00130 95 5PX 0.01046 -0.08251 0.15519 0.34926 -0.18991 96 5PY -0.09101 0.13201 -0.20447 0.16096 0.33232 97 5PZ 0.67041 -0.29152 0.41315 0.00308 -0.36030 98 6PX -0.14259 0.02151 -0.24168 -0.03986 -0.18919 99 6PY -0.22141 -0.13924 0.51239 -0.03281 0.19388 100 6PZ 0.31923 -0.23056 0.09957 0.05879 -0.80644 101 7D 0 -0.08524 0.00671 -0.02933 -0.00591 -0.19956 102 7D+1 -0.10600 -0.03899 -0.06535 0.09325 -0.05512 103 7D-1 -0.09960 0.03980 0.09939 0.06113 0.02529 104 7D+2 0.07007 0.01181 0.04325 0.09291 0.06913 105 7D-2 0.02564 0.04056 0.09037 -0.05550 0.09658 106 8D 0 0.07729 0.01980 0.02942 0.01070 0.32132 107 8D+1 0.15118 0.06106 0.07799 -0.16071 0.10644 108 8D-1 0.14840 -0.06097 -0.11454 -0.10048 -0.07740 109 8D+2 -0.10626 -0.02319 -0.07637 -0.15132 -0.10331 110 8D-2 -0.02683 -0.06354 -0.14620 0.08868 -0.15008 111 6 Cu 1S 0.00032 0.00950 -0.02849 -0.00239 0.00140 112 2S -0.00077 -0.02704 -0.02836 -0.00369 0.00180 113 3S -0.01878 -0.16640 -1.67706 0.08702 -0.08400 114 4PX -0.01398 -0.01443 -0.01965 -0.01188 -0.00151 115 4PY -0.00851 0.02717 0.03846 -0.00555 -0.00145 116 4PZ -0.01975 -0.00190 -0.00431 0.00177 -0.01300 117 5PX 0.30724 0.41100 0.28613 0.48277 0.05303 118 5PY 0.17901 -0.72323 -0.57115 0.24004 0.07091 119 5PZ 0.42913 0.03757 0.05741 -0.07706 0.53375 120 6PX 0.36760 -0.54302 0.50844 0.38300 0.05404 121 6PY 0.28376 1.12713 -1.10908 0.21897 0.05408 122 6PZ 0.53951 -0.17700 0.16019 -0.05832 0.44472 123 7D 0 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4PZ -0.00654 -0.00881 0.04409 -0.01056 0.07884 183 5PX -0.04895 0.24153 -0.25342 -0.25187 -0.02359 184 5PY -0.05115 -0.51571 0.51576 -0.12848 -0.03792 185 5PZ -0.07404 0.07828 -0.05620 0.04343 -0.27537 186 10 O 1S 0.00030 0.01109 -0.00570 0.00035 -0.00030 187 2S 0.00101 0.05151 -0.00612 0.00113 -0.00004 188 3S -0.00922 -0.36462 0.11322 -0.00960 0.00486 189 4PX -0.01191 -0.31398 0.19837 -0.01607 0.00416 190 4PY 0.00990 0.55688 -0.39061 -0.00371 -0.00108 191 4PZ -0.00721 -0.04469 0.04951 0.00633 -0.00732 192 5PX 0.03112 0.47604 -0.21012 0.06322 -0.00597 193 5PY -0.00576 -0.84432 0.40826 0.01376 0.01191 194 5PZ 0.02950 0.06630 -0.05358 -0.01456 0.04724 151 152 153 154 155 V V V V V EIGENVALUES -- 0.74882 0.75149 0.79121 0.79637 0.79680 1 1 Cu 1S -0.01292 -0.01922 -0.00047 0.00274 -0.00634 2 2S -0.02483 -0.03684 -0.00188 -0.00299 0.01297 3 3S 0.24373 0.40273 -0.02258 -0.30361 0.87734 4 4PX 0.01139 0.00023 -0.00445 0.00093 0.00674 5 4PY -0.00075 -0.00676 -0.00161 0.00038 0.00363 6 4PZ -0.01491 0.01338 0.00943 -0.00793 0.00099 7 5PX -0.08072 -0.07505 -0.06061 -0.00411 -0.01658 8 5PY -0.01100 0.03424 -0.00638 0.08567 -0.33956 9 5PZ 0.03612 -0.08313 0.13180 0.07458 -0.02139 10 6PX 0.12068 0.14897 0.18553 0.26592 -0.42659 11 6PY -0.19961 -0.22981 0.04296 -0.05866 0.26514 12 6PZ 0.05594 -0.01997 -0.36934 -0.15111 -0.24762 13 7D 0 -0.00206 0.00070 0.03029 -0.04873 0.12188 14 7D+1 -0.04707 0.00868 0.08422 0.03311 -0.11263 15 7D-1 0.13439 -0.04382 -0.13819 -0.01726 -0.01447 16 7D+2 -0.00994 -0.08366 -0.06009 0.00415 -0.00757 17 7D-2 -0.00623 0.09050 0.04461 -0.01711 0.07950 18 8D 0 0.01484 0.01025 -0.05727 0.07797 -0.18976 19 8D+1 0.06037 -0.02262 -0.13101 -0.04579 0.16748 20 8D-1 -0.19034 0.05676 0.18433 0.01948 0.02419 21 8D+2 0.01649 0.12515 0.09105 -0.00407 -0.00808 22 8D-2 0.00967 -0.12602 -0.05516 0.02645 -0.11590 23 2 Cu 1S 0.05288 -0.00553 0.00024 0.04309 -0.00872 24 2S 0.13373 -0.01407 0.00061 0.10307 -0.02089 25 3S -0.67752 0.07086 -0.00086 -0.28754 0.05241 26 4PX -0.00878 -0.00052 -0.00374 -0.00122 0.00211 27 4PY 0.01650 -0.00278 -0.00260 0.00282 0.00075 28 4PZ -0.00211 -0.00227 -0.00643 0.00054 0.00310 29 5PX 0.07383 -0.04981 0.00703 0.00137 -0.00861 30 5PY 0.08833 -0.04139 0.00549 0.08527 -0.02231 31 5PZ -0.09082 -0.06380 0.01284 -0.03934 -0.00741 32 6PX 0.11705 -0.07782 -0.01337 -0.01188 0.04603 33 6PY -0.04593 -0.04114 -0.00857 -0.05812 0.04138 34 6PZ -0.06758 -0.10542 -0.02268 0.05094 0.05887 35 7D 0 -0.01982 0.02765 -0.23944 0.14066 0.04248 36 7D+1 -0.07663 0.03732 0.09536 -0.02871 -0.04064 37 7D-1 0.08646 -0.06969 0.03156 -0.04338 0.02522 38 7D+2 0.15523 0.02231 0.06630 0.03772 -0.04823 39 7D-2 -0.08944 -0.01975 0.12466 0.23795 -0.08104 40 8D 0 0.02879 -0.06299 0.38625 -0.23524 -0.06174 41 8D+1 0.12756 -0.04937 -0.14337 0.04093 0.06233 42 8D-1 -0.10954 0.10616 -0.06589 0.06593 -0.03699 43 8D+2 -0.22386 -0.02925 -0.09474 -0.06759 0.07519 44 8D-2 0.11933 0.04267 -0.20550 -0.39483 0.13144 45 3 Cu 1S -0.00854 0.02147 0.00033 0.00449 0.00442 46 2S -0.01683 0.04200 0.00144 -0.00945 -0.01136 47 3S 0.13584 -0.41429 0.02135 -0.63537 -0.67489 48 4PX 0.01934 0.00401 0.00930 0.00510 -0.00426 49 4PY 0.00638 0.01158 0.00499 0.00377 -0.00181 50 4PZ -0.00307 0.00147 -0.00119 0.00470 0.00622 51 5PX -0.07054 0.00248 0.13070 -0.12758 -0.07063 52 5PY -0.02205 -0.09210 0.05887 0.12647 0.20856 53 5PZ 0.03556 -0.06899 -0.00687 -0.14663 -0.16058 54 6PX 0.04648 -0.18034 -0.37222 0.31253 0.00369 55 6PY -0.16727 0.25391 -0.17982 -0.23503 -0.41620 56 6PZ -0.00773 -0.01183 0.04421 -0.22066 -0.19356 57 7D 0 0.00637 -0.03411 -0.00058 0.02818 0.02908 58 7D+1 0.05013 -0.03598 -0.00935 -0.01565 0.00682 59 7D-1 -0.00393 0.09529 0.01189 0.03523 0.05017 60 7D+2 0.12279 0.03266 0.15183 -0.08067 -0.06600 61 7D-2 -0.07201 -0.04567 -0.09681 -0.09356 -0.11578 62 8D 0 -0.01319 0.05595 -0.00271 -0.04284 -0.04323 63 8D+1 -0.06870 0.05658 0.03424 0.01857 -0.01819 64 8D-1 0.00684 -0.13664 -0.00627 -0.04174 -0.06145 65 8D+2 -0.16782 -0.05586 -0.21336 0.11935 0.10632 66 8D-2 0.10869 0.04977 0.13757 0.14903 0.17666 67 4 Cu 1S -0.00588 0.00103 0.00000 -0.00242 0.00010 68 2S -0.00834 0.00133 0.00000 -0.00260 0.00006 69 3S 0.14281 -0.02994 -0.00010 0.08352 -0.00291 70 4PX -0.00272 -0.00109 0.00010 0.00278 -0.00286 71 4PY -0.00027 -0.00110 0.00007 0.00183 -0.00193 72 4PZ 0.00132 -0.00264 0.00010 -0.00355 -0.00309 73 5PX -0.03692 -0.03338 0.00030 0.03631 -0.02115 74 5PY -0.07025 -0.01289 0.00028 -0.01552 -0.01170 75 5PZ 0.03969 -0.06310 0.00107 -0.02344 -0.02180 76 6PX 0.20478 0.09323 0.00197 0.03591 -0.03416 77 6PY 0.07915 0.07580 0.00118 0.00845 -0.02192 78 6PZ -0.11842 0.21019 0.00088 -0.03770 -0.03717 79 7D 0 0.02594 -0.09775 0.00194 -0.05716 -0.06878 80 7D+1 0.09338 -0.04827 0.00305 -0.12217 -0.04632 81 7D-1 -0.03292 0.12213 -0.00470 0.11541 0.13699 82 7D+2 -0.12188 -0.04792 0.00483 0.13525 -0.13050 83 7D-2 0.07358 0.07159 -0.00338 -0.08539 0.10414 84 8D 0 -0.04365 0.16447 -0.00329 0.09595 0.11846 85 8D+1 -0.15599 0.06404 -0.00448 0.20301 0.06317 86 8D-1 0.03553 -0.17924 0.00723 -0.17101 -0.21573 87 8D+2 0.17871 0.06363 -0.00729 -0.21426 0.19949 88 8D-2 -0.10668 -0.11496 0.00536 0.12867 -0.16793 89 5 Cu 1S -0.02392 0.05054 0.00183 -0.02931 -0.03384 90 2S -0.06171 0.12912 0.00452 -0.07313 -0.08370 91 3S 0.25909 -0.60859 -0.01065 0.13335 0.18887 92 4PX 0.00059 -0.00957 0.00665 -0.00195 0.00440 93 4PY -0.00898 0.01539 0.00376 -0.00398 -0.00138 94 4PZ 0.00020 -0.00036 -0.00066 -0.00017 -0.00050 95 5PX -0.05618 -0.04607 -0.01515 0.04663 0.01100 96 5PY -0.05401 0.02712 -0.00505 -0.03570 -0.06072 97 5PZ -0.03427 0.11342 0.00215 -0.01000 -0.02051 98 6PX -0.12628 -0.02864 0.01999 -0.07763 0.04345 99 6PY -0.03324 -0.04231 0.00785 0.00417 0.05723 100 6PZ -0.03897 0.12424 -0.00254 0.04919 0.03233 101 7D 0 -0.02995 0.05963 0.04853 -0.10367 -0.08939 102 7D+1 -0.04797 0.09117 -0.25377 0.11840 -0.02091 103 7D-1 0.07118 -0.16027 -0.12617 -0.06107 -0.14481 104 7D+2 0.06162 0.04081 0.01641 -0.04248 -0.08498 105 7D-2 -0.03630 -0.03054 -0.03511 -0.10916 -0.11753 106 8D 0 0.04756 -0.10550 -0.07759 0.16730 0.14637 107 8D+1 0.08912 -0.12034 0.40647 -0.18926 0.02809 108 8D-1 -0.08681 0.22555 0.19967 0.10237 0.23331 109 8D+2 -0.09729 -0.05592 -0.04460 0.07699 0.13954 110 8D-2 0.05492 0.05311 0.06808 0.18267 0.20114 111 6 Cu 1S 0.00500 -0.00039 0.00003 0.00268 -0.00096 112 2S 0.00939 -0.00076 0.00006 0.00479 -0.00193 113 3S -0.05803 -0.01867 -0.00102 0.01425 0.02686 114 4PX -0.01814 -0.00889 -0.00024 -0.00342 0.00410 115 4PY -0.00698 -0.00657 -0.00014 -0.00147 0.00238 116 4PZ 0.01052 -0.01961 -0.00028 0.00458 0.00493 117 5PX 0.48231 0.23070 0.01561 0.38848 -0.39784 118 5PY 0.21078 0.17165 0.01023 0.16650 -0.25659 119 5PZ -0.28999 0.51292 0.02051 -0.46341 -0.44339 120 6PX 0.08787 0.09252 -0.00359 -0.13595 0.12187 121 6PY 0.05189 0.05838 -0.00270 -0.06963 0.08309 122 6PZ -0.04816 0.18145 -0.00633 0.16269 0.13251 123 7D 0 0.03070 -0.13137 0.00374 -0.05928 -0.09616 124 7D+1 0.12554 0.01816 -0.00442 -0.08464 0.10308 125 7D-1 0.04597 0.03860 0.00122 -0.11751 -0.01879 126 7D+2 -0.05140 0.01836 -0.00310 -0.01069 0.08007 127 7D-2 0.01508 0.07227 -0.00117 0.05701 0.02694 128 8D 0 -0.05198 0.21805 -0.00552 0.09047 0.14561 129 8D+1 -0.20851 -0.00862 0.00688 0.12919 -0.16050 130 8D-1 -0.05271 -0.09671 -0.00225 0.18395 0.03275 131 8D+2 0.11499 -0.00856 0.00502 0.01803 -0.12650 132 8D-2 -0.04719 -0.12594 0.00158 -0.08894 -0.03938 133 7 Cu 1S -0.03415 -0.04451 -0.00209 -0.01234 0.04331 134 2S -0.08779 -0.11360 -0.00521 -0.03095 0.10657 135 3S 0.39321 0.55610 0.01224 0.04315 -0.25899 136 4PX 0.00495 0.00886 -0.00298 -0.00112 -0.00271 137 4PY -0.01025 -0.01327 -0.00122 -0.00123 0.00304 138 4PZ 0.00437 -0.00001 0.00701 0.00422 0.00084 139 5PX 0.04046 0.12133 0.00870 0.02341 -0.06446 140 5PY 0.00088 0.02506 -0.00018 -0.01621 0.04806 141 5PZ 0.08660 0.00098 -0.01400 -0.02304 -0.02589 142 6PX -0.00700 0.10244 -0.01087 -0.06524 0.04607 143 6PY 0.05685 0.08674 -0.00195 -0.00598 -0.01278 144 6PZ 0.12512 -0.02973 0.02114 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-0.00008 -0.00124 68 2S 0.04343 0.00008 -0.00109 -0.00017 -0.00227 69 3S 2.15048 0.00933 -0.03125 0.00023 0.01610 70 4PX -0.00731 0.00129 0.00382 -0.00001 -0.00220 71 4PY 0.01438 0.00109 0.00161 -0.00003 -0.00151 72 4PZ -0.00168 0.00327 -0.00211 -0.00025 -0.00462 73 5PX 0.33652 -0.05053 -0.12795 0.00191 0.03734 74 5PY -0.65347 -0.04196 -0.05099 0.00158 0.02250 75 5PZ 0.07396 -0.12666 0.06933 0.00524 0.07724 76 6PX 0.10585 0.06802 0.18373 -0.00098 -0.10566 77 6PY -0.14767 0.05019 0.09525 -0.00168 -0.08065 78 6PZ -0.00475 0.16584 -0.10704 -0.01087 -0.22792 79 7D 0 0.00604 -0.36173 0.07264 0.00657 -0.00432 80 7D+1 0.00424 0.10825 0.36613 -0.00665 -0.02824 81 7D-1 0.00742 -0.01335 0.22740 0.00062 0.04569 82 7D+2 0.00586 0.12472 -0.02500 -0.00227 -0.02915 83 7D-2 0.00171 0.17781 -0.04028 -0.00370 0.01128 84 8D 0 -0.03001 0.65878 -0.13269 -0.01195 0.00584 85 8D+1 -0.00464 -0.18937 -0.66721 0.01200 0.05586 86 8D-1 -0.01871 0.01224 -0.40576 -0.00086 -0.08873 87 8D+2 -0.02957 -0.21981 0.05751 0.00388 0.05751 88 8D-2 -0.03118 -0.32585 0.06502 0.00684 -0.02088 89 5 Cu 1S 0.09442 -0.03019 0.01163 0.00114 0.05544 90 2S 0.17837 -0.00299 -0.00146 0.00096 0.07033 91 3S -2.59015 1.59166 -0.65671 -0.04201 -1.50483 92 4PX -0.00238 0.00378 0.00359 0.00257 -0.00107 93 4PY 0.00188 0.00039 0.00209 0.00131 -0.00151 94 4PZ -0.01598 0.01466 -0.00668 -0.00068 -0.01203 95 5PX -0.08640 -0.18687 -0.01206 -0.11870 0.07060 96 5PY 0.26059 0.16792 -0.11806 -0.06514 0.08685 97 5PZ 0.60993 -0.56858 0.24957 0.02780 0.53175 98 6PX -0.03994 0.05577 0.13478 0.11436 0.04893 99 6PY 0.20328 0.03160 0.05222 0.05227 -0.23468 100 6PZ 0.52991 -0.03584 -0.01549 -0.01392 -0.10471 101 7D 0 0.10798 0.05149 -0.02298 -0.00733 -0.01896 102 7D+1 0.02374 0.00672 -0.00594 0.04977 -0.05779 103 7D-1 -0.03425 0.01653 -0.01896 -0.00145 0.10968 104 7D+2 0.06943 -0.11962 -0.10165 -0.24287 -0.05705 105 7D-2 0.10753 -0.07158 0.11356 0.16815 -0.26689 106 8D 0 -0.19782 -0.07164 0.03328 0.01566 0.02737 107 8D+1 -0.03208 -0.00674 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7D-2 0.01478 -0.06215 -0.00806 0.00027 -0.00470 128 8D 0 -0.09747 -0.24043 0.05277 0.00474 -0.06151 129 8D+1 0.02218 0.06303 0.23928 -0.00212 0.11243 130 8D-1 -0.04212 0.00634 0.11902 -0.00685 -0.13420 131 8D+2 -0.11319 0.07366 -0.05174 -0.00170 0.11544 132 8D-2 -0.13642 0.11818 0.00967 -0.00074 0.00726 133 7 Cu 1S 0.09285 0.02632 0.02012 -0.00071 -0.05241 134 2S 0.17482 0.00416 -0.00011 -0.00006 -0.06796 135 3S -2.58062 -1.35867 -1.09293 0.03751 1.40959 136 4PX 0.01062 0.00718 0.00904 -0.00156 -0.00860 137 4PY 0.01072 0.00733 0.00639 -0.00063 -0.00531 138 4PZ 0.00608 0.00831 0.00058 0.00264 -0.00533 139 5PX -0.59854 -0.23124 -0.24044 0.06410 0.36257 140 5PY -0.10285 -0.41647 -0.35560 0.02963 0.21998 141 5PZ -0.27331 -0.23084 -0.07927 -0.11972 0.27548 142 6PX -0.49783 -0.06661 0.05990 -0.05411 -0.15022 143 6PY -0.12100 -0.03051 -0.00615 -0.01570 0.13565 144 6PZ -0.25823 0.08737 -0.10826 0.11817 -0.12296 145 7D 0 0.05801 0.07379 0.07359 -0.08415 0.19260 146 7D+1 -0.00752 -0.11043 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0.11923 10 6PX 0.50441 0.74222 0.07397 0.38715 0.13605 11 6PY 0.21841 -0.52601 -0.51331 -0.17000 0.11449 12 6PZ -0.32059 -0.25896 0.76022 0.07523 0.05826 13 7D 0 -0.05837 -0.09694 0.08762 -0.08699 -0.05914 14 7D+1 0.08072 0.06902 0.13433 -0.00571 0.04125 15 7D-1 -0.03088 -0.09797 0.12424 0.01827 0.03934 16 7D+2 -0.03914 0.17021 0.08114 -0.13774 -0.04346 17 7D-2 0.02526 0.04434 -0.07819 -0.02149 0.03377 18 8D 0 0.11154 0.15333 -0.15666 0.19142 0.11973 19 8D+1 -0.13835 -0.09672 -0.22443 -0.00147 -0.05976 20 8D-1 0.07164 0.15564 -0.18921 -0.03390 -0.06362 21 8D+2 0.07476 -0.28569 -0.12528 0.27798 0.11619 22 8D-2 -0.05337 -0.06927 0.12807 0.07097 -0.02643 23 2 Cu 1S 0.06486 0.00260 -0.02835 -0.04530 -0.08629 24 2S 0.08910 0.00666 -0.06992 -0.09519 -0.20798 25 3S -1.67597 -0.01143 0.08957 0.94076 -0.53406 26 4PX -0.01009 -0.00647 -0.00359 0.00565 -0.00328 27 4PY -0.00419 -0.00558 0.00920 0.01281 -0.01136 28 4PZ 0.00724 -0.01124 -0.00299 -0.00877 0.00655 29 5PX 0.42416 0.07640 0.08293 -0.08560 0.05503 30 5PY 0.23257 0.06845 -0.17351 0.06162 0.50217 31 5PZ -0.32550 0.14364 0.03636 0.02800 -0.23635 32 6PX 0.00764 -0.24869 -0.11771 -0.37469 0.00490 33 6PY -0.20297 -0.22600 0.52093 0.13657 0.14061 34 6PZ 0.05402 -0.44479 -0.19406 0.15364 -0.06198 35 7D 0 -0.13807 -0.03571 0.00603 0.09468 -0.05022 36 7D+1 -0.06360 0.10574 0.04554 0.12742 -0.00628 37 7D-1 -0.19213 -0.13497 0.07217 0.05986 -0.14992 38 7D+2 -0.16935 0.12021 0.05202 -0.00512 -0.16444 39 7D-2 -0.09311 -0.01696 -0.05531 0.07585 0.03371 40 8D 0 0.26100 0.05538 -0.01154 -0.18405 0.09702 41 8D+1 0.12760 -0.18561 -0.07696 -0.22006 0.01840 42 8D-1 0.34501 0.24089 -0.12466 -0.09988 0.30212 43 8D+2 0.29789 -0.21179 -0.09232 0.00007 0.32344 44 8D-2 0.18788 0.03486 0.09393 -0.16725 -0.07633 45 3 Cu 1S 0.03214 0.00005 0.00090 0.02337 0.05847 46 2S 0.03419 -0.00478 0.00337 -0.02955 0.03189 47 3S -0.89920 -0.38057 0.11169 -2.81158 -1.85938 48 4PX 0.00306 0.00344 0.00362 0.00138 0.00683 49 4PY -0.00601 -0.00121 0.00421 0.00172 -0.00841 50 4PZ 0.00207 -0.00051 0.00049 0.02468 0.02080 51 5PX 0.25594 0.20253 0.12986 -0.14996 -0.23753 52 5PY 0.29580 -0.18895 0.20590 0.16265 0.35710 53 5PZ -0.26050 -0.19026 0.05947 -0.64708 -0.38199 54 6PX 0.48509 -0.72307 -0.49904 0.18105 -0.00330 55 6PY 0.22655 0.63246 -0.75038 -0.28632 0.00881 56 6PZ -0.31811 0.21827 -0.00604 -0.23204 -0.18184 57 7D 0 0.03927 -0.11322 0.01561 -0.02155 0.06316 58 7D+1 0.01042 0.14855 0.14151 0.05801 0.03553 59 7D-1 -0.01453 -0.12173 0.17352 -0.11586 -0.03863 60 7D+2 -0.08847 0.06472 0.05619 -0.05581 -0.02673 61 7D-2 -0.00605 0.00574 -0.03448 -0.09377 -0.04703 62 8D 0 -0.07117 0.17564 -0.01809 0.05206 -0.07476 63 8D+1 -0.00438 -0.24800 -0.23841 -0.11372 -0.07279 64 8D-1 0.03865 0.19759 -0.28514 0.21855 0.09196 65 8D+2 0.17070 -0.09273 -0.07830 0.12963 0.06371 66 8D-2 0.00415 -0.00712 0.04243 0.21499 0.11159 67 4 Cu 1S 0.00418 0.00365 -0.01086 -0.16656 -0.12029 68 2S 0.00911 0.00676 -0.02105 -0.29447 -0.23676 69 3S -0.01611 -0.07304 0.18878 4.05342 1.72598 70 4PX -0.00290 0.00596 0.01046 -0.01386 -0.00448 71 4PY -0.00137 0.00390 0.00617 0.02446 0.00815 72 4PZ 0.00197 0.01196 -0.00724 -0.00165 -0.00074 73 5PX 0.04468 -0.10265 -0.15864 0.50106 0.14993 74 5PY 0.02163 -0.05436 -0.12108 -0.91249 -0.28430 75 5PZ -0.03114 -0.19665 0.11960 0.07762 0.03015 76 6PX -0.15175 0.23704 0.47863 0.26053 0.22191 77 6PY -0.06859 0.18905 0.18906 -0.54232 -0.41225 78 6PZ 0.10104 0.49952 -0.29762 0.08384 0.03777 79 7D 0 0.01318 -0.11332 0.02718 0.10240 0.11435 80 7D+1 0.04933 0.10791 0.08912 -0.01620 -0.01553 81 7D-1 0.00172 -0.10226 0.14002 0.01860 0.03048 82 7D+2 -0.03699 0.10749 0.09094 0.09940 0.11020 83 7D-2 0.01829 0.02983 -0.07794 0.16012 0.16679 84 8D 0 -0.02406 0.20494 -0.05035 -0.21042 -0.22836 85 8D+1 -0.08856 -0.18956 -0.16069 0.03289 0.03097 86 8D-1 0.00411 0.17686 -0.24778 -0.04056 -0.06135 87 8D+2 0.07476 -0.18822 -0.15942 -0.20444 -0.22042 88 8D-2 -0.03946 -0.05466 0.13461 -0.32656 -0.33273 89 5 Cu 1S -0.02063 -0.01302 0.00277 -0.05204 -0.08869 90 2S -0.02411 -0.03908 0.01081 -0.10743 -0.21435 91 3S 0.56522 -0.12852 0.11722 1.07279 -0.51719 92 4PX -0.00125 -0.00935 -0.00928 -0.00369 0.00407 93 4PY -0.00059 0.00466 -0.00919 0.01080 -0.00925 94 4PZ 0.00470 0.00004 0.00193 0.01345 -0.00921 95 5PX 0.10018 0.14404 0.08907 -0.04290 -0.19737 96 5PY 0.03302 -0.10729 0.14535 0.04816 0.42176 97 5PZ -0.22384 0.03605 -0.03538 -0.10750 0.30941 98 6PX -0.17273 -0.40763 -0.33970 -0.16056 -0.06198 99 6PY 0.00667 0.29632 -0.42346 0.27226 0.15276 100 6PZ 0.08564 0.18638 -0.06526 -0.32726 0.06705 101 7D 0 0.01895 -0.03943 -0.00251 -0.09157 -0.02580 102 7D+1 -0.01935 0.06409 0.04591 -0.04473 -0.08089 103 7D-1 -0.04678 -0.05056 0.09505 0.01169 0.16858 104 7D+2 0.26091 0.07467 0.12808 0.09001 -0.09438 105 7D-2 -0.03354 -0.04391 -0.08918 0.14156 -0.10229 106 8D 0 -0.03279 0.06587 0.00423 0.14168 0.04097 107 8D+1 0.04473 -0.11027 -0.07448 0.08759 0.16232 108 8D-1 0.07761 0.08951 -0.16461 -0.03802 -0.34046 109 8D+2 -0.48416 -0.13047 -0.22824 -0.17382 0.18551 110 8D-2 0.06138 0.08171 0.15815 -0.27402 0.19977 111 6 Cu 1S -0.00551 -0.00139 0.00341 0.07364 -0.05990 112 2S -0.00799 -0.00499 0.01383 0.24698 0.15966 113 3S 0.29641 0.01038 -0.06115 0.46010 6.05461 114 4PX -0.02241 -0.00088 0.00142 0.02365 0.01309 115 4PY -0.01370 0.00005 -0.00009 -0.04446 -0.02434 116 4PZ 0.01561 -0.00173 -0.00048 0.00455 0.00203 117 5PX 0.90760 -0.07819 -0.32506 -1.25586 -0.54573 118 5PY 0.45037 -0.11427 -0.01391 2.42620 1.02806 119 5PZ -0.59355 -0.18405 0.15254 -0.27957 -0.09845 120 6PX 0.20567 0.25023 0.47011 -0.01401 -0.33131 121 6PY 0.12111 0.18424 0.23108 0.01492 0.53130 122 6PZ -0.13315 0.52316 -0.31178 0.01290 -0.01471 123 7D 0 -0.00849 0.02179 -0.01647 -0.07714 0.04436 124 7D+1 -0.05558 0.09665 -0.01884 0.01461 -0.00644 125 7D-1 -0.09655 -0.15332 0.11485 -0.03141 0.01111 126 7D+2 -0.06216 0.10327 0.14706 -0.08267 0.04248 127 7D-2 0.06759 -0.04123 -0.12066 -0.10831 0.06626 128 8D 0 0.01060 -0.05309 0.03646 0.17570 -0.12695 129 8D+1 0.08812 -0.17519 0.04753 -0.03363 0.01815 130 8D-1 0.14082 0.28542 -0.20350 0.06740 -0.03342 131 8D+2 0.08184 -0.18848 -0.27006 0.18692 -0.12210 132 8D-2 -0.10163 0.08132 0.22521 0.25004 -0.18731 133 7 Cu 1S -0.02948 0.01563 0.00642 -0.04993 -0.08870 134 2S -0.03585 0.04319 0.01959 -0.10314 -0.21395 135 3S 0.80184 0.05239 0.10502 1.03733 -0.51871 136 4PX -0.00537 0.00777 -0.00234 -0.01555 0.01229 137 4PY -0.00368 -0.00561 -0.00614 0.00221 -0.00347 138 4PZ -0.00121 -0.00611 0.01071 -0.00754 0.00492 139 5PX 0.27836 -0.09820 0.00656 0.03258 -0.48012 140 5PY 0.15237 0.12552 0.12458 0.10765 0.22141 141 5PZ 0.02192 0.08350 -0.12758 0.03973 -0.17746 142 6PX -0.17627 0.45582 0.07372 0.09378 -0.13432 143 6PY 0.02672 -0.24001 -0.22824 0.42734 0.09826 144 6PZ 0.08045 -0.17842 0.49365 0.08167 -0.05929 145 7D 0 0.04389 -0.02162 0.01142 0.13900 -0.07296 146 7D+1 -0.19214 0.06726 0.01079 -0.11186 0.10569 147 7D-1 0.17452 -0.11151 0.13283 -0.05396 -0.06253 148 7D+2 0.06835 0.04362 0.08275 0.05460 0.11289 149 7D-2 0.06713 0.04034 -0.08099 0.01242 -0.14529 150 8D 0 -0.08281 0.03215 -0.01673 -0.26136 0.14432 151 8D+1 0.35605 -0.11844 -0.01374 0.19312 -0.21530 152 8D-1 -0.31709 0.19754 -0.23267 0.09304 0.12179 153 8D+2 -0.14065 -0.07359 -0.14774 -0.12546 -0.23257 154 8D-2 -0.11822 -0.06953 0.14198 -0.04354 0.28136 155 8 Cu 1S -0.07565 -0.00050 0.00729 0.02101 0.06184 156 2S -0.08616 0.00026 -0.00121 -0.03157 0.03541 157 3S 2.13869 0.07817 -0.81496 -2.67586 -1.96977 158 4PX -0.00944 0.00263 0.00345 0.01831 0.02113 159 4PY 0.01275 0.00197 -0.00378 0.00831 -0.00393 160 4PZ 0.00053 0.00520 -0.00005 -0.01401 -0.01078 161 5PX 0.53612 0.12193 -0.11841 -0.56119 -0.49371 162 5PY -0.13907 0.10464 -0.26492 0.03982 0.27587 163 5PZ -0.21584 0.17748 0.20300 0.31056 0.17640 164 6PX 0.46187 -0.36887 -0.31053 -0.00271 -0.17159 165 6PY 0.25388 -0.34148 0.87343 -0.44732 -0.02698 166 6PZ -0.31100 -0.64570 -0.26989 0.16082 0.11017 167 7D 0 0.07499 -0.15805 -0.02824 -0.07439 -0.03855 168 7D+1 0.11571 0.10432 0.06943 -0.03438 -0.07552 169 7D-1 0.06772 -0.05757 0.14120 0.02067 -0.01326 170 7D+2 -0.01221 0.09139 0.08144 0.01480 0.03666 171 7D-2 0.04877 0.07581 -0.14847 -0.12361 -0.03294 172 8D 0 -0.13371 0.26728 0.05715 0.16485 0.08808 173 8D+1 -0.20027 -0.16532 -0.09970 0.06973 0.11893 174 8D-1 -0.11588 0.07781 -0.22569 -0.02922 0.01291 175 8D+2 0.02439 -0.14063 -0.13329 -0.00790 -0.04932 176 8D-2 -0.09107 -0.13441 0.25042 0.26506 0.10291 177 9 C 1S -0.00259 -0.00023 0.00200 -0.00180 -0.00480 178 2S 0.05783 0.01549 -0.05389 -0.58220 0.68285 179 3S -0.08190 -0.04261 0.13438 1.95102 -1.04947 180 4PX -0.03442 0.02122 0.03287 -0.18459 0.16140 181 4PY -0.02364 0.01043 0.02545 0.34901 -0.30803 182 4PZ 0.02524 0.03964 -0.02464 -0.03516 0.03262 183 5PX -0.24930 0.10267 0.21530 -0.13467 -0.13522 184 5PY -0.12017 0.06832 0.12087 0.30437 0.18990 185 5PZ 0.16304 0.20320 -0.14492 -0.05222 0.00182 186 10 O 1S 0.00062 -0.00001 -0.00060 -0.00127 -0.00047 187 2S 0.00079 0.00124 0.00187 -0.07311 0.11593 188 3S -0.00327 0.00062 -0.00516 0.07368 -0.10570 189 4PX -0.02525 0.04446 0.08581 -0.07688 0.03671 190 4PY -0.02418 0.02922 0.05376 0.18346 -0.11986 191 4PZ 0.02104 0.08953 -0.06035 -0.03158 0.02894 192 5PX 0.12784 -0.10730 -0.22491 -0.00051 0.12696 193 5PY 0.05561 -0.07812 -0.11179 -0.04891 -0.16109 194 5PZ -0.08190 -0.21987 0.14728 0.02223 -0.00941 166 167 168 169 170 V V V V V EIGENVALUES -- 0.99734 1.05829 1.05855 1.06013 1.06017 1 1 Cu 1S -0.03043 0.02691 -0.00839 0.00699 -0.06218 2 2S -0.13796 0.07251 -0.01880 0.01211 -0.11983 3 3S -1.46234 -0.04701 0.08101 -0.14004 1.05331 4 4PX 0.00658 0.00977 0.00425 0.00700 0.01227 5 4PY -0.00513 -0.00780 0.00382 0.00134 0.01681 6 4PZ 0.00138 -0.00025 -0.00965 -0.02207 0.00532 7 5PX 0.01840 -0.26102 -0.06368 0.01450 -0.20117 8 5PY 0.80806 0.18438 -0.07082 0.00601 -0.18921 9 5PZ 0.11827 -0.04849 0.19566 0.08523 -0.12344 10 6PX 0.36279 0.01735 -0.04985 0.05426 -0.19068 11 6PY 0.00649 0.00056 -0.02163 0.02747 -0.14467 12 6PZ 0.13661 0.01303 0.06500 -0.04509 -0.12100 13 7D 0 -0.08480 -0.10085 0.07490 0.11899 0.08345 14 7D+1 -0.00203 0.10092 0.05621 0.15722 -0.07036 15 7D-1 -0.02109 -0.00123 -0.07389 -0.08475 -0.09693 16 7D+2 -0.10395 -0.05425 -0.04187 -0.09457 0.01525 17 7D-2 -0.12354 -0.05520 0.01306 0.03610 -0.12983 18 8D 0 0.21172 0.19408 -0.13913 -0.22276 -0.17016 19 8D+1 -0.01533 -0.18931 -0.10187 -0.30938 0.14701 20 8D-1 0.01843 0.00136 0.13867 0.19310 0.19876 21 8D+2 0.25432 0.11061 0.07545 0.18804 -0.02738 22 8D-2 0.23468 0.10164 -0.02337 -0.08442 0.25780 23 2 Cu 1S 0.09574 -0.00621 0.01837 0.00594 -0.00390 24 2S 0.18545 -0.01957 0.04664 -0.03661 0.01166 25 3S -0.05637 0.06052 -0.14681 0.09741 -0.02845 26 4PX -0.00433 -0.00709 -0.00111 0.01056 0.00003 27 4PY 0.00807 -0.00201 -0.01097 -0.00648 0.00652 28 4PZ -0.00069 -0.01368 -0.00112 0.00175 0.00690 29 5PX 0.12550 0.12874 0.00554 -0.02690 -0.04514 30 5PY 0.14615 0.01569 0.21532 0.07555 -0.08638 31 5PZ -0.13417 0.21743 0.01139 -0.08701 -0.06211 32 6PX -0.14751 0.00841 0.00984 -0.06475 0.06986 33 6PY 0.17089 -0.01681 0.07049 -0.01675 0.03286 34 6PZ 0.01767 0.03894 -0.01273 0.08188 0.04282 35 7D 0 -0.06633 -0.22727 0.04360 0.12308 0.07527 36 7D+1 -0.18255 0.02355 0.02154 0.09782 -0.04721 37 7D-1 -0.10790 0.09746 0.04723 -0.03155 -0.07367 38 7D+2 0.03313 -0.03821 0.05991 -0.04669 0.03453 39 7D-2 0.02023 0.06415 0.19970 0.03736 -0.11448 40 8D 0 0.13068 0.47583 -0.09715 -0.25898 -0.16228 41 8D+1 0.39950 -0.03594 -0.04877 -0.18797 0.09025 42 8D-1 0.23560 -0.21261 -0.11319 0.06044 0.16406 43 8D+2 -0.08152 0.09088 -0.12743 0.07065 -0.06416 44 8D-2 -0.06804 -0.13733 -0.41700 -0.07356 0.24215 45 3 Cu 1S -0.03024 -0.01369 -0.01586 0.05184 0.03964 46 2S -0.13824 -0.03986 -0.04610 0.10122 0.07733 47 3S -1.48367 -0.03386 -0.04645 -0.84937 -0.65544 48 4PX 0.00416 -0.00905 0.00130 0.01707 -0.01377 49 4PY -0.00708 0.00323 0.01002 0.00214 -0.01270 50 4PZ -0.00250 0.00371 0.00304 0.01494 0.01397 51 5PX -0.34094 0.22422 -0.01947 -0.09195 0.03240 52 5PY 0.56107 -0.09710 -0.26798 0.00908 0.06323 53 5PZ -0.49994 -0.10592 -0.09852 -0.22848 -0.18566 54 6PX 0.08910 0.05643 -0.05657 0.01572 -0.05555 55 6PY -0.19287 0.03755 -0.02177 0.01074 -0.02543 56 6PZ -0.33583 -0.01040 -0.00230 -0.21885 -0.16136 57 7D 0 -0.09461 -0.00228 -0.01135 0.13312 0.12700 58 7D+1 0.02038 -0.03662 0.01440 0.12477 -0.06329 59 7D-1 -0.04449 -0.01290 -0.00073 -0.00906 -0.06443 60 7D+2 -0.08108 0.11360 0.01684 -0.11378 0.12068 61 7D-2 -0.12616 0.03911 0.13117 0.04795 -0.12489 62 8D 0 0.16200 0.00357 0.01941 -0.27255 -0.25364 63 8D+1 -0.07002 0.06977 -0.02273 -0.23534 0.10813 64 8D-1 0.12724 0.01908 -0.00432 0.02443 0.11630 65 8D+2 0.18431 -0.20956 -0.03630 0.23763 -0.25039 66 8D-2 0.29105 -0.07925 -0.24597 -0.09714 0.25663 67 4 Cu 1S 0.03883 0.00002 -0.00062 0.00052 0.00011 68 2S 0.13035 0.00001 -0.00063 0.00047 0.00004 69 3S 1.42253 0.00172 -0.01038 0.00939 0.00214 70 4PX -0.00285 0.00894 -0.00653 -0.00621 0.00878 71 4PY 0.00517 0.00565 -0.00281 -0.00215 0.00532 72 4PZ -0.00048 0.00799 0.01177 0.00872 0.00545 73 5PX 0.18367 -0.17488 0.12806 0.09304 -0.13238 74 5PY -0.34068 -0.10953 0.05303 0.03321 -0.07912 75 5PZ 0.03267 -0.15228 -0.22303 -0.12485 -0.07757 76 6PX 0.02682 0.00991 -0.00701 -0.02314 0.03593 77 6PY -0.05469 0.00605 0.00047 -0.01050 0.02143 78 6PZ 0.00817 0.01280 0.01656 0.03936 0.02619 79 7D 0 -0.03557 0.09834 0.09822 0.13159 0.13965 80 7D+1 0.00680 -0.00686 0.13230 0.17848 -0.09263 81 7D-1 -0.00795 -0.10334 -0.08032 -0.01791 -0.11462 82 7D+2 -0.03548 0.08820 -0.09757 -0.11024 0.08181 83 7D-2 -0.05417 -0.10670 0.01922 0.00794 -0.13663 84 8D 0 0.04947 -0.20971 -0.20926 -0.28056 -0.29865 85 8D+1 -0.01065 0.01994 -0.27838 -0.37917 0.20213 86 8D-1 0.01036 0.21449 0.16029 0.03029 0.24153 87 8D+2 0.05002 -0.17891 0.20292 0.23152 -0.16633 88 8D-2 0.07649 0.22316 -0.03646 -0.01215 0.28773 89 5 Cu 1S 0.08506 -0.01364 -0.01665 -0.00304 -0.00347 90 2S 0.16429 -0.03197 -0.03849 0.03654 0.02565 91 3S 0.07185 0.10680 0.13484 -0.11315 -0.07122 92 4PX -0.00411 -0.01444 0.00551 -0.00817 0.00176 93 4PY 0.00712 -0.00007 0.01278 0.00485 0.00807 94 4PZ -0.00046 0.00322 0.00154 -0.00480 -0.00438 95 5PX -0.02796 0.24173 -0.07440 0.07609 -0.04077 96 5PY 0.09337 -0.02401 -0.23110 -0.02851 -0.07569 97 5PZ 0.17754 -0.06214 -0.03941 -0.03699 -0.02123 98 6PX -0.12025 0.03390 0.00426 -0.03949 0.06563 99 6PY 0.19376 -0.02341 -0.05140 -0.02027 0.03568 100 6PZ -0.07981 -0.02087 -0.02305 0.09765 0.06206 101 7D 0 0.18363 -0.07452 -0.03462 0.06277 0.06791 102 7D+1 0.02619 0.18689 -0.09570 0.11077 -0.03762 103 7D-1 0.03888 0.03003 -0.11355 -0.03198 -0.07766 104 7D+2 -0.06813 -0.15778 -0.01178 -0.07356 0.03289 105 7D-2 -0.09193 -0.02733 -0.20062 -0.01562 -0.09055 106 8D 0 -0.41334 0.15225 0.06951 -0.11169 -0.12814 107 8D+1 -0.05192 -0.38538 0.19963 -0.22322 0.09105 108 8D-1 -0.09261 -0.06527 0.22687 0.04980 0.15138 109 8D+2 0.13527 0.34733 0.02021 0.16077 -0.07049 110 8D-2 0.18046 0.05493 0.43373 0.03190 0.19448 111 6 Cu 1S 0.09849 -0.00057 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8D+2 0.13083 0.03477 -0.14253 0.15976 -0.06677 132 8D-2 0.18589 -0.19564 -0.02682 0.03101 0.20374 133 7 Cu 1S 0.08736 0.02054 -0.00258 -0.00121 0.00659 134 2S 0.16904 0.05323 -0.01065 0.00410 -0.03900 135 3S 0.04276 -0.17075 0.03659 -0.01673 0.10726 136 4PX -0.00425 0.00874 0.00496 -0.00405 0.00086 137 4PY 0.00723 -0.00580 0.00257 0.00083 -0.01287 138 4PZ -0.00047 0.00073 -0.01483 0.00803 0.00093 139 5PX -0.18767 -0.16730 -0.08120 0.06448 -0.08134 140 5PY -0.01897 0.13220 -0.05639 -0.00011 0.06018 141 5PZ -0.09197 -0.01651 0.23617 -0.09780 -0.06150 142 6PX -0.06475 -0.06678 0.00374 -0.04268 0.07610 143 6PY 0.22794 0.02771 -0.00674 -0.02216 0.06131 144 6PZ 0.01545 -0.01479 0.03997 0.06868 0.05251 145 7D 0 -0.12274 0.09702 -0.18061 0.08538 0.12217 146 7D+1 0.15917 -0.04140 -0.16977 0.11971 -0.02945 147 7D-1 0.06654 0.00831 0.01315 -0.01999 -0.06603 148 7D+2 0.02708 0.14214 0.07799 -0.08322 0.08174 149 7D-2 0.06266 0.13068 0.00419 -0.01006 -0.04266 150 8D 0 0.25412 -0.21223 0.37915 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0.11035 0.04525 -0.04871 -0.06056 15 7D-1 0.02785 -0.02193 -0.07562 -0.18508 -0.03410 16 7D+2 0.03506 0.15215 0.06417 -0.03880 0.14763 17 7D-2 0.11957 -0.03690 0.06972 0.07742 0.03695 18 8D 0 -0.15273 0.12975 0.14362 0.16832 -0.15936 19 8D+1 0.08720 -0.32462 -0.16713 0.11535 0.15864 20 8D-1 -0.06130 0.06580 0.20638 0.55789 0.07738 21 8D+2 -0.04141 -0.40648 -0.17009 0.13110 -0.36869 22 8D-2 -0.23724 0.14182 -0.22872 -0.20864 -0.09498 23 2 Cu 1S 0.00986 0.09509 0.15748 0.10754 -0.01280 24 2S 0.02235 0.13527 0.16630 0.11365 -0.00702 25 3S -0.08253 -1.73611 -3.67953 -2.51366 0.14365 26 4PX -0.00532 -0.01474 -0.03432 -0.01922 0.00327 27 4PY -0.01000 0.00518 -0.01183 -0.00530 -0.01945 28 4PZ 0.00702 0.00649 0.01975 0.02070 0.00581 29 5PX 0.10688 0.59057 1.32971 0.74836 -0.06657 30 5PY 0.18631 -0.19629 0.11658 -0.03386 0.13544 31 5PZ -0.13558 -0.25987 -0.62892 -0.70311 -0.01422 32 6PX -0.05520 0.00506 0.25229 0.34033 -0.06609 33 6PY 0.02176 0.44453 -0.19585 -0.01614 0.01941 34 6PZ 0.02448 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0.09552 -0.17088 0.08328 0.00829 134 2S 0.01045 0.13355 -0.17859 0.08787 0.00796 135 3S -0.05608 -1.79034 3.99449 -1.93731 -0.06126 136 4PX 0.01232 0.00539 -0.03389 0.01330 -0.01289 137 4PY -0.00106 0.01590 -0.02516 0.01088 0.00625 138 4PZ 0.00523 0.00478 -0.01563 0.01484 0.00553 139 5PX -0.23147 -0.21711 0.99256 -0.35266 0.09748 140 5PY 0.00441 -0.63536 1.16786 -0.52315 -0.05814 141 5PZ -0.09818 -0.18768 0.48445 -0.50673 -0.07052 142 6PX 0.01943 -0.39778 0.03852 -0.14887 -0.05077 143 6PY 0.05248 0.22970 0.37153 -0.22954 -0.04745 144 6PZ 0.02406 -0.14612 0.21044 0.18681 0.06783 145 7D 0 0.05042 -0.04727 0.11043 0.00428 0.02297 146 7D+1 0.05477 0.00793 -0.10373 0.08802 -0.04140 147 7D-1 0.04220 0.05675 -0.09872 0.10012 0.05055 148 7D+2 0.14538 -0.09552 0.01357 -0.02375 -0.03968 149 7D-2 0.15921 0.06536 -0.20176 0.06206 -0.01896 150 8D 0 -0.11754 0.10373 -0.28426 -0.00333 -0.05279 151 8D+1 -0.11656 -0.00722 0.26681 -0.21121 0.09364 152 8D-1 -0.09358 -0.14865 0.24776 -0.27727 -0.12906 153 8D+2 -0.32245 0.24459 -0.05453 0.06015 0.09159 154 8D-2 -0.35603 -0.18729 0.52280 -0.15408 0.04807 155 8 Cu 1S -0.00671 0.01731 0.02365 0.01694 -0.07491 156 2S -0.04967 0.08170 0.16693 0.11646 -0.18821 157 3S -0.59431 0.38367 1.19400 0.81703 0.03462 158 4PX 0.00505 0.00013 -0.00504 -0.01345 0.02146 159 4PY 0.01715 -0.01652 0.00805 -0.00135 -0.02173 160 4PZ -0.00978 0.00655 0.01158 -0.00895 -0.00402 161 5PX -0.23289 0.49938 1.01501 -0.15316 -0.33259 162 5PY -0.02625 -1.16887 0.78513 -0.05716 0.19087 163 5PZ 0.14775 0.18932 0.11282 -1.38842 0.11850 164 6PX -0.07006 0.36718 0.59648 -0.11537 0.16230 165 6PY -0.10683 -0.88573 0.42886 -0.07242 -0.19418 166 6PZ 0.08777 0.14821 0.10781 -0.82358 -0.02200 167 7D 0 0.06894 -0.00506 0.06100 -0.09782 -0.17399 168 7D+1 -0.00748 -0.04506 -0.03112 0.13584 -0.11869 169 7D-1 0.05342 -0.13388 0.10217 -0.05245 0.01401 170 7D+2 0.09684 -0.08697 -0.07173 0.10644 0.02421 171 7D-2 0.07674 0.10574 -0.06700 -0.01416 -0.26670 172 8D 0 -0.12828 0.04532 -0.15980 0.24597 0.44440 173 8D+1 0.01546 0.13331 0.05962 -0.41529 0.30363 174 8D-1 -0.12174 0.39259 -0.31788 0.17304 -0.02100 175 8D+2 -0.20181 0.27156 0.23410 -0.30086 -0.04856 176 8D-2 -0.12668 -0.26083 0.18077 0.06636 0.66977 177 9 C 1S 0.01775 -0.00175 0.00095 0.00075 -0.00100 178 2S -0.68783 -0.13245 0.01250 0.01191 0.01223 179 3S 1.59356 0.03083 -0.02018 -0.01988 -0.02700 180 4PX 0.11742 -0.03868 0.00467 0.00398 -0.06826 181 4PY -0.23641 0.07780 -0.00662 -0.00626 -0.02336 182 4PZ 0.02993 -0.00996 0.00014 0.00065 0.04699 183 5PX -0.26645 -0.08261 0.29878 0.01791 -0.07385 184 5PY 0.51454 0.15019 0.14039 -0.03685 -0.04638 185 5PZ -0.05980 -0.01332 -0.00539 -0.32547 0.05967 186 10 O 1S 0.00166 -0.00531 -0.00094 -0.00072 0.00102 187 2S -0.00628 0.00294 0.01589 0.01273 -0.01275 188 3S -0.13804 0.10582 -0.02163 -0.01750 0.01519 189 4PX 0.00498 -0.00330 0.08673 0.00537 -0.01526 190 4PY -0.00953 0.01213 0.04528 -0.00732 -0.00980 191 4PZ 0.00063 -0.00365 -0.00376 -0.09473 0.01246 192 5PX 0.06582 -0.04557 -0.24986 -0.01103 0.07906 193 5PY -0.12990 0.08617 -0.13975 0.01454 0.04234 194 5PZ 0.01619 -0.00765 0.01071 0.27912 -0.06083 176 177 178 179 180 V V V V V EIGENVALUES -- 1.23322 1.28210 1.31034 1.31070 1.31675 1 1 Cu 1S -0.06205 -0.00055 -0.02827 -0.03793 0.00823 2 2S -0.15619 -0.00176 -0.08833 -0.12057 0.04991 3 3S 0.02366 -0.00795 -0.53206 -0.76815 1.35532 4 4PX 0.00240 0.00447 -0.03620 -0.01925 -0.00502 5 4PY -0.02615 0.00107 -0.00133 0.00969 0.04281 6 4PZ 0.00320 -0.00989 0.02440 -0.03660 0.00994 7 5PX 0.04111 0.01666 0.77969 0.49537 -0.09039 8 5PY 0.33127 0.01525 0.13682 -0.03096 -1.15163 9 5PZ 0.06583 -0.03853 -0.41033 0.78022 -0.47996 10 6PX 0.03751 -0.01306 -0.49604 -0.14814 -0.40964 11 6PY -0.22408 -0.01105 0.09284 0.33795 0.48230 12 6PZ 0.05469 0.04330 0.51089 -0.51939 -0.04719 13 7D 0 -0.19441 0.17609 -0.01667 -0.07299 -0.05470 14 7D+1 0.01683 0.18795 0.13576 0.04594 -0.01387 15 7D-1 0.05788 -0.03541 -0.10135 0.13418 -0.14894 16 7D+2 -0.20220 -0.11061 -0.02216 0.08701 0.08251 17 7D-2 -0.04255 -0.02403 0.09179 0.02192 -0.26203 18 8D 0 0.49734 -0.47654 0.02878 0.24262 0.16697 19 8D+1 -0.05252 -0.51371 -0.41775 -0.11137 0.04551 20 8D-1 -0.14866 0.11193 0.29374 -0.38645 0.42662 21 8D+2 0.50248 0.30399 0.09130 -0.24408 -0.21587 22 8D-2 0.11792 0.05866 -0.24734 -0.05276 0.75259 23 2 Cu 1S 0.00064 0.00017 -0.00430 0.00584 -0.00159 24 2S 0.00185 0.00023 -0.00294 -0.00068 -0.00083 25 3S 0.00506 -0.00168 -0.00285 0.00633 0.01895 26 4PX 0.00532 0.00948 0.00449 0.00125 -0.00892 27 4PY 0.00342 0.00669 0.00499 -0.00272 -0.00707 28 4PZ 0.00895 0.01638 0.00643 0.00528 -0.01641 29 5PX -0.05614 -0.15641 -0.21568 -0.33777 -0.07221 30 5PY -0.03500 -0.10731 -0.58251 0.70648 -0.02747 31 5PZ -0.08961 -0.26973 -0.43495 -0.44614 -0.10227 32 6PX 0.04728 0.07708 0.19586 0.23274 0.04716 33 6PY 0.03441 0.05149 0.43730 -0.49584 0.02083 34 6PZ 0.08412 0.13220 0.35900 0.35345 0.08376 35 7D 0 0.01886 0.07958 0.11614 0.06036 -0.04560 36 7D+1 -0.03457 -0.08894 -0.08164 -0.08003 0.02443 37 7D-1 0.03391 0.07011 0.12175 -0.11912 -0.00815 38 7D+2 -0.03687 -0.08862 -0.04742 -0.13741 0.02108 39 7D-2 0.00155 -0.01674 -0.10098 0.11407 0.02502 40 8D 0 -0.04850 -0.21576 -0.33793 -0.18708 0.08793 41 8D+1 0.08750 0.23489 0.24140 0.23165 -0.04719 42 8D-1 -0.08609 -0.18107 -0.35772 0.35142 0.01946 43 8D+2 0.09338 0.23310 0.13985 0.40254 -0.04155 44 8D-2 -0.00359 0.04780 0.30372 -0.34991 -0.05212 45 3 Cu 1S 0.06244 0.00039 0.04663 -0.00371 -0.00823 46 2S 0.15654 0.00112 0.14916 -0.01292 -0.04583 47 3S -0.03008 0.00075 0.96069 -0.10505 -1.17525 48 4PX -0.00753 -0.00960 0.01443 0.03827 0.02354 49 4PY 0.02311 -0.00472 -0.02259 0.02380 -0.02456 50 4PZ -0.01119 0.00097 -0.03016 -0.00117 0.01963 51 5PX 0.13000 -0.03650 -0.23277 -0.72364 -0.72941 52 5PY -0.20973 -0.02673 0.37171 -0.44737 0.45961 53 5PZ 0.23436 0.00395 0.83479 -0.00788 -0.73190 54 6PX -0.05438 0.04190 0.30976 0.63933 0.33546 55 6PY 0.22057 0.02933 -0.39444 0.40592 -0.44956 56 6PZ -0.07560 -0.00260 -0.17671 -0.05313 -0.06304 57 7D 0 -0.00712 0.03526 -0.15690 0.01293 0.17322 58 7D+1 -0.07857 -0.20454 -0.00478 -0.00063 0.14806 59 7D-1 0.16795 -0.08869 -0.04292 0.02808 -0.10702 60 7D+2 0.09911 0.13210 0.04522 0.16303 0.08323 61 7D-2 0.20550 -0.11262 0.02090 -0.11434 0.09747 62 8D 0 0.01996 -0.09468 0.43654 -0.04334 -0.50072 63 8D+1 0.19632 0.54978 0.02335 0.04188 -0.42253 64 8D-1 -0.41064 0.23632 0.11377 -0.06037 0.28838 65 8D+2 -0.25441 -0.37257 -0.14491 -0.48792 -0.24506 66 8D-2 -0.52993 0.31451 -0.07986 0.34991 -0.28804 67 4 Cu 1S 0.00112 0.00001 0.00039 -0.00091 0.00132 68 2S 0.00249 0.00002 0.00133 -0.00191 0.00330 69 3S -0.00364 -0.00013 -0.01790 0.01933 0.00008 70 4PX -0.00779 0.00002 0.00124 0.00830 -0.01463 71 4PY -0.00552 -0.00001 0.00158 0.00435 -0.00949 72 4PZ -0.01401 -0.00016 0.00966 -0.00175 -0.01947 73 5PX 0.05932 -0.00165 0.04283 0.35453 0.43661 74 5PY 0.04063 -0.00087 0.05983 0.18085 0.28669 75 5PZ 0.10412 -0.00043 0.37379 -0.08124 0.58990 76 6PX 0.00657 0.00175 -0.03562 -0.27353 -0.34173 77 6PY 0.00657 0.00110 -0.04344 -0.14518 -0.22735 78 6PZ 0.01511 0.00154 -0.29141 0.06309 -0.46337 79 7D 0 0.03586 -0.00014 0.00687 0.00232 0.03834 80 7D+1 -0.05903 -0.00024 -0.01939 -0.01405 -0.16546 81 7D-1 0.06151 0.00049 0.03809 -0.01973 0.18313 82 7D+2 -0.06186 0.00051 -0.01159 -0.03936 -0.20439 83 7D-2 0.00004 -0.00037 -0.00517 0.02630 0.06137 84 8D 0 -0.07710 0.00049 -0.00666 -0.00702 -0.11006 85 8D+1 0.13530 0.00037 0.07344 0.03196 0.46161 86 8D-1 -0.14439 -0.00107 -0.13995 0.06034 -0.50804 87 8D+2 0.14252 -0.00156 0.03801 0.14376 0.56840 88 8D-2 -0.00386 0.00095 0.01004 -0.09701 -0.16806 89 5 Cu 1S 0.01122 -0.00007 -0.00064 0.00140 -0.01509 90 2S 0.00624 -0.00059 -0.01709 0.00447 -0.01441 91 3S -0.12011 -0.00467 0.01790 0.00322 0.13476 92 4PX -0.00326 -0.01755 0.00224 0.00856 -0.00882 93 4PY 0.01869 -0.00910 -0.00244 0.00449 -0.00917 94 4PZ 0.00523 0.00169 -0.00350 -0.00047 0.00326 95 5PX 0.01685 0.29041 -0.45430 -0.59474 -0.16442 96 5PY -0.15555 0.15347 0.77254 -0.40833 0.12091 97 5PZ 0.00348 -0.02651 0.20673 0.04317 -0.01392 98 6PX 0.06687 -0.14198 0.33680 0.48201 0.11573 99 6PY -0.00381 -0.07663 -0.56668 0.31906 -0.07087 100 6PZ 0.05268 0.01444 -0.17273 -0.03593 -0.05470 101 7D 0 -0.04250 -0.01870 0.07696 0.02230 0.02551 102 7D+1 0.01536 0.10402 -0.10474 -0.15104 0.01306 103 7D-1 -0.08705 0.06534 0.19497 -0.11168 0.05862 104 7D+2 -0.00487 0.09474 -0.04349 -0.08588 0.00356 105 7D-2 0.02719 -0.05149 -0.01432 0.04310 0.00398 106 8D 0 0.09216 0.05014 -0.22920 -0.06559 -0.07517 107 8D+1 -0.03374 -0.28014 0.31368 0.44456 -0.00727 108 8D-1 0.20509 -0.17526 -0.58365 0.33050 -0.15076 109 8D+2 0.01966 -0.24614 0.11911 0.25308 -0.00551 110 8D-2 -0.06102 0.13282 0.02885 -0.12473 -0.01468 111 6 Cu 1S 0.00018 -0.00002 0.00256 -0.00298 0.00009 112 2S 0.00010 -0.00007 0.00595 -0.00752 -0.00046 113 3S 0.00506 0.00006 -0.01968 0.01638 -0.01274 114 4PX -0.00805 -0.00026 -0.00658 -0.04804 -0.00850 115 4PY -0.00619 -0.00015 -0.00930 -0.02461 -0.00562 116 4PZ -0.01472 -0.00018 -0.05379 0.01031 -0.01219 117 5PX 0.13679 0.01025 0.19327 1.28859 -0.10971 118 5PY 0.10576 0.00601 0.23040 0.68065 -0.08191 119 5PZ 0.24995 0.00601 1.46408 -0.27709 -0.13462 120 6PX -0.17771 -0.00577 -0.11942 -0.70633 -0.01119 121 6PY -0.12745 -0.00338 -0.14751 -0.36439 -0.01032 122 6PZ -0.32001 -0.00321 -0.82489 0.13339 -0.02680 123 7D 0 0.17265 0.00056 -0.12625 -0.01975 -0.05794 124 7D+1 0.07241 0.00135 0.06995 0.15077 0.01714 125 7D-1 -0.21594 -0.00145 -0.15156 0.11024 0.02784 126 7D+2 0.10651 0.00196 0.08393 0.11345 -0.00370 127 7D-2 -0.13958 -0.00131 0.07085 -0.07479 0.03883 128 8D 0 -0.46048 -0.00154 0.37092 0.05731 0.18975 129 8D+1 -0.18103 -0.00366 -0.19969 -0.44320 -0.04459 130 8D-1 0.55847 0.00399 0.43507 -0.32140 -0.10736 131 8D+2 -0.27070 -0.00554 -0.24389 -0.32371 0.02714 132 8D-2 0.36722 0.00371 -0.20782 0.21308 -0.13330 133 7 Cu 1S -0.00969 -0.00004 -0.00419 -0.00108 0.01744 134 2S -0.00337 0.00050 -0.00036 0.00913 0.01666 135 3S 0.12096 0.00638 -0.02001 -0.01767 -0.15400 136 4PX 0.01074 0.00816 -0.00592 -0.00088 0.00272 137 4PY -0.01233 0.00245 0.00009 0.00161 0.00627 138 4PZ 0.00954 -0.01812 0.00657 -0.00637 -0.00694 139 5PX -0.04463 -0.13084 0.60241 0.34205 0.11960 140 5PY 0.12434 -0.04381 -0.31496 -0.58437 -0.17547 141 5PZ -0.07105 0.30208 -0.40282 0.52819 -0.04936 142 6PX -0.00261 0.06439 -0.47049 -0.25220 -0.13270 143 6PY 0.05297 0.02459 0.21439 0.41388 0.06916 144 6PZ 0.06878 -0.14900 0.32356 -0.41802 0.01640 145 7D 0 -0.01145 -0.06013 0.09588 -0.03980 -0.01046 146 7D+1 0.05341 -0.01615 -0.03234 -0.12992 -0.04280 147 7D-1 0.02586 -0.13744 0.14442 -0.06243 -0.00925 148 7D+2 0.07320 -0.00693 -0.12743 -0.15230 -0.04718 149 7D-2 -0.02167 0.06849 -0.04408 0.08255 -0.00181 150 8D 0 0.01885 0.16342 -0.27558 0.12679 0.01885 151 8D+1 -0.11811 0.04832 0.09418 0.38170 0.10895 152 8D-1 -0.06418 0.36147 -0.42397 0.18159 0.01194 153 8D+2 -0.17158 0.01574 0.38337 0.46040 0.13857 154 8D-2 0.05503 -0.18150 0.13280 -0.23751 0.01318 155 8 Cu 1S -0.00189 0.00015 -0.02018 0.04477 -0.00114 156 2S -0.00504 0.00062 -0.06302 0.14021 -0.00648 157 3S -0.00175 0.00722 -0.37416 0.83460 -0.16643 158 4PX 0.00562 0.00501 0.02433 -0.00208 0.01116 159 4PY 0.00290 0.00360 0.02697 -0.02418 0.00175 160 4PZ 0.00838 0.00900 0.02453 0.03412 0.01094 161 5PX -0.01852 0.02548 -0.54355 0.23764 -0.45345 162 5PY 0.00189 0.01452 -0.51845 0.48138 -0.17158 163 5PZ -0.00835 0.03393 -0.38943 -0.77905 -0.51295 164 6PX 0.06867 -0.02062 0.30075 0.21986 0.14006 165 6PY 0.04003 -0.01326 0.44223 -0.37571 0.01252 166 6PZ 0.10904 -0.03541 0.48621 0.43138 0.21084 167 7D 0 -0.05722 -0.21223 0.01817 0.03713 -0.08871 168 7D+1 0.00581 0.01570 0.01656 0.15786 0.02935 169 7D-1 0.02379 0.12705 -0.16070 0.01987 0.00983 170 7D+2 0.00178 -0.02345 0.10591 0.01594 0.06866 171 7D-2 0.02491 0.13794 -0.02812 -0.07471 0.04846 172 8D 0 0.14116 0.57360 -0.08409 -0.13749 0.26293 173 8D+1 -0.00925 -0.03347 -0.04258 -0.45038 -0.09038 174 8D-1 -0.06458 -0.35597 0.48003 -0.04798 -0.02536 175 8D+2 0.00110 0.07370 -0.30084 -0.05453 -0.20140 176 8D-2 -0.06275 -0.37662 0.11463 0.20187 -0.14545 177 9 C 1S -0.00011 0.00000 0.00003 -0.00009 0.00000 178 2S 0.00177 0.00005 -0.00019 0.00129 0.00022 179 3S -0.00118 0.00001 -0.02306 0.02752 -0.00393 180 4PX 0.03923 0.00044 -0.00103 0.00351 -0.00849 181 4PY 0.03090 0.00032 -0.00078 0.00352 -0.00595 182 4PZ 0.07323 0.00062 0.00218 -0.00274 -0.01185 183 5PX 0.05050 -0.00056 -0.00996 -0.11823 0.01003 184 5PY 0.03436 -0.00039 -0.02521 -0.05645 0.00479 185 5PZ 0.09164 -0.00038 -0.12485 0.02767 0.01268 186 10 O 1S -0.00001 -0.00001 0.00050 -0.00067 0.00007 187 2S -0.00028 0.00008 -0.00812 0.01101 -0.00101 188 3S 0.00090 -0.00011 0.01257 -0.01815 0.00134 189 4PX 0.01008 0.00008 0.00213 0.01034 -0.00222 190 4PY 0.00782 0.00004 0.00110 0.00682 -0.00180 191 4PZ 0.01890 -0.00005 0.01244 -0.00240 -0.00264 192 5PX -0.05121 -0.00028 -0.00449 -0.00524 0.00584 193 5PY -0.03621 -0.00019 0.00391 -0.01051 0.00494 194 5PZ -0.09356 -0.00011 -0.01056 0.00217 0.00723 181 182 183 184 185 V V V V V EIGENVALUES -- 1.31710 1.32180 1.33010 1.33086 1.35457 1 1 Cu 1S -0.00244 0.00154 0.02728 0.01928 0.02830 2 2S -0.01915 0.00385 0.06944 0.04931 0.07203 3 3S -0.60370 0.01112 -0.17095 -0.09919 -0.21698 4 4PX -0.00356 -0.01446 -0.02736 -0.02206 0.00706 5 4PY -0.02033 -0.00434 0.02074 0.01479 0.00875 6 4PZ 0.00883 0.03274 -0.00976 -0.00617 0.00565 7 5PX 0.31391 0.65668 0.97461 1.00687 0.01789 8 5PY 0.58895 0.20372 -0.75879 -0.49191 -0.30546 9 5PZ -0.40376 -1.47394 0.63924 -0.05408 -0.04795 10 6PX 0.11481 -0.71676 -0.83998 -0.84463 0.16738 11 6PY -0.23577 -0.22954 0.79252 0.55033 0.09808 12 6PZ 0.18770 1.59588 -0.49232 0.00163 0.12468 13 7D 0 -0.05090 -0.12262 -0.05249 -0.10187 0.10705 14 7D+1 -0.05650 -0.04552 0.19324 0.11356 -0.05461 15 7D-1 0.01234 -0.23653 0.03621 -0.00813 -0.05895 16 7D+2 -0.00605 -0.00111 0.14939 0.12665 0.10231 17 7D-2 0.15229 0.11856 0.01046 0.03903 -0.02025 18 8D 0 0.14913 0.37666 0.13461 0.30813 -0.31212 19 8D+1 0.16392 0.15259 -0.57347 -0.31575 0.15874 20 8D-1 -0.02718 0.68707 -0.11452 0.02656 0.16207 21 8D+2 0.00725 -0.00807 -0.43154 -0.38009 -0.29237 22 8D-2 -0.44252 -0.34926 -0.04006 -0.13020 0.04189 23 2 Cu 1S 0.02079 0.00019 0.00358 -0.01123 0.08279 24 2S 0.02180 0.00001 0.00640 -0.01845 0.16376 25 3S -0.18374 -0.00102 -0.00909 0.04491 -0.33281 26 4PX -0.00504 -0.00499 0.00331 -0.00044 0.00436 27 4PY 0.00217 -0.00345 0.00144 0.00329 -0.02511 28 4PZ -0.00049 -0.00839 0.00551 -0.00002 0.00784 29 5PX 0.10095 -0.30366 -0.25444 0.17661 -0.08546 30 5PY -0.16265 -0.20451 -0.05901 -0.71259 0.36213 31 5PZ -0.00535 -0.52305 -0.41002 0.10644 -0.09487 32 6PX -0.00167 0.33896 0.23661 -0.04671 0.05081 33 6PY 0.12274 0.23152 0.08059 0.57425 -0.06177 34 6PZ -0.04257 0.58371 0.41122 -0.12362 -0.00875 35 7D 0 -0.01226 0.07152 0.08889 0.00516 0.02258 36 7D+1 0.02211 -0.07362 -0.09263 0.02874 -0.01227 37 7D-1 0.03108 0.05297 0.04204 0.14308 -0.08921 38 7D+2 0.01088 -0.07295 -0.09635 0.07243 -0.05864 39 7D-2 -0.03854 -0.01686 -0.00464 -0.12832 0.10872 40 8D 0 0.03306 -0.24228 -0.26108 -0.02160 -0.05530 41 8D+1 -0.05703 0.25326 0.27603 -0.09027 0.03578 42 8D-1 -0.08571 -0.18553 -0.12447 -0.44175 0.24309 43 8D+2 -0.02907 0.25141 0.28854 -0.22960 0.16026 44 8D-2 0.11265 0.05571 0.01254 0.38460 -0.28703 45 3 Cu 1S -0.00503 -0.00126 -0.03157 0.01037 0.03025 46 2S -0.03135 -0.00382 -0.08139 0.02645 0.07844 47 3S -0.87538 -0.04148 0.18079 -0.06027 -0.19249 48 4PX 0.00254 0.03250 0.01663 -0.00767 -0.00353 49 4PY -0.02616 0.01650 -0.03495 0.01265 0.00266 50 4PZ 0.01544 -0.00233 -0.01568 0.00723 -0.01232 51 5PX 0.17037 -1.44439 -0.46813 0.64228 0.15785 52 5PY 0.72764 -0.74242 1.37793 -0.29869 -0.24766 53 5PZ -0.60169 0.11648 0.66644 -0.32463 0.17580 54 6PX 0.03448 1.56722 0.49422 -0.51859 -0.04108 55 6PY -0.46390 0.81587 -1.29892 0.34989 -0.01201 56 6PZ -0.03566 -0.15688 -0.47005 0.23090 -0.21237 57 7D 0 0.14619 -0.03001 -0.19697 0.09344 -0.06498 58 7D+1 -0.01619 0.20255 0.03276 -0.07214 -0.06916 59 7D-1 -0.14501 0.11972 -0.19808 0.04161 0.08508 60 7D+2 0.05449 0.15861 0.06279 -0.03574 0.05597 61 7D-2 0.06771 -0.07796 0.06261 -0.03083 0.10308 62 8D 0 -0.42496 0.09154 0.58338 -0.28049 0.17539 63 8D+1 0.06118 -0.61187 -0.08335 0.23453 0.19355 64 8D-1 0.41048 -0.35910 0.57906 -0.10909 -0.23688 65 8D+2 -0.15707 -0.44974 -0.17657 0.09675 -0.16843 66 8D-2 -0.20121 0.21639 -0.16847 0.09036 -0.30502 67 4 Cu 1S -0.00362 -0.00004 0.00031 0.00852 -0.06490 68 2S -0.00766 -0.00007 0.00161 0.01813 -0.12268 69 3S 0.03111 0.00102 0.03227 -0.06676 1.05660 70 4PX 0.01788 0.00002 0.00442 0.01060 -0.00263 71 4PY 0.00790 -0.00005 0.00395 0.00519 0.00512 72 4PZ -0.01709 -0.00073 0.01157 -0.00618 -0.00074 73 5PX -0.54268 -0.00151 0.22289 0.45623 0.10881 74 5PY -0.24088 0.00039 0.15830 0.22026 -0.13898 75 5PZ 0.52759 0.01438 0.52202 -0.25428 -0.01326 76 6PX 0.43211 0.00138 -0.22012 -0.47901 0.06404 77 6PY 0.18307 -0.00056 -0.17444 -0.21638 -0.18533 78 6PZ -0.41603 -0.01120 -0.53308 0.26349 0.04693 79 7D 0 0.00487 0.00065 0.03714 -0.00296 0.00047 80 7D+1 -0.00742 -0.00270 -0.05798 -0.03625 -0.00046 81 7D-1 0.23444 0.00664 0.07294 -0.06623 -0.00793 82 7D+2 0.16844 -0.00052 -0.05763 -0.05966 -0.00460 83 7D-2 -0.15868 -0.00155 -0.00458 0.05174 0.00672 84 8D 0 -0.01550 -0.00216 -0.11480 0.00751 0.00075 85 8D+1 0.01678 0.00719 0.20264 0.11176 0.00153 86 8D-1 -0.65478 -0.01827 -0.26203 0.23072 0.02650 87 8D+2 -0.46717 0.00154 0.20027 0.21902 0.01621 88 8D-2 0.44187 0.00444 0.00915 -0.18590 -0.01888 89 5 Cu 1S -0.01007 -0.00093 -0.00289 0.00250 0.08762 90 2S -0.00893 -0.00250 -0.00023 0.00472 0.16776 91 3S 0.08705 -0.00863 0.02199 0.01526 -0.40543 92 4PX 0.01617 0.00883 0.00152 0.00541 0.01021 93 4PY 0.00447 0.00472 0.00194 0.00331 -0.02208 94 4PZ -0.00018 -0.00105 0.00027 0.00010 -0.00863 95 5PX 0.01945 0.56799 0.12724 -0.49410 -0.20651 96 5PY 0.16461 0.29005 -0.64098 0.02176 0.38997 97 5PZ -0.01976 -0.05273 -0.08870 0.06137 0.12751 98 6PX -0.03060 -0.63376 -0.06963 0.48162 0.07871 99 6PY -0.10549 -0.32827 0.54611 0.01902 -0.11204 100 6PZ -0.02664 0.06495 0.15496 -0.10878 0.01181 101 7D 0 0.03124 -0.01639 -0.05652 0.04048 0.05446 102 7D+1 -0.05721 0.09403 0.02365 -0.12693 -0.06909 103 7D-1 0.00821 0.05553 -0.17383 -0.00582 0.14606 104 7D+2 -0.01097 0.07519 -0.00531 -0.08958 -0.00893 105 7D-2 0.00535 -0.03891 0.02977 0.03440 0.01421 106 8D 0 -0.07997 0.05625 0.17036 -0.12182 -0.15014 107 8D+1 0.12517 -0.31836 -0.07786 0.37826 0.18996 108 8D-1 -0.04274 -0.18996 0.53420 0.00779 -0.40044 109 8D+2 0.02304 -0.26138 0.00738 0.27066 0.03233 110 8D-2 -0.01678 0.13668 -0.09966 -0.09976 -0.02926 111 6 Cu 1S -0.00362 -0.00012 -0.00134 0.00319 -0.03441 112 2S -0.00978 -0.00034 -0.00410 0.00840 -0.14170 113 3S 0.03960 0.00068 0.00714 -0.05332 0.73609 114 4PX 0.00893 -0.00031 0.01398 0.03410 -0.01695 115 4PY 0.00531 -0.00009 0.01209 0.01482 0.03553 116 4PZ -0.01001 0.00034 0.03535 -0.01890 -0.00572 117 5PX 0.17066 0.01131 -0.49947 -1.11963 0.22919 118 5PY 0.06540 0.00380 -0.38833 -0.54871 -0.60020 119 5PZ -0.14266 -0.01993 -1.21397 0.63500 0.14734 120 6PX -0.01051 -0.00412 0.37672 0.80090 -0.03589 121 6PY 0.00321 -0.00080 0.28977 0.38598 0.15342 122 6PZ -0.00373 0.01325 0.90557 -0.44852 -0.06015 123 7D 0 -0.03495 -0.00052 0.10439 -0.00653 -0.18766 124 7D+1 -0.05823 0.00016 -0.11193 -0.10884 0.03032 125 7D-1 -0.01034 0.00227 0.12810 -0.14680 -0.06846 126 7D+2 0.03017 0.00083 -0.11709 -0.09607 -0.19271 127 7D-2 -0.01577 -0.00107 -0.03719 0.11117 -0.26288 128 8D 0 0.11306 0.00209 -0.29663 0.01753 0.53009 129 8D+1 0.19605 0.00001 0.32962 0.31055 -0.08627 130 8D-1 0.01799 -0.00718 -0.38184 0.42950 0.19553 131 8D+2 -0.11371 -0.00254 0.34435 0.28896 0.54646 132 8D-2 0.05817 0.00289 0.10307 -0.32906 0.74137 133 7 Cu 1S -0.00593 0.00113 0.00826 0.00563 0.08691 134 2S -0.00419 0.00331 0.01259 0.01079 0.16799 135 3S 0.05440 0.00886 -0.02403 0.01215 -0.38413 136 4PX 0.00844 -0.00389 -0.00045 0.00163 0.01905 137 4PY -0.00024 -0.00149 -0.00181 0.00029 -0.01611 138 4PZ -0.01693 0.00832 0.00396 -0.00529 0.00688 139 5PX 0.01757 -0.25918 -0.24021 -0.41082 -0.31784 140 5PY 0.09476 -0.08031 0.45070 0.28124 0.29287 141 5PZ -0.13253 0.58757 -0.36704 0.26299 -0.08446 142 6PX -0.00724 0.29258 0.22467 0.42505 0.05996 143 6PY -0.04321 0.09496 -0.33002 -0.17671 -0.10643 144 6PZ 0.11761 -0.65218 0.37933 -0.25313 -0.01010 145 7D 0 -0.03236 -0.05776 0.02450 -0.06607 0.00530 146 7D+1 -0.00924 -0.02041 0.09862 0.04214 0.07291 147 7D-1 -0.02685 -0.11645 0.06252 -0.11751 -0.02630 148 7D+2 0.03325 -0.00137 0.12834 0.09271 0.14680 149 7D-2 0.02212 0.05861 -0.06149 0.03491 -0.01288 150 8D 0 0.05933 0.19245 -0.06381 0.19983 -0.00506 151 8D+1 0.00601 0.06441 -0.30305 -0.13693 -0.20420 152 8D-1 0.04805 0.39796 -0.18337 0.35163 0.07331 153 8D+2 -0.08415 0.00814 -0.39195 -0.28484 -0.39795 154 8D-2 -0.04426 -0.20013 0.19238 -0.09644 0.03967 155 8 Cu 1S 0.01343 -0.00018 0.00514 -0.04061 0.02208 156 2S 0.06520 0.00018 0.01258 -0.10367 0.05239 157 3S 1.44874 0.02914 -0.04739 0.21624 -0.31703 158 4PX -0.03554 -0.01782 -0.00070 0.00442 -0.00762 159 4PY 0.03084 -0.01194 0.00569 -0.04110 -0.00473 160 4PZ 0.01108 -0.02950 -0.00253 0.01391 0.00674 161 5PX 1.08102 0.78981 0.21843 -0.02698 0.15096 162 5PY -0.63956 0.53562 -0.07475 1.60197 -0.06704 163 5PZ -0.49566 1.31913 0.45420 -0.55199 -0.06382 164 6PX -0.20804 -0.84080 -0.18946 0.17826 -0.14131 165 6PY 0.67251 -0.58186 0.08867 -1.45484 -0.20688 166 6PZ -0.08421 -1.44550 -0.33473 0.42780 0.17834 167 7D 0 -0.06141 0.15446 0.04728 0.03325 0.07817 168 7D+1 0.15976 -0.15471 -0.04599 0.16207 0.10211 169 7D-1 -0.11524 0.11429 -0.02933 0.20355 0.02483 170 7D+2 -0.27263 -0.15850 -0.02535 0.04475 -0.02742 171 7D-2 -0.02964 -0.04016 -0.00043 -0.15947 0.08166 172 8D 0 0.18657 -0.47236 -0.16433 -0.09319 -0.22963 173 8D+1 -0.45632 0.45341 0.14291 -0.47751 -0.28754 174 8D-1 0.32219 -0.32109 0.09117 -0.58734 -0.07758 175 8D+2 0.77617 0.46024 0.07633 -0.11478 0.06464 176 8D-2 0.10582 0.13127 0.01431 0.47675 -0.23969 177 9 C 1S -0.00030 -0.00001 -0.00022 0.00082 -0.01829 178 2S 0.00808 0.00020 0.00091 -0.00630 0.38858 179 3S -0.00296 0.00023 0.00874 -0.01587 -0.57702 180 4PX 0.00579 0.00019 -0.01459 -0.02483 -0.19266 181 4PY 0.01239 0.00036 -0.00609 -0.02965 0.37781 182 4PZ -0.01075 -0.00015 -0.03201 0.02016 -0.04454 183 5PX -0.01340 -0.00161 0.07533 0.20134 -0.02543 184 5PY -0.00207 -0.00051 0.06875 0.07742 0.05376 185 5PZ 0.01094 0.00186 0.19409 -0.10853 -0.00854 186 10 O 1S -0.00056 -0.00002 -0.00027 0.00072 -0.00909 187 2S 0.00632 0.00026 0.00254 -0.00601 0.02658 188 3S -0.00315 -0.00026 -0.00051 0.00006 0.24575 189 4PX 0.00210 -0.00011 0.00666 0.02028 -0.04778 190 4PY 0.00444 0.00001 0.00723 0.00380 0.09536 191 4PZ -0.00329 -0.00029 0.01809 -0.00963 -0.01131 192 5PX -0.00759 0.00038 -0.02440 -0.06397 -0.00553 193 5PY -0.00658 0.00007 -0.02163 -0.02763 0.02142 194 5PZ 0.00789 0.00034 -0.06261 0.03556 -0.00558 186 187 188 189 190 V V V V V EIGENVALUES -- 1.52251 1.64190 1.83993 1.84176 2.01987 1 1 Cu 1S 0.21316 -0.12763 -0.32426 0.99352 0.02596 2 2S 0.58067 -0.24185 -0.68106 2.09056 0.03456 3 3S 0.66341 1.63166 0.49415 -1.39824 -0.22683 4 4PX 0.02452 0.00003 -0.00558 0.01862 0.02204 5 4PY 0.02393 0.00330 -0.00515 0.01756 -0.02750 6 4PZ 0.01484 0.00106 -0.00470 0.01024 0.00603 7 5PX -0.26892 0.20070 0.10738 -0.67977 -0.49472 8 5PY -0.27367 -0.63793 0.19199 -0.79177 0.59261 9 5PZ -0.16395 -0.03532 0.37731 -0.31055 -0.13969 10 6PX -0.03040 -0.31129 -0.24617 0.45328 0.80159 11 6PY -0.26873 -0.04584 -0.15707 0.46212 -0.80806 12 6PZ -0.05259 -0.12194 0.04981 0.31469 0.24604 13 7D 0 -0.01564 -0.00782 -0.03455 -0.03327 0.04351 14 7D+1 0.02618 0.02164 -0.04615 -0.02194 -0.06293 15 7D-1 0.04269 -0.01093 0.03211 -0.00133 0.00769 16 7D+2 -0.01070 0.02861 0.04201 -0.01998 -0.04750 17 7D-2 0.07757 -0.01299 0.01220 -0.04698 0.03537 18 8D 0 0.06052 0.01183 0.12239 0.12975 -0.15812 19 8D+1 -0.09352 -0.06366 0.17299 0.06651 0.22083 20 8D-1 -0.14677 0.04540 -0.11381 -0.00652 -0.02300 21 8D+2 0.04045 -0.10777 -0.15274 0.07116 0.15606 22 8D-2 -0.26016 0.04825 -0.03844 0.15365 -0.12247 23 2 Cu 1S -0.51161 -0.13046 0.55155 -0.11727 0.56821 24 2S -1.10269 -0.28043 1.18112 -0.25119 1.11022 25 3S -1.04949 -0.09301 0.12772 -0.03046 -0.95660 26 4PX -0.02762 -0.00333 0.02978 -0.00104 -0.00350 27 4PY -0.00036 -0.00918 -0.00345 0.00444 0.00637 28 4PZ 0.01620 0.00565 -0.01308 0.01191 -0.00057 29 5PX 0.99409 0.13968 -1.11113 0.07482 -0.43131 30 5PY 0.07727 0.01790 -0.16994 -0.07473 -0.12594 31 5PZ -0.61023 -0.08636 0.62943 -0.41191 0.29947 32 6PX -0.11955 0.07618 0.41957 -0.10888 -0.06146 33 6PY 0.10654 -0.09678 0.10865 -0.03943 0.57302 34 6PZ 0.02652 -0.00636 -0.29660 0.02825 -0.19523 35 7D 0 -0.01360 -0.00156 0.03236 0.07489 -0.01376 36 7D+1 -0.08231 -0.00100 0.07133 -0.07062 0.02605 37 7D-1 0.00253 -0.02381 0.00316 0.02073 -0.00132 38 7D+2 0.07203 -0.02206 -0.08144 -0.03213 -0.03458 39 7D-2 -0.00280 0.01637 -0.00205 -0.03187 -0.02874 40 8D 0 0.04212 0.00729 -0.10683 -0.23348 0.04326 41 8D+1 0.25258 -0.00388 -0.24745 0.21975 -0.09804 42 8D-1 -0.00427 0.06056 -0.02151 -0.05297 0.00821 43 8D+2 -0.21760 0.06387 0.25930 0.09218 0.12829 44 8D-2 0.00658 -0.03483 0.01436 0.10083 0.09176 45 3 Cu 1S 0.20817 -0.12687 -0.70404 -0.77568 0.02498 46 2S 0.56999 -0.24055 -1.48019 -1.63269 0.03322 47 3S 0.68555 1.62778 1.04104 1.09013 -0.21039 48 4PX -0.00543 -0.00202 0.00332 0.00215 0.01643 49 4PY 0.00263 0.00214 -0.00059 -0.00220 -0.03175 50 4PZ -0.03678 -0.00212 0.01899 0.02138 -0.00425 51 5PX 0.06314 0.34072 -0.31674 0.01459 -0.35728 52 5PY -0.02158 -0.54797 0.01075 0.23657 0.69921 53 5PZ 0.41248 0.19946 -0.71035 -0.83323 0.11189 54 6PX 0.11481 -0.06649 -0.04693 0.18024 0.52128 55 6PY -0.18885 0.13320 -0.08387 -0.01481 -1.02639 56 6PZ 0.18974 0.30486 0.52586 0.53939 -0.25954 57 7D 0 0.08324 0.00718 0.03409 0.02573 -0.02671 58 7D+1 0.02897 -0.01656 -0.03515 0.02676 0.02379 59 7D-1 -0.03124 0.03360 -0.00350 0.01881 -0.06660 60 7D+2 0.01097 -0.01316 0.05356 -0.01661 0.04015 61 7D-2 0.01107 -0.00744 -0.00503 0.05480 0.04722 62 8D 0 -0.28406 -0.01234 -0.10568 -0.07390 0.09524 63 8D+1 -0.10045 0.06418 0.13189 -0.09270 -0.07744 64 8D-1 0.10726 -0.12205 0.01130 -0.06997 0.22447 65 8D+2 -0.03170 0.03707 -0.19642 0.06020 -0.14345 66 8D-2 -0.02859 0.01204 0.01654 -0.20140 -0.17136 67 4 Cu 1S -0.73082 0.32561 0.01357 -0.00062 -1.14482 68 2S -1.54739 0.68222 0.02695 -0.00049 -2.23698 69 3S 0.22937 -1.47795 -0.07523 0.02101 3.67446 70 4PX 0.01507 -0.00270 -0.00276 0.00272 -0.00692 71 4PY -0.02764 0.00552 -0.00133 0.00209 0.01273 72 4PZ 0.00254 -0.00070 0.00343 0.00321 -0.00118 73 5PX -0.56769 0.14866 0.15857 -0.14834 -0.33170 74 5PY 1.06995 -0.28689 0.06337 -0.10519 0.62597 75 5PZ -0.10315 0.02847 -0.18221 -0.16538 -0.05923 76 6PX 0.14550 -0.15373 0.01156 -0.02238 0.13966 77 6PY -0.28762 0.31849 0.01511 -0.01543 -0.25302 78 6PZ 0.02674 -0.03924 -0.02329 -0.02862 0.01507 79 7D 0 -0.06681 0.02256 0.00141 -0.00462 -0.03102 80 7D+1 0.00856 -0.00406 0.01235 0.04298 0.00411 81 7D-1 -0.01821 0.00611 -0.06887 -0.04675 -0.00872 82 7D+2 -0.06573 0.02343 -0.04356 0.06162 -0.03087 83 7D-2 -0.09753 0.03336 0.04262 -0.02410 -0.04497 84 8D 0 0.20373 -0.06861 -0.00803 0.00869 0.11818 85 8D+1 -0.02585 0.01235 -0.04407 -0.13048 -0.01568 86 8D-1 0.05593 -0.01834 0.21207 0.14736 0.03271 87 8D+2 0.20136 -0.07138 0.13794 -0.19109 0.11750 88 8D-2 0.29709 -0.10160 -0.13205 0.07826 0.17169 89 5 Cu 1S -0.50196 -0.08425 -0.39431 -0.42503 0.56158 90 2S -1.08248 -0.18003 -0.84190 -0.90833 1.09576 91 3S -1.07208 -0.16724 -0.07948 -0.06907 -0.96799 92 4PX -0.00678 0.00293 -0.01298 -0.00022 -0.00363 93 4PY 0.00713 -0.00574 0.00356 0.01169 0.00653 94 4PZ -0.03050 -0.00675 -0.01993 -0.02297 -0.00101 95 5PX 0.19981 0.00836 0.35950 -0.04260 -0.05430 96 5PY -0.17968 -0.01128 0.01388 -0.22649 0.00827 97 5PZ 1.12803 0.09201 0.85700 0.97376 -0.52136 98 6PX -0.06555 0.06845 0.00052 -0.06279 -0.24787 99 6PY 0.13589 -0.09760 0.01162 -0.00611 0.51644 100 6PZ -0.08508 0.03670 -0.36072 -0.39206 0.19909 101 7D 0 0.09335 -0.00423 0.05207 0.08160 -0.04465 102 7D+1 0.03853 -0.01775 0.09651 -0.03244 -0.00576 103 7D-1 -0.04318 0.03093 0.01060 -0.06920 0.00317 104 7D+2 -0.00010 -0.00723 0.02515 -0.02440 -0.01641 105 7D-2 -0.00731 -0.00403 -0.01642 0.00041 -0.02305 106 8D 0 -0.28607 0.02764 -0.18045 -0.27444 0.16059 107 8D+1 -0.11525 0.04832 -0.30248 0.09862 0.02747 108 8D-1 0.12733 -0.08006 -0.03494 0.21158 -0.02220 109 8D+2 0.00253 0.02205 -0.06630 0.07351 0.05558 110 8D-2 0.02447 0.01516 0.05148 0.00937 0.07586 111 6 Cu 1S 0.05083 0.27341 0.00865 -0.00153 -0.15428 112 2S 0.20949 0.58137 0.01926 -0.00414 -0.29623 113 3S 2.12144 -2.23345 -0.00962 -0.01708 -0.37394 114 4PX 0.02183 -0.01904 0.01893 -0.01848 -0.02496 115 4PY -0.03951 0.03453 0.00820 -0.01153 0.04764 116 4PZ 0.00379 -0.00285 -0.02164 -0.01961 -0.00520 117 5PX -0.21035 0.94647 -0.63247 0.63807 0.03920 118 5PY 0.34501 -1.76192 -0.33207 0.40128 -0.08842 119 5PZ -0.03066 0.16323 0.75670 0.67820 0.01956 120 6PX -0.15652 0.24132 -0.06782 0.06320 0.40138 121 6PY 0.27474 -0.53249 -0.02198 0.03684 -0.81246 122 6PZ -0.00468 0.07876 0.07665 0.06890 0.10067 123 7D 0 -0.04669 0.02007 -0.02840 -0.04856 0.04175 124 7D+1 0.00777 -0.00188 -0.04359 0.04304 -0.00712 125 7D-1 -0.01274 0.01305 -0.04627 0.00107 0.01169 126 7D+2 -0.04869 0.02392 0.00117 0.02893 0.04291 127 7D-2 -0.07014 0.02254 0.02388 0.01846 0.06187 128 8D 0 0.15070 -0.09642 0.10719 0.18366 -0.14586 129 8D+1 -0.02448 0.01087 0.16902 -0.15465 0.02489 130 8D-1 0.03996 -0.05259 0.16089 -0.01401 -0.04040 131 8D+2 0.15600 -0.10934 -0.01552 -0.09652 -0.15007 132 8D-2 0.22638 -0.11768 -0.08316 -0.07551 -0.21669 133 7 Cu 1S -0.50058 -0.08704 -0.18513 0.55239 0.56013 134 2S -1.07913 -0.18698 -0.39480 1.17972 1.09363 135 3S -1.07042 -0.17318 -0.04665 0.09552 -0.95427 136 4PX 0.01752 0.00895 0.00076 -0.01561 -0.00343 137 4PY 0.02404 -0.00164 0.00720 -0.02705 0.00670 138 4PZ 0.01134 0.00319 0.01281 -0.00725 -0.00049 139 5PX -0.70780 -0.07250 -0.14261 0.84133 0.37746 140 5PY -0.80298 -0.06595 -0.23082 0.86240 0.30549 141 5PZ -0.42799 -0.03363 -0.44686 0.38643 0.20952 142 6PX -0.00719 0.04265 0.14298 -0.36247 -0.45975 143 6PY 0.16224 -0.11877 0.09138 -0.29302 0.37548 144 6PZ 0.00626 -0.01259 0.02541 -0.21066 -0.15383 145 7D 0 -0.03332 -0.00227 0.04890 0.05419 -0.00724 146 7D+1 0.03612 0.01236 0.04952 -0.02370 -0.00965 147 7D-1 0.05009 -0.01240 0.08680 -0.02738 -0.01754 148 7D+2 -0.02572 0.02795 -0.02025 0.02441 -0.01430 149 7D-2 0.07888 -0.01747 -0.01758 -0.09018 -0.04698 150 8D 0 0.10391 0.00591 -0.14942 -0.18285 0.01962 151 8D+1 -0.11394 -0.02632 -0.16534 0.09159 0.03437 152 8D-1 -0.15149 0.03863 -0.26317 0.09756 0.06678 153 8D+2 0.07421 -0.06827 0.06479 -0.06909 0.03865 154 8D-2 -0.23856 0.05951 0.04732 0.29242 0.16919 155 8 Cu 1S 0.20859 -0.13692 1.01858 -0.21990 0.04261 156 2S 0.56869 -0.26200 2.14389 -0.46289 0.06917 157 3S 0.62008 1.57434 -1.41634 0.30365 -0.27111 158 4PX -0.03015 -0.00211 -0.02362 0.00448 0.01117 159 4PY -0.00652 0.00150 -0.00452 0.00044 -0.03340 160 4PZ 0.02015 0.00051 0.01508 -0.00451 0.00740 161 5PX 0.32863 0.40289 0.98866 -0.07514 -0.22296 162 5PY 0.09642 -0.49626 0.07302 0.07402 0.73863 163 5PZ -0.22213 -0.03364 -0.52220 0.35081 -0.17553 164 6PX 0.22700 0.16161 -0.59650 0.21454 0.24281 165 6PY -0.17365 0.21563 -0.09466 0.08269 -1.07250 166 6PZ -0.06565 -0.18365 0.42389 0.05615 0.30672 167 7D 0 0.00039 -0.00126 -0.03558 -0.04319 0.02618 168 7D+1 -0.06321 -0.00112 0.01339 -0.01147 0.03332 169 7D-1 0.00953 -0.02680 0.00967 0.04506 0.06956 170 7D+2 0.06837 -0.02471 -0.03431 -0.01198 0.04982 171 7D-2 0.01099 0.01879 -0.03760 0.04655 -0.01949 172 8D 0 0.00446 -0.00572 0.13164 0.15679 -0.09680 173 8D+1 0.21995 -0.01229 -0.02761 0.03752 -0.12147 174 8D-1 -0.02810 0.08726 -0.03006 -0.16572 -0.24086 175 8D+2 -0.22964 0.08969 0.11130 0.04714 -0.17030 176 8D-2 -0.03214 -0.07312 0.13073 -0.16846 0.05922 177 9 C 1S -0.01248 -0.02109 -0.00006 0.00008 -0.00074 178 2S 0.29355 0.10319 0.01605 -0.00168 -0.18990 179 3S -0.73234 -3.26232 -0.10726 0.00891 -0.67715 180 4PX -0.10615 -0.13873 -0.02539 0.02219 0.02195 181 4PY 0.20840 0.28928 -0.00325 0.01184 -0.03722 182 4PZ -0.02479 -0.03881 0.02452 0.02279 0.00291 183 5PX 0.02484 -0.18475 0.23401 -0.22357 -0.36559 184 5PY -0.02260 0.40301 0.08680 -0.14670 0.72475 185 5PZ -0.00375 -0.05003 -0.26315 -0.24358 -0.08531 186 10 O 1S 0.00962 0.08093 0.00127 -0.00020 0.02121 187 2S -0.23335 -1.86405 -0.03331 0.00568 -0.65663 188 3S 0.51315 3.53820 0.07072 -0.01250 1.39972 189 4PX -0.01469 0.02607 0.02730 -0.02650 0.01023 190 4PY 0.03167 -0.05102 0.00875 -0.01723 -0.02300 191 4PZ -0.00437 0.00679 -0.03058 -0.02943 0.00366 192 5PX -0.06997 -0.53526 -0.11490 0.10425 -0.15679 193 5PY 0.13343 1.07035 -0.01705 0.06306 0.32360 194 5PZ -0.01452 -0.13346 0.11648 0.11373 -0.04283 191 192 193 194 V V V V EIGENVALUES -- 2.30405 2.31087 3.67490 11.94035 1 1 Cu 1S -0.56932 -0.40985 -1.03619 -1.29289 2 2S -1.08503 -0.78369 -1.73974 -2.05232 3 3S 1.65275 1.11334 6.16165 2.75330 4 4PX 0.01100 -0.01624 0.05423 0.02438 5 4PY 0.01726 0.00396 0.02320 0.07114 6 4PZ -0.02360 0.03655 0.02723 0.02195 7 5PX 0.10789 0.50356 -0.34220 -0.08476 8 5PY 0.03486 0.20425 -0.91308 0.82903 9 5PZ 0.60231 -0.51506 -0.28622 0.07892 10 6PX -0.49143 -1.35387 -0.51393 -0.21935 11 6PY 0.11880 -0.27637 -1.11903 -0.79063 12 6PZ -1.54524 1.21918 -0.39153 -0.26648 13 7D 0 0.00119 -0.03166 0.00638 -0.01189 14 7D+1 0.02537 0.02167 -0.00941 0.00676 15 7D-1 0.06379 -0.06622 0.00182 0.00612 16 7D+2 0.02433 0.00034 -0.00740 -0.01076 17 7D-2 -0.00800 0.04643 0.00553 0.00237 18 8D 0 -0.00569 0.11080 -0.04202 0.09669 19 8D+1 -0.09107 -0.07986 0.03442 -0.04478 20 8D-1 -0.23016 0.23441 -0.00090 -0.05961 21 8D+2 -0.09105 -0.00210 -0.00395 0.11051 22 8D-2 0.02042 -0.17116 -0.02923 -0.03204 23 2 Cu 1S 0.12001 -1.23558 -0.10945 -0.41024 24 2S 0.22541 -2.32211 -0.17654 -0.63831 25 3S -0.34597 3.48407 -2.30853 -4.29408 26 4PX 0.00213 0.03083 -0.00710 0.00823 27 4PY 0.00270 0.00896 0.00778 -0.00347 28 4PZ 0.01086 -0.02030 0.00092 -0.00332 29 5PX -0.08017 0.34713 0.32394 0.82351 30 5PY -0.02814 -0.01585 -0.35809 0.37599 31 5PZ -0.06164 -0.20702 -0.04228 -0.63087 32 6PX 0.19973 -0.17870 0.61237 0.54861 33 6PY 0.05854 0.68482 -0.24831 0.72343 34 6PZ 0.32432 -0.13139 -0.24891 -0.62124 35 7D 0 -0.00267 -0.00579 -0.00298 0.00462 36 7D+1 0.02908 -0.01192 0.00040 -0.00721 37 7D-1 -0.03603 -0.01492 -0.02285 0.00583 38 7D+2 0.03124 0.00302 -0.02363 0.01503 39 7D-2 -0.00980 0.00254 0.01257 0.00522 40 8D 0 0.01298 0.02648 0.01658 -0.02642 41 8D+1 -0.10597 0.06560 -0.00999 0.06474 42 8D-1 0.12603 0.05181 0.08546 -0.02291 43 8D+2 -0.10869 -0.03076 0.09962 -0.09865 44 8D-2 0.03184 -0.00561 -0.03580 -0.04412 45 3 Cu 1S 0.64009 -0.29161 -1.02985 -1.29653 46 2S 1.22056 -0.55762 -1.72864 -2.05816 47 3S -1.84238 0.78984 6.14562 2.76561 48 4PX -0.01092 -0.04130 0.00146 -0.02593 49 4PY -0.02014 -0.01559 -0.01409 0.03583 50 4PZ 0.01025 0.00023 -0.06328 -0.06490 51 5PX 0.29095 0.67992 0.32182 -0.37344 52 5PY 0.27593 0.33128 -0.44904 0.63608 53 5PZ 0.35992 -0.26076 0.85439 -0.41070 54 6PX -0.55723 -1.73678 0.36449 0.34052 55 6PY -0.98177 -0.63614 -0.48651 -0.42886 56 6PZ -0.96432 0.62558 1.12727 0.68734 57 7D 0 -0.03689 0.02703 -0.00358 0.00762 58 7D+1 -0.02170 -0.04743 0.00397 0.00700 59 7D-1 -0.03113 -0.02681 -0.01034 -0.00804 60 7D+2 -0.02291 -0.06750 0.00632 -0.00678 61 7D-2 0.02442 0.03387 0.00691 -0.01130 62 8D 0 0.13993 -0.10002 0.00640 -0.06433 63 8D+1 0.07725 0.16697 -0.00076 -0.07114 64 8D-1 0.11135 0.09526 0.01536 0.09167 65 8D+2 0.08557 0.24061 -0.03600 0.04979 66 8D-2 -0.08229 -0.12352 -0.04835 0.09024 67 4 Cu 1S 0.00118 -0.00665 -0.60503 -0.15524 68 2S 0.00180 -0.01219 -1.03132 -0.22329 69 3S -0.01735 0.06133 -3.09599 -2.05661 70 4PX 0.00421 0.00781 -0.01010 0.00176 71 4PY 0.00288 0.00426 0.01871 -0.00307 72 4PZ 0.00894 -0.00507 -0.00175 0.00021 73 5PX -0.05085 -0.09401 -0.32590 -0.16588 74 5PY -0.03172 -0.05199 0.60969 0.29587 75 5PZ -0.10411 0.06046 -0.06198 -0.02288 76 6PX 0.22090 0.44372 -0.57141 -0.38588 77 6PY 0.16370 0.21308 1.03064 0.75007 78 6PZ 0.47393 -0.27558 -0.08395 -0.09020 79 7D 0 0.02479 -0.00529 0.00398 0.00930 80 7D+1 -0.01838 -0.02425 -0.00035 -0.00141 81 7D-1 0.01511 -0.02594 0.00148 0.00238 82 7D+2 -0.01862 -0.01049 0.00402 0.00907 83 7D-2 -0.00960 0.01340 0.00547 0.01374 84 8D 0 -0.08720 0.01852 -0.00025 -0.04697 85 8D+1 0.06576 0.08528 -0.00081 0.00707 86 8D-1 -0.05485 0.09246 -0.00172 -0.01216 87 8D+2 0.06663 0.03826 -0.00090 -0.04583 88 8D-2 0.03350 -0.04834 0.00103 -0.06920 89 5 Cu 1S -1.13378 0.52187 -0.13489 -0.37602 90 2S -2.12968 0.98156 -0.21699 -0.58632 91 3S 3.21694 -1.41321 -2.23911 -4.30638 92 4PX 0.00742 0.00688 -0.00501 0.00405 93 4PY 0.00212 0.00478 0.00931 -0.00702 94 4PZ 0.03439 -0.01617 -0.00232 0.00525 95 5PX 0.04941 -0.11564 0.23363 0.03659 96 5PY -0.12371 0.00171 -0.39822 0.12236 97 5PZ 0.33231 -0.16079 0.18531 1.05637 98 6PX -0.14383 0.41655 0.25357 -0.18370 99 6PY 0.64349 -0.09970 -0.40111 0.58035 100 6PZ 0.10381 -0.09187 0.56542 0.95573 101 7D 0 0.01102 -0.00735 -0.00071 0.01240 102 7D+1 0.00559 0.01076 -0.01394 0.00461 103 7D-1 0.00899 0.00863 0.02856 -0.00701 104 7D+2 0.01384 0.04412 -0.00898 0.00649 105 7D-2 -0.01894 -0.02332 -0.00818 0.00768 106 8D 0 -0.06104 0.03666 0.01747 -0.10098 107 8D+1 -0.03258 -0.03672 0.05296 -0.02917 108 8D-1 -0.01940 -0.03851 -0.10638 0.03650 109 8D+2 -0.04673 -0.15607 0.03956 -0.03845 110 8D-2 0.07107 0.07905 0.03903 -0.04607 111 6 Cu 1S -0.00606 0.01317 1.14788 -3.45364 112 2S -0.01166 0.02331 1.94110 -5.53077 113 3S 0.01585 -0.06591 -5.52157 11.93429 114 4PX -0.02097 -0.04075 0.01428 0.04210 115 4PY -0.01491 -0.02165 -0.02784 -0.07734 116 4PZ -0.04465 0.02608 0.00318 0.00715 117 5PX 0.38600 0.72296 1.79298 -3.42538 118 5PY 0.25527 0.46205 -3.40233 6.55216 119 5PZ 0.80174 -0.48629 0.35993 -0.72445 120 6PX 0.00801 0.05675 -0.21504 0.08600 121 6PY 0.01285 0.00408 0.58068 -0.46508 122 6PZ 0.03012 -0.03146 -0.13917 0.18648 123 7D 0 -0.04364 0.00937 0.00645 -0.04150 124 7D+1 0.02729 0.04307 -0.00143 0.00717 125 7D-1 -0.01815 0.04034 0.00281 -0.01311 126 7D+2 0.02753 0.01278 0.00698 -0.04261 127 7D-2 0.01796 -0.01876 0.00890 -0.06031 128 8D 0 0.15648 -0.03208 -0.07807 0.31635 129 8D+1 -0.09637 -0.15562 0.01488 -0.05365 130 8D-1 0.06255 -0.14307 -0.02875 0.09943 131 8D+2 -0.09772 -0.04221 -0.08196 0.32365 132 8D-2 -0.06556 0.06857 -0.11059 0.45925 133 7 Cu 1S 1.01160 0.73066 -0.12763 -0.38465 134 2S 1.90021 1.37410 -0.20582 -0.59946 135 3S -2.87888 -1.99424 -2.26903 -4.30462 136 4PX 0.01983 0.01887 -0.00339 -0.00017 137 4PY 0.01697 0.01385 0.01031 -0.00962 138 4PZ 0.01835 0.00092 -0.00018 -0.00126 139 5PX 0.18177 0.10216 0.10783 -0.84011 140 5PY 0.26214 0.17653 -0.48568 -0.49602 141 5PZ 0.05216 0.15968 -0.02727 -0.44429 142 6PX 0.28899 0.39593 -0.17097 -1.01379 143 6PY -0.45241 -0.24863 -0.69688 -0.02285 144 6PZ 0.31657 -0.18600 -0.15871 -0.49183 145 7D 0 0.00787 0.00616 -0.00559 0.00304 146 7D+1 -0.00152 -0.02041 0.01502 -0.00084 147 7D-1 -0.03178 0.03753 -0.00884 0.00710 148 7D+2 -0.01186 0.00883 0.02359 -0.00133 149 7D-2 0.00850 -0.01711 -0.01683 0.01646 150 8D 0 -0.03536 -0.03139 0.02406 -0.01107 151 8D+1 0.01526 0.07565 -0.05316 -0.01106 152 8D-1 0.12429 -0.12501 0.03852 -0.05151 153 8D+2 0.03194 -0.03653 -0.08180 -0.00191 154 8D-2 -0.01371 0.07304 0.07851 -0.11558 155 8 Cu 1S -0.06570 0.69408 -1.05137 -1.27432 156 2S -0.12450 1.32240 -1.76397 -2.02445 157 3S 0.20921 -2.02438 6.26475 2.67501 158 4PX -0.02396 0.01076 -0.04563 -0.06733 159 4PY -0.01485 -0.01119 -0.02822 0.02161 160 4PZ -0.03848 -0.00732 0.03785 0.03044 161 5PX 0.37499 0.31594 0.90316 -0.61646 162 5PY 0.25201 0.25759 -0.25742 0.52578 163 5PZ 0.70243 -0.18693 -0.42000 0.14326 164 6PX -0.90983 -0.71256 1.17342 0.70767 165 6PY -0.58558 -0.95482 -0.29841 -0.19512 166 6PZ -1.74057 0.55738 -0.56248 -0.34136 167 7D 0 0.03543 0.00848 0.00383 -0.00868 168 7D+1 -0.05937 0.03062 0.00474 -0.01227 169 7D-1 0.05157 0.03025 0.01002 -0.00110 170 7D+2 -0.05754 -0.01360 0.00708 0.00558 171 7D-2 0.00114 -0.02081 -0.00274 -0.01017 172 8D 0 -0.12494 -0.02597 -0.03143 0.07200 173 8D+1 0.21174 -0.11360 -0.02451 0.10169 174 8D-1 -0.18474 -0.10798 -0.03063 -0.00668 175 8D+2 0.20451 0.05529 -0.02385 -0.06089 176 8D-2 -0.00610 0.08216 -0.02110 0.09632 177 9 C 1S 0.00012 -0.00047 0.01832 -0.04740 178 2S 0.00610 -0.02907 0.51235 -0.87798 179 3S -0.03733 0.17402 -1.50965 4.08313 180 4PX 0.02691 0.06167 0.01485 -0.07748 181 4PY 0.02229 0.01727 -0.03008 0.14552 182 4PZ 0.05959 -0.03414 0.00369 -0.01522 183 5PX -0.25569 -0.51704 1.25325 -2.03368 184 5PY -0.19235 -0.24519 -2.43496 3.94014 185 5PZ -0.55327 0.32101 0.28199 -0.45710 186 10 O 1S 0.00028 -0.00147 -0.00271 -0.01167 187 2S -0.00985 0.05255 0.63863 -0.50631 188 3S 0.02314 -0.12450 -1.82171 1.84652 189 4PX -0.04039 -0.08166 0.05352 -0.09568 190 4PY -0.03033 -0.03771 -0.09426 0.17845 191 4PZ -0.08752 0.05051 0.00803 -0.01896 192 5PX 0.14327 0.31107 -0.05965 0.26560 193 5PY 0.11580 0.10506 0.06285 -0.45646 194 5PZ 0.31598 -0.17871 0.00660 0.03993 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 2.00808 2 2S 0.01173 0.30095 3 3S 0.03924 0.05491 0.67392 4 4PX 0.00360 0.01790 -0.06363 1.99698 5 4PY 0.00425 0.02306 -0.11643 -0.00276 1.99608 6 4PZ 0.00223 0.01136 -0.04606 -0.00098 -0.00157 7 5PX -0.00446 -0.02910 -0.10188 0.02955 0.01683 8 5PY -0.00663 -0.03125 -0.09362 0.01447 0.04666 9 5PZ -0.00301 -0.01755 -0.05950 0.00688 0.01166 10 6PX -0.00549 0.02964 -0.04589 -0.03623 0.02999 11 6PY -0.00686 0.03145 -0.05400 0.02654 -0.01948 12 6PZ -0.00348 0.01801 -0.02752 0.01279 0.01890 13 7D 0 -0.00006 -0.00570 -0.04155 0.00209 -0.00117 14 7D+1 -0.00034 0.01018 0.08023 -0.00263 0.00380 15 7D-1 -0.00017 0.01116 0.11137 0.00316 -0.00024 16 7D+2 -0.00053 0.00013 -0.01029 -0.00420 0.00467 17 7D-2 -0.00056 0.01972 0.20126 0.00121 -0.00206 18 8D 0 -0.00040 -0.00248 -0.01579 0.00072 0.00119 19 8D+1 0.00008 0.00486 0.02800 -0.00081 0.00067 20 8D-1 0.00015 0.00532 0.03829 0.00041 -0.00122 21 8D+2 -0.00055 0.00041 -0.00495 -0.00155 0.00342 22 8D-2 -0.00011 0.00964 0.06777 -0.00034 -0.00135 23 2 Cu 1S -0.00226 -0.00663 -0.00556 -0.00143 0.00213 24 2S -0.00573 0.14454 -0.09638 -0.02739 0.02276 25 3S -0.00998 0.08087 -0.17907 -0.01025 0.02157 26 4PX 0.00126 0.01440 0.02294 0.00028 0.00069 27 4PY 0.00026 -0.00488 -0.02474 -0.00237 0.00131 28 4PZ -0.00097 -0.01635 -0.06107 -0.00133 -0.00111 29 5PX 0.00189 -0.01968 0.03195 -0.00354 -0.00135 30 5PY -0.00184 0.01688 -0.02100 0.00398 0.00127 31 5PZ -0.00212 0.03253 -0.02595 0.00085 0.00990 32 6PX 0.00282 -0.00075 0.03173 0.00945 -0.00820 33 6PY 0.00089 -0.01344 0.00211 0.01243 0.00410 34 6PZ -0.00153 -0.00071 -0.04112 0.01311 -0.00708 35 7D 0 0.00266 0.02383 0.10811 -0.01575 0.01022 36 7D+1 -0.00133 -0.03189 -0.22222 0.00690 -0.01373 37 7D-1 0.00344 0.06071 0.20752 -0.01910 -0.00152 38 7D+2 -0.00213 -0.01468 0.02105 0.00779 0.00767 39 7D-2 -0.00104 -0.01890 -0.13777 0.00561 -0.00241 40 8D 0 0.00122 0.00784 0.03641 -0.00450 0.00345 41 8D+1 -0.00092 -0.01287 -0.07588 -0.00077 -0.00349 42 8D-1 0.00143 0.01992 0.06909 -0.00469 -0.00181 43 8D+2 -0.00070 -0.00332 0.00703 0.00309 0.00289 44 8D-2 -0.00052 -0.00653 -0.04565 -0.00020 0.00008 45 3 Cu 1S -0.00389 -0.01003 0.00198 0.00189 0.00127 46 2S -0.01002 0.07384 -0.09241 0.01321 0.00397 47 3S 0.00201 -0.09269 0.01851 0.02123 0.02078 48 4PX -0.00199 -0.02172 0.00368 0.00453 -0.00242 49 4PY -0.00145 -0.02055 0.00833 -0.00207 0.00413 50 4PZ -0.00327 -0.02419 -0.02834 -0.00161 -0.00062 51 5PX -0.00163 0.03423 -0.01078 -0.00913 0.00991 52 5PY -0.00148 0.04393 -0.00831 0.00836 -0.00683 53 5PZ -0.00324 0.02128 -0.01480 0.01073 0.00765 54 6PX -0.00096 -0.01314 -0.03750 0.01960 -0.01241 55 6PY -0.00135 0.00893 -0.03744 -0.01493 0.00694 56 6PZ 0.00095 -0.02273 -0.00532 -0.00529 0.00639 57 7D 0 -0.00247 0.01252 0.14173 0.01559 0.01103 58 7D+1 0.00034 0.03822 0.24932 0.00754 0.00820 59 7D-1 0.00033 0.02452 0.20476 0.00913 0.00085 60 7D+2 -0.00158 -0.01699 0.03754 -0.00236 0.00682 61 7D-2 0.00316 0.05171 0.12134 -0.00078 -0.00558 62 8D 0 -0.00090 0.00435 0.04764 0.00463 0.00331 63 8D+1 0.00023 0.01231 0.08559 0.00031 0.00237 64 8D-1 0.00023 0.00735 0.06835 0.00241 -0.00082 65 8D+2 -0.00050 -0.00619 0.01127 -0.00198 0.00263 66 8D-2 0.00099 0.01736 0.04008 -0.00075 -0.00206 67 4 Cu 1S -0.00213 -0.00616 -0.00416 0.00390 -0.00112 68 2S -0.00478 0.13137 -0.01292 0.04337 -0.02910 69 3S -0.01059 0.06265 -0.19244 0.02537 -0.00357 70 4PX -0.00050 -0.01557 -0.06506 0.00141 -0.00218 71 4PY 0.00083 0.01271 0.01187 0.00169 -0.00015 72 4PZ -0.00011 -0.00518 -0.02770 0.00008 -0.00126 73 5PX -0.00288 0.02895 -0.03807 0.00524 0.00410 74 5PY 0.00196 -0.01187 0.03448 -0.00342 -0.00280 75 5PZ -0.00101 0.01133 -0.01204 0.00593 0.00276 76 6PX -0.00103 0.00171 -0.03509 -0.00879 0.01535 77 6PY 0.00333 -0.00931 0.05783 -0.00675 0.00841 78 6PZ 0.00003 -0.00046 -0.00829 -0.01121 0.00611 79 7D 0 -0.00074 -0.02651 -0.11494 -0.00713 0.00573 80 7D+1 0.00343 0.04800 0.14792 0.01487 -0.01415 81 7D-1 -0.00038 -0.00885 -0.08591 -0.01121 0.00136 82 7D+2 0.00490 0.04836 0.14714 0.00707 -0.02137 83 7D-2 -0.00015 -0.02535 -0.22521 -0.02371 0.00275 84 8D 0 -0.00040 -0.00934 -0.03952 -0.00052 0.00092 85 8D+1 0.00141 0.01587 0.04962 0.00331 -0.00367 86 8D-1 -0.00022 -0.00340 -0.02919 -0.00321 -0.00076 87 8D+2 0.00192 0.01555 0.04825 0.00007 -0.00645 88 8D-2 -0.00028 -0.00989 -0.07726 -0.00570 -0.00204 89 5 Cu 1S -0.00226 -0.00662 -0.00541 0.00129 0.00301 90 2S -0.00573 0.14506 -0.09521 0.00491 0.03328 91 3S -0.01008 0.08159 -0.18166 0.00615 0.02776 92 4PX 0.00012 -0.00182 -0.02686 0.00127 0.00009 93 4PY -0.00013 -0.01021 -0.04114 -0.00094 0.00148 94 4PZ 0.00160 0.01975 0.04995 0.00022 0.00143 95 5PX -0.00010 0.00903 0.00444 -0.00540 0.00521 96 5PY -0.00245 0.02597 -0.02979 0.00730 0.00457 97 5PZ 0.00230 -0.03099 0.03539 -0.00217 -0.00711 98 6PX 0.00065 0.00018 -0.00912 0.01035 -0.01256 99 6PY 0.00023 -0.01324 -0.01188 -0.00325 -0.00267 100 6PZ 0.00326 -0.00313 0.04988 -0.00305 -0.00214 101 7D 0 -0.00076 0.00062 0.10394 0.00625 0.01618 102 7D+1 -0.00265 -0.01731 -0.06326 0.00960 -0.00768 103 7D-1 -0.00295 -0.05599 -0.29710 -0.00643 -0.01716 104 7D+2 -0.00213 -0.03604 -0.12520 -0.00479 -0.00154 105 7D-2 0.00233 0.03336 0.06458 -0.00989 0.00076 106 8D 0 0.00004 0.00263 0.03627 0.00188 0.00465 107 8D+1 -0.00114 -0.00523 -0.02160 0.00409 -0.00210 108 8D-1 -0.00148 -0.01966 -0.09939 -0.00212 -0.00309 109 8D+2 -0.00091 -0.01208 -0.04249 -0.00202 0.00108 110 8D-2 0.00092 0.01057 0.02160 -0.00456 -0.00031 111 6 Cu 1S -0.00320 -0.00551 -0.00724 -0.00112 0.00231 112 2S -0.00811 0.05852 -0.09702 -0.00991 0.03014 113 3S -0.00467 -0.04642 -0.15234 0.01897 0.02480 114 4PX -0.00046 -0.01207 -0.00811 0.00220 0.00216 115 4PY -0.00188 -0.03708 -0.00116 0.00131 -0.00420 116 4PZ -0.00048 -0.01078 -0.00434 -0.00156 -0.00049 117 5PX 0.00061 0.04655 0.04844 -0.00921 -0.00512 118 5PY -0.00894 0.04428 -0.16053 0.00133 0.03921 119 5PZ -0.00100 0.02756 0.00028 0.00483 0.00607 120 6PX -0.00024 -0.01930 0.02796 0.00724 0.00378 121 6PY -0.00103 -0.00855 -0.02461 0.00158 0.00465 122 6PZ -0.00018 -0.01098 0.00973 -0.00966 -0.00230 123 7D 0 -0.00046 -0.03823 -0.06573 0.00353 -0.01391 124 7D+1 0.00169 0.02166 0.01673 -0.00390 0.00100 125 7D-1 0.00121 0.01978 0.06662 -0.00004 0.00612 126 7D+2 0.00127 -0.03336 -0.12067 0.00044 -0.02207 127 7D-2 0.00252 0.00868 0.06601 -0.00613 -0.00475 128 8D 0 0.00015 -0.01292 -0.02280 0.00120 -0.00338 129 8D+1 0.00058 0.00768 0.00560 -0.00147 0.00090 130 8D-1 0.00033 0.00515 0.02280 0.00033 0.00171 131 8D+2 0.00094 -0.00974 -0.04176 -0.00047 -0.00450 132 8D-2 0.00101 0.00014 0.02227 -0.00288 -0.00117 133 7 Cu 1S 0.00082 -0.00184 0.00361 -0.00099 -0.00075 134 2S -0.00235 -0.12228 -0.06709 0.00461 0.01019 135 3S -0.00598 0.00711 -0.02299 -0.01317 -0.00756 136 4PX 0.00211 0.00298 0.01466 0.00099 -0.00167 137 4PY 0.00325 0.00217 0.01472 -0.00164 -0.00021 138 4PZ 0.00142 0.00164 0.00894 -0.00107 -0.00119 139 5PX -0.00134 0.00335 -0.03203 -0.00582 0.00209 140 5PY -0.00128 0.00930 -0.03890 0.00005 -0.00486 141 5PZ -0.00079 0.00286 -0.02004 0.00076 0.00132 142 6PX 0.00036 0.02562 0.03834 -0.00533 0.00061 143 6PY -0.00049 0.02873 0.01491 0.00076 -0.00582 144 6PZ 0.00005 0.01605 0.01951 0.00017 0.00035 145 7D 0 0.00164 0.00106 0.08923 -0.00218 -0.00222 146 7D+1 -0.00200 -0.00023 -0.10714 0.00191 -0.00097 147 7D-1 -0.00254 -0.01046 -0.10466 -0.00107 0.00042 148 7D+2 0.00091 0.00900 0.03190 0.00362 -0.00418 149 7D-2 -0.00397 -0.01906 -0.15298 0.00438 0.00070 150 8D 0 0.00056 0.00205 0.03239 -0.00061 -0.00077 151 8D+1 -0.00074 -0.00167 -0.03854 0.00038 -0.00056 152 8D-1 -0.00079 -0.00584 -0.03778 -0.00089 -0.00019 153 8D+2 0.00015 0.00456 0.01198 0.00184 -0.00141 154 8D-2 -0.00122 -0.00983 -0.05495 0.00104 -0.00033 155 8 Cu 1S -0.00391 -0.01004 0.00201 0.00364 0.00187 156 2S -0.01002 0.07429 -0.09140 0.03492 0.01101 157 3S 0.00199 -0.09217 0.01675 0.01345 0.01815 158 4PX -0.00361 -0.03016 -0.01946 0.00209 -0.00249 159 4PY -0.00194 -0.02320 0.00101 -0.00159 0.00449 160 4PZ 0.00027 -0.00554 0.02271 0.00156 -0.00116 161 5PX -0.00330 0.03387 -0.01739 0.00211 0.01332 162 5PY -0.00201 0.04378 -0.01010 0.01057 -0.00617 163 5PZ 0.00049 0.02218 -0.00048 -0.00345 0.00346 164 6PX 0.00018 -0.02610 -0.02587 0.00280 -0.00688 165 6PY -0.00103 0.00431 -0.03151 -0.01136 0.01180 166 6PZ -0.00167 0.00688 -0.03271 0.00680 -0.01389 167 7D 0 -0.00032 -0.02756 -0.18883 -0.01516 -0.00684 168 7D+1 0.00154 -0.00427 -0.00677 -0.00693 -0.00339 169 7D-1 0.00319 0.03312 -0.01825 -0.00200 -0.00564 170 7D+2 -0.00194 0.00774 0.15469 0.01365 0.01557 171 7D-2 0.00150 0.05708 0.28363 0.02395 0.00530 172 8D 0 -0.00025 -0.00878 -0.06554 -0.00245 -0.00121 173 8D+1 0.00062 -0.00209 -0.00297 -0.00196 -0.00066 174 8D-1 0.00099 0.01159 -0.00547 0.00046 -0.00114 175 8D+2 -0.00063 0.00233 0.05217 0.00128 0.00500 176 8D-2 0.00053 0.01854 0.09472 0.00511 0.00019 177 9 C 1S -0.00081 0.00788 -0.02312 -0.00096 0.00328 178 2S 0.00318 -0.01556 0.06538 0.00175 -0.00878 179 3S 0.00195 -0.02626 0.06067 0.00781 -0.00656 180 4PX -0.00066 0.03959 -0.07488 -0.00463 0.00334 181 4PY 0.00067 -0.00344 0.08320 0.00029 -0.00647 182 4PZ -0.00025 0.01836 -0.02879 0.00163 0.00255 183 5PX 0.00040 0.02029 -0.00313 -0.00266 -0.00595 184 5PY 0.00118 -0.00589 -0.01175 0.00230 -0.00077 185 5PZ 0.00035 0.00875 -0.00328 0.00036 -0.00244 186 10 O 1S -0.00015 -0.00167 -0.01320 0.00027 -0.00077 187 2S -0.00005 0.00541 0.02183 -0.00087 0.00202 188 3S -0.00042 -0.00282 0.03638 -0.00062 0.00388 189 4PX -0.00040 -0.03510 0.04095 0.00420 -0.00150 190 4PY 0.00119 -0.00574 -0.07616 0.00008 0.00421 191 4PZ 0.00004 -0.01765 0.00989 -0.00177 -0.00195 192 5PX -0.00017 -0.02111 0.01372 0.00235 0.00175 193 5PY -0.00003 -0.00691 -0.01234 -0.00002 0.00207 194 5PZ -0.00006 -0.01082 0.00481 -0.00117 0.00011 6 7 8 9 10 6 4PZ 1.99758 7 5PX 0.00725 0.08835 8 5PY 0.01069 -0.01320 0.07678 9 5PZ 0.02383 -0.00264 -0.00789 0.08772 10 6PX 0.01346 0.01541 0.00336 -0.00145 0.07652 11 6PY 0.01734 0.00165 0.00798 -0.00126 -0.03163 12 6PZ -0.04754 -0.00186 -0.00060 0.01887 -0.01435 13 7D 0 -0.00194 -0.04463 -0.00777 0.02806 -0.07195 14 7D+1 -0.00154 0.05974 -0.04320 0.03086 0.10069 15 7D-1 -0.00397 -0.04428 0.00792 0.09974 -0.08268 16 7D+2 -0.00129 0.06484 -0.08959 0.02379 0.09546 17 7D-2 0.00301 0.01802 0.03113 -0.04603 0.02324 18 8D 0 -0.00068 -0.01413 -0.00196 0.00924 -0.02428 19 8D+1 -0.00108 0.01922 -0.01476 0.00949 0.03419 20 8D-1 -0.00104 -0.01513 0.00172 0.03259 -0.02754 21 8D+2 0.00015 0.02130 -0.02903 0.00811 0.03133 22 8D-2 0.00033 0.00517 0.00893 -0.01567 0.00753 23 2 Cu 1S 0.00332 -0.00004 0.00248 0.00190 -0.00267 24 2S 0.03482 0.06732 -0.02574 -0.05851 0.01824 25 3S 0.02111 0.02167 0.00890 0.01510 -0.02316 26 4PX 0.00136 0.00242 -0.00500 -0.00969 0.00075 27 4PY 0.00101 0.00784 -0.00782 0.00234 0.00305 28 4PZ 0.00182 -0.00110 0.01171 -0.00071 -0.00902 29 5PX -0.00512 0.00357 -0.00338 -0.00169 0.01597 30 5PY 0.00627 -0.00868 0.00861 0.00577 0.00222 31 5PZ -0.00044 -0.00746 -0.00087 0.01368 -0.00245 32 6PX -0.00293 0.00071 -0.00553 -0.00760 -0.01828 33 6PY -0.01767 -0.00638 0.00229 0.00495 -0.01204 34 6PZ -0.00110 0.00405 0.00378 0.00649 -0.01839 35 7D 0 0.00168 0.07314 -0.07342 0.00951 0.01082 36 7D+1 -0.02018 -0.00147 0.04166 0.08881 0.09151 37 7D-1 0.01582 0.08260 -0.03205 -0.09054 -0.04249 38 7D+2 0.00222 -0.03328 -0.03825 0.02924 0.03949 39 7D-2 -0.01682 -0.00407 0.02277 0.06965 0.04011 40 8D 0 -0.00190 0.02421 -0.02457 0.00329 0.00375 41 8D+1 -0.00384 -0.00076 0.01451 0.03087 0.03133 42 8D-1 0.00293 0.02757 -0.01109 -0.03018 -0.01423 43 8D+2 0.00040 -0.01026 -0.01342 0.00938 0.01272 44 8D-2 -0.00473 -0.00167 0.00751 0.02323 0.01364 45 3 Cu 1S 0.00340 0.00208 0.00112 0.00314 -0.00085 46 2S 0.03592 -0.01154 0.01187 -0.05735 0.00760 47 3S 0.00206 0.00811 0.00503 0.01763 -0.00459 48 4PX -0.00078 -0.01127 0.00513 0.00704 0.01837 49 4PY 0.00057 0.00503 -0.01146 -0.00074 -0.01471 50 4PZ 0.00160 0.01056 0.00376 0.00669 -0.00618 51 5PX 0.00663 0.01420 -0.00609 -0.00767 0.02353 52 5PY 0.00394 -0.00869 0.01691 -0.00658 0.00169 53 5PZ -0.00008 -0.00250 0.00152 0.00422 0.00013 54 6PX -0.00835 0.02384 -0.00062 0.00433 -0.01758 55 6PY 0.00125 -0.00309 0.00824 0.01765 0.02629 56 6PZ -0.00102 0.00231 0.00401 0.02056 0.00674 57 7D 0 0.01129 -0.02867 -0.04660 -0.04564 -0.01062 58 7D+1 0.02134 -0.07429 -0.03262 -0.07964 0.01294 59 7D-1 0.01297 -0.03425 -0.06046 -0.06656 -0.04084 60 7D+2 0.00408 -0.01594 -0.02329 -0.00324 -0.02815 61 7D-2 0.01298 -0.00478 -0.00269 -0.05803 -0.01623 62 8D 0 0.00077 -0.00902 -0.01563 -0.01624 -0.00285 63 8D+1 0.00404 -0.02593 -0.01069 -0.02684 0.00314 64 8D-1 0.00178 -0.01105 -0.02080 -0.02236 -0.01340 65 8D+2 0.00063 -0.00551 -0.00738 -0.00075 -0.00955 66 8D-2 0.00421 -0.00150 -0.00101 -0.01987 -0.00501 67 4 Cu 1S 0.00160 0.00266 0.00033 0.00125 0.00133 68 2S 0.01534 -0.07989 0.06788 -0.02603 0.01683 69 3S 0.01104 0.02072 0.03125 0.01415 0.03709 70 4PX -0.00048 0.00413 0.00402 0.00642 0.02158 71 4PY 0.00048 -0.00967 0.00283 -0.00265 0.00436 72 4PZ 0.00162 0.00442 0.00354 -0.00633 0.01644 73 5PX 0.00704 0.01589 -0.00860 0.00263 0.01382 74 5PY -0.00065 -0.00408 0.00064 -0.00290 -0.00816 75 5PZ -0.00591 0.00327 -0.00491 0.00813 0.00004 76 6PX -0.00788 0.00634 0.00108 0.00149 0.01114 77 6PY -0.00383 -0.01257 -0.00280 -0.00647 0.00900 78 6PZ 0.00957 -0.00037 -0.00043 0.00327 0.02245 79 7D 0 -0.01177 0.02196 -0.02928 0.08429 -0.06393 80 7D+1 -0.00661 -0.10096 0.06238 0.04355 -0.02028 81 7D-1 0.00121 0.03701 0.00566 0.01091 -0.05162 82 7D+2 0.00702 -0.05577 0.09161 -0.05727 0.04209 83 7D-2 -0.01068 0.09582 0.01828 0.03127 0.00082 84 8D 0 -0.00428 0.00802 -0.00983 0.02856 -0.02157 85 8D+1 -0.00406 -0.03384 0.02048 0.01441 -0.00706 86 8D-1 0.00116 0.01236 0.00172 0.00408 -0.01731 87 8D+2 0.00219 -0.01798 0.03004 -0.01885 0.01387 88 8D-2 -0.00305 0.03309 0.00572 0.01066 -0.00057 89 5 Cu 1S -0.00263 0.00109 0.00274 -0.00063 -0.00068 90 2S -0.03670 0.00476 -0.04666 0.08038 0.01747 91 3S -0.01554 0.02525 0.00941 0.00836 0.00516 92 4PX -0.00187 -0.00604 0.00409 0.00607 -0.00294 93 4PY -0.00252 0.00748 -0.00389 0.00224 0.01349 94 4PZ 0.00068 -0.00022 -0.01444 0.00392 0.00265 95 5PX 0.00272 0.00510 -0.00145 -0.00777 0.01021 96 5PY 0.00012 -0.00136 0.01147 -0.01155 0.00349 97 5PZ -0.00216 -0.00286 -0.00249 0.00955 -0.00326 98 6PX 0.00866 0.00232 -0.00181 0.00302 -0.02559 99 6PY 0.02177 0.00117 0.00636 -0.00689 0.01584 100 6PZ 0.00463 -0.00798 -0.00746 0.00138 0.00747 101 7D 0 0.00049 -0.02422 -0.04135 -0.02247 -0.01282 102 7D+1 0.00831 -0.04106 0.04347 -0.03310 0.00322 103 7D-1 0.02761 0.03241 0.10348 -0.09313 -0.01570 104 7D+2 0.01553 0.06390 0.00256 -0.08285 0.14309 105 7D-2 -0.00914 0.04973 -0.03517 0.05226 0.04621 106 8D 0 0.00256 -0.00854 -0.01481 -0.00665 -0.00386 107 8D+1 0.00139 -0.01341 0.01412 -0.01064 0.00094 108 8D-1 0.00488 0.01071 0.03520 -0.03157 -0.00526 109 8D+2 0.00371 0.02187 0.00089 -0.02770 0.04806 110 8D-2 -0.00226 0.01656 -0.01198 0.01709 0.01559 111 6 Cu 1S -0.00016 0.00057 0.00712 0.00129 0.00183 112 2S 0.00012 0.02688 -0.03168 0.00708 0.00993 113 3S 0.01218 0.00107 0.06437 0.00982 0.01057 114 4PX -0.00144 -0.00430 -0.00289 0.00403 0.00297 115 4PY -0.00090 -0.00660 0.01891 0.00181 -0.00199 116 4PZ 0.00529 0.00350 0.00360 -0.01213 -0.00903 117 5PX 0.00400 0.00601 -0.00555 -0.00845 0.00913 118 5PY 0.00927 0.03192 0.00516 0.01239 0.01488 119 5PZ -0.01659 -0.00291 -0.00530 0.02020 -0.00680 120 6PX -0.00977 -0.01209 -0.00306 -0.00234 0.00757 121 6PY -0.00310 -0.00320 0.00440 0.00007 0.00536 122 6PZ 0.02526 -0.00296 0.00141 -0.00820 0.02678 123 7D 0 -0.00262 -0.01305 0.05403 0.00021 -0.01280 124 7D+1 -0.00119 0.01574 -0.00866 0.00893 0.03096 125 7D-1 -0.00751 0.00698 -0.03116 -0.01490 -0.01576 126 7D+2 -0.00421 0.00821 0.08868 0.01376 0.05909 127 7D-2 0.00047 -0.00440 -0.01144 0.00188 -0.04575 128 8D 0 -0.00140 -0.00403 0.01807 0.00047 -0.00455 129 8D+1 -0.00065 0.00484 -0.00299 0.00358 0.01058 130 8D-1 -0.00365 0.00276 -0.01004 -0.00676 -0.00481 131 8D+2 -0.00127 0.00355 0.02974 0.00433 0.02045 132 8D-2 0.00049 -0.00202 -0.00380 0.00123 -0.01504 133 7 Cu 1S -0.00055 -0.00031 -0.00016 -0.00016 0.00001 134 2S 0.00354 -0.00364 -0.01054 -0.00314 -0.02279 135 3S -0.00696 -0.00422 -0.02237 -0.00515 -0.00955 136 4PX -0.00108 -0.00677 -0.00040 -0.00080 0.00800 137 4PY -0.00118 -0.00108 -0.00380 -0.00035 -0.00798 138 4PZ 0.00217 -0.00090 -0.00005 -0.00556 -0.00383 139 5PX 0.00108 0.01659 -0.00260 -0.00209 0.00392 140 5PY 0.00039 -0.00176 0.01307 -0.00180 0.00397 141 5PZ -0.00692 -0.00196 -0.00222 0.01912 0.00199 142 6PX 0.00014 -0.01689 -0.00746 -0.00400 0.00945 143 6PY 0.00036 0.00200 -0.00781 0.00134 -0.00771 144 6PZ -0.00542 -0.00262 -0.00319 -0.01198 -0.00776 145 7D 0 0.00349 -0.00587 -0.01517 -0.01999 -0.05127 146 7D+1 0.00347 0.00824 0.03276 0.00060 0.08672 147 7D-1 0.00581 0.01962 0.02416 -0.00914 -0.01978 148 7D+2 0.00017 -0.01755 0.01154 -0.00405 0.01359 149 7D-2 -0.00149 0.00867 0.03561 0.02097 0.00479 150 8D 0 0.00173 -0.00253 -0.00561 -0.00694 -0.01697 151 8D+1 0.00142 0.00345 0.01138 0.00053 0.02900 152 8D-1 0.00199 0.00698 0.00858 -0.00242 -0.00644 153 8D+2 0.00015 -0.00596 0.00337 -0.00140 0.00479 154 8D-2 -0.00103 0.00376 0.01259 0.00733 0.00174 155 8 Cu 1S -0.00045 0.00358 0.00159 -0.00021 0.00048 156 2S -0.01210 -0.05137 -0.00138 0.03080 0.01125 157 3S 0.01926 0.01819 0.00796 -0.00407 0.03571 158 4PX 0.00054 0.00615 0.00961 -0.00460 0.00256 159 4PY -0.00177 0.00691 -0.01132 0.00368 -0.01149 160 4PZ 0.00364 -0.00853 0.00035 -0.01094 0.00604 161 5PX 0.00127 0.00534 -0.00583 0.00597 0.02550 162 5PY 0.00520 -0.01227 0.01669 -0.00068 0.01086 163 5PZ -0.01198 -0.00046 -0.00473 0.01334 0.00821 164 6PX 0.01101 0.02390 0.00337 0.00338 -0.00994 165 6PY -0.01169 0.01130 0.01449 -0.01561 -0.00072 166 6PZ 0.01106 0.00622 -0.00423 0.01437 -0.02708 167 7D 0 0.00172 0.07874 0.03398 0.01226 -0.02411 168 7D+1 -0.00891 0.00117 0.00815 -0.00312 0.00184 169 7D-1 -0.00868 -0.00473 0.03844 0.02356 0.01379 170 7D+2 -0.00195 -0.06271 -0.03755 -0.01778 0.00190 171 7D-2 -0.00598 -0.09806 -0.07810 0.02078 -0.01036 172 8D 0 0.00004 0.02690 0.01139 0.00466 -0.00742 173 8D+1 -0.00405 0.00064 0.00313 -0.00198 -0.00048 174 8D-1 -0.00382 -0.00206 0.01305 0.00765 0.00362 175 8D+2 -0.00045 -0.02162 -0.01204 -0.00606 0.00089 176 8D-2 -0.00118 -0.03299 -0.02678 0.00759 -0.00409 177 9 C 1S 0.00003 0.00307 -0.00158 0.00135 0.00294 178 2S -0.00048 -0.00896 -0.00066 -0.00466 -0.00816 179 3S 0.00275 -0.00877 0.01153 -0.00221 -0.01096 180 4PX 0.00257 0.01493 0.00649 -0.00137 -0.00596 181 4PY 0.00015 -0.00454 0.00135 -0.00368 -0.00911 182 4PZ -0.00778 -0.00144 0.00012 0.01805 -0.00133 183 5PX -0.00067 0.00431 0.00017 -0.00401 0.00271 184 5PY 0.00133 0.00187 0.00908 0.00057 -0.00086 185 5PZ -0.00330 -0.00347 -0.00084 0.01129 -0.00078 186 10 O 1S 0.00000 -0.00253 0.00558 -0.00034 -0.00166 187 2S -0.00007 0.00609 -0.01235 0.00096 0.00347 188 3S 0.00033 0.00474 -0.01072 0.00057 0.00457 189 4PX -0.00247 -0.01218 -0.00697 0.00432 -0.04615 190 4PY -0.00024 0.00154 -0.00275 0.00196 -0.02478 191 4PZ 0.00778 0.00386 0.00082 -0.02105 -0.01081 192 5PX -0.00114 -0.00683 -0.00409 0.00368 -0.02161 193 5PY -0.00023 -0.00189 -0.00360 0.00013 -0.01070 194 5PZ 0.00477 0.00325 0.00040 -0.01425 -0.00459 11 12 13 14 15 11 6PY 0.05766 12 6PZ -0.02036 0.08822 13 7D 0 0.01993 0.04081 1.48677 14 7D+1 -0.07946 0.03396 -0.00339 1.49207 15 7D-1 -0.00800 0.17687 0.00711 0.00238 1.50318 16 7D+2 -0.10899 0.05194 -0.00314 0.01124 -0.00250 17 7D-2 0.04519 -0.08569 -0.00466 -0.00022 -0.00119 18 8D 0 0.00736 0.01285 0.48554 -0.00158 0.00195 19 8D+1 -0.02649 0.01080 -0.00164 0.48829 0.00139 20 8D-1 -0.00263 0.05923 0.00215 0.00118 0.49139 21 8D+2 -0.03574 0.01765 -0.00273 0.00335 -0.00025 22 8D-2 0.01580 -0.02852 -0.00216 0.00059 0.00002 23 2 Cu 1S 0.00017 0.00165 0.00002 -0.00293 -0.00386 24 2S 0.02563 0.01194 0.00001 -0.05417 -0.00644 25 3S 0.02913 0.03364 0.05096 -0.21960 0.03884 26 4PX 0.00632 -0.00175 0.01575 -0.00558 0.01325 27 4PY 0.00738 0.01697 -0.01313 0.01623 0.00015 28 4PZ 0.01996 0.01038 0.00332 0.01651 -0.01732 29 5PX -0.00927 -0.01079 -0.05381 0.05155 -0.03911 30 5PY 0.00715 0.00077 0.02597 -0.06562 -0.00637 31 5PZ 0.00247 0.01683 0.00918 -0.06581 0.05884 32 6PX 0.01068 0.00014 0.02518 0.01050 0.02535 33 6PY -0.01468 0.03525 0.01300 0.02520 0.05198 34 6PZ 0.02257 -0.00686 0.01063 -0.03412 -0.01372 35 7D 0 -0.06200 0.08309 0.03517 0.01060 -0.00961 36 7D+1 -0.04714 0.02511 0.00177 -0.01050 0.03684 37 7D-1 -0.01508 0.03642 -0.01422 0.03034 0.00022 38 7D+2 -0.07412 0.08895 -0.01499 -0.02363 -0.02585 39 7D-2 -0.01112 -0.00988 0.03834 -0.00717 -0.00363 40 8D 0 -0.02095 0.02802 0.00421 0.00457 -0.00170 41 8D+1 -0.01599 0.00733 -0.00236 -0.00284 0.00815 42 8D-1 -0.00507 0.01203 -0.00629 0.00672 -0.00229 43 8D+2 -0.02443 0.03058 -0.00475 -0.00568 -0.00321 44 8D-2 -0.00412 -0.00326 0.00866 -0.00176 0.00082 45 3 Cu 1S -0.00127 0.00119 0.00297 -0.00002 -0.00298 46 2S 0.02324 0.01285 0.05342 0.04144 -0.00865 47 3S -0.01455 0.05100 0.22377 0.24431 0.15503 48 4PX -0.01325 -0.00876 -0.01502 -0.00611 -0.00978 49 4PY 0.00697 0.00116 -0.01248 -0.01074 0.00225 50 4PZ 0.00694 0.00016 -0.00523 -0.02098 -0.01812 51 5PX -0.00849 0.00719 0.04958 0.05189 0.01090 52 5PY 0.00641 0.01213 0.03844 0.02099 0.00005 53 5PZ 0.00574 0.02284 0.07320 0.09537 0.08233 54 6PX 0.02742 -0.01611 -0.01625 0.00091 -0.00426 55 6PY 0.00889 -0.03105 -0.03331 -0.02897 -0.02013 56 6PZ -0.01293 0.00493 0.03121 0.01630 0.01793 57 7D 0 0.02591 0.00031 0.02578 -0.03028 -0.02546 58 7D+1 -0.05165 0.01200 -0.02192 -0.01541 -0.02974 59 7D-1 -0.04018 0.01970 -0.01926 -0.02528 0.01058 60 7D+2 -0.00005 0.00857 -0.01209 0.02376 -0.02774 61 7D-2 0.00852 0.00977 -0.03226 -0.00084 0.01381 62 8D 0 0.00831 0.00097 0.00494 -0.00538 -0.00396 63 8D+1 -0.01684 0.00406 -0.00338 -0.00487 -0.00697 64 8D-1 -0.01370 0.00577 -0.00508 -0.00560 -0.00019 65 8D+2 0.00006 0.00322 -0.00293 0.00539 -0.00553 66 8D-2 0.00332 0.00163 -0.00735 -0.00091 0.00150 67 4 Cu 1S -0.00246 0.00023 0.00029 -0.00281 -0.00179 68 2S 0.00817 0.00866 -0.02120 -0.00506 -0.01131 69 3S -0.01625 0.01408 -0.09132 0.03098 -0.08452 70 4PX -0.00122 0.01573 0.00798 -0.01535 0.01096 71 4PY 0.00546 0.00485 -0.00295 0.00912 -0.00044 72 4PZ 0.00233 -0.00578 0.01175 0.00692 -0.00745 73 5PX -0.00067 0.00121 -0.03895 0.04331 -0.05341 74 5PY 0.00978 -0.00397 0.01228 -0.02834 0.01658 75 5PZ -0.00051 0.01091 -0.02266 -0.00877 0.03204 76 6PX -0.01439 0.01893 0.01284 0.00763 0.01592 77 6PY -0.01999 0.00651 0.00803 0.02883 0.01768 78 6PZ -0.00397 -0.02621 -0.01675 0.00491 -0.05479 79 7D 0 -0.00002 0.11449 -0.00697 0.02983 -0.01103 80 7D+1 -0.04250 0.09307 0.03149 0.01274 -0.01327 81 7D-1 0.01276 0.08663 -0.02314 -0.02303 0.00687 82 7D+2 -0.03745 -0.03436 -0.00373 -0.00357 0.02267 83 7D-2 0.06546 -0.06597 0.00382 0.03370 -0.00243 84 8D 0 0.00032 0.03834 -0.00245 0.00489 0.00034 85 8D+1 -0.01422 0.03130 0.00624 0.00016 0.00016 86 8D-1 0.00454 0.02837 -0.00702 -0.00611 0.00126 87 8D+2 -0.01211 -0.01177 0.00011 -0.00162 0.00408 88 8D-2 0.02261 -0.02212 0.00073 0.00854 -0.00038 89 5 Cu 1S 0.00095 -0.00304 0.00438 0.00035 -0.00055 90 2S 0.02535 0.01168 0.05821 0.01293 -0.03504 91 3S 0.03967 -0.03074 0.17330 -0.02259 -0.18715 92 4PX 0.01944 -0.00352 -0.00312 -0.01504 0.00909 93 4PY 0.01503 -0.00881 -0.01923 0.00794 0.01532 94 4PZ -0.00796 0.00615 -0.00238 -0.00501 -0.02336 95 5PX -0.00464 0.00187 0.00601 0.04816 -0.03404 96 5PY 0.00965 -0.00228 0.07203 -0.02472 -0.05401 97 5PZ -0.01268 0.01996 -0.01698 0.02816 0.10823 98 6PX 0.02497 -0.00657 0.00399 -0.04526 0.01650 99 6PY -0.00040 -0.03302 -0.03431 -0.00176 -0.04889 100 6PZ -0.00587 -0.01428 -0.04360 -0.00542 -0.01415 101 7D 0 0.00883 -0.03395 0.03873 -0.00268 0.01695 102 7D+1 -0.00215 0.01733 0.00156 0.02694 -0.01497 103 7D-1 0.00485 0.09207 0.01694 -0.01717 -0.03085 104 7D+2 -0.07963 -0.01442 0.02914 -0.00907 -0.00180 105 7D-2 -0.02886 -0.03456 -0.01736 -0.03015 0.01168 106 8D 0 0.00354 -0.01266 0.00739 -0.00183 0.00092 107 8D+1 -0.00039 0.00561 0.00168 0.00439 -0.00358 108 8D-1 0.00113 0.03134 0.00495 -0.00474 -0.00877 109 8D+2 -0.02660 -0.00483 0.00437 0.00094 -0.00325 110 8D-2 -0.01003 -0.01144 -0.00344 -0.00266 0.00307 111 6 Cu 1S -0.00109 0.00036 -0.00094 0.00121 -0.00078 112 2S 0.01284 0.00646 -0.04287 0.01761 0.00970 113 3S 0.02648 0.00587 -0.13896 0.00252 0.06178 114 4PX 0.00391 -0.00804 0.00379 -0.00009 -0.00133 115 4PY -0.00478 -0.00450 0.01598 -0.00324 -0.00715 116 4PZ -0.00189 0.01809 0.00315 -0.00336 0.00423 117 5PX -0.00121 -0.00899 -0.02043 0.01671 -0.01487 118 5PY 0.03832 0.00737 -0.11691 -0.00611 0.03123 119 5PZ 0.00021 0.02550 0.00672 0.02919 0.02842 120 6PX -0.02451 0.02217 0.00145 0.02533 0.01343 121 6PY -0.00289 0.00950 0.01138 -0.01003 -0.01030 122 6PZ -0.00496 -0.03733 -0.02342 -0.00482 -0.03115 123 7D 0 -0.00712 -0.00320 -0.01383 -0.00625 0.02260 124 7D+1 -0.01913 0.01862 -0.00207 -0.01698 0.00316 125 7D-1 0.01622 -0.02385 0.01769 0.00203 0.03825 126 7D+2 -0.04483 0.01187 0.00396 -0.00041 0.01555 127 7D-2 0.01095 -0.01001 0.00463 0.00821 0.00306 128 8D 0 -0.00249 -0.00078 -0.00317 -0.00161 0.00472 129 8D+1 -0.00690 0.00703 -0.00091 -0.00497 -0.00011 130 8D-1 0.00475 -0.00869 0.00387 0.00143 0.00710 131 8D+2 -0.01507 0.00371 0.00299 -0.00045 0.00304 132 8D-2 0.00199 -0.00328 0.00016 0.00159 0.00019 133 7 Cu 1S -0.00116 -0.00013 0.00169 -0.00252 -0.00338 134 2S -0.00610 -0.01030 0.00849 -0.01507 -0.02603 135 3S -0.00615 -0.00422 0.00744 -0.03374 -0.04227 136 4PX -0.00925 -0.00394 0.00125 -0.00117 0.00002 137 4PY 0.00445 -0.00502 0.00186 -0.00118 -0.00106 138 4PZ -0.00558 0.01150 -0.00089 -0.00143 -0.00314 139 5PX 0.00139 0.00174 -0.00579 0.00466 -0.01010 140 5PY 0.00143 0.00194 0.00465 -0.00786 -0.00608 141 5PZ 0.00068 0.00169 0.00310 -0.00045 0.01397 142 6PX -0.00834 -0.00731 0.00614 -0.01373 -0.00628 143 6PY 0.00657 -0.00621 -0.01551 -0.00444 -0.00023 144 6PZ -0.00619 0.01968 0.02136 0.01280 0.00181 145 7D 0 0.02803 -0.03479 -0.00136 0.00651 0.00628 146 7D+1 -0.02978 -0.01045 0.00495 -0.00342 -0.00018 147 7D-1 0.00965 0.08036 0.00682 -0.00108 -0.00668 148 7D+2 -0.04260 0.03349 -0.00241 0.00593 -0.00163 149 7D-2 0.05571 -0.02160 0.00386 -0.00678 -0.00589 150 8D 0 0.00907 -0.01168 0.00014 0.00263 0.00290 151 8D+1 -0.00968 -0.00341 0.00194 -0.00095 -0.00046 152 8D-1 0.00329 0.02657 0.00309 -0.00092 -0.00262 153 8D+2 -0.01427 0.01123 -0.00119 0.00256 -0.00054 154 8D-2 0.01842 -0.00702 0.00289 -0.00293 -0.00365 155 8 Cu 1S -0.00088 -0.00169 0.00056 -0.00365 0.00091 156 2S 0.02442 0.00355 -0.02119 -0.04161 0.01809 157 3S -0.00008 -0.03927 -0.17453 -0.08426 -0.05279 158 4PX -0.00701 0.00984 0.01484 0.00121 0.00354 159 4PY 0.01204 -0.01204 0.00830 0.00556 -0.00239 160 4PZ -0.01499 0.01131 -0.00520 0.01261 0.00229 161 5PX 0.00142 -0.00196 -0.06770 -0.01659 -0.02616 162 5PY 0.01190 -0.00929 -0.03612 -0.04237 0.00252 163 5PZ -0.01179 0.01480 0.02837 -0.01119 0.02542 164 6PX 0.00807 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184 5PY 0.00248 -0.00028 -0.00536 -0.00191 0.00576 185 5PZ 0.00202 0.00385 -0.00034 -0.00601 0.00807 186 10 O 1S 0.00537 0.00072 0.00067 -0.00031 0.00051 187 2S -0.00910 -0.00110 -0.00187 0.00063 -0.00127 188 3S -0.01694 -0.00274 -0.00220 0.00268 -0.00423 189 4PX 0.02032 -0.00290 0.01526 -0.00659 -0.00144 190 4PY 0.04713 0.00252 0.00172 -0.00145 -0.00440 191 4PZ 0.02099 -0.03085 0.00294 -0.00686 -0.00731 192 5PX 0.00950 -0.00092 0.00415 -0.00563 -0.00033 193 5PY 0.01342 -0.00035 0.00108 0.00130 -0.00249 194 5PZ 0.00884 -0.01497 0.00140 -0.00150 -0.00689 16 17 18 19 20 16 7D+2 1.49728 17 7D-2 -0.00632 1.49981 18 8D 0 -0.00233 -0.00266 0.15877 19 8D+1 0.00312 0.00076 -0.00070 0.16002 20 8D-1 -0.00009 0.00025 0.00056 0.00060 0.16084 21 8D+2 0.48632 -0.00276 -0.00133 0.00091 0.00016 22 8D-2 -0.00226 0.49039 -0.00109 0.00049 0.00026 23 2 Cu 1S 0.00345 -0.00137 0.00029 -0.00142 -0.00087 24 2S 0.04310 -0.01712 -0.00047 -0.01786 -0.00238 25 3S 0.08334 -0.10656 0.01716 -0.07521 0.01315 26 4PX -0.00801 -0.00341 0.00432 -0.00001 0.00249 27 4PY -0.00826 -0.00258 -0.00309 0.00275 0.00316 28 4PZ -0.00439 0.01602 0.00363 0.00166 -0.00165 29 5PX 0.02506 0.03212 -0.01767 0.01786 -0.01287 30 5PY 0.01502 0.00270 0.00819 -0.02166 -0.00207 31 5PZ 0.03390 -0.06571 0.00353 -0.02157 0.01962 32 6PX -0.04333 0.01563 0.00876 0.00372 0.00872 33 6PY 0.00060 -0.03894 0.00355 0.00837 0.01756 34 6PZ -0.02850 0.00595 0.00394 -0.01165 -0.00498 35 7D 0 -0.00725 0.03472 0.00456 0.00215 -0.00163 36 7D+1 -0.02239 -0.00941 -0.00236 -0.00360 0.00730 37 7D-1 -0.03029 -0.00450 -0.00476 0.00596 0.00090 38 7D+2 0.01540 0.00034 -0.00537 -0.00364 -0.00426 39 7D-2 0.00396 0.00235 0.00829 -0.00215 -0.00104 40 8D 0 -0.00011 0.00563 -0.00093 0.00105 -0.00006 41 8D+1 -0.00438 -0.00219 -0.00177 -0.00097 0.00103 42 8D-1 -0.00631 0.00040 -0.00212 0.00087 -0.00047 43 8D+2 0.00256 -0.00249 -0.00172 -0.00050 0.00038 44 8D-2 0.00354 0.00027 0.00141 -0.00048 0.00033 45 3 Cu 1S -0.00096 -0.00039 0.00106 0.00006 -0.00090 46 2S -0.00558 0.02259 0.01725 0.01358 -0.00350 47 3S 0.04664 0.06792 0.07500 0.08346 0.05244 48 4PX 0.00149 -0.00458 -0.00469 0.00058 -0.00194 49 4PY -0.00171 -0.00300 -0.00321 -0.00230 0.00301 50 4PZ -0.00439 -0.01033 0.00022 -0.00468 -0.00352 51 5PX 0.02839 0.02367 0.01634 0.01813 0.00321 52 5PY -0.02717 0.01145 0.01301 0.00702 0.00048 53 5PZ 0.02092 0.01938 0.02492 0.03231 0.02774 54 6PX -0.03815 -0.01204 -0.00460 0.00048 -0.00270 55 6PY 0.01944 0.03627 -0.00968 -0.00975 -0.00721 56 6PZ 0.02840 -0.02141 0.01097 0.00559 0.00614 57 7D 0 -0.01252 -0.03664 0.00266 -0.00747 -0.00491 58 7D+1 0.02319 -0.00338 -0.00527 -0.00438 -0.00570 59 7D-1 -0.02484 0.00880 -0.00597 -0.00480 0.00222 60 7D+2 -0.00211 -0.00640 -0.00413 0.00484 -0.00517 61 7D-2 -0.00799 -0.00227 -0.00645 -0.00013 0.00314 62 8D 0 -0.00314 -0.00954 -0.00030 -0.00090 -0.00015 63 8D+1 0.00650 -0.00033 -0.00044 -0.00135 -0.00093 64 8D-1 -0.00767 0.00092 -0.00157 -0.00065 -0.00046 65 8D+2 -0.00277 -0.00144 -0.00103 0.00077 -0.00050 66 8D-2 -0.00397 -0.00263 -0.00101 -0.00025 -0.00001 67 4 Cu 1S -0.00283 -0.00422 -0.00008 -0.00067 -0.00071 68 2S -0.02951 -0.04550 -0.00811 -0.00147 -0.00323 69 3S -0.01196 -0.24392 -0.03096 0.01070 -0.02863 70 4PX -0.00383 0.01837 0.00030 -0.00156 0.00249 71 4PY 0.01716 -0.00191 -0.00020 0.00208 0.00032 72 4PZ -0.00757 0.01110 0.00301 0.00398 -0.00344 73 5PX 0.01686 -0.08605 -0.01306 0.01422 -0.01765 74 5PY -0.05519 0.04626 0.00431 -0.00952 0.00567 75 5PZ 0.01897 -0.05229 -0.00696 -0.00248 0.01087 76 6PX 0.02514 -0.01979 0.00399 0.00209 0.00556 77 6PY 0.04764 0.03138 0.00194 0.00999 0.00627 78 6PZ 0.01296 0.02704 -0.00522 0.00218 -0.01844 79 7D 0 0.00137 0.00272 -0.00272 0.00322 -0.00124 80 7D+1 -0.00415 0.02479 0.00387 0.00133 -0.00169 81 7D-1 0.02847 -0.00098 -0.00558 -0.00596 0.00227 82 7D+2 0.02736 0.03290 -0.00051 0.00073 0.00388 83 7D-2 0.03076 0.00059 0.00119 0.00672 -0.00135 84 8D 0 0.00229 0.00039 -0.00090 -0.00061 0.00089 85 8D+1 -0.00182 0.00471 -0.00010 -0.00088 0.00095 86 8D-1 0.00629 0.00002 -0.00163 -0.00148 0.00042 87 8D+2 0.00336 0.00921 0.00031 0.00007 0.00013 88 8D-2 0.00482 0.00040 0.00027 0.00132 -0.00031 89 5 Cu 1S 0.00192 -0.00365 0.00171 -0.00002 -0.00078 90 2S 0.00231 -0.01861 0.02062 0.00555 -0.00999 91 3S -0.05391 -0.04400 0.06036 -0.00696 -0.06280 92 4PX 0.00579 0.00848 -0.00062 -0.00592 0.00121 93 4PY 0.00100 -0.00536 -0.00527 0.00115 -0.00006 94 4PZ -0.01325 0.00641 -0.00241 -0.00068 -0.00330 95 5PX 0.00372 -0.01479 0.00164 0.01578 -0.01107 96 5PY -0.02054 0.00140 0.02368 -0.00808 -0.01765 97 5PZ 0.04122 -0.00949 -0.00635 0.00929 0.03603 98 6PX -0.03430 0.01712 0.00193 -0.01536 0.00594 99 6PY -0.00350 0.01045 -0.01130 0.00018 -0.01634 100 6PZ 0.00303 0.03345 -0.01504 -0.00165 -0.00469 101 7D 0 0.03533 -0.01691 0.00692 -0.00147 0.00359 102 7D+1 -0.02075 -0.03296 0.00030 0.00571 -0.00281 103 7D-1 0.00431 0.01459 0.00573 -0.00439 -0.00739 104 7D+2 -0.00434 0.00708 0.00457 0.00070 -0.00107 105 7D-2 0.00655 0.01206 -0.00301 -0.00413 0.00248 106 8D 0 0.00814 -0.00264 0.00052 -0.00078 -0.00035 107 8D+1 -0.00624 -0.00641 0.00048 0.00042 -0.00046 108 8D-1 0.00223 0.00529 0.00166 -0.00115 -0.00196 109 8D+2 -0.00268 0.00049 -0.00022 0.00154 -0.00122 110 8D-2 0.00210 0.00159 -0.00025 0.00107 0.00057 111 6 Cu 1S 0.00126 -0.00187 0.00014 0.00025 -0.00047 112 2S -0.03844 -0.01850 -0.01352 0.00632 0.00285 113 3S -0.23910 -0.02064 -0.04619 0.00112 0.02075 114 4PX 0.00142 0.00557 0.00123 -0.00002 -0.00050 115 4PY 0.02105 0.00268 0.00479 -0.00149 -0.00208 116 4PZ 0.00601 0.00066 0.00110 -0.00150 0.00290 117 5PX 0.03418 0.00156 -0.00789 0.00579 -0.00506 118 5PY -0.18780 -0.04699 -0.03840 -0.00161 0.01053 119 5PZ -0.01978 -0.02556 0.00275 0.01037 0.01078 120 6PX 0.01993 -0.00720 -0.00079 0.00856 0.00423 121 6PY 0.00223 -0.02502 0.00329 -0.00345 -0.00352 122 6PZ 0.01172 0.01375 -0.00788 -0.00092 -0.01065 123 7D 0 -0.00360 0.00901 -0.00438 -0.00194 0.00534 124 7D+1 0.00498 0.00978 -0.00148 -0.00577 0.00040 125 7D-1 0.01298 0.00033 0.00369 0.00086 0.00803 126 7D+2 -0.02664 0.01638 0.00148 -0.00029 0.00330 127 7D-2 0.00223 0.05455 0.00026 0.00221 0.00099 128 8D 0 0.00008 0.00315 -0.00095 -0.00051 0.00089 129 8D+1 0.00147 0.00126 -0.00056 -0.00166 -0.00022 130 8D-1 0.00179 -0.00127 0.00055 0.00053 0.00082 131 8D+2 -0.00491 0.00416 0.00105 -0.00020 0.00039 132 8D-2 0.00072 0.00933 -0.00036 0.00036 0.00006 133 7 Cu 1S 0.00082 -0.00575 0.00056 -0.00080 -0.00110 134 2S 0.00706 -0.04705 0.00407 -0.00677 -0.01067 135 3S -0.01118 -0.08598 0.00397 -0.01304 -0.01597 136 4PX -0.00072 -0.00261 0.00037 -0.00016 0.00052 137 4PY 0.00133 -0.00172 0.00060 0.00023 0.00004 138 4PZ -0.00004 0.00015 -0.00101 -0.00075 -0.00141 139 5PX 0.00278 -0.00454 -0.00181 0.00157 -0.00383 140 5PY -0.00323 -0.00397 0.00226 -0.00329 -0.00254 141 5PZ 0.00372 -0.01164 0.00096 -0.00059 0.00471 142 6PX 0.01619 0.00529 0.00177 -0.00429 -0.00178 143 6PY -0.02020 -0.01342 -0.00484 -0.00124 0.00005 144 6PZ -0.00612 -0.00610 0.00658 0.00400 0.00069 145 7D 0 0.00098 0.00274 -0.00079 0.00276 0.00430 146 7D+1 0.00319 -0.00730 0.00261 -0.00119 -0.00033 147 7D-1 -0.00138 -0.00527 0.00333 -0.00171 -0.00187 148 7D+2 0.00506 0.00282 -0.00153 0.00360 -0.00091 149 7D-2 0.00520 -0.00817 0.00296 -0.00283 -0.00485 150 8D 0 0.00075 0.00181 -0.00007 0.00111 0.00174 151 8D+1 0.00141 -0.00388 0.00097 -0.00035 -0.00025 152 8D-1 0.00051 -0.00295 0.00138 -0.00081 -0.00079 153 8D+2 0.00253 0.00128 -0.00069 0.00143 -0.00029 154 8D-2 0.00408 -0.00385 0.00156 -0.00119 -0.00222 155 8 Cu 1S 0.00144 -0.00144 0.00007 -0.00126 0.00015 156 2S 0.04348 0.02842 -0.00680 -0.01378 0.00696 157 3S 0.20457 0.24076 -0.06073 -0.02892 -0.01717 158 4PX -0.01032 -0.02599 0.00237 0.00068 0.00037 159 4PY -0.01431 -0.00871 0.00123 0.00164 -0.00167 160 4PZ -0.00032 0.00228 -0.00211 0.00520 0.00121 161 5PX 0.09258 0.10036 -0.02302 -0.00548 -0.00824 162 5PY 0.01890 0.03818 -0.01241 -0.01462 0.00096 163 5PZ 0.00573 -0.02686 0.00983 -0.00300 0.00915 164 6PX 0.00579 -0.00360 -0.00828 -0.00497 -0.00812 165 6PY 0.00192 0.00230 0.01380 0.00826 0.00661 166 6PZ -0.04567 -0.01935 0.00140 0.00146 0.01344 167 7D 0 0.00267 0.00800 -0.00891 -0.00428 -0.00077 168 7D+1 0.00171 0.01388 -0.00452 0.00731 0.00734 169 7D-1 0.00572 0.00613 -0.00034 0.00487 -0.00212 170 7D+2 0.02261 -0.04920 0.00169 0.00028 0.00178 171 7D-2 -0.04465 -0.01265 -0.00055 0.00184 0.00064 172 8D 0 -0.00108 0.00150 -0.00260 -0.00094 -0.00012 173 8D+1 -0.00045 0.00230 -0.00046 0.00043 0.00185 174 8D-1 0.00169 0.00104 0.00053 0.00030 -0.00092 175 8D+2 0.00435 -0.00973 0.00012 0.00013 -0.00006 176 8D-2 -0.01169 -0.00638 -0.00085 -0.00023 0.00043 177 9 C 1S -0.00079 -0.00536 -0.00143 0.00064 -0.00010 178 2S 0.00786 0.01180 0.00358 -0.00105 -0.00013 179 3S -0.05736 0.02111 -0.00252 -0.00727 0.00573 180 4PX -0.01272 -0.00059 -0.00633 0.00308 0.00079 181 4PY 0.00092 0.01131 0.00084 -0.00030 0.00104 182 4PZ -0.00599 -0.00458 -0.00083 0.00257 0.00441 183 5PX 0.01680 0.01355 0.00456 0.00183 -0.00093 184 5PY -0.01801 0.00507 -0.00165 -0.00057 0.00176 185 5PZ 0.01237 0.00474 0.00003 -0.00206 0.00304 186 10 O 1S 0.00006 0.00146 0.00015 0.00004 0.00030 187 2S -0.00044 -0.00380 -0.00042 -0.00007 -0.00065 188 3S 0.00349 -0.00904 -0.00054 0.00052 -0.00151 189 4PX 0.00857 0.00192 0.00527 -0.00257 -0.00053 190 4PY 0.00271 -0.00877 0.00071 -0.00004 -0.00154 191 4PZ 0.00519 0.00424 0.00049 -0.00275 -0.00291 192 5PX -0.00031 -0.00440 0.00144 -0.00203 -0.00014 193 5PY 0.00581 -0.00451 0.00036 0.00054 -0.00077 194 5PZ -0.00127 0.00066 0.00017 -0.00070 -0.00270 21 22 23 24 25 21 8D+2 0.15814 22 8D-2 -0.00096 0.16059 23 2 Cu 1S 0.00126 -0.00067 2.01145 24 2S 0.01572 -0.00308 0.01755 0.38642 25 3S 0.02934 -0.03448 0.01037 0.23192 0.39904 26 4PX -0.00324 -0.00014 0.00538 0.03741 -0.06983 27 4PY -0.00348 -0.00262 0.00101 0.00325 -0.01299 28 4PZ -0.00147 0.00313 -0.00354 -0.02307 0.04590 29 5PX 0.00800 0.01071 -0.00371 -0.05087 -0.10403 30 5PY 0.00451 0.00092 -0.00051 0.00059 -0.00217 31 5PZ 0.01163 -0.02123 0.00237 0.02938 0.06138 32 6PX -0.01446 0.00595 -0.00149 0.01430 -0.02236 33 6PY 0.00045 -0.01311 0.00045 -0.01942 -0.01396 34 6PZ -0.00895 0.00260 0.00068 -0.00040 0.01872 35 7D 0 -0.00225 0.00570 -0.00038 0.00037 0.02006 36 7D+1 -0.00419 -0.00345 0.00115 0.02265 0.16023 37 7D-1 -0.00696 0.00009 -0.00029 -0.00021 0.01718 38 7D+2 0.00238 -0.00072 -0.00160 -0.02159 -0.12516 39 7D-2 0.00288 0.00067 -0.00071 -0.00522 -0.02231 40 8D 0 0.00002 -0.00006 -0.00018 -0.00087 0.00601 41 8D+1 -0.00041 -0.00089 0.00030 0.00169 0.05005 42 8D-1 -0.00109 0.00065 -0.00019 0.00036 0.00575 43 8D+2 -0.00003 -0.00105 -0.00057 -0.00177 -0.03889 44 8D-2 0.00170 0.00009 -0.00023 -0.00215 -0.00769 45 3 Cu 1S -0.00033 -0.00028 -0.00226 -0.00574 -0.01001 46 2S -0.00229 0.00807 -0.00663 0.14441 0.08087 47 3S 0.01377 0.02247 -0.00556 -0.09654 -0.17937 48 4PX 0.00151 -0.00098 -0.00402 -0.04919 -0.02882 49 4PY -0.00056 -0.00021 0.00031 0.00746 0.00867 50 4PZ -0.00111 -0.00291 -0.00115 -0.00269 -0.01086 51 5PX 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0.01494 71 4PY 0.00500 0.00056 -0.00148 -0.00432 -0.00169 72 4PZ -0.00110 0.00242 -0.00066 0.00586 -0.00800 73 5PX 0.00576 -0.02812 0.00030 0.02973 0.01255 74 5PY -0.01809 0.01603 -0.00017 -0.00404 -0.01557 75 5PZ 0.00613 -0.01725 -0.00011 -0.01560 -0.00094 76 6PX 0.00802 -0.00650 0.00083 0.01820 0.03071 77 6PY 0.01551 0.01060 0.00035 -0.02644 -0.02595 78 6PZ 0.00369 0.00909 -0.00062 0.00039 -0.00705 79 7D 0 0.00161 0.00031 0.00233 0.01275 0.09225 80 7D+1 0.00013 0.00437 0.00306 0.00239 0.17646 81 7D-1 0.00554 -0.00076 -0.00076 -0.02268 0.02643 82 7D+2 0.00518 0.00573 -0.00230 -0.01640 -0.09017 83 7D-2 0.00386 -0.00084 0.00358 0.03747 0.08343 84 8D 0 0.00116 -0.00007 0.00066 0.00567 0.03201 85 8D+1 -0.00010 0.00030 0.00092 0.00096 0.05912 86 8D-1 0.00080 -0.00012 -0.00023 -0.00753 0.00859 87 8D+2 -0.00013 0.00133 -0.00072 -0.00474 -0.02980 88 8D-2 -0.00048 -0.00018 0.00100 0.01473 0.02995 89 5 Cu 1S 0.00045 -0.00102 0.00100 -0.00055 0.00033 90 2S 0.00169 -0.00470 -0.00055 -0.04320 0.02994 91 3S -0.01791 -0.01387 0.00043 0.03178 0.04569 92 4PX 0.00103 0.00350 0.00121 -0.01094 0.01481 93 4PY -0.00254 -0.00016 0.00030 -0.00188 -0.00683 94 4PZ -0.00291 0.00065 -0.00251 0.00194 -0.02166 95 5PX 0.00187 -0.00430 0.00037 0.03086 0.00507 96 5PY -0.00714 0.00050 -0.00011 0.00580 0.00571 97 5PZ 0.01337 -0.00342 -0.00056 -0.02058 -0.01949 98 6PX -0.01088 0.00643 0.00127 0.00033 0.01964 99 6PY -0.00131 0.00331 -0.00039 0.00716 -0.00103 100 6PZ 0.00075 0.01156 -0.00069 -0.02362 -0.02494 101 7D 0 0.00859 -0.00223 -0.00366 -0.03436 -0.06287 102 7D+1 -0.00393 -0.00583 0.00434 0.03330 0.15925 103 7D-1 0.00307 0.00272 0.00187 0.01456 0.04340 104 7D+2 -0.00269 -0.00077 -0.00283 0.00686 -0.15349 105 7D-2 0.00036 0.00229 -0.00002 -0.00973 0.01188 106 8D 0 0.00168 0.00032 -0.00114 -0.01344 -0.02147 107 8D+1 -0.00110 -0.00041 0.00130 0.01097 0.05391 108 8D-1 0.00130 0.00104 0.00060 0.00577 0.01444 109 8D+2 -0.00129 -0.00087 -0.00096 0.00223 -0.05130 110 8D-2 0.00010 -0.00002 0.00000 -0.00314 0.00366 111 6 Cu 1S 0.00097 -0.00060 -0.00201 -0.00406 -0.00975 112 2S -0.01070 -0.00588 -0.00506 0.12233 0.10066 113 3S -0.07919 -0.00622 -0.00754 -0.03997 -0.11949 114 4PX -0.00017 0.00297 -0.00224 -0.02417 -0.01898 115 4PY 0.00513 0.00116 -0.00286 -0.04013 -0.01744 116 4PZ 0.00178 0.00014 0.00246 0.03046 0.01804 117 5PX 0.01076 0.00093 -0.00058 0.05695 -0.00395 118 5PY -0.06104 -0.01413 -0.00223 0.09456 0.00653 119 5PZ -0.00682 -0.00887 0.00125 -0.07187 -0.00069 120 6PX 0.00612 -0.00391 -0.00047 -0.03680 -0.04368 121 6PY 0.00024 -0.00900 0.00036 -0.01417 -0.00705 122 6PZ 0.00320 0.00372 0.00012 0.02693 0.02785 123 7D 0 -0.00015 0.00288 0.00083 -0.00686 -0.00962 124 7D+1 0.00063 0.00136 -0.00098 -0.03123 -0.13360 125 7D-1 0.00236 -0.00022 0.00130 -0.02129 -0.07956 126 7D+2 -0.00766 0.00309 0.00267 0.00580 0.04716 127 7D-2 -0.00042 0.01135 0.00061 0.01296 0.08008 128 8D 0 0.00035 0.00101 0.00036 -0.00332 -0.00438 129 8D+1 0.00018 -0.00021 -0.00062 -0.01154 -0.04509 130 8D-1 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189 4PX 0.00211 -0.00012 -0.00079 -0.05299 -0.05521 190 4PY 0.00182 -0.00308 0.00125 -0.00266 0.05086 191 4PZ 0.00161 0.00135 -0.00006 0.03184 0.01122 192 5PX -0.00038 -0.00205 0.00065 -0.03157 -0.01955 193 5PY 0.00202 -0.00150 -0.00029 -0.00783 0.00793 194 5PZ -0.00052 0.00017 -0.00026 0.02156 0.00812 26 27 28 29 30 26 4PX 1.99239 27 4PY -0.00008 1.99100 28 4PZ -0.00049 0.00025 1.99168 29 5PX 0.04594 0.00316 -0.00667 0.04466 30 5PY 0.00193 0.03746 -0.00143 -0.00026 0.02346 31 5PZ -0.00615 -0.00214 0.04117 -0.01260 -0.00011 32 6PX 0.00007 0.00340 -0.00815 0.00601 -0.00050 33 6PY 0.00064 -0.01243 -0.00003 -0.00114 -0.00061 34 6PZ -0.00702 -0.00161 -0.00682 -0.00318 0.00043 35 7D 0 0.00056 -0.00105 0.00066 -0.04289 -0.00357 36 7D+1 0.00202 -0.00129 0.00134 -0.04084 0.00086 37 7D-1 -0.00075 -0.00335 -0.00141 -0.00569 -0.05983 38 7D+2 0.00041 -0.00066 0.00244 0.07178 -0.01512 39 7D-2 -0.00061 0.00011 -0.00090 0.00309 0.08057 40 8D 0 0.00098 -0.00041 0.00114 -0.01369 -0.00125 41 8D+1 0.00173 -0.00033 -0.00058 -0.01230 0.00027 42 8D-1 -0.00010 -0.00100 -0.00102 -0.00187 -0.01974 43 8D+2 -0.00062 -0.00049 0.00119 0.02277 -0.00507 44 8D-2 -0.00061 -0.00110 -0.00037 0.00102 0.02618 45 3 Cu 1S 0.00136 0.00033 -0.00080 0.00326 -0.00086 46 2S 0.02209 0.00052 -0.00310 -0.04131 0.00162 47 3S 0.06766 0.00668 0.01574 0.04434 -0.01230 48 4PX 0.00155 -0.00062 0.00280 0.00408 -0.00188 49 4PY 0.00056 0.00182 0.00002 -0.00322 -0.00796 50 4PZ -0.00162 0.00038 0.00004 0.00924 -0.00294 51 5PX 0.00707 0.00264 -0.00951 0.01729 -0.00286 52 5PY -0.00416 -0.01320 0.00164 0.00089 0.00896 53 5PZ 0.00714 -0.00041 0.00000 -0.00157 -0.00072 54 6PX 0.01914 -0.00007 0.01398 0.02329 0.00060 55 6PY -0.00533 -0.01225 -0.00611 -0.00002 0.00899 56 6PZ 0.00753 -0.00425 0.01154 0.00364 -0.00064 57 7D 0 -0.01565 0.00238 -0.00148 0.08374 -0.01611 58 7D+1 0.00642 -0.00099 -0.01642 -0.00589 -0.00465 59 7D-1 -0.00015 0.00091 0.00134 -0.00452 -0.02913 60 7D+2 0.02856 -0.00535 0.00548 -0.11594 0.00776 61 7D-2 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-0.00009 -0.00343 -0.00244 -0.02145 0.00489 82 7D+2 0.00292 -0.00253 0.00141 0.00831 -0.00579 83 7D-2 -0.00375 0.00173 -0.00106 -0.00405 0.01103 84 8D 0 0.00024 0.00039 0.00020 -0.00644 0.00400 85 8D+1 0.00023 0.00079 0.00051 -0.01318 0.00663 86 8D-1 -0.00025 -0.00091 -0.00120 -0.00735 0.00150 87 8D+2 0.00102 -0.00044 0.00081 0.00285 -0.00194 88 8D-2 -0.00049 0.00041 -0.00062 -0.00198 0.00325 89 5 Cu 1S -0.00108 -0.00042 0.00258 -0.00015 -0.00028 90 2S -0.00569 -0.00016 -0.00966 0.00509 -0.00250 91 3S -0.00534 -0.01370 0.02305 -0.01174 0.00056 92 4PX -0.00029 -0.00006 0.00029 -0.00384 -0.00097 93 4PY -0.00033 0.00082 0.00048 0.00189 0.00172 94 4PZ 0.00061 -0.00002 -0.00111 0.00315 0.00289 95 5PX -0.00090 -0.00033 0.00234 0.00501 -0.00111 96 5PY 0.00123 0.00136 0.00002 -0.00208 0.00882 97 5PZ 0.00043 0.00452 -0.00810 0.00313 -0.00017 98 6PX 0.00263 -0.00238 0.00883 -0.00424 0.00028 99 6PY -0.00038 -0.01036 -0.00256 0.00143 -0.00138 100 6PZ -0.00075 0.00013 -0.01070 0.00954 0.00043 101 7D 0 0.00098 0.00000 -0.00277 0.00095 0.00072 102 7D+1 -0.00074 -0.00040 0.00386 -0.00504 -0.01029 103 7D-1 0.00025 -0.00399 0.00051 -0.00378 0.00117 104 7D+2 0.00011 -0.00014 -0.00031 0.02809 0.00587 105 7D-2 -0.00058 -0.00217 -0.00159 -0.00617 -0.00855 106 8D 0 -0.00015 -0.00021 -0.00064 0.00092 0.00024 107 8D+1 -0.00004 -0.00005 0.00074 -0.00187 -0.00340 108 8D-1 0.00021 -0.00231 0.00029 -0.00144 0.00031 109 8D+2 -0.00021 0.00028 -0.00031 0.00976 0.00180 110 8D-2 -0.00009 -0.00038 -0.00041 -0.00205 -0.00337 111 6 Cu 1S 0.00125 -0.00113 -0.00025 0.00242 0.00317 112 2S 0.01338 0.00708 -0.01062 -0.02100 -0.02398 113 3S 0.03803 0.05473 -0.04446 0.01884 0.03010 114 4PX 0.00088 0.00230 -0.00008 -0.00217 0.00109 115 4PY -0.00170 0.00182 0.00121 0.00256 0.00119 116 4PZ 0.00156 -0.00112 0.00191 -0.00550 -0.00511 117 5PX 0.00279 -0.00823 -0.00552 0.00911 0.01494 118 5PY 0.00459 -0.00380 -0.00627 -0.00142 0.01165 119 5PZ -0.01074 0.00114 -0.00676 0.00165 -0.00890 120 6PX 0.00015 -0.00307 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3S -0.01423 -0.00550 0.01051 -0.00002 -0.01978 180 4PX 0.00186 -0.00222 -0.00223 -0.00207 0.01085 181 4PY -0.00304 0.00187 -0.00047 0.01052 -0.01154 182 4PZ -0.00189 -0.00095 -0.00205 0.00259 0.00253 183 5PX 0.00034 0.00294 -0.00184 0.00215 0.00087 184 5PY -0.00092 0.00613 -0.00230 0.00177 0.00047 185 5PZ -0.00024 -0.00450 0.00124 0.00172 0.00192 186 10 O 1S -0.00016 0.00023 0.00000 -0.00179 -0.00122 187 2S 0.00001 -0.00141 0.00058 0.00316 0.00292 188 3S 0.00282 0.00362 -0.00312 0.00840 0.00436 189 4PX -0.00094 0.00352 0.00091 -0.00133 -0.00978 190 4PY 0.00156 -0.00088 0.00074 -0.01766 0.00268 191 4PZ 0.00171 -0.00040 0.00226 0.00288 0.00096 192 5PX -0.00080 -0.00146 0.00228 -0.00354 -0.00448 193 5PY 0.00224 -0.00116 0.00003 -0.00505 -0.00038 194 5PZ 0.00075 0.00217 0.00075 0.00025 0.00002 31 32 33 34 35 31 5PZ 0.03017 32 6PX -0.00342 0.02109 33 6PY 0.00079 -0.00110 0.03422 34 6PZ 0.00143 0.00362 -0.00251 0.02548 35 7D 0 -0.04956 -0.04665 0.01970 -0.04630 1.50484 36 7D+1 0.07643 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-0.02370 -0.02111 -0.00157 0.09969 136 4PX 0.00340 -0.01038 -0.00589 -0.00327 0.00353 137 4PY -0.00101 0.00188 -0.00495 0.00561 -0.00110 138 4PZ 0.00041 0.00176 0.00965 -0.00292 0.00142 139 5PX 0.00129 -0.00349 -0.00474 0.00257 0.01849 140 5PY -0.00017 -0.00523 -0.00685 0.00276 0.00032 141 5PZ 0.00553 -0.00520 -0.00143 -0.00008 -0.00036 142 6PX 0.00586 -0.00518 -0.00836 -0.01224 -0.00048 143 6PY 0.00324 0.00580 -0.00020 0.00821 -0.00149 144 6PZ -0.00048 0.00046 0.01644 0.00117 0.01456 145 7D 0 0.00120 0.01783 -0.00219 0.02738 -0.00300 146 7D+1 0.01042 -0.04301 -0.02077 -0.05962 0.00229 147 7D-1 -0.00836 -0.00839 0.05334 0.03074 0.00070 148 7D+2 -0.00341 -0.01334 0.05048 -0.02008 0.00956 149 7D-2 0.00503 0.00828 -0.03424 0.01593 0.00530 150 8D 0 0.00089 0.00615 -0.00049 0.00891 -0.00288 151 8D+1 0.00351 -0.01465 -0.00709 -0.01990 0.00117 152 8D-1 -0.00315 -0.00316 0.01744 0.01049 0.00030 153 8D+2 -0.00120 -0.00446 0.01700 -0.00683 0.00543 154 8D-2 0.00138 0.00232 -0.01174 0.00565 0.00223 155 8 Cu 1S -0.00111 0.00024 -0.00057 0.00008 0.00058 156 2S 0.00409 -0.03563 -0.00245 0.02173 -0.00078 157 3S -0.02756 -0.02987 -0.02262 0.02659 0.03772 158 4PX -0.00199 -0.00516 0.00048 -0.00046 0.00361 159 4PY 0.00033 0.00046 -0.00613 -0.00003 0.00037 160 4PZ -0.00643 -0.00041 -0.00004 -0.00528 0.00454 161 5PX 0.00390 -0.01237 -0.00900 0.00489 -0.00200 162 5PY 0.00025 -0.00002 -0.01146 0.00042 -0.00150 163 5PZ 0.01791 0.00117 0.00573 -0.01335 -0.01951 164 6PX -0.00210 0.00357 -0.00085 0.01218 -0.00544 165 6PY -0.00193 0.00019 0.01672 0.00291 0.03336 166 6PZ 0.00240 0.01174 0.00339 0.01574 -0.02673 167 7D 0 0.00368 0.01615 -0.00807 0.02243 0.00301 168 7D+1 -0.00628 -0.00807 -0.00976 0.00076 -0.00617 169 7D-1 0.00612 -0.00713 -0.00262 -0.00358 -0.00148 170 7D+2 -0.01493 0.00285 -0.00346 -0.00412 -0.00171 171 7D-2 -0.00054 0.00619 -0.02801 -0.00845 0.00082 172 8D 0 0.00108 0.00503 -0.00236 0.00693 0.00151 173 8D+1 -0.00170 -0.00225 -0.00301 0.00004 -0.00373 174 8D-1 0.00232 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0.01650 0.01512 0.02998 0.00446 0.01895 127 7D-2 0.02261 0.02942 -0.00170 -0.02614 -0.00282 128 8D 0 0.00263 0.00463 0.00130 -0.00187 0.00242 129 8D+1 0.00607 0.00081 -0.00198 0.00247 0.00476 130 8D-1 -0.01256 -0.00130 0.00213 -0.00378 0.00407 131 8D+2 0.00573 0.00320 0.00737 0.00166 0.00312 132 8D-2 0.00794 0.00673 -0.00147 -0.00542 0.00021 133 7 Cu 1S 0.00100 -0.00364 0.00081 0.00438 0.00099 134 2S -0.03105 -0.03764 0.01226 0.03293 -0.01635 135 3S -0.01533 -0.17213 0.00312 0.01742 -0.08824 136 4PX 0.00082 0.00493 0.00146 0.00712 0.02262 137 4PY -0.01010 0.01110 0.00836 0.01263 0.00453 138 4PZ 0.01395 -0.00738 0.00639 0.01061 -0.00755 139 5PX -0.00324 -0.02555 -0.02830 -0.01365 -0.07434 140 5PY -0.00524 -0.07352 -0.01696 -0.04106 -0.02724 141 5PZ 0.00756 0.01327 -0.01759 -0.03766 0.02227 142 6PX 0.00336 -0.03344 0.04379 0.00030 0.03929 143 6PY -0.00469 -0.01199 -0.01683 0.01657 -0.03309 144 6PZ -0.00656 -0.00233 0.02367 0.06084 0.00520 145 7D 0 -0.03745 -0.00715 -0.01032 -0.02660 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0.00682 0.00038 186 10 O 1S 0.00069 0.00066 -0.00032 0.00062 0.00127 187 2S -0.00093 -0.00164 0.00090 -0.00140 -0.00311 188 3S -0.00283 -0.00319 0.00270 -0.00550 -0.00953 189 4PX 0.00104 -0.00879 -0.00827 -0.00276 0.00626 190 4PY 0.00731 -0.00983 -0.00168 -0.00548 -0.00488 191 4PZ -0.03005 0.00192 0.01079 0.00154 0.00294 192 5PX 0.00152 -0.00217 -0.00360 -0.00143 0.00653 193 5PY 0.00169 -0.00158 -0.00196 -0.00644 -0.00105 194 5PZ -0.01480 0.00034 0.00741 -0.00175 0.00145 171 172 173 174 175 171 7D-2 1.48965 172 8D 0 -0.00192 0.15870 173 8D+1 -0.00195 -0.00054 0.16120 174 8D-1 -0.00238 0.00087 0.00022 0.16020 175 8D+2 -0.00019 -0.00057 -0.00034 0.00001 0.16085 176 8D-2 0.48414 -0.00117 -0.00087 -0.00055 0.00002 177 9 C 1S -0.00319 -0.00123 -0.00035 -0.00064 -0.00097 178 2S 0.01203 0.00307 0.00091 0.00079 0.00164 179 3S -0.03751 -0.00248 -0.00181 0.01192 0.01147 180 4PX 0.00278 0.00255 0.00251 0.00107 -0.00360 181 4PY 0.01303 0.00469 0.00203 0.00272 0.00073 182 4PZ -0.00954 -0.00019 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0.45684 0.00039 -0.00028 0.06128 192 5PX 0.10060 -0.01262 0.01686 0.00310 -0.00038 193 5PY -0.03285 0.02532 0.00335 0.01147 0.00093 194 5PZ 0.02532 0.16721 -0.00047 0.00105 0.01825 186 187 188 189 190 186 10 O 1S 2.11860 187 2S -0.25906 0.60431 188 3S -0.24866 0.52376 0.54195 189 4PX -0.01711 0.02966 0.14147 0.84303 190 4PY 0.03465 -0.06026 -0.28561 -0.00631 0.85251 191 4PZ -0.00431 0.00752 0.03541 0.00090 -0.00159 192 5PX -0.01512 0.03627 0.05101 0.29780 0.06727 193 5PY 0.03056 -0.07338 -0.10271 0.06785 0.19463 194 5PZ -0.00378 0.00910 0.01266 -0.00844 0.01706 191 192 193 194 191 4PZ 0.84016 192 5PX -0.00827 0.11506 193 5PY 0.01685 0.03712 0.05859 194 5PZ 0.32913 -0.00457 0.00927 0.13234 Full Mulliken population analysis: 1 2 3 4 5 1 1 Cu 1S 2.00808 2 2S -0.00291 0.30095 3 3S 0.00794 0.04018 0.67392 4 4PX 0.00000 0.00000 0.00000 1.99698 5 4PY 0.00000 0.00000 0.00000 0.00000 1.99608 6 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 7 5PX 0.00000 0.00000 0.00000 0.00399 0.00000 8 5PY 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0.00000 2.09473 178 2S 0.00000 -0.04999 0.51448 179 3S 0.00005 -0.03670 0.31505 0.43898 180 4PX 0.00000 0.00000 0.00000 0.00000 0.41845 181 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00000 0.00000 0.00000 0.00000 0.02673 184 5PY 0.00016 0.00000 0.00000 0.00000 0.00000 185 5PZ -0.00002 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 -0.00035 0.00251 -0.00101 187 2S 0.00000 -0.00027 0.00234 -0.03182 0.01294 188 3S 0.00000 0.00135 -0.03743 -0.06219 -0.00215 189 4PX 0.00000 -0.00104 0.01508 0.00017 0.01868 190 4PY 0.00000 -0.00427 0.06181 -0.00007 0.07681 191 4PZ 0.00000 -0.00007 0.00096 -0.00003 0.00120 192 5PX 0.00000 -0.00051 0.00494 0.00023 0.03374 193 5PY 0.00000 -0.00211 0.02023 -0.00006 0.02126 194 5PZ 0.00000 -0.00003 0.00031 -0.00004 0.00033 181 182 183 184 185 181 4PY 0.62471 182 4PZ 0.00000 0.35570 183 5PX 0.00000 0.00000 0.01815 184 5PY 0.00564 0.00000 0.00000 0.02360 185 5PZ 0.00000 0.03344 0.00000 0.00000 0.01683 186 10 O 1S -0.00411 -0.00006 0.00010 0.00040 0.00001 187 2S 0.05298 0.00082 -0.00011 -0.00049 -0.00001 188 3S -0.00884 -0.00014 0.00244 0.00982 0.00015 189 4PX 0.07679 0.00119 0.00926 -0.00024 0.00000 190 4PY 0.07868 0.00488 -0.00021 0.00268 -0.00001 191 4PZ 0.00489 0.07131 0.00000 0.00000 0.01102 192 5PX 0.02130 0.00033 0.00892 0.00055 0.00001 193 5PY 0.00145 0.00135 0.00059 0.00298 0.00004 194 5PZ 0.00135 0.06311 0.00001 0.00005 0.01115 186 187 188 189 190 186 10 O 1S 2.11860 187 2S -0.07072 0.60431 188 3S -0.04556 0.41413 0.54195 189 4PX 0.00000 0.00000 0.00000 0.84303 190 4PY 0.00000 0.00000 0.00000 0.00000 0.85251 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.15069 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.09848 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 191 4PZ 0.84016 192 5PX 0.00000 0.11506 193 5PY 0.00000 0.00000 0.05859 194 5PZ 0.16654 0.00000 0.00000 0.13234 Gross orbital populations: 1 1 1 Cu 1S 2.00381 2 2S 0.61604 3 3S -0.16010 4 4PX 1.99484 5 4PY 1.99460 6 4PZ 1.99499 7 5PX 0.18654 8 5PY 0.14120 9 5PZ 0.19873 10 6PX 0.02120 11 6PY -0.00534 12 6PZ 0.02080 13 7D 0 1.63577 14 7D+1 1.64118 15 7D-1 1.65226 16 7D+2 1.64580 17 7D-2 1.64905 18 8D 0 0.31997 19 8D+1 0.31944 20 8D-1 0.31639 21 8D+2 0.31517 22 8D-2 0.31783 23 2 Cu 1S 2.00550 24 2S 0.71730 25 3S 0.40302 26 4PX 1.99434 27 4PY 1.99462 28 4PZ 1.99458 29 5PX 0.07143 30 5PY 0.05211 31 5PZ 0.06117 32 6PX 0.03498 33 6PY -0.02081 34 6PZ 0.00949 35 7D 0 1.65570 36 7D+1 1.64322 37 7D-1 1.64546 38 7D+2 1.64827 39 7D-2 1.65051 40 8D 0 0.32300 41 8D+1 0.32592 42 8D-1 0.32366 43 8D+2 0.32495 44 8D-2 0.32297 45 3 Cu 1S 2.00381 46 2S 0.61588 47 3S -0.16044 48 4PX 1.99510 49 4PY 1.99516 50 4PZ 1.99417 51 5PX 0.21224 52 5PY 0.22348 53 5PZ 0.09061 54 6PX 0.01873 55 6PY 0.01358 56 6PZ 0.00414 57 7D 0 1.64857 58 7D+1 1.64563 59 7D-1 1.65456 60 7D+2 1.64077 61 7D-2 1.63452 62 8D 0 0.31786 63 8D+1 0.31729 64 8D-1 0.31419 65 8D+2 0.31923 66 8D-2 0.32018 67 4 Cu 1S 2.00554 68 2S 0.75580 69 3S 0.33815 70 4PX 1.99471 71 4PY 1.99441 72 4PZ 1.99484 73 5PX 0.05101 74 5PY 0.06215 75 5PZ 0.04658 76 6PX 0.00982 77 6PY 0.04980 78 6PZ -0.00590 79 7D 0 1.65740 80 7D+1 1.65403 81 7D-1 1.63738 82 7D+2 1.63961 83 7D-2 1.64597 84 8D 0 0.32215 85 8D+1 0.32208 86 8D-1 0.32423 87 8D+2 0.32444 88 8D-2 0.32420 89 5 Cu 1S 2.00550 90 2S 0.71691 91 3S 0.40413 92 4PX 1.99477 93 4PY 1.99466 94 4PZ 1.99409 95 5PX 0.05595 96 5PY 0.05348 97 5PZ 0.07642 98 6PX -0.00834 99 6PY -0.01779 100 6PZ 0.04978 101 7D 0 1.64491 102 7D+1 1.64613 103 7D-1 1.63760 104 7D+2 1.65370 105 7D-2 1.66094 106 8D 0 0.32576 107 8D+1 0.32468 108 8D-1 0.32519 109 8D+2 0.32304 110 8D-2 0.32209 111 6 Cu 1S 1.99709 112 2S 0.59964 113 3S -0.31605 114 4PX 1.99539 115 4PY 1.99578 116 4PZ 1.99528 117 5PX 0.30422 118 5PY 0.35252 119 5PZ 0.28722 120 6PX -0.03053 121 6PY 0.05105 122 6PZ -0.05948 123 7D 0 1.66072 124 7D+1 1.65414 125 7D-1 1.61263 126 7D+2 1.61151 127 7D-2 1.63093 128 8D 0 0.30129 129 8D+1 0.30470 130 8D-1 0.31079 131 8D+2 0.30863 132 8D-2 0.30307 133 7 Cu 1S 2.00550 134 2S 0.71704 135 3S 0.40399 136 4PX 1.99437 137 4PY 1.99447 138 4PZ 1.99469 139 5PX 0.06226 140 5PY 0.06493 141 5PZ 0.05865 142 6PX 0.00967 143 6PY 0.01236 144 6PZ 0.00189 145 7D 0 1.65678 146 7D+1 1.65010 147 7D-1 1.64091 148 7D+2 1.64210 149 7D-2 1.65335 150 8D 0 0.32301 151 8D+1 0.32337 152 8D-1 0.32565 153 8D+2 0.32414 154 8D-2 0.32448 155 8 Cu 1S 2.00381 156 2S 0.61592 157 3S -0.15960 158 4PX 1.99434 159 4PY 1.99521 160 4PZ 1.99486 161 5PX 0.10958 162 5PY 0.23450 163 5PZ 0.18205 164 6PX -0.00010 165 6PY 0.01879 166 6PZ 0.01871 167 7D 0 1.63662 168 7D+1 1.64836 169 7D-1 1.64805 170 7D+2 1.65285 171 7D-2 1.63831 172 8D 0 0.31959 173 8D+1 0.31766 174 8D-1 0.31759 175 8D+2 0.31674 176 8D-2 0.31733 177 9 C 1S 1.99857 178 2S 0.89018 179 3S 0.67619 180 4PX 0.63220 181 4PY 0.88275 182 4PZ 0.55566 183 5PX 0.08447 184 5PY 0.05243 185 5PZ 0.09488 186 10 O 1S 1.99922 187 2S 0.99039 188 3S 0.83846 189 4PX 1.11227 190 4PY 1.16527 191 4PZ 1.09618 192 5PX 0.33195 193 5PY 0.19808 194 5PZ 0.37266 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.344282 -0.106738 -0.018061 -0.092097 -0.107864 -0.229591 2 Cu -0.106738 19.122406 -0.107296 0.080459 0.088000 -0.028280 3 Cu -0.018061 -0.107296 19.345302 -0.092409 0.037702 -0.230403 4 Cu -0.092097 0.080459 -0.092409 19.071724 0.081462 0.115049 5 Cu -0.107864 0.088000 0.037702 0.081462 19.127066 -0.029846 6 Cu -0.229591 -0.028280 -0.230403 0.115049 -0.029846 19.343004 7 Cu 0.038277 0.087928 -0.107388 0.081281 0.089273 -0.030461 8 Cu -0.018829 0.040486 -0.019159 -0.093375 -0.107139 -0.226030 9 C 0.011807 0.012286 0.011963 -0.003751 0.013809 0.144920 10 O -0.001060 -0.007835 -0.001006 0.000039 -0.008856 0.042183 7 8 9 10 1 Cu 0.038277 -0.018829 0.011807 -0.001060 2 Cu 0.087928 0.040486 0.012286 -0.007835 3 Cu -0.107388 -0.019159 0.011963 -0.001006 4 Cu 0.081281 -0.093375 -0.003751 0.000039 5 Cu 0.089273 -0.107139 0.013809 -0.008856 6 Cu -0.030461 -0.226030 0.144920 0.042183 7 Cu 19.125964 -0.106024 0.013647 -0.008813 8 Cu -0.106024 19.341994 0.010882 -0.001631 9 C 0.013647 0.010882 5.093968 0.557800 10 O -0.008813 -0.001631 0.557800 7.533667 Mulliken atomic charges: 1 1 Cu 0.179875 2 Cu -0.181417 3 Cu 0.180754 4 Cu -0.148383 5 Cu -0.183607 6 Cu 0.129454 7 Cu -0.183683 8 Cu 0.178826 9 C 0.132669 10 O -0.104488 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.179875 2 Cu -0.181417 3 Cu 0.180754 4 Cu -0.148383 5 Cu -0.183607 6 Cu 0.129454 7 Cu -0.183683 8 Cu 0.178826 9 C 0.132669 10 O -0.104488 Sum of Mulliken charges= 0.00000 Electronic spatial extent (au): = 3720.8599 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2562 Y= -0.4452 Z= 0.0340 Tot= 0.5148 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.5008 YY= -117.4977 ZZ= -111.8945 XY= 3.0648 XZ= -0.2865 YZ= 0.5096 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.7968 YY= -3.2000 ZZ= 2.4032 XY= 3.0648 XZ= -0.2865 YZ= 0.5096 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 14.6453 YYY= 202.4697 ZZZ= -86.6597 XYY= -16.5574 XXY= 61.7604 XXZ= -40.7662 XZZ= 8.2942 YZZ= 54.9075 YYZ= -40.1050 XYZ= -0.6117 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1302.1828 YYYY= -2272.4145 ZZZZ= -1085.1790 XXXY= 245.0011 XXXZ= -41.1790 YYYX= 309.7154 YYYZ= 135.9485 ZZZX= -10.3628 ZZZY= 78.0816 XXYY= -592.6098 XXZZ= -403.8489 YYZZ= -550.5072 XXYZ= 45.9960 YYXZ= -6.3399 ZZXY= 75.2479 N-N= 2.113973078327D+03 E-N=-8.338225956280D+03 KE= 1.132179389002D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.27107 29.12426 2 O -10.35227 15.96894 3 O -4.34299 2.68614 4 O -4.30025 2.68355 5 O -4.30001 2.68883 6 O -4.29993 2.68870 7 O -4.28373 2.68764 8 O -4.28371 2.68764 9 O -4.28369 2.68764 10 O -4.27254 2.68790 11 O -2.85377 5.08049 12 O -2.84689 5.08663 13 O -2.84687 5.08658 14 O -2.80872 5.06569 15 O -2.80813 5.07557 16 O -2.80810 5.07563 17 O -2.80714 5.09506 18 O -2.80696 5.09467 19 O -2.80692 5.09478 20 O -2.80660 5.08070 21 O -2.80629 5.08935 22 O -2.80621 5.08900 23 O -2.79291 5.08592 24 O -2.79289 5.08588 25 O -2.79286 5.08581 26 O -2.79016 5.08811 27 O -2.79012 5.08850 28 O -2.79010 5.08873 29 O -2.79008 5.08989 30 O -2.79004 5.08984 31 O -2.79004 5.08983 32 O -2.78193 5.08612 33 O -2.77856 5.08973 34 O -2.77855 5.08973 35 O -1.18802 2.85783 36 O -0.58676 2.51737 37 O -0.48336 2.02953 38 O -0.48334 2.02787 39 O -0.47414 2.37083 40 O -0.35853 1.76158 41 O -0.33647 7.86310 42 O -0.33633 7.86381 43 O -0.32447 8.77415 44 O -0.32440 7.31762 45 O -0.32426 8.56687 46 O -0.32136 7.66051 47 O -0.30924 7.84676 48 O -0.30751 8.35636 49 O -0.30749 8.35600 50 O -0.29897 8.69999 51 O -0.29892 8.70045 52 O -0.29362 8.51017 53 O -0.29056 8.92751 54 O -0.28583 8.73991 55 O -0.28574 8.74269 56 O -0.28481 8.74987 57 O -0.28474 8.74717 58 O -0.27424 9.14704 59 O -0.27422 9.14757 60 O -0.26738 9.16041 61 O -0.26520 9.11748 62 O -0.26518 9.11681 63 O -0.26387 8.89792 64 O -0.26252 9.14259 65 O -0.26249 9.14290 66 O -0.26123 8.72777 67 O -0.25853 9.28079 68 O -0.25851 9.28219 69 O -0.25772 9.43453 70 O -0.25770 9.43406 71 O -0.25685 9.65059 72 O -0.25263 9.41741 73 O -0.25261 9.42373 74 O -0.25256 9.33046 75 O -0.24848 9.40488 76 O -0.24847 9.40616 77 O -0.24816 9.23096 78 O -0.24644 9.73767 79 O -0.24335 9.53417 80 O -0.24332 9.53373 81 O -0.20300 2.64646 82 O -0.20297 2.64641 83 O -0.18695 2.44352 84 V -0.08621 1.93752 85 V -0.08602 1.94010 86 V -0.07931 0.87641 87 V -0.07077 0.95271 88 V -0.07059 0.95097 89 V -0.04250 1.06584 90 V -0.03085 0.89952 91 V -0.03080 0.89484 92 V -0.00554 0.62261 93 V -0.00551 0.62226 94 V -0.00482 0.47302 95 V 0.01920 0.34171 96 V 0.02286 0.44256 97 V 0.02805 0.44503 98 V 0.02824 0.44206 99 V 0.03041 0.49094 100 V 0.03891 0.43896 101 V 0.04219 0.40153 102 V 0.04223 0.40249 103 V 0.04459 0.35564 104 V 0.04469 0.35576 105 V 0.04949 0.37676 106 V 0.04951 0.37830 107 V 0.06113 0.47113 108 V 0.06808 0.48734 109 V 0.07005 0.47717 110 V 0.07009 0.47410 111 V 0.08091 0.28975 112 V 0.08096 0.28937 113 V 0.08225 0.37718 114 V 0.08552 0.23649 115 V 0.08571 0.22835 116 V 0.08574 0.22715 117 V 0.10489 0.58445 118 V 0.10510 0.58752 119 V 0.10590 0.51866 120 V 0.10815 0.84583 121 V 0.11878 0.31646 122 V 0.11897 0.31767 123 V 0.15521 0.89548 124 V 0.15528 0.89592 125 V 0.19959 1.24340 126 V 0.21406 0.98612 127 V 0.22796 1.45869 128 V 0.22849 1.45952 129 V 0.24393 1.23338 130 V 0.24889 1.29075 131 V 0.24967 1.29993 132 V 0.25848 1.32737 133 V 0.28898 1.23767 134 V 0.28962 1.23594 135 V 0.30379 1.71916 136 V 0.32174 1.51632 137 V 0.32179 1.51538 138 V 0.34654 1.80633 139 V 0.39683 1.43104 140 V 0.39915 1.42639 141 V 0.53552 2.72314 142 V 0.64085 3.57759 143 V 0.65956 3.95868 144 V 0.65983 3.95017 145 V 0.67474 4.22332 146 V 0.67492 4.21729 147 V 0.67928 3.53495 148 V 0.69818 4.05885 149 V 0.70934 3.81885 150 V 0.70994 3.82935 151 V 0.74882 3.69213 152 V 0.75149 3.73355 153 V 0.79121 4.63608 154 V 0.79637 4.19380 155 V 0.79680 4.15346 156 V 0.83493 3.32162 157 V 0.85988 4.31797 158 V 0.86012 4.30090 159 V 0.86420 4.42701 160 V 0.86920 4.32735 161 V 0.87114 4.33473 162 V 0.88266 4.55862 163 V 0.88391 4.55068 164 V 0.89055 4.03316 165 V 0.93551 3.94516 166 V 0.99734 4.00765 167 V 1.05829 4.52815 168 V 1.05855 4.53036 169 V 1.06013 4.56329 170 V 1.06017 4.56559 171 V 1.08670 4.44225 172 V 1.17078 4.14980 173 V 1.17960 4.26707 174 V 1.17974 4.26739 175 V 1.23148 4.66274 176 V 1.23322 4.66604 177 V 1.28210 4.66821 178 V 1.31034 4.62841 179 V 1.31070 4.62700 180 V 1.31675 4.68109 181 V 1.31710 4.68122 182 V 1.32180 4.63600 183 V 1.33010 4.66500 184 V 1.33086 4.66563 185 V 1.35457 4.81882 186 V 1.52251 2.35411 187 V 1.64190 3.76710 188 V 1.83993 1.96639 189 V 1.84176 1.96483 190 V 2.01987 1.86647 191 V 2.30405 1.36982 192 V 2.31087 1.37849 193 V 3.67490 1.42133 194 V 11.94035 3.23449 Total kinetic energy from orbitals= 1.132179389002D+03 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:23:02 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 14:23:08 2008, MaxMem= 1258291200 cpu: 19.9 (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 14:23:08 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 14:23:37 2008, MaxMem= 1258291200 cpu: 104.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole = 1.00786034D-01-1.75170091D-01 1.33859009D-02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000061713 0.000015310 -0.000064292 2 29 -0.000009452 -0.000004991 0.000026616 3 29 0.000023760 -0.000032545 0.000012359 4 29 -0.000006515 0.000022889 -0.000008093 5 29 0.000000467 -0.000020179 -0.000048930 6 29 -0.000004330 0.000047154 0.000183384 7 29 -0.000003258 0.000048345 0.000018076 8 29 -0.000032132 -0.000091898 -0.000024180 9 6 -0.000114570 -0.000025082 -0.000113537 10 8 0.000084318 0.000040996 0.000018599 ------------------------------------------------------------------- Cartesian Forces: Max 0.000183384 RMS 0.000057330 Leave Link 716 at Fri Apr 11 14:23:38 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000043405 RMS 0.000010075 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 --- 0.00249 0.01063 0.02434 0.03072 0.04841 Eigenvalues --- 0.05157 0.06647 0.07316 0.07590 0.08119 Eigenvalues --- 0.08392 0.08592 0.08787 0.09302 0.09423 Eigenvalues --- 0.09451 0.09849 0.10190 0.11042 0.11516 Eigenvalues --- 0.12513 0.13584 0.15053 1.215881000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 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 --- 1000.000001000.000001000.000001000.00000 RFO step: Lambda=-2.10099847D-07. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00009760 RMS(Int)= 0.00000044 Iteration 2 RMS(Cart)= 0.00000013 RMS(Int)= 0.00000007 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.68759 -0.00002 0.00000 -0.00027 -0.00027 4.68732 R2 4.74840 0.00000 0.00000 0.00008 0.00008 4.74848 R3 4.68464 0.00001 0.00000 0.00010 0.00010 4.68474 R4 4.68721 0.00000 0.00000 -0.00012 -0.00012 4.68709 R5 4.76876 -0.00001 0.00000 -0.00006 -0.00006 4.76870 R6 4.74521 0.00001 0.00000 0.00004 0.00004 4.74525 R7 4.68606 -0.00001 0.00000 -0.00015 -0.00015 4.68591 R8 4.74544 0.00002 0.00000 0.00034 0.00034 4.74578 R9 4.77523 -0.00003 0.00000 -0.00057 -0.00057 4.77466 R10 4.68765 0.00000 0.00000 0.00000 0.00000 4.68765 R11 6.86561 -0.00002 0.00000 -0.00057 -0.00057 6.86503 R12 4.76921 0.00000 0.00000 -0.00003 -0.00003 4.76919 R13 3.62432 -0.00001 0.00000 -0.00017 -0.00017 3.62415 R14 4.68960 -0.00004 0.00000 -0.00052 -0.00052 4.68908 R15 6.87825 0.00000 0.00000 -0.00015 -0.00015 6.87810 R16 8.24879 -0.00002 0.00000 -0.00059 -0.00059 8.24820 R17 2.21061 0.00000 0.00000 0.00000 0.00000 2.21061 A1 1.97105 0.00001 0.00000 0.00004 0.00004 1.97109 A2 1.95842 0.00000 0.00000 -0.00006 -0.00006 1.95836 A3 1.97326 -0.00001 0.00000 -0.00009 -0.00009 1.97317 A4 1.05463 0.00000 0.00000 0.00003 0.00003 1.05465 A5 1.11191 0.00000 0.00000 -0.00002 -0.00002 1.11189 A6 1.11196 -0.00001 0.00000 -0.00005 -0.00005 1.11192 A7 1.97220 0.00000 0.00000 0.00001 0.00001 1.97220 A8 1.95698 0.00001 0.00000 0.00005 0.00005 1.95703 A9 1.97340 0.00000 0.00000 -0.00002 -0.00002 1.97338 A10 1.04008 -0.00001 0.00000 -0.00004 -0.00004 1.04005 A11 1.03959 0.00001 0.00000 0.00009 0.00009 1.03968 A12 1.04043 0.00000 0.00000 -0.00006 -0.00006 1.04037 A13 1.11142 0.00000 0.00000 0.00000 0.00000 1.11142 A14 1.05447 0.00001 0.00000 0.00013 0.00013 1.05459 A15 1.56191 0.00000 0.00000 -0.00002 -0.00002 1.56190 A16 1.11317 0.00000 0.00000 -0.00004 -0.00004 1.11313 A17 1.90587 0.00000 0.00000 0.00008 0.00008 1.90594 A18 1.90659 0.00000 0.00000 -0.00001 -0.00001 1.90659 A19 1.93898 -0.00001 0.00000 -0.00017 -0.00017 1.93881 A20 1.90412 0.00000 0.00000 0.00008 0.00008 1.90419 A21 1.11205 -0.00001 0.00000 -0.00005 -0.00005 1.11200 A22 1.05451 0.00001 0.00000 0.00007 0.00007 1.05458 A23 1.56159 -0.00001 0.00000 -0.00010 -0.00010 1.56149 A24 1.11373 0.00000 0.00000 -0.00005 -0.00005 1.11368 A25 1.97325 -0.00002 0.00000 -0.00014 -0.00014 1.97311 A26 1.97220 0.00000 0.00000 0.00000 0.00000 1.97220 A27 2.20296 -0.00001 0.00000 -0.00008 -0.00008 2.20289 A28 1.95512 0.00000 0.00000 0.00006 0.00006 1.95518 A29 1.20258 0.00000 0.00000 0.00003 0.00003 1.20261 A30 2.41447 0.00001 0.00000 0.00012 0.00012 2.41459 A31 0.34932 0.00000 0.00000 -0.00002 -0.00002 0.34930 A32 3.12026 0.00000 0.00000 0.00020 0.00020 3.12046 A33 2.41516 0.00000 0.00000 0.00011 0.00011 2.41527 A34 2.77110 0.00000 0.00000 0.00022 0.00022 2.77132 A35 1.57364 0.00000 0.00000 -0.00003 -0.00003 1.57361 A36 3.57289 -0.00001 0.00000 -0.00010 -0.00010 3.57279 A37 1.57376 -0.00001 0.00000 -0.00010 -0.00010 1.57366 A38 2.33874 -0.00001 0.00000 -0.00012 -0.00012 2.33862 A39 3.36689 -0.00001 0.00000 -0.00008 -0.00008 3.36680 A40 4.92156 0.00003 0.00000 0.00033 0.00033 4.92189 A41 2.91207 0.00000 0.00000 -0.00001 -0.00001 2.91206 A42 3.64590 -0.00001 0.00000 -0.00005 -0.00005 3.64585 D1 -0.51264 0.00000 0.00000 0.00003 0.00003 -0.51261 D2 -1.79168 0.00001 0.00000 0.00009 0.00009 -1.79159 D3 1.74244 -0.00001 0.00000 -0.00011 -0.00011 1.74233 D4 0.46340 0.00000 0.00000 -0.00005 -0.00005 0.46335 D5 0.51045 0.00000 0.00000 -0.00003 -0.00003 0.51042 D6 1.73916 -0.00001 0.00000 -0.00013 -0.00013 1.73903 D7 -1.73699 0.00001 0.00000 0.00010 0.00010 -1.73689 D8 -0.50828 0.00000 0.00000 0.00000 0.00000 -0.50828 D9 -0.46285 0.00000 0.00000 0.00000 0.00000 -0.46285 D10 -1.74361 0.00001 0.00000 0.00010 0.00010 -1.74351 D11 -0.18685 0.00001 0.00000 0.00007 0.00007 -0.18678 D12 1.79108 0.00000 0.00000 -0.00007 -0.00007 1.79101 D13 0.51033 0.00000 0.00000 0.00002 0.00002 0.51035 D14 2.06708 0.00000 0.00000 0.00000 0.00000 2.06708 D15 -1.66601 -0.00001 0.00000 -0.00002 -0.00002 -1.66602 D16 1.56594 -0.00003 0.00000 -0.00087 -0.00087 1.56507 D17 0.01239 0.00001 0.00000 0.00004 0.00004 0.01243 D18 -3.03885 -0.00002 0.00000 -0.00082 -0.00082 -3.03966 D19 0.51329 -0.00001 0.00000 -0.00004 -0.00004 0.51326 D20 -1.74172 -0.00001 0.00000 -0.00006 -0.00006 -1.74178 D21 1.79224 0.00000 0.00000 -0.00005 -0.00005 1.79220 D22 -0.46277 0.00000 0.00000 -0.00007 -0.00007 -0.46284 D23 -0.44437 0.00000 0.00000 -0.00004 -0.00004 -0.44441 D24 1.63676 0.00000 0.00000 0.00009 0.00009 1.63686 D25 -2.54049 0.00000 0.00000 -0.00002 -0.00002 -2.54051 D26 -1.63622 0.00000 0.00000 -0.00010 -0.00010 -1.63631 D27 0.44492 0.00000 0.00000 0.00004 0.00004 0.44496 D28 2.55085 0.00000 0.00000 -0.00007 -0.00007 2.55078 D29 0.52821 0.00001 0.00000 0.00008 0.00008 0.52829 D30 -2.61355 0.00000 0.00000 0.00002 0.00002 -2.61352 D31 -0.52680 0.00000 0.00000 0.00005 0.00005 -0.52676 D32 2.61462 0.00000 0.00000 0.00000 0.00000 2.61462 D33 -0.51077 0.00001 0.00000 0.00006 0.00006 -0.51071 D34 -1.73809 -0.00001 0.00000 -0.00009 -0.00009 -1.73818 D35 1.73579 0.00002 0.00000 0.00012 0.00012 1.73592 D36 0.50848 0.00000 0.00000 -0.00003 -0.00003 0.50845 D37 0.46271 0.00000 0.00000 0.00007 0.00007 0.46277 D38 1.74384 0.00000 0.00000 0.00000 0.00000 1.74384 D39 0.19028 0.00000 0.00000 0.00000 0.00000 0.19028 D40 -1.79168 0.00000 0.00000 0.00003 0.00003 -1.79166 D41 -0.51055 0.00000 0.00000 -0.00003 -0.00003 -0.51058 D42 -2.06411 -0.00001 0.00000 -0.00004 -0.00004 -2.06415 D43 1.66982 0.00000 0.00000 0.00003 0.00003 1.66985 D44 -1.56252 0.00002 0.00000 0.00080 0.00080 -1.56172 D45 -0.01042 0.00000 0.00000 0.00004 0.00004 -0.01038 D46 3.04042 0.00002 0.00000 0.00080 0.00080 3.04123 D47 0.50792 0.00000 0.00000 0.00000 0.00000 0.50792 D48 -1.73590 0.00001 0.00000 0.00003 0.00003 -1.73587 D49 -0.61263 0.00001 0.00000 0.00011 0.00011 -0.61252 D50 1.73605 -0.00001 0.00000 -0.00006 -0.00006 1.73599 D51 -0.50777 0.00000 0.00000 -0.00002 -0.00002 -0.50779 D52 0.61550 0.00000 0.00000 0.00006 0.00006 0.61555 D53 -1.22924 0.00000 0.00000 0.00078 0.00078 -1.22846 D54 2.08692 0.00002 0.00000 0.00000 0.00000 2.08692 D55 0.85077 -0.00001 0.00000 0.00073 0.00073 0.85150 D56 -2.11626 0.00001 0.00000 -0.00006 -0.00006 -2.11631 D57 0.44479 0.00000 0.00000 0.00000 0.00000 0.44479 D58 -1.63788 -0.00001 0.00000 -0.00008 -0.00008 -1.63796 D59 1.63620 0.00001 0.00000 0.00016 0.00016 1.63637 D60 -0.44646 0.00001 0.00000 0.00008 0.00008 -0.44639 D61 -0.51067 0.00000 0.00000 0.00002 0.00002 -0.51066 D62 1.74195 -0.00001 0.00000 -0.00005 -0.00005 1.74190 D63 -1.78855 0.00000 0.00000 0.00004 0.00004 -1.78852 D64 0.46407 0.00000 0.00000 -0.00003 -0.00003 0.46404 D65 -1.17071 -0.00001 0.00000 -0.00008 -0.00008 -1.17080 D66 2.66004 -0.00001 0.00000 -0.00040 -0.00040 2.65964 D67 -0.44501 0.00000 0.00000 -0.00004 -0.00005 -0.44506 D68 -1.63609 -0.00001 0.00000 -0.00016 -0.00016 -1.63624 D69 1.63721 0.00000 0.00000 0.00009 0.00009 1.63730 D70 0.44613 -0.00001 0.00000 -0.00002 -0.00002 0.44611 D71 3.13211 0.00002 0.00000 0.00024 0.00024 3.13235 D72 -3.02672 -0.00002 0.00000 -0.00009 -0.00009 -3.02680 D73 0.51024 0.00000 0.00000 0.00000 0.00000 0.51024 D74 -1.74293 0.00002 0.00000 0.00014 0.00014 -1.74279 D75 1.78861 -0.00001 0.00000 -0.00005 -0.00005 1.78855 D76 -0.46456 0.00001 0.00000 0.00008 0.00008 -0.46448 D77 1.17072 0.00000 0.00000 0.00004 0.00004 1.17076 D78 -2.66067 0.00001 0.00000 0.00036 0.00036 -2.66031 D79 -0.00895 0.00000 0.00000 0.00007 0.00007 -0.00887 D80 3.13995 0.00000 0.00000 -0.00001 -0.00001 3.13994 Item Value Threshold Converged? Maximum Force 0.000043 0.000450 YES RMS Force 0.000010 0.000300 YES Maximum Displacement 0.000501 0.001800 YES RMS Displacement 0.000098 0.001200 YES Predicted change in Energy=-1.049896D-07 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 2.4806 -DE/DX = 0.0 ! ! R2 R(1,4) 2.5127 -DE/DX = 0.0 ! ! R3 R(1,5) 2.479 -DE/DX = 0.0 ! ! R4 R(2,3) 2.4804 -DE/DX = 0.0 ! ! R5 R(2,6) 2.5235 -DE/DX = 0.0 ! ! R6 R(3,4) 2.5111 -DE/DX = 0.0 ! ! R7 R(3,7) 2.4798 -DE/DX = 0.0 ! ! R8 R(4,8) 2.5112 -DE/DX = 0.0 ! ! R9 R(5,6) 2.5269 -DE/DX = 0.0 ! ! R10 R(5,8) 2.4806 -DE/DX = 0.0 ! ! R11 R(5,9) 3.6331 -DE/DX = 0.0 ! ! R12 R(6,7) 2.5238 -DE/DX = 0.0 ! ! R13 R(6,9) 1.9179 -DE/DX = 0.0 ! ! R14 R(7,8) 2.4816 -DE/DX = 0.0 ! ! R15 R(7,9) 3.6398 -DE/DX = 0.0 ! ! R16 R(8,9) 4.3651 -DE/DX = 0.0 ! ! R17 R(9,10) 1.1698 -DE/DX = 0.0 ! ! A1 A(2,1,4) 112.9327 -DE/DX = 0.0 ! ! A2 A(2,1,5) 112.2093 -DE/DX = 0.0 ! ! A3 A(4,1,5) 113.0593 -DE/DX = 0.0 ! ! A4 A(1,2,3) 60.4257 -DE/DX = 0.0 ! ! A5 A(1,2,6) 63.7077 -DE/DX = 0.0 ! ! A6 A(3,2,6) 63.7107 -DE/DX = 0.0 ! ! A7 A(2,3,4) 112.9985 -DE/DX = 0.0 ! ! A8 A(2,3,7) 112.1266 -DE/DX = 0.0 ! ! A9 A(4,3,7) 113.0677 -DE/DX = 0.0 ! ! A10 A(1,4,3) 59.5923 -DE/DX = 0.0 ! ! A11 A(1,4,8) 59.5641 -DE/DX = 0.0 ! ! A12 A(3,4,8) 59.6124 -DE/DX = 0.0 ! ! A13 A(1,5,6) 63.6796 -DE/DX = 0.0 ! ! A14 A(1,5,8) 60.4165 -DE/DX = 0.0 ! ! A15 A(1,5,9) 89.491 -DE/DX = 0.0 ! ! A16 A(6,5,8) 63.7798 -DE/DX = 0.0 ! ! A17 A(2,6,5) 109.1982 -DE/DX = 0.0 ! ! A18 A(2,6,7) 109.2397 -DE/DX = 0.0 ! ! A19 A(2,6,9) 111.0951 -DE/DX = 0.0 ! ! A20 A(5,6,7) 109.0978 -DE/DX = 0.0 ! ! A21 A(3,7,6) 63.7157 -DE/DX = 0.0 ! ! A22 A(3,7,8) 60.4191 -DE/DX = 0.0 ! ! A23 A(3,7,9) 89.4725 -DE/DX = 0.0 ! ! A24 A(6,7,8) 63.8118 -DE/DX = 0.0 ! ! A25 A(4,8,5) 113.0587 -DE/DX = 0.0 ! ! A26 A(4,8,7) 112.9987 -DE/DX = 0.0 ! ! A27 A(4,8,9) 126.2205 -DE/DX = 0.0 ! ! A28 A(5,8,7) 112.02 -DE/DX = 0.0 ! ! A29 A(5,9,7) 68.9028 -DE/DX = 0.0 ! ! A30 A(5,9,10) 138.3391 -DE/DX = 0.0 ! ! A31 A(6,9,8) 20.0146 -DE/DX = 0.0 ! ! A32 A(6,9,10) 178.7778 -DE/DX = 0.0 ! ! A33 A(7,9,10) 138.3785 -DE/DX = 0.0 ! ! A34 A(8,9,10) 158.7721 -DE/DX = 0.0 ! ! A35 L(1,5,9,2,-1) 90.1627 -DE/DX = 0.0 ! ! A36 L(2,6,9,1,-1) 204.7114 -DE/DX = 0.0 ! ! A37 L(3,7,9,2,-1) 90.1699 -DE/DX = 0.0 ! ! A38 L(4,8,9,1,-1) 134.0001 -DE/DX = 0.0 ! ! A39 L(1,5,9,2,-2) 192.9085 -DE/DX = 0.0 ! ! A40 L(2,6,9,1,-2) 281.9848 -DE/DX = 0.0 ! ! A41 L(3,7,9,2,-2) 166.8492 -DE/DX = 0.0 ! ! A42 L(4,8,9,1,-2) 208.8947 -DE/DX = 0.0 ! ! D1 D(4,1,2,3) -29.3722 -DE/DX = 0.0 ! ! D2 D(4,1,2,6) -102.6556 -DE/DX = 0.0 ! ! D3 D(5,1,2,3) 99.8345 -DE/DX = 0.0 ! ! D4 D(5,1,2,6) 26.5511 -DE/DX = 0.0 ! ! D5 D(2,1,4,3) 29.2467 -DE/DX = 0.0 ! ! D6 D(2,1,4,8) 99.6464 -DE/DX = 0.0 ! ! D7 D(5,1,4,3) -99.5222 -DE/DX = 0.0 ! ! D8 D(5,1,4,8) -29.1224 -DE/DX = 0.0 ! ! D9 D(2,1,5,6) -26.5193 -DE/DX = 0.0 ! ! D10 D(2,1,5,8) -99.9012 -DE/DX = 0.0 ! ! D11 D(2,1,5,9) -10.7057 -DE/DX = 0.0 ! ! D12 D(4,1,5,6) 102.6215 -DE/DX = 0.0 ! ! D13 D(4,1,5,8) 29.2395 -DE/DX = 0.0 ! ! D14 D(4,1,5,9) 118.4351 -DE/DX = 0.0 ! ! D15 D(2,1,9,7) -95.4551 -DE/DX = 0.0 ! ! D16 D(2,1,9,10) 89.7219 -DE/DX = 0.0 ! ! D17 D(4,1,9,7) 0.7099 -DE/DX = 0.0 ! ! D18 D(4,1,9,10) -174.1131 -DE/DX = 0.0 ! ! D19 D(1,2,3,4) 29.4096 -DE/DX = 0.0 ! ! D20 D(1,2,3,7) -99.7933 -DE/DX = 0.0 ! ! D21 D(6,2,3,4) 102.6879 -DE/DX = 0.0 ! ! D22 D(6,2,3,7) -26.515 -DE/DX = 0.0 ! ! D23 D(1,2,6,5) -25.4605 -DE/DX = 0.0 ! ! D24 D(1,2,6,7) 93.7795 -DE/DX = 0.0 ! ! D25 D(1,2,6,9) -145.5596 -DE/DX = 0.0 ! ! D26 D(3,2,6,5) -93.7483 -DE/DX = 0.0 ! ! D27 D(3,2,6,7) 25.4918 -DE/DX = 0.0 ! ! D28 D(3,2,6,9) 146.1527 -DE/DX = 0.0 ! ! D29 D(1,2,9,8) 30.2645 -DE/DX = 0.0 ! ! D30 D(1,2,9,10) -149.7451 -DE/DX = 0.0 ! ! D31 D(3,2,9,8) -30.1836 -DE/DX = 0.0 ! ! D32 D(3,2,9,10) 149.8068 -DE/DX = 0.0 ! ! D33 D(2,3,4,1) -29.2649 -DE/DX = 0.0 ! ! D34 D(2,3,4,8) -99.5851 -DE/DX = 0.0 ! ! D35 D(7,3,4,1) 99.4537 -DE/DX = 0.0 ! ! D36 D(7,3,4,8) 29.1335 -DE/DX = 0.0 ! ! D37 D(2,3,7,6) 26.5111 -DE/DX = 0.0 ! ! D38 D(2,3,7,8) 99.9145 -DE/DX = 0.0 ! ! D39 D(2,3,7,9) 10.9021 -DE/DX = 0.0 ! ! D40 D(4,3,7,6) -102.6558 -DE/DX = 0.0 ! ! D41 D(4,3,7,8) -29.2524 -DE/DX = 0.0 ! ! D42 D(4,3,7,9) -118.2647 -DE/DX = 0.0 ! ! D43 D(2,3,9,5) 95.6737 -DE/DX = 0.0 ! ! D44 D(2,3,9,10) -89.5257 -DE/DX = 0.0 ! ! D45 D(4,3,9,5) -0.5972 -DE/DX = 0.0 ! ! D46 D(4,3,9,10) 174.2034 -DE/DX = 0.0 ! ! D47 D(1,4,8,5) 29.1018 -DE/DX = 0.0 ! ! D48 D(1,4,8,7) -99.4597 -DE/DX = 0.0 ! ! D49 D(1,4,8,9) -35.1013 -DE/DX = 0.0 ! ! D50 D(3,4,8,5) 99.4684 -DE/DX = 0.0 ! ! D51 D(3,4,8,7) -29.0931 -DE/DX = 0.0 ! ! D52 D(3,4,8,9) 35.2653 -DE/DX = 0.0 ! ! D53 D(1,4,9,6) -70.4304 -DE/DX = 0.0 ! ! D54 D(1,4,9,10) 119.5715 -DE/DX = 0.0 ! ! D55 D(3,4,9,6) 48.7456 -DE/DX = 0.0 ! ! D56 D(3,4,9,10) -121.2525 -DE/DX = 0.0 ! ! D57 D(1,5,6,2) 25.4844 -DE/DX = 0.0 ! ! D58 D(1,5,6,7) -93.8436 -DE/DX = 0.0 ! ! D59 D(8,5,6,2) 93.7476 -DE/DX = 0.0 ! ! D60 D(8,5,6,7) -25.5804 -DE/DX = 0.0 ! ! D61 D(1,5,8,4) -29.2594 -DE/DX = 0.0 ! ! D62 D(1,5,8,7) 99.8062 -DE/DX = 0.0 ! ! D63 D(6,5,8,4) -102.4765 -DE/DX = 0.0 ! ! D64 D(6,5,8,7) 26.5892 -DE/DX = 0.0 ! ! D65 D(1,5,9,7) -67.0768 -DE/DX = 0.0 ! ! D66 D(1,5,9,10) 152.409 -DE/DX = 0.0 ! ! D67 D(2,6,7,3) -25.4973 -DE/DX = 0.0 ! ! D68 D(2,6,7,8) -93.7408 -DE/DX = 0.0 ! ! D69 D(5,6,7,3) 93.805 -DE/DX = 0.0 ! ! D70 D(5,6,7,8) 25.5614 -DE/DX = 0.0 ! ! D71 D(2,6,9,8) 179.457 -DE/DX = 0.0 ! ! D72 D(2,6,9,10) -173.4181 -DE/DX = 0.0 ! ! D73 D(3,7,8,4) 29.2343 -DE/DX = 0.0 ! ! D74 D(3,7,8,5) -99.8627 -DE/DX = 0.0 ! ! D75 D(6,7,8,4) 102.4796 -DE/DX = 0.0 ! ! D76 D(6,7,8,5) -26.6174 -DE/DX = 0.0 ! ! D77 D(3,7,9,5) 67.0774 -DE/DX = 0.0 ! ! D78 D(3,7,9,10) -152.4449 -DE/DX = 0.0 ! ! D79 D(4,8,9,6) -0.5126 -DE/DX = 0.0 ! ! D80 D(4,8,9,10) 179.9061 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Largest change from initial coordinates is atom 0 0.000 Angstoms. Leave Link 103 at Fri Apr 11 14:23:38 2008, MaxMem= 1258291200 cpu: 1.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 0.665734 0.947935 0.814410 2 29 0 1.948355 -0.088796 -1.038500 3 29 0 -0.516759 0.116503 -1.220897 4 29 0 -1.432484 2.089239 0.034155 5 29 0 0.273483 -0.633899 2.682401 6 29 0 0.587072 -1.658354 0.393822 7 29 0 -1.674013 -2.006797 -0.671751 8 29 0 -1.532895 -0.211409 1.035629 9 6 0 1.464675 -3.352669 0.587420 10 8 0 1.979783 -4.394898 0.717257 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.480565 0.000000 3 Cu 2.496406 2.480364 0.000000 4 Cu 2.512745 4.162270 2.511054 0.000000 5 Cu 2.479002 4.116727 4.052570 4.164014 0.000000 6 Cu 2.641179 2.523520 2.641188 4.272285 2.526943 7 Cu 4.051362 4.115190 2.479758 4.163430 4.114356 8 Cu 2.495393 4.054152 2.496391 2.511178 2.480597 9 C 4.380071 3.678373 4.385344 6.189829 3.633123 10 O 5.502911 4.650396 5.508348 7.358956 4.573659 6 7 8 9 10 6 Cu 0.000000 7 Cu 2.523760 0.000000 8 Cu 2.645719 2.481628 0.000000 9 C 1.917908 3.639814 4.365069 0.000000 10 O 3.087544 4.580677 5.471915 1.169802 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): 0.3466437 0.2520527 0.2519521 Leave Link 202 at Fri Apr 11 14:23:39 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 -- -19.27107 -10.35227 -4.34299 -4.30025 -4.30001 Alpha occ. eigenvalues -- -4.29993 -4.28373 -4.28371 -4.28369 -4.27254 Alpha occ. eigenvalues -- -2.85377 -2.84689 -2.84687 -2.80872 -2.80813 Alpha occ. eigenvalues -- -2.80810 -2.80714 -2.80696 -2.80692 -2.80660 Alpha occ. eigenvalues -- -2.80629 -2.80621 -2.79291 -2.79289 -2.79286 Alpha occ. eigenvalues -- -2.79016 -2.79012 -2.79010 -2.79008 -2.79004 Alpha occ. eigenvalues -- -2.79004 -2.78193 -2.77856 -2.77855 -1.18802 Alpha occ. eigenvalues -- -0.58676 -0.48336 -0.48334 -0.47414 -0.35853 Alpha occ. eigenvalues -- -0.33647 -0.33633 -0.32447 -0.32440 -0.32426 Alpha occ. eigenvalues -- -0.32136 -0.30924 -0.30751 -0.30749 -0.29897 Alpha occ. eigenvalues -- -0.29892 -0.29362 -0.29056 -0.28583 -0.28574 Alpha occ. eigenvalues -- -0.28481 -0.28474 -0.27424 -0.27422 -0.26738 Alpha occ. eigenvalues -- -0.26520 -0.26518 -0.26387 -0.26252 -0.26249 Alpha occ. eigenvalues -- -0.26123 -0.25853 -0.25851 -0.25772 -0.25770 Alpha occ. eigenvalues -- -0.25685 -0.25263 -0.25261 -0.25256 -0.24848 Alpha occ. eigenvalues -- -0.24847 -0.24816 -0.24644 -0.24335 -0.24332 Alpha occ. eigenvalues -- -0.20300 -0.20297 -0.18695 Alpha virt. eigenvalues -- -0.08621 -0.08602 -0.07931 -0.07077 -0.07059 Alpha virt. eigenvalues -- -0.04250 -0.03085 -0.03080 -0.00554 -0.00551 Alpha virt. eigenvalues -- -0.00482 0.01920 0.02286 0.02805 0.02824 Alpha virt. eigenvalues -- 0.03041 0.03891 0.04219 0.04223 0.04459 Alpha virt. eigenvalues -- 0.04469 0.04949 0.04951 0.06113 0.06808 Alpha virt. eigenvalues -- 0.07005 0.07009 0.08091 0.08096 0.08225 Alpha virt. eigenvalues -- 0.08552 0.08571 0.08574 0.10489 0.10510 Alpha virt. eigenvalues -- 0.10590 0.10815 0.11878 0.11897 0.15521 Alpha virt. eigenvalues -- 0.15528 0.19959 0.21406 0.22796 0.22849 Alpha virt. eigenvalues -- 0.24393 0.24889 0.24967 0.25848 0.28898 Alpha virt. eigenvalues -- 0.28962 0.30379 0.32174 0.32179 0.34654 Alpha virt. eigenvalues -- 0.39683 0.39915 0.53552 0.64085 0.65956 Alpha virt. eigenvalues -- 0.65983 0.67474 0.67492 0.67928 0.69818 Alpha virt. eigenvalues -- 0.70934 0.70994 0.74882 0.75149 0.79121 Alpha virt. eigenvalues -- 0.79637 0.79680 0.83493 0.85988 0.86012 Alpha virt. eigenvalues -- 0.86420 0.86920 0.87114 0.88266 0.88391 Alpha virt. eigenvalues -- 0.89055 0.93551 0.99734 1.05829 1.05855 Alpha virt. eigenvalues -- 1.06013 1.06017 1.08670 1.17078 1.17960 Alpha virt. eigenvalues -- 1.17974 1.23148 1.23322 1.28210 1.31034 Alpha virt. eigenvalues -- 1.31070 1.31675 1.31710 1.32180 1.33010 Alpha virt. eigenvalues -- 1.33086 1.35457 1.52251 1.64190 1.83993 Alpha virt. eigenvalues -- 1.84176 2.01987 2.30405 2.31087 3.67490 Alpha virt. eigenvalues -- 11.94035 Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.27107 -10.35227 -4.34299 -4.30025 -4.30001 1 1 Cu 1S -0.00006 0.00027 0.00023 0.61249 0.71172 2 2S -0.00010 0.00044 -0.00116 0.00388 0.00708 3 3S -0.00053 0.00310 -0.00372 0.01021 0.01040 4 4PX 0.00000 0.00001 -0.00002 0.00153 0.00161 5 4PY 0.00000 -0.00003 0.00011 0.00174 0.00191 6 4PZ 0.00000 0.00000 0.00001 0.00097 0.00095 7 5PX -0.00009 -0.00005 0.00018 -0.00072 -0.00196 8 5PY 0.00019 -0.00141 0.00303 -0.00208 -0.00250 9 5PZ -0.00002 -0.00022 0.00052 -0.00046 -0.00188 10 6PX -0.00013 -0.00037 0.00090 -0.00101 -0.00145 11 6PY 0.00028 0.00027 -0.00021 -0.00149 -0.00174 12 6PZ 0.00001 -0.00012 0.00025 -0.00050 -0.00155 13 7D 0 0.00000 0.00001 -0.00001 0.00008 0.00012 14 7D+1 0.00000 0.00000 0.00001 -0.00008 -0.00003 15 7D-1 0.00000 -0.00001 0.00000 -0.00002 0.00003 16 7D+2 0.00000 0.00002 0.00000 0.00001 0.00004 17 7D-2 0.00000 0.00000 -0.00001 0.00005 0.00008 18 8D 0 0.00000 -0.00010 0.00023 -0.00010 -0.00011 19 8D+1 0.00001 0.00002 -0.00007 0.00008 0.00005 20 8D-1 0.00000 0.00005 -0.00011 0.00009 0.00006 21 8D+2 0.00002 -0.00015 0.00030 -0.00008 -0.00011 22 8D-2 0.00001 0.00000 0.00002 0.00006 0.00013 23 2 Cu 1S -0.00006 0.00004 0.00069 0.00613 0.00003 24 2S -0.00007 -0.00002 -0.00056 -0.00073 0.00000 25 3S 0.00034 -0.00330 -0.00292 -0.00535 -0.00019 26 4PX 0.00001 -0.00002 0.00006 0.00012 -0.00003 27 4PY 0.00001 -0.00002 0.00004 -0.00003 -0.00002 28 4PZ -0.00001 0.00002 -0.00005 -0.00006 -0.00005 29 5PX -0.00008 0.00032 0.00073 0.00121 -0.00039 30 5PY -0.00004 0.00049 0.00125 -0.00072 -0.00031 31 5PZ 0.00006 -0.00038 -0.00094 -0.00037 -0.00078 32 6PX 0.00014 0.00101 -0.00018 0.00131 0.00028 33 6PY -0.00038 -0.00049 0.00125 0.00024 0.00016 34 6PZ 0.00007 -0.00039 -0.00042 -0.00088 0.00045 35 7D 0 0.00000 -0.00001 0.00001 0.00001 -0.00006 36 7D+1 0.00000 0.00001 0.00003 0.00003 0.00006 37 7D-1 0.00000 -0.00001 0.00005 -0.00003 -0.00004 38 7D+2 0.00000 -0.00003 0.00003 -0.00006 0.00006 39 7D-2 0.00000 0.00000 -0.00004 0.00002 0.00002 40 8D 0 -0.00001 0.00005 -0.00005 -0.00001 0.00020 41 8D+1 0.00001 -0.00010 0.00001 -0.00012 -0.00018 42 8D-1 0.00000 0.00008 -0.00015 0.00009 0.00011 43 8D+2 -0.00002 0.00019 -0.00017 0.00021 -0.00016 44 8D-2 -0.00002 0.00004 0.00003 -0.00004 -0.00006 45 3 Cu 1S -0.00006 0.00027 0.00022 0.65647 -0.70412 46 2S -0.00010 0.00045 -0.00117 0.00433 -0.00718 47 3S -0.00053 0.00315 -0.00371 0.01084 -0.01018 48 4PX 0.00000 0.00001 -0.00005 -0.00048 0.00045 49 4PY 0.00000 -0.00003 0.00009 0.00037 -0.00045 50 4PZ 0.00000 0.00000 -0.00005 -0.00261 0.00255 51 5PX -0.00009 0.00060 -0.00127 0.00068 -0.00106 52 5PY 0.00019 -0.00098 0.00203 -0.00116 0.00030 53 5PZ -0.00003 0.00089 -0.00196 0.00205 -0.00356 54 6PX -0.00018 -0.00020 0.00038 0.00036 -0.00086 55 6PY 0.00027 0.00041 -0.00065 -0.00057 0.00007 56 6PZ -0.00005 0.00019 -0.00067 0.00191 -0.00259 57 7D 0 0.00000 0.00000 0.00000 -0.00003 -0.00003 58 7D+1 0.00000 -0.00001 0.00000 -0.00001 -0.00002 59 7D-1 0.00000 0.00001 0.00001 -0.00003 -0.00001 60 7D+2 0.00000 0.00001 -0.00001 0.00007 -0.00009 61 7D-2 0.00000 0.00001 -0.00001 0.00010 -0.00012 62 8D 0 0.00002 0.00002 -0.00005 0.00013 -0.00014 63 8D+1 0.00000 0.00008 -0.00016 0.00009 -0.00007 64 8D-1 0.00001 -0.00012 0.00023 -0.00008 0.00014 65 8D+2 0.00000 -0.00006 0.00014 -0.00004 0.00005 66 8D-2 0.00001 -0.00011 0.00025 -0.00009 0.00004 67 4 Cu 1S 0.00000 -0.00010 0.00013 0.00371 0.00013 68 2S 0.00000 -0.00018 0.00027 -0.00126 -0.00005 69 3S -0.00047 -0.00202 0.00291 -0.00690 -0.00029 70 4PX 0.00000 0.00000 0.00000 -0.00008 -0.00003 71 4PY 0.00000 0.00000 -0.00001 0.00014 -0.00001 72 4PZ 0.00000 0.00000 0.00000 -0.00001 -0.00004 73 5PX -0.00005 -0.00023 0.00027 -0.00095 -0.00049 74 5PY 0.00010 0.00045 -0.00052 0.00152 -0.00026 75 5PZ -0.00001 -0.00005 0.00006 -0.00003 -0.00088 76 6PX 0.00002 -0.00004 0.00004 -0.00093 0.00026 77 6PY -0.00007 0.00000 -0.00001 0.00188 0.00029 78 6PZ 0.00003 0.00002 -0.00003 -0.00025 0.00057 79 7D 0 0.00000 -0.00001 0.00002 0.00003 0.00002 80 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00005 81 7D-1 0.00000 0.00000 0.00000 0.00000 0.00006 82 7D+2 0.00000 -0.00001 0.00002 0.00002 -0.00005 83 7D-2 0.00000 -0.00001 0.00002 0.00005 0.00000 84 8D 0 0.00000 0.00006 -0.00012 -0.00004 -0.00008 85 8D+1 0.00000 -0.00001 0.00002 0.00001 0.00013 86 8D-1 0.00000 0.00002 -0.00003 0.00002 -0.00014 87 8D+2 0.00000 0.00006 -0.00011 -0.00004 0.00013 88 8D-2 0.00000 0.00008 -0.00017 -0.00009 0.00001 89 5 Cu 1S -0.00005 -0.00002 0.00069 0.00509 0.00385 90 2S -0.00006 -0.00012 -0.00052 -0.00057 -0.00054 91 3S 0.00040 -0.00326 -0.00290 -0.00528 -0.00039 92 4PX 0.00000 0.00000 0.00000 0.00002 0.00001 93 4PY 0.00000 -0.00001 0.00002 -0.00004 -0.00005 94 4PZ 0.00001 -0.00003 0.00008 0.00008 0.00012 95 5PX 0.00000 -0.00014 -0.00035 0.00042 -0.00011 96 5PY -0.00003 0.00037 0.00092 -0.00083 -0.00073 97 5PZ -0.00012 0.00065 0.00138 0.00103 -0.00018 98 6PX 0.00020 0.00046 -0.00060 0.00029 0.00020 99 6PY -0.00043 -0.00068 0.00130 -0.00015 0.00034 100 6PZ -0.00002 0.00083 0.00041 0.00130 0.00096 101 7D 0 0.00000 -0.00002 -0.00004 -0.00003 -0.00003 102 7D+1 0.00000 -0.00001 0.00002 -0.00002 0.00002 103 7D-1 0.00000 0.00002 -0.00006 0.00006 0.00005 104 7D+2 0.00000 -0.00001 0.00002 0.00000 0.00002 105 7D-2 0.00000 -0.00001 0.00002 -0.00001 -0.00001 106 8D 0 -0.00003 0.00015 -0.00003 0.00013 0.00010 107 8D+1 0.00000 0.00008 -0.00008 0.00007 -0.00009 108 8D-1 0.00001 -0.00012 0.00016 -0.00018 -0.00010 109 8D+2 -0.00002 0.00008 -0.00008 0.00002 -0.00007 110 8D-2 -0.00002 0.00009 -0.00009 0.00004 0.00004 111 6 Cu 1S 0.00035 0.00176 0.99848 -0.00328 -0.00012 112 2S 0.00044 0.00271 0.00308 -0.00239 -0.00009 113 3S 0.00048 0.00470 0.01792 -0.00272 -0.00013 114 4PX 0.00002 0.00004 0.00082 0.00004 -0.00001 115 4PY -0.00003 -0.00007 -0.00155 -0.00009 -0.00001 116 4PZ 0.00000 0.00001 0.00015 0.00001 -0.00003 117 5PX -0.00007 0.00400 -0.00735 0.00133 -0.00090 118 5PY 0.00021 -0.00783 0.01393 -0.00297 -0.00081 119 5PZ -0.00004 0.00093 -0.00147 0.00051 -0.00184 120 6PX -0.00069 -0.00101 0.00069 0.00029 -0.00027 121 6PY 0.00158 0.00191 -0.00192 -0.00069 -0.00023 122 6PZ -0.00026 -0.00021 0.00047 0.00013 -0.00053 123 7D 0 -0.00002 0.00001 -0.00070 -0.00001 0.00000 124 7D+1 0.00000 0.00000 0.00012 0.00000 0.00000 125 7D-1 -0.00001 0.00000 -0.00024 0.00000 0.00000 126 7D+2 -0.00002 0.00001 -0.00074 -0.00001 0.00000 127 7D-2 -0.00002 0.00002 -0.00100 -0.00002 0.00000 128 8D 0 0.00010 -0.00035 0.00034 0.00020 0.00008 129 8D+1 -0.00002 0.00006 -0.00006 -0.00005 0.00009 130 8D-1 0.00003 -0.00011 0.00012 0.00008 -0.00018 131 8D+2 0.00011 -0.00035 0.00035 0.00023 0.00012 132 8D-2 0.00015 -0.00051 0.00048 0.00030 -0.00006 133 7 Cu 1S -0.00005 -0.00001 0.00070 0.00529 -0.00323 134 2S -0.00006 -0.00010 -0.00053 -0.00060 0.00046 135 3S 0.00039 -0.00326 -0.00289 -0.00531 -0.00003 136 4PX -0.00001 0.00003 -0.00007 -0.00004 0.00006 137 4PY 0.00000 0.00001 -0.00003 -0.00009 0.00010 138 4PZ 0.00000 0.00002 -0.00004 -0.00002 0.00001 139 5PX 0.00010 -0.00068 -0.00155 -0.00029 -0.00026 140 5PY 0.00004 -0.00001 0.00007 -0.00136 0.00032 141 5PZ 0.00005 -0.00030 -0.00068 -0.00018 -0.00062 142 6PX 0.00026 -0.00018 -0.00104 -0.00085 0.00061 143 6PY -0.00038 -0.00112 0.00096 -0.00093 0.00022 144 6PZ 0.00008 -0.00027 -0.00039 -0.00061 0.00063 145 7D 0 0.00000 0.00000 0.00002 0.00002 -0.00003 146 7D+1 0.00000 0.00000 -0.00005 0.00001 -0.00001 147 7D-1 0.00000 -0.00002 0.00000 -0.00002 -0.00003 148 7D+2 0.00000 0.00001 -0.00005 0.00005 -0.00002 149 7D-2 0.00001 -0.00003 0.00001 -0.00006 0.00005 150 8D 0 -0.00001 0.00003 -0.00007 -0.00004 0.00010 151 8D+1 0.00000 -0.00002 0.00010 -0.00002 0.00001 152 8D-1 -0.00001 0.00010 -0.00006 0.00006 0.00011 153 8D+2 -0.00001 -0.00005 0.00011 -0.00012 0.00000 154 8D-2 -0.00003 0.00021 -0.00015 0.00020 -0.00013 155 8 Cu 1S -0.00006 0.00025 0.00022 0.43981 0.05925 156 2S -0.00010 0.00041 -0.00113 0.00214 0.00051 157 3S -0.00041 0.00283 -0.00383 0.00772 0.00094 158 4PX 0.00000 0.00002 -0.00008 -0.00158 -0.00025 159 4PY 0.00000 -0.00003 0.00008 -0.00017 -0.00005 160 4PZ 0.00000 0.00000 0.00001 0.00099 0.00004 161 5PX -0.00008 0.00105 -0.00251 0.00122 -0.00025 162 5PY 0.00017 -0.00070 0.00158 -0.00073 -0.00035 163 5PZ -0.00002 -0.00032 0.00081 -0.00037 -0.00098 164 6PX -0.00012 -0.00005 -0.00032 0.00110 -0.00033 165 6PY 0.00017 0.00032 -0.00060 -0.00019 -0.00035 166 6PZ 0.00000 -0.00010 0.00041 -0.00052 -0.00099 167 7D 0 0.00000 0.00001 -0.00001 0.00004 0.00006 168 7D+1 0.00000 0.00001 -0.00001 0.00006 -0.00003 169 7D-1 0.00000 0.00000 -0.00001 0.00005 0.00001 170 7D+2 0.00000 0.00000 -0.00001 0.00002 -0.00002 171 7D-2 0.00000 0.00001 -0.00001 0.00002 -0.00002 172 8D 0 0.00001 -0.00008 0.00020 -0.00005 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4PX 0.00518 -0.00127 0.00346 0.43639 0.28746 159 4PY -0.00306 0.00177 -0.00270 0.13078 0.06790 160 4PZ -0.00176 0.00108 -0.00035 -0.30611 -0.19289 161 5PX -0.00463 -0.00027 -0.00152 0.01343 0.01457 162 5PY 0.00394 -0.00131 0.00111 0.00038 0.00341 163 5PZ 0.00109 -0.00145 -0.00071 -0.00793 -0.00982 164 6PX -0.00242 0.00642 0.00077 -0.00290 0.00421 165 6PY 0.00036 0.00287 0.00376 0.00038 -0.01203 166 6PZ 0.00122 0.00897 0.00534 0.00154 0.00240 167 7D 0 0.00005 -0.00004 0.00003 0.00005 0.00006 168 7D+1 0.00006 0.00001 0.00010 0.00104 0.00070 169 7D-1 -0.00007 -0.00001 -0.00010 0.00019 0.00015 170 7D+2 -0.00009 0.00012 -0.00010 -0.00078 -0.00049 171 7D-2 0.00012 -0.00006 0.00010 -0.00034 -0.00021 172 8D 0 -0.00014 0.00024 0.00005 0.00007 -0.00017 173 8D+1 -0.00010 -0.00018 -0.00068 -0.00123 -0.00146 174 8D-1 0.00020 0.00026 0.00060 -0.00026 -0.00067 175 8D+2 0.00021 -0.00084 0.00052 0.00096 0.00067 176 8D-2 -0.00036 0.00016 -0.00024 0.00062 0.00063 177 9 C 1S 0.00160 -0.00001 0.00002 0.00004 0.00000 178 2S -0.00271 -0.00001 0.00004 0.00074 -0.00003 179 3S 0.00974 0.00000 -0.00009 -0.00613 0.00013 180 4PX 0.00335 0.00078 -0.00044 -0.00001 0.00011 181 4PY -0.00649 0.00052 -0.00022 0.00003 0.00005 182 4PZ 0.00075 0.00046 0.00094 0.00000 -0.00009 183 5PX 0.00250 -0.00428 0.00261 0.00252 -0.00137 184 5PY -0.00496 -0.00245 0.00071 -0.00476 -0.00068 185 5PZ 0.00057 -0.00242 -0.00489 0.00053 0.00109 186 10 O 1S 0.00007 0.00000 0.00000 0.00002 0.00000 187 2S 0.00140 0.00000 0.00000 0.00032 0.00003 188 3S -0.00916 0.00002 -0.00003 -0.00143 -0.00011 189 4PX 0.00053 -0.00029 0.00017 0.00007 -0.00008 190 4PY -0.00105 -0.00016 0.00004 -0.00012 -0.00004 191 4PZ 0.00012 -0.00016 -0.00032 0.00001 0.00006 192 5PX 0.00036 0.00143 -0.00086 -0.00042 0.00052 193 5PY -0.00095 0.00085 -0.00028 0.00071 0.00021 194 5PZ 0.00018 0.00081 0.00165 -0.00006 -0.00039 16 17 18 19 20 O O O O O EIGENVALUES -- -2.80810 -2.80714 -2.80696 -2.80692 -2.80660 1 1 Cu 1S -0.00045 -0.00021 -0.00195 -0.00138 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0.00109 -0.00048 0.00048 0.00100 0.00030 23 2 Cu 1S 0.00000 0.00002 -0.00003 0.00045 0.00136 24 2S 0.00000 0.00001 -0.00007 0.00118 0.00038 25 3S 0.00007 0.00008 -0.00080 0.01217 -0.00045 26 4PX -0.00604 -0.00907 -0.00438 -0.00480 0.02589 27 4PY -0.00419 -0.00656 -0.00359 0.00423 -0.00409 28 4PZ -0.01029 -0.01602 -0.00811 0.00039 -0.01282 29 5PX -0.00043 0.00063 0.00208 -0.00323 0.00139 30 5PY -0.00029 0.00048 0.00132 0.00046 -0.00074 31 5PZ -0.00069 0.00111 0.00310 0.00200 -0.00059 32 6PX -0.00455 -0.00255 -0.00138 -0.00280 -0.00200 33 6PY -0.00318 -0.00182 -0.00150 0.00570 0.00213 34 6PZ -0.00782 -0.00432 -0.00264 -0.00092 0.00072 35 7D 0 0.00015 0.00029 0.00008 0.00003 -0.00009 36 7D+1 -0.00012 -0.00024 -0.00010 0.00010 -0.00022 37 7D-1 0.00007 0.00013 0.00008 -0.00005 0.00006 38 7D+2 -0.00012 -0.00022 -0.00008 -0.00014 0.00024 39 7D-2 -0.00005 -0.00010 -0.00002 0.00005 -0.00012 40 8D 0 -0.00077 -0.00160 -0.00035 -0.00011 0.00057 41 8D+1 0.00061 0.00134 0.00063 -0.00079 0.00096 42 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3S 0.00000 0.00032 -0.00835 -0.05048 -0.02806 26 4PX 0.00798 -0.01485 0.27541 0.77412 0.22815 27 4PY 0.00511 0.00344 0.01326 0.03595 0.01052 28 4PZ 0.01260 0.00894 -0.16447 -0.46496 -0.13618 29 5PX -0.00118 -0.00158 0.00630 0.02458 0.00897 30 5PY -0.00088 0.00008 -0.00108 0.00189 0.00182 31 5PZ -0.00222 0.00060 -0.00486 -0.01412 -0.00715 32 6PX 0.00543 0.00337 -0.00227 0.00230 0.00316 33 6PY 0.00422 -0.00368 -0.00193 0.00057 0.00191 34 6PZ 0.00965 0.00083 0.00030 -0.00055 -0.00389 35 7D 0 -0.00015 0.00005 -0.00007 -0.00028 -0.00006 36 7D+1 0.00013 0.00016 -0.00075 -0.00211 -0.00065 37 7D-1 -0.00009 -0.00007 -0.00005 -0.00016 -0.00007 38 7D+2 0.00014 -0.00016 0.00060 0.00171 0.00050 39 7D-2 0.00004 0.00011 0.00006 0.00026 0.00009 40 8D 0 0.00050 -0.00038 -0.00016 0.00015 -0.00013 41 8D+1 -0.00057 -0.00078 0.00005 0.00011 0.00023 42 8D-1 0.00049 0.00043 -0.00001 0.00018 0.00016 43 8D+2 -0.00064 0.00075 0.00010 0.00000 0.00003 44 8D-2 -0.00005 -0.00080 0.00014 -0.00016 -0.00009 45 3 Cu 1S 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0.00038 -0.00005 -0.00003 68 2S -0.00149 0.00115 0.00067 -0.00009 -0.00005 69 3S -0.01136 0.00860 0.00531 -0.00079 -0.00046 70 4PX -0.00009 -0.00070 -0.00015 -0.00035 -0.00008 71 4PY -0.00073 0.00017 0.00017 -0.00013 0.00003 72 4PZ -0.00019 0.00002 -0.00045 0.00083 0.00087 73 5PX -0.00097 0.00288 0.00057 -0.00061 -0.00019 74 5PY 0.00416 -0.00202 -0.00164 0.00007 0.00023 75 5PZ 0.00021 -0.00012 0.00231 0.00091 0.00148 76 6PX 0.00154 0.00485 0.00098 0.00320 0.00070 77 6PY 0.00446 -0.00010 -0.00072 0.00122 -0.00027 78 6PZ 0.00168 -0.00022 0.00332 -0.00740 -0.00794 79 7D 0 -0.00001 0.00001 0.00002 0.00001 0.00002 80 7D+1 -0.00002 -0.00002 -0.00002 0.00000 -0.00001 81 7D-1 0.00000 -0.00002 0.00006 0.00003 0.00004 82 7D+2 -0.00004 -0.00002 0.00000 0.00000 -0.00001 83 7D-2 -0.00001 0.00003 -0.00001 -0.00002 -0.00002 84 8D 0 0.00005 -0.00007 -0.00012 -0.00006 -0.00010 85 8D+1 0.00011 0.00010 0.00013 -0.00001 0.00009 86 8D-1 -0.00003 0.00012 -0.00041 -0.00021 -0.00028 87 8D+2 0.00027 0.00017 -0.00001 -0.00003 0.00006 88 8D-2 0.00004 -0.00025 0.00006 0.00011 0.00010 89 5 Cu 1S 0.00050 -0.00029 0.00066 0.00036 0.00058 90 2S 0.00094 -0.00053 0.00123 0.00056 0.00094 91 3S 0.01199 -0.00915 0.00102 0.00522 0.00715 92 4PX 0.09995 -0.03832 -0.41586 0.23018 -0.34888 93 4PY -0.09206 0.27675 0.76858 -0.15299 -0.34660 94 4PZ -0.03804 0.06124 0.23212 -0.07681 0.00224 95 5PX 0.00311 -0.00071 -0.00884 0.00293 -0.00714 96 5PY -0.00397 0.00740 0.01550 -0.00313 -0.00606 97 5PZ -0.00494 0.00427 0.00447 -0.00301 -0.00219 98 6PX -0.00539 -0.00282 0.00377 -0.00282 0.00545 99 6PY 0.00188 -0.00590 -0.00648 -0.00424 -0.00171 100 6PZ -0.00082 0.00140 -0.00197 -0.00222 -0.00394 101 7D 0 -0.00020 0.00028 0.00102 -0.00034 0.00001 102 7D+1 0.00029 -0.00006 -0.00094 0.00053 -0.00091 103 7D-1 -0.00028 0.00074 0.00183 -0.00034 -0.00086 104 7D+2 0.00002 0.00009 0.00017 0.00000 -0.00028 105 7D-2 -0.00006 0.00016 0.00060 -0.00018 -0.00007 106 8D 0 0.00020 -0.00008 0.00006 -0.00001 0.00009 107 8D+1 -0.00028 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0.00002 127 7D-2 -0.00012 0.00022 -0.00012 0.00006 0.00003 128 8D 0 -0.00048 -0.00049 -0.00148 0.00056 0.00046 129 8D+1 0.00139 0.00162 0.00048 0.00021 0.00004 130 8D-1 0.00002 0.00113 -0.00212 0.00080 0.00038 131 8D+2 0.00165 0.00106 0.00042 -0.00008 -0.00015 132 8D-2 0.00035 -0.00124 0.00075 -0.00041 -0.00025 133 7 Cu 1S -0.00020 -0.00066 -0.00037 0.00004 -0.00021 134 2S -0.00038 -0.00126 -0.00069 0.00008 -0.00034 135 3S 0.00738 -0.01155 -0.00637 0.00088 -0.00220 136 4PX 0.68677 0.18763 -0.07419 -0.36964 -0.08479 137 4PY -0.65285 -0.11863 -0.09342 -0.12671 -0.00146 138 4PZ 0.20527 -0.06238 0.30234 0.83744 0.13636 139 5PX 0.01643 -0.00017 -0.00414 -0.00734 -0.00280 140 5PY -0.01288 -0.00260 -0.00214 -0.00254 -0.00099 141 5PZ 0.00536 -0.00347 0.00579 0.01743 0.00440 142 6PX -0.00461 -0.00181 0.00274 0.00192 -0.00315 143 6PY 0.00690 -0.00272 -0.00037 0.00076 0.00037 144 6PZ -0.00121 0.00282 -0.00655 -0.00414 0.00199 145 7D 0 -0.00034 0.00010 -0.00056 -0.00146 -0.00025 146 7D+1 -0.00099 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-0.01799 0.01369 0.00774 -0.03578 -0.00060 132 8D-2 -0.02517 -0.00619 -0.00351 -0.05259 -0.00556 133 7 Cu 1S 0.00050 0.00012 -0.00001 -0.00148 -0.00969 134 2S 0.00632 -0.00379 -0.00346 0.02053 0.11700 135 3S 0.06738 0.00341 0.00603 -0.00087 0.06231 136 4PX -0.00170 0.00081 0.00081 -0.00532 -0.01476 137 4PY -0.00007 -0.00048 -0.00073 -0.00135 -0.02033 138 4PZ -0.00079 0.00054 0.00012 -0.00258 -0.00964 139 5PX 0.01429 -0.00238 -0.00351 0.00882 0.01588 140 5PY 0.00572 -0.00022 -0.00095 -0.00722 0.02105 141 5PZ 0.00722 -0.00214 -0.00088 0.00273 0.01012 142 6PX 0.02317 0.00172 0.00732 -0.01201 0.01628 143 6PY -0.01192 -0.01401 -0.01463 0.01959 -0.00087 144 6PZ 0.00995 0.00736 -0.00446 -0.00254 0.00785 145 7D 0 -0.00111 0.00048 0.00098 -0.00472 -0.03129 146 7D+1 0.00198 -0.00135 -0.00008 0.00777 0.03706 147 7D-1 -0.00008 0.00154 0.00094 0.00245 0.05241 148 7D+2 0.00166 -0.00038 -0.00083 0.00429 -0.02355 149 7D-2 -0.00049 0.00205 0.00345 0.00304 0.08253 150 8D 0 -0.00041 0.00049 0.00080 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0.00137 0.00007 -0.00051 0.01003 0.08206 171 7D-2 -0.00204 -0.00055 -0.00010 -0.00953 0.02600 172 8D 0 -0.00018 -0.00019 0.00027 -0.00147 -0.00216 173 8D+1 -0.00075 0.00003 -0.00040 -0.00356 -0.03642 174 8D-1 -0.00040 0.00017 0.00040 0.00143 -0.00481 175 8D+2 0.00021 -0.00012 -0.00046 0.00385 0.02922 176 8D-2 0.00020 -0.00046 0.00008 -0.00257 0.00981 177 9 C 1S -0.16240 0.00498 -0.00002 -0.08899 0.03114 178 2S 0.38704 -0.00863 0.00003 0.16594 -0.07214 179 3S 0.28528 -0.01696 0.00012 0.26697 -0.07188 180 4PX 0.00957 0.33912 0.15961 -0.20001 0.04823 181 4PY -0.02335 0.10855 0.12275 0.45099 -0.09708 182 4PZ 0.00385 -0.19247 0.35047 -0.06679 0.01188 183 5PX -0.03307 0.05142 0.02525 -0.00406 0.01021 184 5PY 0.06635 0.02043 0.01936 0.01593 -0.01899 185 5PZ -0.00809 -0.03054 0.05535 -0.00380 0.00167 186 10 O 1S 0.12633 0.00227 -0.00001 -0.02960 -0.00204 187 2S -0.28578 -0.00408 0.00001 0.04867 0.01169 188 3S -0.37904 -0.01161 0.00006 0.16858 -0.01702 189 4PX -0.19483 0.49121 0.24708 0.21067 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-0.00192 -0.05605 0.03827 -0.16126 0.09215 15 7D-1 -0.17663 -0.11547 -0.01922 -0.08017 -0.05005 16 7D+2 0.05636 -0.08951 0.07054 -0.19861 0.02979 17 7D-2 0.09269 0.05607 0.11079 -0.10692 0.01325 18 8D 0 -0.02409 -0.02675 0.01399 0.01360 -0.01605 19 8D+1 -0.00154 -0.01764 0.01292 -0.05499 0.03138 20 8D-1 -0.06137 -0.03806 -0.00607 -0.02911 -0.01728 21 8D+2 0.01916 -0.03068 0.02382 -0.06466 0.00871 22 8D-2 0.02999 0.02140 0.03982 -0.03797 0.00436 23 2 Cu 1S 0.00298 0.00037 -0.00011 -0.00029 -0.00226 24 2S -0.09893 -0.01204 -0.01206 0.06885 -0.06896 25 3S -0.06075 -0.00767 -0.02191 0.08745 -0.19221 26 4PX -0.02098 -0.00410 0.00318 0.00942 -0.00753 27 4PY -0.00184 -0.00133 0.00203 0.00568 -0.01013 28 4PZ 0.01340 -0.00110 0.00936 -0.00647 0.00773 29 5PX 0.05713 0.00081 -0.00239 -0.03535 0.04332 30 5PY 0.00851 -0.00316 -0.00515 0.00497 0.02822 31 5PZ -0.03486 -0.01449 -0.01972 0.01591 -0.03522 32 6PX -0.03393 0.00318 0.02113 -0.01220 0.00805 33 6PY -0.02291 0.00231 0.01294 0.00936 0.00553 34 6PZ 0.02697 0.01513 0.03201 0.00881 -0.01015 35 7D 0 0.00560 0.03052 -0.12418 -0.00756 0.02696 36 7D+1 0.14554 -0.00357 0.04913 -0.03369 0.05913 37 7D-1 0.02345 0.01146 0.03935 -0.02736 0.09354 38 7D+2 -0.10621 -0.03112 0.02490 0.01356 0.04096 39 7D-2 -0.04056 -0.01648 0.05930 0.05136 -0.06324 40 8D 0 0.00204 0.00956 -0.04576 -0.00384 0.01083 41 8D+1 0.05469 -0.00081 0.01700 -0.01162 0.02087 42 8D-1 0.00725 0.00467 0.01569 -0.00846 0.03254 43 8D+2 -0.04158 -0.01159 0.00803 0.00479 0.01489 44 8D-2 -0.01469 -0.00507 0.02291 0.01595 -0.02023 45 3 Cu 1S 0.00005 -0.00032 0.00260 -0.00008 0.00147 46 2S -0.03911 -0.08479 0.03792 0.00233 0.02399 47 3S -0.08775 -0.21040 0.12734 -0.18121 0.13515 48 4PX 0.01918 -0.00060 -0.00402 -0.00661 0.00363 49 4PY 0.00432 -0.01404 0.00304 0.01706 -0.00206 50 4PZ 0.00300 0.01061 -0.00223 0.01154 -0.00571 51 5PX -0.00415 -0.02455 0.02114 -0.00768 0.01549 52 5PY 0.01388 0.02554 -0.03580 0.00552 -0.02265 53 5PZ -0.03468 -0.07897 0.02293 -0.04817 0.03045 54 6PX 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5PY 0.00331 -0.00101 -0.00728 0.00561 0.00231 75 5PZ -0.00272 -0.00447 -0.01554 -0.00625 -0.00858 76 6PX 0.00160 -0.00122 0.00169 0.02721 -0.02118 77 6PY 0.00084 -0.00089 0.01200 -0.05678 0.01914 78 6PZ -0.00099 -0.00278 0.01001 0.00931 0.00359 79 7D 0 0.00050 -0.00673 -0.00639 0.06518 -0.02961 80 7D+1 -0.00682 0.01251 -0.01680 -0.01128 0.00539 81 7D-1 -0.01472 -0.01564 0.02154 0.02853 0.01326 82 7D+2 -0.01216 0.01306 -0.02931 0.06882 -0.00578 83 7D-2 0.01341 0.00141 -0.00896 0.08892 -0.06072 84 8D 0 -0.00019 -0.00381 -0.00216 0.02448 -0.01101 85 8D+1 -0.00391 0.00419 -0.00619 -0.00412 0.00231 86 8D-1 -0.00532 -0.00450 0.00775 0.01061 0.00485 87 8D+2 -0.00313 0.00444 -0.01082 0.02571 -0.00254 88 8D-2 0.00417 0.00142 -0.00356 0.03338 -0.02254 89 5 Cu 1S -0.00111 -0.00274 0.00183 0.00116 0.00079 90 2S 0.03626 0.08810 0.02480 0.09727 -0.01742 91 3S 0.02086 0.05251 0.10898 0.18592 0.00455 92 4PX 0.00415 0.00277 0.00246 -0.00366 -0.00799 93 4PY -0.00003 -0.00394 0.00627 0.00468 -0.00331 94 4PZ 0.00887 0.02196 0.00433 0.01811 -0.00252 95 5PX 0.00650 -0.01391 -0.00244 -0.00291 0.01969 96 5PY 0.00835 0.00429 -0.02089 0.00380 -0.00336 97 5PZ -0.02637 -0.05984 -0.03132 -0.06621 0.00130 98 6PX -0.01172 0.00551 0.02019 -0.01474 -0.02673 99 6PY -0.00278 0.01065 0.00293 0.00178 -0.02050 100 6PZ 0.02109 0.04398 -0.00597 -0.01513 0.00425 101 7D 0 0.06430 0.16581 0.02057 0.09685 0.00421 102 7D+1 0.04731 0.02690 0.04138 -0.05997 -0.11693 103 7D-1 0.00707 -0.03217 0.08966 0.06444 -0.04616 104 7D+2 0.01476 -0.00078 -0.03938 -0.01589 0.00877 105 7D-2 -0.00506 0.00232 -0.01769 -0.02693 -0.03789 106 8D 0 0.02470 0.06257 0.00690 0.03276 0.00202 107 8D+1 0.01641 0.01175 0.01563 -0.02060 -0.04316 108 8D-1 0.00103 -0.01336 0.03189 0.02043 -0.01621 109 8D+2 0.00626 0.00015 -0.01533 -0.00599 0.00498 110 8D-2 -0.00215 0.00169 -0.00607 -0.01174 -0.01450 111 6 Cu 1S 0.00002 0.00003 0.00049 -0.00353 0.00144 112 2S -0.00173 -0.00045 -0.02373 0.17194 -0.06796 113 3S 0.00234 0.00055 -0.01753 0.11671 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0.00244 -0.00191 0.00073 0.00103 134 2S 0.05573 -0.07837 -0.04706 0.08886 -0.01273 135 3S 0.03258 -0.04744 -0.14497 0.15707 0.02131 136 4PX -0.00773 0.01289 0.00751 -0.01618 -0.00218 137 4PY -0.00967 0.01416 -0.00049 -0.00520 0.00146 138 4PZ -0.00763 0.00568 0.00888 -0.00390 0.00781 139 5PX 0.02929 -0.03147 -0.03739 0.04057 0.01536 140 5PY 0.02765 -0.03512 -0.01137 0.03828 -0.00863 141 5PZ 0.00560 -0.02766 -0.02930 0.01585 -0.01044 142 6PX -0.02936 0.02827 -0.01659 -0.00010 -0.00944 143 6PY -0.01344 0.01416 -0.00333 0.01396 -0.00962 144 6PZ -0.00205 0.02465 0.01529 0.01902 0.02855 145 7D 0 -0.01066 0.05191 -0.01336 -0.06594 -0.09112 146 7D+1 0.05777 -0.05620 -0.11844 0.03816 -0.06022 147 7D-1 0.07006 -0.04796 -0.01799 -0.00191 -0.03788 148 7D+2 -0.00042 -0.00621 -0.04106 0.09008 0.04522 149 7D-2 0.06936 -0.12199 0.03145 0.03778 0.00554 150 8D 0 -0.00503 0.01825 -0.00488 -0.02503 -0.03343 151 8D+1 0.02009 -0.02126 -0.04291 0.01192 -0.02266 152 8D-1 0.02647 -0.01882 -0.00577 -0.00009 -0.01252 153 8D+2 -0.00044 -0.00079 -0.01264 0.02953 0.01767 154 8D-2 0.02737 -0.04662 0.01180 0.01215 0.00189 155 8 Cu 1S 0.00056 0.00010 0.00004 -0.00192 -0.00241 156 2S 0.08576 0.00934 0.00101 -0.02423 -0.03570 157 3S 0.22962 0.02767 0.02685 -0.25296 -0.03045 158 4PX -0.01198 -0.01096 -0.00215 0.00390 0.00298 159 4PY 0.00976 -0.00558 -0.00396 0.01490 -0.01409 160 4PZ 0.00584 -0.01595 -0.00188 -0.00901 0.00433 161 5PX 0.08161 0.00628 0.00616 -0.06155 -0.01216 162 5PY -0.00963 -0.00362 -0.00023 0.01762 0.03071 163 5PZ -0.04254 -0.01069 -0.00413 0.02857 -0.00543 164 6PX 0.01574 -0.02867 -0.00089 -0.01109 0.00089 165 6PY 0.06098 -0.01411 -0.00585 0.03045 -0.00715 166 6PZ -0.02469 -0.05553 -0.00318 -0.00731 0.00272 167 7D 0 -0.01217 -0.13663 -0.00199 0.00386 0.06181 168 7D+1 -0.00501 0.13872 0.02262 0.15748 -0.08450 169 7D-1 0.07063 -0.09463 -0.08044 0.14052 -0.05572 170 7D+2 0.01334 0.13842 0.05398 0.00446 0.05432 171 7D-2 -0.09671 0.02200 0.01289 -0.14566 0.16810 172 8D 0 -0.00450 -0.04649 -0.00121 0.00268 0.02137 173 8D+1 -0.00478 0.04696 0.00785 0.05524 -0.03003 174 8D-1 0.02366 -0.03245 -0.02752 0.04684 -0.01798 175 8D+2 0.00686 0.04754 0.01912 -0.00003 0.02074 176 8D-2 -0.03238 0.00745 0.00417 -0.04696 0.05729 177 9 C 1S -0.00090 -0.00032 0.00119 -0.00889 0.00318 178 2S 0.00226 0.00075 -0.00101 0.00813 -0.00236 179 3S 0.00226 0.00093 -0.01524 0.11042 -0.04319 180 4PX 0.02460 -0.01263 0.00818 -0.01557 -0.00505 181 4PY 0.01379 -0.00849 0.00137 0.02421 -0.01280 182 4PZ -0.01536 -0.02798 0.01241 0.00153 0.00715 183 5PX 0.02368 -0.01140 0.00923 -0.01674 -0.00543 184 5PY 0.01108 -0.00874 0.00149 0.02522 -0.01632 185 5PZ -0.01403 -0.02599 0.01400 0.00152 0.00886 186 10 O 1S 0.00007 0.00004 -0.00029 0.00217 -0.00079 187 2S -0.00034 -0.00015 0.00080 -0.00588 0.00215 188 3S 0.00061 0.00002 0.00172 -0.01285 0.00455 189 4PX -0.07568 0.03575 -0.01888 0.02280 0.01838 190 4PY -0.03334 0.02699 -0.00834 -0.02613 0.02006 191 4PZ 0.04421 0.08142 -0.03132 -0.00865 -0.01624 192 5PX -0.04569 0.02146 -0.01086 0.01356 0.01053 193 5PY -0.01974 0.01650 -0.00462 -0.01605 0.01222 194 5PZ 0.02655 0.04906 -0.01803 -0.00471 -0.00967 46 47 48 49 50 O O O O O EIGENVALUES -- -0.32136 -0.30924 -0.30751 -0.30749 -0.29897 1 1 Cu 1S -0.00061 0.00011 -0.00132 0.00146 -0.00192 2 2S 0.03248 -0.06677 -0.06169 0.06586 -0.02902 3 3S -0.01144 0.00500 -0.18198 0.19269 -0.05860 4 4PX 0.01070 -0.00400 -0.01200 -0.00034 -0.00382 5 4PY -0.01169 0.00294 -0.00583 0.00179 0.00083 6 4PZ 0.00262 -0.00139 0.01162 0.01664 0.00224 7 5PX -0.00159 0.01799 0.06079 -0.03779 0.00671 8 5PY -0.01568 0.00923 0.03144 -0.02461 0.00218 9 5PZ -0.00268 0.00945 -0.00517 -0.05488 0.01261 10 6PX 0.02623 0.03339 -0.02230 -0.00829 -0.02226 11 6PY -0.05073 -0.02200 0.02751 -0.04019 -0.01641 12 6PZ 0.00372 0.01098 0.03845 0.03040 0.06904 13 7D 0 -0.02516 -0.27674 0.13478 0.34831 -0.06569 14 7D+1 0.13553 0.21960 0.26034 0.12745 -0.20562 15 7D-1 -0.10117 0.12673 0.15234 0.09796 0.34045 16 7D+2 0.27320 -0.12165 -0.17762 -0.00391 0.07389 17 7D-2 -0.15169 0.04775 -0.16133 -0.04874 0.01285 18 8D 0 -0.00956 -0.09348 0.04573 0.11613 -0.02343 19 8D+1 0.04608 0.07555 0.08702 0.04405 -0.06881 20 8D-1 -0.03412 0.04244 0.04857 0.03230 0.11421 21 8D+2 0.09129 -0.03853 -0.05977 -0.00199 0.02442 22 8D-2 -0.05226 0.01597 -0.05485 -0.01419 0.00478 23 2 Cu 1S 0.00289 -0.00325 -0.00074 -0.00252 0.00211 24 2S 0.02076 -0.04923 0.01165 0.03566 0.03606 25 3S 0.06372 -0.15193 -0.01286 -0.04571 0.12056 26 4PX -0.00259 -0.00832 0.00575 0.00720 0.00689 27 4PY 0.00431 0.01235 0.00060 -0.00557 -0.00224 28 4PZ -0.00034 -0.00012 0.00455 -0.00443 -0.00135 29 5PX -0.00548 0.04545 -0.01213 -0.00043 -0.03179 30 5PY -0.02365 -0.02166 -0.01119 -0.01055 0.00159 31 5PZ 0.01293 -0.01788 -0.01571 0.01306 0.01319 32 6PX -0.03191 0.00485 0.02121 0.03065 -0.00420 33 6PY 0.02425 0.04218 0.01112 0.00949 0.03161 34 6PZ 0.00846 -0.01968 0.01120 -0.03022 -0.01097 35 7D 0 0.01611 0.05764 -0.04987 -0.07932 -0.00290 36 7D+1 0.06837 -0.02323 0.02798 -0.09857 -0.00664 37 7D-1 -0.02969 -0.11288 -0.04113 0.07431 0.11517 38 7D+2 -0.08487 -0.04929 0.08266 0.06304 0.17550 39 7D-2 0.02923 0.18719 -0.05829 -0.15976 -0.05524 40 8D 0 0.00731 0.02056 -0.01693 -0.02911 -0.00016 41 8D+1 0.02562 -0.00683 0.00885 -0.03735 -0.00360 42 8D-1 -0.00965 -0.03768 -0.01589 0.02315 0.03841 43 8D+2 -0.02964 -0.01653 0.02881 0.02126 0.06079 44 8D-2 0.01194 0.06438 -0.02055 -0.05442 -0.01658 45 3 Cu 1S -0.00063 0.00013 0.00192 0.00045 -0.00099 46 2S 0.03127 -0.06534 0.08912 0.01904 -0.01480 47 3S -0.01394 0.00847 0.25799 0.05660 -0.03104 48 4PX 0.00756 -0.00189 0.00367 -0.01902 -0.00434 49 4PY -0.01409 0.00440 0.00147 -0.01019 -0.00087 50 4PZ -0.00267 0.00179 -0.01056 -0.00025 0.00116 51 5PX 0.00600 -0.00066 -0.00605 0.03980 -0.00873 52 5PY -0.00986 -0.00361 0.00604 0.02320 -0.00657 53 5PZ 0.00991 -0.02081 0.08585 0.01474 -0.00508 54 6PX 0.02749 0.01792 0.03285 -0.04096 -0.07819 55 6PY -0.04999 -0.03447 -0.03161 -0.03316 -0.04744 56 6PZ 0.00593 -0.01739 0.01932 0.00908 0.00646 57 7D 0 -0.00111 0.23204 -0.00506 -0.08049 0.03425 58 7D+1 -0.16168 0.10116 -0.15241 0.42247 -0.01533 59 7D-1 0.30835 -0.06849 0.00204 0.23806 -0.02052 60 7D+2 -0.06794 -0.15670 0.12119 0.00899 0.41460 61 7D-2 -0.04274 -0.24906 0.16919 0.10053 -0.24748 62 8D 0 -0.00089 0.07946 0.00082 -0.02627 0.01199 63 8D+1 -0.05428 0.03305 -0.05011 0.14129 -0.00587 64 8D-1 0.10377 -0.02065 0.00004 0.07914 -0.00758 65 8D+2 -0.02381 -0.05308 0.04110 0.00099 0.13872 66 8D-2 -0.01585 -0.08397 0.05629 0.03495 -0.08344 67 4 Cu 1S 0.00026 0.00233 0.00002 0.00008 0.00004 68 2S 0.11590 -0.03671 0.00093 0.00057 0.00110 69 3S 0.14764 0.08152 0.00152 0.00383 0.00305 70 4PX -0.01188 0.00270 0.00123 -0.00477 0.00988 71 4PY 0.02243 -0.00487 0.00134 -0.00229 0.00501 72 4PZ -0.00233 0.00049 0.00524 0.00168 -0.00505 73 5PX 0.03963 0.00184 0.00387 -0.01259 -0.02627 74 5PY -0.07418 -0.00325 0.00270 -0.00750 -0.01392 75 5PZ 0.00743 0.00042 0.01468 0.00484 0.01355 76 6PX -0.01522 -0.00151 -0.00640 0.02285 0.05152 77 6PY 0.02874 0.00228 -0.00619 0.01125 0.02484 78 6PZ -0.00297 -0.00053 -0.02595 -0.00800 -0.02598 79 7D 0 -0.08581 -0.00056 -0.06130 -0.00688 0.01981 80 7D+1 0.01236 0.00049 -0.04167 -0.05527 0.06898 81 7D-1 -0.02438 0.00031 0.07706 0.00363 -0.06407 82 7D+2 -0.08434 -0.00142 -0.01479 0.08114 -0.16726 83 7D-2 -0.12476 -0.00001 0.03303 -0.05578 0.11472 84 8D 0 -0.03251 -0.00070 -0.02202 -0.00240 0.00748 85 8D+1 0.00464 0.00027 -0.01401 -0.02001 0.02736 86 8D-1 -0.00918 -0.00004 0.02604 0.00054 -0.02098 87 8D+2 -0.03187 -0.00099 -0.00462 0.02762 -0.05950 88 8D-2 -0.04728 -0.00074 0.01180 -0.01897 0.04046 89 5 Cu 1S 0.00253 -0.00319 0.00262 0.00058 -0.00068 90 2S 0.02312 -0.04911 -0.03569 -0.00827 -0.01178 91 3S 0.05455 -0.15105 0.05098 0.01003 -0.03954 92 4PX -0.00182 -0.00694 -0.00284 -0.00693 0.00549 93 4PY 0.00416 0.01276 0.00736 -0.00144 0.00470 94 4PZ -0.00016 -0.00306 -0.00676 -0.00092 -0.00247 95 5PX 0.00741 0.01947 -0.00874 0.01910 -0.01431 96 5PY -0.01799 -0.03009 0.00738 0.01254 -0.01233 97 5PZ -0.01677 0.03897 0.00963 0.00040 0.01205 98 6PX -0.01638 -0.01601 0.00175 -0.02095 0.00297 99 6PY 0.02927 0.03628 -0.00028 -0.00988 -0.01033 100 6PZ -0.02064 0.02613 -0.04552 -0.00799 -0.00405 101 7D 0 -0.06889 0.09087 -0.02917 0.00150 -0.03701 102 7D+1 -0.04424 -0.08662 -0.09802 -0.06428 0.10374 103 7D-1 0.07082 0.18479 0.17851 0.01223 0.14007 104 7D+2 -0.00398 0.02022 0.06457 -0.06532 0.07288 105 7D-2 0.00846 0.05926 0.09091 0.07134 -0.06390 106 8D 0 -0.02481 0.03032 -0.01322 -0.00031 -0.01343 107 8D+1 -0.01621 -0.02975 -0.03397 -0.02151 0.03531 108 8D-1 0.02541 0.06289 0.05997 0.00405 0.04730 109 8D+2 0.00007 0.00778 0.02424 -0.02308 0.02480 110 8D-2 0.00530 0.02150 0.03353 0.02594 -0.02227 111 6 Cu 1S -0.00026 0.00148 -0.00003 -0.00004 -0.00002 112 2S 0.04021 0.08105 0.00069 0.00252 0.00068 113 3S -0.23204 0.31877 -0.00204 0.00235 -0.00001 114 4PX -0.01581 0.00583 0.00053 -0.00285 0.00030 115 4PY 0.03068 -0.01072 0.00096 -0.00098 0.00026 116 4PZ -0.00359 0.00104 0.00287 0.00094 -0.00014 117 5PX 0.08930 -0.07767 0.00983 -0.03233 -0.01189 118 5PY -0.17108 0.14650 0.00631 -0.01712 -0.00565 119 5PZ 0.01883 -0.01465 0.03629 0.01185 0.00580 120 6PX 0.01698 0.01331 -0.00028 -0.00395 0.02537 121 6PY -0.03510 -0.02814 0.00016 -0.00241 0.01276 122 6PZ 0.00483 0.00391 0.00169 0.00225 -0.01266 123 7D 0 0.19239 0.05452 0.05383 -0.00870 0.01765 124 7D+1 -0.04956 -0.00897 -0.14078 0.06811 0.15598 125 7D-1 0.05030 0.01402 0.23364 0.13489 0.16407 126 7D+2 0.20712 0.04822 -0.11296 0.21188 0.09784 127 7D-2 0.29531 0.07922 -0.01743 -0.14827 -0.09335 128 8D 0 0.06479 0.01727 0.01585 -0.00289 0.00525 129 8D+1 -0.01618 -0.00289 -0.04574 0.02063 0.04668 130 8D-1 0.01698 0.00452 0.07614 0.04319 0.04997 131 8D+2 0.06932 0.01533 -0.03630 0.06933 0.03061 132 8D-2 0.09914 0.02509 -0.00486 -0.04848 -0.02887 133 7 Cu 1S 0.00261 -0.00327 -0.00175 0.00193 -0.00137 134 2S 0.02242 -0.04835 0.02595 -0.02749 -0.02333 135 3S 0.05596 -0.15216 -0.03286 0.03515 -0.07827 136 4PX -0.00211 -0.00556 -0.00254 -0.00143 0.00335 137 4PY 0.00407 0.01357 -0.00780 0.00718 0.00530 138 4PZ -0.00081 -0.00055 0.00327 0.00554 -0.00418 139 5PX 0.02281 -0.00960 0.01599 -0.00351 -0.01707 140 5PY -0.00738 -0.05075 0.00025 0.00435 -0.02005 141 5PZ 0.00965 -0.01168 -0.01151 -0.01833 0.00665 142 6PX -0.00185 -0.04125 -0.03044 0.01816 0.01647 143 6PY 0.03950 0.01866 -0.01809 0.01650 -0.01338 144 6PZ 0.00366 -0.01600 0.00282 0.02754 0.00704 145 7D 0 0.03180 0.03500 -0.08103 0.06774 0.04863 146 7D+1 -0.00906 0.08522 0.01012 0.01123 0.07776 147 7D-1 -0.04864 -0.02138 -0.01948 -0.11541 0.07483 148 7D+2 0.05601 0.20673 -0.15085 0.13746 0.08845 149 7D-2 -0.07567 0.02582 0.04976 0.00477 -0.14748 150 8D 0 0.01333 0.01315 -0.02935 0.02595 0.01624 151 8D+1 -0.00448 0.02807 0.00652 0.00187 0.02562 152 8D-1 -0.01764 -0.00757 -0.00657 -0.04094 0.02518 153 8D+2 0.02095 0.07077 -0.05169 0.04618 0.02900 154 8D-2 -0.02590 0.00913 0.01748 0.00154 -0.05154 155 8 Cu 1S -0.00052 0.00019 -0.00056 -0.00183 0.00290 156 2S 0.03790 -0.06503 -0.02658 -0.08764 0.04437 157 3S -0.00044 0.01030 -0.07972 -0.25391 0.08420 158 4PX 0.00359 -0.00042 0.01246 0.00471 -0.00046 159 4PY -0.01455 0.00484 0.00795 0.00090 -0.00434 160 4PZ 0.00373 -0.00147 0.01537 -0.01111 0.00101 161 5PX 0.01674 -0.01483 -0.04002 -0.05554 0.00979 162 5PY -0.00877 -0.00859 -0.02404 -0.02576 0.00821 163 5PZ -0.00600 0.01161 -0.02077 0.05950 -0.01158 164 6PX 0.02812 0.00257 0.01510 -0.03972 -0.01073 165 6PY -0.04968 -0.03803 0.02778 0.02596 0.00835 166 6PZ 0.00375 0.01474 0.04476 -0.00752 -0.01906 167 7D 0 0.00003 -0.18061 0.35561 -0.25445 -0.01157 168 7D+1 0.02381 -0.29198 -0.18734 -0.04560 0.10060 169 7D-1 -0.21642 -0.11887 -0.06301 -0.03965 -0.16681 170 7D+2 -0.22510 0.05640 -0.12708 -0.00252 -0.13469 171 7D-2 0.16152 -0.13477 -0.24711 -0.08565 -0.02144 172 8D 0 -0.00100 -0.06070 0.11917 -0.08504 -0.00279 173 8D+1 0.00770 -0.09910 -0.06097 -0.01359 0.03499 174 8D-1 -0.07341 -0.04193 -0.02266 -0.01269 -0.05559 175 8D+2 -0.07661 0.01806 -0.04178 -0.00300 -0.04564 176 8D-2 0.05324 -0.04352 -0.08333 -0.02883 -0.00638 177 9 C 1S -0.02359 0.00149 -0.00025 -0.00044 -0.00011 178 2S 0.05576 -0.00975 0.00069 0.00117 0.00010 179 3S 0.04611 0.03683 -0.00010 0.00031 0.00108 180 4PX -0.03530 0.00254 -0.00501 0.01800 0.01189 181 4PY 0.07222 -0.00609 -0.00401 0.00978 0.00552 182 4PZ -0.00904 0.00093 -0.02005 -0.00678 -0.00602 183 5PX 0.00420 -0.01826 -0.00720 0.02741 0.00410 184 5PY -0.00795 0.03488 -0.00734 0.01385 0.00197 185 5PZ 0.00109 -0.00427 -0.03040 -0.00991 -0.00216 186 10 O 1S 0.00393 -0.00023 0.00004 0.00006 0.00002 187 2S -0.01345 -0.00117 -0.00018 -0.00035 0.00000 188 3S -0.00742 0.00832 0.00010 0.00079 -0.00019 189 4PX 0.02653 0.00107 0.01003 -0.03878 -0.02024 190 4PY -0.05415 0.00015 0.00952 -0.01844 -0.00891 191 4PZ 0.00644 -0.00039 0.04205 0.01393 0.01014 192 5PX 0.00634 0.00198 0.00715 -0.02804 -0.01130 193 5PY -0.01283 -0.00247 0.00721 -0.01279 -0.00514 194 5PZ 0.00132 0.00018 0.03032 0.00988 0.00571 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29892 -0.29362 -0.29056 -0.28583 -0.28574 1 1 Cu 1S 0.00223 0.00165 0.00002 0.00019 -0.00016 2 2S 0.03442 -0.02994 0.00105 0.04783 -0.03544 3 3S 0.06713 0.15112 0.00085 -0.00022 -0.00049 4 4PX 0.00162 -0.00212 0.00437 -0.00365 0.00583 5 4PY -0.00198 0.00190 0.00151 0.00731 -0.00453 6 4PZ 0.00371 -0.00064 -0.00976 -0.00447 -0.00332 7 5PX -0.01467 -0.01959 -0.01698 0.01631 -0.00567 8 5PY -0.00473 -0.01010 -0.00575 -0.01843 0.01609 9 5PZ 0.00043 -0.01103 0.03746 -0.00435 -0.01152 10 6PX -0.03421 -0.02937 0.01684 -0.04320 0.02277 11 6PY -0.00189 0.01586 0.00536 0.03842 -0.03258 12 6PZ 0.05505 -0.00961 -0.03714 -0.00032 0.02311 13 7D 0 -0.09795 0.13423 0.07703 0.30725 -0.01457 14 7D+1 -0.12164 -0.00141 0.16782 -0.17032 0.34311 15 7D-1 0.18276 0.11947 -0.28747 -0.13155 0.11095 16 7D+2 0.18063 0.09099 -0.12582 -0.11386 -0.03269 17 7D-2 -0.21854 0.36036 0.09337 -0.19439 0.08968 18 8D 0 -0.03233 0.04348 0.02529 0.09937 -0.00446 19 8D+1 -0.04180 -0.00074 0.05482 -0.05522 0.11077 20 8D-1 0.06049 0.03952 -0.09344 -0.04147 0.03671 21 8D+2 0.06139 0.02838 -0.04106 -0.03704 -0.01009 22 8D-2 -0.07324 0.11808 0.03028 -0.06280 0.02822 23 2 Cu 1S 0.00040 0.00004 -0.00001 0.00013 0.00097 24 2S 0.00680 -0.00488 0.00020 -0.01073 -0.08383 25 3S 0.02261 -0.00659 0.00022 -0.01418 -0.11259 26 4PX -0.00243 -0.00190 0.00379 -0.00401 -0.00948 27 4PY -0.00301 0.00073 0.00264 -0.00163 0.00287 28 4PZ -0.00664 0.00077 0.00646 -0.00414 0.00523 29 5PX 0.00397 0.00504 -0.00648 0.00473 0.03823 30 5PY 0.00732 -0.00635 -0.00444 -0.00128 -0.01006 31 5PZ 0.01956 -0.00039 -0.01095 -0.00247 -0.01807 32 6PX 0.00038 0.00873 0.00608 0.00876 -0.00623 33 6PY 0.00695 -0.00962 0.00437 0.01030 0.03049 34 6PZ 0.00022 -0.00128 0.01053 0.01499 -0.01210 35 7D 0 0.11627 -0.06681 -0.19377 0.16871 -0.01842 36 7D+1 -0.10830 0.00112 0.16287 -0.18610 -0.01921 37 7D-1 0.09233 -0.06403 -0.09535 0.12881 -0.10416 38 7D+2 -0.07012 -0.10139 0.15283 -0.18355 -0.01697 39 7D-2 -0.04460 -0.06226 0.06408 -0.02891 0.08639 40 8D 0 0.03962 -0.02316 -0.06603 0.05569 -0.00552 41 8D+1 -0.03717 0.00055 0.05475 -0.06197 -0.00699 42 8D-1 0.03146 -0.02141 -0.03142 0.04313 -0.03508 43 8D+2 -0.02376 -0.03454 0.05121 -0.06109 -0.00511 44 8D-2 -0.01467 -0.02221 0.02215 -0.00913 0.03003 45 3 Cu 1S -0.00278 0.00165 -0.00002 -0.00023 -0.00012 46 2S -0.04251 -0.03059 -0.00080 -0.05536 -0.02314 47 3S -0.08521 0.15132 -0.00096 -0.00069 -0.00112 48 4PX -0.00020 -0.00125 -0.00948 0.00264 0.00671 49 4PY 0.00404 0.00247 -0.00508 -0.00981 -0.00120 50 4PZ 0.00197 0.00085 0.00099 -0.00051 -0.00079 51 5PX 0.00399 0.00071 0.03637 -0.01735 0.00525 52 5PY -0.00320 0.00418 0.01937 0.02153 0.01566 53 5PZ -0.01701 0.02415 -0.00393 0.00070 -0.00115 54 6PX 0.03478 -0.01399 -0.03644 0.03619 -0.00470 55 6PY 0.00372 0.02733 -0.01914 -0.05287 -0.03273 56 6PZ -0.00753 0.01751 0.00370 -0.01406 -0.00393 57 7D 0 0.09273 0.27944 0.00481 0.43960 0.14523 58 7D+1 0.09349 0.04605 -0.02456 -0.02119 0.22182 59 7D-1 -0.14431 -0.04955 0.02339 0.01949 0.11689 60 7D+2 -0.07386 0.17642 0.30980 -0.07309 -0.12173 61 7D-2 0.16662 0.24659 -0.21119 -0.17938 0.01369 62 8D 0 0.03195 0.09134 0.00162 0.14183 0.04669 63 8D+1 0.03226 0.01579 -0.00832 -0.00741 0.07209 64 8D-1 -0.04877 -0.01749 0.00745 0.00666 0.03840 65 8D+2 -0.02542 0.05759 0.10084 -0.02412 -0.03835 66 8D-2 0.05478 0.08021 -0.06877 -0.05772 0.00382 67 4 Cu 1S 0.00002 -0.00277 0.00000 0.00000 0.00000 68 2S 0.00040 -0.11790 0.00004 0.00019 0.00075 69 3S 0.00113 -0.30548 0.00009 0.00057 0.00104 70 4PX -0.00404 0.00787 -0.00008 -0.00038 0.00076 71 4PY -0.00319 -0.01435 -0.00005 -0.00027 0.00046 72 4PZ -0.01106 0.00122 -0.00009 -0.00097 -0.00054 73 5PX 0.01091 -0.04392 0.00024 0.00403 -0.00819 74 5PY 0.00837 0.08067 0.00012 0.00291 -0.00430 75 5PZ 0.02952 -0.00730 0.00023 0.00942 0.00504 76 6PX -0.02046 -0.01537 -0.00008 -0.00936 0.01969 77 6PY -0.01661 0.03037 -0.00007 -0.00717 0.00926 78 6PZ -0.05648 -0.00352 -0.00013 -0.02155 -0.01137 79 7D 0 0.07039 0.01194 -0.00047 -0.05144 -0.01321 80 7D+1 0.09163 -0.00196 0.00194 -0.00245 -0.05127 81 7D-1 -0.17023 -0.00025 -0.00107 0.02593 -0.01208 82 7D+2 0.07277 0.01168 0.00180 -0.00132 0.03292 83 7D-2 -0.05645 0.02128 -0.00050 0.03070 -0.01534 84 8D 0 0.02782 0.00367 -0.00016 -0.01824 -0.00465 85 8D+1 0.03175 -0.00064 0.00066 -0.00049 -0.01819 86 8D-1 -0.06014 -0.00019 -0.00036 0.00863 -0.00467 87 8D+2 0.02480 0.00360 0.00061 -0.00007 0.01111 88 8D-2 -0.02141 0.00670 -0.00017 0.01077 -0.00500 89 5 Cu 1S -0.00198 -0.00009 -0.00003 -0.00093 -0.00039 90 2S -0.03376 -0.00270 0.00060 0.07796 0.03321 91 3S -0.11347 -0.00877 0.00003 0.10353 0.04423 92 4PX -0.00477 -0.00077 -0.00713 0.00127 0.00605 93 4PY 0.00260 0.00139 -0.00379 -0.00543 0.00058 94 4PZ -0.00495 -0.00138 0.00081 0.00907 0.00331 95 5PX 0.01421 0.00387 0.01204 -0.01263 -0.00498 96 5PY -0.00657 -0.00645 0.00638 0.01691 0.00735 97 5PZ 0.02899 0.00262 -0.00136 -0.03415 -0.01467 98 6PX 0.01448 0.00622 -0.01171 0.01995 -0.01103 99 6PY -0.02778 -0.01150 -0.00630 -0.02232 -0.01979 100 6PZ -0.01108 0.00539 0.00131 -0.01004 -0.00220 101 7D 0 -0.02570 -0.04942 0.04352 -0.04485 -0.06201 102 7D+1 -0.13361 -0.01787 -0.24011 -0.04393 0.21742 103 7D-1 0.13831 0.05068 -0.14321 -0.15060 0.08250 104 7D+2 -0.08813 -0.07898 -0.14012 -0.05529 0.18318 105 7D-2 -0.03617 -0.10623 0.06598 0.04865 -0.08940 106 8D 0 -0.01108 -0.01743 0.01478 -0.01615 -0.02104 107 8D+1 -0.04522 -0.00572 -0.08156 -0.01420 0.07196 108 8D-1 0.04610 0.01641 -0.04850 -0.05066 0.02698 109 8D+2 -0.03069 -0.02714 -0.04644 -0.01894 0.06112 110 8D-2 -0.01332 -0.03665 0.02163 0.01563 -0.03031 111 6 Cu 1S -0.00001 -0.00216 0.00000 0.00001 0.00003 112 2S 0.00046 0.02472 -0.00001 -0.00031 -0.00073 113 3S 0.00002 -0.10987 0.00003 0.00063 0.00019 114 4PX -0.00026 -0.01033 -0.00011 -0.00334 0.00722 115 4PY -0.00014 0.02064 -0.00008 -0.00271 0.00321 116 4PZ -0.00055 -0.00272 -0.00014 -0.00807 -0.00426 117 5PX 0.00478 0.05027 0.00027 0.00067 -0.00168 118 5PY 0.00385 -0.09874 0.00022 0.00122 -0.00030 119 5PZ 0.01282 0.01216 0.00034 0.00270 0.00115 120 6PX -0.01182 0.01978 0.00008 -0.01700 0.03574 121 6PY -0.00933 -0.03505 0.00005 -0.01272 0.01781 122 6PZ -0.03172 0.00262 -0.00016 -0.03900 -0.02101 123 7D 0 0.15395 0.17078 0.00027 0.09243 0.02374 124 7D+1 -0.11188 -0.02143 0.00095 0.01114 0.09636 125 7D-1 0.12642 0.04623 -0.00184 -0.05974 0.01310 126 7D+2 -0.11801 0.16281 0.00129 0.00600 -0.06635 127 7D-2 -0.06087 0.24636 -0.00077 -0.05612 0.03282 128 8D 0 0.04599 0.05286 0.00007 0.02708 0.00702 129 8D+1 -0.03429 -0.00670 0.00033 0.00442 0.02827 130 8D-1 0.03920 0.01433 -0.00058 -0.01931 0.00258 131 8D+2 -0.03603 0.05050 0.00042 0.00287 -0.02107 132 8D-2 -0.01799 0.07632 -0.00024 -0.01676 0.01084 133 7 Cu 1S 0.00162 -0.00006 0.00004 0.00079 -0.00058 134 2S 0.02754 -0.00331 -0.00080 -0.06742 0.05080 135 3S 0.09231 -0.00886 -0.00024 -0.09003 0.06838 136 4PX 0.00088 0.00031 0.00335 0.00459 -0.00046 137 4PY -0.00463 0.00209 0.00115 0.00845 -0.00546 138 4PZ -0.00579 0.00030 -0.00725 -0.00054 -0.00614 139 5PX 0.00702 0.00211 -0.00568 -0.01219 0.00941 140 5PY 0.01962 -0.00781 -0.00199 -0.03095 0.02352 141 5PZ 0.02086 -0.00041 0.01227 -0.01028 0.00746 142 6PX -0.02065 0.00296 0.00545 -0.02464 0.00865 143 6PY 0.01641 -0.01376 0.00183 0.01515 -0.01501 144 6PZ -0.00520 -0.00043 -0.01189 0.00445 0.01936 145 7D 0 0.07933 -0.07312 0.15218 0.06041 0.11423 146 7D+1 -0.03528 0.05094 0.07502 0.08464 -0.01896 147 7D-1 0.15264 -0.02931 0.23914 0.16079 0.22622 148 7D+2 -0.10711 -0.00567 -0.01383 0.09073 -0.05666 149 7D-2 0.04541 -0.11948 -0.13077 -0.08359 -0.11082 150 8D 0 0.02723 -0.02523 0.05191 0.02010 0.03745 151 8D+1 -0.01130 0.01697 0.02605 0.02830 -0.00700 152 8D-1 0.05255 -0.00998 0.08012 0.05379 0.07520 153 8D+2 -0.03502 -0.00299 -0.00515 0.03127 -0.01931 154 8D-2 0.01696 -0.04105 -0.04402 -0.02691 -0.03750 155 8 Cu 1S 0.00054 0.00166 0.00000 0.00003 0.00023 156 2S 0.00842 -0.02812 -0.00022 0.00772 0.05998 157 3S 0.01576 0.15297 -0.00005 0.00019 0.00036 158 4PX 0.00208 -0.00066 0.00506 -0.00329 -0.00345 159 4PY 0.00070 0.00291 0.00354 -0.00076 0.01006 160 4PZ 0.00391 -0.00079 0.00870 -0.00503 -0.00124 161 5PX 0.00715 0.01813 -0.01970 -0.00442 0.01246 162 5PY 0.00537 0.00941 -0.01382 -0.00741 -0.02616 163 5PZ 0.00688 -0.01472 -0.03389 -0.00983 0.00528 164 6PX 0.04497 0.00086 0.01950 0.00739 -0.01813 165 6PY 0.03436 0.03297 0.01370 0.01444 0.06519 166 6PZ 0.07708 -0.01391 0.03353 0.01420 -0.01957 167 7D 0 -0.12228 0.14728 -0.07819 0.22468 0.09249 168 7D+1 -0.17325 -0.12012 -0.14512 0.01207 0.42349 169 7D-1 0.32568 0.07786 0.25968 -0.06503 0.22613 170 7D+2 -0.27228 0.27368 -0.18136 -0.02437 -0.12489 171 7D-2 0.15767 0.21002 0.11375 -0.13819 -0.06431 172 8D 0 -0.04172 0.04772 -0.02575 0.07297 0.02979 173 8D+1 -0.05745 -0.03964 -0.04714 0.00307 0.13667 174 8D-1 0.10931 0.02611 0.08460 -0.02012 0.07330 175 8D+2 -0.09107 0.09017 -0.05897 -0.00866 -0.03971 176 8D-2 0.05348 0.06752 0.03720 -0.04463 -0.02105 177 9 C 1S -0.00006 -0.01942 0.00001 0.00009 0.00023 178 2S 0.00007 0.04006 -0.00001 -0.00018 -0.00046 179 3S 0.00046 0.06879 -0.00002 -0.00029 -0.00096 180 4PX -0.00438 -0.02608 0.00016 0.00413 -0.00822 181 4PY -0.00351 0.05237 0.00009 0.00298 -0.00420 182 4PZ -0.01226 -0.00593 0.00024 0.00980 0.00510 183 5PX -0.00108 -0.00251 0.00002 0.00246 -0.00498 184 5PY -0.00094 0.00400 0.00002 0.00188 -0.00262 185 5PZ -0.00328 0.00007 0.00009 0.00575 0.00301 186 10 O 1S 0.00001 0.00397 0.00000 -0.00002 -0.00003 187 2S -0.00002 -0.01201 0.00000 0.00005 0.00010 188 3S -0.00013 -0.01392 0.00000 0.00005 -0.00005 189 4PX 0.00720 0.02128 -0.00028 -0.00736 0.01504 190 4PY 0.00592 -0.04151 -0.00017 -0.00560 0.00673 191 4PZ 0.02039 0.00393 -0.00042 -0.01756 -0.00893 192 5PX 0.00397 0.00664 -0.00015 -0.00433 0.00888 193 5PY 0.00323 -0.01230 -0.00010 -0.00337 0.00386 194 5PZ 0.01122 0.00075 -0.00023 -0.01033 -0.00521 56 57 58 59 60 O O O O O EIGENVALUES -- -0.28481 -0.28474 -0.27424 -0.27422 -0.26738 1 1 Cu 1S 0.00062 0.00090 0.00035 -0.00090 0.00000 2 2S 0.03373 0.04558 0.00315 -0.00694 -0.00015 3 3S 0.04093 0.05803 0.03225 -0.07872 -0.00049 4 4PX 0.00430 0.00274 -0.00231 -0.00343 -0.00523 5 4PY 0.00149 0.00106 -0.00075 -0.00111 -0.00170 6 4PZ -0.00170 0.00430 0.00765 0.00171 0.01157 7 5PX -0.01376 -0.02884 0.00537 0.02835 0.03136 8 5PY -0.00128 -0.00433 0.00359 0.00268 0.01017 9 5PZ -0.01879 -0.00508 -0.03572 -0.00179 -0.06932 10 6PX 0.06298 0.03394 -0.04389 0.05490 0.02651 11 6PY -0.02899 -0.05698 0.01157 -0.04973 0.00862 12 6PZ -0.04358 0.05616 0.03539 0.03853 -0.05863 13 7D 0 -0.16385 -0.18641 -0.10513 0.09459 -0.17670 14 7D+1 0.13120 0.10409 -0.11119 0.08540 -0.12469 15 7D-1 -0.22369 0.02837 0.08032 -0.11012 -0.15832 16 7D+2 -0.03470 0.03465 -0.13120 0.45685 0.05251 17 7D-2 -0.16747 -0.36995 0.02740 -0.07564 0.10281 18 8D 0 -0.05406 -0.06270 -0.03456 0.03135 -0.05767 19 8D+1 0.04359 0.03458 -0.03606 0.02734 -0.04087 20 8D-1 -0.07152 0.00932 0.02606 -0.03596 -0.05119 21 8D+2 -0.01240 0.00991 -0.04280 0.14883 0.01729 22 8D-2 -0.05499 -0.12018 0.00887 -0.02426 0.03336 23 2 Cu 1S 0.00101 -0.00230 0.00097 0.00122 0.00001 24 2S -0.02100 0.04781 0.00493 0.00633 -0.00015 25 3S 0.00107 -0.00238 0.06081 0.07647 -0.00005 26 4PX -0.00319 0.00446 0.00149 0.00115 -0.00178 27 4PY -0.00265 0.00388 -0.00244 -0.00351 -0.00124 28 4PZ 0.00025 -0.00543 0.00103 0.00003 -0.00303 29 5PX 0.00351 -0.00764 -0.02049 -0.00688 -0.00120 30 5PY 0.00182 -0.00347 -0.01714 -0.00816 -0.00096 31 5PZ -0.00239 0.00602 -0.00489 0.02644 -0.00215 32 6PX -0.02254 -0.00859 -0.00281 -0.02738 -0.00669 33 6PY -0.03564 0.03780 0.02196 0.01068 -0.00476 34 6PZ -0.02953 -0.03596 0.02271 -0.01257 -0.01155 35 7D 0 0.04662 0.08493 0.21219 -0.07136 -0.20068 36 7D+1 0.04174 -0.01507 0.07775 0.17457 -0.08711 37 7D-1 -0.09635 -0.02575 0.06583 0.20622 0.26377 38 7D+2 0.01767 0.09020 0.02521 0.05637 -0.13823 39 7D-2 -0.09639 0.05445 -0.14429 0.01690 0.17139 40 8D 0 0.01609 0.03038 0.07027 -0.02218 -0.06743 41 8D+1 0.01400 -0.00540 0.02752 0.05925 -0.02903 42 8D-1 -0.03315 -0.00830 0.02201 0.06862 0.08828 43 8D+2 0.00523 0.03194 0.00797 0.01757 -0.04617 44 8D-2 -0.03387 0.01989 -0.04685 0.00608 0.05750 45 3 Cu 1S -0.00110 0.00013 -0.00095 0.00015 0.00001 46 2S -0.05557 0.00518 -0.00735 0.00150 0.00010 47 3S -0.07083 0.00760 -0.08353 0.01423 0.00070 48 4PX -0.00065 -0.00379 -0.00129 -0.00737 0.01128 49 4PY 0.00135 -0.00218 0.00016 -0.00407 0.00588 50 4PZ 0.00538 -0.00010 0.00266 0.00028 -0.00117 51 5PX 0.00324 -0.01286 0.00944 0.03197 -0.06756 52 5PY -0.01574 -0.00450 -0.01021 0.01882 -0.03535 53 5PZ -0.03123 0.00445 -0.02337 0.00055 0.00708 54 6PX -0.04698 -0.06175 0.02775 -0.05036 -0.05717 55 6PY 0.07656 -0.04336 -0.07600 -0.01302 -0.03000 56 6PZ 0.02254 0.00445 -0.03082 0.00959 0.00600 57 7D 0 0.15889 -0.02823 0.03559 0.00478 -0.04493 58 7D+1 0.08614 0.06103 -0.24859 -0.02766 0.24980 59 7D-1 -0.17386 0.07653 0.43663 -0.09488 0.13391 60 7D+2 0.27537 0.14728 0.04520 0.05880 0.05027 61 7D-2 0.33751 -0.14205 0.12304 -0.07415 -0.00480 62 8D 0 0.05085 -0.00893 0.01145 0.00162 -0.01463 63 8D+1 0.02692 0.01897 -0.08099 -0.00911 0.08143 64 8D-1 -0.05549 0.02424 0.14200 -0.03098 0.04360 65 8D+2 0.09081 0.04724 0.01517 0.01898 0.01594 66 8D-2 0.11196 -0.04615 0.04076 -0.02423 -0.00127 67 4 Cu 1S 0.00001 0.00000 -0.00001 0.00000 0.00000 68 2S 0.00107 -0.00125 0.00047 0.00052 0.00000 69 3S 0.00220 -0.00197 0.00065 0.00088 -0.00001 70 4PX -0.00142 -0.00919 0.00003 0.00067 -0.00001 71 4PY -0.00162 -0.00494 0.00001 0.00043 0.00000 72 4PZ -0.01041 0.00206 -0.00081 0.00007 0.00003 73 5PX 0.00301 0.01768 -0.00066 -0.00667 -0.00001 74 5PY 0.00278 0.00988 0.00013 -0.00399 0.00000 75 5PZ 0.02019 -0.00396 0.00781 -0.00046 -0.00001 76 6PX 0.00393 0.02640 0.00377 0.03427 -0.00003 77 6PY 0.00470 0.01373 -0.00160 0.01874 -0.00001 78 6PZ 0.02976 -0.00589 -0.03898 0.00246 0.00005 79 7D 0 -0.11148 -0.02030 -0.04263 0.00842 0.00045 80 7D+1 0.13908 0.15461 -0.07546 -0.00575 -0.00002 81 7D-1 -0.27647 0.14758 0.12458 -0.01229 0.00060 82 7D+2 0.11271 0.23618 0.00864 0.12499 -0.00020 83 7D-2 0.06463 -0.15327 -0.00692 -0.08611 -0.00033 84 8D 0 -0.03927 -0.00693 -0.01518 0.00320 0.00016 85 8D+1 0.04619 0.05369 -0.02489 -0.00327 -0.00001 86 8D-1 -0.09221 0.05028 0.04005 -0.00468 0.00020 87 8D+2 0.03822 0.07840 0.00329 0.04053 -0.00007 88 8D-2 0.02258 -0.05077 -0.00160 -0.02823 -0.00011 89 5 Cu 1S -0.00256 0.00027 -0.00158 0.00023 0.00000 90 2S 0.05104 -0.00481 -0.00908 0.00107 -0.00007 91 3S -0.00471 0.00188 -0.09930 0.01388 0.00026 92 4PX -0.00074 -0.00205 -0.00226 -0.00049 0.00327 93 4PY 0.00249 -0.00134 0.00400 -0.00109 0.00172 94 4PZ 0.00819 -0.00059 0.00001 0.00006 -0.00033 95 5PX -0.00036 0.00038 0.00121 0.02199 0.00242 96 5PY -0.00149 0.00036 0.01136 0.00998 0.00138 97 5PZ -0.01060 0.00072 0.02863 -0.00629 -0.00029 98 6PX -0.02408 -0.04271 0.01038 -0.02932 0.01235 99 6PY 0.03975 -0.02793 -0.02677 -0.01073 0.00658 100 6PZ 0.02659 0.00156 0.01544 0.00057 -0.00137 101 7D 0 0.08815 -0.00090 0.18878 -0.06484 0.02422 102 7D+1 -0.00223 -0.06071 0.00375 0.21677 -0.15814 103 7D-1 0.00011 -0.01635 0.16463 0.07674 -0.04563 104 7D+2 0.07428 0.10515 -0.10831 -0.05411 0.29849 105 7D-2 0.08097 -0.09401 -0.11070 0.09518 -0.21983 106 8D 0 0.03125 -0.00031 0.06448 -0.02158 0.00815 107 8D+1 -0.00088 -0.02149 0.00212 0.07062 -0.05322 108 8D-1 0.00001 -0.00602 0.05341 0.02501 -0.01543 109 8D+2 0.02659 0.03570 -0.03666 -0.01793 0.09990 110 8D-2 0.02946 -0.03235 -0.03804 0.03173 -0.07360 111 6 Cu 1S 0.00005 -0.00008 0.00004 0.00005 0.00000 112 2S -0.00134 0.00162 -0.00163 -0.00124 0.00000 113 3S 0.00143 -0.00124 0.00019 0.00014 0.00003 114 4PX -0.00266 -0.01942 0.00253 0.02150 0.00008 115 4PY -0.00401 -0.00951 -0.00135 0.01146 0.00005 116 4PZ -0.02139 0.00411 -0.02423 0.00157 0.00002 117 5PX 0.01121 0.07780 -0.01384 -0.12154 -0.00034 118 5PY 0.01528 0.03992 0.00601 -0.06623 -0.00018 119 5PZ 0.08695 -0.01685 0.13759 -0.00846 -0.00006 120 6PX 0.00698 0.04939 0.00112 0.01274 0.00002 121 6PY 0.00991 0.02483 -0.00011 0.00751 0.00002 122 6PZ 0.05521 -0.01061 -0.01505 0.00095 0.00009 123 7D 0 0.08470 -0.00207 0.05108 -0.00748 -0.00041 124 7D+1 0.11707 -0.05971 0.11535 -0.00583 -0.00001 125 7D-1 -0.19817 0.02049 -0.19898 0.01356 0.00078 126 7D+2 0.03158 0.20071 -0.00766 -0.19594 -0.00041 127 7D-2 -0.03555 -0.13684 0.01637 0.13022 0.00040 128 8D 0 0.02327 -0.00076 0.01523 -0.00221 -0.00012 129 8D+1 0.03630 -0.01521 0.03559 -0.00265 -0.00001 130 8D-1 -0.06214 0.00817 -0.06220 0.00380 0.00024 131 8D+2 0.01084 0.06231 -0.00215 -0.06101 -0.00013 132 8D-2 -0.00964 -0.04224 0.00535 0.04037 0.00012 133 7 Cu 1S 0.00149 0.00210 0.00056 -0.00150 -0.00001 134 2S -0.03075 -0.04213 0.00278 -0.00839 0.00020 135 3S 0.00108 0.00391 0.03435 -0.09398 -0.00026 136 4PX 0.00521 0.00547 0.00060 -0.00247 -0.00152 137 4PY 0.00156 0.00173 -0.00153 0.00357 -0.00049 138 4PZ 0.00050 0.00431 0.00103 -0.00021 0.00334 139 5PX -0.00548 -0.00673 0.01878 -0.02148 -0.00112 140 5PY -0.00310 -0.00404 0.00555 -0.00592 -0.00037 141 5PZ -0.00260 -0.00399 -0.01647 -0.02051 0.00239 142 6PX 0.04275 0.02380 -0.01340 -0.00068 -0.00574 143 6PY -0.00933 -0.02388 0.00740 -0.03149 -0.00190 144 6PZ -0.02784 0.04050 0.02736 0.00747 0.01249 145 7D 0 0.02177 -0.08390 0.21800 -0.07543 0.17601 146 7D+1 0.07481 -0.05287 0.07403 0.26453 0.24678 147 7D-1 -0.08629 0.02096 0.01091 0.04482 -0.21574 148 7D+2 -0.07929 -0.00415 -0.12978 0.08480 -0.16008 149 7D-2 -0.04739 -0.10366 -0.04337 -0.01069 0.04837 150 8D 0 0.00719 -0.02999 0.07215 -0.02687 0.05910 151 8D+1 0.02611 -0.01805 0.02352 0.08863 0.08275 152 8D-1 -0.02934 0.00661 0.00263 0.01574 -0.07205 153 8D+2 -0.02773 -0.00205 -0.04234 0.02708 -0.05365 154 8D-2 -0.01752 -0.03676 -0.01432 -0.00242 0.01609 155 8 Cu 1S 0.00042 -0.00098 0.00059 0.00073 0.00000 156 2S 0.02336 -0.05237 0.00507 0.00619 0.00003 157 3S 0.02861 -0.06563 0.05405 0.06672 -0.00018 158 4PX -0.00346 0.00251 0.00194 -0.00391 -0.00606 159 4PY -0.00260 0.00198 0.00132 -0.00284 -0.00419 160 4PZ -0.00195 -0.00458 0.00637 -0.00303 -0.01041 161 5PX 0.00195 -0.01982 -0.00526 0.02106 0.03631 162 5PY 0.00498 -0.02174 0.00142 0.02150 0.02528 163 5PZ -0.01790 0.01392 -0.03267 0.00726 0.06259 164 6PX -0.02471 -0.03253 0.01404 -0.02156 0.03069 165 6PY -0.05943 0.06995 0.06438 0.05251 0.02143 166 6PZ -0.04604 -0.04774 0.01492 -0.04871 0.05297 167 7D 0 -0.12041 0.18643 -0.14400 -0.06384 0.22201 168 7D+1 0.10647 0.04246 -0.05768 -0.05862 -0.12446 169 7D-1 -0.22777 0.15712 0.19531 0.14462 0.02128 170 7D+2 -0.02800 0.37827 0.11930 0.18511 -0.10319 171 7D-2 -0.09582 0.14883 -0.20194 -0.33418 -0.09732 172 8D 0 -0.03911 0.06248 -0.04728 -0.02108 0.07246 173 8D+1 0.03332 0.01513 -0.01897 -0.01946 -0.04036 174 8D-1 -0.07392 0.05166 0.06329 0.04678 0.00657 175 8D+2 -0.00956 0.12253 0.03873 0.05999 -0.03337 176 8D-2 -0.03220 0.05005 -0.06595 -0.10910 -0.03189 177 9 C 1S 0.00041 -0.00051 0.00028 0.00026 0.00000 178 2S -0.00064 0.00076 -0.00044 -0.00044 0.00000 179 3S -0.00302 0.00416 -0.00249 -0.00221 0.00000 180 4PX 0.00461 0.02894 -0.00346 -0.03124 -0.00009 181 4PY 0.00503 0.01517 0.00179 -0.01661 -0.00005 182 4PZ 0.03265 -0.00626 0.03534 -0.00241 -0.00009 183 5PX -0.00034 -0.00296 0.00013 -0.00227 -0.00001 184 5PY -0.00096 -0.00102 -0.00015 -0.00157 -0.00001 185 5PZ -0.00329 0.00045 0.00297 -0.00039 -0.00005 186 10 O 1S -0.00008 0.00008 -0.00006 -0.00004 0.00000 187 2S 0.00017 -0.00010 0.00014 0.00007 0.00000 188 3S 0.00059 -0.00086 0.00032 0.00030 0.00000 189 4PX -0.00695 -0.04752 0.00560 0.04795 0.00014 190 4PY -0.00905 -0.02312 -0.00334 0.02454 0.00008 191 4PZ -0.05261 0.00999 -0.05373 0.00374 0.00013 192 5PX -0.00329 -0.02260 0.00289 0.02529 0.00007 193 5PY -0.00421 -0.01122 -0.00176 0.01301 0.00004 194 5PZ -0.02500 0.00484 -0.02841 0.00202 0.00007 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26520 -0.26518 -0.26387 -0.26252 -0.26249 1 1 Cu 1S 0.00115 0.00048 0.00063 -0.00129 -0.00188 2 2S 0.00221 0.00102 0.02455 -0.00389 -0.00608 3 3S 0.04367 0.01797 0.00978 -0.05539 -0.07912 4 4PX -0.01375 0.00184 -0.01228 -0.00251 -0.00878 5 4PY 0.00699 0.00538 0.00513 0.00771 0.00959 6 4PZ 0.00219 -0.01603 -0.00476 -0.00651 0.00192 7 5PX 0.06360 -0.00719 0.05416 0.01702 0.05008 8 5PY -0.04177 -0.02822 -0.03265 -0.02866 -0.03377 9 5PZ -0.01010 0.07090 0.01955 0.03599 -0.00471 10 6PX 0.01798 0.00032 0.02406 0.02302 0.04097 11 6PY -0.02292 -0.01230 -0.02148 -0.01341 -0.01736 12 6PZ -0.00275 0.01543 0.00831 0.01846 0.00950 13 7D 0 0.00194 0.06611 0.03601 0.07201 0.08218 14 7D+1 0.04598 0.06158 -0.01484 0.06040 0.02485 15 7D-1 -0.00657 0.06688 0.02987 -0.07093 0.01355 16 7D+2 0.12764 0.03747 0.00392 0.12727 0.23321 17 7D-2 0.10052 -0.00075 0.08855 0.06246 0.04803 18 8D 0 0.00045 0.01972 0.01002 0.02342 0.02493 19 8D+1 0.01530 0.01831 -0.00358 0.02017 0.00818 20 8D-1 -0.00200 0.02229 0.00948 -0.02141 0.00339 21 8D+2 0.03928 0.01237 0.00112 0.04055 0.07461 22 8D-2 0.03228 -0.00023 0.02708 0.01883 0.01526 23 2 Cu 1S 0.00012 0.00087 -0.00118 0.00125 -0.00262 24 2S -0.00257 -0.01802 0.04147 -0.02055 0.04280 25 3S 0.00376 0.02931 0.01707 0.03577 -0.07636 26 4PX -0.00095 -0.00182 0.00480 -0.00185 0.00485 27 4PY -0.00058 -0.00076 -0.00025 0.00006 0.00059 28 4PZ -0.00097 0.00159 -0.00270 0.00207 -0.00259 29 5PX -0.01351 -0.00763 -0.01214 -0.01061 0.00658 30 5PY -0.00595 0.02258 -0.00449 -0.01044 0.01081 31 5PZ -0.02175 -0.00063 0.00871 -0.00570 -0.01591 32 6PX -0.00210 0.00451 -0.00960 -0.01002 -0.02018 33 6PY -0.00093 0.00841 -0.00255 -0.01604 0.00495 34 6PZ -0.00548 -0.00511 0.00656 -0.02908 -0.01003 35 7D 0 0.14312 0.27677 0.24671 0.35546 0.14514 36 7D+1 -0.15717 0.04242 0.29238 0.00279 0.07922 37 7D-1 0.14951 -0.02422 0.21824 -0.27618 -0.17076 38 7D+2 -0.14577 0.16563 0.07026 0.15408 -0.05477 39 7D-2 0.05389 0.47511 0.15453 -0.24024 -0.14006 40 8D 0 0.04592 0.09137 0.08077 0.11579 0.04703 41 8D+1 -0.05189 0.01327 0.09596 0.00058 0.02732 42 8D-1 0.05009 -0.00858 0.07200 -0.09092 -0.05461 43 8D+2 -0.04825 0.05484 0.02329 0.05068 -0.01799 44 8D-2 0.01869 0.15703 0.05012 -0.07757 -0.04726 45 3 Cu 1S -0.00099 0.00075 0.00063 0.00228 -0.00019 46 2S -0.00195 0.00160 0.02457 0.00686 -0.00098 47 3S -0.03742 0.02828 0.00980 0.09710 -0.00728 48 4PX 0.01415 0.00841 -0.00457 0.00646 -0.00672 49 4PY -0.00530 0.01417 0.01030 -0.01369 -0.00212 50 4PZ -0.00575 0.00247 0.00820 -0.00068 0.00064 51 5PX -0.06718 -0.03410 0.02447 -0.02638 0.03310 52 5PY 0.03124 -0.06868 -0.05244 0.06054 0.01123 53 5PZ 0.02207 -0.00832 -0.03017 0.02072 -0.00451 54 6PX -0.02082 -0.00293 0.01352 -0.01769 0.01054 55 6PY 0.01699 -0.02305 -0.02829 0.04227 0.00104 56 6PZ 0.00098 0.00117 -0.00952 0.03025 -0.00323 57 7D 0 -0.11155 0.06534 0.05385 -0.10114 0.00664 58 7D+1 0.08069 0.04905 0.01943 0.10527 -0.00703 59 7D-1 -0.04379 0.09593 -0.03320 -0.20342 0.02763 60 7D+2 -0.01156 0.04271 0.04555 -0.06952 0.07703 61 7D-2 -0.05811 0.03401 0.05952 -0.15045 -0.03436 62 8D 0 -0.03566 0.02116 0.01727 -0.03235 0.00243 63 8D+1 0.02448 0.01505 0.00613 0.03358 -0.00391 64 8D-1 -0.01345 0.02963 -0.01003 -0.06551 0.00789 65 8D+2 -0.00255 0.01459 0.01330 -0.02155 0.02370 66 8D-2 -0.01867 0.00956 0.01725 -0.04702 -0.01069 67 4 Cu 1S -0.00002 0.00001 0.00313 -0.00001 0.00000 68 2S 0.00032 0.00004 -0.03389 0.00020 -0.00036 69 3S -0.00072 0.00072 0.12602 -0.00022 -0.00086 70 4PX 0.00251 0.00304 0.00222 0.00046 0.00375 71 4PY 0.00171 0.00134 -0.00408 0.00068 0.00190 72 4PZ 0.00330 -0.00302 0.00043 0.00418 -0.00072 73 5PX 0.00842 0.01020 0.01562 0.00023 0.00188 74 5PY 0.00578 0.00435 -0.02897 0.00036 0.00118 75 5PZ 0.01106 -0.01008 0.00282 0.00218 -0.00041 76 6PX 0.00897 0.01079 0.00346 0.00177 0.01560 77 6PY 0.00597 0.00468 -0.00660 0.00272 0.00814 78 6PZ 0.01160 -0.01061 0.00083 0.01736 -0.00320 79 7D 0 0.00321 0.00686 0.07184 0.11849 0.01671 80 7D+1 -0.08816 0.02553 -0.01029 -0.06419 -0.14418 81 7D-1 0.11143 -0.12991 0.02002 0.14902 -0.10485 82 7D+2 -0.11927 -0.10315 0.06814 -0.07552 -0.11672 83 7D-2 0.04770 0.09040 0.10497 -0.06410 0.06984 84 8D 0 0.00253 0.00141 0.02371 0.03926 0.00558 85 8D+1 -0.02890 0.00662 -0.00338 -0.02186 -0.04797 86 8D-1 0.03515 -0.04221 0.00660 0.05049 -0.03508 87 8D+2 -0.03835 -0.03242 0.02247 -0.02533 -0.03969 88 8D-2 0.01439 0.02904 0.03461 -0.02130 0.02382 89 5 Cu 1S 0.00067 -0.00051 -0.00121 -0.00291 0.00024 90 2S -0.01473 0.01142 0.04142 0.04736 -0.00420 91 3S 0.02181 -0.01671 0.01680 -0.08290 0.00679 92 4PX -0.00087 -0.00094 0.00129 0.00108 0.00067 93 4PY -0.00060 -0.00038 -0.00141 -0.00076 0.00049 94 4PZ -0.00196 0.00167 0.00517 0.00597 -0.00061 95 5PX -0.02283 -0.01163 -0.00129 -0.00424 -0.01245 96 5PY 0.00939 -0.02245 -0.00096 0.00884 -0.00762 97 5PZ 0.00226 0.00122 -0.01539 0.01835 -0.00016 98 6PX -0.00505 -0.00230 -0.00110 -0.01056 -0.03230 99 6PY 0.00371 -0.00539 -0.00059 0.01141 -0.01894 100 6PZ 0.00745 -0.00522 -0.01194 -0.00977 0.00426 101 7D 0 0.19468 -0.11361 -0.19205 -0.10370 0.06826 102 7D+1 -0.18736 -0.04800 -0.06399 -0.07363 -0.34211 103 7D-1 0.10447 -0.20933 -0.03063 0.04880 -0.14349 104 7D+2 0.07788 -0.31057 0.24275 -0.01242 0.35003 105 7D-2 0.39147 -0.15392 0.35440 -0.06983 -0.27495 106 8D 0 0.06481 -0.03820 -0.06325 -0.03607 0.02239 107 8D+1 -0.06105 -0.01487 -0.02069 -0.02360 -0.11126 108 8D-1 0.03503 -0.06884 -0.01069 0.01448 -0.04644 109 8D+2 0.02508 -0.10309 0.07962 -0.00402 0.11456 110 8D-2 0.12950 -0.05013 0.11613 -0.02301 -0.08990 111 6 Cu 1S 0.00001 -0.00005 -0.00155 -0.00003 0.00004 112 2S -0.00012 0.00044 0.01312 -0.00024 0.00006 113 3S 0.00037 -0.00053 -0.14780 0.00008 0.00029 114 4PX -0.00356 -0.00425 -0.00013 -0.00139 -0.01103 115 4PY -0.00236 -0.00187 0.00001 -0.00193 -0.00565 116 4PZ -0.00463 0.00422 -0.00005 -0.01235 0.00213 117 5PX 0.01124 0.01281 0.02218 0.00810 0.06426 118 5PY 0.00753 0.00630 -0.04081 0.01131 0.03357 119 5PZ 0.01481 -0.01320 0.00439 0.07220 -0.01255 120 6PX -0.01939 -0.02454 -0.00103 0.00824 0.06680 121 6PY -0.01279 -0.01162 0.00412 0.01118 0.03525 122 6PZ -0.02445 0.02406 -0.00140 0.07449 -0.01340 123 7D 0 -0.02678 0.00943 0.03062 0.05794 0.00710 124 7D+1 0.05845 0.01290 -0.00486 -0.01970 -0.06575 125 7D-1 -0.05065 0.07961 0.00864 0.05093 -0.04340 126 7D+2 0.06667 0.04515 0.03130 -0.03083 -0.03609 127 7D-2 -0.01116 -0.05014 0.04552 -0.02954 0.02053 128 8D 0 -0.00815 0.00293 0.00903 0.01513 0.00191 129 8D+1 0.01740 0.00411 -0.00140 -0.00589 -0.01732 130 8D-1 -0.01487 0.02366 0.00251 0.01465 -0.01170 131 8D+2 0.01973 0.01326 0.00921 -0.00840 -0.01070 132 8D-2 -0.00315 -0.01481 0.01345 -0.00775 0.00620 133 7 Cu 1S -0.00077 -0.00034 -0.00119 0.00167 0.00240 134 2S 0.01684 0.00746 0.04138 -0.02728 -0.03941 135 3S -0.02541 -0.01070 0.01748 0.04681 0.06823 136 4PX -0.00161 -0.00135 -0.00285 0.00190 0.00335 137 4PY -0.00105 -0.00067 -0.00431 0.00233 0.00358 138 4PZ -0.00149 0.00078 -0.00194 0.00200 0.00148 139 5PX 0.01669 -0.00465 0.01187 0.01546 0.01217 140 5PY -0.01656 -0.01059 0.00798 0.00229 -0.00008 141 5PZ -0.00618 0.02317 0.00659 -0.00599 0.01465 142 6PX 0.01055 0.00186 0.00883 0.01281 -0.00815 143 6PY -0.00068 -0.00040 0.00650 -0.00595 -0.01809 144 6PZ 0.00215 0.00612 0.00508 -0.02958 0.01767 145 7D 0 -0.24666 -0.18349 0.34811 0.27343 -0.18024 146 7D+1 0.01159 0.01349 -0.29151 0.32123 -0.21099 147 7D-1 0.09238 -0.24267 -0.08396 -0.11352 0.15494 148 7D+2 -0.34609 -0.18067 0.07566 -0.20512 0.11384 149 7D-2 -0.33530 -0.00995 0.07928 0.07593 0.10839 150 8D 0 -0.08149 -0.05940 0.11411 0.08885 -0.05894 151 8D+1 0.00277 0.00528 -0.09593 0.10563 -0.06749 152 8D-1 0.03033 -0.08043 -0.02744 -0.03719 0.05120 153 8D+2 -0.11425 -0.06041 0.02414 -0.06592 0.03862 154 8D-2 -0.11097 -0.00358 0.02601 0.02563 0.03616 155 8 Cu 1S -0.00016 -0.00123 0.00060 -0.00097 0.00206 156 2S -0.00029 -0.00225 0.02451 -0.00300 0.00592 157 3S -0.00616 -0.04799 0.00931 -0.04114 0.08741 158 4PX 0.00822 -0.00001 0.00186 -0.00539 0.00361 159 4PY 0.00382 -0.01495 0.01249 0.00376 -0.01356 160 4PZ 0.01462 0.00341 -0.00612 -0.00617 -0.00027 161 5PX -0.03752 -0.00809 -0.00029 0.01947 -0.00238 162 5PY -0.01582 0.07539 -0.06068 -0.01724 0.06424 163 5PZ -0.06471 -0.01401 0.02474 0.03445 -0.00635 164 6PX -0.00993 -0.01167 0.00557 0.00243 0.00665 165 6PY -0.00186 0.02865 -0.03200 -0.01828 0.04696 166 6PZ -0.01469 -0.00210 0.01005 0.01772 -0.01730 167 7D 0 -0.08205 -0.04096 0.03661 0.06032 -0.10250 168 7D+1 0.05533 0.05442 -0.02123 0.03575 0.00899 169 7D-1 -0.00807 0.06074 0.03518 -0.09114 0.05502 170 7D+2 0.03671 -0.03790 0.07565 0.03098 0.03643 171 7D-2 0.01261 -0.14782 0.03811 0.09156 -0.24590 172 8D 0 -0.02471 -0.01267 0.01058 0.02024 -0.03155 173 8D+1 0.01796 0.01792 -0.00751 0.01025 0.00280 174 8D-1 -0.00390 0.01924 0.01006 -0.02891 0.01850 175 8D+2 0.01218 -0.01267 0.02307 0.00871 0.01181 176 8D-2 0.00312 -0.04600 0.01142 0.02864 -0.07842 177 9 C 1S 0.00002 -0.00002 -0.00323 0.00000 -0.00010 178 2S -0.00004 -0.00026 0.00960 -0.00005 0.00029 179 3S -0.00013 0.00122 0.00834 -0.00027 0.00103 180 4PX 0.00593 0.00742 -0.00451 0.00044 0.00303 181 4PY 0.00381 0.00278 0.00951 0.00066 0.00178 182 4PZ 0.00752 -0.00698 -0.00116 0.00364 -0.00057 183 5PX -0.00191 -0.00190 0.01035 -0.00092 -0.00638 184 5PY -0.00129 -0.00062 -0.01955 -0.00110 -0.00332 185 5PZ -0.00276 0.00201 0.00207 -0.00732 0.00118 186 10 O 1S 0.00000 0.00005 0.00099 0.00002 -0.00002 187 2S 0.00002 -0.00001 -0.00104 -0.00007 0.00006 188 3S 0.00001 -0.00065 -0.01289 -0.00004 0.00000 189 4PX -0.00550 -0.00709 0.00322 -0.00098 -0.00856 190 4PY -0.00349 -0.00277 -0.00705 -0.00179 -0.00407 191 4PZ -0.00683 0.00661 0.00085 -0.00953 0.00157 192 5PX -0.00143 -0.00200 0.00044 -0.00046 -0.00411 193 5PY -0.00088 -0.00085 -0.00169 -0.00073 -0.00212 194 5PZ -0.00164 0.00179 0.00033 -0.00455 0.00084 66 67 68 69 70 O O O O O EIGENVALUES -- -0.26123 -0.25853 -0.25851 -0.25772 -0.25770 1 1 Cu 1S 0.00111 -0.00057 -0.00002 0.00061 -0.00052 2 2S -0.05678 0.04676 0.00108 0.01128 -0.00932 3 3S 0.08166 -0.01100 -0.00034 0.03983 -0.03296 4 4PX -0.00420 -0.00298 0.00072 -0.00133 -0.00552 5 4PY 0.00765 -0.00321 0.00024 -0.00316 0.00049 6 4PZ -0.00091 -0.00176 -0.00192 0.00772 0.00821 7 5PX 0.01006 0.00964 -0.01518 0.01775 0.01899 8 5PY -0.04188 0.02829 -0.00447 0.00116 0.01000 9 5PZ -0.00138 0.00717 0.03482 -0.03715 -0.04446 10 6PX 0.00709 0.01092 -0.00911 0.03678 -0.03589 11 6PY -0.02671 0.01155 -0.00282 -0.03895 0.03193 12 6PZ -0.00075 0.00601 0.02139 0.01673 -0.00550 13 7D 0 0.09476 -0.10185 0.09865 -0.03540 0.05655 14 7D+1 -0.01437 0.04020 0.04569 0.02610 0.07053 15 7D-1 -0.03128 0.08299 0.17044 -0.03397 -0.16943 16 7D+2 0.13031 -0.13858 -0.00924 -0.19169 0.08963 17 7D-2 0.03250 0.08583 -0.08719 0.09062 -0.00355 18 8D 0 0.02937 -0.03153 0.02899 -0.01201 0.01851 19 8D+1 -0.00342 0.01244 0.01220 0.00919 0.02178 20 8D-1 -0.01012 0.02552 0.05398 -0.01119 -0.05429 21 8D+2 0.04235 -0.04304 -0.00163 -0.06063 0.02804 22 8D-2 0.00961 0.02620 -0.02717 0.02851 -0.00053 23 2 Cu 1S -0.00079 -0.00019 -0.00037 -0.00146 -0.00051 24 2S -0.03484 0.02027 0.03729 -0.00959 -0.00364 25 3S -0.10320 0.06152 0.11285 -0.07901 -0.02827 26 4PX -0.00578 0.00489 0.00883 -0.00130 -0.00166 27 4PY -0.00057 0.00107 0.00187 0.00220 -0.00003 28 4PZ 0.00358 -0.00306 -0.00603 0.00080 -0.00167 29 5PX 0.03546 -0.03157 -0.04923 0.02250 0.01130 30 5PY 0.00349 -0.00578 -0.00480 -0.02911 -0.00806 31 5PZ -0.02199 0.01100 0.03581 -0.00378 0.00395 32 6PX 0.01844 -0.01816 -0.01871 -0.00448 0.01776 33 6PY 0.00978 -0.00258 0.00571 0.00259 0.01430 34 6PZ -0.01461 -0.00430 0.01731 -0.01404 0.02818 35 7D 0 0.08704 0.06373 0.04986 0.19303 -0.00557 36 7D+1 -0.25074 0.15826 0.46064 0.18024 0.01763 37 7D-1 0.02198 0.11343 0.02735 0.33270 0.23053 38 7D+2 0.30933 -0.23973 -0.26048 0.30997 0.04560 39 7D-2 0.19506 -0.02090 -0.06051 -0.06924 0.04284 40 8D 0 0.02817 0.02143 0.01600 0.06322 -0.00149 41 8D+1 -0.08218 0.05185 0.15175 0.05957 0.00537 42 8D-1 0.00732 0.03735 0.00908 0.10958 0.07633 43 8D+2 0.10127 -0.07910 -0.08565 0.10223 0.01456 44 8D-2 0.06325 -0.00727 -0.02005 -0.02321 0.01386 45 3 Cu 1S 0.00112 0.00029 -0.00047 0.00016 0.00079 46 2S -0.05714 -0.02448 0.03940 0.00268 0.01423 47 3S 0.08217 0.00465 -0.00820 0.01044 0.05025 48 4PX -0.00401 0.00123 0.00160 -0.01050 0.00386 49 4PY 0.00779 0.00117 0.00008 -0.00634 -0.00215 50 4PZ -0.00068 -0.00260 0.00382 0.00096 -0.00091 51 5PX 0.01970 -0.02379 -0.02624 0.05598 -0.00840 52 5PY -0.03532 -0.02299 0.00246 0.02829 -0.01022 53 5PZ 0.01580 0.01597 -0.01936 -0.00505 0.00299 54 6PX 0.01314 -0.01596 -0.01297 -0.00076 0.03253 55 6PY -0.02311 -0.01015 -0.00489 -0.01545 -0.06230 56 6PZ 0.00937 0.01037 -0.01313 -0.00227 -0.01746 57 7D 0 0.00809 -0.07968 0.07327 0.00976 0.03334 58 7D+1 -0.06027 0.08379 0.16757 0.01107 0.12126 59 7D-1 0.09411 0.15221 -0.06295 -0.05998 -0.18880 60 7D+2 0.06144 0.10724 0.02516 -0.15289 0.01500 61 7D-2 0.10974 -0.00141 -0.09184 0.08885 -0.07588 62 8D 0 0.00301 -0.02427 0.02254 0.00325 0.01106 63 8D+1 -0.01962 0.02462 0.05101 0.00322 0.03837 64 8D-1 0.03118 0.04662 -0.01975 -0.01912 -0.05910 65 8D+2 0.01881 0.03498 0.00873 -0.04923 0.00411 66 8D-2 0.03400 -0.00165 -0.02941 0.02834 -0.02515 67 4 Cu 1S 0.00153 0.00001 0.00002 0.00000 -0.00001 68 2S -0.08458 0.00016 -0.00061 0.00032 0.00039 69 3S -0.03039 0.00041 -0.00017 0.00031 0.00010 70 4PX 0.00389 -0.00105 -0.00056 -0.00208 0.00047 71 4PY -0.00727 -0.00061 -0.00026 -0.00102 0.00052 72 4PZ 0.00071 -0.00062 0.00124 0.00064 0.00231 73 5PX -0.00554 0.00072 0.00036 0.00607 -0.00136 74 5PY 0.01047 0.00031 0.00022 0.00299 -0.00145 75 5PZ -0.00109 0.00039 -0.00081 -0.00192 -0.00677 76 6PX -0.01152 0.00110 0.00066 0.01864 -0.00418 77 6PY 0.02190 0.00051 0.00037 0.00941 -0.00430 78 6PZ -0.00242 0.00059 -0.00146 -0.00595 -0.02062 79 7D 0 -0.07612 -0.11133 0.12262 -0.00658 -0.23769 80 7D+1 0.01197 0.12511 0.11200 -0.22829 -0.05227 81 7D-1 -0.01959 0.06336 0.05724 -0.08238 0.09455 82 7D+2 -0.07326 0.01234 -0.05453 0.12541 0.03337 83 7D-2 -0.11005 0.06904 -0.04911 -0.08533 0.11851 84 8D 0 -0.02547 -0.03730 0.04108 -0.00224 -0.07830 85 8D+1 0.00400 0.04196 0.03749 -0.07503 -0.01807 86 8D-1 -0.00655 0.02118 0.01929 -0.02650 0.03264 87 8D+2 -0.02451 0.00423 -0.01823 0.04269 0.01043 88 8D-2 -0.03685 0.02307 -0.01650 -0.02907 0.03906 89 5 Cu 1S -0.00079 -0.00020 0.00034 0.00027 0.00157 90 2S -0.03328 0.02263 -0.03611 0.00232 0.00991 91 3S -0.10148 0.06900 -0.11019 0.01598 0.08425 92 4PX -0.00108 0.00098 -0.00118 0.00223 0.00088 93 4PY 0.00086 -0.00024 0.00051 0.00063 -0.00237 94 4PZ -0.00640 0.00645 -0.01042 0.00008 0.00095 95 5PX 0.00677 -0.01271 0.00520 -0.00903 -0.01691 96 5PY -0.00551 0.00089 -0.00887 0.00312 0.03193 97 5PZ 0.03973 -0.03541 0.05842 -0.00207 -0.01292 98 6PX 0.00036 -0.01503 -0.00095 -0.03276 0.00885 99 6PY 0.00431 -0.00126 -0.01166 -0.01866 -0.00206 100 6PZ 0.02441 -0.01261 0.02295 0.00207 -0.00590 101 7D 0 0.38526 -0.28872 0.48871 0.02531 0.10821 102 7D+1 0.07838 -0.13894 0.11084 -0.08081 -0.10924 103 7D-1 -0.05693 0.02638 -0.12061 0.05068 0.34813 104 7D+2 0.11416 -0.08380 -0.07526 0.07805 -0.27376 105 7D-2 0.15659 0.08904 -0.01556 -0.14785 -0.28759 106 8D 0 0.12593 -0.09500 0.16103 0.00827 0.03587 107 8D+1 0.02589 -0.04623 0.03606 -0.02614 -0.03623 108 8D-1 -0.01905 0.00830 -0.03972 0.01706 0.11497 109 8D+2 0.03714 -0.02770 -0.02471 0.02623 -0.09010 110 8D-2 0.05085 0.02917 -0.00499 -0.04892 -0.09446 111 6 Cu 1S -0.00049 0.00001 0.00002 -0.00001 0.00000 112 2S -0.01329 0.00015 0.00016 -0.00021 -0.00021 113 3S 0.00446 0.00034 0.00055 -0.00017 -0.00025 114 4PX -0.00332 -0.00294 -0.00157 0.01129 -0.00251 115 4PY 0.00641 -0.00182 -0.00052 0.00563 -0.00257 116 4PZ -0.00072 -0.00175 0.00331 -0.00360 -0.01242 117 5PX -0.00632 -0.00644 -0.00374 -0.04995 0.01079 118 5PY 0.01186 -0.00378 -0.00148 -0.02499 0.01107 119 5PZ -0.00146 -0.00393 0.00808 0.01613 0.05418 120 6PX 0.00421 0.00841 0.00559 0.02895 -0.00715 121 6PY -0.01053 0.00504 0.00221 0.01511 -0.00683 122 6PZ 0.00180 0.00404 -0.01017 -0.00891 -0.03281 123 7D 0 0.03492 0.01930 -0.02058 -0.00235 -0.18787 124 7D+1 -0.00661 -0.03824 -0.00632 -0.19007 -0.00317 125 7D-1 0.01271 0.00357 -0.04978 -0.09336 0.00800 126 7D+2 0.03684 -0.03890 -0.00439 0.03756 0.05231 127 7D-2 0.05133 0.00769 0.02505 -0.02508 0.09237 128 8D 0 0.01132 0.00673 -0.00734 -0.00058 -0.05314 129 8D+1 -0.00212 -0.01188 -0.00345 -0.05385 -0.00052 130 8D-1 0.00411 -0.00010 -0.01386 -0.02675 0.00163 131 8D+2 0.01191 -0.01032 -0.00033 0.00996 0.01504 132 8D-2 0.01655 0.00092 0.00727 -0.00658 0.02620 133 7 Cu 1S -0.00081 0.00039 0.00001 0.00118 -0.00105 134 2S -0.03354 -0.04230 -0.00138 0.00752 -0.00619 135 3S -0.10328 -0.12947 -0.00462 0.06353 -0.05488 136 4PX 0.00413 0.00837 0.00040 0.00117 0.00018 137 4PY 0.00457 0.00758 0.00028 -0.00178 0.00189 138 4PZ 0.00249 0.00488 -0.00005 -0.00139 -0.00156 139 5PX -0.02563 -0.04353 -0.00530 -0.00985 0.00492 140 5PY -0.02870 -0.04692 -0.00276 0.02790 -0.02492 141 5PZ -0.01556 -0.02680 0.00728 0.00427 0.00380 142 6PX -0.02023 -0.01290 -0.00678 -0.00446 -0.01630 143 6PY -0.01027 -0.02344 -0.00308 -0.00518 -0.00232 144 6PZ -0.01071 -0.00958 0.01363 0.02457 0.02475 145 7D 0 0.02739 -0.20021 -0.02987 -0.25147 0.12841 146 7D+1 0.09532 0.26879 0.02887 0.20437 -0.30478 147 7D-1 0.17106 0.27424 -0.12196 0.02436 0.10538 148 7D+2 0.06564 -0.04465 -0.02509 0.21232 -0.09748 149 7D-2 0.39493 0.41599 0.07391 -0.19931 0.13685 150 8D 0 0.00864 -0.06574 -0.01031 -0.08250 0.04241 151 8D+1 0.03115 0.08852 0.00914 0.06743 -0.10043 152 8D-1 0.05607 0.09026 -0.04047 0.00850 0.03523 153 8D+2 0.02090 -0.01444 -0.00808 0.07031 -0.03240 154 8D-2 0.12907 0.13705 0.02457 -0.06576 0.04472 155 8 Cu 1S 0.00108 0.00026 0.00049 -0.00077 -0.00028 156 2S -0.05654 -0.02170 -0.04139 -0.01335 -0.00448 157 3S 0.07984 0.00490 0.00967 -0.05085 -0.01809 158 4PX -0.00406 -0.00091 -0.00399 -0.00280 0.00519 159 4PY 0.00787 0.00043 -0.00066 0.00196 0.00499 160 4PZ -0.00081 0.00276 0.00138 -0.00412 0.00915 161 5PX 0.02838 -0.00384 0.03239 0.00560 -0.02983 162 5PY -0.03272 -0.01577 -0.00208 0.01130 -0.01824 163 5PZ -0.00355 -0.03367 0.00432 0.01749 -0.04847 164 6PX 0.01731 -0.00285 0.01775 -0.01622 -0.00219 165 6PY -0.02022 -0.00595 0.00567 0.06439 0.02540 166 6PZ -0.00188 -0.02074 0.00069 -0.02017 -0.00092 167 7D 0 0.08600 -0.08085 0.12560 0.04905 0.04354 168 7D+1 0.05075 0.16295 0.06139 0.04772 0.09606 169 7D-1 -0.01547 -0.07823 0.00935 -0.04828 -0.14889 170 7D+2 -0.01121 0.04623 -0.14807 -0.14800 0.04612 171 7D-2 0.13984 0.08462 0.07531 0.16158 0.00467 172 8D 0 0.02690 -0.02340 0.03813 0.01623 0.01395 173 8D+1 0.01560 0.05070 0.01866 0.01573 0.03110 174 8D-1 -0.00623 -0.02581 0.00377 -0.01417 -0.04734 175 8D+2 -0.00454 0.01515 -0.04598 -0.04647 0.01526 176 8D-2 0.04485 0.02507 0.02416 0.05136 0.00141 177 9 C 1S -0.01334 0.00005 -0.00003 0.00009 0.00002 178 2S 0.02778 -0.00006 0.00021 -0.00038 -0.00013 179 3S 0.07714 -0.00043 -0.00042 0.00029 0.00024 180 4PX -0.01639 0.00053 -0.00005 -0.00525 0.00093 181 4PY 0.03442 0.00019 0.00005 -0.00271 0.00104 182 4PZ -0.00480 0.00059 -0.00059 0.00185 0.00530 183 5PX -0.00504 0.00202 0.00082 -0.00385 0.00134 184 5PY 0.01161 0.00124 0.00019 -0.00213 0.00108 185 5PZ -0.00203 0.00160 -0.00240 0.00099 0.00511 186 10 O 1S 0.00190 -0.00002 -0.00003 0.00000 0.00001 187 2S -0.00594 0.00003 0.00001 0.00009 0.00003 188 3S -0.00665 0.00019 0.00037 -0.00046 -0.00027 189 4PX 0.00879 -0.00348 -0.00153 0.00987 -0.00183 190 4PY -0.02024 -0.00189 -0.00018 0.00452 -0.00221 191 4PZ 0.00343 -0.00254 0.00392 -0.00322 -0.01019 192 5PX 0.00344 -0.00270 -0.00125 0.00653 -0.00132 193 5PY -0.00865 -0.00149 -0.00011 0.00271 -0.00167 194 5PZ 0.00174 -0.00196 0.00307 -0.00194 -0.00695 71 72 73 74 75 O O O O O EIGENVALUES -- -0.25685 -0.25263 -0.25261 -0.25256 -0.24848 1 1 Cu 1S 0.00001 -0.00144 0.00273 -0.00196 0.00007 2 2S 0.00014 -0.00014 0.01687 0.01262 0.00599 3 3S 0.00038 -0.07566 0.10225 -0.13460 0.00939 4 4PX -0.00410 0.00038 -0.00994 0.00234 0.00125 5 4PY -0.00142 0.00010 0.00074 0.00365 0.00149 6 4PZ 0.00921 0.00742 -0.00241 -0.00067 -0.00607 7 5PX 0.01607 -0.00200 0.03613 -0.00738 -0.00673 8 5PY 0.00526 0.01101 -0.01242 0.01183 -0.00689 9 5PZ -0.03550 -0.02361 0.00777 0.00572 0.02704 10 6PX 0.00045 0.01802 -0.00519 0.00886 -0.04430 11 6PY -0.00093 0.00733 -0.00516 0.00499 -0.00995 12 6PZ 0.00127 -0.02165 -0.01150 0.01295 0.08784 13 7D 0 -0.23161 0.14838 -0.11830 0.13895 0.09829 14 7D+1 -0.14660 -0.08027 0.23995 -0.15076 0.17786 15 7D-1 -0.25419 0.02078 0.10009 -0.08803 -0.08999 16 7D+2 0.04919 -0.02821 0.12704 0.05536 -0.10111 17 7D-2 0.15496 -0.07134 0.10088 0.00585 0.03322 18 8D 0 -0.07458 0.04816 -0.03806 0.04507 0.03071 19 8D+1 -0.04730 -0.02525 0.07707 -0.04854 0.05518 20 8D-1 -0.08151 0.00584 0.03211 -0.02859 -0.02648 21 8D+2 0.01597 -0.00883 0.04022 0.01903 -0.03091 22 8D-2 0.04974 -0.02288 0.03251 0.00144 0.01029 23 2 Cu 1S 0.00000 -0.00076 0.00017 0.00006 0.00111 24 2S -0.00011 0.05027 -0.00225 0.02525 -0.03503 25 3S 0.00016 0.03716 0.00403 0.03576 0.03850 26 4PX -0.00019 0.01004 0.00216 0.00462 -0.00133 27 4PY -0.00013 -0.00743 0.00085 -0.00817 0.00010 28 4PZ -0.00031 -0.00159 0.00461 -0.00127 0.00365 29 5PX 0.00075 -0.03044 -0.01612 -0.01750 -0.01446 30 5PY 0.00050 0.03415 -0.00434 0.04531 0.00552 31 5PZ 0.00137 -0.00367 -0.02679 0.00340 -0.01035 32 6PX -0.00401 -0.01838 -0.00772 -0.00833 -0.00387 33 6PY -0.00277 0.00307 -0.00099 0.01795 0.04863 34 6PZ -0.00687 0.00558 -0.01503 0.00349 0.00995 35 7D 0 0.22956 0.16653 0.15681 -0.02021 0.10154 36 7D+1 -0.00440 0.09436 -0.19027 0.04946 -0.05467 37 7D-1 -0.15146 -0.15771 0.08998 -0.22702 0.16841 38 7D+2 0.03767 -0.24493 -0.16647 -0.10933 -0.04621 39 7D-2 -0.15274 0.31231 -0.04995 0.21460 0.06902 40 8D 0 0.07689 0.05520 0.05254 -0.00750 0.03268 41 8D+1 -0.00299 0.03059 -0.06308 0.01636 -0.01788 42 8D-1 -0.04859 -0.05310 0.02972 -0.07490 0.05611 43 8D+2 0.01085 -0.08135 -0.05517 -0.03628 -0.01569 44 8D-2 -0.05054 0.10397 -0.01745 0.07018 0.02051 45 3 Cu 1S -0.00001 -0.00252 -0.00265 -0.00028 -0.00047 46 2S -0.00023 -0.00455 -0.00583 0.02011 -0.03132 47 3S -0.00043 -0.12104 -0.12503 -0.06335 -0.05204 48 4PX 0.00892 -0.00379 0.00530 -0.00213 0.00468 49 4PY 0.00474 -0.00531 -0.00097 0.00443 -0.00519 50 4PZ -0.00091 -0.00580 -0.00712 0.00121 -0.00489 51 5PX -0.03458 0.00537 -0.02541 0.00088 -0.02184 52 5PY -0.01803 0.03048 0.01593 -0.00471 0.02340 53 5PZ 0.00361 0.01102 0.01543 -0.01495 0.01623 54 6PX 0.00037 0.01928 -0.01849 0.00090 -0.01749 55 6PY 0.00137 0.00884 -0.01063 -0.00176 -0.04191 56 6PZ 0.00022 -0.01532 -0.01181 -0.00683 -0.00710 57 7D 0 -0.06119 -0.24098 -0.23321 0.04142 -0.20581 58 7D+1 0.33457 0.04397 -0.07966 -0.04867 -0.00892 59 7D-1 0.19112 -0.03290 -0.10946 0.07192 0.01934 60 7D+2 0.11269 0.10672 0.05988 0.05186 0.00386 61 7D-2 -0.03346 0.10501 0.12326 0.09013 0.13612 62 8D 0 -0.01968 -0.07751 -0.07498 0.01304 -0.06698 63 8D+1 0.10765 0.01380 -0.02618 -0.01610 -0.00296 64 8D-1 0.06143 -0.00978 -0.03440 0.02382 0.00598 65 8D+2 0.03598 0.03379 0.01988 0.01680 0.00099 66 8D-2 -0.01056 0.03444 0.03951 0.02930 0.04117 67 4 Cu 1S 0.00000 0.00053 0.00045 0.00178 0.00003 68 2S -0.00002 -0.00265 -0.00176 -0.00737 -0.00078 69 3S -0.00002 0.01873 0.01687 0.06593 -0.00144 70 4PX -0.00003 0.00023 0.00030 0.00095 -0.00098 71 4PY -0.00002 -0.00057 -0.00038 -0.00168 -0.00040 72 4PZ -0.00002 0.00014 0.00011 0.00009 0.00403 73 5PX 0.00007 0.00009 0.00074 0.00176 0.00510 74 5PY 0.00006 -0.00103 -0.00076 -0.00356 0.00207 75 5PZ 0.00008 0.00038 0.00028 0.00047 -0.02097 76 6PX 0.00020 -0.00502 0.00918 0.00756 0.01273 77 6PY 0.00015 -0.00739 0.00071 -0.01547 0.00295 78 6PZ 0.00028 0.00848 0.00751 -0.00191 -0.04693 79 7D 0 0.00346 -0.17853 -0.26427 0.06595 0.46959 80 7D+1 -0.00073 -0.29108 0.12678 0.04937 0.36517 81 7D-1 -0.00185 -0.05129 0.14836 -0.03718 -0.07887 82 7D+2 0.00071 0.14223 -0.05066 -0.07041 -0.21598 83 7D-2 -0.00268 -0.02753 0.16945 -0.10493 -0.14608 84 8D 0 0.00113 -0.05923 -0.08749 0.02141 0.15349 85 8D+1 -0.00023 -0.09652 0.04129 0.01664 0.11913 86 8D-1 -0.00062 -0.01593 0.04977 -0.01293 -0.02515 87 8D+2 0.00026 0.04768 -0.01790 -0.02366 -0.07054 88 8D-2 -0.00089 -0.00995 0.05637 -0.03522 -0.04798 89 5 Cu 1S -0.00003 0.00047 0.00050 -0.00033 -0.00138 90 2S -0.00007 -0.01753 -0.02091 0.04757 0.04409 91 3S -0.00125 -0.00478 -0.00804 0.05369 -0.04645 92 4PX 0.00038 -0.00453 0.00173 0.00695 -0.00055 93 4PY 0.00027 -0.00025 0.00396 -0.01178 -0.00094 94 4PZ -0.00002 -0.00254 -0.00365 0.00543 0.00408 95 5PX -0.00128 0.02279 -0.01639 -0.03243 0.01294 96 5PY -0.00139 0.00861 -0.01601 0.05706 -0.00839 97 5PZ 0.00028 0.00342 0.00840 -0.01024 0.00384 98 6PX 0.00640 0.00996 -0.01088 -0.01206 0.01408 99 6PY 0.00348 0.00956 -0.00282 0.02070 -0.05284 100 6PZ -0.00069 0.00690 0.01005 -0.01225 -0.00460 101 7D 0 -0.03942 0.01159 0.07137 0.02382 -0.00878 102 7D+1 0.21647 0.22884 -0.08121 -0.25064 0.02935 103 7D-1 0.08737 0.01372 -0.21376 0.45090 0.06443 104 7D+2 -0.15352 0.08322 -0.15484 -0.00761 -0.01407 105 7D-2 0.13540 -0.13219 -0.02004 0.08697 -0.16683 106 8D 0 -0.01332 0.00310 0.02307 0.00797 -0.00138 107 8D+1 0.07304 0.07671 -0.02713 -0.08286 0.00901 108 8D-1 0.02989 0.00406 -0.07189 0.14918 0.02297 109 8D+2 -0.04883 0.02730 -0.05112 -0.00299 -0.00370 110 8D-2 0.04363 -0.04378 -0.00702 0.02802 -0.05340 111 6 Cu 1S 0.00000 0.00039 0.00033 0.00129 0.00002 112 2S 0.00000 0.00548 0.00447 0.01737 -0.00026 113 3S 0.00002 0.04272 0.03791 0.14802 0.00137 114 4PX 0.00017 -0.00444 0.00954 0.00925 0.00312 115 4PY 0.00011 -0.00797 0.00014 -0.01757 0.00019 116 4PZ 0.00018 0.00843 0.00749 -0.00210 -0.01077 117 5PX -0.00077 0.02114 -0.03847 -0.03145 -0.00759 118 5PY -0.00048 0.02909 -0.00458 0.05871 -0.00028 119 5PZ -0.00079 -0.03508 -0.03117 0.01130 0.02547 120 6PX 0.00030 -0.01325 0.00826 -0.00886 0.02507 121 6PY 0.00021 -0.00053 0.01028 0.01379 0.00517 122 6PZ 0.00063 0.01165 0.00999 -0.00560 -0.09196 123 7D 0 0.00349 0.00664 0.04227 -0.17765 -0.03501 124 7D+1 -0.00194 0.08533 -0.05852 0.01667 0.00002 125 7D-1 -0.00063 0.04448 -0.02870 -0.05190 -0.05637 126 7D+2 -0.00099 -0.05824 -0.06493 -0.13078 0.00490 127 7D-2 -0.00180 -0.08523 -0.09219 -0.19437 0.02512 128 8D 0 0.00099 0.00094 0.01145 -0.05437 -0.00909 129 8D+1 -0.00057 0.02446 -0.01773 0.00562 0.00139 130 8D-1 -0.00017 0.01415 -0.00750 -0.01663 -0.01802 131 8D+2 -0.00029 -0.01663 -0.02106 -0.04082 0.00075 132 8D-2 -0.00050 -0.02693 -0.02708 -0.06049 0.00743 133 7 Cu 1S 0.00002 0.00022 -0.00073 0.00003 0.00023 134 2S 0.00015 -0.00375 0.04827 0.02636 -0.00785 135 3S 0.00101 0.00444 0.03657 0.03867 0.00912 136 4PX -0.00014 -0.00099 0.00013 0.00410 -0.00097 137 4PY -0.00009 -0.00073 -0.01220 -0.00907 -0.00020 138 4PZ 0.00042 0.00493 -0.00023 -0.00141 0.00353 139 5PX 0.00042 0.00754 -0.01018 -0.02810 0.00738 140 5PY 0.00082 0.00862 0.04274 0.04277 0.00605 141 5PZ -0.00174 -0.02880 -0.00737 0.00550 -0.01839 142 6PX -0.00298 0.00149 0.00875 -0.01005 -0.01991 143 6PY -0.00111 0.00494 0.01728 0.01923 0.00343 144 6PZ 0.00664 -0.01621 0.00152 0.00363 0.02945 145 7D 0 -0.19403 0.09968 0.17154 -0.02811 0.05376 146 7D+1 -0.20005 0.08294 0.07217 0.11356 -0.05981 147 7D-1 0.05610 0.24815 -0.07013 -0.16559 0.24244 148 7D+2 0.12529 -0.00102 0.38945 0.29481 0.05926 149 7D-2 0.01660 -0.12729 -0.13271 -0.03446 -0.09198 150 8D 0 -0.06487 0.03350 0.05664 -0.01012 0.01777 151 8D+1 -0.06606 0.02783 0.02487 0.03735 -0.01965 152 8D-1 0.01607 0.08227 -0.02313 -0.05477 0.08019 153 8D+2 0.04110 -0.00121 0.12972 0.09682 0.01902 154 8D-2 0.00667 -0.04253 -0.04389 -0.01179 -0.03076 155 8 Cu 1S 0.00000 0.00270 -0.00121 -0.00212 0.00036 156 2S 0.00004 0.01673 0.00011 0.01122 0.02557 157 3S 0.00012 0.09897 -0.06415 -0.14217 0.04075 158 4PX -0.00500 0.00421 0.00128 -0.00459 -0.00131 159 4PY -0.00344 0.00837 0.00064 -0.00068 0.00467 160 4PZ -0.00856 -0.00422 0.00715 0.00050 -0.00615 161 5PX 0.01953 -0.00786 -0.01182 -0.00465 0.00918 162 5PY 0.01346 -0.03578 0.00397 0.01684 -0.01928 163 5PZ 0.03349 0.01357 -0.02213 0.00396 0.02524 164 6PX -0.00052 0.00620 -0.01825 -0.00693 0.02702 165 6PY -0.00025 0.00101 -0.01199 -0.00448 0.04468 166 6PZ -0.00094 -0.01073 -0.01853 0.01569 0.04456 167 7D 0 0.29036 -0.03117 0.11537 0.09068 0.03404 168 7D+1 -0.19178 -0.24690 0.05620 0.20113 -0.13199 169 7D-1 0.06843 -0.17180 0.08723 0.09641 -0.15926 170 7D+2 -0.16852 0.02618 -0.05516 0.00057 0.10024 171 7D-2 -0.11671 0.11555 -0.03317 0.06761 -0.07536 172 8D 0 0.09350 -0.01012 0.03752 0.02945 0.01120 173 8D+1 -0.06157 -0.07931 0.01854 0.06510 -0.04307 174 8D-1 0.02177 -0.05507 0.02719 0.03068 -0.04921 175 8D+2 -0.05405 0.00867 -0.01758 -0.00068 0.03210 176 8D-2 -0.03767 0.03663 -0.01062 0.02269 -0.02188 177 9 C 1S 0.00000 0.00676 0.00606 0.02367 0.00043 178 2S 0.00000 -0.01473 -0.01325 -0.05175 -0.00104 179 3S 0.00001 -0.03346 -0.02987 -0.11685 -0.00144 180 4PX -0.00011 0.01449 0.00156 0.02904 -0.00336 181 4PY -0.00006 -0.01513 -0.01920 -0.06054 -0.00137 182 4PZ -0.00010 -0.00425 -0.00354 0.01095 0.01362 183 5PX -0.00006 -0.00072 -0.00195 -0.00508 -0.00350 184 5PY -0.00003 0.00269 0.00185 0.00862 -0.00052 185 5PZ -0.00008 -0.00089 -0.00072 -0.00046 0.01355 186 10 O 1S 0.00000 -0.00156 -0.00138 -0.00541 -0.00008 187 2S 0.00000 0.00395 0.00350 0.01373 0.00029 188 3S 0.00000 0.00943 0.00834 0.03262 0.00009 189 4PX 0.00018 -0.01486 0.00320 -0.02049 0.00508 190 4PY 0.00010 0.00953 0.01650 0.04381 0.00100 191 4PZ 0.00016 0.00766 0.00645 -0.01035 -0.01923 192 5PX 0.00011 -0.00689 0.00287 -0.00682 0.00366 193 5PY 0.00007 0.00288 0.00688 0.01565 0.00029 194 5PZ 0.00010 0.00442 0.00374 -0.00474 -0.01331 76 77 78 79 80 O O O O O EIGENVALUES -- -0.24847 -0.24816 -0.24644 -0.24335 -0.24332 1 1 Cu 1S -0.00049 -0.00091 -0.00001 0.00220 0.00050 2 2S -0.03306 0.02302 -0.00006 0.03908 0.00900 3 3S -0.05376 -0.07790 -0.00012 0.08865 0.02061 4 4PX 0.00793 0.00050 0.00189 0.00434 -0.00237 5 4PY -0.00315 -0.00323 0.00075 -0.01164 -0.00374 6 4PZ 0.00187 -0.00033 -0.00442 -0.00171 0.00698 7 5PX -0.03153 0.01805 -0.01397 -0.03427 -0.00130 8 5PY 0.01750 0.00970 -0.00519 0.05568 0.01485 9 5PZ -0.00592 0.01002 0.03221 -0.00345 -0.01508 10 6PX 0.01664 0.00238 -0.00870 0.02055 -0.01540 11 6PY -0.02194 0.01086 -0.00260 -0.01561 -0.01029 12 6PZ 0.02423 0.00418 0.01884 -0.00486 0.04366 13 7D 0 0.15744 0.00620 -0.16769 0.17847 -0.05450 14 7D+1 -0.12693 0.07893 -0.22089 -0.05507 -0.09249 15 7D-1 -0.10887 -0.02402 0.17621 0.11373 -0.01711 16 7D+2 -0.00797 0.14570 0.14357 0.01865 0.04438 17 7D-2 -0.09261 -0.00846 -0.03587 0.32449 0.11315 18 8D 0 0.04896 0.00158 -0.05279 0.05559 -0.01785 19 8D+1 -0.04069 0.02386 -0.06993 -0.01643 -0.02951 20 8D-1 -0.03478 -0.00800 0.05668 0.03632 -0.00513 21 8D+2 -0.00343 0.04412 0.04556 0.00567 0.01428 22 8D-2 -0.03160 -0.00431 -0.01177 0.10275 0.03583 23 2 Cu 1S 0.00094 0.00072 0.00000 -0.00012 -0.00041 24 2S -0.02960 0.00129 -0.00008 0.00701 0.02264 25 3S 0.03218 0.00637 -0.00005 0.00023 0.00090 26 4PX -0.00345 -0.00151 -0.00513 0.00149 0.00163 27 4PY -0.00150 -0.00235 -0.00355 -0.00101 -0.00553 28 4PZ -0.00090 0.00184 -0.00881 0.00186 0.00056 29 5PX 0.00094 0.00458 0.02303 -0.00461 -0.00407 30 5PY 0.01357 0.01169 0.01601 0.00386 0.02028 31 5PZ 0.01369 -0.00743 0.03958 -0.00686 -0.00332 32 6PX -0.02477 -0.00011 0.00825 -0.01327 0.00324 33 6PY 0.02586 0.00041 0.00558 0.00140 0.03704 34 6PZ -0.02871 -0.00009 0.01412 -0.02654 -0.00660 35 7D 0 0.01384 -0.01552 -0.19999 0.08392 0.01506 36 7D+1 0.14648 -0.09058 0.19624 -0.00595 -0.03926 37 7D-1 -0.08054 -0.05478 -0.13944 -0.07508 -0.03387 38 7D+2 0.17182 0.02600 0.19094 0.02310 0.00357 39 7D-2 0.02590 0.04094 0.05251 -0.01760 0.12753 40 8D 0 0.00344 -0.00510 -0.06646 0.02642 0.00547 41 8D+1 0.04869 -0.02956 0.06471 -0.00179 -0.01317 42 8D-1 -0.02614 -0.01774 -0.04562 -0.02411 -0.01117 43 8D+2 0.05650 0.00860 0.06287 0.00775 0.00156 44 8D-2 0.00684 0.01319 0.01766 -0.00499 0.04188 45 3 Cu 1S 0.00016 -0.00091 0.00001 -0.00154 0.00166 46 2S 0.01127 0.02319 0.00007 -0.02729 0.02947 47 3S 0.01911 -0.07811 0.00047 -0.06225 0.06703 48 4PX 0.00412 0.00156 -0.00417 -0.00923 -0.00039 49 4PY 0.00502 -0.00247 -0.00227 0.00453 -0.01031 50 4PZ 0.00110 0.00152 0.00044 -0.00204 0.00326 51 5PX -0.01872 -0.00090 0.03084 0.03160 -0.01384 52 5PY -0.02231 -0.00358 0.01661 -0.03505 0.04831 53 5PZ -0.00279 -0.02270 -0.00313 0.00097 -0.00320 54 6PX -0.08726 -0.00534 0.01870 -0.03837 -0.02084 55 6PY -0.03491 0.00519 0.00979 -0.00188 -0.03112 56 6PZ 0.01215 -0.00924 -0.00187 0.00648 -0.00064 57 7D 0 0.05119 0.05824 -0.02459 -0.12123 0.16190 58 7D+1 0.13208 -0.06368 0.15694 -0.12973 -0.03671 59 7D-1 0.03550 0.14373 0.05033 0.03208 -0.12418 60 7D+2 -0.17890 -0.01048 -0.25442 -0.12323 0.14695 61 7D-2 0.08850 0.01703 0.19201 -0.19233 0.17532 62 8D 0 0.01692 0.01624 -0.00768 -0.03891 0.05193 63 8D+1 0.04159 -0.01971 0.04912 -0.04154 -0.01172 64 8D-1 0.01146 0.04414 0.01555 0.01001 -0.03939 65 8D+2 -0.05429 -0.00383 -0.08123 -0.03829 0.04634 66 8D-2 0.02719 0.00434 0.06117 -0.06049 0.05460 67 4 Cu 1S 0.00003 -0.00066 0.00000 0.00001 0.00001 68 2S -0.00089 0.07257 -0.00001 0.00017 0.00008 69 3S -0.00162 0.17219 -0.00003 0.00066 0.00031 70 4PX -0.00340 -0.00770 -0.00001 0.00557 0.00476 71 4PY -0.00219 0.01413 -0.00001 0.00353 0.00194 72 4PZ -0.00105 -0.00133 0.00001 0.00508 -0.00657 73 5PX 0.01769 0.04097 0.00019 -0.03870 -0.03305 74 5PY 0.01129 -0.07520 0.00012 -0.02444 -0.01343 75 5PZ 0.00545 0.00712 0.00005 -0.03528 0.04557 76 6PX 0.04071 0.02561 -0.00011 -0.00101 -0.00085 77 6PY 0.02371 -0.04592 -0.00006 -0.00082 -0.00036 78 6PZ 0.01207 0.00393 -0.00011 -0.00103 0.00124 79 7D 0 -0.26742 0.39128 0.00292 -0.18603 0.11177 80 7D+1 0.39707 -0.04521 -0.00216 0.39663 0.04715 81 7D-1 0.26866 0.10498 -0.00058 -0.21470 0.56251 82 7D+2 -0.20219 0.36917 -0.00301 0.46383 0.19859 83 7D-2 0.28992 0.57088 -0.00023 -0.10101 -0.30394 84 8D 0 -0.08747 0.12878 0.00096 -0.06088 0.03649 85 8D+1 0.13005 -0.01490 -0.00070 0.13060 0.01499 86 8D-1 0.08775 0.03456 -0.00019 -0.07116 0.18555 87 8D+2 -0.06552 0.12154 -0.00100 0.15313 0.06582 88 8D-2 0.09442 0.18789 -0.00006 -0.03369 -0.10026 89 5 Cu 1S 0.00047 0.00069 0.00000 -0.00029 0.00032 90 2S -0.01558 0.00241 0.00014 0.01595 -0.01722 91 3S 0.01697 0.00485 -0.00016 0.00095 -0.00088 92 4PX -0.00318 0.00052 0.00954 0.00328 -0.00075 93 4PY -0.00159 -0.00170 0.00503 -0.00291 0.00457 94 4PZ -0.00101 -0.00274 -0.00095 -0.00053 0.00028 95 5PX 0.01453 -0.00305 -0.04290 -0.01147 0.00265 96 5PY 0.01372 0.00887 -0.02272 0.01052 -0.01633 97 5PZ -0.00365 0.01102 0.00434 0.00339 -0.00267 98 6PX -0.03763 0.00004 -0.01464 -0.02877 -0.00646 99 6PY 0.00185 -0.00094 -0.00804 0.01144 -0.03194 100 6PZ 0.00470 -0.00002 0.00141 0.01326 -0.01064 101 7D 0 -0.02004 0.10940 0.04622 0.07039 -0.05752 102 7D+1 0.09277 0.00802 -0.25338 -0.07766 -0.02316 103 7D-1 0.06278 0.03452 -0.15546 0.03735 -0.08335 104 7D+2 0.23199 -0.01686 -0.19578 0.06276 0.02614 105 7D-2 -0.07929 -0.02846 0.10109 -0.00458 -0.07162 106 8D 0 -0.00722 0.03570 0.01533 0.02323 -0.01933 107 8D+1 0.03123 0.00273 -0.08406 -0.02453 -0.00684 108 8D-1 0.02032 0.01110 -0.05148 0.01260 -0.02687 109 8D+2 0.07627 -0.00544 -0.06418 0.02038 0.00808 110 8D-2 -0.02677 -0.00928 0.03302 -0.00095 -0.02338 111 6 Cu 1S 0.00001 0.00126 0.00000 0.00001 0.00000 112 2S 0.00000 -0.00754 0.00000 -0.00002 0.00001 113 3S 0.00012 0.07950 -0.00003 0.00015 0.00024 114 4PX 0.00953 0.00021 -0.00002 -0.00166 -0.00146 115 4PY 0.00517 -0.00006 -0.00001 -0.00104 -0.00059 116 4PZ 0.00288 -0.00006 -0.00003 -0.00146 0.00194 117 5PX -0.02252 -0.01284 -0.00005 0.01130 0.00959 118 5PY -0.01228 0.02320 -0.00003 0.00717 0.00420 119 5PZ -0.00670 -0.00215 0.00006 0.01021 -0.01329 120 6PX 0.08025 -0.00534 -0.00050 0.03443 0.02917 121 6PY 0.04577 0.01201 -0.00032 0.02161 0.01186 122 6PZ 0.02393 -0.00159 -0.00045 0.03140 -0.04031 123 7D 0 0.02059 -0.02413 -0.00017 -0.03223 0.02373 124 7D+1 -0.04965 0.00307 -0.00011 0.02736 0.03073 125 7D-1 -0.01086 -0.00747 -0.00029 0.00905 0.02200 126 7D+2 -0.04389 -0.02417 0.00025 0.01056 -0.00890 127 7D-2 0.00942 -0.03480 0.00003 0.01581 -0.01147 128 8D 0 0.00545 -0.00810 -0.00005 -0.00986 0.00720 129 8D+1 -0.01408 0.00106 -0.00003 0.00902 0.00905 130 8D-1 -0.00239 -0.00245 -0.00009 0.00205 0.00793 131 8D+2 -0.01453 -0.00811 0.00007 0.00434 -0.00201 132 8D-2 0.00417 -0.01171 0.00001 0.00431 -0.00416 133 7 Cu 1S -0.00144 0.00068 0.00000 0.00042 0.00010 134 2S 0.04585 0.00252 -0.00006 -0.02283 -0.00534 135 3S -0.04865 0.00476 0.00020 -0.00098 -0.00005 136 4PX -0.00307 0.00294 -0.00436 -0.00377 0.00002 137 4PY -0.00269 -0.00001 -0.00145 0.00452 0.00131 138 4PZ -0.00099 0.00142 0.00976 -0.00046 -0.00202 139 5PX 0.00593 -0.01300 0.01961 0.01504 0.00043 140 5PY -0.01417 0.00188 0.00655 -0.01494 -0.00432 141 5PZ -0.00368 -0.00611 -0.04382 0.00260 0.00726 142 6PX 0.03189 0.00040 0.00656 0.03288 -0.00445 143 6PY -0.04447 -0.00081 0.00256 -0.01843 -0.00802 144 6PZ 0.01455 0.00051 -0.01538 0.00487 0.02783 145 7D 0 -0.09920 -0.04793 0.15246 -0.00699 -0.06841 146 7D+1 0.06994 0.08104 0.05475 -0.03461 -0.08470 147 7D-1 0.03876 0.04029 0.29583 -0.01313 0.02875 148 7D+2 -0.00609 0.03880 0.00343 -0.12131 0.01910 149 7D-2 -0.11039 0.04806 -0.15221 -0.05746 -0.01106 150 8D 0 -0.03156 -0.01563 0.05071 -0.00264 -0.02148 151 8D+1 0.02371 0.02637 0.01854 -0.01160 -0.02684 152 8D-1 0.01288 0.01323 0.09739 -0.00451 0.00944 153 8D+2 0.00051 0.01251 0.00084 -0.03976 0.00572 154 8D-2 -0.03497 0.01576 -0.05023 -0.01931 -0.00399 155 8 Cu 1S 0.00032 -0.00087 0.00000 -0.00067 -0.00216 156 2S 0.02143 0.02412 -0.00003 -0.01181 -0.03857 157 3S 0.03500 -0.07592 -0.00028 -0.02738 -0.08823 158 4PX 0.00282 0.00243 0.00227 -0.00593 -0.00648 159 4PY 0.00676 -0.00198 0.00150 0.00039 0.01031 160 4PZ 0.00151 -0.00059 0.00393 -0.00602 0.00240 161 5PX -0.00999 -0.01669 -0.01670 0.01562 0.02615 162 5PY -0.02908 -0.00975 -0.01131 -0.01263 -0.05854 163 5PZ -0.00915 0.01366 -0.02881 0.01406 0.00326 164 6PX -0.03872 -0.01042 -0.00949 -0.02361 0.00087 165 6PY -0.00567 0.00500 -0.00685 -0.00856 0.02688 166 6PZ -0.06837 0.00387 -0.01626 -0.03928 0.00581 167 7D 0 -0.15648 0.02095 0.19237 0.06311 -0.18475 168 7D+1 -0.15961 -0.02948 0.06718 -0.02121 0.07344 169 7D-1 0.06015 -0.10146 -0.22638 -0.06185 -0.13229 170 7D+2 -0.00482 -0.05595 0.11339 -0.11130 -0.26852 171 7D-2 0.08107 0.11983 -0.15766 -0.10662 -0.14123 172 8D 0 -0.04841 0.00587 0.06051 0.02061 -0.05798 173 8D+1 -0.05036 -0.00823 0.02183 -0.00635 0.02426 174 8D-1 0.01773 -0.03122 -0.07218 -0.01976 -0.04117 175 8D+2 0.00041 -0.01834 0.03646 -0.03512 -0.08509 176 8D-2 0.02628 0.03572 -0.04987 -0.03397 -0.04430 177 9 C 1S 0.00023 0.00199 0.00000 0.00001 -0.00001 178 2S -0.00057 -0.00471 0.00000 -0.00003 -0.00001 179 3S -0.00071 -0.00725 0.00001 0.00000 0.00041 180 4PX -0.01168 0.00238 0.00003 0.00145 0.00142 181 4PY -0.00698 -0.00534 0.00002 0.00083 0.00052 182 4PZ -0.00353 0.00072 0.00004 0.00113 -0.00168 183 5PX -0.01169 -0.00451 0.00006 -0.00165 -0.00128 184 5PY -0.00670 0.00832 0.00003 -0.00103 -0.00043 185 5PZ -0.00378 -0.00089 0.00005 -0.00165 0.00190 186 10 O 1S -0.00004 -0.00074 0.00000 0.00000 0.00000 187 2S 0.00015 0.00111 0.00000 0.00001 0.00001 188 3S -0.00009 0.00768 0.00000 0.00000 -0.00007 189 4PX 0.01678 -0.00196 -0.00004 -0.00147 -0.00153 190 4PY 0.00936 0.00460 -0.00003 -0.00083 -0.00055 191 4PZ 0.00520 -0.00064 -0.00006 -0.00106 0.00172 192 5PX 0.01172 -0.00019 -0.00004 -0.00049 -0.00059 193 5PY 0.00629 0.00104 -0.00003 -0.00027 -0.00028 194 5PZ 0.00369 -0.00023 -0.00004 -0.00025 0.00060 81 82 83 84 85 O O O V V EIGENVALUES -- -0.20300 -0.20297 -0.18695 -0.08621 -0.08602 1 1 Cu 1S -0.00016 0.00103 0.00086 -0.00448 -0.00316 2 2S 0.03127 -0.20485 0.05579 -0.13291 -0.09613 3 3S -0.01189 0.08597 0.05613 -0.02731 -0.01813 4 4PX 0.01901 0.02127 0.03583 -0.00434 0.00915 5 4PY 0.00781 -0.00699 -0.04212 0.01876 0.01761 6 4PZ -0.04826 -0.00001 0.01049 0.01802 -0.01670 7 5PX -0.04284 -0.06459 -0.08771 -0.01581 -0.04682 8 5PY -0.01625 0.00013 0.09445 -0.06697 -0.06001 9 5PZ 0.11564 -0.00885 -0.02679 -0.06590 0.03797 10 6PX -0.00519 -0.05328 0.00003 -0.06924 0.04057 11 6PY -0.00047 -0.02582 0.00621 -0.07228 -0.02040 12 6PZ 0.03097 -0.02188 0.00015 0.06517 -0.14276 13 7D 0 0.04653 0.05831 0.03479 0.00307 0.03518 14 7D+1 0.00362 -0.08813 -0.08787 -0.03759 0.02003 15 7D-1 0.19544 -0.01928 0.03704 0.01468 -0.02485 16 7D+2 0.02962 -0.03222 -0.12457 0.01991 -0.01655 17 7D-2 -0.07645 -0.08597 0.07513 0.00605 0.01147 18 8D 0 0.01736 0.01938 0.00985 0.00184 0.01060 19 8D+1 0.00315 -0.03005 -0.02885 -0.01180 0.00539 20 8D-1 0.06532 -0.00778 0.01249 0.00474 -0.00825 21 8D+2 0.00897 -0.01187 -0.04328 0.00585 -0.00497 22 8D-2 -0.02538 -0.03202 0.02380 0.00163 0.00391 23 2 Cu 1S -0.00052 -0.00041 -0.00011 0.00023 -0.00219 24 2S -0.26155 -0.20666 -0.13994 -0.00190 0.01583 25 3S -0.10070 -0.07931 -0.08521 0.00729 -0.07099 26 4PX -0.01509 0.00068 -0.00308 0.00288 -0.01437 27 4PY -0.00216 0.00728 -0.01395 -0.00362 0.03871 28 4PZ -0.00626 0.01674 0.00757 0.00287 -0.00721 29 5PX 0.01649 -0.02346 -0.00464 -0.02185 0.07811 30 5PY 0.00112 -0.02522 0.03926 0.00495 -0.11977 31 5PZ 0.03596 -0.03423 -0.01361 -0.02232 0.00026 32 6PX -0.01810 -0.02001 -0.00306 0.03487 0.06993 33 6PY 0.02323 0.01436 0.00759 0.04988 -0.17356 34 6PZ 0.00826 -0.00328 -0.00141 0.06918 0.04276 35 7D 0 -0.09011 0.08859 0.04954 -0.01633 0.00029 36 7D+1 0.05447 -0.03786 -0.01014 -0.01708 0.01433 37 7D-1 0.00052 0.00390 -0.02061 0.02767 0.04836 38 7D+2 0.01169 -0.05463 0.01864 -0.02419 0.02583 39 7D-2 0.01128 -0.06694 0.09884 0.02123 -0.03294 40 8D 0 -0.02889 0.02995 0.01586 -0.00553 -0.00079 41 8D+1 0.02221 -0.00991 -0.00203 -0.00433 0.00474 42 8D-1 -0.00057 0.00175 -0.00787 0.00742 0.01641 43 8D+2 0.00089 -0.02126 0.00358 -0.00655 0.00894 44 8D-2 0.00416 -0.02145 0.03230 0.00684 -0.01278 45 3 Cu 1S 0.00097 -0.00039 0.00085 0.00508 -0.00207 46 2S -0.19176 0.07668 0.05750 0.15178 -0.06417 47 3S 0.08074 -0.03111 0.05608 0.02975 -0.01071 48 4PX 0.02404 0.04073 0.02515 0.01885 0.01707 49 4PY -0.00601 0.02861 -0.04965 -0.01032 0.01802 50 4PZ -0.01303 0.00000 -0.00816 0.01493 -0.00804 51 5PX -0.05301 -0.09795 -0.05792 -0.05367 -0.04946 52 5PY 0.01099 -0.06661 0.11537 0.02241 -0.04885 53 5PZ 0.05226 -0.00839 0.02493 -0.08141 0.03935 54 6PX -0.01017 -0.02496 -0.00187 0.03387 0.15034 55 6PY 0.00458 -0.01718 0.00440 0.05628 0.06428 56 6PZ 0.05908 -0.01993 -0.00381 -0.07611 0.01054 57 7D 0 -0.13226 0.02993 -0.01622 0.00461 -0.00582 58 7D+1 0.02862 0.10674 0.06896 0.01358 0.02361 59 7D-1 0.00373 0.07845 -0.14884 0.00644 0.00602 60 7D+2 0.06987 0.13278 0.04740 -0.03415 -0.03279 61 7D-2 -0.01247 -0.08804 0.04466 -0.01187 0.03824 62 8D 0 -0.04738 0.01088 -0.00591 0.00204 -0.00181 63 8D+1 0.00990 0.03779 0.02362 0.00379 0.00633 64 8D-1 0.00170 0.02703 -0.05056 0.00204 0.00126 65 8D+2 0.02197 0.04367 0.01448 -0.01090 -0.01012 66 8D-2 -0.00513 -0.02794 0.01276 -0.00412 0.01201 67 4 Cu 1S -0.00001 -0.00001 0.00043 -0.00001 -0.00009 68 2S 0.00316 0.00106 0.38297 -0.00019 -0.00381 69 3S 0.00139 0.00035 0.10081 0.00029 -0.00346 70 4PX 0.00525 0.01529 -0.00619 0.01310 0.02674 71 4PY 0.00131 0.00880 0.01137 0.01001 0.01290 72 4PZ -0.01758 0.00519 -0.00095 0.02972 -0.01614 73 5PX -0.01606 -0.04635 -0.00788 -0.04875 -0.09866 74 5PY -0.00363 -0.02643 0.01497 -0.03721 -0.04905 75 5PZ 0.05316 -0.01572 -0.00188 -0.11056 0.06004 76 6PX -0.00137 -0.00359 -0.01940 -0.01666 -0.03542 77 6PY 0.00006 -0.00178 0.03768 -0.01260 -0.01914 78 6PZ 0.00388 -0.00119 -0.00434 -0.03841 0.02244 79 7D 0 -0.05407 0.02531 -0.01467 -0.00767 -0.00140 80 7D+1 -0.09410 0.00721 0.00272 0.03467 0.00575 81 7D-1 0.14110 -0.05169 -0.00485 -0.04915 0.03907 82 7D+2 0.04558 0.14387 -0.01471 0.03459 0.04410 83 7D-2 -0.02788 -0.10213 -0.02134 -0.00512 -0.03607 84 8D 0 -0.01678 0.00766 -0.00819 -0.00193 -0.00048 85 8D+1 -0.03048 0.00361 0.00136 0.01001 0.00134 86 8D-1 0.04724 -0.01654 -0.00248 -0.01434 0.01122 87 8D+2 0.01464 0.04779 -0.00814 0.00999 0.01292 88 8D-2 -0.00981 -0.03342 -0.01197 -0.00164 -0.01049 89 5 Cu 1S 0.00062 -0.00025 -0.00016 -0.00203 0.00108 90 2S 0.30767 -0.12271 -0.14504 0.01267 -0.00059 91 3S 0.11739 -0.04769 -0.09032 -0.06657 0.03123 92 4PX 0.01057 0.01571 0.00479 -0.01722 0.00939 93 4PY -0.00164 0.01098 -0.01120 0.03546 -0.01488 94 4PZ 0.00949 -0.00581 -0.01042 0.00344 -0.00285 95 5PX -0.02527 -0.04770 -0.01695 0.05534 -0.04705 96 5PY 0.00166 -0.03056 0.03536 -0.12338 0.04378 97 5PZ 0.01134 0.00151 0.01465 0.02612 -0.00300 98 6PX 0.01247 -0.01341 -0.00423 0.10380 0.04074 99 6PY -0.02740 0.00610 0.00919 -0.12264 0.10289 100 6PZ 0.01530 -0.00535 -0.00019 -0.01693 0.00353 101 7D 0 0.04611 0.00833 0.05535 -0.02240 0.00956 102 7D+1 -0.05259 -0.12912 -0.02773 0.02506 0.00023 103 7D-1 -0.01738 -0.07228 0.05706 -0.05033 0.02367 104 7D+2 0.00855 -0.02155 0.03794 -0.00192 -0.04176 105 7D-2 0.02095 -0.01387 0.06555 0.02205 0.01970 106 8D 0 0.02006 0.00088 0.01616 -0.00835 0.00341 107 8D+1 -0.01508 -0.04378 -0.01024 0.00922 0.00040 108 8D-1 -0.00860 -0.02300 0.02048 -0.01771 0.00883 109 8D+2 0.00223 -0.00797 0.01162 -0.00045 -0.01150 110 8D-2 0.00630 -0.00362 0.02058 0.00562 0.00574 111 6 Cu 1S 0.00002 0.00002 0.00082 -0.00001 -0.00040 112 2S -0.00301 -0.00085 -0.15758 -0.00033 -0.00709 113 3S 0.00129 -0.00007 0.06134 -0.00042 0.01069 114 4PX 0.01589 0.04571 -0.01757 -0.02065 -0.04299 115 4PY 0.00341 0.02607 0.03241 -0.01610 -0.02064 116 4PZ -0.05233 0.01551 -0.00301 -0.04711 0.02593 117 5PX -0.04491 -0.12799 0.05155 0.09298 0.19330 118 5PY -0.00935 -0.07292 -0.09538 0.07218 0.09150 119 5PZ 0.14636 -0.04311 0.00912 0.21157 -0.11599 120 6PX 0.02030 0.05650 0.00167 -0.07244 -0.16900 121 6PY 0.00477 0.03211 -0.01155 -0.05566 -0.08124 122 6PZ -0.06453 0.01827 0.00459 -0.16918 0.10456 123 7D 0 -0.04460 0.03080 0.08805 -0.04346 0.01726 124 7D+1 -0.00234 -0.06772 -0.01303 -0.08459 0.04200 125 7D-1 -0.07621 -0.01245 0.02541 0.14998 -0.08484 126 7D+2 0.00698 -0.05894 0.08597 -0.08401 -0.14324 127 7D-2 0.03810 0.01275 0.12824 0.04789 0.10454 128 8D 0 -0.01135 0.00835 0.02860 -0.00667 0.00303 129 8D+1 0.00302 -0.02123 -0.00430 -0.01936 0.00665 130 8D-1 -0.02934 -0.00173 0.00843 0.03271 -0.02003 131 8D+2 0.00034 -0.02404 0.02812 -0.01922 -0.03110 132 8D-2 0.01298 0.00827 0.04153 0.00914 0.02277 133 7 Cu 1S -0.00011 0.00067 -0.00013 0.00174 0.00154 134 2S -0.04942 0.32831 -0.14306 -0.01185 -0.00307 135 3S -0.01992 0.12572 -0.08853 0.05786 0.04621 136 4PX 0.00928 -0.00328 0.01426 0.02015 0.01707 137 4PY 0.00426 -0.01096 -0.00465 -0.02746 -0.01955 138 4PZ -0.01812 -0.00645 0.00588 0.00666 0.00336 139 5PX -0.02297 -0.01817 -0.03183 -0.04017 -0.04776 140 5PY -0.00834 0.00504 0.02510 0.11278 0.07726 141 5PZ 0.05483 0.00253 -0.01115 -0.01924 0.00962 142 6PX -0.00428 0.00494 -0.00512 -0.10412 -0.03744 143 6PY 0.00392 -0.03563 0.00843 0.10199 0.09065 144 6PZ 0.00877 -0.00180 -0.00179 0.02759 -0.08495 145 7D 0 -0.10109 -0.00369 0.04436 -0.01984 0.00339 146 7D+1 -0.07577 -0.00001 0.01688 0.01641 0.04542 147 7D-1 -0.07850 0.00088 0.00241 0.01357 -0.02989 148 7D+2 0.03094 0.02903 0.08752 0.05144 0.01674 149 7D-2 0.04727 0.04597 0.05485 -0.01601 0.00086 150 8D 0 -0.03301 -0.00350 0.01437 -0.00590 0.00168 151 8D+1 -0.02495 0.00204 0.00566 0.00608 0.01459 152 8D-1 -0.02742 0.00318 -0.00048 0.00301 -0.00802 153 8D+2 0.01021 0.00730 0.02968 0.01819 0.00713 154 8D-2 0.01538 0.01962 0.01534 -0.00412 0.00000 155 8 Cu 1S -0.00085 -0.00067 0.00084 -0.00064 0.00565 156 2S 0.16345 0.12882 0.05475 -0.01846 0.16232 157 3S -0.06862 -0.05421 0.05425 -0.00467 0.04401 158 4PX -0.01361 0.02111 0.01622 0.00979 0.02335 159 4PY 0.00342 0.02539 -0.05257 0.01020 -0.01179 160 4PZ -0.03373 0.02816 0.01236 0.02213 -0.00510 161 5PX 0.01617 -0.06271 -0.03321 -0.02448 -0.09564 162 5PY -0.00944 -0.06113 0.12370 -0.02690 0.01493 163 5PZ 0.08984 -0.05894 -0.03194 -0.06560 0.03902 164 6PX -0.02673 -0.03892 -0.00590 0.08383 -0.06571 165 6PY -0.01482 -0.02447 0.00669 0.05117 0.02588 166 6PZ 0.04405 0.00419 0.00071 0.12538 0.05018 167 7D 0 0.03351 -0.06848 0.01520 -0.03063 -0.02356 168 7D+1 -0.15923 0.02408 0.01517 -0.00845 -0.01913 169 7D-1 0.02995 -0.12392 0.11962 0.03964 -0.01201 170 7D+2 -0.04108 0.12404 0.10850 -0.01750 -0.01208 171 7D-2 0.03264 0.02845 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4PZ -0.09253 0.02806 0.00922 -0.32359 0.17577 192 5PX 0.01861 0.05198 0.00583 -0.10295 -0.21899 193 5PY 0.00184 0.02786 -0.01693 -0.08022 -0.09232 194 5PZ -0.05859 0.01781 0.00370 -0.23471 0.12768 86 87 88 89 90 V V V V V EIGENVALUES -- -0.07931 -0.07077 -0.07059 -0.04250 -0.03085 1 1 Cu 1S 0.00223 -0.00531 -0.00770 -0.00628 -0.00005 2 2S -0.08291 -0.14364 -0.20677 -0.13923 0.01995 3 3S 0.27830 0.03355 0.04730 -0.16037 -0.02838 4 4PX -0.02879 0.00833 0.02952 -0.00259 0.04489 5 4PY -0.03455 0.00685 0.01563 0.02496 -0.02096 6 4PZ -0.01759 0.02603 0.00072 -0.00034 -0.01655 7 5PX 0.08811 -0.03595 -0.12959 -0.03887 -0.17280 8 5PY 0.06424 -0.05936 -0.11179 -0.04142 0.09768 9 5PZ 0.04817 -0.12072 -0.00848 -0.01440 0.04288 10 6PX 0.02312 -0.05664 -0.03578 -0.03225 0.13592 11 6PY 0.01152 -0.06338 -0.07733 -0.02073 -0.11617 12 6PZ 0.01468 0.02258 -0.06359 -0.02452 -0.01905 13 7D 0 -0.04254 0.02581 -0.06526 0.05983 -0.00396 14 7D+1 0.03534 0.06566 -0.01598 -0.00953 0.04517 15 7D-1 0.03862 -0.01450 0.01179 -0.00651 -0.01959 16 7D+2 -0.02711 -0.04113 0.00541 0.06813 0.02126 17 7D-2 0.04428 -0.01912 -0.02037 0.04870 -0.00425 18 8D 0 -0.01199 0.00680 -0.01775 0.01598 -0.00250 19 8D+1 0.00880 0.01687 -0.00387 -0.00153 0.01444 20 8D-1 0.01037 -0.00250 0.00093 -0.00390 -0.00523 21 8D+2 -0.00914 -0.01028 0.00130 0.02135 0.00678 22 8D-2 0.01098 -0.00728 -0.00684 0.00950 -0.00073 23 2 Cu 1S 0.00941 0.01087 -0.00082 -0.00020 0.00034 24 2S 0.15691 0.24349 -0.01830 0.02251 0.00276 25 3S 0.08258 0.21663 -0.01625 0.09221 0.00739 26 4PX -0.04021 -0.02870 0.02753 -0.00360 0.02323 27 4PY -0.01202 -0.00548 0.01836 0.04163 0.01935 28 4PZ 0.02844 0.02371 0.04174 -0.01492 0.04303 29 5PX 0.17839 0.17266 -0.11619 0.01555 -0.08593 30 5PY 0.04918 0.00320 -0.07323 -0.18118 -0.07202 31 5PZ -0.12435 -0.12124 -0.16800 0.06500 -0.16088 32 6PX 0.11828 0.08128 -0.05040 -0.00176 -0.14670 33 6PY 0.01543 0.07665 -0.03707 -0.08432 -0.11915 34 6PZ -0.07531 -0.08654 -0.06937 0.03582 -0.26713 35 7D 0 -0.01070 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-0.13652 -0.20158 0.02135 0.04247 135 3S 0.08086 -0.12106 -0.18251 0.09574 0.11713 136 4PX 0.03565 0.00345 -0.03402 -0.03263 -0.02214 137 4PY 0.02986 -0.00651 -0.02224 0.02157 0.03243 138 4PZ 0.02066 -0.04808 0.01466 -0.00880 0.02675 139 5PX -0.15644 -0.00325 0.15328 0.14455 0.07660 140 5PY -0.13460 0.05903 0.13870 -0.09595 -0.12767 141 5PZ -0.09129 0.20614 -0.04611 0.04138 -0.10337 142 6PX -0.08694 0.03703 0.12118 0.06782 0.14697 143 6PY -0.09896 0.00954 0.03655 -0.02705 -0.18178 144 6PZ -0.05256 0.10205 0.00153 0.01264 -0.15907 145 7D 0 -0.02742 -0.02770 0.00528 0.01023 -0.01212 146 7D+1 0.03718 0.00006 0.00792 -0.02908 0.00923 147 7D-1 0.03046 -0.05139 0.03924 -0.00180 0.01077 148 7D+2 0.00136 -0.00860 -0.00423 -0.03653 -0.02867 149 7D-2 0.04349 0.02537 -0.01977 -0.00848 -0.02585 150 8D 0 -0.00841 -0.00743 0.00199 0.00326 -0.00102 151 8D+1 0.01135 -0.00082 0.00066 -0.00855 0.00142 152 8D-1 0.00979 -0.01512 0.01086 -0.00056 0.00495 153 8D+2 -0.00004 -0.00346 -0.00257 -0.01030 -0.00853 154 8D-2 0.01429 0.00667 -0.00656 -0.00263 -0.00616 155 8 Cu 1S 0.00201 0.00928 -0.00068 -0.00619 0.00003 156 2S -0.08895 0.25000 -0.01812 -0.13728 0.00201 157 3S 0.27555 -0.05662 0.00352 -0.15793 -0.00182 158 4PX 0.04038 0.02688 -0.01331 -0.01676 -0.02588 159 4PY 0.00285 0.01216 -0.00885 0.01292 -0.02142 160 4PZ -0.02473 -0.02264 -0.01771 0.00443 -0.04431 161 5PX -0.08964 -0.15842 0.06195 0.04503 0.08099 162 5PY -0.03211 -0.02341 0.03705 0.01984 0.07047 163 5PZ 0.06567 0.11082 0.07803 -0.03423 0.13945 164 6PX -0.01869 -0.10923 -0.01943 0.03708 -0.04641 165 6PY -0.01287 0.00448 -0.01994 -0.00417 -0.04621 166 6PZ 0.01569 0.05634 -0.05153 -0.01957 -0.08176 167 7D 0 -0.02388 0.02735 -0.07032 0.05360 0.02010 168 7D+1 -0.06679 0.01853 -0.00026 0.01357 0.01205 169 7D-1 -0.00692 0.02392 0.04444 0.00008 -0.03521 170 7D+2 0.04320 0.01986 -0.01314 0.01850 0.01774 171 7D-2 -0.01558 0.03578 0.04340 0.08382 -0.01841 172 8D 0 -0.00713 0.00780 -0.01900 0.01414 0.00535 173 8D+1 -0.01746 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0.13022 -0.04417 0.12495 0.41184 -0.17612 78 6PZ -0.17041 0.27453 0.11070 -0.03168 0.01366 79 7D 0 0.00822 0.02770 0.02056 -0.01462 0.00704 80 7D+1 0.02141 0.02778 -0.01937 0.00200 -0.00119 81 7D-1 -0.01821 -0.00884 -0.01864 -0.00527 0.00182 82 7D+2 -0.03654 -0.01609 0.01706 -0.01516 0.00697 83 7D-2 0.02587 -0.00393 -0.02138 -0.02435 0.01017 84 8D 0 0.00195 0.00575 0.00430 -0.00344 0.00199 85 8D+1 0.00441 0.00587 -0.00392 0.00047 -0.00034 86 8D-1 -0.00849 -0.00210 -0.00392 -0.00126 0.00048 87 8D+2 -0.01265 -0.00342 0.00382 -0.00356 0.00190 88 8D-2 0.00959 -0.00074 -0.00451 -0.00561 0.00293 89 5 Cu 1S 0.00264 0.00349 0.00190 -0.00298 0.00392 90 2S 0.02447 -0.09312 -0.04594 -0.01716 0.11650 91 3S 0.06630 -0.11801 -0.05625 -0.04594 0.18840 92 4PX 0.03117 -0.01064 -0.00478 0.01131 -0.00016 93 4PY 0.04028 0.00814 0.00542 -0.01765 -0.00425 94 4PZ -0.00947 -0.05803 -0.02988 0.01684 -0.02666 95 5PX -0.11409 0.03377 0.04353 -0.06514 -0.00529 96 5PY -0.15171 -0.03999 -0.01184 0.10453 0.04219 97 5PZ 0.04081 0.25286 0.12863 -0.09950 0.17841 98 6PX -0.20172 0.03107 0.12203 -0.14811 -0.10431 99 6PY -0.23846 -0.05120 0.02082 0.24742 0.20214 100 6PZ 0.05447 0.56337 0.28174 -0.17705 0.07838 101 7D 0 -0.00474 -0.00541 0.00374 0.01492 -0.02705 102 7D+1 -0.01780 0.01933 -0.03456 0.01974 0.00204 103 7D-1 -0.02115 0.00438 -0.01719 -0.02868 -0.01595 104 7D+2 -0.01701 -0.00764 0.01428 -0.01640 0.01016 105 7D-2 -0.01330 0.00541 -0.01374 -0.03044 0.01276 106 8D 0 -0.00085 -0.00296 0.00021 0.00508 -0.00288 107 8D+1 -0.00681 0.00448 -0.00959 0.00533 0.00157 108 8D-1 -0.00800 0.00218 -0.00445 -0.00798 -0.00480 109 8D+2 -0.00541 -0.00102 0.00132 -0.00308 0.00250 110 8D-2 -0.00185 0.00056 -0.00217 -0.00608 0.00293 111 6 Cu 1S 0.00021 0.00009 -0.00008 0.00049 0.00158 112 2S 0.00857 -0.00087 -0.00298 0.06544 0.02298 113 3S 0.00352 -0.00475 -0.02080 0.44998 0.60512 114 4PX 0.01319 -0.01711 0.03718 0.00107 -0.00633 115 4PY 0.00301 -0.00424 0.02102 0.00096 0.01105 116 4PZ -0.00781 0.04245 0.01701 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0.00258 0.01646 -0.00701 0.00278 176 8D-2 -0.00680 -0.00222 0.00195 0.00811 -0.00177 177 9 C 1S 0.00206 -0.00006 0.00064 -0.01282 -0.01450 178 2S -0.00577 0.00007 -0.00230 0.04530 0.05744 179 3S -0.01062 -0.00086 -0.00375 0.09167 0.09439 180 4PX 0.28148 -0.04825 0.10297 -0.01492 -0.02688 181 4PY 0.11023 -0.00971 0.05391 0.04788 0.06371 182 4PZ -0.18363 0.11542 0.04643 -0.00413 -0.01169 183 5PX 0.17705 -0.03630 0.07959 -0.01470 0.02043 184 5PY 0.06872 -0.00898 0.04207 0.04168 -0.03236 185 5PZ -0.11538 0.08980 0.03626 -0.00336 0.00077 186 10 O 1S 0.00027 0.00041 0.00058 -0.01405 -0.02528 187 2S -0.00053 -0.00112 -0.00155 0.03800 0.07338 188 3S -0.00261 -0.00255 -0.00378 0.08652 0.12492 189 4PX -0.15483 0.03350 -0.07150 -0.00092 0.01002 190 4PY -0.06123 0.00646 -0.03916 -0.01051 -0.02327 191 4PZ 0.10123 -0.08099 -0.03286 -0.00003 0.00403 192 5PX -0.13147 0.02503 -0.05363 0.00543 0.01784 193 5PY -0.05217 0.00508 -0.02857 -0.01990 -0.04024 194 5PZ 0.08605 -0.06043 -0.02442 0.00142 0.00655 96 97 98 99 100 V V V V V EIGENVALUES -- 0.02286 0.02805 0.02824 0.03041 0.03891 1 1 Cu 1S -0.00001 -0.00116 -0.00136 -0.00302 0.00119 2 2S -0.00031 -0.02531 -0.03893 0.02361 -0.05059 3 3S -0.00277 -0.24612 -0.41004 0.86567 -0.48980 4 4PX 0.01184 -0.01206 -0.00836 0.03169 -0.00588 5 4PY 0.00399 0.01402 0.01980 0.02926 -0.01096 6 4PZ -0.02648 0.00969 -0.00995 0.01798 -0.00275 7 5PX -0.05820 0.08127 0.05496 -0.13023 0.07349 8 5PY -0.01956 -0.05218 -0.08281 -0.12415 0.02999 9 5PZ 0.13078 -0.05965 0.07517 -0.07222 0.02586 10 6PX -0.05009 0.06407 0.19145 0.03569 0.62565 11 6PY -0.01833 -0.26319 -0.32715 0.11365 0.30631 12 6PZ 0.11082 0.09163 -0.04667 0.02494 0.34519 13 7D 0 -0.04859 -0.00877 -0.04014 0.00770 0.04421 14 7D+1 -0.04815 0.01565 -0.00247 -0.01124 -0.02955 15 7D-1 -0.00015 0.01056 -0.00196 -0.02211 -0.00125 16 7D+2 0.02649 -0.03157 -0.03387 0.01038 0.01348 17 7D-2 0.01071 -0.02378 -0.01663 -0.03710 0.02819 18 8D 0 -0.01212 -0.00134 -0.00914 0.00423 0.01200 19 8D+1 -0.01144 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0.02716 0.00046 0.02928 0.01892 -0.00508 60 7D+2 -0.02627 -0.01280 0.02633 -0.00462 0.03496 61 7D-2 0.02496 -0.01882 0.04383 -0.00262 0.05010 62 8D 0 -0.00256 -0.00355 0.00451 -0.01345 0.00167 63 8D+1 0.01493 0.00730 -0.00175 -0.00514 0.00017 64 8D-1 0.00723 -0.00018 0.00888 0.00472 -0.00211 65 8D+2 -0.00480 -0.00211 0.00613 -0.00017 0.01003 66 8D-2 0.00510 -0.00478 0.00979 0.00089 0.01445 67 4 Cu 1S 0.00000 0.00015 -0.00004 0.00062 -0.00211 68 2S 0.00000 -0.00461 0.00137 -0.07584 0.14168 69 3S 0.00010 -0.05216 0.01212 -0.68114 1.67377 70 4PX 0.00020 0.04026 0.02045 -0.00840 0.00024 71 4PY 0.00012 0.01849 0.01530 0.01382 0.00004 72 4PZ 0.00009 -0.02515 0.04394 -0.00033 -0.00022 73 5PX -0.00080 -0.17262 -0.08566 0.00785 0.05541 74 5PY -0.00048 -0.07281 -0.06548 -0.00728 -0.10046 75 5PZ -0.00036 0.10549 -0.18494 -0.00341 0.00909 76 6PX -0.00144 -0.40038 -0.18729 -0.32863 0.55916 77 6PY -0.00067 -0.13622 -0.15507 0.62243 -0.93951 78 6PZ 0.00072 0.23249 -0.41227 -0.06743 0.06415 79 7D 0 -0.00014 0.00973 -0.03086 0.02464 -0.01681 80 7D+1 0.00019 0.03089 0.00531 -0.00454 0.00479 81 7D-1 0.00003 0.01303 0.00795 0.00616 -0.00153 82 7D+2 0.00005 -0.00971 0.00445 0.02472 -0.01589 83 7D-2 0.00008 0.00476 0.01608 0.03731 -0.02775 84 8D 0 -0.00003 0.00186 -0.00576 0.00866 -0.00765 85 8D+1 0.00005 0.00546 0.00341 -0.00139 0.00151 86 8D-1 0.00000 0.00516 -0.00220 0.00211 -0.00133 87 8D+2 0.00003 0.00184 0.00322 0.00848 -0.00724 88 8D-2 0.00001 -0.00132 0.00213 0.01298 -0.01191 89 5 Cu 1S 0.00000 0.00076 -0.00141 0.00143 -0.00174 90 2S -0.00032 0.01719 -0.03325 -0.06488 -0.07576 91 3S -0.00427 0.11944 -0.26937 -0.73902 -0.75632 92 4PX -0.05078 -0.02381 0.01808 0.00543 -0.01037 93 4PY -0.02706 0.01384 -0.05006 -0.00881 0.02118 94 4PZ 0.00508 0.00543 -0.00841 0.00432 0.00983 95 5PX 0.23441 0.11851 -0.07837 -0.02351 0.03415 96 5PY 0.12494 -0.05988 0.23469 0.05654 -0.06035 97 5PZ -0.02286 -0.03141 0.05804 0.08450 -0.01676 98 6PX 0.76339 0.46936 -0.38333 0.01615 0.30887 99 6PY 0.40960 -0.31122 1.06262 0.13895 -0.47223 100 6PZ -0.07426 -0.15464 0.31053 0.97207 0.26773 101 7D 0 0.00436 0.00463 -0.00865 -0.06074 -0.00111 102 7D+1 -0.02576 -0.01820 0.00709 -0.00976 0.00880 103 7D-1 -0.01224 0.00386 -0.02741 -0.00368 -0.01786 104 7D+2 0.01061 -0.00827 -0.01225 0.00897 -0.00912 105 7D-2 -0.01038 0.01321 -0.01136 0.01227 -0.00998 106 8D 0 0.00002 0.00056 -0.00144 -0.01727 -0.00242 107 8D+1 -0.00051 -0.00182 -0.00060 -0.00337 0.00315 108 8D-1 0.00017 -0.00076 -0.00087 0.00004 -0.00752 109 8D+2 0.00354 -0.00155 -0.00230 0.00218 -0.00096 110 8D-2 -0.00245 0.00220 -0.00130 0.00319 -0.00133 111 6 Cu 1S 0.00000 -0.00033 0.00005 0.00020 0.00617 112 2S -0.00001 -0.00380 0.00032 0.09035 0.16808 113 3S 0.00003 0.01646 -0.01297 2.21592 2.06695 114 4PX 0.00008 0.01689 0.00774 0.01157 -0.00399 115 4PY 0.00004 0.00568 0.00636 -0.02170 0.00445 116 4PZ 0.00003 -0.00977 0.01698 0.00218 0.00044 117 5PX 0.00003 -0.04180 -0.01879 -0.03726 0.04039 118 5PY 0.00005 -0.01409 -0.01547 0.06368 -0.05568 119 5PZ 0.00035 0.02393 -0.04096 -0.00384 0.00028 120 6PX 0.00302 0.18519 0.09657 0.01970 -0.93669 121 6PY 0.00213 0.05635 0.08197 -0.06742 1.86665 122 6PZ 0.00418 -0.10484 0.21377 0.02356 -0.22787 123 7D 0 0.00010 -0.00887 0.04120 0.03751 -0.02130 124 7D+1 -0.00006 -0.04379 -0.01809 -0.00434 0.00243 125 7D-1 0.00002 -0.02964 0.00533 0.01108 -0.00729 126 7D+2 -0.00010 0.00255 -0.01849 0.03592 -0.02149 127 7D-2 -0.00002 0.01098 -0.02042 0.05321 -0.02955 128 8D 0 0.00002 -0.00154 0.00705 0.00586 -0.01144 129 8D+1 -0.00001 -0.00763 -0.00186 -0.00055 0.00189 130 8D-1 0.00001 -0.00362 -0.00096 0.00148 -0.00357 131 8D+2 -0.00002 0.00234 -0.00195 0.00542 -0.01160 132 8D-2 -0.00001 0.00064 -0.00393 0.00842 -0.01645 133 7 Cu 1S -0.00001 0.00099 0.00121 0.00145 -0.00174 134 2S 0.00023 0.02295 0.03049 -0.06418 -0.07619 135 3S 0.00375 0.16757 0.25297 -0.73310 -0.76389 136 4PX 0.02323 -0.02747 -0.02776 0.00203 -0.01993 137 4PY 0.00784 0.02249 0.03683 -0.01030 0.01420 138 4PZ -0.05221 0.00613 -0.01740 -0.00106 -0.00670 139 5PX -0.10677 0.13751 0.14055 -0.09398 0.05029 140 5PY -0.03584 -0.09833 -0.16081 0.00284 -0.04777 141 5PZ 0.24120 -0.03261 0.09419 -0.03905 0.01167 142 6PX -0.34699 0.61394 0.69483 -0.77126 0.11043 143 6PY -0.11971 -0.44114 -0.69900 -0.43957 -0.60743 144 6PZ 0.78764 -0.07261 0.40792 -0.40096 -0.07373 145 7D 0 0.02138 0.00156 0.01358 0.02648 -0.01091 146 7D+1 0.02096 0.00188 0.00742 -0.03858 -0.00022 147 7D-1 0.00106 -0.01809 0.00727 -0.02324 0.00163 148 7D+2 -0.01132 0.01795 0.02690 -0.00782 -0.02150 149 7D-2 -0.00512 0.00950 0.00088 -0.03494 0.00052 150 8D 0 0.00104 0.00026 0.00148 0.00726 -0.00133 151 8D+1 0.00209 -0.00014 0.00003 -0.01046 -0.00307 152 8D-1 -0.00316 -0.00239 0.00239 -0.00698 0.00050 153 8D+2 -0.00150 0.00058 0.00136 -0.00142 -0.00795 154 8D-2 0.00107 0.00215 0.00131 -0.01053 0.00050 155 8 Cu 1S 0.00000 0.00163 -0.00012 -0.00311 0.00154 156 2S 0.00006 0.04770 -0.00492 0.02040 -0.03422 157 3S 0.00075 0.50197 -0.05850 0.83190 -0.28659 158 4PX 0.01382 0.00938 -0.00745 -0.03903 0.01372 159 4PY 0.00965 -0.02464 -0.00263 -0.00695 -0.00284 160 4PZ 0.02379 0.00289 -0.01241 0.02537 -0.00671 161 5PX -0.06776 -0.01856 0.04744 0.16136 -0.05660 162 5PY -0.04733 0.13067 0.02156 0.02505 -0.03288 163 5PZ -0.11669 -0.03107 0.08562 -0.10276 0.04578 164 6PX -0.06036 -0.22490 -0.03777 -0.09635 -0.59842 165 6PY -0.04204 0.40462 -0.08012 0.02467 -0.28957 166 6PZ -0.10334 -0.04708 -0.09706 0.04292 0.46531 167 7D 0 0.05830 0.03162 -0.02443 -0.00011 0.03463 168 7D+1 -0.00965 0.01257 0.00788 0.03092 0.02493 169 7D-1 -0.02693 -0.00078 0.00195 -0.00510 0.02685 170 7D+2 -0.00031 0.00810 0.00632 -0.03413 0.02169 171 7D-2 -0.03545 0.05379 0.00587 -0.00408 0.02941 172 8D 0 0.01465 0.00727 -0.00631 0.00119 0.00980 173 8D+1 -0.00344 0.00186 0.00268 0.01146 0.00430 174 8D-1 -0.00535 -0.00208 -0.00002 0.00034 0.00751 175 8D+2 -0.00125 0.00129 0.00233 -0.00983 0.00867 176 8D-2 -0.00848 0.01415 0.00133 -0.00124 0.00912 177 9 C 1S 0.00000 -0.00100 0.00012 -0.00797 0.01681 178 2S 0.00000 0.00286 -0.00045 0.04435 -0.02008 179 3S 0.00000 0.00391 0.00039 -0.03646 -0.13974 180 4PX 0.00078 0.15400 0.07789 -0.01628 -0.00082 181 4PY 0.00042 0.06532 0.05946 0.02506 0.01022 182 4PZ 0.00032 -0.09451 0.16848 0.00051 -0.00370 183 5PX 0.00052 0.11097 0.05567 0.01623 0.05142 184 5PY 0.00025 0.04359 0.04327 -0.03834 -0.09571 185 5PZ 0.00015 -0.06673 0.12074 0.00783 0.00986 186 10 O 1S 0.00000 0.00127 -0.00027 -0.00062 -0.02890 187 2S 0.00000 -0.00357 0.00074 0.00399 0.08659 188 3S -0.00002 -0.00769 0.00156 -0.00423 0.13774 189 4PX -0.00026 -0.04872 -0.02361 0.00469 -0.00449 190 4PY -0.00014 -0.02194 -0.01792 -0.00721 0.01021 191 4PZ -0.00011 0.03059 -0.05141 -0.00013 -0.00189 192 5PX -0.00030 -0.05995 -0.02977 0.00026 0.00738 193 5PY -0.00016 -0.02460 -0.02308 0.00261 -0.01757 194 5PZ -0.00012 0.03653 -0.06468 -0.00186 0.00275 101 102 103 104 105 V V V V V EIGENVALUES -- 0.04219 0.04223 0.04459 0.04469 0.04949 1 1 Cu 1S -0.00086 -0.00136 0.00272 0.00218 -0.00060 2 2S -0.11154 -0.18830 -0.02811 -0.02187 -0.00378 3 3S -1.52053 -2.55784 -0.51774 -0.40216 0.01015 4 4PX 0.00215 0.01685 -0.02105 0.00072 0.00679 5 4PY 0.00479 0.01238 -0.01401 -0.00485 0.00998 6 4PZ 0.01829 -0.00080 0.01194 -0.03065 -0.02288 7 5PX 0.06397 0.02542 0.12671 -0.00537 -0.01795 8 5PY 0.05657 0.06304 0.13926 0.07098 -0.03779 9 5PZ -0.06643 0.08356 -0.06553 0.19130 0.05813 10 6PX -0.07897 -0.27719 1.76680 0.70163 -0.66059 11 6PY 0.30713 0.47225 0.54132 0.17810 -1.01142 12 6PZ -0.19363 0.07968 -0.06913 1.57680 2.54526 13 7D 0 0.01169 -0.01499 -0.01149 0.02393 0.00664 14 7D+1 0.02025 -0.00623 -0.03070 0.01715 0.00361 15 7D-1 0.00015 0.00355 0.00102 -0.03111 -0.00772 16 7D+2 -0.01217 0.00249 0.01311 -0.01630 -0.00456 17 7D-2 -0.00366 0.00334 -0.03036 -0.01734 0.01112 18 8D 0 0.00720 -0.00771 -0.00537 0.00636 -0.00025 19 8D+1 0.00978 -0.00548 -0.00797 0.00681 -0.00084 20 8D-1 -0.00243 -0.00045 0.00199 -0.00745 -0.00236 21 8D+2 -0.00677 0.00129 0.00306 -0.00589 -0.00028 22 8D-2 -0.00487 -0.00414 -0.00623 -0.00326 0.00259 23 2 Cu 1S 0.00067 -0.00001 0.00015 -0.00112 0.00047 24 2S 0.09790 -0.00155 -0.01585 0.10829 -0.01323 25 3S 1.03477 -0.01698 -0.28940 2.00574 -0.36889 26 4PX 0.00557 0.00620 0.00664 -0.02820 0.00488 27 4PY 0.00705 0.00426 0.00054 0.00943 0.03331 28 4PZ -0.00582 0.01092 0.00268 0.01337 -0.00538 29 5PX -0.10782 0.00691 0.00695 0.03183 0.00861 30 5PY -0.01249 0.00410 0.01523 -0.05500 -0.17526 31 5PZ 0.06816 0.00775 0.01715 0.00861 0.00750 32 6PX -0.72467 0.51904 -0.56008 -0.69655 -0.11778 33 6PY -0.18950 0.35777 -0.52739 0.50946 2.51021 34 6PZ 0.51646 0.86234 -1.13270 -0.05149 -0.16179 35 7D 0 0.00447 0.03178 0.00924 -0.01380 0.00119 36 7D+1 -0.01235 -0.04083 0.01953 -0.00486 0.00235 37 7D-1 0.01033 0.03572 -0.03144 -0.00057 0.01732 38 7D+2 0.02209 -0.04213 0.02232 0.00557 0.00693 39 7D-2 0.00175 -0.00468 -0.00897 -0.02666 -0.04086 40 8D 0 -0.00010 0.01016 0.00503 -0.00361 0.00098 41 8D+1 -0.00680 -0.01052 0.00218 -0.00837 0.00245 42 8D-1 0.00295 0.00791 -0.00447 0.00010 0.00388 43 8D+2 0.00866 -0.01059 0.00095 0.00663 0.00035 44 8D-2 -0.00097 -0.00248 -0.00264 -0.00567 -0.00710 45 3 Cu 1S -0.00083 0.00140 -0.00323 0.00134 -0.00178 46 2S -0.10463 0.19220 0.03377 -0.01342 -0.01403 47 3S -1.42376 2.60934 0.61937 -0.24504 0.00289 48 4PX -0.01457 -0.00552 0.00875 0.02933 0.00358 49 4PY -0.00706 -0.00434 0.00679 0.01513 0.02986 50 4PZ -0.00972 0.01988 -0.02261 0.00606 -0.00362 51 5PX 0.07065 0.06808 -0.02571 -0.18824 0.00953 52 5PY 0.05966 0.00153 -0.08604 -0.07398 -0.10910 53 5PZ -0.05390 0.08286 0.17403 -0.05090 0.02808 54 6PX 0.01658 0.36315 -0.58278 -1.10423 -0.50325 55 6PY 0.35822 -0.42581 0.34990 -0.87267 -3.13506 56 6PZ -0.02732 0.06556 1.89720 -0.64874 0.04022 57 7D 0 -0.00082 -0.00656 0.03445 -0.01812 0.01150 58 7D+1 0.02152 0.00833 0.01893 0.01801 0.00517 59 7D-1 0.00798 0.00723 -0.00533 0.01058 -0.01048 60 7D+2 -0.01369 -0.00295 -0.00883 -0.03573 0.00772 61 7D-2 0.00505 0.00997 0.01578 0.02471 0.02579 62 8D 0 -0.00402 0.00273 0.00613 -0.00379 0.00162 63 8D+1 0.01050 0.00612 0.00427 0.00687 -0.00058 64 8D-1 0.00493 0.00247 0.00026 0.00289 -0.00294 65 8D+2 -0.00838 -0.00090 -0.00234 -0.01079 0.00171 66 8D-2 0.00300 0.00706 0.00555 0.00709 0.00477 67 4 Cu 1S 0.00007 -0.00001 0.00001 -0.00003 0.00002 68 2S -0.00695 0.00026 -0.00079 0.00352 -0.00448 69 3S -0.08412 0.00269 -0.01293 0.04970 -0.06347 70 4PX -0.00388 -0.00227 0.00971 0.02221 0.00704 71 4PY -0.00102 -0.00171 0.00778 0.00991 0.00424 72 4PZ 0.00270 -0.00423 0.02393 -0.01221 -0.01056 73 5PX 0.07355 0.04580 -0.03461 -0.07796 -0.04739 74 5PY 0.03595 0.03314 -0.02695 -0.03673 -0.02263 75 5PZ -0.05579 0.08281 -0.08412 0.04340 0.06670 76 6PX 0.33848 0.21788 0.04659 0.13525 1.84076 77 6PY 0.20965 0.15532 0.04073 0.04662 0.76900 78 6PZ -0.27227 0.39469 0.11902 -0.06889 -2.50924 79 7D 0 0.00603 -0.02250 0.03789 -0.00855 -0.00111 80 7D+1 0.01799 0.03446 -0.00227 -0.03857 -0.01173 81 7D-1 0.04476 -0.03456 -0.01280 -0.01363 0.04999 82 7D+2 0.03069 0.03567 -0.00447 0.01661 0.02749 83 7D-2 -0.02898 0.00138 -0.02071 -0.00670 -0.02750 84 8D 0 0.00117 -0.00439 0.00768 -0.00198 0.00005 85 8D+1 0.00312 0.00906 0.00138 -0.00781 -0.00169 86 8D-1 0.01169 -0.01008 -0.00544 -0.00087 0.00777 87 8D+2 0.00933 0.00961 0.00086 0.00589 0.00428 88 8D-2 -0.00788 -0.00064 -0.00458 -0.00350 -0.00404 89 5 Cu 1S -0.00020 0.00054 -0.00100 0.00035 -0.00033 90 2S -0.04366 0.08311 0.10398 -0.04225 0.01070 91 3S -0.44005 0.85798 1.92478 -0.78860 0.32027 92 4PX 0.01141 0.00413 -0.00810 0.00817 -0.01000 93 4PY 0.00207 0.00767 0.01465 -0.00308 -0.03016 94 4PZ -0.00642 0.00836 -0.02589 0.01014 -0.01055 95 5PX 0.01796 -0.01365 0.03599 0.00817 0.04776 96 5PY -0.00132 0.01615 -0.04861 0.03215 0.16286 97 5PZ 0.06004 -0.11051 0.00350 -0.00355 0.02252 98 6PX 0.83463 0.39445 -0.81450 -1.00536 -0.58570 99 6PY 0.46006 0.20868 0.36974 -0.88385 -2.27613 100 6PZ 0.34187 -0.83096 -0.32464 0.26415 -0.38341 101 7D 0 -0.00118 0.01899 -0.00250 0.00071 0.00916 102 7D+1 -0.04340 -0.01254 0.01020 -0.00380 0.01661 103 7D-1 -0.01706 -0.02701 -0.01511 0.01146 0.03900 104 7D+2 -0.04406 -0.01650 0.00506 0.03783 -0.00360 105 7D-2 0.02009 0.01987 -0.02588 -0.01753 0.01871 106 8D 0 -0.00165 0.00807 0.00721 -0.00225 0.00324 107 8D+1 -0.01396 -0.00220 0.00366 -0.00541 0.00345 108 8D-1 -0.00360 -0.00986 -0.00693 0.00126 0.00699 109 8D+2 -0.01015 -0.00396 -0.00021 0.00534 -0.00101 110 8D-2 0.00467 0.00359 -0.00569 -0.00189 0.00242 111 6 Cu 1S -0.00016 0.00000 0.00002 -0.00007 0.00006 112 2S -0.00497 -0.00009 -0.00002 0.00080 0.00006 113 3S -0.08258 0.00307 -0.00237 0.03416 -0.02952 114 4PX -0.00899 -0.00538 0.00338 0.00722 -0.02476 115 4PY -0.00383 -0.00388 0.00271 0.00296 -0.00928 116 4PZ 0.00657 -0.00973 0.00830 -0.00392 0.03305 117 5PX 0.04588 0.03058 -0.03826 -0.08065 0.12081 118 5PY 0.02822 0.02138 -0.02852 -0.04013 0.05139 119 5PZ -0.03744 0.05525 -0.09247 0.04605 -0.16470 120 6PX -0.15120 -0.13583 -0.10349 -0.24536 1.61850 121 6PY 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0.03813 0.04806 141 5PZ -0.03412 -0.03714 0.00857 -0.02089 -0.15687 142 6PX 0.02496 -0.79377 0.43381 -0.35785 -0.46877 143 6PY -0.11315 -0.48973 -0.54880 -0.70030 -0.65291 144 6PZ -1.00522 0.18057 -0.82479 0.97271 2.11812 145 7D 0 -0.02029 0.01071 0.01697 0.00344 0.03472 146 7D+1 -0.00206 0.00229 0.01088 -0.01442 0.03301 147 7D-1 -0.06113 0.02349 -0.02606 0.02501 0.00681 148 7D+2 0.00048 0.01017 0.00995 0.02632 -0.00615 149 7D-2 0.01514 -0.03610 0.01188 -0.00755 -0.00783 150 8D 0 -0.00567 0.00535 0.00731 0.00081 0.00582 151 8D+1 -0.00258 0.00041 0.00016 -0.00585 0.00629 152 8D-1 -0.01663 0.00380 -0.00606 -0.00084 0.00174 153 8D+2 0.00239 0.00424 0.00369 0.00655 -0.00102 154 8D-2 0.00241 -0.01192 -0.00410 -0.00373 -0.00127 155 8 Cu 1S 0.00147 -0.00003 0.00048 -0.00337 0.00228 156 2S 0.22156 -0.00377 -0.00565 0.03429 0.01931 157 3S 3.00253 -0.04947 -0.10087 0.63302 0.00245 158 4PX 0.01706 -0.00879 0.01881 -0.01627 0.01213 159 4PY 0.00409 -0.00600 0.01191 -0.00244 -0.03289 160 4PZ 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0.00022 24 2S 0.00419 -0.01203 -0.02152 -0.03438 -0.00329 25 3S 0.11476 -0.76510 -0.90326 -1.25807 -0.11910 26 4PX 0.01411 -0.00296 0.02309 0.07281 0.01839 27 4PY 0.00116 -0.00941 -0.02975 0.01076 0.00925 28 4PZ 0.02861 0.00575 -0.00085 -0.04964 0.01390 29 5PX -0.08606 0.05935 -0.05761 -0.33931 -0.07446 30 5PY -0.00682 0.06796 0.15641 -0.04185 -0.03440 31 5PZ -0.14630 -0.06310 -0.03220 0.22475 -0.04493 32 6PX 1.15017 0.46733 -0.00747 0.88793 -0.37536 33 6PY 0.03769 -0.82386 0.94058 -0.42093 -0.38231 34 6PZ 1.96960 0.06315 -0.39116 -0.21976 -0.82349 35 7D 0 0.04179 -0.00980 -0.02337 0.00504 -0.02298 36 7D+1 -0.01205 -0.01727 -0.00844 0.00489 0.00313 37 7D-1 -0.01825 -0.03974 -0.01107 -0.00494 0.01280 38 7D+2 -0.00733 -0.02676 -0.01608 -0.00657 -0.00203 39 7D-2 -0.01177 0.01903 -0.02693 0.00420 0.01579 40 8D 0 0.00721 -0.00016 -0.00442 0.00237 -0.00125 41 8D+1 -0.00293 -0.00427 0.00023 0.00761 -0.00303 42 8D-1 -0.00325 -0.00587 -0.00552 0.00107 0.00671 43 8D+2 -0.00121 -0.00161 -0.00819 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-0.00192 -0.00002 64 8D-1 -0.00105 -0.00841 0.00261 -0.00033 -0.00237 65 8D+2 0.00445 -0.00363 -0.00143 -0.00760 -0.00291 66 8D-2 0.00327 -0.00698 -0.00250 0.00226 0.00509 67 4 Cu 1S -0.00002 -0.00126 -0.00185 -0.00019 0.00001 68 2S 0.00117 -0.05402 0.09591 0.00532 -0.00022 69 3S 0.01730 -0.40856 2.31645 0.15873 -0.00871 70 4PX -0.00880 -0.00664 0.03890 0.02201 0.01524 71 4PY -0.00585 0.01123 -0.07516 0.00339 0.01033 72 4PZ -0.00834 -0.00061 0.00845 -0.01772 0.02105 73 5PX 0.05637 -0.00535 -0.15071 -0.08100 -0.05544 74 5PY 0.03600 0.01399 0.28803 -0.01025 -0.03726 75 5PZ 0.05259 -0.00308 -0.03137 0.06402 -0.07634 76 6PX -2.13186 -0.64463 0.10817 -0.20091 -0.15313 77 6PY -1.34468 1.31066 -0.04142 -0.05843 -0.10615 78 6PZ -1.98032 -0.17347 -0.06333 0.17630 -0.21321 79 7D 0 0.00258 0.02272 0.00508 0.01124 -0.02123 80 7D+1 -0.02909 -0.00312 -0.00227 0.02234 0.00729 81 7D-1 0.02952 0.00700 0.00210 0.00680 0.00921 82 7D+2 -0.04548 0.02253 0.00687 -0.00953 0.00035 83 7D-2 0.02006 0.03267 0.00768 0.00149 0.01307 84 8D 0 0.00048 0.00643 -0.00544 0.00284 -0.00699 85 8D+1 -0.00459 -0.00089 0.00031 0.00643 0.00578 86 8D-1 0.00453 0.00177 -0.00175 0.00695 -0.00142 87 8D+2 -0.00707 0.00628 -0.00506 0.00046 0.00462 88 8D-2 0.00298 0.00940 -0.00753 -0.00383 0.00253 89 5 Cu 1S -0.00034 -0.00088 0.00140 -0.00117 0.00172 90 2S 0.00843 -0.01369 -0.02806 0.01560 -0.02540 91 3S 0.25652 -0.78464 -1.06020 0.59899 -0.94401 92 4PX 0.02914 0.00304 0.01758 0.01106 0.02146 93 4PY -0.00809 -0.00847 -0.03357 0.00940 0.00168 94 4PZ -0.01338 -0.00730 0.02044 -0.05138 0.06905 95 5PX -0.15999 -0.01390 -0.07870 -0.03153 -0.09105 96 5PY 0.04711 0.05044 0.16036 -0.03907 0.00535 97 5PZ 0.04397 0.09792 -0.03057 0.24267 -0.32413 98 6PX 2.17520 0.45640 -0.30747 -0.96640 -0.16618 99 6PY -0.72533 -0.79942 0.78955 0.08686 -0.81772 100 6PZ -0.62245 0.10736 0.53876 -0.26945 0.57753 101 7D 0 0.01825 0.01806 -0.00764 -0.00091 -0.00545 102 7D+1 -0.04139 -0.01597 0.00306 0.02218 0.00887 103 7D-1 0.00924 0.04103 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162 5PY -0.01493 0.02001 -0.38192 0.13117 0.16432 163 5PZ 0.05392 0.00818 0.13622 -0.06534 0.35291 164 6PX 1.61726 0.03244 0.82165 1.59280 0.30623 165 6PY -0.03583 -0.39080 -0.99119 0.85344 0.21238 166 6PZ 2.32013 0.14416 -0.06556 -1.31715 0.12627 167 7D 0 0.00845 -0.01510 -0.01092 -0.00104 0.01697 168 7D+1 0.00450 0.00664 -0.01634 0.00245 -0.03124 169 7D-1 -0.00384 0.01973 -0.02308 0.00483 0.03371 170 7D+2 0.01501 0.00331 -0.01350 0.01234 -0.03227 171 7D-2 0.00055 -0.04143 0.00407 -0.00506 0.00124 172 8D 0 -0.00023 -0.00546 -0.00141 0.00133 0.00016 173 8D+1 0.00188 0.00039 -0.00096 -0.00098 -0.00462 174 8D-1 -0.00031 0.00336 -0.00305 0.00077 0.00652 175 8D+2 0.00333 -0.00038 -0.00288 0.00406 -0.00482 176 8D-2 0.00100 -0.01155 0.00031 0.00131 0.00203 177 9 C 1S -0.00002 -0.02305 -0.02220 -0.00203 0.00012 178 2S 0.00021 0.06706 0.06028 0.00473 -0.00025 179 3S -0.00020 0.19294 0.12199 0.01629 -0.00150 180 4PX 0.07127 -0.03341 -0.01221 -0.04830 -0.03584 181 4PY 0.04377 0.06683 0.02186 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0.00115 6 4PZ 0.00080 -0.01263 0.02352 -0.01528 -0.00533 7 5PX 0.09548 0.03315 -0.26715 -0.02487 -0.03656 8 5PY 0.08077 0.04608 -0.05936 -0.00594 -0.00327 9 5PZ 0.02776 0.06055 -0.13227 0.05361 0.05507 10 6PX 0.83188 1.06995 1.42923 -2.95740 3.70583 11 6PY 1.20556 0.85626 -1.14825 -1.45332 -1.60456 12 6PZ 1.12002 -0.29292 0.54834 7.55351 -2.51988 13 7D 0 -0.01110 0.02438 0.00763 -0.02459 0.01034 14 7D+1 -0.02272 0.00263 -0.03004 -0.01951 -0.00361 15 7D-1 -0.02622 0.02032 0.00087 -0.01876 0.02363 16 7D+2 -0.00833 -0.01434 -0.03809 0.00597 -0.01051 17 7D-2 -0.00967 -0.02793 0.00290 0.01257 -0.01462 18 8D 0 -0.00290 0.00546 0.00428 -0.00317 0.00029 19 8D+1 -0.00508 -0.00006 -0.00733 -0.00344 0.00016 20 8D-1 -0.00646 0.00613 -0.00049 0.00118 0.00258 21 8D+2 -0.00325 -0.00350 -0.00555 0.00196 -0.00002 22 8D-2 -0.00164 -0.00672 0.00179 0.00019 -0.00138 23 2 Cu 1S -0.00007 0.00131 0.00225 -0.00001 -0.00139 24 2S 0.00381 -0.06624 0.02606 0.00010 -0.02776 25 3S 0.11561 -2.02330 0.33623 0.00512 -0.50008 26 4PX 0.00379 -0.01135 -0.01135 0.00764 -0.00872 27 4PY 0.00257 -0.00592 -0.00065 0.00537 -0.00613 28 4PZ 0.00486 0.00953 0.00688 0.01325 0.00804 29 5PX -0.01521 0.06853 0.03961 -0.05660 0.03309 30 5PY -0.01204 0.07186 0.00131 -0.03965 0.02653 31 5PZ -0.01517 -0.07129 -0.02364 -0.09736 -0.03391 32 6PX -1.05697 -1.69236 -1.20044 1.64830 0.57743 33 6PY -0.84503 0.41848 1.28197 1.14141 -3.88549 34 6PZ -2.01966 0.64943 0.16275 2.83430 1.41822 35 7D 0 -0.01415 -0.00477 -0.00240 0.00220 -0.01001 36 7D+1 0.00343 -0.03345 0.00745 -0.01739 -0.01789 37 7D-1 0.00810 -0.00309 0.00357 0.02306 -0.02005 38 7D+2 -0.00247 0.02620 -0.00506 -0.01986 -0.00956 39 7D-2 0.00892 0.00562 -0.00853 0.00572 0.00528 40 8D 0 -0.00051 -0.00031 0.00041 -0.00005 -0.00152 41 8D+1 -0.00019 -0.00460 0.00417 -0.00075 -0.00216 42 8D-1 0.00106 -0.00049 0.00215 0.00108 -0.00094 43 8D+2 -0.00084 0.00362 -0.00170 -0.00087 0.00016 44 8D-2 0.00048 0.00122 -0.00211 0.00033 -0.00078 45 3 Cu 1S -0.00139 0.00071 0.00062 0.00005 -0.00041 46 2S 0.03530 -0.01760 -0.03614 0.00086 -0.00969 47 3S 1.16677 -0.58581 -0.56943 0.02707 -0.25170 48 4PX 0.00250 0.01158 0.00127 -0.01460 0.00301 49 4PY 0.00483 0.00346 -0.01365 -0.00792 0.00388 50 4PZ -0.01600 0.00529 -0.05201 0.00092 0.00244 51 5PX -0.00062 -0.04305 -0.02647 0.05254 -0.05636 52 5PY -0.01634 -0.00935 0.11054 0.02593 -0.01228 53 5PZ 0.13449 -0.05565 0.28158 -0.00417 0.00956 54 6PX 0.72848 0.65076 0.71237 7.03470 4.85103 55 6PY -0.11946 0.49664 -1.62545 4.27857 -2.61377 56 6PZ 1.78372 -1.00169 -0.64623 -0.60156 -1.53445 57 7D 0 0.02622 -0.02201 -0.02324 -0.00467 -0.01465 58 7D+1 0.01868 0.03499 0.01389 0.03310 0.02275 59 7D-1 0.01646 0.01416 -0.03987 0.01989 -0.00516 60 7D+2 0.00918 0.01235 0.00721 0.00430 0.01356 61 7D-2 0.00208 -0.00676 0.00570 0.00162 -0.01087 62 8D 0 0.00592 -0.00513 -0.00497 -0.00056 -0.00022 63 8D+1 0.00378 0.00855 0.00179 0.00337 0.00160 64 8D-1 0.00504 0.00303 -0.00698 0.00150 0.00056 65 8D+2 0.00285 0.00416 0.00335 -0.00274 0.00113 66 8D-2 0.00042 -0.00242 0.00431 0.00238 -0.00173 67 4 Cu 1S 0.00001 0.00001 0.00104 0.00000 0.00006 68 2S -0.00028 0.00443 0.11402 0.00008 0.00116 69 3S -0.00971 0.10561 2.49100 0.00171 0.01350 70 4PX 0.00858 0.01446 -0.01510 -0.00001 0.00020 71 4PY 0.00613 0.00856 0.02725 0.00001 0.00003 72 4PZ 0.01676 -0.01053 -0.00239 0.00005 -0.00022 73 5PX -0.03923 -0.06500 0.10211 -0.00042 -0.00979 74 5PY -0.02772 -0.04091 -0.18677 -0.00046 -0.00527 75 5PZ -0.07633 0.04819 0.01728 -0.00111 0.01033 76 6PX -0.77727 -1.44491 -0.40526 0.10705 1.86648 77 6PY -0.57739 -0.59732 0.89434 0.07312 0.79223 78 6PZ -1.54569 0.96018 -0.12688 0.15873 -1.79128 79 7D 0 -0.00540 0.00330 0.02859 -0.00198 0.01159 80 7D+1 -0.00174 0.00584 -0.00447 0.00152 0.02183 81 7D-1 0.00584 -0.00089 0.00769 -0.00047 0.02497 82 7D+2 -0.00245 -0.00482 0.02826 0.00131 0.00315 83 7D-2 0.00379 0.00557 0.04211 0.00077 -0.01196 84 8D 0 -0.00051 0.00033 0.00536 -0.00009 0.00063 85 8D+1 0.00119 0.00040 -0.00079 0.00002 0.00121 86 8D-1 -0.00146 0.00156 0.00140 0.00004 0.00012 87 8D+2 0.00122 0.00151 0.00518 0.00000 -0.00067 88 8D-2 -0.00012 -0.00074 0.00791 0.00007 0.00022 89 5 Cu 1S 0.00107 -0.00049 0.00235 -0.00009 0.00097 90 2S -0.05800 0.02920 0.02059 -0.00235 0.02024 91 3S -1.76712 0.88418 0.18995 -0.04946 0.36878 92 4PX 0.00255 0.00535 -0.00288 -0.01453 -0.00201 93 4PY -0.00095 0.00396 0.00213 -0.00787 0.00105 94 4PZ -0.01424 0.00568 -0.01407 0.00059 0.00771 95 5PX -0.02344 -0.01323 0.01067 0.10743 0.01619 96 5PY 0.03898 -0.03308 -0.00743 0.05748 0.00108 97 5PZ 0.09959 -0.04405 0.05094 -0.00728 -0.03304 98 6PX -1.42776 -1.69153 -0.75205 -3.05288 -1.77301 99 6PY 0.12469 -1.25863 1.45917 -1.89833 1.71714 100 6PZ -1.29492 0.86899 -0.81067 0.22110 0.88130 101 7D 0 0.03435 -0.01985 -0.00886 -0.00038 -0.01116 102 7D+1 0.01718 0.00715 0.00074 0.00764 0.00040 103 7D-1 -0.00578 0.00991 -0.00458 0.00858 -0.00918 104 7D+2 -0.00364 -0.00753 -0.00166 0.02862 0.01409 105 7D-2 0.00147 0.00685 -0.00372 -0.01992 0.00503 106 8D 0 0.00525 -0.00272 -0.00478 0.00012 -0.00126 107 8D+1 0.00157 -0.00035 -0.00028 0.00014 -0.00134 108 8D-1 -0.00093 0.00053 -0.00115 0.00019 -0.00026 109 8D+2 -0.00035 -0.00124 0.00042 0.00140 0.00179 110 8D-2 0.00042 0.00078 0.00049 -0.00111 0.00036 111 6 Cu 1S -0.00002 0.00000 -0.00575 0.00000 -0.00030 112 2S 0.00032 -0.00282 -0.05309 -0.00002 -0.00096 113 3S 0.00256 -0.05461 -1.47794 -0.00046 -0.02677 114 4PX 0.00840 0.01430 0.00390 0.00074 0.01324 115 4PY 0.00595 0.00743 -0.00884 0.00049 0.00446 116 4PZ 0.01629 -0.01002 0.00134 0.00114 -0.01211 117 5PX -0.05349 -0.09191 -0.11678 -0.00378 -0.06925 118 5PY -0.03751 -0.04400 0.23278 -0.00227 -0.01230 119 5PZ -0.10387 0.06321 -0.02855 -0.00568 0.05765 120 6PX 2.04737 3.73225 0.77354 -0.32590 -5.61629 121 6PY 1.50248 1.67788 -1.72605 -0.22372 -2.50299 122 6PZ 4.05211 -2.52593 0.24643 -0.48357 5.45169 123 7D 0 0.01244 -0.00221 0.00937 0.00014 -0.00003 124 7D+1 -0.01555 -0.00994 -0.00099 -0.00042 -0.00068 125 7D-1 0.01561 -0.01931 0.00349 0.00056 -0.00755 126 7D+2 -0.01574 -0.01291 0.00997 -0.00051 -0.00462 127 7D-2 -0.00231 0.01318 0.01280 0.00013 0.00544 128 8D 0 0.00361 -0.00065 0.00789 0.00009 -0.00005 129 8D+1 -0.00367 -0.00328 -0.00115 -0.00023 -0.00046 130 8D-1 0.00328 -0.00475 0.00262 0.00029 -0.00443 131 8D+2 -0.00367 -0.00245 0.00807 -0.00027 -0.00258 132 8D-2 -0.00093 0.00318 0.01126 0.00006 0.00335 133 7 Cu 1S -0.00100 -0.00062 0.00231 0.00011 0.00069 134 2S 0.05480 0.03574 0.02074 0.00234 0.01357 135 3S 1.66663 1.08255 0.19715 0.04539 0.24029 136 4PX -0.01233 -0.00404 0.00866 0.00594 -0.00528 137 4PY -0.00593 -0.00237 0.01027 0.00182 -0.00185 138 4PZ -0.00230 -0.00846 0.00581 -0.01527 -0.00045 139 5PX 0.09739 0.04803 -0.03171 -0.04669 0.02576 140 5PY 0.01623 0.00433 -0.03721 -0.01448 0.00974 141 5PZ 0.03091 0.04650 -0.02181 0.11154 -0.00722 142 6PX -0.03605 -1.21479 -0.25946 1.24009 -1.59788 143 6PY -1.14547 -1.05167 1.81892 0.64757 0.89884 144 6PZ -1.64083 1.51987 0.05099 -3.31708 0.42826 145 7D 0 0.00398 0.01646 -0.00122 0.00087 0.00461 146 7D+1 -0.02170 0.00112 -0.00494 0.00832 -0.01410 147 7D-1 -0.01518 -0.01188 -0.00203 -0.03173 0.00479 148 7D+2 0.00689 -0.00431 -0.00670 -0.00980 -0.00124 149 7D-2 -0.02511 -0.01891 -0.00667 0.01288 -0.00113 150 8D 0 0.00103 0.00129 0.00161 0.00036 -0.00007 151 8D+1 -0.00260 -0.00065 -0.00311 0.00053 -0.00210 152 8D-1 -0.00177 -0.00236 -0.00160 -0.00152 0.00018 153 8D+2 0.00034 -0.00048 -0.00170 -0.00048 0.00092 154 8D-2 -0.00408 -0.00233 -0.00271 0.00049 -0.00034 155 8 Cu 1S 0.00009 -0.00162 0.00070 0.00001 0.00082 156 2S -0.00236 0.03906 -0.03888 -0.00009 0.01111 157 3S -0.07405 1.30540 -0.65353 -0.00364 0.32784 158 4PX 0.00694 -0.01531 -0.03455 0.00820 -0.00574 159 4PY 0.00445 -0.00263 -0.02577 0.00578 -0.00467 160 4PZ 0.00993 0.01086 0.03053 0.01423 0.00460 161 5PX -0.02782 0.12549 0.16971 -0.03222 0.02334 162 5PY -0.01670 0.03322 0.17589 -0.02286 -0.01792 163 5PZ -0.03147 -0.08938 -0.17015 -0.05563 0.00293 164 6PX 0.36960 1.84751 0.10804 -3.68099 -1.79420 165 6PY 0.35661 -0.00553 -1.82805 -2.55575 7.30464 166 6PZ 0.88190 -1.01519 0.70218 -6.33387 -2.56388 167 7D 0 -0.03356 0.00093 0.00007 0.02861 0.00837 168 7D+1 0.02408 -0.02078 0.01772 -0.01340 -0.01089 169 7D-1 -0.00874 -0.00828 0.03351 -0.00101 -0.01714 170 7D+2 0.01935 0.01643 0.01496 -0.01024 -0.00764 171 7D-2 0.01244 0.01702 -0.02999 -0.01382 0.02654 172 8D 0 -0.00770 0.00069 0.00223 0.00350 0.00133 173 8D+1 0.00628 -0.00433 0.00519 0.00028 0.00067 174 8D-1 -0.00309 -0.00259 0.00756 -0.00281 0.00021 175 8D+2 0.00539 0.00316 0.00352 0.00096 -0.00037 176 8D-2 0.00243 0.00505 -0.00347 -0.00249 0.00162 177 9 C 1S -0.00001 0.00030 -0.00487 -0.00001 -0.00064 178 2S 0.00017 -0.00223 -0.00644 0.00002 0.00179 179 3S -0.00102 0.00742 0.11063 0.00019 0.00239 180 4PX -0.04247 -0.07983 0.00960 0.00416 0.07358 181 4PY -0.03168 -0.03250 -0.01556 0.00280 0.02690 182 4PZ -0.08412 0.05271 0.00060 0.00598 -0.06832 183 5PX -0.05746 -0.10557 -0.04991 0.00503 0.08543 184 5PY -0.04183 -0.04788 0.10301 0.00350 0.04287 185 5PZ -0.11305 0.07145 -0.01410 0.00724 -0.08474 186 10 O 1S 0.00018 -0.00107 0.01233 0.00001 0.00119 187 2S -0.00054 0.00341 -0.03720 -0.00003 -0.00374 188 3S -0.00082 0.00352 -0.05825 -0.00004 -0.00424 189 4PX -0.02085 -0.03752 0.00104 0.00061 0.01397 190 4PY -0.01531 -0.01692 -0.00191 0.00038 0.00618 191 4PZ -0.04112 0.02540 0.00062 0.00072 -0.01255 192 5PX 0.00554 0.01259 -0.00256 -0.00088 -0.01504 193 5PY 0.00454 0.00247 0.00463 -0.00061 -0.00351 194 5PZ 0.01120 -0.00729 -0.00003 -0.00131 0.01328 116 117 118 119 120 V V V V V EIGENVALUES -- 0.08574 0.10489 0.10510 0.10590 0.10815 1 1 Cu 1S -0.00069 0.00019 -0.00010 0.00001 0.00162 2 2S -0.01128 -0.00077 0.00443 0.00008 -0.02307 3 3S -0.31823 -0.08283 0.06738 0.00071 -0.91027 4 4PX -0.00750 -0.01819 -0.01804 -0.01680 0.01975 5 4PY -0.00202 0.01861 0.02290 -0.00464 0.05964 6 4PZ 0.00018 0.01225 -0.01685 0.03612 0.01584 7 5PX 0.00291 0.12033 0.11927 0.11351 -0.14458 8 5PY 0.02814 -0.10095 -0.11889 0.03215 -0.37799 9 5PZ -0.03062 -0.07997 0.11674 -0.24375 -0.11087 10 6PX 4.78634 -0.57041 0.54615 -1.14016 0.08160 11 6PY -5.01355 -0.12084 -0.18448 -0.38164 1.79230 12 6PZ 2.45624 1.40717 -0.89561 2.55127 0.14902 13 7D 0 -0.00381 -0.01850 -0.04501 0.03896 -0.02898 14 7D+1 -0.01513 0.02177 0.00497 0.04519 0.02241 15 7D-1 -0.00811 -0.00837 0.00943 -0.01519 -0.00888 16 7D+2 -0.02835 -0.02785 -0.03072 -0.02748 0.00791 17 7D-2 -0.00151 -0.01934 -0.02902 -0.00352 -0.03681 18 8D 0 -0.00119 -0.00456 -0.01377 0.01292 -0.00705 19 8D+1 0.00070 0.00666 0.00125 0.01412 0.00516 20 8D-1 -0.00085 -0.00140 0.00173 -0.00255 -0.00229 21 8D+2 -0.00145 -0.00826 -0.00865 -0.00832 0.00205 22 8D-2 0.00016 -0.00654 -0.00873 -0.00215 -0.00926 23 2 Cu 1S -0.00018 -0.00104 -0.00006 -0.00003 0.00536 24 2S -0.00341 0.02208 -0.00230 0.00022 0.07944 25 3S -0.05829 0.58751 -0.03629 0.00919 0.78835 26 4PX -0.00268 0.01763 -0.01151 -0.03781 0.01094 27 4PY -0.00190 -0.09180 -0.00423 -0.02807 -0.03135 28 4PZ -0.00184 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-0.00021 -0.00051 0.00012 0.00000 -0.00546 69 3S -0.00516 -0.01205 -0.00028 -0.00026 0.06134 70 4PX -0.00003 0.05906 0.03354 0.00139 0.01629 71 4PY -0.00007 0.02250 0.02527 0.00071 -0.04177 72 4PZ -0.00005 -0.04074 0.06255 0.00040 0.00947 73 5PX -0.00726 -0.43749 -0.25108 -0.01041 -0.09653 74 5PY -0.00452 -0.17202 -0.18745 -0.00539 0.26859 75 5PZ -0.00964 0.30385 -0.46715 -0.00298 -0.06817 76 6PX 1.49525 1.62574 0.93682 0.04125 0.51855 77 6PY 0.99365 0.57087 0.71536 0.02134 -1.38916 78 6PZ 1.98974 -1.09445 1.74302 0.01821 0.33213 79 7D 0 -0.02422 0.00133 -0.00173 -0.00003 0.01696 80 7D+1 0.02041 0.00013 0.00819 0.00008 -0.00221 81 7D-1 -0.00467 0.01060 -0.01092 0.00003 0.00339 82 7D+2 0.01633 0.01151 0.00853 0.00028 0.01563 83 7D-2 0.00847 -0.00611 -0.00268 -0.00010 0.02548 84 8D 0 -0.00109 0.00037 -0.00070 -0.00002 0.00396 85 8D+1 0.00018 0.00017 0.00321 0.00003 -0.00040 86 8D-1 0.00074 0.00420 -0.00425 0.00000 0.00077 87 8D+2 -0.00025 0.00436 0.00340 0.00011 0.00353 88 8D-2 0.00078 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1.65078 0.11191 11 6PY -4.19470 -3.43546 0.71651 1.38302 0.61941 12 6PZ -1.51686 6.06331 0.32425 1.06044 0.11858 13 7D 0 0.01143 -0.00832 -0.03093 0.00810 -0.04997 14 7D+1 -0.00303 -0.01107 -0.03259 0.03844 0.05511 15 7D-1 0.00649 -0.01245 0.06009 0.01558 0.03006 16 7D+2 -0.00568 0.00004 0.02445 -0.02009 -0.00358 17 7D-2 -0.00267 0.00794 0.02453 0.07650 0.02712 18 8D 0 0.00174 -0.00256 -0.01077 0.00256 -0.01889 19 8D+1 0.00244 -0.00252 -0.00915 0.01226 0.01589 20 8D-1 -0.00129 0.00062 0.01320 0.00576 0.01180 21 8D+2 0.00101 0.00292 0.00743 -0.00412 -0.00966 22 8D-2 -0.00094 -0.00040 0.00830 0.01971 0.00985 23 2 Cu 1S 0.00001 0.00068 -0.00855 -0.00054 -0.00374 24 2S 0.00007 0.01224 -0.03462 -0.00225 0.00302 25 3S 0.00176 0.17156 -0.07493 -0.00375 0.46545 26 4PX 0.02073 0.00381 -0.00909 -0.04270 0.03952 27 4PY 0.01471 -0.01465 -0.02820 -0.03141 -0.05810 28 4PZ 0.03566 0.00375 0.02373 -0.07098 0.00062 29 5PX -0.17795 -0.01673 0.13446 0.47028 -0.71536 30 5PY -0.12616 0.13257 0.32685 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-0.03504 -0.06891 -0.05024 -0.00679 71 4PY -0.01596 -0.01637 -0.03128 -0.03426 0.01321 72 4PZ -0.03893 0.02702 0.06035 -0.07497 -0.00155 73 5PX 0.18127 0.27986 0.71198 0.51928 0.09517 74 5PY 0.12737 0.13050 0.32331 0.35408 -0.18279 75 5PZ 0.31081 -0.21556 -0.62352 0.77471 0.02089 76 6PX 2.09442 3.30564 -0.96792 -0.70858 0.18407 77 6PY 1.47389 1.52777 -0.44001 -0.48214 -0.30541 78 6PZ 3.61106 -2.54994 0.84819 -1.05749 0.01320 79 7D 0 0.01894 -0.00566 0.00861 -0.02294 -0.00664 80 7D+1 -0.02085 -0.01676 0.01910 0.02663 0.00048 81 7D-1 0.01628 -0.02761 0.03458 -0.01741 -0.00189 82 7D+2 -0.02066 -0.01352 0.01446 0.02600 -0.00599 83 7D-2 -0.00429 0.01626 -0.01966 0.00408 -0.00923 84 8D 0 0.00133 0.00008 0.00083 -0.00223 0.00059 85 8D+1 -0.00689 -0.00020 0.00181 0.00294 -0.00020 86 8D-1 0.00885 -0.00883 0.00386 -0.00214 0.00011 87 8D+2 -0.00776 -0.00814 0.00187 0.00295 0.00067 88 8D-2 0.00195 0.00693 -0.00225 0.00022 0.00099 89 5 Cu 1S 0.00059 -0.00034 0.00473 -0.00724 -0.00355 90 2S 0.01047 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0.00593 0.01529 0.02670 0.00349 0.06469 150 8D 0 0.00166 -0.00466 -0.00377 -0.00253 -0.00046 151 8D+1 -0.00172 -0.00364 0.00222 0.00518 -0.00295 152 8D-1 0.00491 -0.00623 -0.00456 0.00554 0.00950 153 8D+2 -0.00683 -0.00349 -0.00001 0.00190 -0.01223 154 8D-2 -0.00209 0.00365 0.00459 0.00196 0.01629 155 8 Cu 1S 0.00000 -0.00083 0.01090 0.00068 -0.00720 156 2S 0.00002 -0.01806 0.12274 0.00776 -0.10123 157 3S -0.00092 -0.40664 2.19506 0.14026 -2.28857 158 4PX -0.01593 -0.01045 0.04680 -0.00017 0.01621 159 4PY -0.01124 0.04189 0.00543 -0.00203 -0.01821 160 4PZ -0.02750 -0.01109 -0.02885 -0.00739 -0.00223 161 5PX 0.13264 0.08875 -0.43501 0.05562 -0.20864 162 5PY 0.09366 -0.34706 -0.03785 0.05820 0.38821 163 5PZ 0.22917 0.09047 0.25386 0.16167 -0.03456 164 6PX -3.12164 -1.62843 2.13586 0.23892 -0.57354 165 6PY -2.20820 7.40575 0.56969 0.10590 0.31414 166 6PZ -5.37805 -2.09535 -1.49284 0.07930 0.19663 167 7D 0 0.01628 -0.00303 -0.00898 0.03457 -0.02862 168 7D+1 -0.01045 -0.00599 0.05653 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188 3S -0.00027 -0.00053 -0.00394 0.00094 -0.20900 189 4PX -0.00928 -0.01910 0.00256 0.00034 0.00197 190 4PY -0.00666 -0.00819 0.00053 0.00040 0.00872 191 4PZ -0.01596 0.01435 -0.00153 0.00011 -0.00570 192 5PX -0.00016 0.00044 0.00128 -0.00003 -0.05519 193 5PY 0.00003 -0.00217 -0.00010 0.00015 0.10888 194 5PZ -0.00041 0.00075 -0.00074 -0.00005 -0.01411 126 127 128 129 130 V V V V V EIGENVALUES -- 0.21406 0.22796 0.22849 0.24393 0.24889 1 1 Cu 1S 0.01943 0.00206 0.00134 0.00007 -0.00421 2 2S 0.10363 0.01283 0.00737 0.00031 -0.00911 3 3S 1.31106 -0.45980 -0.31531 -0.01071 0.81043 4 4PX -0.00582 0.05893 0.00438 -0.03753 0.05044 5 4PY 0.02093 -0.03669 -0.03689 -0.01211 -0.05296 6 4PZ 0.00056 -0.02283 0.06306 0.08300 0.03568 7 5PX 0.17594 -0.85166 -0.07085 0.76260 -1.04417 8 5PY -0.48425 0.60797 0.58050 0.24718 0.92036 9 5PZ 0.01212 0.33369 -0.90011 -1.68500 -0.79151 10 6PX -0.27257 1.19550 0.25451 -1.59406 1.57406 11 6PY 0.24248 -0.69927 -0.66430 -0.51391 -2.08735 12 6PZ -0.04482 -0.28586 1.05793 3.53339 1.17129 13 7D 0 0.01382 -0.02343 -0.05046 0.04476 0.01056 14 7D+1 -0.02448 0.04917 -0.01513 0.02314 0.04010 15 7D-1 -0.00917 -0.01829 0.02769 0.06540 0.00597 16 7D+2 -0.01595 -0.02503 0.01573 -0.00569 0.06567 17 7D-2 -0.01264 -0.02622 -0.02495 -0.03621 -0.00355 18 8D 0 0.00404 -0.00797 -0.01015 0.01820 0.00497 19 8D+1 -0.00953 0.01448 0.00005 0.00960 0.01951 20 8D-1 -0.00074 -0.00741 0.01049 0.02618 0.00402 21 8D+2 -0.00967 -0.00047 0.00683 -0.00246 0.02087 22 8D-2 -0.00118 -0.00488 -0.00816 -0.01461 0.00049 23 2 Cu 1S 0.00574 0.00010 -0.00209 0.00000 -0.00077 24 2S 0.02849 0.00006 -0.00326 0.00008 0.00069 25 3S -2.83428 -0.01524 0.54339 0.00414 0.14884 26 4PX -0.02139 -0.02512 -0.00777 0.01412 -0.00094 27 4PY 0.01794 -0.02045 0.04124 0.01006 0.00225 28 4PZ 0.00442 -0.04322 -0.01616 0.02428 -0.00408 29 5PX 0.60218 0.54053 0.14129 -0.42730 0.07025 30 5PY -0.08001 0.44453 -0.98056 -0.30405 -0.05775 31 5PZ -0.30451 0.92621 0.40207 -0.73448 0.17776 32 6PX 0.73777 -0.47562 -0.23420 0.80337 -0.34944 33 6PY -0.10353 -0.39334 0.84593 0.57040 -0.02721 34 6PZ -0.39309 -0.81405 -0.28524 1.38550 -0.55419 35 7D 0 -0.00897 0.09607 0.04512 -0.02710 -0.00032 36 7D+1 -0.00697 -0.04796 -0.01140 0.05737 -0.02683 37 7D-1 -0.04056 0.00365 -0.04644 -0.06294 0.01901 38 7D+2 -0.03781 -0.03716 -0.01538 0.06142 -0.03161 39 7D-2 0.01658 -0.05242 0.09982 -0.00530 0.01195 40 8D 0 0.00384 0.01921 0.00017 -0.02051 0.00541 41 8D+1 0.00422 -0.01651 -0.01022 0.01959 -0.00536 42 8D-1 0.01081 0.01221 -0.02283 -0.01365 -0.00143 43 8D+2 0.00793 -0.01551 -0.01500 0.01892 -0.00506 44 8D-2 -0.00331 -0.00707 0.01849 0.00582 0.00062 45 3 Cu 1S 0.01932 -0.00240 0.00110 0.00000 0.00451 46 2S 0.10339 -0.01432 0.00598 0.00000 0.00562 47 3S 1.34997 0.48265 -0.25642 0.00269 -1.10371 48 4PX -0.01091 -0.05695 -0.04182 0.08068 -0.02778 49 4PY 0.01810 0.04130 -0.05956 0.04270 0.08395 50 4PZ -0.00686 0.01834 -0.00193 -0.00828 0.02657 51 5PX 0.25290 0.85179 0.58127 -1.63799 0.48023 52 5PY -0.44693 -0.65368 0.88635 -0.86720 -1.61716 53 5PZ 0.12558 -0.22079 0.00926 0.16787 -0.67650 54 6PX -0.20377 -1.02189 -0.60028 3.43592 -1.01930 55 6PY 0.31539 0.88102 -1.06302 1.81963 3.01367 56 6PZ 0.10866 0.46156 -0.12457 -0.35021 0.56136 57 7D 0 -0.03180 0.00141 0.00491 0.01256 -0.03314 58 7D+1 0.00092 -0.01465 -0.02344 -0.06902 0.02455 59 7D-1 -0.01406 -0.01145 -0.00303 -0.04055 -0.07821 60 7D+2 0.00623 0.05577 0.02472 -0.03676 -0.00265 61 7D-2 0.00806 0.03406 -0.05632 0.01614 -0.00748 62 8D 0 -0.00927 -0.00330 0.00210 0.00505 -0.01549 63 8D+1 0.00338 0.00090 -0.00237 -0.02787 0.00499 64 8D-1 -0.00990 -0.00680 0.00446 -0.01634 -0.02813 65 8D+2 0.00279 0.01539 0.00800 -0.01454 0.00078 66 8D-2 0.00245 0.00784 -0.01492 0.00638 -0.00270 67 4 Cu 1S 0.00157 -0.00005 0.00001 0.00000 -0.00029 68 2S 0.00029 -0.00056 0.00075 0.00002 0.00099 69 3S -0.94869 0.00143 0.02046 0.00067 0.09803 70 4PX 0.00724 0.02237 0.04056 -0.00003 0.01320 71 4PY -0.01627 0.01609 0.01975 0.00001 0.01213 72 4PZ 0.00266 0.04368 -0.02784 0.00009 0.03225 73 5PX -0.07585 -0.44411 -0.80994 0.00115 -0.37392 74 5PY 0.20004 -0.32036 -0.39333 0.00017 -0.33284 75 5PZ -0.04262 -0.86801 0.55570 -0.00130 -0.90514 76 6PX 0.01089 0.50087 0.91938 -0.00102 0.59161 77 6PY -0.17933 0.36668 0.42728 -0.00009 0.42946 78 6PZ 0.07490 0.97928 -0.62178 0.00506 1.35545 79 7D 0 0.01052 -0.02812 0.01277 0.00005 0.05418 80 7D+1 -0.00069 -0.04769 0.03392 -0.00002 -0.05601 81 7D-1 0.00596 0.08660 -0.05345 0.00005 0.06016 82 7D+2 0.01170 -0.05344 -0.08574 -0.00006 -0.05708 83 7D-2 0.01361 0.03428 0.06025 -0.00003 -0.01734 84 8D 0 0.00175 0.00495 -0.00032 -0.00001 0.00471 85 8D+1 -0.00004 -0.01578 -0.00349 -0.00001 -0.02109 86 8D-1 0.00171 0.02028 -0.02002 0.00001 0.03004 87 8D+2 0.00234 -0.01661 -0.01910 0.00006 -0.02106 88 8D-2 0.00153 0.00241 0.01605 -0.00004 0.00252 89 5 Cu 1S 0.00440 -0.00182 0.00098 -0.00010 0.00351 90 2S 0.02585 -0.00286 0.00197 -0.00069 0.00034 91 3S -2.83329 0.53555 -0.25973 0.00337 -0.53559 92 4PX -0.01101 -0.03845 -0.03360 -0.02612 0.00957 93 4PY 0.01883 0.02329 -0.03981 -0.01382 -0.02200 94 4PZ -0.01578 0.01539 -0.00201 0.00255 -0.00719 95 5PX 0.14752 0.86014 0.71486 0.79196 -0.31731 96 5PY -0.18455 -0.57755 0.89784 0.42164 0.78320 97 5PZ 0.65481 -0.40272 0.07892 -0.07985 0.25279 98 6PX 0.29308 -0.80462 -0.61165 -1.49208 0.42429 99 6PY -0.36531 0.56844 -0.79425 -0.79047 -1.39835 100 6PZ 0.75558 0.22830 -0.00709 0.14956 -0.33012 101 7D 0 0.00319 0.05299 -0.00455 0.00847 -0.03048 102 7D+1 -0.01905 -0.08787 -0.07739 -0.04422 0.02819 103 7D-1 0.04371 0.05386 -0.09199 -0.03307 -0.08464 104 7D+2 -0.01656 0.01303 -0.02127 -0.07932 0.02125 105 7D-2 -0.01857 0.03887 -0.02493 0.04817 0.04752 106 8D 0 -0.00544 0.01411 -0.00190 0.00469 -0.01314 107 8D+1 0.00488 -0.02180 -0.01590 -0.02578 0.01002 108 8D-1 -0.01205 0.02002 -0.02601 -0.01590 -0.03117 109 8D+2 0.00624 -0.01352 -0.01057 -0.01879 0.00558 110 8D-2 0.00591 -0.00170 0.00933 0.00957 0.00504 111 6 Cu 1S -0.05667 0.00037 -0.00028 0.00000 -0.00037 112 2S -0.36623 0.00187 -0.00051 0.00000 -0.00328 113 3S 5.83827 -0.05527 0.08609 -0.00009 -0.06751 114 4PX 0.02998 0.03304 0.05727 0.00023 -0.04205 115 4PY -0.05044 0.02453 0.02701 0.00007 -0.03195 116 4PZ 0.00434 0.06588 -0.03944 -0.00035 -0.09716 117 5PX 0.54954 -0.55827 -0.93481 -0.00408 0.77333 118 5PY -1.21839 -0.38727 -0.46884 -0.00112 0.56861 119 5PZ 0.17158 -1.09516 0.65410 0.00588 1.76930 120 6PX -1.01316 0.29018 0.39212 0.00414 -1.09382 121 6PY 2.25129 0.18231 0.22314 0.00142 -0.83212 122 6PZ -0.34448 0.56569 -0.28993 -0.00631 -2.52558 123 7D 0 -0.00002 -0.05248 0.01567 0.00012 0.01774 124 7D+1 0.00073 0.00793 0.05369 0.00002 -0.03257 125 7D-1 0.00320 0.01934 0.01618 0.00028 0.04140 126 7D+2 0.00357 0.00458 -0.02587 0.00001 -0.03305 127 7D-2 -0.00227 0.03061 0.00673 -0.00015 -0.00254 128 8D 0 -0.03083 -0.01491 0.00370 -0.00004 0.00409 129 8D+1 0.00544 0.00296 0.01507 0.00004 -0.01174 130 8D-1 -0.00954 0.00476 0.00520 0.00010 0.01569 131 8D+2 -0.03103 0.00248 -0.00684 0.00001 -0.01210 132 8D-2 -0.04444 0.00920 0.00021 0.00001 -0.00013 133 7 Cu 1S 0.00445 0.00173 0.00121 0.00010 -0.00370 134 2S 0.02492 0.00300 0.00259 0.00065 -0.00004 135 3S -2.86084 -0.46547 -0.31539 -0.00642 0.60034 136 4PX 0.00105 0.04038 0.00004 0.01203 -0.01642 137 4PY 0.02659 -0.01969 -0.02162 0.00380 0.01289 138 4PZ 0.00322 -0.01759 0.04660 -0.02673 -0.00745 139 5PX -0.38337 -0.95727 -0.05628 -0.36603 0.54896 140 5PY -0.54240 0.45163 0.48228 -0.11877 -0.47050 141 5PZ -0.22499 0.34158 -1.03409 0.81078 0.28408 142 6PX -0.30092 0.79907 0.00061 0.68955 -0.73088 143 6PY -0.79327 -0.50174 -0.47394 0.22149 0.94556 144 6PZ -0.28053 -0.33612 0.87397 -1.53146 -0.60955 145 7D 0 -0.01335 0.01808 -0.08344 0.01805 -0.03279 146 7D+1 0.02727 0.00279 -0.06800 -0.01320 0.05110 147 7D-1 -0.00987 0.04052 -0.04488 0.09551 0.01481 148 7D+2 0.03264 -0.10591 -0.03756 0.01792 0.06378 149 7D-2 -0.02661 -0.04430 0.02071 -0.04242 -0.03719 150 8D 0 0.00645 0.01386 -0.00891 0.01576 -0.00275 151 8D+1 -0.01100 -0.01377 -0.01681 0.00615 0.01961 152 8D-1 0.00232 0.01667 -0.01926 0.02923 0.00049 153 8D+2 -0.00997 -0.02342 -0.01402 -0.00013 0.02395 154 8D-2 0.00456 -0.00292 0.01454 -0.01530 -0.00567 155 8 Cu 1S 0.01912 0.00005 -0.00244 -0.00007 -0.00079 156 2S 0.10190 0.00068 -0.01595 -0.00039 -0.00343 157 3S 1.25902 -0.02997 0.51119 0.00624 0.05191 158 4PX -0.01211 -0.03353 -0.01789 -0.04335 0.01683 159 4PY 0.01187 -0.02806 0.06970 -0.03071 -0.00075 160 4PZ 0.00165 -0.05806 -0.02299 -0.07479 0.02866 161 5PX 0.25585 0.47392 0.33290 0.88135 -0.34198 162 5PY -0.32550 0.40626 -1.07402 0.62354 -0.01563 163 5PZ -0.00779 0.83094 0.31592 1.51748 -0.63370 164 6PX -0.01895 -0.55296 -0.26349 -1.84627 0.65189 165 6PY 0.05912 -0.47432 1.45403 -1.30877 -0.01063 166 6PZ -0.01732 -0.95120 -0.51287 -3.18629 1.03807 167 7D 0 0.00442 0.03156 0.03899 -0.05739 0.01985 168 7D+1 0.02522 0.01146 0.02293 0.04592 -0.01764 169 7D-1 0.01617 -0.04356 0.02983 -0.02501 0.00185 170 7D+2 -0.00607 0.01943 0.03200 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-0.03935 15 7D-1 -0.02665 -0.04475 0.06577 -0.06619 -0.00108 16 7D+2 0.05194 0.05956 0.02662 -0.01804 0.04193 17 7D-2 0.00676 -0.07342 -0.01638 0.03342 0.05718 18 8D 0 -0.00836 0.00940 -0.01307 -0.00273 0.02243 19 8D+1 0.00412 -0.00443 0.00208 0.02562 -0.01992 20 8D-1 -0.00824 -0.01915 0.03216 -0.02989 0.00049 21 8D+2 0.02052 0.01871 0.01391 -0.00963 0.00032 22 8D-2 0.00542 -0.03096 -0.00356 0.01762 0.01548 23 2 Cu 1S 0.00554 0.01434 -0.00018 0.00116 -0.00143 24 2S 0.00047 -0.04680 -0.02057 0.16152 -0.06173 25 3S -0.93264 -3.84891 -0.93732 7.39377 -2.57141 26 4PX 0.00112 -0.04874 -0.02367 0.09282 -0.02907 27 4PY -0.02784 -0.01813 -0.00672 -0.01008 -0.02852 28 4PZ 0.01041 0.03581 -0.01357 -0.05378 0.02836 29 5PX -0.06679 1.03061 0.56896 -2.57913 0.77366 30 5PY 0.94460 0.39859 0.14314 0.13108 0.78780 31 5PZ -0.32993 -0.76183 0.21873 1.52678 -0.76716 32 6PX 0.36059 0.54168 0.18202 -0.73492 0.12028 33 6PY -1.53379 0.01130 0.09031 -0.19189 0.17727 34 6PZ 0.32886 -0.32750 0.08543 0.53643 -0.14081 35 7D 0 0.02041 0.02153 0.05572 -0.01657 -0.03353 36 7D+1 0.03427 0.05756 0.01085 -0.05696 0.03763 37 7D-1 0.08745 0.04201 -0.04221 -0.00683 0.02780 38 7D+2 0.05402 -0.00305 0.00899 0.04153 -0.02922 39 7D-2 -0.03990 -0.01161 -0.03369 -0.02719 -0.08728 40 8D 0 0.00091 -0.00138 0.00446 -0.00719 0.00045 41 8D+1 0.01048 0.01160 0.00143 -0.03276 0.00996 42 8D-1 0.02666 -0.00003 0.00181 -0.00299 0.00139 43 8D+2 0.01472 -0.01197 -0.00561 0.02303 -0.00795 44 8D-2 -0.02279 -0.00549 -0.00096 -0.00172 -0.00296 45 3 Cu 1S -0.00078 -0.00019 -0.01097 0.00419 -0.01619 46 2S 0.00803 0.05330 0.00932 -0.00771 -0.12232 47 3S 0.74890 3.40699 4.17509 -1.83084 -1.90242 48 4PX 0.04347 0.01110 0.01057 0.04576 -0.00627 49 4PY -0.01754 -0.02461 0.02242 0.01723 0.01859 50 4PZ -0.01593 -0.00040 -0.00880 -0.00004 0.03503 51 5PX -0.90804 -0.39469 -0.36941 -1.77505 0.28841 52 5PY 0.29943 0.82816 -0.96963 -0.62177 -0.70602 53 5PZ 0.38281 -0.02905 0.10066 0.12122 -0.82920 54 6PX 1.54626 -0.07470 -0.05344 -0.40375 0.32938 55 6PY -0.67324 0.06129 -0.14971 -0.14026 -0.64761 56 6PZ -0.33964 -0.01299 0.50075 -0.17319 -0.43436 57 7D 0 0.01346 -0.05744 -0.03250 0.01706 0.01031 58 7D+1 -0.03630 -0.04665 -0.00769 -0.01217 -0.01343 59 7D-1 0.02020 0.07396 -0.02034 -0.01159 0.00501 60 7D+2 -0.01469 -0.01048 -0.02066 -0.08844 0.06034 61 7D-2 0.01023 -0.00360 0.04175 0.04690 0.08922 62 8D 0 0.00763 -0.02887 -0.01925 0.00880 -0.00512 63 8D+1 -0.01845 -0.01720 -0.00338 -0.00230 0.00072 64 8D-1 0.00397 0.02527 -0.00778 -0.00467 -0.01006 65 8D+2 -0.00263 -0.00321 -0.01118 -0.04232 0.01913 66 8D-2 0.00094 0.00017 0.01855 0.02364 0.02574 67 4 Cu 1S 0.00063 0.01087 -0.00010 0.00006 0.01054 68 2S -0.00547 -0.08907 -0.00159 0.00200 0.18641 69 3S -0.33095 -5.36295 -0.04918 0.08338 6.53422 70 4PX 0.03054 0.04150 -0.00993 -0.02291 -0.05150 71 4PY 0.00775 -0.07967 -0.00875 -0.00945 0.09672 72 4PZ -0.01580 0.00893 -0.02436 0.01276 -0.00984 73 5PX -0.85320 -1.01577 0.18519 0.44732 1.28021 74 5PY -0.26567 1.97069 0.16928 0.17866 -2.41748 75 5PZ 0.45756 -0.22747 0.45858 -0.24675 0.24820 76 6PX 1.18135 -0.52599 0.05206 0.10171 0.24461 77 6PY 0.61780 0.88919 0.04510 0.04403 -0.42664 78 6PZ -0.71727 -0.04292 0.12944 -0.05783 0.03135 79 7D 0 -0.00680 0.02654 0.06352 -0.01625 -0.06171 80 7D+1 -0.05547 -0.00140 0.00405 -0.06325 0.00913 81 7D-1 -0.07284 0.01139 -0.03457 -0.01239 -0.01754 82 7D+2 -0.04377 0.02579 0.00180 0.03988 -0.06124 83 7D-2 0.04913 0.03456 -0.03646 -0.02174 -0.09049 84 8D 0 0.00128 0.01655 0.00140 -0.00059 -0.01220 85 8D+1 -0.00399 -0.00254 0.00157 -0.00143 0.00180 86 8D-1 -0.02331 0.00597 -0.00297 0.00169 -0.00357 87 8D+2 -0.02617 0.01731 0.00158 0.00350 -0.01234 88 8D-2 0.02243 0.02327 -0.00101 -0.00263 -0.01771 89 5 Cu 1S -0.00077 0.01531 0.00154 -0.00027 -0.00186 90 2S -0.00305 -0.04480 0.15124 -0.06235 -0.05923 91 3S -0.08305 -3.92838 6.83818 -2.89230 -2.33368 92 4PX -0.00761 -0.00356 0.01654 -0.03047 0.00573 93 4PY 0.00933 -0.00515 -0.03380 0.00110 -0.01812 94 4PZ -0.00091 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114 4PX -0.08843 0.01975 0.01754 0.04040 0.03909 115 4PY -0.04368 -0.02727 0.01425 0.01812 -0.07392 116 4PZ 0.05266 -0.00176 0.04217 -0.02305 0.00806 117 5PX 1.60756 -0.81474 -0.71485 -1.58158 -1.23797 118 5PY 0.76399 1.35891 -0.55471 -0.72828 2.34341 119 5PZ -0.94610 -0.06210 -1.69277 0.90547 -0.26604 120 6PX -2.29713 -0.21962 -0.45384 -0.99589 -0.25160 121 6PY -1.03331 0.49927 -0.36165 -0.46740 0.35112 122 6PZ 1.33176 -0.09318 -1.08990 0.57544 0.00721 123 7D 0 0.00030 0.00923 -0.06931 0.01356 0.00603 124 7D+1 -0.01749 -0.00020 0.03727 0.07025 -0.00260 125 7D-1 -0.03793 0.00319 -0.02608 0.05874 0.00182 126 7D+2 -0.03230 0.00808 0.03919 0.01485 0.00874 127 7D-2 0.03284 0.01218 0.02993 -0.02368 0.01060 128 8D 0 0.00023 0.01567 -0.02763 0.00555 0.02504 129 8D+1 -0.00401 -0.00215 0.01191 0.02748 -0.00416 130 8D-1 -0.01362 0.00504 -0.00573 0.02055 0.00659 131 8D+2 -0.01388 0.01573 0.01281 0.00274 0.02513 132 8D-2 0.01199 0.02254 0.01278 -0.00660 0.03739 133 7 Cu 1S -0.00183 0.01529 -0.00139 -0.00059 -0.00176 134 2S -0.00441 -0.04424 -0.12954 -0.09904 -0.06056 135 3S 0.04723 -3.92327 -5.83966 -4.55915 -2.42717 136 4PX -0.01064 0.04806 0.04733 0.02459 0.04306 137 4PY 0.01427 0.03148 0.07169 0.05062 0.00860 138 4PZ -0.00069 0.02623 0.01518 0.04037 0.01998 139 5PX 0.41594 -1.06092 -1.36280 -0.81732 -1.16435 140 5PY -0.44689 -0.63515 -1.90138 -1.36785 -0.21669 141 5PZ 0.00640 -0.56962 -0.55187 -1.02010 -0.53514 142 6PX -0.91181 -0.28010 -0.57669 -0.33553 -0.24498 143 6PY 0.54988 -0.51287 -0.44092 -0.30987 0.03457 144 6PZ 0.21883 -0.24400 -0.19714 -0.38109 -0.10540 145 7D 0 -0.02130 0.04385 0.05666 -0.01344 -0.02093 146 7D+1 0.05381 -0.06139 0.01117 -0.05960 -0.03218 147 7D-1 -0.03852 -0.01646 -0.04057 -0.00350 -0.01418 148 7D+2 0.03790 -0.02254 0.00916 0.04415 -0.07576 149 7D-2 -0.01175 -0.01421 -0.03075 -0.02293 -0.06385 150 8D 0 -0.00656 0.00222 0.01471 0.00762 0.00310 151 8D+1 0.01104 -0.00687 -0.01248 -0.01185 -0.00504 152 8D-1 -0.00651 -0.00712 -0.01234 -0.01472 -0.00536 153 8D+2 0.01933 -0.00326 0.00716 0.00565 -0.00005 154 8D-2 -0.00191 -0.01431 -0.02214 -0.01410 -0.00973 155 8 Cu 1S 0.00634 -0.00069 0.00168 -0.01212 -0.01669 156 2S 0.02014 0.05355 -0.00015 0.00994 -0.12983 157 3S -0.82326 3.58612 -0.57453 4.58242 -2.19662 158 4PX -0.01329 0.01097 0.02659 -0.00993 0.02199 159 4PY 0.09207 -0.03215 0.01587 0.01386 0.02756 160 4PZ -0.02508 0.00715 0.04310 0.00847 -0.02383 161 5PX 0.08011 -0.37742 -1.00033 0.23269 -0.40175 162 5PY -1.80779 0.97373 -0.57859 -0.73046 -0.92686 163 5PZ 0.58534 -0.18692 -1.66348 -0.15601 0.59888 164 6PX -0.79499 0.02176 -0.25707 0.45952 -0.10277 165 6PY 3.26094 -0.14188 -0.13864 -0.05649 -0.69118 166 6PZ -0.70828 0.05264 -0.30750 -0.30985 0.33207 167 7D 0 -0.01327 0.00985 -0.00415 0.01532 0.06048 168 7D+1 0.01962 0.05034 -0.05571 0.02807 0.02982 169 7D-1 0.05453 -0.04051 0.06980 0.03516 0.03487 170 7D+2 0.01911 -0.08101 -0.05986 -0.00736 0.03894 171 7D-2 -0.07223 0.03329 0.02271 -0.00022 0.06465 172 8D 0 -0.00227 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0.03842 -0.11552 0.03418 -0.00764 17 7D-2 0.02991 0.06165 -0.00831 0.00290 -0.00365 18 8D 0 -0.02219 -0.00983 -0.00225 -0.00575 -0.00784 19 8D+1 -0.02377 0.00846 -0.01020 0.00391 -0.00671 20 8D-1 -0.01246 0.01314 -0.00182 -0.01097 0.00935 21 8D+2 0.00928 0.01171 -0.01593 -0.01247 -0.00110 22 8D-2 -0.00260 0.03586 -0.00437 -0.01107 -0.01383 23 2 Cu 1S 0.01114 0.01219 0.00925 -0.00226 0.02780 24 2S 0.04884 0.05313 -0.07560 -0.00696 0.09172 25 3S -1.01931 -1.12245 -3.97388 0.07288 -0.56086 26 4PX -0.00585 0.00212 -0.03676 -0.00492 0.00455 27 4PY 0.00511 0.01159 -0.03048 -0.00438 0.01486 28 4PZ -0.00982 0.00413 0.03361 -0.00764 -0.00978 29 5PX 0.40118 -0.17519 1.11031 0.19857 -0.10724 30 5PY -0.03248 -0.47573 0.03830 0.11648 0.24937 31 5PZ 0.57777 -0.42951 -0.64847 0.34099 0.00261 32 6PX 0.06568 0.00511 0.66164 -0.29945 -0.64611 33 6PY 0.10812 0.07287 0.06365 -0.30413 0.76313 34 6PZ 0.00778 -0.11169 -0.41694 -0.59275 -0.01928 35 7D 0 0.02241 -0.01102 -0.00451 0.01539 -0.01837 36 7D+1 0.01285 0.05940 -0.01488 -0.02338 -0.02447 37 7D-1 0.00711 -0.03306 -0.00985 0.02752 -0.00468 38 7D+2 -0.06677 -0.02691 0.00062 -0.02721 0.00106 39 7D-2 0.00563 0.01149 0.00387 0.00321 -0.02041 40 8D 0 0.01772 -0.01434 0.00391 0.00066 0.02026 41 8D+1 -0.01503 0.00321 0.01216 0.00136 0.01402 42 8D-1 0.00195 -0.00235 -0.01880 -0.00794 0.02969 43 8D+2 -0.00291 0.01318 -0.02741 0.00134 0.02734 44 8D-2 -0.00437 0.01018 0.01713 -0.00345 0.00595 45 3 Cu 1S 0.01534 -0.00413 0.01165 0.00603 -0.00257 46 2S 0.28970 -0.07251 0.16049 0.11054 -0.04561 47 3S 10.89325 -2.64253 4.75168 4.26967 -1.75567 48 4PX -0.02015 0.01813 -0.02098 -0.01477 0.00968 49 4PY 0.02033 -0.00072 0.03285 0.02524 -0.00822 50 4PZ -0.12590 0.02824 -0.03609 -0.03235 0.01350 51 5PX 0.21713 -1.32090 0.97713 0.47423 0.09115 52 5PY -0.31993 -0.44158 -1.89399 -0.45830 0.26081 53 5PZ 3.72927 -0.73002 0.76797 1.08656 -0.51686 54 6PX 0.31943 0.01477 0.16565 0.36206 -0.74197 55 6PY -0.26270 0.12602 -0.20926 -1.04932 0.11558 56 6PZ 1.64359 -0.38621 0.36919 0.71067 -0.25914 57 7D 0 0.07536 0.00752 -0.05695 0.00116 -0.01171 58 7D+1 -0.02261 -0.11284 0.04096 0.02719 0.02937 59 7D-1 0.00613 -0.05775 -0.11171 -0.01010 0.01753 60 7D+2 -0.00067 -0.02543 -0.00258 -0.02106 -0.01740 61 7D-2 0.01041 0.00083 -0.02301 -0.00772 0.02780 62 8D 0 0.04051 -0.00268 -0.01100 0.01197 -0.00562 63 8D+1 -0.00004 -0.03158 0.00387 -0.00133 -0.00010 64 8D-1 -0.00419 -0.01321 -0.01475 0.00374 0.00024 65 8D+2 0.00749 0.00388 -0.00132 0.01500 0.00950 66 8D-2 0.00734 -0.00948 -0.00348 0.00912 -0.01539 67 4 Cu 1S -0.00107 -0.00123 0.02837 -0.00037 0.00169 68 2S -0.00615 -0.00696 0.11291 -0.00152 0.00719 69 3S -0.09250 -0.08330 0.41500 -0.01492 0.07404 70 4PX 0.00307 0.01485 -0.00573 -0.00207 -0.00481 71 4PY -0.00166 0.00633 0.01229 -0.00180 -0.00103 72 4PZ -0.01599 0.00233 -0.00183 -0.00452 0.00264 73 5PX -0.16133 -0.80789 0.25524 0.06114 0.14816 74 5PY 0.06650 -0.38083 -0.56756 0.05793 0.01515 75 5PZ 0.88763 -0.12165 0.08927 0.13647 -0.07506 76 6PX -0.02057 -0.08037 0.02676 -0.20848 -0.36409 77 6PY 0.01421 -0.02869 -0.03252 -0.15557 -0.16799 78 6PZ 0.07769 -0.01021 -0.00707 -0.43864 0.23200 79 7D 0 -0.00991 0.00459 0.03331 0.02823 -0.00620 80 7D+1 0.01688 -0.02375 -0.00264 -0.00651 -0.02910 81 7D-1 -0.04959 -0.00505 0.00811 -0.00554 -0.01311 82 7D+2 0.00182 -0.04365 0.02949 -0.00634 0.00974 83 7D-2 0.01282 0.02147 0.04786 -0.01568 0.00197 84 8D 0 0.00211 0.00156 -0.01714 -0.01788 0.00357 85 8D+1 0.01190 -0.00715 0.00160 0.00542 0.01891 86 8D-1 -0.02580 0.00071 -0.00598 0.00168 0.00968 87 8D+2 0.00032 -0.02339 -0.01688 0.00546 -0.00511 88 8D-2 0.00680 0.01588 -0.02356 0.00969 -0.00302 89 5 Cu 1S -0.01709 0.00332 0.01089 0.02463 -0.01217 90 2S -0.06129 0.01703 -0.07116 0.09677 -0.05251 91 3S 2.02685 -0.24828 -3.91783 0.02633 -0.20626 92 4PX 0.00736 0.00900 0.00408 -0.00917 -0.00521 93 4PY -0.00786 0.00823 -0.01573 0.01178 -0.01179 94 4PZ 0.00394 0.00084 -0.05429 0.01913 -0.01111 95 5PX -0.37762 -0.71378 0.15087 0.03544 0.38539 96 5PY 0.29190 -0.46960 -0.19538 0.27002 0.07517 97 5PZ -0.13702 0.04493 1.26231 -0.21690 0.12860 98 6PX 0.00364 -0.09059 0.14654 -0.66571 -0.42847 99 6PY -0.08321 -0.02495 -0.04209 0.52775 -0.66450 100 6PZ -0.20401 0.01533 0.69807 -0.31894 0.25888 101 7D 0 0.05703 -0.01971 0.02071 0.01447 -0.00240 102 7D+1 0.04324 0.02348 0.00828 -0.00110 -0.02201 103 7D-1 -0.04672 0.03087 -0.00143 -0.01124 -0.01199 104 7D+2 0.01724 0.03438 -0.00047 -0.03210 -0.02313 105 7D-2 -0.00077 -0.01889 -0.01111 -0.01809 0.02998 106 8D 0 -0.01016 -0.00194 -0.01296 -0.00076 -0.00004 107 8D+1 0.00514 0.02595 -0.01560 0.00831 -0.00591 108 8D-1 0.00131 0.01319 0.02989 -0.02492 0.01397 109 8D+2 -0.00077 0.00616 -0.00148 0.02746 -0.00689 110 8D-2 -0.00324 -0.00055 0.00313 0.03023 -0.01836 111 6 Cu 1S 0.00090 0.00082 0.00037 -0.00006 0.00069 112 2S 0.00654 0.00569 -0.00894 -0.00099 0.00827 113 3S -0.01124 -0.05320 0.03811 -0.05489 0.20039 114 4PX 0.00967 0.03773 -0.06742 -0.00619 -0.01796 115 4PY -0.00667 0.01367 0.13591 -0.00603 -0.00182 116 4PZ -0.03829 0.00515 -0.01701 -0.01391 0.00908 117 5PX -0.30399 -1.31137 1.69617 0.42054 0.96085 118 5PY 0.17414 -0.53892 -3.54183 0.35383 0.30196 119 5PZ 1.37274 -0.18416 0.48592 0.90768 -0.55940 120 6PX 0.07609 0.47844 0.21850 1.46621 2.97451 121 6PY 0.01616 0.28257 -0.70720 1.10268 1.34251 122 6PZ -0.55496 0.06445 0.18549 3.08022 -1.88017 123 7D 0 -0.01788 0.00182 -0.00271 -0.01235 0.00175 124 7D+1 -0.04897 0.01265 -0.00066 0.00629 0.01169 125 7D-1 0.09176 -0.00840 0.00151 -0.00270 0.00832 126 7D+2 0.00613 0.08804 0.00034 0.00607 -0.00057 127 7D-2 -0.01541 -0.05890 -0.00480 0.00548 -0.00447 128 8D 0 -0.01693 0.00633 -0.00185 0.01346 -0.00422 129 8D+1 -0.01723 -0.00888 -0.00009 0.01712 -0.01316 130 8D-1 0.02096 -0.00817 -0.00126 -0.03280 0.01819 131 8D+2 0.00618 0.02312 -0.00148 0.01837 0.03237 132 8D-2 0.00214 -0.01845 -0.00238 -0.01296 -0.02160 133 7 Cu 1S 0.00492 -0.01669 0.01049 -0.02237 -0.01634 134 2S 0.02337 -0.06032 -0.07319 -0.08434 -0.06747 135 3S -0.41577 1.95752 -3.92989 0.12024 -0.16132 136 4PX 0.00113 0.00412 0.04966 0.02036 0.01281 137 4PY 0.00394 -0.00999 0.01615 -0.00172 -0.00186 138 4PZ -0.01161 -0.00349 0.02330 0.00256 0.01463 139 5PX -0.25816 -0.23007 -0.83189 -0.08696 0.08513 140 5PY -0.19509 0.39581 -0.89576 -0.27296 -0.17944 141 5PZ 0.77385 0.24236 -0.41662 0.18081 -0.35073 142 6PX -0.07048 0.17851 -0.44750 0.33777 -0.16030 143 6PY -0.00234 0.04122 -0.46603 -0.69775 -0.65887 144 6PZ 0.07575 0.11509 -0.32838 -0.41168 0.54382 145 7D 0 0.02294 -0.00865 -0.01120 0.02924 0.00777 146 7D+1 -0.00321 0.00768 0.01237 -0.01874 -0.00704 147 7D-1 0.03371 0.05347 0.01552 0.01680 -0.03889 148 7D+2 0.01523 -0.03493 -0.00062 0.01632 0.00153 149 7D-2 -0.04175 0.05630 0.00857 -0.00713 0.01752 150 8D 0 0.01685 0.00510 0.00841 -0.02261 -0.01731 151 8D+1 0.01305 0.00021 0.00477 0.02598 0.01442 152 8D-1 0.01774 0.00197 -0.01326 -0.00830 -0.00047 153 8D+2 -0.00472 -0.00568 0.02577 0.00777 0.01061 154 8D-2 -0.00721 -0.01088 -0.02018 -0.02385 -0.01993 155 8 Cu 1S -0.01207 -0.01292 0.00996 -0.00074 0.00743 156 2S -0.21280 -0.23102 0.11664 -0.01201 0.13107 157 3S -7.76076 -8.48472 3.01282 -0.44345 4.92264 158 4PX 0.07444 0.09040 -0.02727 0.00560 -0.04246 159 4PY 0.00001 0.00666 0.02182 -0.00072 0.02146 160 4PZ -0.05522 -0.04440 0.00690 0.00171 0.01629 161 5PX -1.75161 -2.84036 0.97609 0.00286 1.30777 162 5PY 0.03963 -0.62554 -1.69636 0.13254 -0.40922 163 5PZ 2.19854 0.81001 0.13960 0.24989 -0.56122 164 6PX -1.05199 -1.06984 0.12974 -0.35645 1.06043 165 6PY -0.08769 -0.05110 -0.13416 -0.10291 -0.86326 166 6PZ 0.54388 0.73737 -0.01878 -0.42467 -0.32922 167 7D 0 -0.07656 0.06399 -0.02329 -0.03730 -0.01960 168 7D+1 0.07301 -0.00331 0.03025 0.00135 -0.00919 169 7D-1 0.00198 0.01814 0.07324 0.02420 0.00983 170 7D+2 0.01212 -0.05620 0.02756 -0.00674 0.00657 171 7D-2 0.01272 -0.05284 -0.09969 0.02908 -0.02805 172 8D 0 -0.02464 0.01641 -0.00515 0.00233 0.01021 173 8D+1 0.02483 0.01384 0.00947 0.00740 -0.00384 174 8D-1 0.00701 -0.00330 0.00954 -0.01235 -0.00005 175 8D+2 -0.01407 -0.02292 -0.00260 0.00796 0.01185 176 8D-2 0.00106 -0.02302 -0.01794 -0.00654 0.01630 177 9 C 1S -0.00301 -0.00296 0.08174 -0.00086 0.00284 178 2S 0.00086 0.00106 -0.08539 0.00222 -0.00827 179 3S 0.10073 0.09715 -2.56919 0.02342 -0.07357 180 4PX 0.04739 0.24196 -0.04442 0.33380 0.65463 181 4PY -0.01385 0.11985 0.07222 0.25140 0.27549 182 4PZ -0.26640 0.03400 0.00150 0.70469 -0.40826 183 5PX -0.01465 -0.07309 0.04262 -0.73856 -1.46033 184 5PY 0.00380 -0.03206 0.04630 -0.55892 -0.63751 185 5PZ 0.07953 -0.01008 -0.04763 -1.55964 0.91864 186 10 O 1S 0.00179 0.00160 -0.04648 0.00044 -0.00045 187 2S -0.00413 -0.00384 0.10266 -0.00104 0.00167 188 3S -0.02437 -0.02122 0.65093 -0.00562 0.00232 189 4PX -0.00230 -0.02375 -0.08225 0.05702 0.10807 190 4PY -0.00583 -0.02036 0.15649 0.04130 0.05199 191 4PZ 0.03037 -0.00232 -0.01640 0.11909 -0.06963 192 5PX 0.00243 -0.01799 -0.18968 0.05172 0.09748 193 5PY -0.01283 -0.02594 0.36694 0.03358 0.05062 194 5PZ 0.02892 -0.00193 -0.04119 0.10557 -0.06430 141 142 143 144 145 V V V V V EIGENVALUES -- 0.53552 0.64085 0.65956 0.65983 0.67474 1 1 Cu 1S 0.01974 -0.03554 0.00406 -0.02845 0.05991 2 2S 0.01555 -0.05064 -0.01119 0.01072 0.10145 3 3S -0.65977 2.09150 -0.58773 2.28486 -1.53973 4 4PX -0.00422 -0.00400 -0.00546 -0.00014 0.00577 5 4PY -0.00366 -0.00137 -0.00902 0.02290 -0.00518 6 4PZ -0.00272 -0.00134 0.01079 0.00779 -0.00502 7 5PX -0.03623 0.01781 0.32864 -0.29844 -0.05009 8 5PY 0.22896 -0.05679 0.28587 -0.61945 0.20798 9 5PZ 0.01877 -0.03422 -0.44220 -0.41564 0.22823 10 6PX 0.04707 0.24332 0.50140 -0.59786 -0.17606 11 6PY -0.16978 0.01758 0.08254 0.12165 0.15845 12 6PZ -0.03251 0.08671 -0.59120 -0.46734 0.34139 13 7D 0 0.01563 -0.09305 0.07448 -0.08677 0.07541 14 7D+1 -0.00350 0.14312 0.06243 0.04561 -0.01588 15 7D-1 -0.02292 0.09024 -0.13196 0.00994 0.12487 16 7D+2 0.03418 0.01616 -0.02679 -0.15356 0.03765 17 7D-2 -0.02781 0.13642 0.04227 -0.00013 0.01341 18 8D 0 -0.01638 0.14209 -0.08624 0.12113 -0.08731 19 8D+1 0.01381 -0.19991 -0.08063 -0.05187 0.05375 20 8D-1 0.02805 -0.13296 0.19863 0.00189 -0.18159 21 8D+2 -0.02161 -0.00398 0.03520 0.20967 -0.07062 22 8D-2 0.03979 -0.19605 -0.07672 0.01388 -0.02523 23 2 Cu 1S -0.02188 0.18265 0.06081 -0.01506 -0.13699 24 2S -0.02699 0.36252 0.09192 -0.02323 -0.22394 25 3S -0.20257 -2.81127 -0.84053 0.21586 3.37157 26 4PX -0.00115 -0.00421 -0.00458 0.00307 0.00322 27 4PY 0.00641 0.00102 0.00804 -0.00040 0.00248 28 4PZ -0.00198 0.00206 0.00043 0.00330 -0.00315 29 5PX -0.06274 0.49112 0.28434 -0.24374 -0.68302 30 5PY 0.09165 0.04149 -0.09196 -0.10287 -0.13619 31 5PZ -0.00149 -0.30713 -0.22304 -0.24801 0.43896 32 6PX -0.10248 0.51723 0.03215 0.02541 -0.35697 33 6PY 0.37610 0.04647 -0.38896 0.11044 -0.03074 34 6PZ -0.09700 -0.31871 0.15747 0.02674 0.17952 35 7D 0 -0.00351 0.01274 -0.05438 0.00552 -0.03711 36 7D+1 0.00005 -0.00966 0.10596 0.03216 -0.11689 37 7D-1 -0.02840 -0.02370 -0.03697 -0.06792 -0.10403 38 7D+2 -0.02902 -0.00375 -0.12649 0.09394 -0.01889 39 7D-2 0.01602 0.03994 -0.09965 0.00188 0.01639 40 8D 0 0.00521 -0.01308 0.07991 -0.03667 0.04753 41 8D+1 -0.00983 0.04031 -0.12457 -0.02375 0.12286 42 8D-1 0.03998 0.02433 0.05515 0.07614 0.13711 43 8D+2 0.05042 -0.02502 0.17785 -0.10559 0.05426 44 8D-2 -0.01934 -0.04793 0.14669 0.00353 -0.00855 45 3 Cu 1S 0.01977 -0.03514 0.01562 0.02455 0.07746 46 2S 0.01531 -0.05144 -0.01468 -0.00394 0.13242 47 3S -0.66114 2.04271 -1.48729 -1.83480 -1.93605 48 4PX 0.00095 -0.00041 -0.00198 0.01574 0.00884 49 4PY -0.00012 0.00066 -0.01591 -0.00773 -0.00492 50 4PZ 0.00619 0.00466 0.01124 0.01096 0.00011 51 5PX -0.10755 0.04398 0.24067 -0.50928 -0.27640 52 5PY 0.17929 -0.02843 0.39476 -0.00077 0.10156 53 5PZ -0.10440 0.01304 -0.53291 -0.52367 -0.19389 54 6PX 0.10813 0.05944 0.64178 -0.30399 -0.40592 55 6PY -0.14440 -0.11498 -0.02325 -0.57472 0.05641 56 6PZ 0.06562 -0.23497 -0.44169 -0.39089 -0.08925 57 7D 0 -0.02526 0.22571 -0.01945 -0.00859 0.04196 58 7D+1 -0.02554 0.04643 -0.02980 -0.07051 0.06698 59 7D-1 0.03724 0.00324 0.05690 0.08527 0.03157 60 7D+2 0.00112 -0.03172 -0.05963 0.13814 0.12931 61 7D-2 0.00919 -0.03933 0.15038 0.01996 0.03233 62 8D 0 0.04347 -0.32099 0.00831 0.00001 -0.06209 63 8D+1 0.02387 -0.07465 0.05355 0.07592 -0.06737 64 8D-1 -0.02867 0.01396 -0.06438 -0.12382 -0.03209 65 8D+2 0.00117 0.04905 0.08960 -0.19913 -0.20598 66 8D-2 -0.00521 0.06520 -0.21256 -0.02613 -0.03895 67 4 Cu 1S -0.03232 0.13031 0.00918 -0.00186 -0.00891 68 2S -0.06650 0.27875 0.01246 -0.00320 -0.01766 69 3S 0.43594 -1.53298 -0.19617 0.03339 0.10982 70 4PX 0.00230 0.00105 0.00051 -0.00049 0.00374 71 4PY -0.00429 -0.00179 -0.00055 -0.00023 0.00206 72 4PZ 0.00040 0.00012 -0.00033 -0.00067 -0.00348 73 5PX -0.00526 -0.12994 -0.01674 -0.00549 -0.03260 74 5PY 0.00829 0.23990 0.05846 -0.01360 -0.04021 75 5PZ -0.00023 -0.02269 -0.01656 -0.00703 0.04031 76 6PX 0.03869 -0.25367 -0.01455 -0.00763 0.20681 77 6PY -0.03797 0.46143 0.00795 -0.01384 0.04766 78 6PZ -0.01151 -0.04153 -0.00452 -0.02377 -0.16502 79 7D 0 -0.00700 -0.06177 -0.04253 -0.08064 -0.00779 80 7D+1 0.00102 0.00330 -0.08477 0.04729 -0.02035 81 7D-1 -0.00178 -0.01884 -0.02290 0.02902 -0.14585 82 7D+2 -0.00667 -0.05619 0.05050 0.00576 -0.09743 83 7D-2 -0.01027 -0.08544 0.01847 0.04896 0.10075 84 8D 0 0.00335 0.09306 0.06678 0.12002 0.00658 85 8D+1 -0.00053 -0.00534 0.12663 -0.07112 0.02208 86 8D-1 0.00084 0.02773 0.03789 -0.04361 0.18473 87 8D+2 0.00308 0.08474 -0.07013 -0.01004 0.12508 88 8D-2 0.00490 0.12944 -0.02497 -0.07301 -0.13049 89 5 Cu 1S -0.02400 0.17997 -0.04286 -0.03860 0.06366 90 2S -0.02921 0.35895 -0.06624 -0.05769 0.10127 91 3S -0.22518 -2.77012 0.66687 0.49509 -1.70305 92 4PX -0.00293 -0.00110 -0.00026 0.00599 0.00225 93 4PY 0.00590 0.00099 -0.00698 -0.00471 -0.00012 94 4PZ 0.00219 -0.00408 0.00185 0.00118 -0.00257 95 5PX -0.05257 0.11119 0.15919 -0.29029 0.17997 96 5PY 0.09769 -0.07089 0.21478 -0.01089 0.06130 97 5PZ -0.02252 0.54603 -0.25367 -0.18711 0.39615 98 6PX -0.19550 0.09599 -0.18292 -0.05308 0.38371 99 6PY 0.40233 -0.08110 0.19680 0.24507 0.10402 100 6PZ 0.07431 0.61382 0.09909 0.12167 0.14664 101 7D 0 0.00089 0.03663 0.11933 0.11561 -0.09065 102 7D+1 -0.01937 -0.01279 0.00212 0.04725 0.15389 103 7D-1 0.03886 0.03254 -0.05796 -0.01267 0.03752 104 7D+2 -0.01285 0.00678 -0.01936 0.11264 -0.01620 105 7D-2 -0.01306 0.02708 0.09618 0.03021 0.09370 106 8D 0 0.01267 -0.07897 -0.15442 -0.15827 0.10513 107 8D+1 0.03057 -0.00178 -0.02242 -0.03872 -0.23925 108 8D-1 -0.05758 -0.02116 0.06071 0.02832 -0.06110 109 8D+2 0.01957 -0.01322 0.00321 -0.14627 0.03453 110 8D-2 0.01943 -0.03626 -0.13270 -0.06014 -0.14061 111 6 Cu 1S -0.06483 0.01160 0.00095 -0.00068 0.00047 112 2S -0.21012 0.01168 0.00948 -0.00215 -0.00172 113 3S 2.91775 3.49152 -0.18924 0.02250 0.00916 114 4PX 0.02329 0.00627 -0.00183 0.00155 0.01831 115 4PY -0.04442 -0.01176 -0.00218 0.00112 0.00905 116 4PZ 0.00481 0.00118 0.00245 0.00117 -0.01659 117 5PX -0.01862 -0.00048 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V EIGENVALUES -- 0.67492 0.67928 0.69818 0.70934 0.70994 1 1 Cu 1S -0.12322 0.01843 0.01508 0.18664 0.11994 2 2S -0.21719 0.00880 0.06594 0.22688 0.14466 3 3S 2.80037 -1.83308 0.78666 -7.27758 -4.72731 4 4PX -0.00454 -0.00217 -0.00808 -0.01687 -0.01729 5 4PY 0.01079 0.00100 0.01907 -0.02128 -0.01609 6 4PZ -0.00470 0.00201 -0.00060 -0.01880 0.00165 7 5PX -0.10367 0.19819 0.42034 1.18705 0.65053 8 5PY -0.45886 -0.16562 -0.77087 1.15292 0.72340 9 5PZ 0.01530 -0.00412 0.07411 0.55731 0.61880 10 6PX -0.01827 0.09259 0.43123 0.71609 0.46044 11 6PY -0.43580 -0.05367 -0.75887 0.91145 0.61641 12 6PZ 0.15353 -0.03748 0.06521 0.46983 0.28142 13 7D 0 -0.05434 0.01144 -0.09580 -0.12187 0.15758 14 7D+1 0.00685 0.00992 0.13830 -0.08758 0.16302 15 7D-1 0.00921 -0.09988 -0.00396 -0.02744 0.02409 16 7D+2 -0.02439 0.06219 0.08660 0.06563 -0.07579 17 7D-2 -0.18459 -0.13611 -0.05623 0.00544 -0.06529 18 8D 0 0.09961 -0.02370 0.14584 0.19685 -0.26952 19 8D+1 -0.00428 -0.01247 -0.21593 0.13324 -0.28414 20 8D-1 -0.01626 0.15848 0.01167 0.02615 -0.04650 21 8D+2 0.02924 -0.10289 -0.14844 -0.13313 0.11421 22 8D-2 0.26861 0.21673 0.09275 -0.05516 0.07612 23 2 Cu 1S 0.00745 -0.08328 0.00996 -0.06240 0.03073 24 2S 0.01124 -0.17132 -0.03065 -0.13186 0.06463 25 3S -0.22126 0.71091 -1.08250 2.17318 -1.09533 26 4PX -0.00154 0.00155 -0.00654 0.00022 0.00046 27 4PY -0.00120 -0.00445 -0.00274 0.00124 -0.00024 28 4PZ -0.00206 0.00100 0.00498 0.00001 0.00115 29 5PX -0.03276 -0.17101 0.41008 -0.30032 0.35475 30 5PY -0.04211 0.05738 -0.13490 0.29095 -0.00635 31 5PZ -0.16082 0.07672 -0.18906 0.26338 0.21277 32 6PX -0.19118 -0.09126 -0.15062 -0.66967 0.30242 33 6PY -0.15453 -0.19344 0.50868 0.01596 -0.02636 34 6PZ -0.37763 0.14901 -0.11967 0.34860 -0.22825 35 7D 0 0.18711 0.02024 0.06621 0.04217 -0.09393 36 7D+1 -0.04131 0.04473 0.06650 0.21511 -0.01484 37 7D-1 -0.04855 -0.01346 -0.02625 0.03283 -0.09729 38 7D+2 -0.02415 -0.03933 -0.05185 -0.02789 0.10747 39 7D-2 -0.10394 0.04309 0.10960 0.02453 -0.00011 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7D+2 0.01277 -0.05669 -0.08317 0.07306 0.02084 61 7D-2 0.13863 -0.02369 -0.09775 -0.08337 0.01732 62 8D 0 -0.14288 0.19097 -0.11342 -0.07314 0.03678 63 8D+1 0.01550 0.11638 0.06112 0.41069 0.00951 64 8D-1 0.06427 -0.17718 -0.20913 0.18953 0.05594 65 8D+2 -0.01372 0.08496 0.12826 -0.12860 -0.01668 66 8D-2 -0.21851 0.03332 0.14884 0.14158 -0.00065 67 4 Cu 1S -0.00387 -0.16981 -0.12122 -0.00514 0.00062 68 2S -0.00672 -0.29128 -0.16154 -0.00766 0.00110 69 3S 0.05853 2.83853 3.02356 0.11404 -0.02091 70 4PX -0.00295 -0.00515 -0.00463 -0.00061 -0.00007 71 4PY -0.00175 0.00929 0.00879 0.00017 -0.00012 72 4PZ -0.00414 -0.00070 -0.00093 -0.00002 -0.00047 73 5PX 0.03617 0.36601 0.43548 0.48583 0.04552 74 5PY 0.00545 -0.68739 -0.82916 0.21544 0.08123 75 5PZ 0.04246 0.06384 0.08019 -0.07516 0.52965 76 6PX -0.13927 0.23027 0.00803 0.01470 -0.00825 77 6PY -0.10931 -0.49848 0.00805 -0.00776 0.00069 78 6PZ -0.21078 0.08203 -0.01109 -0.00698 -0.00154 79 7D 0 -0.03397 -0.04037 -0.11084 -0.00889 -0.09269 80 7D+1 0.10772 -0.00737 0.01251 0.07461 -0.06316 81 7D-1 -0.11593 -0.00040 -0.03575 0.01517 0.09518 82 7D+2 0.12379 -0.02556 -0.10695 -0.10852 0.00486 83 7D-2 -0.02954 -0.06175 -0.15872 0.07651 0.03507 84 8D 0 0.03654 0.03229 0.13541 0.01072 0.14220 85 8D+1 -0.13604 0.01530 -0.01466 -0.10732 0.11768 86 8D-1 0.15087 -0.00417 0.04472 -0.01301 -0.18501 87 8D+2 -0.15863 0.01036 0.12932 0.20094 0.00259 88 8D-2 0.04104 0.04872 0.19364 -0.14234 -0.05095 89 5 Cu 1S 0.10784 -0.10288 0.01206 0.00393 -0.06811 90 2S 0.17307 -0.19962 -0.02847 0.00663 -0.14291 91 3S -2.73565 1.22591 -1.19659 -0.19993 2.48279 92 4PX -0.00116 0.00196 -0.00035 0.00109 -0.00042 93 4PY -0.00205 -0.00438 -0.00123 0.00025 0.00132 94 4PZ -0.00384 0.00006 -0.00878 -0.00055 0.00130 95 5PX 0.01046 -0.08251 0.15519 0.34926 -0.18991 96 5PY -0.09101 0.13201 -0.20447 0.16096 0.33232 97 5PZ 0.67041 -0.29152 0.41315 0.00308 -0.36030 98 6PX -0.14259 0.02151 -0.24168 -0.03986 -0.18919 99 6PY -0.22141 -0.13924 0.51239 -0.03281 0.19388 100 6PZ 0.31923 -0.23056 0.09957 0.05879 -0.80644 101 7D 0 -0.08524 0.00671 -0.02933 -0.00591 -0.19956 102 7D+1 -0.10600 -0.03899 -0.06535 0.09325 -0.05512 103 7D-1 -0.09960 0.03980 0.09939 0.06113 0.02529 104 7D+2 0.07007 0.01181 0.04325 0.09291 0.06913 105 7D-2 0.02564 0.04056 0.09037 -0.05550 0.09658 106 8D 0 0.07729 0.01980 0.02942 0.01070 0.32132 107 8D+1 0.15118 0.06106 0.07799 -0.16071 0.10644 108 8D-1 0.14840 -0.06097 -0.11454 -0.10048 -0.07740 109 8D+2 -0.10626 -0.02319 -0.07637 -0.15132 -0.10331 110 8D-2 -0.02683 -0.06354 -0.14620 0.08868 -0.15008 111 6 Cu 1S 0.00032 0.00950 -0.02849 -0.00239 0.00140 112 2S -0.00077 -0.02704 -0.02836 -0.00369 0.00180 113 3S -0.01878 -0.16640 -1.67706 0.08702 -0.08400 114 4PX -0.01398 -0.01443 -0.01965 -0.01188 -0.00151 115 4PY -0.00851 0.02717 0.03846 -0.00555 -0.00145 116 4PZ -0.01975 -0.00190 -0.00431 0.00177 -0.01300 117 5PX 0.30724 0.41100 0.28613 0.48277 0.05303 118 5PY 0.17901 -0.72323 -0.57115 0.24004 0.07091 119 5PZ 0.42913 0.03757 0.05741 -0.07706 0.53375 120 6PX 0.36760 -0.54302 0.50844 0.38300 0.05404 121 6PY 0.28376 1.12713 -1.10908 0.21897 0.05408 122 6PZ 0.53951 -0.17700 0.16019 -0.05832 0.44472 123 7D 0 -0.21605 0.10904 -0.00225 -0.00410 -0.00127 124 7D+1 0.09793 -0.01210 -0.00695 0.01487 0.05278 125 7D-1 0.05113 0.04214 -0.00321 0.02734 -0.09670 126 7D+2 0.04893 0.10594 0.00135 0.09231 0.02334 127 7D-2 0.12181 0.13694 0.00127 -0.05664 0.00719 128 8D 0 0.35248 -0.17704 0.01482 0.00240 -0.03554 129 8D+1 -0.15561 0.01772 0.00956 0.01240 -0.09905 130 8D-1 -0.08907 -0.06647 0.00746 -0.02863 0.17015 131 8D+2 -0.07440 -0.16892 0.00796 -0.16924 -0.02941 132 8D-2 -0.20079 -0.22322 0.01435 0.10661 0.00645 133 7 Cu 1S -0.12249 -0.09709 0.01124 0.05582 0.03600 134 2S -0.19877 -0.19139 -0.03013 0.11588 0.07632 135 3S 3.04001 1.07923 -1.15099 -2.09368 -1.31055 136 4PX -0.00323 0.00271 0.00685 0.00191 0.00033 137 4PY -0.00122 -0.00401 0.00409 -0.00036 -0.00042 138 4PZ -0.00305 0.00105 0.00385 0.00020 0.00117 139 5PX 0.52184 0.11130 -0.16499 0.03224 -0.15103 140 5PY 0.48387 0.26263 -0.42458 -0.40529 -0.32069 141 5PZ 0.22908 0.07303 -0.14697 -0.27956 0.23912 142 6PX 0.26048 0.22543 -0.36200 -0.39941 -0.22770 143 6PY 0.31333 -0.00129 0.43107 -0.54426 -0.34353 144 6PZ -0.05526 0.14485 -0.11793 -0.22638 -0.20332 145 7D 0 -0.01280 0.02654 0.09043 -0.08368 -0.11825 146 7D+1 0.16705 -0.01234 -0.02008 0.12477 0.07267 147 7D-1 0.04815 -0.03161 -0.05000 0.14751 -0.05800 148 7D+2 0.01386 0.05822 0.12000 -0.01481 -0.02527 149 7D-2 0.00072 0.00862 -0.01281 0.04182 0.10340 150 8D 0 -0.00381 -0.05153 -0.13984 0.12866 0.19437 151 8D+1 -0.21982 0.03398 0.04087 -0.18914 -0.10338 152 8D-1 -0.04532 0.05354 0.05843 -0.24982 0.09204 153 8D+2 -0.01126 -0.08431 -0.15412 0.05254 0.05670 154 8D-2 0.03239 0.00571 -0.01081 -0.08085 -0.17924 155 8 Cu 1S 0.01062 0.02944 0.01328 -0.19868 0.10005 156 2S 0.01822 0.03257 0.06084 -0.24075 0.12129 157 3S -0.27702 -1.96839 0.73746 7.75884 -3.91230 158 4PX -0.00366 -0.00125 -0.01120 -0.02691 0.02024 159 4PY -0.00384 0.00197 0.01814 0.00029 0.00487 160 4PZ -0.00691 0.00034 -0.00108 0.02273 0.00017 161 5PX 0.09331 0.05743 0.39808 1.61679 -0.68399 162 5PY 0.09931 -0.23126 -0.79147 0.23829 -0.04072 163 5PZ 0.22556 0.04607 0.08935 -0.90603 0.67411 164 6PX 0.18835 0.01797 0.37719 1.15640 -0.58418 165 6PY 0.16989 -0.10072 -0.74065 0.01039 -0.01207 166 6PZ 0.37052 0.01272 0.08189 -0.68096 0.33320 167 7D 0 0.04909 -0.01469 -0.06622 0.11509 0.21177 168 7D+1 -0.08090 0.07751 -0.08499 -0.02795 -0.05373 169 7D-1 0.08620 -0.05613 -0.14231 -0.02128 -0.08270 170 7D+2 -0.07861 -0.12534 -0.09067 0.00808 -0.03442 171 7D-2 0.01334 0.00038 0.02788 -0.06357 -0.12257 172 8D 0 -0.03746 0.01681 0.09923 -0.17659 -0.36219 173 8D+1 0.11227 -0.13027 0.12782 0.01541 0.10154 174 8D-1 -0.14329 0.08890 0.22770 0.03317 0.14478 175 8D+2 0.11572 0.20305 0.14887 0.01853 0.03685 176 8D-2 -0.04153 -0.00713 -0.05424 0.14387 0.18752 177 9 C 1S 0.00153 0.06349 -0.00993 0.00050 0.00013 178 2S -0.00082 0.01152 -0.31760 0.00577 -0.00907 179 3S 0.00215 0.08945 0.06619 -0.00488 0.00538 180 4PX -0.00422 -0.03554 0.18338 0.07547 0.00556 181 4PY -0.00076 0.07313 -0.36825 0.02707 0.01459 182 4PZ -0.00654 -0.00881 0.04409 -0.01056 0.07884 183 5PX -0.04895 0.24153 -0.25342 -0.25187 -0.02359 184 5PY -0.05115 -0.51571 0.51576 -0.12848 -0.03792 185 5PZ -0.07404 0.07828 -0.05620 0.04343 -0.27537 186 10 O 1S 0.00030 0.01109 -0.00570 0.00035 -0.00030 187 2S 0.00101 0.05151 -0.00612 0.00113 -0.00004 188 3S -0.00922 -0.36462 0.11322 -0.00960 0.00486 189 4PX -0.01191 -0.31398 0.19837 -0.01607 0.00416 190 4PY 0.00990 0.55688 -0.39061 -0.00371 -0.00108 191 4PZ -0.00721 -0.04469 0.04951 0.00633 -0.00732 192 5PX 0.03112 0.47604 -0.21012 0.06322 -0.00597 193 5PY -0.00576 -0.84432 0.40826 0.01376 0.01191 194 5PZ 0.02950 0.06630 -0.05358 -0.01456 0.04724 151 152 153 154 155 V V V V V EIGENVALUES -- 0.74882 0.75149 0.79121 0.79637 0.79680 1 1 Cu 1S -0.01292 -0.01922 -0.00047 0.00274 -0.00634 2 2S -0.02483 -0.03684 -0.00188 -0.00299 0.01297 3 3S 0.24373 0.40273 -0.02258 -0.30361 0.87734 4 4PX 0.01139 0.00023 -0.00445 0.00093 0.00674 5 4PY -0.00075 -0.00676 -0.00161 0.00038 0.00363 6 4PZ -0.01491 0.01338 0.00943 -0.00793 0.00099 7 5PX -0.08072 -0.07505 -0.06061 -0.00411 -0.01658 8 5PY -0.01100 0.03424 -0.00638 0.08567 -0.33956 9 5PZ 0.03612 -0.08313 0.13180 0.07458 -0.02139 10 6PX 0.12068 0.14897 0.18553 0.26592 -0.42659 11 6PY -0.19961 -0.22981 0.04296 -0.05866 0.26514 12 6PZ 0.05594 -0.01997 -0.36934 -0.15111 -0.24762 13 7D 0 -0.00206 0.00070 0.03029 -0.04873 0.12188 14 7D+1 -0.04707 0.00868 0.08422 0.03311 -0.11263 15 7D-1 0.13439 -0.04382 -0.13819 -0.01726 -0.01447 16 7D+2 -0.00994 -0.08366 -0.06009 0.00415 -0.00757 17 7D-2 -0.00623 0.09050 0.04461 -0.01711 0.07950 18 8D 0 0.01484 0.01025 -0.05727 0.07797 -0.18976 19 8D+1 0.06037 -0.02262 -0.13101 -0.04579 0.16748 20 8D-1 -0.19034 0.05676 0.18433 0.01948 0.02419 21 8D+2 0.01649 0.12515 0.09105 -0.00407 -0.00808 22 8D-2 0.00967 -0.12602 -0.05516 0.02645 -0.11590 23 2 Cu 1S 0.05288 -0.00553 0.00024 0.04309 -0.00872 24 2S 0.13373 -0.01407 0.00061 0.10307 -0.02089 25 3S -0.67752 0.07086 -0.00086 -0.28754 0.05241 26 4PX -0.00878 -0.00052 -0.00374 -0.00122 0.00211 27 4PY 0.01650 -0.00278 -0.00260 0.00282 0.00075 28 4PZ -0.00211 -0.00227 -0.00643 0.00054 0.00310 29 5PX 0.07383 -0.04981 0.00703 0.00137 -0.00861 30 5PY 0.08833 -0.04139 0.00549 0.08527 -0.02231 31 5PZ -0.09082 -0.06380 0.01284 -0.03934 -0.00741 32 6PX 0.11705 -0.07782 -0.01337 -0.01188 0.04603 33 6PY -0.04593 -0.04114 -0.00857 -0.05812 0.04138 34 6PZ -0.06758 -0.10542 -0.02268 0.05094 0.05887 35 7D 0 -0.01982 0.02765 -0.23944 0.14066 0.04248 36 7D+1 -0.07663 0.03732 0.09536 -0.02871 -0.04064 37 7D-1 0.08646 -0.06969 0.03156 -0.04338 0.02522 38 7D+2 0.15523 0.02231 0.06630 0.03772 -0.04823 39 7D-2 -0.08944 -0.01975 0.12466 0.23795 -0.08104 40 8D 0 0.02879 -0.06299 0.38625 -0.23524 -0.06174 41 8D+1 0.12756 -0.04937 -0.14337 0.04093 0.06233 42 8D-1 -0.10954 0.10616 -0.06589 0.06593 -0.03699 43 8D+2 -0.22386 -0.02925 -0.09474 -0.06759 0.07519 44 8D-2 0.11933 0.04267 -0.20550 -0.39483 0.13144 45 3 Cu 1S -0.00854 0.02147 0.00033 0.00449 0.00442 46 2S -0.01683 0.04200 0.00144 -0.00945 -0.01136 47 3S 0.13584 -0.41429 0.02135 -0.63537 -0.67489 48 4PX 0.01934 0.00401 0.00930 0.00510 -0.00426 49 4PY 0.00638 0.01158 0.00499 0.00377 -0.00181 50 4PZ -0.00307 0.00147 -0.00119 0.00470 0.00622 51 5PX -0.07054 0.00248 0.13070 -0.12758 -0.07063 52 5PY -0.02205 -0.09210 0.05887 0.12647 0.20856 53 5PZ 0.03556 -0.06899 -0.00687 -0.14663 -0.16058 54 6PX 0.04648 -0.18034 -0.37222 0.31253 0.00369 55 6PY -0.16727 0.25391 -0.17982 -0.23503 -0.41620 56 6PZ -0.00773 -0.01183 0.04421 -0.22066 -0.19356 57 7D 0 0.00637 -0.03411 -0.00058 0.02818 0.02908 58 7D+1 0.05013 -0.03598 -0.00935 -0.01565 0.00682 59 7D-1 -0.00393 0.09529 0.01189 0.03523 0.05017 60 7D+2 0.12279 0.03266 0.15183 -0.08067 -0.06600 61 7D-2 -0.07201 -0.04567 -0.09681 -0.09356 -0.11578 62 8D 0 -0.01319 0.05595 -0.00271 -0.04284 -0.04323 63 8D+1 -0.06870 0.05658 0.03424 0.01857 -0.01819 64 8D-1 0.00684 -0.13664 -0.00627 -0.04174 -0.06145 65 8D+2 -0.16782 -0.05586 -0.21336 0.11935 0.10632 66 8D-2 0.10869 0.04977 0.13757 0.14903 0.17666 67 4 Cu 1S -0.00588 0.00103 0.00000 -0.00242 0.00010 68 2S -0.00834 0.00133 0.00000 -0.00260 0.00006 69 3S 0.14281 -0.02994 -0.00010 0.08352 -0.00291 70 4PX -0.00272 -0.00109 0.00010 0.00278 -0.00286 71 4PY -0.00027 -0.00110 0.00007 0.00183 -0.00193 72 4PZ 0.00132 -0.00264 0.00010 -0.00355 -0.00309 73 5PX -0.03692 -0.03338 0.00030 0.03631 -0.02115 74 5PY -0.07025 -0.01289 0.00028 -0.01552 -0.01170 75 5PZ 0.03969 -0.06310 0.00107 -0.02344 -0.02180 76 6PX 0.20478 0.09323 0.00197 0.03591 -0.03416 77 6PY 0.07915 0.07580 0.00118 0.00845 -0.02192 78 6PZ -0.11842 0.21019 0.00088 -0.03770 -0.03717 79 7D 0 0.02594 -0.09775 0.00194 -0.05716 -0.06878 80 7D+1 0.09338 -0.04827 0.00305 -0.12217 -0.04632 81 7D-1 -0.03292 0.12213 -0.00470 0.11541 0.13699 82 7D+2 -0.12188 -0.04792 0.00483 0.13525 -0.13050 83 7D-2 0.07358 0.07159 -0.00338 -0.08539 0.10414 84 8D 0 -0.04365 0.16447 -0.00329 0.09595 0.11846 85 8D+1 -0.15599 0.06404 -0.00448 0.20301 0.06317 86 8D-1 0.03553 -0.17924 0.00723 -0.17101 -0.21573 87 8D+2 0.17871 0.06363 -0.00729 -0.21426 0.19949 88 8D-2 -0.10668 -0.11496 0.00536 0.12867 -0.16793 89 5 Cu 1S -0.02392 0.05054 0.00183 -0.02931 -0.03384 90 2S -0.06171 0.12912 0.00452 -0.07313 -0.08370 91 3S 0.25909 -0.60859 -0.01065 0.13335 0.18887 92 4PX 0.00059 -0.00957 0.00665 -0.00195 0.00440 93 4PY -0.00898 0.01539 0.00376 -0.00398 -0.00138 94 4PZ 0.00020 -0.00036 -0.00066 -0.00017 -0.00050 95 5PX -0.05618 -0.04607 -0.01515 0.04663 0.01100 96 5PY -0.05401 0.02712 -0.00505 -0.03570 -0.06072 97 5PZ -0.03427 0.11342 0.00215 -0.01000 -0.02051 98 6PX -0.12628 -0.02864 0.01999 -0.07763 0.04345 99 6PY -0.03324 -0.04231 0.00785 0.00417 0.05723 100 6PZ -0.03897 0.12424 -0.00254 0.04919 0.03233 101 7D 0 -0.02995 0.05963 0.04853 -0.10367 -0.08939 102 7D+1 -0.04797 0.09117 -0.25377 0.11840 -0.02091 103 7D-1 0.07118 -0.16027 -0.12617 -0.06107 -0.14481 104 7D+2 0.06162 0.04081 0.01641 -0.04248 -0.08498 105 7D-2 -0.03630 -0.03054 -0.03511 -0.10916 -0.11753 106 8D 0 0.04756 -0.10550 -0.07759 0.16730 0.14637 107 8D+1 0.08912 -0.12034 0.40647 -0.18926 0.02809 108 8D-1 -0.08681 0.22555 0.19967 0.10237 0.23331 109 8D+2 -0.09729 -0.05592 -0.04460 0.07699 0.13954 110 8D-2 0.05492 0.05311 0.06808 0.18267 0.20114 111 6 Cu 1S 0.00500 -0.00039 0.00003 0.00268 -0.00096 112 2S 0.00939 -0.00076 0.00006 0.00479 -0.00193 113 3S -0.05803 -0.01867 -0.00102 0.01425 0.02686 114 4PX -0.01814 -0.00889 -0.00024 -0.00342 0.00410 115 4PY -0.00698 -0.00657 -0.00014 -0.00147 0.00238 116 4PZ 0.01052 -0.01961 -0.00028 0.00458 0.00493 117 5PX 0.48231 0.23070 0.01561 0.38848 -0.39784 118 5PY 0.21078 0.17165 0.01023 0.16650 -0.25659 119 5PZ -0.28999 0.51292 0.02051 -0.46341 -0.44339 120 6PX 0.08787 0.09252 -0.00359 -0.13595 0.12187 121 6PY 0.05189 0.05838 -0.00270 -0.06963 0.08309 122 6PZ -0.04816 0.18145 -0.00633 0.16269 0.13251 123 7D 0 0.03070 -0.13137 0.00374 -0.05928 -0.09616 124 7D+1 0.12554 0.01816 -0.00442 -0.08464 0.10308 125 7D-1 0.04597 0.03860 0.00122 -0.11751 -0.01879 126 7D+2 -0.05140 0.01836 -0.00310 -0.01069 0.08007 127 7D-2 0.01508 0.07227 -0.00117 0.05701 0.02694 128 8D 0 -0.05198 0.21805 -0.00552 0.09047 0.14561 129 8D+1 -0.20851 -0.00862 0.00688 0.12919 -0.16050 130 8D-1 -0.05271 -0.09671 -0.00225 0.18395 0.03275 131 8D+2 0.11499 -0.00856 0.00502 0.01803 -0.12650 132 8D-2 -0.04719 -0.12594 0.00158 -0.08894 -0.03938 133 7 Cu 1S -0.03415 -0.04451 -0.00209 -0.01234 0.04331 134 2S -0.08779 -0.11360 -0.00521 -0.03095 0.10657 135 3S 0.39321 0.55610 0.01224 0.04315 -0.25899 136 4PX 0.00495 0.00886 -0.00298 -0.00112 -0.00271 137 4PY -0.01025 -0.01327 -0.00122 -0.00123 0.00304 138 4PZ 0.00437 -0.00001 0.00701 0.00422 0.00084 139 5PX 0.04046 0.12133 0.00870 0.02341 -0.06446 140 5PY 0.00088 0.02506 -0.00018 -0.01621 0.04806 141 5PZ 0.08660 0.00098 -0.01400 -0.02304 -0.02589 142 6PX -0.00700 0.10244 -0.01087 -0.06524 0.04607 143 6PY 0.05685 0.08674 -0.00195 -0.00598 -0.01278 144 6PZ 0.12512 -0.02973 0.02114 0.06615 0.04647 145 7D 0 0.00886 0.04033 0.18832 0.03094 0.13021 146 7D+1 -0.02235 0.04838 0.15755 0.02810 0.05863 147 7D-1 0.00324 -0.10392 0.09807 0.06134 0.02799 148 7D+2 0.11298 0.11154 -0.08437 -0.08648 0.20002 149 7D-2 -0.08386 -0.07986 -0.08741 -0.07650 0.11362 150 8D 0 -0.00472 -0.07729 -0.30464 -0.04389 -0.21904 151 8D+1 0.05722 -0.06559 -0.26147 -0.04615 -0.08992 152 8D-1 0.00131 0.15123 -0.13977 -0.09325 -0.04156 153 8D+2 -0.16275 -0.14629 0.14238 0.14158 -0.32971 154 8D-2 0.11882 0.12338 0.13393 0.12234 -0.19213 155 8 Cu 1S 0.01881 -0.00194 0.00014 -0.00976 0.00243 156 2S 0.03685 -0.00388 0.00044 0.00806 -0.00115 157 3S -0.44015 0.04162 0.00158 0.95590 -0.20643 158 4PX -0.00062 0.01053 -0.00473 -0.00654 -0.00297 159 4PY 0.00974 0.00625 -0.00328 -0.00365 -0.00220 160 4PZ -0.00081 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-0.00172 -0.00795 180 4PX 0.07051 0.03864 0.00174 0.03346 -0.03921 181 4PY 0.04374 0.02608 0.00114 0.02242 -0.02676 182 4PZ -0.04668 0.08372 0.00217 -0.04626 -0.04564 183 5PX -0.70545 -0.34252 -0.01790 -0.41873 0.42721 184 5PY -0.31638 -0.26194 -0.01187 -0.15676 0.27387 185 5PZ 0.42564 -0.76497 -0.02339 0.49195 0.48136 186 10 O 1S 0.00015 -0.00001 0.00000 0.00030 -0.00007 187 2S -0.00399 0.00013 -0.00004 -0.00592 0.00139 188 3S -0.00002 0.00024 0.00000 0.00783 -0.00047 189 4PX -0.47528 -0.21986 -0.01001 -0.22947 0.23456 190 4PY -0.19504 -0.17379 -0.00665 -0.08557 0.15018 191 4PZ 0.28075 -0.49554 -0.01320 0.27007 0.26484 192 5PX 0.87676 0.41299 0.01982 0.45480 -0.46767 193 5PY 0.37922 0.32264 0.01323 0.18039 -0.30242 194 5PZ -0.52455 0.92794 0.02616 -0.54103 -0.52843 156 157 158 159 160 V V V V V EIGENVALUES -- 0.83493 0.85988 0.86012 0.86420 0.86920 1 1 Cu 1S -0.01348 -0.06540 -0.05586 0.00213 0.06848 2 2S -0.07350 -0.10454 -0.08689 0.00318 0.08061 3 3S -0.07334 0.91531 0.83107 -0.03692 -1.83174 4 4PX -0.00467 0.00559 0.00944 0.00561 0.00398 5 4PY -0.00555 -0.00908 -0.00462 0.00205 -0.01131 6 4PZ -0.00243 0.00760 -0.00595 -0.01306 -0.00103 7 5PX 0.31372 -0.23321 -0.60461 -0.20204 0.11927 8 5PY -0.04637 0.18907 -0.00677 -0.07218 0.37471 9 5PZ 0.15600 -0.59136 0.42253 0.48608 0.39618 10 6PX 0.29814 -0.13134 -0.31347 0.16123 0.19862 11 6PY -0.21969 -0.18421 -0.24934 0.06010 0.22194 12 6PZ 0.14082 -0.33101 0.19774 -0.34381 0.59704 13 7D 0 -0.02353 0.02342 -0.04865 0.03123 -0.09209 14 7D+1 -0.02404 0.02708 -0.04493 0.06459 0.05402 15 7D-1 -0.02649 -0.03479 -0.04807 -0.10356 0.08820 16 7D+2 -0.05917 -0.00803 0.03710 -0.04843 -0.02861 17 7D-2 -0.09969 -0.12005 -0.07101 0.03889 0.00035 18 8D 0 0.06999 -0.02758 0.06989 -0.07346 0.15710 19 8D+1 0.01173 -0.03576 0.08525 -0.12172 -0.09632 20 8D-1 0.03807 0.08665 0.03863 0.14912 -0.16772 21 8D+2 0.10283 0.04029 -0.05013 0.08500 0.05121 22 8D-2 0.17863 0.18949 0.13941 -0.05087 0.00743 23 2 Cu 1S 0.08451 0.00527 -0.03758 -0.00072 -0.00584 24 2S 0.15785 0.00164 -0.01035 -0.00147 -0.00823 25 3S -2.46349 -0.25971 1.87420 0.00987 0.14797 26 4PX -0.01301 0.00075 0.01409 -0.00145 0.00032 27 4PY -0.00257 0.00142 0.00430 -0.00096 0.00016 28 4PZ 0.00856 0.00596 -0.00906 -0.00256 -0.00161 29 5PX 0.34846 0.04327 -0.62480 0.06607 0.02356 30 5PY 0.38308 -0.03496 0.02528 0.04366 0.02109 31 5PZ -0.35764 -0.12106 0.33843 0.11726 0.13211 32 6PX 0.36403 0.08568 -0.02943 -0.06229 -0.06201 33 6PY 0.32709 0.05772 0.03181 -0.03781 -0.01569 34 6PZ -0.34823 0.13460 0.02979 -0.10712 -0.10523 35 7D 0 0.06548 0.00078 -0.06123 0.09258 0.09431 36 7D+1 -0.04426 -0.04930 -0.08432 0.10479 0.09103 37 7D-1 0.05150 0.10181 -0.04382 -0.20721 -0.16275 38 7D+2 0.13080 -0.06753 -0.02487 0.13901 0.12935 39 7D-2 0.07924 0.03716 -0.03006 -0.10348 -0.08504 40 8D 0 -0.11766 0.00103 0.10968 -0.18201 -0.17709 41 8D+1 0.08163 0.09294 0.13364 -0.18356 -0.16937 42 8D-1 -0.07546 -0.18719 0.07894 0.37652 0.30397 43 8D+2 -0.22083 0.12151 0.06311 -0.24714 -0.23853 44 8D-2 -0.15573 -0.06989 0.05692 0.19422 0.15755 45 3 Cu 1S -0.01436 0.07791 -0.03458 -0.00230 -0.07554 46 2S -0.07377 0.12375 -0.05302 -0.00316 -0.08869 47 3S -0.01842 -1.10593 0.52561 0.04831 2.00908 48 4PX 0.00106 -0.00307 0.01080 -0.01270 -0.00689 49 4PY -0.00138 0.01349 0.00028 -0.00671 0.01077 50 4PZ 0.00713 0.00262 -0.00223 0.00118 -0.00382 51 5PX 0.07295 -0.07777 -0.70231 0.46848 0.31847 52 5PY -0.22315 -0.50787 -0.19181 0.25482 -0.08765 53 5PZ -0.25364 -0.35162 0.23820 -0.03295 0.47850 54 6PX 0.13242 -0.17107 -0.32043 -0.34791 0.33227 55 6PY -0.34516 -0.03297 -0.21236 -0.19525 0.15397 56 6PZ -0.14650 -0.38420 0.21245 0.04772 0.53327 57 7D 0 -0.09909 0.10886 -0.03139 -0.00144 -0.08328 58 7D+1 0.00542 0.01002 -0.08212 -0.01083 -0.04529 59 7D-1 -0.01775 -0.06500 -0.00577 0.01250 0.02244 60 7D+2 -0.03666 0.04766 0.00531 0.11654 0.02303 61 7D-2 -0.06058 0.04510 -0.03816 -0.08004 0.10959 62 8D 0 0.15095 -0.19320 0.06305 -0.00264 0.14369 63 8D+1 -0.01342 -0.01639 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-0.04028 -0.00370 0.01128 84 8D 0 -0.03001 0.65878 -0.13269 -0.01195 0.00584 85 8D+1 -0.00464 -0.18937 -0.66721 0.01200 0.05586 86 8D-1 -0.01871 0.01224 -0.40576 -0.00086 -0.08873 87 8D+2 -0.02957 -0.21981 0.05751 0.00388 0.05751 88 8D-2 -0.03118 -0.32585 0.06502 0.00684 -0.02088 89 5 Cu 1S 0.09442 -0.03019 0.01163 0.00114 0.05544 90 2S 0.17837 -0.00299 -0.00146 0.00096 0.07033 91 3S -2.59015 1.59166 -0.65671 -0.04201 -1.50483 92 4PX -0.00238 0.00378 0.00359 0.00257 -0.00107 93 4PY 0.00188 0.00039 0.00209 0.00131 -0.00151 94 4PZ -0.01598 0.01466 -0.00668 -0.00068 -0.01203 95 5PX -0.08640 -0.18687 -0.01206 -0.11870 0.07060 96 5PY 0.26059 0.16792 -0.11806 -0.06514 0.08685 97 5PZ 0.60993 -0.56858 0.24957 0.02780 0.53175 98 6PX -0.03994 0.05577 0.13478 0.11436 0.04893 99 6PY 0.20328 0.03160 0.05222 0.05227 -0.23468 100 6PZ 0.52991 -0.03584 -0.01549 -0.01392 -0.10471 101 7D 0 0.10798 0.05149 -0.02298 -0.00733 -0.01896 102 7D+1 0.02374 0.00672 -0.00594 0.04977 -0.05779 103 7D-1 -0.03425 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-0.24270 0.17855 162 5PY -0.28375 -0.18225 -0.55203 -0.16575 0.15834 163 5PZ 0.23297 -0.66348 0.20654 -0.41079 0.40603 164 6PX -0.05683 -0.10645 -0.41495 0.19531 0.30703 165 6PY -0.34087 -0.10082 -0.04266 0.14429 0.23511 166 6PZ 0.17707 -0.30310 0.19168 0.34251 0.62453 167 7D 0 -0.04420 0.06709 0.03281 -0.03251 -0.00712 168 7D+1 0.04070 -0.01502 -0.07970 -0.05494 -0.05080 169 7D-1 0.00782 -0.01757 0.03540 0.09960 0.05655 170 7D+2 -0.05790 -0.03327 0.12130 -0.06939 -0.04621 171 7D-2 -0.09088 -0.04329 0.02515 0.04221 0.01215 172 8D 0 0.09598 -0.09052 -0.05828 0.08053 -0.00124 173 8D+1 -0.04195 -0.00653 0.13454 0.07522 0.10478 174 8D-1 0.01113 0.05657 -0.03770 -0.16092 -0.11143 175 8D+2 0.10790 0.02257 -0.20059 0.10145 0.09687 176 8D-2 0.16299 0.07493 -0.06764 -0.08109 -0.01839 177 9 C 1S -0.05838 -0.00012 0.00066 0.00005 0.00031 178 2S 1.46306 0.00615 -0.02946 -0.00095 -0.01034 179 3S -2.55942 -0.00754 0.03599 0.00151 0.01383 180 4PX 0.06489 0.00597 0.01884 -0.00005 -0.02392 181 4PY -0.12772 0.00311 0.01497 -0.00015 -0.01663 182 4PZ 0.01549 0.01445 -0.01312 -0.00129 -0.04968 183 5PX 0.11264 -0.04884 -0.11021 0.00435 -0.12240 184 5PY -0.16463 -0.03867 -0.04703 0.00203 -0.09193 185 5PZ -0.00522 -0.11993 0.05998 -0.00349 -0.25857 186 10 O 1S 0.01065 0.00006 -0.00027 -0.00001 0.00000 187 2S -0.01173 0.00028 -0.00148 0.00003 -0.00102 188 3S 0.17228 -0.00034 0.00207 -0.00006 0.00054 189 4PX 0.12487 -0.02754 -0.07171 0.00165 -0.01595 190 4PY -0.24547 -0.02241 -0.02926 0.00102 -0.01100 191 4PZ 0.02481 -0.06935 0.03934 -0.00030 -0.03343 192 5PX -0.07042 0.05824 0.13579 -0.00400 0.06376 193 5PY 0.11549 0.04366 0.07000 -0.00194 0.05051 194 5PZ 0.00117 0.14292 -0.07890 0.00180 0.13726 161 162 163 164 165 V V V V V EIGENVALUES -- 0.87114 0.88266 0.88391 0.89055 0.93551 1 1 Cu 1S 0.04248 -0.00156 0.00002 0.02282 0.05900 2 2S 0.04568 0.00430 0.00409 -0.03015 0.03217 3 3S -1.18612 0.46670 0.22060 -2.78437 -1.88421 4 4PX 0.00284 -0.00227 -0.00030 -0.01904 -0.00973 5 4PY -0.00881 0.00195 0.00263 -0.01224 -0.02008 6 4PZ -0.00003 0.00299 -0.00474 -0.01015 -0.00769 7 5PX 0.25473 -0.32044 -0.08666 0.35488 0.05422 8 5PY 0.36154 0.06879 0.08657 0.52492 0.56512 9 5PZ -0.20881 0.02419 -0.24366 0.23678 0.11923 10 6PX 0.50441 0.74222 0.07397 0.38715 0.13605 11 6PY 0.21841 -0.52601 -0.51331 -0.17000 0.11449 12 6PZ -0.32059 -0.25896 0.76022 0.07523 0.05826 13 7D 0 -0.05837 -0.09694 0.08762 -0.08699 -0.05914 14 7D+1 0.08072 0.06902 0.13433 -0.00571 0.04125 15 7D-1 -0.03088 -0.09797 0.12424 0.01827 0.03934 16 7D+2 -0.03914 0.17021 0.08114 -0.13774 -0.04346 17 7D-2 0.02526 0.04434 -0.07819 -0.02149 0.03377 18 8D 0 0.11154 0.15333 -0.15666 0.19142 0.11973 19 8D+1 -0.13835 -0.09672 -0.22443 -0.00147 -0.05976 20 8D-1 0.07164 0.15564 -0.18921 -0.03390 -0.06362 21 8D+2 0.07476 -0.28569 -0.12528 0.27798 0.11619 22 8D-2 -0.05337 -0.06927 0.12807 0.07097 -0.02643 23 2 Cu 1S 0.06486 0.00260 -0.02835 -0.04530 -0.08629 24 2S 0.08910 0.00666 -0.06992 -0.09519 -0.20798 25 3S -1.67597 -0.01143 0.08957 0.94076 -0.53406 26 4PX -0.01009 -0.00647 -0.00359 0.00565 -0.00328 27 4PY -0.00419 -0.00558 0.00920 0.01281 -0.01136 28 4PZ 0.00724 -0.01124 -0.00299 -0.00877 0.00655 29 5PX 0.42416 0.07640 0.08293 -0.08560 0.05503 30 5PY 0.23257 0.06845 -0.17351 0.06162 0.50217 31 5PZ -0.32550 0.14364 0.03636 0.02800 -0.23635 32 6PX 0.00764 -0.24869 -0.11771 -0.37469 0.00490 33 6PY -0.20297 -0.22600 0.52093 0.13657 0.14061 34 6PZ 0.05402 -0.44479 -0.19406 0.15364 -0.06198 35 7D 0 -0.13807 -0.03571 0.00603 0.09468 -0.05022 36 7D+1 -0.06360 0.10574 0.04554 0.12742 -0.00628 37 7D-1 -0.19213 -0.13497 0.07217 0.05986 -0.14992 38 7D+2 -0.16935 0.12021 0.05202 -0.00512 -0.16444 39 7D-2 -0.09311 -0.01696 -0.05531 0.07585 0.03371 40 8D 0 0.26100 0.05538 -0.01154 -0.18405 0.09702 41 8D+1 0.12760 -0.18561 -0.07696 -0.22006 0.01840 42 8D-1 0.34501 0.24089 -0.12466 -0.09988 0.30212 43 8D+2 0.29789 -0.21179 -0.09232 0.00007 0.32344 44 8D-2 0.18788 0.03486 0.09393 -0.16725 -0.07633 45 3 Cu 1S 0.03214 0.00005 0.00090 0.02337 0.05847 46 2S 0.03419 -0.00478 0.00337 -0.02955 0.03189 47 3S -0.89920 -0.38057 0.11169 -2.81158 -1.85938 48 4PX 0.00306 0.00344 0.00362 0.00138 0.00683 49 4PY -0.00601 -0.00121 0.00421 0.00172 -0.00841 50 4PZ 0.00207 -0.00051 0.00049 0.02468 0.02080 51 5PX 0.25594 0.20253 0.12986 -0.14996 -0.23753 52 5PY 0.29580 -0.18895 0.20590 0.16265 0.35710 53 5PZ -0.26050 -0.19026 0.05947 -0.64708 -0.38199 54 6PX 0.48509 -0.72307 -0.49904 0.18105 -0.00330 55 6PY 0.22655 0.63246 -0.75038 -0.28632 0.00881 56 6PZ -0.31811 0.21827 -0.00604 -0.23204 -0.18184 57 7D 0 0.03927 -0.11322 0.01561 -0.02155 0.06316 58 7D+1 0.01042 0.14855 0.14151 0.05801 0.03553 59 7D-1 -0.01453 -0.12173 0.17352 -0.11586 -0.03863 60 7D+2 -0.08847 0.06472 0.05619 -0.05581 -0.02673 61 7D-2 -0.00605 0.00574 -0.03448 -0.09377 -0.04703 62 8D 0 -0.07117 0.17564 -0.01809 0.05206 -0.07476 63 8D+1 -0.00438 -0.24800 -0.23841 -0.11372 -0.07279 64 8D-1 0.03865 0.19759 -0.28514 0.21855 0.09196 65 8D+2 0.17070 -0.09273 -0.07830 0.12963 0.06371 66 8D-2 0.00415 -0.00712 0.04243 0.21499 0.11159 67 4 Cu 1S 0.00418 0.00365 -0.01086 -0.16656 -0.12029 68 2S 0.00911 0.00676 -0.02105 -0.29447 -0.23676 69 3S -0.01611 -0.07304 0.18878 4.05342 1.72598 70 4PX -0.00290 0.00596 0.01046 -0.01386 -0.00448 71 4PY -0.00137 0.00390 0.00617 0.02446 0.00815 72 4PZ 0.00197 0.01196 -0.00724 -0.00165 -0.00074 73 5PX 0.04468 -0.10265 -0.15864 0.50106 0.14993 74 5PY 0.02163 -0.05436 -0.12108 -0.91249 -0.28430 75 5PZ -0.03114 -0.19665 0.11960 0.07762 0.03015 76 6PX -0.15175 0.23704 0.47863 0.26053 0.22191 77 6PY -0.06859 0.18905 0.18906 -0.54232 -0.41225 78 6PZ 0.10104 0.49952 -0.29762 0.08384 0.03777 79 7D 0 0.01318 -0.11332 0.02718 0.10240 0.11435 80 7D+1 0.04933 0.10791 0.08912 -0.01620 -0.01553 81 7D-1 0.00172 -0.10226 0.14002 0.01860 0.03048 82 7D+2 -0.03699 0.10749 0.09094 0.09940 0.11020 83 7D-2 0.01829 0.02983 -0.07794 0.16012 0.16679 84 8D 0 -0.02406 0.20494 -0.05035 -0.21042 -0.22836 85 8D+1 -0.08856 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0.23152 -0.16633 88 8D-2 0.07649 0.22316 -0.03646 -0.01215 0.28773 89 5 Cu 1S 0.08506 -0.01364 -0.01665 -0.00304 -0.00347 90 2S 0.16429 -0.03197 -0.03849 0.03654 0.02565 91 3S 0.07185 0.10680 0.13484 -0.11315 -0.07122 92 4PX -0.00411 -0.01444 0.00551 -0.00817 0.00176 93 4PY 0.00712 -0.00007 0.01278 0.00485 0.00807 94 4PZ -0.00046 0.00322 0.00154 -0.00480 -0.00438 95 5PX -0.02796 0.24173 -0.07440 0.07609 -0.04077 96 5PY 0.09337 -0.02401 -0.23110 -0.02851 -0.07569 97 5PZ 0.17754 -0.06214 -0.03941 -0.03699 -0.02123 98 6PX -0.12025 0.03390 0.00426 -0.03949 0.06563 99 6PY 0.19376 -0.02341 -0.05140 -0.02027 0.03568 100 6PZ -0.07981 -0.02087 -0.02305 0.09765 0.06206 101 7D 0 0.18363 -0.07452 -0.03462 0.06277 0.06791 102 7D+1 0.02619 0.18689 -0.09570 0.11077 -0.03762 103 7D-1 0.03888 0.03003 -0.11355 -0.03198 -0.07766 104 7D+2 -0.06813 -0.15778 -0.01178 -0.07356 0.03289 105 7D-2 -0.09193 -0.02733 -0.20062 -0.01562 -0.09055 106 8D 0 -0.41334 0.15225 0.06951 -0.11169 -0.12814 107 8D+1 -0.05192 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0.00193 186 10 O 1S -0.00053 -0.00005 0.00017 0.00006 -0.00004 187 2S -0.07282 0.00085 -0.00342 0.00063 0.00027 188 3S 0.05663 -0.00061 0.00481 -0.00278 -0.00064 189 4PX -0.03298 0.00855 -0.00539 0.00042 -0.00068 190 4PY 0.08334 0.00465 0.00135 -0.00124 -0.00016 191 4PZ -0.01749 0.00839 0.00826 -0.00145 -0.00142 192 5PX 0.02666 -0.02002 0.01142 0.00796 -0.00930 193 5PY -0.08441 -0.01211 0.00328 0.00076 -0.00600 194 5PZ 0.02585 -0.01952 -0.02248 -0.00818 -0.00519 171 172 173 174 175 V V V V V EIGENVALUES -- 1.08670 1.17078 1.17960 1.17974 1.23148 1 1 Cu 1S -0.00592 0.01659 -0.02283 0.01267 0.03598 2 2S -0.04749 0.07970 -0.17439 0.08974 0.09025 3 3S -0.61301 0.37700 -1.29167 0.64561 -0.00563 4 4PX -0.01860 0.01426 0.00112 0.00748 -0.00661 5 4PY 0.00574 -0.00913 -0.01070 0.00804 0.01360 6 4PZ -0.00753 0.00514 -0.00943 -0.01256 0.00902 7 5PX 0.17768 0.70344 1.19246 0.09271 -0.02013 8 5PY 0.18133 -1.04953 0.34672 0.03236 -0.18594 9 5PZ 0.11063 0.17293 -0.11582 -1.44115 -0.05199 10 6PX 0.14722 0.54815 0.65877 0.08383 -0.08829 11 6PY 0.00611 -0.79829 0.23448 0.02202 0.11166 12 6PZ 0.07202 0.13432 -0.10052 -0.85638 0.10021 13 7D 0 0.07995 -0.03374 -0.04900 -0.07114 0.06059 14 7D+1 -0.03872 0.11035 0.04525 -0.04871 -0.06056 15 7D-1 0.02785 -0.02193 -0.07562 -0.18508 -0.03410 16 7D+2 0.03506 0.15215 0.06417 -0.03880 0.14763 17 7D-2 0.11957 -0.03690 0.06972 0.07742 0.03695 18 8D 0 -0.15273 0.12975 0.14362 0.16832 -0.15936 19 8D+1 0.08720 -0.32462 -0.16713 0.11535 0.15864 20 8D-1 -0.06130 0.06580 0.20638 0.55789 0.07738 21 8D+2 -0.04141 -0.40648 -0.17009 0.13110 -0.36869 22 8D-2 -0.23724 0.14182 -0.22872 -0.20864 -0.09498 23 2 Cu 1S 0.00986 0.09509 0.15748 0.10754 -0.01280 24 2S 0.02235 0.13527 0.16630 0.11365 -0.00702 25 3S -0.08253 -1.73611 -3.67953 -2.51366 0.14365 26 4PX -0.00532 -0.01474 -0.03432 -0.01922 0.00327 27 4PY -0.01000 0.00518 -0.01183 -0.00530 -0.01945 28 4PZ 0.00702 0.00649 0.01975 0.02070 0.00581 29 5PX 0.10688 0.59057 1.32971 0.74836 -0.06657 30 5PY 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4PX -0.00806 -0.02477 -0.00425 -0.00012 0.01294 71 4PY 0.01516 0.04605 -0.00211 0.00022 0.00594 72 4PZ -0.00159 -0.00451 0.00011 0.00463 -0.00941 73 5PX 0.14434 0.90197 0.21825 0.00469 -0.09931 74 5PY -0.26264 -1.68178 0.11089 -0.01718 -0.04388 75 5PZ 0.02453 0.16080 -0.00193 -0.24753 0.07034 76 6PX 0.04693 0.21015 -0.30373 -0.00886 -0.01294 77 6PY -0.08883 -0.38216 -0.16826 0.02400 0.00256 78 6PZ 0.00749 0.03548 0.00593 0.34571 0.00755 79 7D 0 0.06281 0.16458 0.00230 0.00470 0.00800 80 7D+1 -0.00846 -0.02309 -0.01039 0.03267 0.02921 81 7D-1 0.01783 0.04334 -0.00628 -0.06393 0.07672 82 7D+2 0.06088 0.16027 -0.05883 0.00591 0.05513 83 7D-2 0.09235 0.24137 0.03933 0.00710 -0.05323 84 8D 0 -0.12453 -0.41765 -0.01201 0.01128 -0.01660 85 8D+1 0.01690 0.05818 0.05153 -0.08077 -0.06131 86 8D-1 -0.03528 -0.10980 0.02856 0.17330 -0.17523 87 8D+2 -0.12038 -0.40712 0.15427 -0.02382 -0.13042 88 8D-2 -0.18342 -0.61258 -0.09848 -0.02955 0.12337 89 5 Cu 1S 0.00439 0.09526 0.01573 -0.18979 0.00729 90 2S 0.00680 0.13403 0.01723 -0.19884 0.00678 91 3S -0.05253 -1.77514 -0.35636 4.42695 -0.05298 92 4PX 0.00302 -0.00565 -0.00653 0.00400 -0.01314 93 4PY -0.00768 0.00801 -0.00349 0.00105 0.00509 94 4PZ -0.01053 -0.01414 -0.00331 0.04959 0.00451 95 5PX -0.05100 0.22786 0.26625 -0.31696 0.12713 96 5PY 0.13094 -0.32310 0.10172 0.32338 -0.03252 97 5PZ 0.21040 0.56682 0.10891 -1.71672 -0.02206 98 6PX -0.02189 -0.17889 -0.23773 -0.18264 -0.07020 99 6PY 0.01874 0.38444 -0.15802 0.23108 -0.05554 100 6PZ -0.05353 0.22911 0.05665 -0.34598 0.04079 101 7D 0 0.17061 0.05829 0.00733 -0.27772 -0.03321 102 7D+1 -0.02732 0.06593 0.07875 -0.07761 0.04328 103 7D-1 0.07667 -0.09988 0.03423 0.06507 -0.02775 104 7D+2 0.06907 -0.00793 0.01626 0.01025 0.04954 105 7D-2 0.11017 -0.03145 -0.00487 0.02675 -0.01723 106 8D 0 -0.37737 -0.15315 -0.01868 0.70946 0.07571 107 8D+1 0.06024 -0.17198 -0.20014 0.20789 -0.10751 108 8D-1 -0.16782 0.26581 -0.08774 -0.18491 0.06089 109 8D+2 -0.15776 0.00425 -0.06465 -0.02877 -0.12177 110 8D-2 -0.25031 0.05812 0.02856 -0.07131 0.04780 111 6 Cu 1S 0.04627 -0.02045 -0.00530 -0.00539 0.00175 112 2S 0.25570 -0.18921 -0.01466 -0.01471 0.00211 113 3S 0.52854 -1.23704 0.00281 0.01247 -0.00923 114 4PX 0.00832 -0.01379 0.02486 0.00035 0.01447 115 4PY -0.01477 0.02510 0.01445 -0.00121 0.00483 116 4PZ 0.00107 -0.00212 -0.00058 -0.02870 -0.00977 117 5PX -0.76216 0.37354 0.86206 0.04420 -0.22804 118 5PY 1.43687 -0.69879 0.40852 -0.11603 -0.10549 119 5PZ -0.14637 0.06251 -0.00458 -0.93816 0.16458 120 6PX 0.05421 0.38050 0.36842 0.00941 0.28720 121 6PY -0.06761 -0.72373 0.21233 -0.01959 0.13186 122 6PZ -0.00895 0.07297 -0.01176 -0.42425 -0.20855 123 7D 0 0.09740 -0.02547 -0.02389 0.05958 0.07383 124 7D+1 -0.01640 0.00277 0.10383 -0.06416 0.19315 125 7D-1 0.02402 -0.00740 0.05657 0.17531 -0.06975 126 7D+2 0.09779 -0.02617 0.14988 -0.04080 -0.21470 127 7D-2 0.15068 -0.03715 -0.08510 -0.05496 0.13507 128 8D 0 -0.16606 0.09245 0.07590 -0.20201 -0.19645 129 8D+1 0.02728 -0.01108 -0.32990 0.17901 -0.51191 130 8D-1 -0.03773 0.02704 -0.17884 -0.51298 0.17029 131 8D+2 -0.16502 0.09436 -0.43351 0.12723 0.55385 132 8D-2 -0.26072 0.13495 0.23924 0.17137 -0.34798 133 7 Cu 1S 0.00531 0.09552 -0.17088 0.08328 0.00829 134 2S 0.01045 0.13355 -0.17859 0.08787 0.00796 135 3S -0.05608 -1.79034 3.99449 -1.93731 -0.06126 136 4PX 0.01232 0.00539 -0.03389 0.01330 -0.01289 137 4PY -0.00106 0.01590 -0.02516 0.01088 0.00625 138 4PZ 0.00523 0.00478 -0.01563 0.01484 0.00553 139 5PX -0.23147 -0.21711 0.99256 -0.35266 0.09748 140 5PY 0.00441 -0.63536 1.16786 -0.52315 -0.05814 141 5PZ -0.09818 -0.18768 0.48445 -0.50673 -0.07052 142 6PX 0.01943 -0.39778 0.03852 -0.14887 -0.05077 143 6PY 0.05248 0.22970 0.37153 -0.22954 -0.04745 144 6PZ 0.02406 -0.14612 0.21044 0.18681 0.06783 145 7D 0 0.05042 -0.04727 0.11043 0.00428 0.02297 146 7D+1 0.05477 0.00793 -0.10373 0.08802 -0.04140 147 7D-1 0.04220 0.05675 -0.09872 0.10012 0.05055 148 7D+2 0.14538 -0.09552 0.01357 -0.02375 -0.03968 149 7D-2 0.15921 0.06536 -0.20176 0.06206 -0.01896 150 8D 0 -0.11754 0.10373 -0.28426 -0.00333 -0.05279 151 8D+1 -0.11656 -0.00722 0.26681 -0.21121 0.09364 152 8D-1 -0.09358 -0.14865 0.24776 -0.27727 -0.12906 153 8D+2 -0.32245 0.24459 -0.05453 0.06015 0.09159 154 8D-2 -0.35603 -0.18729 0.52280 -0.15408 0.04807 155 8 Cu 1S -0.00671 0.01731 0.02365 0.01694 -0.07491 156 2S -0.04967 0.08170 0.16693 0.11646 -0.18821 157 3S -0.59431 0.38367 1.19400 0.81703 0.03462 158 4PX 0.00505 0.00013 -0.00504 -0.01345 0.02146 159 4PY 0.01715 -0.01652 0.00805 -0.00135 -0.02173 160 4PZ -0.00978 0.00655 0.01158 -0.00895 -0.00402 161 5PX -0.23289 0.49938 1.01501 -0.15316 -0.33259 162 5PY -0.02625 -1.16887 0.78513 -0.05716 0.19087 163 5PZ 0.14775 0.18932 0.11282 -1.38842 0.11850 164 6PX -0.07006 0.36718 0.59648 -0.11537 0.16230 165 6PY -0.10683 -0.88573 0.42886 -0.07242 -0.19418 166 6PZ 0.08777 0.14821 0.10781 -0.82358 -0.02200 167 7D 0 0.06894 -0.00506 0.06100 -0.09782 -0.17399 168 7D+1 -0.00748 -0.04506 -0.03112 0.13584 -0.11869 169 7D-1 0.05342 -0.13388 0.10217 -0.05245 0.01401 170 7D+2 0.09684 -0.08697 -0.07173 0.10644 0.02421 171 7D-2 0.07674 0.10574 -0.06700 -0.01416 -0.26670 172 8D 0 -0.12828 0.04532 -0.15980 0.24597 0.44440 173 8D+1 0.01546 0.13331 0.05962 -0.41529 0.30363 174 8D-1 -0.12174 0.39259 -0.31788 0.17304 -0.02100 175 8D+2 -0.20181 0.27156 0.23410 -0.30086 -0.04856 176 8D-2 -0.12668 -0.26083 0.18077 0.06636 0.66977 177 9 C 1S 0.01775 -0.00175 0.00095 0.00075 -0.00100 178 2S -0.68783 -0.13245 0.01250 0.01191 0.01223 179 3S 1.59356 0.03083 -0.02018 -0.01988 -0.02700 180 4PX 0.11742 -0.03868 0.00467 0.00398 -0.06826 181 4PY -0.23641 0.07780 -0.00662 -0.00626 -0.02336 182 4PZ 0.02993 -0.00996 0.00014 0.00065 0.04699 183 5PX -0.26645 -0.08261 0.29878 0.01791 -0.07385 184 5PY 0.51454 0.15019 0.14039 -0.03685 -0.04638 185 5PZ -0.05980 -0.01332 -0.00539 -0.32547 0.05967 186 10 O 1S 0.00166 -0.00531 -0.00094 -0.00072 0.00102 187 2S -0.00628 0.00294 0.01589 0.01273 -0.01275 188 3S -0.13804 0.10582 -0.02163 -0.01750 0.01519 189 4PX 0.00498 -0.00330 0.08673 0.00537 -0.01526 190 4PY -0.00953 0.01213 0.04528 -0.00732 -0.00980 191 4PZ 0.00063 -0.00365 -0.00376 -0.09473 0.01246 192 5PX 0.06582 -0.04557 -0.24986 -0.01103 0.07906 193 5PY -0.12990 0.08617 -0.13975 0.01454 0.04234 194 5PZ 0.01619 -0.00765 0.01071 0.27912 -0.06083 176 177 178 179 180 V V V V V EIGENVALUES -- 1.23322 1.28210 1.31034 1.31070 1.31675 1 1 Cu 1S -0.06205 -0.00055 -0.02827 -0.03793 0.00823 2 2S -0.15619 -0.00176 -0.08833 -0.12057 0.04991 3 3S 0.02366 -0.00795 -0.53206 -0.76815 1.35532 4 4PX 0.00240 0.00447 -0.03620 -0.01925 -0.00502 5 4PY -0.02615 0.00107 -0.00133 0.00969 0.04281 6 4PZ 0.00320 -0.00989 0.02440 -0.03660 0.00994 7 5PX 0.04111 0.01666 0.77969 0.49537 -0.09039 8 5PY 0.33127 0.01525 0.13682 -0.03096 -1.15163 9 5PZ 0.06583 -0.03853 -0.41033 0.78022 -0.47996 10 6PX 0.03751 -0.01306 -0.49604 -0.14814 -0.40964 11 6PY -0.22408 -0.01105 0.09284 0.33795 0.48230 12 6PZ 0.05469 0.04330 0.51089 -0.51939 -0.04719 13 7D 0 -0.19441 0.17609 -0.01667 -0.07299 -0.05470 14 7D+1 0.01683 0.18795 0.13576 0.04594 -0.01387 15 7D-1 0.05788 -0.03541 -0.10135 0.13418 -0.14894 16 7D+2 -0.20220 -0.11061 -0.02216 0.08701 0.08251 17 7D-2 -0.04255 -0.02403 0.09179 0.02192 -0.26203 18 8D 0 0.49734 -0.47654 0.02878 0.24262 0.16697 19 8D+1 -0.05252 -0.51371 -0.41775 -0.11137 0.04551 20 8D-1 -0.14866 0.11193 0.29374 -0.38645 0.42662 21 8D+2 0.50248 0.30399 0.09130 -0.24408 -0.21587 22 8D-2 0.11792 0.05866 -0.24734 -0.05276 0.75259 23 2 Cu 1S 0.00064 0.00017 -0.00430 0.00584 -0.00159 24 2S 0.00185 0.00023 -0.00294 -0.00068 -0.00083 25 3S 0.00506 -0.00168 -0.00285 0.00633 0.01895 26 4PX 0.00532 0.00948 0.00449 0.00125 -0.00892 27 4PY 0.00342 0.00669 0.00499 -0.00272 -0.00707 28 4PZ 0.00895 0.01638 0.00643 0.00528 -0.01641 29 5PX -0.05614 -0.15641 -0.21568 -0.33777 -0.07221 30 5PY -0.03500 -0.10731 -0.58251 0.70648 -0.02747 31 5PZ -0.08961 -0.26973 -0.43495 -0.44614 -0.10227 32 6PX 0.04728 0.07708 0.19586 0.23274 0.04716 33 6PY 0.03441 0.05149 0.43730 -0.49584 0.02083 34 6PZ 0.08412 0.13220 0.35900 0.35345 0.08376 35 7D 0 0.01886 0.07958 0.11614 0.06036 -0.04560 36 7D+1 -0.03457 -0.08894 -0.08164 -0.08003 0.02443 37 7D-1 0.03391 0.07011 0.12175 -0.11912 -0.00815 38 7D+2 -0.03687 -0.08862 -0.04742 -0.13741 0.02108 39 7D-2 0.00155 -0.01674 -0.10098 0.11407 0.02502 40 8D 0 -0.04850 -0.21576 -0.33793 -0.18708 0.08793 41 8D+1 0.08750 0.23489 0.24140 0.23165 -0.04719 42 8D-1 -0.08609 -0.18107 -0.35772 0.35142 0.01946 43 8D+2 0.09338 0.23310 0.13985 0.40254 -0.04155 44 8D-2 -0.00359 0.04780 0.30372 -0.34991 -0.05212 45 3 Cu 1S 0.06244 0.00039 0.04663 -0.00371 -0.00823 46 2S 0.15654 0.00112 0.14916 -0.01292 -0.04583 47 3S -0.03008 0.00075 0.96069 -0.10505 -1.17525 48 4PX -0.00753 -0.00960 0.01443 0.03827 0.02354 49 4PY 0.02311 -0.00472 -0.02259 0.02380 -0.02456 50 4PZ -0.01119 0.00097 -0.03016 -0.00117 0.01963 51 5PX 0.13000 -0.03650 -0.23277 -0.72364 -0.72941 52 5PY -0.20973 -0.02673 0.37171 -0.44737 0.45961 53 5PZ 0.23436 0.00395 0.83479 -0.00788 -0.73190 54 6PX -0.05438 0.04190 0.30976 0.63933 0.33546 55 6PY 0.22057 0.02933 -0.39444 0.40592 -0.44956 56 6PZ -0.07560 -0.00260 -0.17671 -0.05313 -0.06304 57 7D 0 -0.00712 0.03526 -0.15690 0.01293 0.17322 58 7D+1 -0.07857 -0.20454 -0.00478 -0.00063 0.14806 59 7D-1 0.16795 -0.08869 -0.04292 0.02808 -0.10702 60 7D+2 0.09911 0.13210 0.04522 0.16303 0.08323 61 7D-2 0.20550 -0.11262 0.02090 -0.11434 0.09747 62 8D 0 0.01996 -0.09468 0.43654 -0.04334 -0.50072 63 8D+1 0.19632 0.54978 0.02335 0.04188 -0.42253 64 8D-1 -0.41064 0.23632 0.11377 -0.06037 0.28838 65 8D+2 -0.25441 -0.37257 -0.14491 -0.48792 -0.24506 66 8D-2 -0.52993 0.31451 -0.07986 0.34991 -0.28804 67 4 Cu 1S 0.00112 0.00001 0.00039 -0.00091 0.00132 68 2S 0.00249 0.00002 0.00133 -0.00191 0.00330 69 3S -0.00364 -0.00013 -0.01790 0.01933 0.00008 70 4PX -0.00779 0.00002 0.00124 0.00830 -0.01463 71 4PY -0.00552 -0.00001 0.00158 0.00435 -0.00949 72 4PZ -0.01401 -0.00016 0.00966 -0.00175 -0.01947 73 5PX 0.05932 -0.00165 0.04283 0.35453 0.43661 74 5PY 0.04063 -0.00087 0.05983 0.18085 0.28669 75 5PZ 0.10412 -0.00043 0.37379 -0.08124 0.58990 76 6PX 0.00657 0.00175 -0.03562 -0.27353 -0.34173 77 6PY 0.00657 0.00110 -0.04344 -0.14518 -0.22735 78 6PZ 0.01511 0.00154 -0.29141 0.06309 -0.46337 79 7D 0 0.03586 -0.00014 0.00687 0.00232 0.03834 80 7D+1 -0.05903 -0.00024 -0.01939 -0.01405 -0.16546 81 7D-1 0.06151 0.00049 0.03809 -0.01973 0.18313 82 7D+2 -0.06186 0.00051 -0.01159 -0.03936 -0.20439 83 7D-2 0.00004 -0.00037 -0.00517 0.02630 0.06137 84 8D 0 -0.07710 0.00049 -0.00666 -0.00702 -0.11006 85 8D+1 0.13530 0.00037 0.07344 0.03196 0.46161 86 8D-1 -0.14439 -0.00107 -0.13995 0.06034 -0.50804 87 8D+2 0.14252 -0.00156 0.03801 0.14376 0.56840 88 8D-2 -0.00386 0.00095 0.01004 -0.09701 -0.16806 89 5 Cu 1S 0.01122 -0.00007 -0.00064 0.00140 -0.01509 90 2S 0.00624 -0.00059 -0.01709 0.00447 -0.01441 91 3S -0.12011 -0.00467 0.01790 0.00322 0.13476 92 4PX -0.00326 -0.01755 0.00224 0.00856 -0.00882 93 4PY 0.01869 -0.00910 -0.00244 0.00449 -0.00917 94 4PZ 0.00523 0.00169 -0.00350 -0.00047 0.00326 95 5PX 0.01685 0.29041 -0.45430 -0.59474 -0.16442 96 5PY -0.15555 0.15347 0.77254 -0.40833 0.12091 97 5PZ 0.00348 -0.02651 0.20673 0.04317 -0.01392 98 6PX 0.06687 -0.14198 0.33680 0.48201 0.11573 99 6PY -0.00381 -0.07663 -0.56668 0.31906 -0.07087 100 6PZ 0.05268 0.01444 -0.17273 -0.03593 -0.05470 101 7D 0 -0.04250 -0.01870 0.07696 0.02230 0.02551 102 7D+1 0.01536 0.10402 -0.10474 -0.15104 0.01306 103 7D-1 -0.08705 0.06534 0.19497 -0.11168 0.05862 104 7D+2 -0.00487 0.09474 -0.04349 -0.08588 0.00356 105 7D-2 0.02719 -0.05149 -0.01432 0.04310 0.00398 106 8D 0 0.09216 0.05014 -0.22920 -0.06559 -0.07517 107 8D+1 -0.03374 -0.28014 0.31368 0.44456 -0.00727 108 8D-1 0.20509 -0.17526 -0.58365 0.33050 -0.15076 109 8D+2 0.01966 -0.24614 0.11911 0.25308 -0.00551 110 8D-2 -0.06102 0.13282 0.02885 -0.12473 -0.01468 111 6 Cu 1S 0.00018 -0.00002 0.00256 -0.00298 0.00009 112 2S 0.00010 -0.00007 0.00595 -0.00752 -0.00046 113 3S 0.00506 0.00006 -0.01968 0.01638 -0.01274 114 4PX -0.00805 -0.00026 -0.00658 -0.04804 -0.00850 115 4PY -0.00619 -0.00015 -0.00930 -0.02461 -0.00562 116 4PZ -0.01472 -0.00018 -0.05379 0.01031 -0.01219 117 5PX 0.13679 0.01025 0.19327 1.28859 -0.10971 118 5PY 0.10576 0.00601 0.23040 0.68065 -0.08191 119 5PZ 0.24995 0.00601 1.46408 -0.27709 -0.13462 120 6PX -0.17771 -0.00577 -0.11942 -0.70633 -0.01119 121 6PY -0.12745 -0.00338 -0.14751 -0.36439 -0.01032 122 6PZ -0.32001 -0.00321 -0.82489 0.13339 -0.02680 123 7D 0 0.17265 0.00056 -0.12625 -0.01975 -0.05794 124 7D+1 0.07241 0.00135 0.06995 0.15077 0.01714 125 7D-1 -0.21594 -0.00145 -0.15156 0.11024 0.02784 126 7D+2 0.10651 0.00196 0.08393 0.11345 -0.00370 127 7D-2 -0.13958 -0.00131 0.07085 -0.07479 0.03883 128 8D 0 -0.46048 -0.00154 0.37092 0.05731 0.18975 129 8D+1 -0.18103 -0.00366 -0.19969 -0.44320 -0.04459 130 8D-1 0.55847 0.00399 0.43507 -0.32140 -0.10736 131 8D+2 -0.27070 -0.00554 -0.24389 -0.32371 0.02714 132 8D-2 0.36722 0.00371 -0.20782 0.21308 -0.13330 133 7 Cu 1S -0.00969 -0.00004 -0.00419 -0.00108 0.01744 134 2S -0.00337 0.00050 -0.00036 0.00913 0.01666 135 3S 0.12096 0.00638 -0.02001 -0.01767 -0.15400 136 4PX 0.01074 0.00816 -0.00592 -0.00088 0.00272 137 4PY -0.01233 0.00245 0.00009 0.00161 0.00627 138 4PZ 0.00954 -0.01812 0.00657 -0.00637 -0.00694 139 5PX -0.04463 -0.13084 0.60241 0.34205 0.11960 140 5PY 0.12434 -0.04381 -0.31496 -0.58437 -0.17547 141 5PZ -0.07105 0.30208 -0.40282 0.52819 -0.04936 142 6PX -0.00261 0.06439 -0.47049 -0.25220 -0.13270 143 6PY 0.05297 0.02459 0.21439 0.41388 0.06916 144 6PZ 0.06878 -0.14900 0.32356 -0.41802 0.01640 145 7D 0 -0.01145 -0.06013 0.09588 -0.03980 -0.01046 146 7D+1 0.05341 -0.01615 -0.03234 -0.12992 -0.04280 147 7D-1 0.02586 -0.13744 0.14442 -0.06243 -0.00925 148 7D+2 0.07320 -0.00693 -0.12743 -0.15230 -0.04718 149 7D-2 -0.02167 0.06849 -0.04408 0.08255 -0.00181 150 8D 0 0.01885 0.16342 -0.27558 0.12679 0.01885 151 8D+1 -0.11811 0.04832 0.09418 0.38170 0.10895 152 8D-1 -0.06418 0.36147 -0.42397 0.18159 0.01194 153 8D+2 -0.17158 0.01574 0.38337 0.46040 0.13857 154 8D-2 0.05503 -0.18150 0.13280 -0.23751 0.01318 155 8 Cu 1S -0.00189 0.00015 -0.02018 0.04477 -0.00114 156 2S -0.00504 0.00062 -0.06302 0.14021 -0.00648 157 3S -0.00175 0.00722 -0.37416 0.83460 -0.16643 158 4PX 0.00562 0.00501 0.02433 -0.00208 0.01116 159 4PY 0.00290 0.00360 0.02697 -0.02418 0.00175 160 4PZ 0.00838 0.00900 0.02453 0.03412 0.01094 161 5PX -0.01852 0.02548 -0.54355 0.23764 -0.45345 162 5PY 0.00189 0.01452 -0.51845 0.48138 -0.17158 163 5PZ -0.00835 0.03393 -0.38943 -0.77905 -0.51295 164 6PX 0.06867 -0.02062 0.30075 0.21986 0.14006 165 6PY 0.04003 -0.01326 0.44223 -0.37571 0.01252 166 6PZ 0.10904 -0.03541 0.48621 0.43138 0.21084 167 7D 0 -0.05722 -0.21223 0.01817 0.03713 -0.08871 168 7D+1 0.00581 0.01570 0.01656 0.15786 0.02935 169 7D-1 0.02379 0.12705 -0.16070 0.01987 0.00983 170 7D+2 0.00178 -0.02345 0.10591 0.01594 0.06866 171 7D-2 0.02491 0.13794 -0.02812 -0.07471 0.04846 172 8D 0 0.14116 0.57360 -0.08409 -0.13749 0.26293 173 8D+1 -0.00925 -0.03347 -0.04258 -0.45038 -0.09038 174 8D-1 -0.06458 -0.35597 0.48003 -0.04798 -0.02536 175 8D+2 0.00110 0.07370 -0.30084 -0.05453 -0.20140 176 8D-2 -0.06275 -0.37662 0.11463 0.20187 -0.14545 177 9 C 1S -0.00011 0.00000 0.00003 -0.00009 0.00000 178 2S 0.00177 0.00005 -0.00019 0.00129 0.00022 179 3S -0.00118 0.00001 -0.02306 0.02752 -0.00393 180 4PX 0.03923 0.00044 -0.00103 0.00351 -0.00849 181 4PY 0.03090 0.00032 -0.00078 0.00352 -0.00595 182 4PZ 0.07323 0.00062 0.00218 -0.00274 -0.01185 183 5PX 0.05050 -0.00056 -0.00996 -0.11823 0.01003 184 5PY 0.03436 -0.00039 -0.02521 -0.05645 0.00479 185 5PZ 0.09164 -0.00038 -0.12485 0.02767 0.01268 186 10 O 1S -0.00001 -0.00001 0.00050 -0.00067 0.00007 187 2S -0.00028 0.00008 -0.00812 0.01101 -0.00101 188 3S 0.00090 -0.00011 0.01257 -0.01815 0.00134 189 4PX 0.01008 0.00008 0.00213 0.01034 -0.00222 190 4PY 0.00782 0.00004 0.00110 0.00682 -0.00180 191 4PZ 0.01890 -0.00005 0.01244 -0.00240 -0.00264 192 5PX -0.05121 -0.00028 -0.00449 -0.00524 0.00584 193 5PY -0.03621 -0.00019 0.00391 -0.01051 0.00494 194 5PZ -0.09356 -0.00011 -0.01056 0.00217 0.00723 181 182 183 184 185 V V V V V EIGENVALUES -- 1.31710 1.32180 1.33010 1.33086 1.35457 1 1 Cu 1S -0.00244 0.00154 0.02728 0.01928 0.02830 2 2S -0.01915 0.00385 0.06944 0.04931 0.07203 3 3S -0.60370 0.01112 -0.17095 -0.09919 -0.21698 4 4PX -0.00356 -0.01446 -0.02736 -0.02206 0.00706 5 4PY -0.02033 -0.00434 0.02074 0.01479 0.00875 6 4PZ 0.00883 0.03274 -0.00976 -0.00617 0.00565 7 5PX 0.31391 0.65668 0.97461 1.00687 0.01789 8 5PY 0.58895 0.20372 -0.75879 -0.49191 -0.30546 9 5PZ -0.40376 -1.47394 0.63924 -0.05408 -0.04795 10 6PX 0.11481 -0.71676 -0.83998 -0.84463 0.16738 11 6PY -0.23577 -0.22954 0.79252 0.55033 0.09808 12 6PZ 0.18770 1.59588 -0.49232 0.00163 0.12468 13 7D 0 -0.05090 -0.12262 -0.05249 -0.10187 0.10705 14 7D+1 -0.05650 -0.04552 0.19324 0.11356 -0.05461 15 7D-1 0.01234 -0.23653 0.03621 -0.00813 -0.05895 16 7D+2 -0.00605 -0.00111 0.14939 0.12665 0.10231 17 7D-2 0.15229 0.11856 0.01046 0.03903 -0.02025 18 8D 0 0.14913 0.37666 0.13461 0.30813 -0.31212 19 8D+1 0.16392 0.15259 -0.57347 -0.31575 0.15874 20 8D-1 -0.02718 0.68707 -0.11452 0.02656 0.16207 21 8D+2 0.00725 -0.00807 -0.43154 -0.38009 -0.29237 22 8D-2 -0.44252 -0.34926 -0.04006 -0.13020 0.04189 23 2 Cu 1S 0.02079 0.00019 0.00358 -0.01123 0.08279 24 2S 0.02180 0.00001 0.00640 -0.01845 0.16376 25 3S -0.18374 -0.00102 -0.00909 0.04491 -0.33281 26 4PX -0.00504 -0.00499 0.00331 -0.00044 0.00436 27 4PY 0.00217 -0.00345 0.00144 0.00329 -0.02511 28 4PZ -0.00049 -0.00839 0.00551 -0.00002 0.00784 29 5PX 0.10095 -0.30366 -0.25444 0.17661 -0.08546 30 5PY -0.16265 -0.20451 -0.05901 -0.71259 0.36213 31 5PZ -0.00535 -0.52305 -0.41002 0.10644 -0.09487 32 6PX -0.00167 0.33896 0.23661 -0.04671 0.05081 33 6PY 0.12274 0.23152 0.08059 0.57425 -0.06177 34 6PZ -0.04257 0.58371 0.41122 -0.12362 -0.00875 35 7D 0 -0.01226 0.07152 0.08889 0.00516 0.02258 36 7D+1 0.02211 -0.07362 -0.09263 0.02874 -0.01227 37 7D-1 0.03108 0.05297 0.04204 0.14308 -0.08921 38 7D+2 0.01088 -0.07295 -0.09635 0.07243 -0.05864 39 7D-2 -0.03854 -0.01686 -0.00464 -0.12832 0.10872 40 8D 0 0.03306 -0.24228 -0.26108 -0.02160 -0.05530 41 8D+1 -0.05703 0.25326 0.27603 -0.09027 0.03578 42 8D-1 -0.08571 -0.18553 -0.12447 -0.44175 0.24309 43 8D+2 -0.02907 0.25141 0.28854 -0.22960 0.16026 44 8D-2 0.11265 0.05571 0.01254 0.38460 -0.28703 45 3 Cu 1S -0.00503 -0.00126 -0.03157 0.01037 0.03025 46 2S -0.03135 -0.00382 -0.08139 0.02645 0.07844 47 3S -0.87538 -0.04148 0.18079 -0.06027 -0.19249 48 4PX 0.00254 0.03250 0.01663 -0.00767 -0.00353 49 4PY -0.02616 0.01650 -0.03495 0.01265 0.00266 50 4PZ 0.01544 -0.00233 -0.01568 0.00723 -0.01232 51 5PX 0.17037 -1.44439 -0.46813 0.64228 0.15785 52 5PY 0.72764 -0.74242 1.37793 -0.29869 -0.24766 53 5PZ -0.60169 0.11648 0.66644 -0.32463 0.17580 54 6PX 0.03448 1.56722 0.49422 -0.51859 -0.04108 55 6PY -0.46390 0.81587 -1.29892 0.34989 -0.01201 56 6PZ -0.03566 -0.15688 -0.47005 0.23090 -0.21237 57 7D 0 0.14619 -0.03001 -0.19697 0.09344 -0.06498 58 7D+1 -0.01619 0.20255 0.03276 -0.07214 -0.06916 59 7D-1 -0.14501 0.11972 -0.19808 0.04161 0.08508 60 7D+2 0.05449 0.15861 0.06279 -0.03574 0.05597 61 7D-2 0.06771 -0.07796 0.06261 -0.03083 0.10308 62 8D 0 -0.42496 0.09154 0.58338 -0.28049 0.17539 63 8D+1 0.06118 -0.61187 -0.08335 0.23453 0.19355 64 8D-1 0.41048 -0.35910 0.57906 -0.10909 -0.23688 65 8D+2 -0.15707 -0.44974 -0.17657 0.09675 -0.16843 66 8D-2 -0.20121 0.21639 -0.16847 0.09036 -0.30502 67 4 Cu 1S -0.00362 -0.00004 0.00031 0.00852 -0.06490 68 2S -0.00766 -0.00007 0.00161 0.01813 -0.12268 69 3S 0.03111 0.00102 0.03227 -0.06676 1.05660 70 4PX 0.01788 0.00002 0.00442 0.01060 -0.00263 71 4PY 0.00790 -0.00005 0.00395 0.00519 0.00512 72 4PZ -0.01709 -0.00073 0.01157 -0.00618 -0.00074 73 5PX -0.54268 -0.00151 0.22289 0.45623 0.10881 74 5PY -0.24088 0.00039 0.15830 0.22026 -0.13898 75 5PZ 0.52759 0.01438 0.52202 -0.25428 -0.01326 76 6PX 0.43211 0.00138 -0.22012 -0.47901 0.06404 77 6PY 0.18307 -0.00056 -0.17444 -0.21638 -0.18533 78 6PZ -0.41603 -0.01120 -0.53308 0.26349 0.04693 79 7D 0 0.00487 0.00065 0.03714 -0.00296 0.00047 80 7D+1 -0.00742 -0.00270 -0.05798 -0.03625 -0.00046 81 7D-1 0.23444 0.00664 0.07294 -0.06623 -0.00793 82 7D+2 0.16844 -0.00052 -0.05763 -0.05966 -0.00460 83 7D-2 -0.15868 -0.00155 -0.00458 0.05174 0.00672 84 8D 0 -0.01550 -0.00216 -0.11480 0.00751 0.00075 85 8D+1 0.01678 0.00719 0.20264 0.11176 0.00153 86 8D-1 -0.65478 -0.01827 -0.26203 0.23072 0.02650 87 8D+2 -0.46717 0.00154 0.20027 0.21902 0.01621 88 8D-2 0.44187 0.00444 0.00915 -0.18590 -0.01888 89 5 Cu 1S -0.01007 -0.00093 -0.00289 0.00250 0.08762 90 2S -0.00893 -0.00250 -0.00023 0.00472 0.16776 91 3S 0.08705 -0.00863 0.02199 0.01526 -0.40543 92 4PX 0.01617 0.00883 0.00152 0.00541 0.01021 93 4PY 0.00447 0.00472 0.00194 0.00331 -0.02208 94 4PZ -0.00018 -0.00105 0.00027 0.00010 -0.00863 95 5PX 0.01945 0.56799 0.12724 -0.49410 -0.20651 96 5PY 0.16461 0.29005 -0.64098 0.02176 0.38997 97 5PZ -0.01976 -0.05273 -0.08870 0.06137 0.12751 98 6PX -0.03060 -0.63376 -0.06963 0.48162 0.07871 99 6PY -0.10549 -0.32827 0.54611 0.01902 -0.11204 100 6PZ -0.02664 0.06495 0.15496 -0.10878 0.01181 101 7D 0 0.03124 -0.01639 -0.05652 0.04048 0.05446 102 7D+1 -0.05721 0.09403 0.02365 -0.12693 -0.06909 103 7D-1 0.00821 0.05553 -0.17383 -0.00582 0.14606 104 7D+2 -0.01097 0.07519 -0.00531 -0.08958 -0.00893 105 7D-2 0.00535 -0.03891 0.02977 0.03440 0.01421 106 8D 0 -0.07997 0.05625 0.17036 -0.12182 -0.15014 107 8D+1 0.12517 -0.31836 -0.07786 0.37826 0.18996 108 8D-1 -0.04274 -0.18996 0.53420 0.00779 -0.40044 109 8D+2 0.02304 -0.26138 0.00738 0.27066 0.03233 110 8D-2 -0.01678 0.13668 -0.09966 -0.09976 -0.02926 111 6 Cu 1S -0.00362 -0.00012 -0.00134 0.00319 -0.03441 112 2S -0.00978 -0.00034 -0.00410 0.00840 -0.14170 113 3S 0.03960 0.00068 0.00714 -0.05332 0.73609 114 4PX 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0.00563 0.08691 134 2S -0.00419 0.00331 0.01259 0.01079 0.16799 135 3S 0.05440 0.00886 -0.02403 0.01215 -0.38413 136 4PX 0.00844 -0.00389 -0.00045 0.00163 0.01905 137 4PY -0.00024 -0.00149 -0.00181 0.00029 -0.01611 138 4PZ -0.01693 0.00832 0.00396 -0.00529 0.00688 139 5PX 0.01757 -0.25918 -0.24021 -0.41082 -0.31784 140 5PY 0.09476 -0.08031 0.45070 0.28124 0.29287 141 5PZ -0.13253 0.58757 -0.36704 0.26299 -0.08446 142 6PX -0.00724 0.29258 0.22467 0.42505 0.05996 143 6PY -0.04321 0.09496 -0.33002 -0.17671 -0.10643 144 6PZ 0.11761 -0.65218 0.37933 -0.25313 -0.01010 145 7D 0 -0.03236 -0.05776 0.02450 -0.06607 0.00530 146 7D+1 -0.00924 -0.02041 0.09862 0.04214 0.07291 147 7D-1 -0.02685 -0.11645 0.06252 -0.11751 -0.02630 148 7D+2 0.03325 -0.00137 0.12834 0.09271 0.14680 149 7D-2 0.02212 0.05861 -0.06149 0.03491 -0.01288 150 8D 0 0.05933 0.19245 -0.06381 0.19983 -0.00506 151 8D+1 0.00601 0.06441 -0.30305 -0.13693 -0.20420 152 8D-1 0.04805 0.39796 -0.18337 0.35163 0.07331 153 8D+2 -0.08415 0.00814 -0.39195 -0.28484 -0.39795 154 8D-2 -0.04426 -0.20013 0.19238 -0.09644 0.03967 155 8 Cu 1S 0.01343 -0.00018 0.00514 -0.04061 0.02208 156 2S 0.06520 0.00018 0.01258 -0.10367 0.05239 157 3S 1.44874 0.02914 -0.04739 0.21624 -0.31703 158 4PX -0.03554 -0.01782 -0.00070 0.00442 -0.00762 159 4PY 0.03084 -0.01194 0.00569 -0.04110 -0.00473 160 4PZ 0.01108 -0.02950 -0.00253 0.01391 0.00674 161 5PX 1.08102 0.78981 0.21843 -0.02698 0.15096 162 5PY -0.63956 0.53562 -0.07475 1.60197 -0.06704 163 5PZ -0.49566 1.31913 0.45420 -0.55199 -0.06382 164 6PX -0.20804 -0.84080 -0.18946 0.17826 -0.14131 165 6PY 0.67251 -0.58186 0.08867 -1.45484 -0.20688 166 6PZ -0.08421 -1.44550 -0.33473 0.42780 0.17834 167 7D 0 -0.06141 0.15446 0.04728 0.03325 0.07817 168 7D+1 0.15976 -0.15471 -0.04599 0.16207 0.10211 169 7D-1 -0.11524 0.11429 -0.02933 0.20355 0.02483 170 7D+2 -0.27263 -0.15850 -0.02535 0.04475 -0.02742 171 7D-2 -0.02964 -0.04016 -0.00043 -0.15947 0.08166 172 8D 0 0.18657 -0.47236 -0.16433 -0.09319 -0.22963 173 8D+1 -0.45632 0.45341 0.14291 -0.47751 -0.28754 174 8D-1 0.32219 -0.32109 0.09117 -0.58734 -0.07758 175 8D+2 0.77617 0.46024 0.07633 -0.11478 0.06464 176 8D-2 0.10582 0.13127 0.01431 0.47675 -0.23969 177 9 C 1S -0.00030 -0.00001 -0.00022 0.00082 -0.01829 178 2S 0.00808 0.00020 0.00091 -0.00630 0.38858 179 3S -0.00296 0.00023 0.00874 -0.01587 -0.57702 180 4PX 0.00579 0.00019 -0.01459 -0.02483 -0.19266 181 4PY 0.01239 0.00036 -0.00609 -0.02965 0.37781 182 4PZ -0.01075 -0.00015 -0.03201 0.02016 -0.04454 183 5PX -0.01340 -0.00161 0.07533 0.20134 -0.02543 184 5PY -0.00207 -0.00051 0.06875 0.07742 0.05376 185 5PZ 0.01094 0.00186 0.19409 -0.10853 -0.00854 186 10 O 1S -0.00056 -0.00002 -0.00027 0.00072 -0.00909 187 2S 0.00632 0.00026 0.00254 -0.00601 0.02658 188 3S -0.00315 -0.00026 -0.00051 0.00006 0.24575 189 4PX 0.00210 -0.00011 0.00666 0.02028 -0.04778 190 4PY 0.00444 0.00001 0.00723 0.00380 0.09536 191 4PZ -0.00329 -0.00029 0.01809 -0.00963 -0.01131 192 5PX -0.00759 0.00038 -0.02440 -0.06397 -0.00553 193 5PY -0.00658 0.00007 -0.02163 -0.02763 0.02142 194 5PZ 0.00789 0.00034 -0.06261 0.03556 -0.00558 186 187 188 189 190 V V V V V EIGENVALUES -- 1.52251 1.64190 1.83993 1.84176 2.01987 1 1 Cu 1S 0.21316 -0.12763 -0.32426 0.99352 0.02596 2 2S 0.58067 -0.24185 -0.68106 2.09056 0.03456 3 3S 0.66341 1.63166 0.49415 -1.39824 -0.22683 4 4PX 0.02452 0.00003 -0.00558 0.01862 0.02204 5 4PY 0.02393 0.00330 -0.00515 0.01756 -0.02750 6 4PZ 0.01484 0.00106 -0.00470 0.01024 0.00603 7 5PX -0.26892 0.20070 0.10738 -0.67977 -0.49472 8 5PY -0.27367 -0.63793 0.19199 -0.79177 0.59261 9 5PZ -0.16395 -0.03532 0.37731 -0.31055 -0.13969 10 6PX -0.03040 -0.31129 -0.24617 0.45328 0.80159 11 6PY -0.26873 -0.04584 -0.15707 0.46212 -0.80806 12 6PZ -0.05259 -0.12194 0.04981 0.31469 0.24604 13 7D 0 -0.01564 -0.00782 -0.03455 -0.03327 0.04351 14 7D+1 0.02618 0.02164 -0.04615 -0.02194 -0.06293 15 7D-1 0.04269 -0.01093 0.03211 -0.00133 0.00769 16 7D+2 -0.01070 0.02861 0.04201 -0.01998 -0.04750 17 7D-2 0.07757 -0.01299 0.01220 -0.04698 0.03537 18 8D 0 0.06052 0.01183 0.12239 0.12975 -0.15812 19 8D+1 -0.09352 -0.06366 0.17299 0.06651 0.22083 20 8D-1 -0.14677 0.04540 -0.11381 -0.00652 -0.02300 21 8D+2 0.04045 -0.10777 -0.15274 0.07116 0.15606 22 8D-2 -0.26016 0.04825 -0.03844 0.15365 -0.12247 23 2 Cu 1S -0.51161 -0.13046 0.55155 -0.11727 0.56821 24 2S -1.10269 -0.28043 1.18112 -0.25119 1.11022 25 3S -1.04949 -0.09301 0.12772 -0.03046 -0.95660 26 4PX -0.02762 -0.00333 0.02978 -0.00104 -0.00350 27 4PY -0.00036 -0.00918 -0.00345 0.00444 0.00637 28 4PZ 0.01620 0.00565 -0.01308 0.01191 -0.00057 29 5PX 0.99409 0.13968 -1.11113 0.07482 -0.43131 30 5PY 0.07727 0.01790 -0.16994 -0.07473 -0.12594 31 5PZ -0.61023 -0.08636 0.62943 -0.41191 0.29947 32 6PX -0.11955 0.07618 0.41957 -0.10888 -0.06146 33 6PY 0.10654 -0.09678 0.10865 -0.03943 0.57302 34 6PZ 0.02652 -0.00636 -0.29660 0.02825 -0.19523 35 7D 0 -0.01360 -0.00156 0.03236 0.07489 -0.01376 36 7D+1 -0.08231 -0.00100 0.07133 -0.07062 0.02605 37 7D-1 0.00253 -0.02381 0.00316 0.02073 -0.00132 38 7D+2 0.07203 -0.02206 -0.08144 -0.03213 -0.03458 39 7D-2 -0.00280 0.01637 -0.00205 -0.03187 -0.02874 40 8D 0 0.04212 0.00729 -0.10683 -0.23348 0.04326 41 8D+1 0.25258 -0.00388 -0.24745 0.21975 -0.09804 42 8D-1 -0.00427 0.06056 -0.02151 -0.05297 0.00821 43 8D+2 -0.21760 0.06387 0.25930 0.09218 0.12829 44 8D-2 0.00658 -0.03483 0.01436 0.10083 0.09176 45 3 Cu 1S 0.20817 -0.12687 -0.70404 -0.77568 0.02498 46 2S 0.56999 -0.24055 -1.48019 -1.63269 0.03322 47 3S 0.68555 1.62778 1.04104 1.09013 -0.21039 48 4PX -0.00543 -0.00202 0.00332 0.00215 0.01643 49 4PY 0.00263 0.00214 -0.00059 -0.00220 -0.03175 50 4PZ -0.03678 -0.00212 0.01899 0.02138 -0.00425 51 5PX 0.06314 0.34072 -0.31674 0.01459 -0.35728 52 5PY -0.02158 -0.54797 0.01075 0.23657 0.69921 53 5PZ 0.41248 0.19946 -0.71035 -0.83323 0.11189 54 6PX 0.11481 -0.06649 -0.04693 0.18024 0.52128 55 6PY -0.18885 0.13320 -0.08387 -0.01481 -1.02639 56 6PZ 0.18974 0.30486 0.52586 0.53939 -0.25954 57 7D 0 0.08324 0.00718 0.03409 0.02573 -0.02671 58 7D+1 0.02897 -0.01656 -0.03515 0.02676 0.02379 59 7D-1 -0.03124 0.03360 -0.00350 0.01881 -0.06660 60 7D+2 0.01097 -0.01316 0.05356 -0.01661 0.04015 61 7D-2 0.01107 -0.00744 -0.00503 0.05480 0.04722 62 8D 0 -0.28406 -0.01234 -0.10568 -0.07390 0.09524 63 8D+1 -0.10045 0.06418 0.13189 -0.09270 -0.07744 64 8D-1 0.10726 -0.12205 0.01130 -0.06997 0.22447 65 8D+2 -0.03170 0.03707 -0.19642 0.06020 -0.14345 66 8D-2 -0.02859 0.01204 0.01654 -0.20140 -0.17136 67 4 Cu 1S -0.73082 0.32561 0.01357 -0.00062 -1.14482 68 2S -1.54739 0.68222 0.02695 -0.00049 -2.23698 69 3S 0.22937 -1.47795 -0.07523 0.02101 3.67446 70 4PX 0.01507 -0.00270 -0.00276 0.00272 -0.00692 71 4PY -0.02764 0.00552 -0.00133 0.00209 0.01273 72 4PZ 0.00254 -0.00070 0.00343 0.00321 -0.00118 73 5PX -0.56769 0.14866 0.15857 -0.14834 -0.33170 74 5PY 1.06995 -0.28689 0.06337 -0.10519 0.62597 75 5PZ -0.10315 0.02847 -0.18221 -0.16538 -0.05923 76 6PX 0.14550 -0.15373 0.01156 -0.02238 0.13966 77 6PY -0.28762 0.31849 0.01511 -0.01543 -0.25302 78 6PZ 0.02674 -0.03924 -0.02329 -0.02862 0.01507 79 7D 0 -0.06681 0.02256 0.00141 -0.00462 -0.03102 80 7D+1 0.00856 -0.00406 0.01235 0.04298 0.00411 81 7D-1 -0.01821 0.00611 -0.06887 -0.04675 -0.00872 82 7D+2 -0.06573 0.02343 -0.04356 0.06162 -0.03087 83 7D-2 -0.09753 0.03336 0.04262 -0.02410 -0.04497 84 8D 0 0.20373 -0.06861 -0.00803 0.00869 0.11818 85 8D+1 -0.02585 0.01235 -0.04407 -0.13048 -0.01568 86 8D-1 0.05593 -0.01834 0.21207 0.14736 0.03271 87 8D+2 0.20136 -0.07138 0.13794 -0.19109 0.11750 88 8D-2 0.29709 -0.10160 -0.13205 0.07826 0.17169 89 5 Cu 1S -0.50196 -0.08425 -0.39431 -0.42503 0.56158 90 2S -1.08248 -0.18003 -0.84190 -0.90833 1.09576 91 3S -1.07208 -0.16724 -0.07948 -0.06907 -0.96799 92 4PX -0.00678 0.00293 -0.01298 -0.00022 -0.00363 93 4PY 0.00713 -0.00574 0.00356 0.01169 0.00653 94 4PZ -0.03050 -0.00675 -0.01993 -0.02297 -0.00101 95 5PX 0.19981 0.00836 0.35950 -0.04260 -0.05430 96 5PY -0.17968 -0.01128 0.01388 -0.22649 0.00827 97 5PZ 1.12803 0.09201 0.85700 0.97376 -0.52136 98 6PX -0.06555 0.06845 0.00052 -0.06279 -0.24787 99 6PY 0.13589 -0.09760 0.01162 -0.00611 0.51644 100 6PZ -0.08508 0.03670 -0.36072 -0.39206 0.19909 101 7D 0 0.09335 -0.00423 0.05207 0.08160 -0.04465 102 7D+1 0.03853 -0.01775 0.09651 -0.03244 -0.00576 103 7D-1 -0.04318 0.03093 0.01060 -0.06920 0.00317 104 7D+2 -0.00010 -0.00723 0.02515 -0.02440 -0.01641 105 7D-2 -0.00731 -0.00403 -0.01642 0.00041 -0.02305 106 8D 0 -0.28607 0.02764 -0.18045 -0.27444 0.16059 107 8D+1 -0.11525 0.04832 -0.30248 0.09862 0.02747 108 8D-1 0.12733 -0.08006 -0.03494 0.21158 -0.02220 109 8D+2 0.00253 0.02205 -0.06630 0.07351 0.05558 110 8D-2 0.02447 0.01516 0.05148 0.00937 0.07586 111 6 Cu 1S 0.05083 0.27341 0.00865 -0.00153 -0.15428 112 2S 0.20949 0.58137 0.01926 -0.00414 -0.29623 113 3S 2.12144 -2.23345 -0.00962 -0.01708 -0.37394 114 4PX 0.02183 -0.01904 0.01893 -0.01848 -0.02496 115 4PY -0.03951 0.03453 0.00820 -0.01153 0.04764 116 4PZ 0.00379 -0.00285 -0.02164 -0.01961 -0.00520 117 5PX -0.21035 0.94647 -0.63247 0.63807 0.03920 118 5PY 0.34501 -1.76192 -0.33207 0.40128 -0.08842 119 5PZ -0.03066 0.16323 0.75670 0.67820 0.01956 120 6PX -0.15652 0.24132 -0.06782 0.06320 0.40138 121 6PY 0.27474 -0.53249 -0.02198 0.03684 -0.81246 122 6PZ -0.00468 0.07876 0.07665 0.06890 0.10067 123 7D 0 -0.04669 0.02007 -0.02840 -0.04856 0.04175 124 7D+1 0.00777 -0.00188 -0.04359 0.04304 -0.00712 125 7D-1 -0.01274 0.01305 -0.04627 0.00107 0.01169 126 7D+2 -0.04869 0.02392 0.00117 0.02893 0.04291 127 7D-2 -0.07014 0.02254 0.02388 0.01846 0.06187 128 8D 0 0.15070 -0.09642 0.10719 0.18366 -0.14586 129 8D+1 -0.02448 0.01087 0.16902 -0.15465 0.02489 130 8D-1 0.03996 -0.05259 0.16089 -0.01401 -0.04040 131 8D+2 0.15600 -0.10934 -0.01552 -0.09652 -0.15007 132 8D-2 0.22638 -0.11768 -0.08316 -0.07551 -0.21669 133 7 Cu 1S -0.50058 -0.08704 -0.18513 0.55239 0.56013 134 2S -1.07913 -0.18698 -0.39480 1.17972 1.09363 135 3S -1.07042 -0.17318 -0.04665 0.09552 -0.95427 136 4PX 0.01752 0.00895 0.00076 -0.01561 -0.00343 137 4PY 0.02404 -0.00164 0.00720 -0.02705 0.00670 138 4PZ 0.01134 0.00319 0.01281 -0.00725 -0.00049 139 5PX -0.70780 -0.07250 -0.14261 0.84133 0.37746 140 5PY -0.80298 -0.06595 -0.23082 0.86240 0.30549 141 5PZ -0.42799 -0.03363 -0.44686 0.38643 0.20952 142 6PX -0.00719 0.04265 0.14298 -0.36247 -0.45975 143 6PY 0.16224 -0.11877 0.09138 -0.29302 0.37548 144 6PZ 0.00626 -0.01259 0.02541 -0.21066 -0.15383 145 7D 0 -0.03332 -0.00227 0.04890 0.05419 -0.00724 146 7D+1 0.03612 0.01236 0.04952 -0.02370 -0.00965 147 7D-1 0.05009 -0.01240 0.08680 -0.02738 -0.01754 148 7D+2 -0.02572 0.02795 -0.02025 0.02441 -0.01430 149 7D-2 0.07888 -0.01747 -0.01758 -0.09018 -0.04698 150 8D 0 0.10391 0.00591 -0.14942 -0.18285 0.01962 151 8D+1 -0.11394 -0.02632 -0.16534 0.09159 0.03437 152 8D-1 -0.15149 0.03863 -0.26317 0.09756 0.06678 153 8D+2 0.07421 -0.06827 0.06479 -0.06909 0.03865 154 8D-2 -0.23856 0.05951 0.04732 0.29242 0.16919 155 8 Cu 1S 0.20859 -0.13692 1.01858 -0.21990 0.04261 156 2S 0.56869 -0.26200 2.14389 -0.46289 0.06917 157 3S 0.62008 1.57434 -1.41634 0.30365 -0.27111 158 4PX -0.03015 -0.00211 -0.02362 0.00448 0.01117 159 4PY -0.00652 0.00150 -0.00452 0.00044 -0.03340 160 4PZ 0.02015 0.00051 0.01508 -0.00451 0.00740 161 5PX 0.32863 0.40289 0.98866 -0.07514 -0.22296 162 5PY 0.09642 -0.49626 0.07302 0.07402 0.73863 163 5PZ -0.22213 -0.03364 -0.52220 0.35081 -0.17553 164 6PX 0.22700 0.16161 -0.59650 0.21454 0.24281 165 6PY -0.17365 0.21563 -0.09466 0.08269 -1.07250 166 6PZ -0.06565 -0.18365 0.42389 0.05615 0.30672 167 7D 0 0.00039 -0.00126 -0.03558 -0.04319 0.02618 168 7D+1 -0.06321 -0.00112 0.01339 -0.01147 0.03332 169 7D-1 0.00953 -0.02680 0.00967 0.04506 0.06956 170 7D+2 0.06837 -0.02471 -0.03431 -0.01198 0.04982 171 7D-2 0.01099 0.01879 -0.03760 0.04655 -0.01949 172 8D 0 0.00446 -0.00572 0.13164 0.15679 -0.09680 173 8D+1 0.21995 -0.01229 -0.02761 0.03752 -0.12147 174 8D-1 -0.02810 0.08726 -0.03006 -0.16572 -0.24086 175 8D+2 -0.22964 0.08969 0.11130 0.04714 -0.17030 176 8D-2 -0.03214 -0.07312 0.13073 -0.16846 0.05922 177 9 C 1S -0.01248 -0.02109 -0.00006 0.00008 -0.00074 178 2S 0.29355 0.10319 0.01605 -0.00168 -0.18990 179 3S -0.73234 -3.26232 -0.10726 0.00891 -0.67715 180 4PX -0.10615 -0.13873 -0.02539 0.02219 0.02195 181 4PY 0.20840 0.28928 -0.00325 0.01184 -0.03722 182 4PZ -0.02479 -0.03881 0.02452 0.02279 0.00291 183 5PX 0.02484 -0.18475 0.23401 -0.22357 -0.36559 184 5PY -0.02260 0.40301 0.08680 -0.14670 0.72475 185 5PZ -0.00375 -0.05003 -0.26315 -0.24358 -0.08531 186 10 O 1S 0.00962 0.08093 0.00127 -0.00020 0.02121 187 2S -0.23335 -1.86405 -0.03331 0.00568 -0.65663 188 3S 0.51315 3.53820 0.07072 -0.01250 1.39972 189 4PX -0.01469 0.02607 0.02730 -0.02650 0.01023 190 4PY 0.03167 -0.05102 0.00875 -0.01723 -0.02300 191 4PZ -0.00437 0.00679 -0.03058 -0.02943 0.00366 192 5PX -0.06997 -0.53526 -0.11490 0.10425 -0.15679 193 5PY 0.13343 1.07035 -0.01705 0.06306 0.32360 194 5PZ -0.01452 -0.13346 0.11648 0.11373 -0.04283 191 192 193 194 V V V V EIGENVALUES -- 2.30405 2.31087 3.67490 11.94035 1 1 Cu 1S -0.56932 -0.40985 -1.03619 -1.29289 2 2S -1.08503 -0.78369 -1.73974 -2.05232 3 3S 1.65275 1.11334 6.16165 2.75330 4 4PX 0.01100 -0.01624 0.05423 0.02438 5 4PY 0.01726 0.00396 0.02320 0.07114 6 4PZ -0.02360 0.03655 0.02723 0.02195 7 5PX 0.10789 0.50356 -0.34220 -0.08476 8 5PY 0.03486 0.20425 -0.91308 0.82903 9 5PZ 0.60231 -0.51506 -0.28622 0.07892 10 6PX -0.49143 -1.35387 -0.51393 -0.21935 11 6PY 0.11880 -0.27637 -1.11903 -0.79063 12 6PZ -1.54524 1.21918 -0.39153 -0.26648 13 7D 0 0.00119 -0.03166 0.00638 -0.01189 14 7D+1 0.02537 0.02167 -0.00941 0.00676 15 7D-1 0.06379 -0.06622 0.00182 0.00612 16 7D+2 0.02433 0.00034 -0.00740 -0.01076 17 7D-2 -0.00800 0.04643 0.00553 0.00237 18 8D 0 -0.00569 0.11080 -0.04202 0.09669 19 8D+1 -0.09107 -0.07986 0.03442 -0.04478 20 8D-1 -0.23016 0.23441 -0.00090 -0.05961 21 8D+2 -0.09105 -0.00210 -0.00395 0.11051 22 8D-2 0.02042 -0.17116 -0.02923 -0.03204 23 2 Cu 1S 0.12001 -1.23558 -0.10945 -0.41024 24 2S 0.22541 -2.32211 -0.17654 -0.63831 25 3S -0.34597 3.48407 -2.30853 -4.29408 26 4PX 0.00213 0.03083 -0.00710 0.00823 27 4PY 0.00270 0.00896 0.00778 -0.00347 28 4PZ 0.01086 -0.02030 0.00092 -0.00332 29 5PX -0.08017 0.34713 0.32394 0.82351 30 5PY -0.02814 -0.01585 -0.35809 0.37599 31 5PZ -0.06164 -0.20702 -0.04228 -0.63087 32 6PX 0.19973 -0.17870 0.61237 0.54861 33 6PY 0.05854 0.68482 -0.24831 0.72343 34 6PZ 0.32432 -0.13139 -0.24891 -0.62124 35 7D 0 -0.00267 -0.00579 -0.00298 0.00462 36 7D+1 0.02908 -0.01192 0.00040 -0.00721 37 7D-1 -0.03603 -0.01492 -0.02285 0.00583 38 7D+2 0.03124 0.00302 -0.02363 0.01503 39 7D-2 -0.00980 0.00254 0.01257 0.00522 40 8D 0 0.01298 0.02648 0.01658 -0.02642 41 8D+1 -0.10597 0.06560 -0.00999 0.06474 42 8D-1 0.12603 0.05181 0.08546 -0.02291 43 8D+2 -0.10869 -0.03076 0.09962 -0.09865 44 8D-2 0.03184 -0.00561 -0.03580 -0.04412 45 3 Cu 1S 0.64009 -0.29161 -1.02985 -1.29653 46 2S 1.22056 -0.55762 -1.72864 -2.05816 47 3S -1.84238 0.78984 6.14562 2.76561 48 4PX -0.01092 -0.04130 0.00146 -0.02593 49 4PY -0.02014 -0.01559 -0.01409 0.03583 50 4PZ 0.01025 0.00023 -0.06328 -0.06490 51 5PX 0.29095 0.67992 0.32182 -0.37344 52 5PY 0.27593 0.33128 -0.44904 0.63608 53 5PZ 0.35992 -0.26076 0.85439 -0.41070 54 6PX -0.55723 -1.73678 0.36449 0.34052 55 6PY -0.98177 -0.63614 -0.48651 -0.42886 56 6PZ -0.96432 0.62558 1.12727 0.68734 57 7D 0 -0.03689 0.02703 -0.00358 0.00762 58 7D+1 -0.02170 -0.04743 0.00397 0.00700 59 7D-1 -0.03113 -0.02681 -0.01034 -0.00804 60 7D+2 -0.02291 -0.06750 0.00632 -0.00678 61 7D-2 0.02442 0.03387 0.00691 -0.01130 62 8D 0 0.13993 -0.10002 0.00640 -0.06433 63 8D+1 0.07725 0.16697 -0.00076 -0.07114 64 8D-1 0.11135 0.09526 0.01536 0.09167 65 8D+2 0.08557 0.24061 -0.03600 0.04979 66 8D-2 -0.08229 -0.12352 -0.04835 0.09024 67 4 Cu 1S 0.00118 -0.00665 -0.60503 -0.15524 68 2S 0.00180 -0.01219 -1.03132 -0.22329 69 3S -0.01735 0.06133 -3.09599 -2.05661 70 4PX 0.00421 0.00781 -0.01010 0.00176 71 4PY 0.00288 0.00426 0.01871 -0.00307 72 4PZ 0.00894 -0.00507 -0.00175 0.00021 73 5PX -0.05085 -0.09401 -0.32590 -0.16588 74 5PY -0.03172 -0.05199 0.60969 0.29587 75 5PZ -0.10411 0.06046 -0.06198 -0.02288 76 6PX 0.22090 0.44372 -0.57141 -0.38588 77 6PY 0.16370 0.21308 1.03064 0.75007 78 6PZ 0.47393 -0.27558 -0.08395 -0.09020 79 7D 0 0.02479 -0.00529 0.00398 0.00930 80 7D+1 -0.01838 -0.02425 -0.00035 -0.00141 81 7D-1 0.01511 -0.02594 0.00148 0.00238 82 7D+2 -0.01862 -0.01049 0.00402 0.00907 83 7D-2 -0.00960 0.01340 0.00547 0.01374 84 8D 0 -0.08720 0.01852 -0.00025 -0.04697 85 8D+1 0.06576 0.08528 -0.00081 0.00707 86 8D-1 -0.05485 0.09246 -0.00172 -0.01216 87 8D+2 0.06663 0.03826 -0.00090 -0.04583 88 8D-2 0.03350 -0.04834 0.00103 -0.06920 89 5 Cu 1S -1.13378 0.52187 -0.13489 -0.37602 90 2S -2.12968 0.98156 -0.21699 -0.58632 91 3S 3.21694 -1.41321 -2.23911 -4.30638 92 4PX 0.00742 0.00688 -0.00501 0.00405 93 4PY 0.00212 0.00478 0.00931 -0.00702 94 4PZ 0.03439 -0.01617 -0.00232 0.00525 95 5PX 0.04941 -0.11564 0.23363 0.03659 96 5PY -0.12371 0.00171 -0.39822 0.12236 97 5PZ 0.33231 -0.16079 0.18531 1.05637 98 6PX -0.14383 0.41655 0.25357 -0.18370 99 6PY 0.64349 -0.09970 -0.40111 0.58035 100 6PZ 0.10381 -0.09187 0.56542 0.95573 101 7D 0 0.01102 -0.00735 -0.00071 0.01240 102 7D+1 0.00559 0.01076 -0.01394 0.00461 103 7D-1 0.00899 0.00863 0.02856 -0.00701 104 7D+2 0.01384 0.04412 -0.00898 0.00649 105 7D-2 -0.01894 -0.02332 -0.00818 0.00768 106 8D 0 -0.06104 0.03666 0.01747 -0.10098 107 8D+1 -0.03258 -0.03672 0.05296 -0.02917 108 8D-1 -0.01940 -0.03851 -0.10638 0.03650 109 8D+2 -0.04673 -0.15607 0.03956 -0.03845 110 8D-2 0.07107 0.07905 0.03903 -0.04607 111 6 Cu 1S -0.00606 0.01317 1.14788 -3.45364 112 2S -0.01166 0.02331 1.94110 -5.53077 113 3S 0.01585 -0.06591 -5.52157 11.93429 114 4PX -0.02097 -0.04075 0.01428 0.04210 115 4PY -0.01491 -0.02165 -0.02784 -0.07734 116 4PZ -0.04465 0.02608 0.00318 0.00715 117 5PX 0.38600 0.72296 1.79298 -3.42538 118 5PY 0.25527 0.46205 -3.40233 6.55216 119 5PZ 0.80174 -0.48629 0.35993 -0.72445 120 6PX 0.00801 0.05675 -0.21504 0.08600 121 6PY 0.01285 0.00408 0.58068 -0.46508 122 6PZ 0.03012 -0.03146 -0.13917 0.18648 123 7D 0 -0.04364 0.00937 0.00645 -0.04150 124 7D+1 0.02729 0.04307 -0.00143 0.00717 125 7D-1 -0.01815 0.04034 0.00281 -0.01311 126 7D+2 0.02753 0.01278 0.00698 -0.04261 127 7D-2 0.01796 -0.01876 0.00890 -0.06031 128 8D 0 0.15648 -0.03208 -0.07807 0.31635 129 8D+1 -0.09637 -0.15562 0.01488 -0.05365 130 8D-1 0.06255 -0.14307 -0.02875 0.09943 131 8D+2 -0.09772 -0.04221 -0.08196 0.32365 132 8D-2 -0.06556 0.06857 -0.11059 0.45925 133 7 Cu 1S 1.01160 0.73066 -0.12763 -0.38465 134 2S 1.90021 1.37410 -0.20582 -0.59946 135 3S -2.87888 -1.99424 -2.26903 -4.30462 136 4PX 0.01983 0.01887 -0.00339 -0.00017 137 4PY 0.01697 0.01385 0.01031 -0.00962 138 4PZ 0.01835 0.00092 -0.00018 -0.00126 139 5PX 0.18177 0.10216 0.10783 -0.84011 140 5PY 0.26214 0.17653 -0.48568 -0.49602 141 5PZ 0.05216 0.15968 -0.02727 -0.44429 142 6PX 0.28899 0.39593 -0.17097 -1.01379 143 6PY -0.45241 -0.24863 -0.69688 -0.02285 144 6PZ 0.31657 -0.18600 -0.15871 -0.49183 145 7D 0 0.00787 0.00616 -0.00559 0.00304 146 7D+1 -0.00152 -0.02041 0.01502 -0.00084 147 7D-1 -0.03178 0.03753 -0.00884 0.00710 148 7D+2 -0.01186 0.00883 0.02359 -0.00133 149 7D-2 0.00850 -0.01711 -0.01683 0.01646 150 8D 0 -0.03536 -0.03139 0.02406 -0.01107 151 8D+1 0.01526 0.07565 -0.05316 -0.01106 152 8D-1 0.12429 -0.12501 0.03852 -0.05151 153 8D+2 0.03194 -0.03653 -0.08180 -0.00191 154 8D-2 -0.01371 0.07304 0.07851 -0.11558 155 8 Cu 1S -0.06570 0.69408 -1.05137 -1.27432 156 2S -0.12450 1.32240 -1.76397 -2.02445 157 3S 0.20921 -2.02438 6.26475 2.67501 158 4PX -0.02396 0.01076 -0.04563 -0.06733 159 4PY -0.01485 -0.01119 -0.02822 0.02161 160 4PZ -0.03848 -0.00732 0.03785 0.03044 161 5PX 0.37499 0.31594 0.90316 -0.61646 162 5PY 0.25201 0.25759 -0.25742 0.52578 163 5PZ 0.70243 -0.18693 -0.42000 0.14326 164 6PX -0.90983 -0.71256 1.17342 0.70767 165 6PY -0.58558 -0.95482 -0.29841 -0.19512 166 6PZ -1.74057 0.55738 -0.56248 -0.34136 167 7D 0 0.03543 0.00848 0.00383 -0.00868 168 7D+1 -0.05937 0.03062 0.00474 -0.01227 169 7D-1 0.05157 0.03025 0.01002 -0.00110 170 7D+2 -0.05754 -0.01360 0.00708 0.00558 171 7D-2 0.00114 -0.02081 -0.00274 -0.01017 172 8D 0 -0.12494 -0.02597 -0.03143 0.07200 173 8D+1 0.21174 -0.11360 -0.02451 0.10169 174 8D-1 -0.18474 -0.10798 -0.03063 -0.00668 175 8D+2 0.20451 0.05529 -0.02385 -0.06089 176 8D-2 -0.00610 0.08216 -0.02110 0.09632 177 9 C 1S 0.00012 -0.00047 0.01832 -0.04740 178 2S 0.00610 -0.02907 0.51235 -0.87798 179 3S -0.03733 0.17402 -1.50965 4.08313 180 4PX 0.02691 0.06167 0.01485 -0.07748 181 4PY 0.02229 0.01727 -0.03008 0.14552 182 4PZ 0.05959 -0.03414 0.00369 -0.01522 183 5PX -0.25569 -0.51704 1.25325 -2.03368 184 5PY -0.19235 -0.24519 -2.43496 3.94014 185 5PZ -0.55327 0.32101 0.28199 -0.45710 186 10 O 1S 0.00028 -0.00147 -0.00271 -0.01167 187 2S -0.00985 0.05255 0.63863 -0.50631 188 3S 0.02314 -0.12450 -1.82171 1.84652 189 4PX -0.04039 -0.08166 0.05352 -0.09568 190 4PY -0.03033 -0.03771 -0.09426 0.17845 191 4PZ -0.08752 0.05051 0.00803 -0.01896 192 5PX 0.14327 0.31107 -0.05965 0.26560 193 5PY 0.11580 0.10506 0.06285 -0.45646 194 5PZ 0.31598 -0.17871 0.00660 0.03993 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 2.00808 2 2S 0.01173 0.30095 3 3S 0.03924 0.05491 0.67392 4 4PX 0.00360 0.01790 -0.06363 1.99698 5 4PY 0.00425 0.02306 -0.11643 -0.00276 1.99608 6 4PZ 0.00223 0.01136 -0.04606 -0.00098 -0.00157 7 5PX -0.00446 -0.02910 -0.10188 0.02955 0.01683 8 5PY -0.00663 -0.03125 -0.09362 0.01447 0.04666 9 5PZ -0.00301 -0.01755 -0.05950 0.00688 0.01166 10 6PX -0.00549 0.02964 -0.04589 -0.03623 0.02999 11 6PY -0.00686 0.03145 -0.05400 0.02654 -0.01948 12 6PZ -0.00348 0.01801 -0.02752 0.01279 0.01890 13 7D 0 -0.00006 -0.00570 -0.04155 0.00209 -0.00117 14 7D+1 -0.00034 0.01018 0.08023 -0.00263 0.00380 15 7D-1 -0.00017 0.01116 0.11137 0.00316 -0.00024 16 7D+2 -0.00053 0.00013 -0.01029 -0.00420 0.00467 17 7D-2 -0.00056 0.01972 0.20126 0.00121 -0.00206 18 8D 0 -0.00040 -0.00248 -0.01579 0.00072 0.00119 19 8D+1 0.00008 0.00486 0.02800 -0.00081 0.00067 20 8D-1 0.00015 0.00532 0.03829 0.00041 -0.00122 21 8D+2 -0.00055 0.00041 -0.00495 -0.00155 0.00342 22 8D-2 -0.00011 0.00964 0.06777 -0.00034 -0.00135 23 2 Cu 1S -0.00226 -0.00663 -0.00556 -0.00143 0.00213 24 2S -0.00573 0.14454 -0.09638 -0.02739 0.02276 25 3S -0.00998 0.08087 -0.17907 -0.01025 0.02157 26 4PX 0.00126 0.01440 0.02294 0.00028 0.00069 27 4PY 0.00026 -0.00488 -0.02474 -0.00237 0.00131 28 4PZ -0.00097 -0.01635 -0.06107 -0.00133 -0.00111 29 5PX 0.00189 -0.01968 0.03195 -0.00354 -0.00135 30 5PY -0.00184 0.01688 -0.02100 0.00398 0.00127 31 5PZ -0.00212 0.03253 -0.02595 0.00085 0.00990 32 6PX 0.00282 -0.00075 0.03173 0.00945 -0.00820 33 6PY 0.00089 -0.01344 0.00211 0.01243 0.00410 34 6PZ -0.00153 -0.00071 -0.04112 0.01311 -0.00708 35 7D 0 0.00266 0.02383 0.10811 -0.01575 0.01022 36 7D+1 -0.00133 -0.03189 -0.22222 0.00690 -0.01373 37 7D-1 0.00344 0.06071 0.20752 -0.01910 -0.00152 38 7D+2 -0.00213 -0.01468 0.02105 0.00779 0.00767 39 7D-2 -0.00104 -0.01890 -0.13777 0.00561 -0.00241 40 8D 0 0.00122 0.00784 0.03641 -0.00450 0.00345 41 8D+1 -0.00092 -0.01287 -0.07588 -0.00077 -0.00349 42 8D-1 0.00143 0.01992 0.06909 -0.00469 -0.00181 43 8D+2 -0.00070 -0.00332 0.00703 0.00309 0.00289 44 8D-2 -0.00052 -0.00653 -0.04565 -0.00020 0.00008 45 3 Cu 1S -0.00389 -0.01003 0.00198 0.00189 0.00127 46 2S -0.01002 0.07384 -0.09241 0.01321 0.00397 47 3S 0.00201 -0.09269 0.01851 0.02123 0.02078 48 4PX -0.00199 -0.02172 0.00368 0.00453 -0.00242 49 4PY -0.00145 -0.02055 0.00833 -0.00207 0.00413 50 4PZ -0.00327 -0.02419 -0.02834 -0.00161 -0.00062 51 5PX -0.00163 0.03423 -0.01078 -0.00913 0.00991 52 5PY -0.00148 0.04393 -0.00831 0.00836 -0.00683 53 5PZ -0.00324 0.02128 -0.01480 0.01073 0.00765 54 6PX -0.00096 -0.01314 -0.03750 0.01960 -0.01241 55 6PY -0.00135 0.00893 -0.03744 -0.01493 0.00694 56 6PZ 0.00095 -0.02273 -0.00532 -0.00529 0.00639 57 7D 0 -0.00247 0.01252 0.14173 0.01559 0.01103 58 7D+1 0.00034 0.03822 0.24932 0.00754 0.00820 59 7D-1 0.00033 0.02452 0.20476 0.00913 0.00085 60 7D+2 -0.00158 -0.01699 0.03754 -0.00236 0.00682 61 7D-2 0.00316 0.05171 0.12134 -0.00078 -0.00558 62 8D 0 -0.00090 0.00435 0.04764 0.00463 0.00331 63 8D+1 0.00023 0.01231 0.08559 0.00031 0.00237 64 8D-1 0.00023 0.00735 0.06835 0.00241 -0.00082 65 8D+2 -0.00050 -0.00619 0.01127 -0.00198 0.00263 66 8D-2 0.00099 0.01736 0.04008 -0.00075 -0.00206 67 4 Cu 1S -0.00213 -0.00616 -0.00416 0.00390 -0.00112 68 2S -0.00478 0.13137 -0.01292 0.04337 -0.02910 69 3S -0.01059 0.06265 -0.19244 0.02537 -0.00357 70 4PX -0.00050 -0.01557 -0.06506 0.00141 -0.00218 71 4PY 0.00083 0.01271 0.01187 0.00169 -0.00015 72 4PZ -0.00011 -0.00518 -0.02770 0.00008 -0.00126 73 5PX -0.00288 0.02895 -0.03807 0.00524 0.00410 74 5PY 0.00196 -0.01187 0.03448 -0.00342 -0.00280 75 5PZ -0.00101 0.01133 -0.01204 0.00593 0.00276 76 6PX -0.00103 0.00171 -0.03509 -0.00879 0.01535 77 6PY 0.00333 -0.00931 0.05783 -0.00675 0.00841 78 6PZ 0.00003 -0.00046 -0.00829 -0.01121 0.00611 79 7D 0 -0.00074 -0.02651 -0.11494 -0.00713 0.00573 80 7D+1 0.00343 0.04800 0.14792 0.01487 -0.01415 81 7D-1 -0.00038 -0.00885 -0.08591 -0.01121 0.00136 82 7D+2 0.00490 0.04836 0.14714 0.00707 -0.02137 83 7D-2 -0.00015 -0.02535 -0.22521 -0.02371 0.00275 84 8D 0 -0.00040 -0.00934 -0.03952 -0.00052 0.00092 85 8D+1 0.00141 0.01587 0.04962 0.00331 -0.00367 86 8D-1 -0.00022 -0.00340 -0.02919 -0.00321 -0.00076 87 8D+2 0.00192 0.01555 0.04825 0.00007 -0.00645 88 8D-2 -0.00028 -0.00989 -0.07726 -0.00570 -0.00204 89 5 Cu 1S -0.00226 -0.00662 -0.00541 0.00129 0.00301 90 2S -0.00573 0.14506 -0.09521 0.00491 0.03328 91 3S -0.01008 0.08159 -0.18166 0.00615 0.02776 92 4PX 0.00012 -0.00182 -0.02686 0.00127 0.00009 93 4PY -0.00013 -0.01021 -0.04114 -0.00094 0.00148 94 4PZ 0.00160 0.01975 0.04995 0.00022 0.00143 95 5PX -0.00010 0.00903 0.00444 -0.00540 0.00521 96 5PY -0.00245 0.02597 -0.02979 0.00730 0.00457 97 5PZ 0.00230 -0.03099 0.03539 -0.00217 -0.00711 98 6PX 0.00065 0.00018 -0.00912 0.01035 -0.01256 99 6PY 0.00023 -0.01324 -0.01188 -0.00325 -0.00267 100 6PZ 0.00326 -0.00313 0.04988 -0.00305 -0.00214 101 7D 0 -0.00076 0.00062 0.10394 0.00625 0.01618 102 7D+1 -0.00265 -0.01731 -0.06326 0.00960 -0.00768 103 7D-1 -0.00295 -0.05599 -0.29710 -0.00643 -0.01716 104 7D+2 -0.00213 -0.03604 -0.12520 -0.00479 -0.00154 105 7D-2 0.00233 0.03336 0.06458 -0.00989 0.00076 106 8D 0 0.00004 0.00263 0.03627 0.00188 0.00465 107 8D+1 -0.00114 -0.00523 -0.02160 0.00409 -0.00210 108 8D-1 -0.00148 -0.01966 -0.09939 -0.00212 -0.00309 109 8D+2 -0.00091 -0.01208 -0.04249 -0.00202 0.00108 110 8D-2 0.00092 0.01057 0.02160 -0.00456 -0.00031 111 6 Cu 1S -0.00320 -0.00551 -0.00724 -0.00112 0.00231 112 2S -0.00811 0.05852 -0.09702 -0.00991 0.03014 113 3S -0.00467 -0.04642 -0.15234 0.01897 0.02480 114 4PX -0.00046 -0.01207 -0.00811 0.00220 0.00216 115 4PY -0.00188 -0.03708 -0.00116 0.00131 -0.00420 116 4PZ -0.00048 -0.01078 -0.00434 -0.00156 -0.00049 117 5PX 0.00061 0.04655 0.04844 -0.00921 -0.00512 118 5PY -0.00894 0.04428 -0.16053 0.00133 0.03921 119 5PZ -0.00100 0.02756 0.00028 0.00483 0.00607 120 6PX -0.00024 -0.01930 0.02796 0.00724 0.00378 121 6PY -0.00103 -0.00855 -0.02461 0.00158 0.00465 122 6PZ -0.00018 -0.01098 0.00973 -0.00966 -0.00230 123 7D 0 -0.00046 -0.03823 -0.06573 0.00353 -0.01391 124 7D+1 0.00169 0.02166 0.01673 -0.00390 0.00100 125 7D-1 0.00121 0.01978 0.06662 -0.00004 0.00612 126 7D+2 0.00127 -0.03336 -0.12067 0.00044 -0.02207 127 7D-2 0.00252 0.00868 0.06601 -0.00613 -0.00475 128 8D 0 0.00015 -0.01292 -0.02280 0.00120 -0.00338 129 8D+1 0.00058 0.00768 0.00560 -0.00147 0.00090 130 8D-1 0.00033 0.00515 0.02280 0.00033 0.00171 131 8D+2 0.00094 -0.00974 -0.04176 -0.00047 -0.00450 132 8D-2 0.00101 0.00014 0.02227 -0.00288 -0.00117 133 7 Cu 1S 0.00082 -0.00184 0.00361 -0.00099 -0.00075 134 2S -0.00235 -0.12228 -0.06709 0.00461 0.01019 135 3S -0.00598 0.00711 -0.02299 -0.01317 -0.00756 136 4PX 0.00211 0.00298 0.01466 0.00099 -0.00167 137 4PY 0.00325 0.00217 0.01472 -0.00164 -0.00021 138 4PZ 0.00142 0.00164 0.00894 -0.00107 -0.00119 139 5PX -0.00134 0.00335 -0.03203 -0.00582 0.00209 140 5PY -0.00128 0.00930 -0.03890 0.00005 -0.00486 141 5PZ -0.00079 0.00286 -0.02004 0.00076 0.00132 142 6PX 0.00036 0.02562 0.03834 -0.00533 0.00061 143 6PY -0.00049 0.02873 0.01491 0.00076 -0.00582 144 6PZ 0.00005 0.01605 0.01951 0.00017 0.00035 145 7D 0 0.00164 0.00106 0.08923 -0.00218 -0.00222 146 7D+1 -0.00200 -0.00023 -0.10714 0.00191 -0.00097 147 7D-1 -0.00254 -0.01046 -0.10466 -0.00107 0.00042 148 7D+2 0.00091 0.00900 0.03190 0.00362 -0.00418 149 7D-2 -0.00397 -0.01906 -0.15298 0.00438 0.00070 150 8D 0 0.00056 0.00205 0.03239 -0.00061 -0.00077 151 8D+1 -0.00074 -0.00167 -0.03854 0.00038 -0.00056 152 8D-1 -0.00079 -0.00584 -0.03778 -0.00089 -0.00019 153 8D+2 0.00015 0.00456 0.01198 0.00184 -0.00141 154 8D-2 -0.00122 -0.00983 -0.05495 0.00104 -0.00033 155 8 Cu 1S -0.00391 -0.01004 0.00201 0.00364 0.00187 156 2S -0.01002 0.07429 -0.09140 0.03492 0.01101 157 3S 0.00199 -0.09217 0.01675 0.01345 0.01815 158 4PX -0.00361 -0.03016 -0.01946 0.00209 -0.00249 159 4PY -0.00194 -0.02320 0.00101 -0.00159 0.00449 160 4PZ 0.00027 -0.00554 0.02271 0.00156 -0.00116 161 5PX -0.00330 0.03387 -0.01739 0.00211 0.01332 162 5PY -0.00201 0.04378 -0.01010 0.01057 -0.00617 163 5PZ 0.00049 0.02218 -0.00048 -0.00345 0.00346 164 6PX 0.00018 -0.02610 -0.02587 0.00280 -0.00688 165 6PY -0.00103 0.00431 -0.03151 -0.01136 0.01180 166 6PZ -0.00167 0.00688 -0.03271 0.00680 -0.01389 167 7D 0 -0.00032 -0.02756 -0.18883 -0.01516 -0.00684 168 7D+1 0.00154 -0.00427 -0.00677 -0.00693 -0.00339 169 7D-1 0.00319 0.03312 -0.01825 -0.00200 -0.00564 170 7D+2 -0.00194 0.00774 0.15469 0.01365 0.01557 171 7D-2 0.00150 0.05708 0.28363 0.02395 0.00530 172 8D 0 -0.00025 -0.00878 -0.06554 -0.00245 -0.00121 173 8D+1 0.00062 -0.00209 -0.00297 -0.00196 -0.00066 174 8D-1 0.00099 0.01159 -0.00547 0.00046 -0.00114 175 8D+2 -0.00063 0.00233 0.05217 0.00128 0.00500 176 8D-2 0.00053 0.01854 0.09472 0.00511 0.00019 177 9 C 1S -0.00081 0.00788 -0.02312 -0.00096 0.00328 178 2S 0.00318 -0.01556 0.06538 0.00175 -0.00878 179 3S 0.00195 -0.02626 0.06067 0.00781 -0.00656 180 4PX -0.00066 0.03959 -0.07488 -0.00463 0.00334 181 4PY 0.00067 -0.00344 0.08320 0.00029 -0.00647 182 4PZ -0.00025 0.01836 -0.02879 0.00163 0.00255 183 5PX 0.00040 0.02029 -0.00313 -0.00266 -0.00595 184 5PY 0.00118 -0.00589 -0.01175 0.00230 -0.00077 185 5PZ 0.00035 0.00875 -0.00328 0.00036 -0.00244 186 10 O 1S -0.00015 -0.00167 -0.01320 0.00027 -0.00077 187 2S -0.00005 0.00541 0.02183 -0.00087 0.00202 188 3S -0.00042 -0.00282 0.03638 -0.00062 0.00388 189 4PX -0.00040 -0.03510 0.04095 0.00420 -0.00150 190 4PY 0.00119 -0.00574 -0.07616 0.00008 0.00421 191 4PZ 0.00004 -0.01765 0.00989 -0.00177 -0.00195 192 5PX -0.00017 -0.02111 0.01372 0.00235 0.00175 193 5PY -0.00003 -0.00691 -0.01234 -0.00002 0.00207 194 5PZ -0.00006 -0.01082 0.00481 -0.00117 0.00011 6 7 8 9 10 6 4PZ 1.99758 7 5PX 0.00725 0.08835 8 5PY 0.01069 -0.01320 0.07678 9 5PZ 0.02383 -0.00264 -0.00789 0.08772 10 6PX 0.01346 0.01541 0.00336 -0.00145 0.07652 11 6PY 0.01734 0.00165 0.00798 -0.00126 -0.03163 12 6PZ -0.04754 -0.00186 -0.00060 0.01887 -0.01435 13 7D 0 -0.00194 -0.04463 -0.00777 0.02806 -0.07195 14 7D+1 -0.00154 0.05974 -0.04320 0.03086 0.10069 15 7D-1 -0.00397 -0.04428 0.00792 0.09974 -0.08268 16 7D+2 -0.00129 0.06484 -0.08959 0.02379 0.09546 17 7D-2 0.00301 0.01802 0.03113 -0.04603 0.02324 18 8D 0 -0.00068 -0.01413 -0.00196 0.00924 -0.02428 19 8D+1 -0.00108 0.01922 -0.01476 0.00949 0.03419 20 8D-1 -0.00104 -0.01513 0.00172 0.03259 -0.02754 21 8D+2 0.00015 0.02130 -0.02903 0.00811 0.03133 22 8D-2 0.00033 0.00517 0.00893 -0.01567 0.00753 23 2 Cu 1S 0.00332 -0.00004 0.00248 0.00190 -0.00267 24 2S 0.03482 0.06732 -0.02574 -0.05851 0.01824 25 3S 0.02111 0.02167 0.00890 0.01510 -0.02316 26 4PX 0.00136 0.00242 -0.00500 -0.00969 0.00075 27 4PY 0.00101 0.00784 -0.00782 0.00234 0.00305 28 4PZ 0.00182 -0.00110 0.01171 -0.00071 -0.00902 29 5PX -0.00512 0.00357 -0.00338 -0.00169 0.01597 30 5PY 0.00627 -0.00868 0.00861 0.00577 0.00222 31 5PZ -0.00044 -0.00746 -0.00087 0.01368 -0.00245 32 6PX -0.00293 0.00071 -0.00553 -0.00760 -0.01828 33 6PY -0.01767 -0.00638 0.00229 0.00495 -0.01204 34 6PZ -0.00110 0.00405 0.00378 0.00649 -0.01839 35 7D 0 0.00168 0.07314 -0.07342 0.00951 0.01082 36 7D+1 -0.02018 -0.00147 0.04166 0.08881 0.09151 37 7D-1 0.01582 0.08260 -0.03205 -0.09054 -0.04249 38 7D+2 0.00222 -0.03328 -0.03825 0.02924 0.03949 39 7D-2 -0.01682 -0.00407 0.02277 0.06965 0.04011 40 8D 0 -0.00190 0.02421 -0.02457 0.00329 0.00375 41 8D+1 -0.00384 -0.00076 0.01451 0.03087 0.03133 42 8D-1 0.00293 0.02757 -0.01109 -0.03018 -0.01423 43 8D+2 0.00040 -0.01026 -0.01342 0.00938 0.01272 44 8D-2 -0.00473 -0.00167 0.00751 0.02323 0.01364 45 3 Cu 1S 0.00340 0.00208 0.00112 0.00314 -0.00085 46 2S 0.03592 -0.01154 0.01187 -0.05735 0.00760 47 3S 0.00206 0.00811 0.00503 0.01763 -0.00459 48 4PX -0.00078 -0.01127 0.00513 0.00704 0.01837 49 4PY 0.00057 0.00503 -0.01146 -0.00074 -0.01471 50 4PZ 0.00160 0.01056 0.00376 0.00669 -0.00618 51 5PX 0.00663 0.01420 -0.00609 -0.00767 0.02353 52 5PY 0.00394 -0.00869 0.01691 -0.00658 0.00169 53 5PZ -0.00008 -0.00250 0.00152 0.00422 0.00013 54 6PX -0.00835 0.02384 -0.00062 0.00433 -0.01758 55 6PY 0.00125 -0.00309 0.00824 0.01765 0.02629 56 6PZ -0.00102 0.00231 0.00401 0.02056 0.00674 57 7D 0 0.01129 -0.02867 -0.04660 -0.04564 -0.01062 58 7D+1 0.02134 -0.07429 -0.03262 -0.07964 0.01294 59 7D-1 0.01297 -0.03425 -0.06046 -0.06656 -0.04084 60 7D+2 0.00408 -0.01594 -0.02329 -0.00324 -0.02815 61 7D-2 0.01298 -0.00478 -0.00269 -0.05803 -0.01623 62 8D 0 0.00077 -0.00902 -0.01563 -0.01624 -0.00285 63 8D+1 0.00404 -0.02593 -0.01069 -0.02684 0.00314 64 8D-1 0.00178 -0.01105 -0.02080 -0.02236 -0.01340 65 8D+2 0.00063 -0.00551 -0.00738 -0.00075 -0.00955 66 8D-2 0.00421 -0.00150 -0.00101 -0.01987 -0.00501 67 4 Cu 1S 0.00160 0.00266 0.00033 0.00125 0.00133 68 2S 0.01534 -0.07989 0.06788 -0.02603 0.01683 69 3S 0.01104 0.02072 0.03125 0.01415 0.03709 70 4PX -0.00048 0.00413 0.00402 0.00642 0.02158 71 4PY 0.00048 -0.00967 0.00283 -0.00265 0.00436 72 4PZ 0.00162 0.00442 0.00354 -0.00633 0.01644 73 5PX 0.00704 0.01589 -0.00860 0.00263 0.01382 74 5PY -0.00065 -0.00408 0.00064 -0.00290 -0.00816 75 5PZ -0.00591 0.00327 -0.00491 0.00813 0.00004 76 6PX -0.00788 0.00634 0.00108 0.00149 0.01114 77 6PY -0.00383 -0.01257 -0.00280 -0.00647 0.00900 78 6PZ 0.00957 -0.00037 -0.00043 0.00327 0.02245 79 7D 0 -0.01177 0.02196 -0.02928 0.08429 -0.06393 80 7D+1 -0.00661 -0.10096 0.06238 0.04355 -0.02028 81 7D-1 0.00121 0.03701 0.00566 0.01091 -0.05162 82 7D+2 0.00702 -0.05577 0.09161 -0.05727 0.04209 83 7D-2 -0.01068 0.09582 0.01828 0.03127 0.00082 84 8D 0 -0.00428 0.00802 -0.00983 0.02856 -0.02157 85 8D+1 -0.00406 -0.03384 0.02048 0.01441 -0.00706 86 8D-1 0.00116 0.01236 0.00172 0.00408 -0.01731 87 8D+2 0.00219 -0.01798 0.03004 -0.01885 0.01387 88 8D-2 -0.00305 0.03309 0.00572 0.01066 -0.00057 89 5 Cu 1S -0.00263 0.00109 0.00274 -0.00063 -0.00068 90 2S -0.03670 0.00476 -0.04666 0.08038 0.01747 91 3S -0.01554 0.02525 0.00941 0.00836 0.00516 92 4PX -0.00187 -0.00604 0.00409 0.00607 -0.00294 93 4PY -0.00252 0.00748 -0.00389 0.00224 0.01349 94 4PZ 0.00068 -0.00022 -0.01444 0.00392 0.00265 95 5PX 0.00272 0.00510 -0.00145 -0.00777 0.01021 96 5PY 0.00012 -0.00136 0.01147 -0.01155 0.00349 97 5PZ -0.00216 -0.00286 -0.00249 0.00955 -0.00326 98 6PX 0.00866 0.00232 -0.00181 0.00302 -0.02559 99 6PY 0.02177 0.00117 0.00636 -0.00689 0.01584 100 6PZ 0.00463 -0.00798 -0.00746 0.00138 0.00747 101 7D 0 0.00049 -0.02422 -0.04135 -0.02247 -0.01282 102 7D+1 0.00831 -0.04106 0.04347 -0.03310 0.00322 103 7D-1 0.02761 0.03241 0.10348 -0.09313 -0.01570 104 7D+2 0.01553 0.06390 0.00256 -0.08285 0.14309 105 7D-2 -0.00914 0.04973 -0.03517 0.05226 0.04621 106 8D 0 0.00256 -0.00854 -0.01481 -0.00665 -0.00386 107 8D+1 0.00139 -0.01341 0.01412 -0.01064 0.00094 108 8D-1 0.00488 0.01071 0.03520 -0.03157 -0.00526 109 8D+2 0.00371 0.02187 0.00089 -0.02770 0.04806 110 8D-2 -0.00226 0.01656 -0.01198 0.01709 0.01559 111 6 Cu 1S -0.00016 0.00057 0.00712 0.00129 0.00183 112 2S 0.00012 0.02688 -0.03168 0.00708 0.00993 113 3S 0.01218 0.00107 0.06437 0.00982 0.01057 114 4PX -0.00144 -0.00430 -0.00289 0.00403 0.00297 115 4PY -0.00090 -0.00660 0.01891 0.00181 -0.00199 116 4PZ 0.00529 0.00350 0.00360 -0.01213 -0.00903 117 5PX 0.00400 0.00601 -0.00555 -0.00845 0.00913 118 5PY 0.00927 0.03192 0.00516 0.01239 0.01488 119 5PZ -0.01659 -0.00291 -0.00530 0.02020 -0.00680 120 6PX -0.00977 -0.01209 -0.00306 -0.00234 0.00757 121 6PY -0.00310 -0.00320 0.00440 0.00007 0.00536 122 6PZ 0.02526 -0.00296 0.00141 -0.00820 0.02678 123 7D 0 -0.00262 -0.01305 0.05403 0.00021 -0.01280 124 7D+1 -0.00119 0.01574 -0.00866 0.00893 0.03096 125 7D-1 -0.00751 0.00698 -0.03116 -0.01490 -0.01576 126 7D+2 -0.00421 0.00821 0.08868 0.01376 0.05909 127 7D-2 0.00047 -0.00440 -0.01144 0.00188 -0.04575 128 8D 0 -0.00140 -0.00403 0.01807 0.00047 -0.00455 129 8D+1 -0.00065 0.00484 -0.00299 0.00358 0.01058 130 8D-1 -0.00365 0.00276 -0.01004 -0.00676 -0.00481 131 8D+2 -0.00127 0.00355 0.02974 0.00433 0.02045 132 8D-2 0.00049 -0.00202 -0.00380 0.00123 -0.01504 133 7 Cu 1S -0.00055 -0.00031 -0.00016 -0.00016 0.00001 134 2S 0.00354 -0.00364 -0.01054 -0.00314 -0.02279 135 3S -0.00696 -0.00422 -0.02237 -0.00515 -0.00955 136 4PX -0.00108 -0.00677 -0.00040 -0.00080 0.00800 137 4PY -0.00118 -0.00108 -0.00380 -0.00035 -0.00798 138 4PZ 0.00217 -0.00090 -0.00005 -0.00556 -0.00383 139 5PX 0.00108 0.01659 -0.00260 -0.00209 0.00392 140 5PY 0.00039 -0.00176 0.01307 -0.00180 0.00397 141 5PZ -0.00692 -0.00196 -0.00222 0.01912 0.00199 142 6PX 0.00014 -0.01689 -0.00746 -0.00400 0.00945 143 6PY 0.00036 0.00200 -0.00781 0.00134 -0.00771 144 6PZ -0.00542 -0.00262 -0.00319 -0.01198 -0.00776 145 7D 0 0.00349 -0.00587 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22 8D-2 0.01580 -0.02852 -0.00216 0.00059 0.00002 23 2 Cu 1S 0.00017 0.00165 0.00002 -0.00293 -0.00386 24 2S 0.02563 0.01194 0.00001 -0.05417 -0.00644 25 3S 0.02913 0.03364 0.05096 -0.21960 0.03884 26 4PX 0.00632 -0.00175 0.01575 -0.00558 0.01325 27 4PY 0.00738 0.01697 -0.01313 0.01623 0.00015 28 4PZ 0.01996 0.01038 0.00332 0.01651 -0.01732 29 5PX -0.00927 -0.01079 -0.05381 0.05155 -0.03911 30 5PY 0.00715 0.00077 0.02597 -0.06562 -0.00637 31 5PZ 0.00247 0.01683 0.00918 -0.06581 0.05884 32 6PX 0.01068 0.00014 0.02518 0.01050 0.02535 33 6PY -0.01468 0.03525 0.01300 0.02520 0.05198 34 6PZ 0.02257 -0.00686 0.01063 -0.03412 -0.01372 35 7D 0 -0.06200 0.08309 0.03517 0.01060 -0.00961 36 7D+1 -0.04714 0.02511 0.00177 -0.01050 0.03684 37 7D-1 -0.01508 0.03642 -0.01422 0.03034 0.00022 38 7D+2 -0.07412 0.08895 -0.01499 -0.02363 -0.02585 39 7D-2 -0.01112 -0.00988 0.03834 -0.00717 -0.00363 40 8D 0 -0.02095 0.02802 0.00421 0.00457 -0.00170 41 8D+1 -0.01599 0.00733 -0.00236 -0.00284 0.00815 42 8D-1 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0.00831 0.00097 0.00494 -0.00538 -0.00396 63 8D+1 -0.01684 0.00406 -0.00338 -0.00487 -0.00697 64 8D-1 -0.01370 0.00577 -0.00508 -0.00560 -0.00019 65 8D+2 0.00006 0.00322 -0.00293 0.00539 -0.00553 66 8D-2 0.00332 0.00163 -0.00735 -0.00091 0.00150 67 4 Cu 1S -0.00246 0.00023 0.00029 -0.00281 -0.00179 68 2S 0.00817 0.00866 -0.02120 -0.00506 -0.01131 69 3S -0.01625 0.01408 -0.09132 0.03098 -0.08452 70 4PX -0.00122 0.01573 0.00798 -0.01535 0.01096 71 4PY 0.00546 0.00485 -0.00295 0.00912 -0.00044 72 4PZ 0.00233 -0.00578 0.01175 0.00692 -0.00745 73 5PX -0.00067 0.00121 -0.03895 0.04331 -0.05341 74 5PY 0.00978 -0.00397 0.01228 -0.02834 0.01658 75 5PZ -0.00051 0.01091 -0.02266 -0.00877 0.03204 76 6PX -0.01439 0.01893 0.01284 0.00763 0.01592 77 6PY -0.01999 0.00651 0.00803 0.02883 0.01768 78 6PZ -0.00397 -0.02621 -0.01675 0.00491 -0.05479 79 7D 0 -0.00002 0.11449 -0.00697 0.02983 -0.01103 80 7D+1 -0.04250 0.09307 0.03149 0.01274 -0.01327 81 7D-1 0.01276 0.08663 -0.02314 -0.02303 0.00687 82 7D+2 -0.03745 -0.03436 -0.00373 -0.00357 0.02267 83 7D-2 0.06546 -0.06597 0.00382 0.03370 -0.00243 84 8D 0 0.00032 0.03834 -0.00245 0.00489 0.00034 85 8D+1 -0.01422 0.03130 0.00624 0.00016 0.00016 86 8D-1 0.00454 0.02837 -0.00702 -0.00611 0.00126 87 8D+2 -0.01211 -0.01177 0.00011 -0.00162 0.00408 88 8D-2 0.02261 -0.02212 0.00073 0.00854 -0.00038 89 5 Cu 1S 0.00095 -0.00304 0.00438 0.00035 -0.00055 90 2S 0.02535 0.01168 0.05821 0.01293 -0.03504 91 3S 0.03967 -0.03074 0.17330 -0.02259 -0.18715 92 4PX 0.01944 -0.00352 -0.00312 -0.01504 0.00909 93 4PY 0.01503 -0.00881 -0.01923 0.00794 0.01532 94 4PZ -0.00796 0.00615 -0.00238 -0.00501 -0.02336 95 5PX -0.00464 0.00187 0.00601 0.04816 -0.03404 96 5PY 0.00965 -0.00228 0.07203 -0.02472 -0.05401 97 5PZ -0.01268 0.01996 -0.01698 0.02816 0.10823 98 6PX 0.02497 -0.00657 0.00399 -0.04526 0.01650 99 6PY -0.00040 -0.03302 -0.03431 -0.00176 -0.04889 100 6PZ -0.00587 -0.01428 -0.04360 -0.00542 -0.01415 101 7D 0 0.00883 -0.03395 0.03873 -0.00268 0.01695 102 7D+1 -0.00215 0.01733 0.00156 0.02694 -0.01497 103 7D-1 0.00485 0.09207 0.01694 -0.01717 -0.03085 104 7D+2 -0.07963 -0.01442 0.02914 -0.00907 -0.00180 105 7D-2 -0.02886 -0.03456 -0.01736 -0.03015 0.01168 106 8D 0 0.00354 -0.01266 0.00739 -0.00183 0.00092 107 8D+1 -0.00039 0.00561 0.00168 0.00439 -0.00358 108 8D-1 0.00113 0.03134 0.00495 -0.00474 -0.00877 109 8D+2 -0.02660 -0.00483 0.00437 0.00094 -0.00325 110 8D-2 -0.01003 -0.01144 -0.00344 -0.00266 0.00307 111 6 Cu 1S -0.00109 0.00036 -0.00094 0.00121 -0.00078 112 2S 0.01284 0.00646 -0.04287 0.01761 0.00970 113 3S 0.02648 0.00587 -0.13896 0.00252 0.06178 114 4PX 0.00391 -0.00804 0.00379 -0.00009 -0.00133 115 4PY -0.00478 -0.00450 0.01598 -0.00324 -0.00715 116 4PZ -0.00189 0.01809 0.00315 -0.00336 0.00423 117 5PX -0.00121 -0.00899 -0.02043 0.01671 -0.01487 118 5PY 0.03832 0.00737 -0.11691 -0.00611 0.03123 119 5PZ 0.00021 0.02550 0.00672 0.02919 0.02842 120 6PX -0.02451 0.02217 0.00145 0.02533 0.01343 121 6PY -0.00289 0.00950 0.01138 -0.01003 -0.01030 122 6PZ -0.00496 -0.03733 -0.02342 -0.00482 -0.03115 123 7D 0 -0.00712 -0.00320 -0.01383 -0.00625 0.02260 124 7D+1 -0.01913 0.01862 -0.00207 -0.01698 0.00316 125 7D-1 0.01622 -0.02385 0.01769 0.00203 0.03825 126 7D+2 -0.04483 0.01187 0.00396 -0.00041 0.01555 127 7D-2 0.01095 -0.01001 0.00463 0.00821 0.00306 128 8D 0 -0.00249 -0.00078 -0.00317 -0.00161 0.00472 129 8D+1 -0.00690 0.00703 -0.00091 -0.00497 -0.00011 130 8D-1 0.00475 -0.00869 0.00387 0.00143 0.00710 131 8D+2 -0.01507 0.00371 0.00299 -0.00045 0.00304 132 8D-2 0.00199 -0.00328 0.00016 0.00159 0.00019 133 7 Cu 1S -0.00116 -0.00013 0.00169 -0.00252 -0.00338 134 2S -0.00610 -0.01030 0.00849 -0.01507 -0.02603 135 3S -0.00615 -0.00422 0.00744 -0.03374 -0.04227 136 4PX -0.00925 -0.00394 0.00125 -0.00117 0.00002 137 4PY 0.00445 -0.00502 0.00186 -0.00118 -0.00106 138 4PZ -0.00558 0.01150 -0.00089 -0.00143 -0.00314 139 5PX 0.00139 0.00174 -0.00579 0.00466 -0.01010 140 5PY 0.00143 0.00194 0.00465 -0.00786 -0.00608 141 5PZ 0.00068 0.00169 0.00310 -0.00045 0.01397 142 6PX -0.00834 -0.00731 0.00614 -0.01373 -0.00628 143 6PY 0.00657 -0.00621 -0.01551 -0.00444 -0.00023 144 6PZ -0.00619 0.01968 0.02136 0.01280 0.00181 145 7D 0 0.02803 -0.03479 -0.00136 0.00651 0.00628 146 7D+1 -0.02978 -0.01045 0.00495 -0.00342 -0.00018 147 7D-1 0.00965 0.08036 0.00682 -0.00108 -0.00668 148 7D+2 -0.04260 0.03349 -0.00241 0.00593 -0.00163 149 7D-2 0.05571 -0.02160 0.00386 -0.00678 -0.00589 150 8D 0 0.00907 -0.01168 0.00014 0.00263 0.00290 151 8D+1 -0.00968 -0.00341 0.00194 -0.00095 -0.00046 152 8D-1 0.00329 0.02657 0.00309 -0.00092 -0.00262 153 8D+2 -0.01427 0.01123 -0.00119 0.00256 -0.00054 154 8D-2 0.01842 -0.00702 0.00289 -0.00293 -0.00365 155 8 Cu 1S -0.00088 -0.00169 0.00056 -0.00365 0.00091 156 2S 0.02442 0.00355 -0.02119 -0.04161 0.01809 157 3S -0.00008 -0.03927 -0.17453 -0.08426 -0.05279 158 4PX -0.00701 0.00984 0.01484 0.00121 0.00354 159 4PY 0.01204 -0.01204 0.00830 0.00556 -0.00239 160 4PZ -0.01499 0.01131 -0.00520 0.01261 0.00229 161 5PX 0.00142 -0.00196 -0.06770 -0.01659 -0.02616 162 5PY 0.01190 -0.00929 -0.03612 -0.04237 0.00252 163 5PZ -0.01179 0.01480 0.02837 -0.01119 0.02542 164 6PX 0.00807 -0.00300 -0.02528 -0.01306 -0.02408 165 6PY -0.00745 0.03856 0.04181 0.02959 0.02060 166 6PZ 0.02507 0.01302 0.00157 0.00519 0.03857 167 7D 0 0.05521 0.00696 -0.03171 -0.01201 -0.00205 168 7D+1 -0.03023 -0.02726 -0.01812 0.03978 0.03067 169 7D-1 0.00443 0.02386 -0.00452 0.02958 -0.00131 170 7D+2 -0.00114 -0.00827 0.00749 -0.00351 0.00774 171 7D-2 -0.00911 -0.04643 0.00561 0.00811 0.00056 172 8D 0 0.01818 0.00311 -0.00951 -0.00255 -0.00028 173 8D+1 -0.00992 -0.00898 -0.00288 0.00716 0.00838 174 8D-1 0.00189 0.00854 0.00043 0.00595 -0.00116 175 8D+2 0.00008 -0.00360 0.00119 -0.00102 0.00066 176 8D-2 -0.00342 -0.01422 -0.00010 0.00013 0.00078 177 9 C 1S 0.00643 0.00149 -0.00365 0.00209 -0.00133 178 2S -0.01238 -0.00367 0.01107 -0.00395 0.00109 179 3S -0.01338 -0.00554 -0.00750 -0.02181 0.01942 180 4PX 0.03783 0.00680 -0.01904 0.00846 0.00248 181 4PY -0.01551 -0.00596 0.00264 -0.00050 0.00338 182 4PZ 0.01804 -0.00308 -0.00382 0.00698 0.01048 183 5PX 0.00442 0.00026 0.01326 0.00542 -0.00290 184 5PY 0.00248 -0.00028 -0.00536 -0.00191 0.00576 185 5PZ 0.00202 0.00385 -0.00034 -0.00601 0.00807 186 10 O 1S 0.00537 0.00072 0.00067 -0.00031 0.00051 187 2S -0.00910 -0.00110 -0.00187 0.00063 -0.00127 188 3S -0.01694 -0.00274 -0.00220 0.00268 -0.00423 189 4PX 0.02032 -0.00290 0.01526 -0.00659 -0.00144 190 4PY 0.04713 0.00252 0.00172 -0.00145 -0.00440 191 4PZ 0.02099 -0.03085 0.00294 -0.00686 -0.00731 192 5PX 0.00950 -0.00092 0.00415 -0.00563 -0.00033 193 5PY 0.01342 -0.00035 0.00108 0.00130 -0.00249 194 5PZ 0.00884 -0.01497 0.00140 -0.00150 -0.00689 16 17 18 19 20 16 7D+2 1.49728 17 7D-2 -0.00632 1.49981 18 8D 0 -0.00233 -0.00266 0.15877 19 8D+1 0.00312 0.00076 -0.00070 0.16002 20 8D-1 -0.00009 0.00025 0.00056 0.00060 0.16084 21 8D+2 0.48632 -0.00276 -0.00133 0.00091 0.00016 22 8D-2 -0.00226 0.49039 -0.00109 0.00049 0.00026 23 2 Cu 1S 0.00345 -0.00137 0.00029 -0.00142 -0.00087 24 2S 0.04310 -0.01712 -0.00047 -0.01786 -0.00238 25 3S 0.08334 -0.10656 0.01716 -0.07521 0.01315 26 4PX -0.00801 -0.00341 0.00432 -0.00001 0.00249 27 4PY -0.00826 -0.00258 -0.00309 0.00275 0.00316 28 4PZ -0.00439 0.01602 0.00363 0.00166 -0.00165 29 5PX 0.02506 0.03212 -0.01767 0.01786 -0.01287 30 5PY 0.01502 0.00270 0.00819 -0.02166 -0.00207 31 5PZ 0.03390 -0.06571 0.00353 -0.02157 0.01962 32 6PX -0.04333 0.01563 0.00876 0.00372 0.00872 33 6PY 0.00060 -0.03894 0.00355 0.00837 0.01756 34 6PZ -0.02850 0.00595 0.00394 -0.01165 -0.00498 35 7D 0 -0.00725 0.03472 0.00456 0.00215 -0.00163 36 7D+1 -0.02239 -0.00941 -0.00236 -0.00360 0.00730 37 7D-1 -0.03029 -0.00450 -0.00476 0.00596 0.00090 38 7D+2 0.01540 0.00034 -0.00537 -0.00364 -0.00426 39 7D-2 0.00396 0.00235 0.00829 -0.00215 -0.00104 40 8D 0 -0.00011 0.00563 -0.00093 0.00105 -0.00006 41 8D+1 -0.00438 -0.00219 -0.00177 -0.00097 0.00103 42 8D-1 -0.00631 0.00040 -0.00212 0.00087 -0.00047 43 8D+2 0.00256 -0.00249 -0.00172 -0.00050 0.00038 44 8D-2 0.00354 0.00027 0.00141 -0.00048 0.00033 45 3 Cu 1S -0.00096 -0.00039 0.00106 0.00006 -0.00090 46 2S -0.00558 0.02259 0.01725 0.01358 -0.00350 47 3S 0.04664 0.06792 0.07500 0.08346 0.05244 48 4PX 0.00149 -0.00458 -0.00469 0.00058 -0.00194 49 4PY -0.00171 -0.00300 -0.00321 -0.00230 0.00301 50 4PZ -0.00439 -0.01033 0.00022 -0.00468 -0.00352 51 5PX 0.02839 0.02367 0.01634 0.01813 0.00321 52 5PY -0.02717 0.01145 0.01301 0.00702 0.00048 53 5PZ 0.02092 0.01938 0.02492 0.03231 0.02774 54 6PX -0.03815 -0.01204 -0.00460 0.00048 -0.00270 55 6PY 0.01944 0.03627 -0.00968 -0.00975 -0.00721 56 6PZ 0.02840 -0.02141 0.01097 0.00559 0.00614 57 7D 0 -0.01252 -0.03664 0.00266 -0.00747 -0.00491 58 7D+1 0.02319 -0.00338 -0.00527 -0.00438 -0.00570 59 7D-1 -0.02484 0.00880 -0.00597 -0.00480 0.00222 60 7D+2 -0.00211 -0.00640 -0.00413 0.00484 -0.00517 61 7D-2 -0.00799 -0.00227 -0.00645 -0.00013 0.00314 62 8D 0 -0.00314 -0.00954 -0.00030 -0.00090 -0.00015 63 8D+1 0.00650 -0.00033 -0.00044 -0.00135 -0.00093 64 8D-1 -0.00767 0.00092 -0.00157 -0.00065 -0.00046 65 8D+2 -0.00277 -0.00144 -0.00103 0.00077 -0.00050 66 8D-2 -0.00397 -0.00263 -0.00101 -0.00025 -0.00001 67 4 Cu 1S -0.00283 -0.00422 -0.00008 -0.00067 -0.00071 68 2S -0.02951 -0.04550 -0.00811 -0.00147 -0.00323 69 3S -0.01196 -0.24392 -0.03096 0.01070 -0.02863 70 4PX -0.00383 0.01837 0.00030 -0.00156 0.00249 71 4PY 0.01716 -0.00191 -0.00020 0.00208 0.00032 72 4PZ -0.00757 0.01110 0.00301 0.00398 -0.00344 73 5PX 0.01686 -0.08605 -0.01306 0.01422 -0.01765 74 5PY -0.05519 0.04626 0.00431 -0.00952 0.00567 75 5PZ 0.01897 -0.05229 -0.00696 -0.00248 0.01087 76 6PX 0.02514 -0.01979 0.00399 0.00209 0.00556 77 6PY 0.04764 0.03138 0.00194 0.00999 0.00627 78 6PZ 0.01296 0.02704 -0.00522 0.00218 -0.01844 79 7D 0 0.00137 0.00272 -0.00272 0.00322 -0.00124 80 7D+1 -0.00415 0.02479 0.00387 0.00133 -0.00169 81 7D-1 0.02847 -0.00098 -0.00558 -0.00596 0.00227 82 7D+2 0.02736 0.03290 -0.00051 0.00073 0.00388 83 7D-2 0.03076 0.00059 0.00119 0.00672 -0.00135 84 8D 0 0.00229 0.00039 -0.00090 -0.00061 0.00089 85 8D+1 -0.00182 0.00471 -0.00010 -0.00088 0.00095 86 8D-1 0.00629 0.00002 -0.00163 -0.00148 0.00042 87 8D+2 0.00336 0.00921 0.00031 0.00007 0.00013 88 8D-2 0.00482 0.00040 0.00027 0.00132 -0.00031 89 5 Cu 1S 0.00192 -0.00365 0.00171 -0.00002 -0.00078 90 2S 0.00231 -0.01861 0.02062 0.00555 -0.00999 91 3S -0.05391 -0.04400 0.06036 -0.00696 -0.06280 92 4PX 0.00579 0.00848 -0.00062 -0.00592 0.00121 93 4PY 0.00100 -0.00536 -0.00527 0.00115 -0.00006 94 4PZ -0.01325 0.00641 -0.00241 -0.00068 -0.00330 95 5PX 0.00372 -0.01479 0.00164 0.01578 -0.01107 96 5PY -0.02054 0.00140 0.02368 -0.00808 -0.01765 97 5PZ 0.04122 -0.00949 -0.00635 0.00929 0.03603 98 6PX -0.03430 0.01712 0.00193 -0.01536 0.00594 99 6PY -0.00350 0.01045 -0.01130 0.00018 -0.01634 100 6PZ 0.00303 0.03345 -0.01504 -0.00165 -0.00469 101 7D 0 0.03533 -0.01691 0.00692 -0.00147 0.00359 102 7D+1 -0.02075 -0.03296 0.00030 0.00571 -0.00281 103 7D-1 0.00431 0.01459 0.00573 -0.00439 -0.00739 104 7D+2 -0.00434 0.00708 0.00457 0.00070 -0.00107 105 7D-2 0.00655 0.01206 -0.00301 -0.00413 0.00248 106 8D 0 0.00814 -0.00264 0.00052 -0.00078 -0.00035 107 8D+1 -0.00624 -0.00641 0.00048 0.00042 -0.00046 108 8D-1 0.00223 0.00529 0.00166 -0.00115 -0.00196 109 8D+2 -0.00268 0.00049 -0.00022 0.00154 -0.00122 110 8D-2 0.00210 0.00159 -0.00025 0.00107 0.00057 111 6 Cu 1S 0.00126 -0.00187 0.00014 0.00025 -0.00047 112 2S -0.03844 -0.01850 -0.01352 0.00632 0.00285 113 3S -0.23910 -0.02064 -0.04619 0.00112 0.02075 114 4PX 0.00142 0.00557 0.00123 -0.00002 -0.00050 115 4PY 0.02105 0.00268 0.00479 -0.00149 -0.00208 116 4PZ 0.00601 0.00066 0.00110 -0.00150 0.00290 117 5PX 0.03418 0.00156 -0.00789 0.00579 -0.00506 118 5PY -0.18780 -0.04699 -0.03840 -0.00161 0.01053 119 5PZ -0.01978 -0.02556 0.00275 0.01037 0.01078 120 6PX 0.01993 -0.00720 -0.00079 0.00856 0.00423 121 6PY 0.00223 -0.02502 0.00329 -0.00345 -0.00352 122 6PZ 0.01172 0.01375 -0.00788 -0.00092 -0.01065 123 7D 0 -0.00360 0.00901 -0.00438 -0.00194 0.00534 124 7D+1 0.00498 0.00978 -0.00148 -0.00577 0.00040 125 7D-1 0.01298 0.00033 0.00369 0.00086 0.00803 126 7D+2 -0.02664 0.01638 0.00148 -0.00029 0.00330 127 7D-2 0.00223 0.05455 0.00026 0.00221 0.00099 128 8D 0 0.00008 0.00315 -0.00095 -0.00051 0.00089 129 8D+1 0.00147 0.00126 -0.00056 -0.00166 -0.00022 130 8D-1 0.00179 -0.00127 0.00055 0.00053 0.00082 131 8D+2 -0.00491 0.00416 0.00105 -0.00020 0.00039 132 8D-2 0.00072 0.00933 -0.00036 0.00036 0.00006 133 7 Cu 1S 0.00082 -0.00575 0.00056 -0.00080 -0.00110 134 2S 0.00706 -0.04705 0.00407 -0.00677 -0.01067 135 3S -0.01118 -0.08598 0.00397 -0.01304 -0.01597 136 4PX -0.00072 -0.00261 0.00037 -0.00016 0.00052 137 4PY 0.00133 -0.00172 0.00060 0.00023 0.00004 138 4PZ -0.00004 0.00015 -0.00101 -0.00075 -0.00141 139 5PX 0.00278 -0.00454 -0.00181 0.00157 -0.00383 140 5PY -0.00323 -0.00397 0.00226 -0.00329 -0.00254 141 5PZ 0.00372 -0.01164 0.00096 -0.00059 0.00471 142 6PX 0.01619 0.00529 0.00177 -0.00429 -0.00178 143 6PY -0.02020 -0.01342 -0.00484 -0.00124 0.00005 144 6PZ -0.00612 -0.00610 0.00658 0.00400 0.00069 145 7D 0 0.00098 0.00274 -0.00079 0.00276 0.00430 146 7D+1 0.00319 -0.00730 0.00261 -0.00119 -0.00033 147 7D-1 -0.00138 -0.00527 0.00333 -0.00171 -0.00187 148 7D+2 0.00506 0.00282 -0.00153 0.00360 -0.00091 149 7D-2 0.00520 -0.00817 0.00296 -0.00283 -0.00485 150 8D 0 0.00075 0.00181 -0.00007 0.00111 0.00174 151 8D+1 0.00141 -0.00388 0.00097 -0.00035 -0.00025 152 8D-1 0.00051 -0.00295 0.00138 -0.00081 -0.00079 153 8D+2 0.00253 0.00128 -0.00069 0.00143 -0.00029 154 8D-2 0.00408 -0.00385 0.00156 -0.00119 -0.00222 155 8 Cu 1S 0.00144 -0.00144 0.00007 -0.00126 0.00015 156 2S 0.04348 0.02842 -0.00680 -0.01378 0.00696 157 3S 0.20457 0.24076 -0.06073 -0.02892 -0.01717 158 4PX -0.01032 -0.02599 0.00237 0.00068 0.00037 159 4PY -0.01431 -0.00871 0.00123 0.00164 -0.00167 160 4PZ -0.00032 0.00228 -0.00211 0.00520 0.00121 161 5PX 0.09258 0.10036 -0.02302 -0.00548 -0.00824 162 5PY 0.01890 0.03818 -0.01241 -0.01462 0.00096 163 5PZ 0.00573 -0.02686 0.00983 -0.00300 0.00915 164 6PX 0.00579 -0.00360 -0.00828 -0.00497 -0.00812 165 6PY 0.00192 0.00230 0.01380 0.00826 0.00661 166 6PZ -0.04567 -0.01935 0.00140 0.00146 0.01344 167 7D 0 0.00267 0.00800 -0.00891 -0.00428 -0.00077 168 7D+1 0.00171 0.01388 -0.00452 0.00731 0.00734 169 7D-1 0.00572 0.00613 -0.00034 0.00487 -0.00212 170 7D+2 0.02261 -0.04920 0.00169 0.00028 0.00178 171 7D-2 -0.04465 -0.01265 -0.00055 0.00184 0.00064 172 8D 0 -0.00108 0.00150 -0.00260 -0.00094 -0.00012 173 8D+1 -0.00045 0.00230 -0.00046 0.00043 0.00185 174 8D-1 0.00169 0.00104 0.00053 0.00030 -0.00092 175 8D+2 0.00435 -0.00973 0.00012 0.00013 -0.00006 176 8D-2 -0.01169 -0.00638 -0.00085 -0.00023 0.00043 177 9 C 1S -0.00079 -0.00536 -0.00143 0.00064 -0.00010 178 2S 0.00786 0.01180 0.00358 -0.00105 -0.00013 179 3S -0.05736 0.02111 -0.00252 -0.00727 0.00573 180 4PX -0.01272 -0.00059 -0.00633 0.00308 0.00079 181 4PY 0.00092 0.01131 0.00084 -0.00030 0.00104 182 4PZ -0.00599 -0.00458 -0.00083 0.00257 0.00441 183 5PX 0.01680 0.01355 0.00456 0.00183 -0.00093 184 5PY -0.01801 0.00507 -0.00165 -0.00057 0.00176 185 5PZ 0.01237 0.00474 0.00003 -0.00206 0.00304 186 10 O 1S 0.00006 0.00146 0.00015 0.00004 0.00030 187 2S -0.00044 -0.00380 -0.00042 -0.00007 -0.00065 188 3S 0.00349 -0.00904 -0.00054 0.00052 -0.00151 189 4PX 0.00857 0.00192 0.00527 -0.00257 -0.00053 190 4PY 0.00271 -0.00877 0.00071 -0.00004 -0.00154 191 4PZ 0.00519 0.00424 0.00049 -0.00275 -0.00291 192 5PX -0.00031 -0.00440 0.00144 -0.00203 -0.00014 193 5PY 0.00581 -0.00451 0.00036 0.00054 -0.00077 194 5PZ -0.00127 0.00066 0.00017 -0.00070 -0.00270 21 22 23 24 25 21 8D+2 0.15814 22 8D-2 -0.00096 0.16059 23 2 Cu 1S 0.00126 -0.00067 2.01145 24 2S 0.01572 -0.00308 0.01755 0.38642 25 3S 0.02934 -0.03448 0.01037 0.23192 0.39904 26 4PX -0.00324 -0.00014 0.00538 0.03741 -0.06983 27 4PY -0.00348 -0.00262 0.00101 0.00325 -0.01299 28 4PZ -0.00147 0.00313 -0.00354 -0.02307 0.04590 29 5PX 0.00800 0.01071 -0.00371 -0.05087 -0.10403 30 5PY 0.00451 0.00092 -0.00051 0.00059 -0.00217 31 5PZ 0.01163 -0.02123 0.00237 0.02938 0.06138 32 6PX -0.01446 0.00595 -0.00149 0.01430 -0.02236 33 6PY 0.00045 -0.01311 0.00045 -0.01942 -0.01396 34 6PZ -0.00895 0.00260 0.00068 -0.00040 0.01872 35 7D 0 -0.00225 0.00570 -0.00038 0.00037 0.02006 36 7D+1 -0.00419 -0.00345 0.00115 0.02265 0.16023 37 7D-1 -0.00696 0.00009 -0.00029 -0.00021 0.01718 38 7D+2 0.00238 -0.00072 -0.00160 -0.02159 -0.12516 39 7D-2 0.00288 0.00067 -0.00071 -0.00522 -0.02231 40 8D 0 0.00002 -0.00006 -0.00018 -0.00087 0.00601 41 8D+1 -0.00041 -0.00089 0.00030 0.00169 0.05005 42 8D-1 -0.00109 0.00065 -0.00019 0.00036 0.00575 43 8D+2 -0.00003 -0.00105 -0.00057 -0.00177 -0.03889 44 8D-2 0.00170 0.00009 -0.00023 -0.00215 -0.00769 45 3 Cu 1S -0.00033 -0.00028 -0.00226 -0.00574 -0.01001 46 2S -0.00229 0.00807 -0.00663 0.14441 0.08087 47 3S 0.01377 0.02247 -0.00556 -0.09654 -0.17937 48 4PX 0.00151 -0.00098 -0.00402 -0.04919 -0.02882 49 4PY -0.00056 -0.00021 0.00031 0.00746 0.00867 50 4PZ -0.00111 -0.00291 -0.00115 -0.00269 -0.01086 51 5PX 0.01026 0.00873 -0.00227 0.09049 -0.00245 52 5PY -0.00965 0.00434 0.00090 -0.00956 -0.00817 53 5PZ 0.00648 0.00642 -0.00194 -0.01874 -0.02659 54 6PX -0.01177 -0.00379 -0.00281 -0.00744 -0.04806 55 6PY 0.00599 0.01191 0.00010 0.00802 0.01213 56 6PZ 0.00905 -0.00777 0.00143 -0.03184 -0.00899 57 7D 0 -0.00387 -0.00865 -0.00259 -0.02707 -0.15787 58 7D+1 0.00647 0.00068 -0.00521 -0.05065 -0.09192 59 7D-1 -0.00703 0.00249 0.00121 0.00748 0.00346 60 7D+2 -0.00353 -0.00129 0.00030 0.04218 0.19191 61 7D-2 -0.00372 -0.00249 0.00136 -0.00020 -0.01818 62 8D 0 -0.00093 -0.00202 -0.00116 -0.00660 -0.05235 63 8D+1 0.00174 0.00049 -0.00163 -0.01808 -0.03229 64 8D-1 -0.00214 0.00019 0.00044 0.00222 0.00076 65 8D+2 -0.00185 -0.00022 0.00074 0.01432 0.06598 66 8D-2 -0.00169 -0.00142 0.00040 0.00116 -0.00525 67 4 Cu 1S -0.00067 -0.00170 0.00096 -0.00054 -0.00199 68 2S -0.01134 -0.01507 -0.00044 -0.07761 -0.02224 69 3S -0.00372 -0.08255 -0.00115 0.01874 0.03921 70 4PX 0.00249 0.00248 0.00217 -0.00706 0.01494 71 4PY 0.00500 0.00056 -0.00148 -0.00432 -0.00169 72 4PZ -0.00110 0.00242 -0.00066 0.00586 -0.00800 73 5PX 0.00576 -0.02812 0.00030 0.02973 0.01255 74 5PY -0.01809 0.01603 -0.00017 -0.00404 -0.01557 75 5PZ 0.00613 -0.01725 -0.00011 -0.01560 -0.00094 76 6PX 0.00802 -0.00650 0.00083 0.01820 0.03071 77 6PY 0.01551 0.01060 0.00035 -0.02644 -0.02595 78 6PZ 0.00369 0.00909 -0.00062 0.00039 -0.00705 79 7D 0 0.00161 0.00031 0.00233 0.01275 0.09225 80 7D+1 0.00013 0.00437 0.00306 0.00239 0.17646 81 7D-1 0.00554 -0.00076 -0.00076 -0.02268 0.02643 82 7D+2 0.00518 0.00573 -0.00230 -0.01640 -0.09017 83 7D-2 0.00386 -0.00084 0.00358 0.03747 0.08343 84 8D 0 0.00116 -0.00007 0.00066 0.00567 0.03201 85 8D+1 -0.00010 0.00030 0.00092 0.00096 0.05912 86 8D-1 0.00080 -0.00012 -0.00023 -0.00753 0.00859 87 8D+2 -0.00013 0.00133 -0.00072 -0.00474 -0.02980 88 8D-2 -0.00048 -0.00018 0.00100 0.01473 0.02995 89 5 Cu 1S 0.00045 -0.00102 0.00100 -0.00055 0.00033 90 2S 0.00169 -0.00470 -0.00055 -0.04320 0.02994 91 3S -0.01791 -0.01387 0.00043 0.03178 0.04569 92 4PX 0.00103 0.00350 0.00121 -0.01094 0.01481 93 4PY -0.00254 -0.00016 0.00030 -0.00188 -0.00683 94 4PZ -0.00291 0.00065 -0.00251 0.00194 -0.02166 95 5PX 0.00187 -0.00430 0.00037 0.03086 0.00507 96 5PY -0.00714 0.00050 -0.00011 0.00580 0.00571 97 5PZ 0.01337 -0.00342 -0.00056 -0.02058 -0.01949 98 6PX -0.01088 0.00643 0.00127 0.00033 0.01964 99 6PY -0.00131 0.00331 -0.00039 0.00716 -0.00103 100 6PZ 0.00075 0.01156 -0.00069 -0.02362 -0.02494 101 7D 0 0.00859 -0.00223 -0.00366 -0.03436 -0.06287 102 7D+1 -0.00393 -0.00583 0.00434 0.03330 0.15925 103 7D-1 0.00307 0.00272 0.00187 0.01456 0.04340 104 7D+2 -0.00269 -0.00077 -0.00283 0.00686 -0.15349 105 7D-2 0.00036 0.00229 -0.00002 -0.00973 0.01188 106 8D 0 0.00168 0.00032 -0.00114 -0.01344 -0.02147 107 8D+1 -0.00110 -0.00041 0.00130 0.01097 0.05391 108 8D-1 0.00130 0.00104 0.00060 0.00577 0.01444 109 8D+2 -0.00129 -0.00087 -0.00096 0.00223 -0.05130 110 8D-2 0.00010 -0.00002 0.00000 -0.00314 0.00366 111 6 Cu 1S 0.00097 -0.00060 -0.00201 -0.00406 -0.00975 112 2S -0.01070 -0.00588 -0.00506 0.12233 0.10066 113 3S -0.07919 -0.00622 -0.00754 -0.03997 -0.11949 114 4PX -0.00017 0.00297 -0.00224 -0.02417 -0.01898 115 4PY 0.00513 0.00116 -0.00286 -0.04013 -0.01744 116 4PZ 0.00178 0.00014 0.00246 0.03046 0.01804 117 5PX 0.01076 0.00093 -0.00058 0.05695 -0.00395 118 5PY -0.06104 -0.01413 -0.00223 0.09456 0.00653 119 5PZ -0.00682 -0.00887 0.00125 -0.07187 -0.00069 120 6PX 0.00612 -0.00391 -0.00047 -0.03680 -0.04368 121 6PY 0.00024 -0.00900 0.00036 -0.01417 -0.00705 122 6PZ 0.00320 0.00372 0.00012 0.02693 0.02785 123 7D 0 -0.00015 0.00288 0.00083 -0.00686 -0.00962 124 7D+1 0.00063 0.00136 -0.00098 -0.03123 -0.13360 125 7D-1 0.00236 -0.00022 0.00130 -0.02129 -0.07956 126 7D+2 -0.00766 0.00309 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0.00168 0.00033 156 2S -0.00321 -0.00105 0.00229 -0.00887 0.00263 157 3S -0.01907 -0.00171 0.01183 0.04575 0.00235 158 4PX -0.00079 0.00011 0.00205 -0.00458 0.00077 159 4PY 0.00015 0.00218 0.00018 -0.00116 -0.00663 160 4PZ 0.00204 0.00020 0.00155 -0.00120 -0.00080 161 5PX -0.00537 -0.00076 0.00046 0.01303 0.00076 162 5PY -0.00170 -0.00521 0.00100 0.00153 0.01751 163 5PZ 0.00085 0.00046 -0.00583 0.00359 0.00071 164 6PX -0.00007 -0.00128 0.00859 0.00370 0.00053 165 6PY -0.00033 0.01499 -0.00022 0.00319 0.00059 166 6PZ 0.00821 0.00024 0.00894 -0.00314 -0.00036 167 7D 0 -0.00177 -0.00008 -0.00141 0.00266 0.00592 168 7D+1 -0.00210 0.00037 0.00332 -0.01295 0.00162 169 7D-1 -0.00104 -0.00085 -0.00052 0.00404 0.01193 170 7D+2 0.00274 0.00075 0.00026 0.00084 0.00129 171 7D-2 0.00011 0.00158 0.00005 0.00238 -0.00141 172 8D 0 -0.00093 -0.00005 -0.00121 0.00050 0.00216 173 8D+1 0.00025 0.00012 0.00111 -0.00540 0.00073 174 8D-1 -0.00018 -0.00065 -0.00024 0.00130 0.00440 175 8D+2 0.00061 0.00034 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31 5PZ 0.03017 32 6PX -0.00342 0.02109 33 6PY 0.00079 -0.00110 0.03422 34 6PZ 0.00143 0.00362 -0.00251 0.02548 35 7D 0 -0.04956 -0.04665 0.01970 -0.04630 1.50484 36 7D+1 0.07643 -0.07200 0.00165 0.04076 0.00589 37 7D-1 0.00542 0.01583 0.01789 0.03011 -0.00436 38 7D+2 0.01191 0.04915 0.02193 -0.05015 0.01012 39 7D-2 -0.00521 0.00289 0.06841 0.01504 0.00163 40 8D 0 -0.01616 -0.01593 0.00674 -0.01556 0.49904 41 8D+1 0.02445 -0.02500 0.00064 0.01420 0.00106 42 8D-1 0.00161 0.00519 0.00613 0.01010 -0.00070 43 8D+2 0.00447 0.01710 0.00754 -0.01719 0.00165 44 8D-2 -0.00181 0.00094 0.02312 0.00505 0.00043 45 3 Cu 1S 0.00023 0.00245 0.00065 -0.00215 -0.00173 46 2S -0.00459 0.00439 -0.00985 0.00813 -0.02083 47 3S -0.00483 0.04856 0.01379 -0.01217 -0.16486 48 4PX 0.00053 -0.00845 0.00621 -0.02159 0.02029 49 4PY -0.00270 -0.00013 0.01423 0.00414 -0.00146 50 4PZ 0.00111 0.00545 -0.00083 0.00668 0.00401 51 5PX 0.00790 0.01001 -0.00666 -0.00048 -0.06988 52 5PY 0.00065 0.00087 0.00202 0.00031 -0.00137 53 5PZ -0.00039 0.00772 0.00397 -0.00254 -0.03458 54 6PX -0.00961 0.01098 -0.01187 0.03026 0.03669 55 6PY 0.00469 -0.00471 -0.04012 -0.00522 -0.05035 56 6PZ 0.00768 -0.00047 -0.00051 -0.01086 -0.03467 57 7D 0 -0.00960 0.02403 0.00875 0.00834 -0.01803 58 7D+1 0.04893 0.01536 0.01823 -0.06591 0.01157 59 7D-1 -0.00650 0.00514 0.05496 0.00881 -0.00224 60 7D+2 -0.00866 -0.00806 0.01271 -0.01480 0.01043 61 7D-2 0.00535 0.00479 -0.03974 0.00399 -0.00653 62 8D 0 -0.00360 0.00808 0.00285 0.00210 -0.00324 63 8D+1 0.01562 0.00584 0.00595 -0.02188 0.00064 64 8D-1 -0.00222 0.00162 0.01829 0.00300 -0.00030 65 8D+2 -0.00242 -0.00278 0.00408 -0.00519 0.00296 66 8D-2 0.00173 0.00146 -0.01444 0.00104 -0.00205 67 4 Cu 1S -0.00022 -0.00047 0.00165 -0.00039 0.00297 68 2S -0.00322 -0.01472 0.00583 0.00615 0.01536 69 3S 0.00670 -0.02392 0.02239 0.00480 0.12343 70 4PX 0.00158 -0.01241 0.00894 -0.00570 0.00319 71 4PY 0.00101 -0.00197 -0.00109 -0.00496 0.00015 72 4PZ -0.00082 -0.00126 -0.01125 -0.01063 0.00255 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0.00796 0.00501 -0.00651 113 3S -0.02325 0.01444 0.02888 -0.02023 -0.00432 114 4PX -0.00491 0.00629 -0.01226 0.00670 -0.00460 115 4PY -0.00603 0.00114 -0.00176 0.00384 -0.00329 116 4PZ -0.00457 0.00125 0.01169 0.00378 -0.00863 117 5PX -0.00511 0.00525 -0.00817 0.00272 0.03362 118 5PY 0.00060 0.00971 0.00157 -0.00454 0.02745 119 5PZ 0.01348 -0.00455 0.00586 0.00453 0.06693 120 6PX -0.00418 -0.01949 0.02505 -0.02090 0.04967 121 6PY -0.00268 -0.00813 -0.00060 -0.01048 0.03388 122 6PZ -0.00052 -0.00737 -0.02956 -0.02150 0.05426 123 7D 0 -0.02939 0.00830 0.02208 0.02678 0.03224 124 7D+1 -0.02214 -0.00446 0.00276 -0.02584 -0.01573 125 7D-1 -0.03750 -0.00010 0.00346 0.00932 -0.01302 126 7D+2 0.01343 -0.02342 -0.00972 -0.00655 0.00447 127 7D-2 0.05519 -0.01653 0.01053 -0.01087 -0.02249 128 8D 0 -0.00891 0.00281 0.00832 0.00916 0.00449 129 8D+1 -0.00682 -0.00166 0.00123 -0.00867 -0.00176 130 8D-1 -0.01290 -0.00026 0.00095 0.00291 -0.00133 131 8D+2 0.00450 -0.00781 -0.00316 -0.00214 0.00098 132 8D-2 0.01720 -0.00591 0.00467 -0.00430 -0.00234 133 7 Cu 1S 0.00007 -0.00051 -0.00136 -0.00036 0.00338 134 2S -0.01455 -0.02423 -0.00173 0.00690 0.02620 135 3S 0.00304 -0.02370 -0.02111 -0.00157 0.09969 136 4PX 0.00340 -0.01038 -0.00589 -0.00327 0.00353 137 4PY -0.00101 0.00188 -0.00495 0.00561 -0.00110 138 4PZ 0.00041 0.00176 0.00965 -0.00292 0.00142 139 5PX 0.00129 -0.00349 -0.00474 0.00257 0.01849 140 5PY -0.00017 -0.00523 -0.00685 0.00276 0.00032 141 5PZ 0.00553 -0.00520 -0.00143 -0.00008 -0.00036 142 6PX 0.00586 -0.00518 -0.00836 -0.01224 -0.00048 143 6PY 0.00324 0.00580 -0.00020 0.00821 -0.00149 144 6PZ -0.00048 0.00046 0.01644 0.00117 0.01456 145 7D 0 0.00120 0.01783 -0.00219 0.02738 -0.00300 146 7D+1 0.01042 -0.04301 -0.02077 -0.05962 0.00229 147 7D-1 -0.00836 -0.00839 0.05334 0.03074 0.00070 148 7D+2 -0.00341 -0.01334 0.05048 -0.02008 0.00956 149 7D-2 0.00503 0.00828 -0.03424 0.01593 0.00530 150 8D 0 0.00089 0.00615 -0.00049 0.00891 -0.00288 151 8D+1 0.00351 -0.01465 -0.00709 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-0.00054 0.00619 -0.02801 -0.00845 0.00082 172 8D 0 0.00108 0.00503 -0.00236 0.00693 0.00151 173 8D+1 -0.00170 -0.00225 -0.00301 0.00004 -0.00373 174 8D-1 0.00232 -0.00223 -0.00098 -0.00101 0.00020 175 8D+2 -0.00558 0.00059 -0.00121 -0.00109 -0.00164 176 8D-2 -0.00005 0.00186 -0.00835 -0.00275 0.00096 177 9 C 1S -0.00432 0.00529 0.00113 -0.00361 -0.00200 178 2S 0.00734 -0.00682 -0.00740 0.00717 0.00598 179 3S 0.00811 -0.00596 0.00423 0.00190 0.01046 180 4PX 0.00251 -0.00060 -0.00328 -0.00155 -0.00264 181 4PY 0.00270 -0.01036 0.02523 -0.00674 0.00453 182 4PZ 0.00732 0.00132 -0.01070 -0.00196 -0.00357 183 5PX 0.00209 0.00142 -0.00282 0.00110 -0.01518 184 5PY 0.00140 0.00053 0.00109 -0.00017 -0.01128 185 5PZ 0.00456 -0.00025 0.00177 0.00085 -0.00948 186 10 O 1S 0.00156 0.00069 -0.00746 0.00267 0.00034 187 2S -0.00307 -0.00048 0.01386 -0.00544 -0.00080 188 3S -0.00668 -0.00159 0.02498 -0.00946 -0.00263 189 4PX -0.00032 -0.02033 0.04024 -0.01106 0.00221 190 4PY 0.00552 -0.00345 -0.02511 0.00805 -0.00180 191 4PZ -0.01077 0.00688 -0.01732 -0.00784 -0.00142 192 5PX 0.00003 -0.00850 0.01460 -0.00370 0.00584 193 5PY 0.00035 -0.00257 -0.00370 0.00115 0.00176 194 5PZ -0.00676 0.00332 -0.00878 -0.00297 0.00032 36 37 38 39 40 36 7D+1 1.49202 37 7D-1 -0.00014 1.49461 38 7D+2 -0.00380 0.00147 1.49703 39 7D-2 0.00369 0.01424 0.00547 1.49966 40 8D 0 0.00132 -0.00105 0.00153 0.00046 0.16565 41 8D+1 0.49729 -0.00063 -0.00307 0.00163 0.00018 42 8D-1 -0.00030 0.49488 0.00005 0.00360 -0.00012 43 8D+2 -0.00257 0.00043 0.49805 0.00183 -0.00006 44 8D-2 0.00143 0.00354 0.00165 0.49707 0.00013 45 3 Cu 1S 0.00375 -0.00071 0.00295 -0.00018 -0.00094 46 2S 0.03887 -0.00858 0.05925 -0.01802 -0.00775 47 3S 0.05908 -0.00249 0.29650 -0.07022 -0.05570 48 4PX -0.00865 0.00035 -0.03118 0.00759 0.00367 49 4PY 0.00087 0.00175 0.00300 0.01349 -0.00014 50 4PZ 0.01812 -0.00147 -0.00043 0.00002 0.00218 51 5PX 0.07697 -0.01307 0.13280 -0.04409 -0.02364 52 5PY -0.02305 -0.04978 -0.02833 -0.07278 -0.00071 53 5PZ -0.05864 0.00483 0.02473 -0.01886 -0.01159 54 6PX -0.01026 -0.01924 -0.07453 0.00570 0.01278 55 6PY -0.01343 -0.14389 -0.03308 -0.07523 -0.01693 56 6PZ 0.00502 -0.03124 0.04206 -0.02397 -0.01159 57 7D 0 0.01303 0.00112 0.00777 -0.00140 -0.00324 58 7D+1 0.05574 -0.00837 -0.00985 0.00248 0.00106 59 7D-1 -0.00696 -0.01836 0.00100 0.00553 -0.00052 60 7D+2 -0.00918 0.00265 -0.03594 0.01720 0.00394 61 7D-2 0.00000 -0.00846 0.01662 0.05917 -0.00245 62 8D 0 0.00241 0.00029 0.00320 -0.00083 -0.00014 63 8D+1 0.01007 -0.00196 -0.00087 -0.00043 -0.00070 64 8D-1 -0.00281 -0.00501 -0.00065 0.00189 -0.00003 65 8D+2 -0.00170 -0.00080 -0.00783 0.00341 0.00112 66 8D-2 -0.00142 -0.00609 0.00249 0.01090 -0.00078 67 4 Cu 1S 0.00209 -0.00031 -0.00055 0.00455 0.00089 68 2S 0.00387 -0.01471 -0.00874 0.03535 0.00556 69 3S 0.05514 -0.00237 0.01778 0.18921 0.04161 70 4PX -0.00015 -0.00210 -0.00146 0.00264 0.00087 71 4PY -0.00144 -0.00080 -0.00033 -0.00173 0.00056 72 4PZ -0.00076 0.00049 0.00015 -0.00326 0.00098 73 5PX 0.01799 0.01037 0.00543 0.02527 0.00849 74 5PY -0.01236 -0.00690 -0.00538 -0.01882 -0.00557 75 5PZ -0.00687 -0.00301 -0.00223 -0.00810 -0.00127 76 6PX 0.02519 0.01936 0.05536 0.00280 0.00368 77 6PY 0.02304 0.01837 0.03648 -0.00814 0.00182 78 6PZ 0.01811 -0.06264 -0.00229 -0.00031 -0.01085 79 7D 0 -0.01221 0.00701 -0.00176 -0.00239 -0.00184 80 7D+1 0.00215 -0.00393 0.00470 -0.00733 0.00011 81 7D-1 -0.00210 -0.00185 -0.00270 0.01010 -0.00115 82 7D+2 -0.00314 -0.01162 0.00296 0.00566 0.00332 83 7D-2 -0.00579 0.00157 0.01146 -0.00904 -0.00404 84 8D 0 -0.00505 0.00371 -0.00023 -0.00219 -0.00107 85 8D+1 0.00018 -0.00036 0.00194 -0.00445 0.00004 86 8D-1 0.00039 -0.00060 0.00044 0.00437 -0.00024 87 8D+2 -0.00125 -0.00357 0.00108 0.00320 0.00160 88 8D-2 -0.00303 0.00041 0.00475 -0.00640 -0.00201 89 5 Cu 1S 0.00239 0.00182 -0.00180 0.00047 -0.00173 90 2S 0.03785 0.00021 0.00278 -0.00388 -0.01174 91 3S 0.00030 0.08505 -0.06024 0.02586 -0.06976 92 4PX 0.00145 -0.00046 0.00022 -0.00043 -0.00090 93 4PY -0.00054 0.00087 0.00098 -0.00436 0.00038 94 4PZ -0.00250 -0.00082 -0.00002 -0.00021 0.00068 95 5PX 0.00632 0.01195 -0.00440 -0.00028 -0.00496 96 5PY -0.00098 -0.00319 -0.00914 -0.00316 -0.00097 97 5PZ 0.01056 -0.02744 0.02673 -0.00815 0.01170 98 6PX -0.05874 0.02528 -0.05298 0.01428 -0.01044 99 6PY -0.00736 -0.07476 -0.01719 0.02083 -0.00697 100 6PZ 0.01364 -0.00790 -0.01080 -0.00035 0.00405 101 7D 0 0.01480 0.00599 -0.00517 0.00004 -0.00368 102 7D+1 -0.00403 -0.00177 -0.00333 0.00189 0.00708 103 7D-1 -0.00258 0.00369 -0.00109 0.00733 0.00043 104 7D+2 0.00018 0.00335 0.00249 0.00086 -0.00090 105 7D-2 0.00028 -0.01041 0.00287 0.00202 -0.00250 106 8D 0 0.00787 0.00384 -0.00353 -0.00062 -0.00203 107 8D+1 -0.00165 -0.00257 -0.00105 0.00049 0.00344 108 8D-1 -0.00161 0.00115 -0.00032 0.00409 0.00005 109 8D+2 0.00156 0.00086 0.00149 -0.00075 -0.00037 110 8D-2 0.00013 -0.00478 0.00043 -0.00025 -0.00102 111 6 Cu 1S 0.00073 -0.00077 -0.00145 0.00043 -0.00008 112 2S 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0.06403 -0.00665 -0.00107 -0.02826 165 6PY -0.00598 0.00653 0.00203 -0.05768 -0.00055 166 6PZ 0.02525 -0.03925 -0.02949 0.00129 -0.03940 167 7D 0 -0.00074 0.00079 -0.00129 -0.00162 -0.00245 168 7D+1 -0.01905 -0.17530 0.00235 -0.00019 0.00263 169 7D-1 -0.00198 0.00046 0.00055 -0.00646 -0.00055 170 7D+2 0.01584 0.16757 0.00237 -0.00346 0.00389 171 7D-2 0.00535 0.04781 -0.00080 0.00398 -0.00018 172 8D 0 -0.00010 -0.00111 -0.00140 0.00019 -0.00089 173 8D+1 -0.00908 -0.06065 -0.00093 0.00042 0.00129 174 8D-1 -0.00103 -0.00016 0.00071 -0.00196 0.00020 175 8D+2 0.00763 0.05685 0.00180 -0.00139 0.00029 176 8D-2 0.00302 0.01451 -0.00126 0.00262 0.00038 177 9 C 1S 0.00781 -0.02326 -0.00213 0.00265 0.00015 178 2S -0.01557 0.06482 0.00598 -0.00635 -0.00087 179 3S -0.02674 0.06122 0.00237 -0.01058 0.00298 180 4PX -0.01854 -0.02031 -0.00448 -0.00139 -0.00201 181 4PY -0.03154 0.10968 0.00286 -0.00737 -0.00232 182 4PZ 0.02381 -0.03353 -0.00377 0.00016 -0.00682 183 5PX -0.00549 0.01165 -0.00308 0.00198 -0.00082 184 5PY -0.01894 -0.00466 -0.00509 -0.00053 0.00191 185 5PZ 0.01107 -0.00469 0.00213 -0.00224 -0.00343 186 10 O 1S -0.00161 -0.01140 0.00048 -0.00065 -0.00001 187 2S 0.00525 0.01845 -0.00107 0.00173 -0.00009 188 3S -0.00323 0.03322 -0.00314 0.00301 0.00059 189 4PX 0.02369 0.03614 0.00389 0.00191 0.00215 190 4PY 0.02230 -0.07698 -0.00091 0.00528 0.00204 191 4PZ -0.02300 0.01078 0.00331 0.00041 0.00687 192 5PX 0.01647 0.00182 0.00318 0.00034 0.00111 193 5PY 0.01108 -0.01746 0.00108 0.00184 0.00081 194 5PZ -0.01419 0.00615 0.00079 0.00126 0.00437 161 162 163 164 165 161 5PX 0.07119 162 5PY 0.00065 0.09644 163 5PZ 0.01052 -0.00317 0.08503 164 6PX 0.01311 0.00342 0.00228 0.04238 165 6PY 0.00525 0.01161 0.00010 -0.00030 0.10006 166 6PZ 0.00163 0.00125 0.01799 0.03163 -0.00136 167 7D 0 0.03954 0.01949 0.04115 0.04247 0.04561 168 7D+1 -0.01458 0.00920 -0.08008 -0.05299 0.02495 169 7D-1 0.01011 0.10654 0.02050 0.02775 0.17824 170 7D+2 -0.05934 0.02880 -0.06247 -0.08724 0.03886 171 7D-2 0.02201 -0.07918 0.00585 0.01754 -0.10033 172 8D 0 0.01256 0.00631 0.01341 0.01351 0.01564 173 8D+1 -0.00635 0.00308 -0.02549 -0.01750 0.00864 174 8D-1 0.00340 0.03496 0.00708 0.00952 0.05984 175 8D+2 -0.01831 0.00922 -0.02126 -0.02944 0.01325 176 8D-2 0.00736 -0.02582 0.00207 0.00558 -0.03243 177 9 C 1S -0.00047 -0.00336 0.00171 -0.00629 0.00142 178 2S 0.00505 0.00715 -0.00600 0.01347 -0.00208 179 3S -0.00449 0.01369 -0.00302 0.01501 0.00322 180 4PX 0.00795 0.00395 0.00456 0.00302 -0.01616 181 4PY 0.01166 0.00921 -0.00282 0.02894 -0.01444 182 4PZ 0.00139 0.00164 0.01718 -0.01616 0.01370 183 5PX 0.00909 0.00037 0.00208 0.00432 -0.00119 184 5PY -0.00220 0.00571 0.00430 0.00307 0.00113 185 5PZ 0.00319 0.00282 0.00999 -0.00136 0.00197 186 10 O 1S -0.00289 0.00514 -0.00044 -0.00270 0.00215 187 2S 0.00627 -0.01179 0.00121 0.00413 -0.00359 188 3S 0.00577 -0.01025 0.00093 0.00942 -0.00672 189 4PX -0.00972 -0.00568 -0.00552 0.01280 -0.05903 190 4PY -0.00908 -0.00686 -0.00165 -0.01949 -0.01676 191 4PZ -0.00416 -0.00349 -0.01959 -0.01498 0.03030 192 5PX -0.00830 -0.00366 -0.00292 0.00122 -0.02448 193 5PY -0.00365 -0.00370 -0.00296 -0.00565 -0.00952 194 5PZ -0.00293 -0.00294 -0.01309 -0.00616 0.01267 166 167 168 169 170 166 6PZ 0.07865 167 7D 0 0.06216 1.48762 168 7D+1 -0.12902 -0.00616 1.49906 169 7D-1 0.04899 0.00641 -0.00213 1.49914 170 7D+2 -0.11906 -0.00567 0.00144 0.00342 1.50377 171 7D-2 0.02108 -0.00135 -0.00350 -0.01032 -0.00276 172 8D 0 0.01997 0.48557 -0.00177 0.00230 -0.00205 173 8D+1 -0.04322 -0.00193 0.49121 -0.00017 -0.00038 174 8D-1 0.01664 0.00248 0.00010 0.48976 0.00053 175 8D+2 -0.03976 -0.00159 -0.00004 0.00060 0.49146 176 8D-2 0.00740 -0.00207 -0.00178 -0.00272 -0.00069 177 9 C 1S 0.00294 -0.00331 -0.00008 -0.00289 -0.00456 178 2S -0.00666 0.00970 0.00183 0.00431 0.00796 179 3S -0.00973 -0.00702 -0.00777 0.03729 0.03836 180 4PX 0.00231 0.00745 0.00763 0.00276 -0.00887 181 4PY -0.01258 0.01437 0.00529 0.00695 0.00381 182 4PZ -0.00029 -0.00247 -0.01380 0.00013 -0.00302 183 5PX 0.00034 -0.00494 0.00338 0.00047 -0.01222 184 5PY -0.00054 -0.01448 -0.00385 0.01056 0.00051 185 5PZ 0.00415 0.00141 -0.00485 0.00682 0.00038 186 10 O 1S 0.00069 0.00066 -0.00032 0.00062 0.00127 187 2S -0.00093 -0.00164 0.00090 -0.00140 -0.00311 188 3S -0.00283 -0.00319 0.00270 -0.00550 -0.00953 189 4PX 0.00104 -0.00879 -0.00827 -0.00276 0.00626 190 4PY 0.00731 -0.00983 -0.00168 -0.00548 -0.00488 191 4PZ -0.03005 0.00192 0.01079 0.00154 0.00294 192 5PX 0.00152 -0.00217 -0.00360 -0.00143 0.00653 193 5PY 0.00169 -0.00158 -0.00196 -0.00644 -0.00105 194 5PZ -0.01480 0.00034 0.00741 -0.00175 0.00145 171 172 173 174 175 171 7D-2 1.48965 172 8D 0 -0.00192 0.15870 173 8D+1 -0.00195 -0.00054 0.16120 174 8D-1 -0.00238 0.00087 0.00022 0.16020 175 8D+2 -0.00019 -0.00057 -0.00034 0.00001 0.16085 176 8D-2 0.48414 -0.00117 -0.00087 -0.00055 0.00002 177 9 C 1S -0.00319 -0.00123 -0.00035 -0.00064 -0.00097 178 2S 0.01203 0.00307 0.00091 0.00079 0.00164 179 3S -0.03751 -0.00248 -0.00181 0.01192 0.01147 180 4PX 0.00278 0.00255 0.00251 0.00107 -0.00360 181 4PY 0.01303 0.00469 0.00203 0.00272 0.00073 182 4PZ -0.00954 -0.00019 -0.00537 0.00033 -0.00109 183 5PX 0.00095 -0.00182 0.00104 0.00033 -0.00423 184 5PY -0.02327 -0.00488 -0.00116 0.00341 -0.00031 185 5PZ 0.01621 0.00067 -0.00185 0.00249 0.00016 186 10 O 1S 0.00069 0.00020 -0.00033 0.00016 0.00058 187 2S -0.00183 -0.00046 0.00073 -0.00037 -0.00130 188 3S -0.00172 -0.00100 0.00125 -0.00150 -0.00316 189 4PX -0.00454 -0.00319 -0.00275 -0.00067 0.00262 190 4PY -0.00748 -0.00323 -0.00097 -0.00251 -0.00157 191 4PZ 0.00863 0.00002 0.00414 0.00062 0.00095 192 5PX -0.00185 -0.00078 -0.00116 -0.00052 0.00244 193 5PY 0.00254 -0.00053 -0.00086 -0.00231 -0.00005 194 5PZ -0.00076 -0.00026 0.00284 -0.00064 0.00048 176 177 178 179 180 176 8D-2 0.15754 177 9 C 1S -0.00143 2.09473 178 2S 0.00415 -0.19932 0.51448 179 3S -0.01254 -0.20369 0.39528 0.43898 180 4PX 0.00056 0.02365 -0.03497 -0.13571 0.41845 181 4PY 0.00354 -0.04796 0.07179 0.27434 -0.13524 182 4PZ -0.00278 0.00605 -0.00930 -0.03433 0.01685 183 5PX -0.00006 0.02133 -0.03927 -0.03190 0.04960 184 5PY -0.00777 -0.04319 0.08076 0.06558 0.02584 185 5PZ 0.00567 0.00539 -0.01034 -0.00850 -0.00287 186 10 O 1S 0.00029 0.01210 -0.01195 0.04416 -0.03217 187 2S -0.00064 -0.01940 0.01140 -0.10198 0.07949 188 3S -0.00081 0.01806 -0.09352 -0.10860 -0.01129 189 4PX -0.00149 0.04822 -0.12377 -0.00216 0.26440 190 4PY -0.00134 -0.09750 0.25075 -0.00047 0.41607 191 4PZ 0.00274 0.01208 -0.03117 0.00143 -0.05199 192 5PX -0.00039 0.00716 -0.01834 -0.00098 0.12072 193 5PY 0.00123 -0.01457 0.03712 -0.00012 0.10046 194 5PZ -0.00039 0.00180 -0.00456 0.00067 -0.01260 181 182 183 184 185 181 4PY 0.62471 182 4PZ -0.03411 0.35570 183 5PX 0.02625 -0.00303 0.01815 184 5PY 0.01047 0.00655 -0.00337 0.02360 185 5PZ 0.00632 0.06207 0.00058 -0.00088 0.01683 186 10 O 1S 0.06501 -0.00808 0.00268 -0.00557 0.00072 187 2S -0.16083 0.02005 -0.00060 0.00135 -0.00018 188 3S 0.02289 -0.00287 0.00899 -0.01789 0.00214 189 4PX 0.41594 -0.05193 0.06288 -0.00347 0.00050 190 4PY -0.37175 0.10489 -0.00303 0.06681 -0.00039 191 4PZ 0.10498 0.45684 0.00039 -0.00028 0.06128 192 5PX 0.10060 -0.01262 0.01686 0.00310 -0.00038 193 5PY -0.03285 0.02532 0.00335 0.01147 0.00093 194 5PZ 0.02532 0.16721 -0.00047 0.00105 0.01825 186 187 188 189 190 186 10 O 1S 2.11860 187 2S -0.25906 0.60431 188 3S -0.24866 0.52376 0.54195 189 4PX -0.01711 0.02966 0.14147 0.84303 190 4PY 0.03465 -0.06026 -0.28561 -0.00631 0.85251 191 4PZ -0.00431 0.00752 0.03541 0.00090 -0.00159 192 5PX -0.01512 0.03627 0.05101 0.29780 0.06727 193 5PY 0.03056 -0.07338 -0.10271 0.06785 0.19463 194 5PZ -0.00378 0.00910 0.01266 -0.00844 0.01706 191 192 193 194 191 4PZ 0.84016 192 5PX -0.00827 0.11506 193 5PY 0.01685 0.03712 0.05859 194 5PZ 0.32913 -0.00457 0.00927 0.13234 Full Mulliken population analysis: 1 2 3 4 5 1 1 Cu 1S 2.00808 2 2S -0.00291 0.30095 3 3S 0.00794 0.04018 0.67392 4 4PX 0.00000 0.00000 0.00000 1.99698 5 4PY 0.00000 0.00000 0.00000 0.00000 1.99608 6 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 7 5PX 0.00000 0.00000 0.00000 0.00399 0.00000 8 5PY 0.00000 0.00000 0.00000 0.00000 0.00630 9 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 6PX 0.00000 0.00000 0.00000 -0.00112 0.00000 11 6PY 0.00000 0.00000 0.00000 0.00000 -0.00060 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 -0.00029 -0.00049 0.00000 0.00000 24 2S -0.00025 0.03806 -0.03822 -0.00044 -0.00030 25 3S -0.00087 0.03206 -0.11590 -0.00012 -0.00020 26 4PX 0.00000 -0.00023 -0.00027 0.00000 0.00000 27 4PY 0.00000 -0.00006 -0.00023 0.00000 0.00000 28 4PZ 0.00000 -0.00038 -0.00102 0.00000 0.00000 29 5PX -0.00015 0.00465 -0.00707 0.00000 -0.00002 30 5PY -0.00012 0.00322 -0.00376 0.00007 0.00001 31 5PZ -0.00024 0.01109 -0.00829 0.00003 -0.00025 32 6PX -0.00018 0.00018 -0.01020 0.00013 -0.00003 33 6PY 0.00004 -0.00260 0.00055 0.00005 0.00006 34 6PZ -0.00014 -0.00024 -0.01909 0.00010 0.00004 35 7D 0 0.00000 0.00010 0.00012 0.00000 0.00000 36 7D+1 0.00000 0.00026 0.00048 0.00000 0.00000 37 7D-1 0.00000 0.00040 0.00036 0.00000 0.00000 38 7D+2 0.00000 -0.00001 0.00001 0.00000 0.00000 39 7D-2 0.00000 0.00009 0.00017 0.00000 0.00000 40 8D 0 0.00001 0.00037 0.00058 -0.00005 -0.00003 41 8D+1 0.00002 0.00122 0.00239 0.00001 -0.00005 42 8D-1 0.00002 0.00152 0.00176 -0.00007 0.00001 43 8D+2 0.00000 -0.00004 0.00003 -0.00001 -0.00001 44 8D-2 0.00001 0.00035 0.00080 0.00000 0.00000 45 3 Cu 1S 0.00000 -0.00043 0.00017 0.00000 0.00000 46 2S -0.00043 0.01919 -0.03635 -0.00019 -0.00004 47 3S 0.00017 -0.03646 0.01191 -0.00022 -0.00015 48 4PX 0.00000 -0.00031 0.00004 0.00000 0.00000 49 4PY 0.00000 -0.00021 0.00006 0.00000 0.00000 50 4PZ 0.00000 -0.00060 -0.00052 0.00000 0.00000 51 5PX -0.00011 0.00736 -0.00218 -0.00004 -0.00013 52 5PY -0.00007 0.00664 -0.00118 -0.00011 -0.00009 53 5PZ -0.00039 0.00788 -0.00516 -0.00033 -0.00017 54 6PX -0.00005 -0.00288 -0.01107 0.00027 0.00004 55 6PY -0.00005 0.00138 -0.00777 0.00005 0.00011 56 6PZ 0.00009 -0.00858 -0.00270 0.00004 -0.00003 57 7D 0 0.00000 0.00008 0.00023 0.00000 0.00000 58 7D+1 0.00000 0.00031 0.00054 0.00000 0.00000 59 7D-1 0.00000 0.00014 0.00031 0.00000 0.00000 60 7D+2 0.00000 -0.00002 0.00001 0.00000 0.00000 61 7D-2 0.00000 0.00017 0.00011 0.00000 0.00000 62 8D 0 -0.00001 0.00030 0.00112 -0.00006 -0.00003 63 8D+1 0.00000 0.00116 0.00270 0.00000 -0.00003 64 8D-1 0.00000 0.00049 0.00152 -0.00003 0.00000 65 8D+2 0.00000 -0.00009 0.00005 0.00000 -0.00001 66 8D-2 0.00001 0.00067 0.00052 0.00000 0.00000 67 4 Cu 1S 0.00000 -0.00026 -0.00036 0.00000 0.00000 68 2S -0.00020 0.03369 -0.00504 -0.00108 -0.00039 69 3S -0.00090 0.02445 -0.12314 -0.00047 -0.00004 70 4PX 0.00000 -0.00039 -0.00121 0.00000 0.00000 71 4PY 0.00000 -0.00017 -0.00012 0.00000 0.00000 72 4PZ 0.00000 -0.00005 -0.00019 0.00000 0.00000 73 5PX -0.00035 0.01091 -0.01357 -0.00018 0.00012 74 5PY -0.00013 0.00243 -0.00668 -0.00010 -0.00002 75 5PZ -0.00005 0.00159 -0.00160 -0.00012 0.00003 76 6PX -0.00010 0.00066 -0.01829 -0.00004 0.00011 77 6PY -0.00018 0.00196 -0.01640 -0.00005 0.00012 78 6PZ 0.00000 -0.00007 -0.00161 0.00006 0.00002 79 7D 0 0.00000 0.00011 0.00013 0.00000 0.00000 80 7D+1 0.00000 0.00026 0.00022 0.00000 0.00000 81 7D-1 0.00000 0.00003 0.00007 0.00000 0.00000 82 7D+2 0.00000 0.00024 0.00020 0.00000 0.00000 83 7D-2 0.00000 0.00020 0.00048 0.00000 0.00000 84 8D 0 0.00000 0.00047 0.00066 -0.00001 -0.00001 85 8D+1 0.00002 0.00100 0.00105 -0.00005 -0.00003 86 8D-1 0.00000 0.00012 0.00034 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0.84016 192 5PX 0.00000 0.11506 193 5PY 0.00000 0.00000 0.05859 194 5PZ 0.16654 0.00000 0.00000 0.13234 Gross orbital populations: 1 1 1 Cu 1S 2.00381 2 2S 0.61604 3 3S -0.16010 4 4PX 1.99484 5 4PY 1.99460 6 4PZ 1.99499 7 5PX 0.18654 8 5PY 0.14120 9 5PZ 0.19873 10 6PX 0.02120 11 6PY -0.00534 12 6PZ 0.02080 13 7D 0 1.63577 14 7D+1 1.64118 15 7D-1 1.65226 16 7D+2 1.64580 17 7D-2 1.64905 18 8D 0 0.31997 19 8D+1 0.31944 20 8D-1 0.31639 21 8D+2 0.31517 22 8D-2 0.31783 23 2 Cu 1S 2.00550 24 2S 0.71730 25 3S 0.40302 26 4PX 1.99434 27 4PY 1.99462 28 4PZ 1.99458 29 5PX 0.07143 30 5PY 0.05211 31 5PZ 0.06117 32 6PX 0.03498 33 6PY -0.02081 34 6PZ 0.00949 35 7D 0 1.65570 36 7D+1 1.64322 37 7D-1 1.64546 38 7D+2 1.64827 39 7D-2 1.65051 40 8D 0 0.32300 41 8D+1 0.32592 42 8D-1 0.32366 43 8D+2 0.32495 44 8D-2 0.32297 45 3 Cu 1S 2.00381 46 2S 0.61588 47 3S -0.16044 48 4PX 1.99510 49 4PY 1.99516 50 4PZ 1.99417 51 5PX 0.21224 52 5PY 0.22348 53 5PZ 0.09061 54 6PX 0.01873 55 6PY 0.01358 56 6PZ 0.00414 57 7D 0 1.64857 58 7D+1 1.64563 59 7D-1 1.65456 60 7D+2 1.64077 61 7D-2 1.63452 62 8D 0 0.31786 63 8D+1 0.31729 64 8D-1 0.31419 65 8D+2 0.31923 66 8D-2 0.32018 67 4 Cu 1S 2.00554 68 2S 0.75580 69 3S 0.33815 70 4PX 1.99471 71 4PY 1.99441 72 4PZ 1.99484 73 5PX 0.05101 74 5PY 0.06215 75 5PZ 0.04658 76 6PX 0.00982 77 6PY 0.04980 78 6PZ -0.00590 79 7D 0 1.65740 80 7D+1 1.65403 81 7D-1 1.63738 82 7D+2 1.63961 83 7D-2 1.64597 84 8D 0 0.32215 85 8D+1 0.32208 86 8D-1 0.32423 87 8D+2 0.32444 88 8D-2 0.32420 89 5 Cu 1S 2.00550 90 2S 0.71691 91 3S 0.40413 92 4PX 1.99477 93 4PY 1.99466 94 4PZ 1.99409 95 5PX 0.05595 96 5PY 0.05348 97 5PZ 0.07642 98 6PX -0.00834 99 6PY -0.01779 100 6PZ 0.04978 101 7D 0 1.64491 102 7D+1 1.64613 103 7D-1 1.63760 104 7D+2 1.65370 105 7D-2 1.66094 106 8D 0 0.32576 107 8D+1 0.32468 108 8D-1 0.32519 109 8D+2 0.32304 110 8D-2 0.32209 111 6 Cu 1S 1.99709 112 2S 0.59964 113 3S -0.31605 114 4PX 1.99539 115 4PY 1.99578 116 4PZ 1.99528 117 5PX 0.30422 118 5PY 0.35252 119 5PZ 0.28722 120 6PX -0.03053 121 6PY 0.05105 122 6PZ -0.05948 123 7D 0 1.66072 124 7D+1 1.65414 125 7D-1 1.61263 126 7D+2 1.61151 127 7D-2 1.63093 128 8D 0 0.30129 129 8D+1 0.30470 130 8D-1 0.31079 131 8D+2 0.30863 132 8D-2 0.30307 133 7 Cu 1S 2.00550 134 2S 0.71704 135 3S 0.40399 136 4PX 1.99437 137 4PY 1.99447 138 4PZ 1.99469 139 5PX 0.06226 140 5PY 0.06493 141 5PZ 0.05865 142 6PX 0.00967 143 6PY 0.01236 144 6PZ 0.00189 145 7D 0 1.65678 146 7D+1 1.65010 147 7D-1 1.64091 148 7D+2 1.64210 149 7D-2 1.65335 150 8D 0 0.32301 151 8D+1 0.32337 152 8D-1 0.32565 153 8D+2 0.32414 154 8D-2 0.32448 155 8 Cu 1S 2.00381 156 2S 0.61592 157 3S -0.15960 158 4PX 1.99434 159 4PY 1.99521 160 4PZ 1.99486 161 5PX 0.10958 162 5PY 0.23450 163 5PZ 0.18205 164 6PX -0.00010 165 6PY 0.01879 166 6PZ 0.01871 167 7D 0 1.63662 168 7D+1 1.64836 169 7D-1 1.64805 170 7D+2 1.65285 171 7D-2 1.63831 172 8D 0 0.31959 173 8D+1 0.31766 174 8D-1 0.31759 175 8D+2 0.31674 176 8D-2 0.31733 177 9 C 1S 1.99857 178 2S 0.89018 179 3S 0.67619 180 4PX 0.63220 181 4PY 0.88275 182 4PZ 0.55566 183 5PX 0.08447 184 5PY 0.05243 185 5PZ 0.09488 186 10 O 1S 1.99922 187 2S 0.99039 188 3S 0.83846 189 4PX 1.11227 190 4PY 1.16527 191 4PZ 1.09618 192 5PX 0.33195 193 5PY 0.19808 194 5PZ 0.37266 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.344282 -0.106738 -0.018061 -0.092097 -0.107864 -0.229591 2 Cu -0.106738 19.122406 -0.107296 0.080459 0.088000 -0.028280 3 Cu -0.018061 -0.107296 19.345302 -0.092409 0.037702 -0.230403 4 Cu -0.092097 0.080459 -0.092409 19.071724 0.081462 0.115049 5 Cu -0.107864 0.088000 0.037702 0.081462 19.127066 -0.029846 6 Cu -0.229591 -0.028280 -0.230403 0.115049 -0.029846 19.343004 7 Cu 0.038277 0.087928 -0.107388 0.081281 0.089273 -0.030461 8 Cu -0.018829 0.040486 -0.019159 -0.093375 -0.107139 -0.226030 9 C 0.011807 0.012286 0.011963 -0.003751 0.013809 0.144920 10 O -0.001060 -0.007835 -0.001006 0.000039 -0.008856 0.042183 7 8 9 10 1 Cu 0.038277 -0.018829 0.011807 -0.001060 2 Cu 0.087928 0.040486 0.012286 -0.007835 3 Cu -0.107388 -0.019159 0.011963 -0.001006 4 Cu 0.081281 -0.093375 -0.003751 0.000039 5 Cu 0.089273 -0.107139 0.013809 -0.008856 6 Cu -0.030461 -0.226030 0.144920 0.042183 7 Cu 19.125964 -0.106024 0.013647 -0.008813 8 Cu -0.106024 19.341994 0.010882 -0.001631 9 C 0.013647 0.010882 5.093968 0.557800 10 O -0.008813 -0.001631 0.557800 7.533667 Mulliken atomic charges: 1 1 Cu 0.179875 2 Cu -0.181417 3 Cu 0.180754 4 Cu -0.148383 5 Cu -0.183607 6 Cu 0.129454 7 Cu -0.183683 8 Cu 0.178826 9 C 0.132669 10 O -0.104488 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.179875 2 Cu -0.181417 3 Cu 0.180754 4 Cu -0.148383 5 Cu -0.183607 6 Cu 0.129454 7 Cu -0.183683 8 Cu 0.178826 9 C 0.132669 10 O -0.104488 Sum of Mulliken charges= 0.00000 Electronic spatial extent (au): = 3720.8599 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2562 Y= -0.4452 Z= 0.0340 Tot= 0.5148 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.5008 YY= -117.4977 ZZ= -111.8945 XY= 3.0648 XZ= -0.2865 YZ= 0.5096 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.7968 YY= -3.2000 ZZ= 2.4032 XY= 3.0648 XZ= -0.2865 YZ= 0.5096 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 14.6453 YYY= 202.4697 ZZZ= -86.6597 XYY= -16.5574 XXY= 61.7604 XXZ= -40.7662 XZZ= 8.2942 YZZ= 54.9075 YYZ= -40.1050 XYZ= -0.6117 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1302.1828 YYYY= -2272.4145 ZZZZ= -1085.1790 XXXY= 245.0011 XXXZ= -41.1790 YYYX= 309.7154 YYYZ= 135.9485 ZZZX= -10.3628 ZZZY= 78.0816 XXYY= -592.6098 XXZZ= -403.8489 YYZZ= -550.5072 XXYZ= 45.9960 YYXZ= -6.3399 ZZXY= 75.2479 N-N= 2.113973078327D+03 E-N=-8.338225956280D+03 KE= 1.132179389002D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.27107 29.12426 2 O -10.35227 15.96894 3 O -4.34299 2.68614 4 O -4.30025 2.68355 5 O -4.30001 2.68883 6 O -4.29993 2.68870 7 O -4.28373 2.68764 8 O -4.28371 2.68764 9 O -4.28369 2.68764 10 O -4.27254 2.68790 11 O -2.85377 5.08049 12 O -2.84689 5.08663 13 O -2.84687 5.08658 14 O -2.80872 5.06569 15 O -2.80813 5.07557 16 O -2.80810 5.07563 17 O -2.80714 5.09506 18 O -2.80696 5.09467 19 O -2.80692 5.09478 20 O -2.80660 5.08070 21 O -2.80629 5.08935 22 O -2.80621 5.08900 23 O -2.79291 5.08592 24 O -2.79289 5.08588 25 O -2.79286 5.08581 26 O -2.79016 5.08811 27 O -2.79012 5.08850 28 O -2.79010 5.08873 29 O -2.79008 5.08989 30 O -2.79004 5.08984 31 O -2.79004 5.08983 32 O -2.78193 5.08612 33 O -2.77856 5.08973 34 O -2.77855 5.08973 35 O -1.18802 2.85783 36 O -0.58676 2.51737 37 O -0.48336 2.02953 38 O -0.48334 2.02787 39 O -0.47414 2.37083 40 O -0.35853 1.76158 41 O -0.33647 7.86310 42 O -0.33633 7.86381 43 O -0.32447 8.77415 44 O -0.32440 7.31762 45 O -0.32426 8.56687 46 O -0.32136 7.66051 47 O -0.30924 7.84676 48 O -0.30751 8.35636 49 O -0.30749 8.35600 50 O -0.29897 8.69999 51 O -0.29892 8.70045 52 O -0.29362 8.51017 53 O -0.29056 8.92751 54 O -0.28583 8.73991 55 O -0.28574 8.74269 56 O -0.28481 8.74987 57 O -0.28474 8.74717 58 O -0.27424 9.14704 59 O -0.27422 9.14757 60 O -0.26738 9.16041 61 O -0.26520 9.11748 62 O -0.26518 9.11681 63 O -0.26387 8.89792 64 O -0.26252 9.14259 65 O -0.26249 9.14290 66 O -0.26123 8.72777 67 O -0.25853 9.28079 68 O -0.25851 9.28219 69 O -0.25772 9.43453 70 O -0.25770 9.43406 71 O -0.25685 9.65059 72 O -0.25263 9.41741 73 O -0.25261 9.42373 74 O -0.25256 9.33046 75 O -0.24848 9.40488 76 O -0.24847 9.40616 77 O -0.24816 9.23096 78 O -0.24644 9.73767 79 O -0.24335 9.53417 80 O -0.24332 9.53373 81 O -0.20300 2.64646 82 O -0.20297 2.64641 83 O -0.18695 2.44352 84 V -0.08621 1.93752 85 V -0.08602 1.94010 86 V -0.07931 0.87641 87 V -0.07077 0.95271 88 V -0.07059 0.95097 89 V -0.04250 1.06584 90 V -0.03085 0.89952 91 V -0.03080 0.89484 92 V -0.00554 0.62261 93 V -0.00551 0.62226 94 V -0.00482 0.47302 95 V 0.01920 0.34171 96 V 0.02286 0.44256 97 V 0.02805 0.44503 98 V 0.02824 0.44206 99 V 0.03041 0.49094 100 V 0.03891 0.43896 101 V 0.04219 0.40153 102 V 0.04223 0.40249 103 V 0.04459 0.35564 104 V 0.04469 0.35576 105 V 0.04949 0.37676 106 V 0.04951 0.37830 107 V 0.06113 0.47113 108 V 0.06808 0.48734 109 V 0.07005 0.47717 110 V 0.07009 0.47410 111 V 0.08091 0.28975 112 V 0.08096 0.28937 113 V 0.08225 0.37718 114 V 0.08552 0.23649 115 V 0.08571 0.22835 116 V 0.08574 0.22715 117 V 0.10489 0.58445 118 V 0.10510 0.58752 119 V 0.10590 0.51866 120 V 0.10815 0.84583 121 V 0.11878 0.31646 122 V 0.11897 0.31767 123 V 0.15521 0.89548 124 V 0.15528 0.89592 125 V 0.19959 1.24340 126 V 0.21406 0.98612 127 V 0.22796 1.45869 128 V 0.22849 1.45952 129 V 0.24393 1.23338 130 V 0.24889 1.29075 131 V 0.24967 1.29993 132 V 0.25848 1.32737 133 V 0.28898 1.23767 134 V 0.28962 1.23594 135 V 0.30379 1.71916 136 V 0.32174 1.51632 137 V 0.32179 1.51538 138 V 0.34654 1.80633 139 V 0.39683 1.43104 140 V 0.39915 1.42639 141 V 0.53552 2.72314 142 V 0.64085 3.57759 143 V 0.65956 3.95868 144 V 0.65983 3.95017 145 V 0.67474 4.22332 146 V 0.67492 4.21729 147 V 0.67928 3.53495 148 V 0.69818 4.05885 149 V 0.70934 3.81885 150 V 0.70994 3.82935 151 V 0.74882 3.69213 152 V 0.75149 3.73355 153 V 0.79121 4.63608 154 V 0.79637 4.19380 155 V 0.79680 4.15346 156 V 0.83493 3.32162 157 V 0.85988 4.31797 158 V 0.86012 4.30090 159 V 0.86420 4.42701 160 V 0.86920 4.32735 161 V 0.87114 4.33473 162 V 0.88266 4.55862 163 V 0.88391 4.55068 164 V 0.89055 4.03316 165 V 0.93551 3.94516 166 V 0.99734 4.00765 167 V 1.05829 4.52815 168 V 1.05855 4.53036 169 V 1.06013 4.56329 170 V 1.06017 4.56559 171 V 1.08670 4.44225 172 V 1.17078 4.14980 173 V 1.17960 4.26707 174 V 1.17974 4.26739 175 V 1.23148 4.66274 176 V 1.23322 4.66604 177 V 1.28210 4.66821 178 V 1.31034 4.62841 179 V 1.31070 4.62700 180 V 1.31675 4.68109 181 V 1.31710 4.68122 182 V 1.32180 4.63600 183 V 1.33010 4.66500 184 V 1.33086 4.66563 185 V 1.35457 4.81882 186 V 1.52251 2.35411 187 V 1.64190 3.76710 188 V 1.83993 1.96639 189 V 1.84176 1.96483 190 V 2.01987 1.86647 191 V 2.30405 1.36982 192 V 2.31087 1.37849 193 V 3.67490 1.42133 194 V 11.94035 3.23449 Total kinetic energy from orbitals= 1.132179389002D+03 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:23:40 2008, MaxMem= 1258291200 cpu: 2.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l9999.exe) 1\1\GINC-CO-COMPUTE2\FOpt\RB3LYP\LANL2DZ\C1Cu8O1\ZNAMESKI\11-Apr-2008\ 0\\#P B3LYP/LANL2DZ Opt nosymm Pop=Full Freq(Raman) Geom=AllCheck\\Cu8 CO06\\0,1\Cu,0.665733967,0.9479351623,0.8144097511\Cu,1.9483550331,-0. 0887957846,-1.0385001055\Cu,-0.5167589647,0.1165030678,-1.2208968847\C u,-1.4324835961,2.0892391749,0.0341547433\Cu,0.2734834572,-0.633899333 1,2.6824010251\Cu,0.5870716462,-1.6583539104,0.3938220466\Cu,-1.674013 2284,-2.0067969166,-0.6717510542\Cu,-1.5328954898,-0.2114089828,1.0356 29135\C,1.464674604,-3.3526686263,0.5874204776\O,1.9797832609,-4.39489 7831,0.7172572861\\Version=IA64L-G03RevE.01\HF=-1682.750308\RMSD=6.391 e-09\RMSF=5.733e-05\Thermal=0.\Dipole=0.100786,-0.1751701,0.0133859\PG =C01 [X(C1Cu8O1)]\\@ ARSENIC FOR SMELTER FUMES HAVE I BEEN NAMED, I AM AN EVIL POISONOUS SMOKE... BUT WHEN FROM POISON I AM FREED, THROUGH ART AND SLEIGHT OF HAND, THEN CAN I CURE BOTH MAN AND BEAST, FROM DIRE DISEASE OFTTIMES DIRECT THEM; BUT PREPARE ME CORRECTLY, AND TAKE GREAT CARE THAT YOU FAITHFULLY KEEP WATCHFUL GUARD OVER ME; FOR ELSE I AM POISON, AND POISON REMAIN, THAT PIERCES THE HEART OF MANY A ONE. ATTRIBUTED TO THE PROBABLY MYTHICAL 15TH CENTURY MONK, BASILIUS VALENTINUS Leave Link 9999 at Fri Apr 11 14:23:40 2008, MaxMem= 1258291200 cpu: 0.1 Job cpu time: 0 days 0 hours 1 minutes 44.6 seconds. File lengths (MBytes): RWF= 29 Int= 0 D2E= 0 Chk= 16 Scr= 1 Normal termination of Gaussian 03 at Fri Apr 11 14:23:40 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 14:23:41 2008, MaxMem= 1258291200 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l101.exe) ------- Cu8CO06 ------- Redundant internal coordinates taken from checkpoint file: Cu8CO06.chk Charge = 0 Multiplicity = 1 Cu,0,0.665733967,0.9479351623,0.8144097511 Cu,0,1.9483550331,-0.0887957846,-1.0385001055 Cu,0,-0.5167589647,0.1165030678,-1.2208968847 Cu,0,-1.4324835961,2.0892391749,0.0341547433 Cu,0,0.2734834572,-0.6338993331,2.6824010251 Cu,0,0.5870716462,-1.6583539104,0.3938220466 Cu,0,-1.6740132284,-2.0067969166,-0.6717510542 Cu,0,-1.5328954898,-0.2114089828,1.035629135 C,0,1.464674604,-3.3526686263,0.5874204776 O,0,1.9797832609,-4.394897831,0.7172572861 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 14:23:41 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) 2.4806 calculate D2E/DX2 analytically ! ! R2 R(1,4) 2.5127 calculate D2E/DX2 analytically ! ! R3 R(1,5) 2.479 calculate D2E/DX2 analytically ! ! R4 R(2,3) 2.4804 calculate D2E/DX2 analytically ! ! R5 R(2,6) 2.5235 calculate D2E/DX2 analytically ! ! R6 R(3,4) 2.5111 calculate D2E/DX2 analytically ! ! R7 R(3,7) 2.4798 calculate D2E/DX2 analytically ! ! R8 R(4,8) 2.5112 calculate D2E/DX2 analytically ! ! R9 R(5,6) 2.5269 calculate D2E/DX2 analytically ! ! R10 R(5,8) 2.4806 calculate D2E/DX2 analytically ! ! R11 R(5,9) 3.6331 calculate D2E/DX2 analytically ! ! R12 R(6,7) 2.5238 calculate D2E/DX2 analytically ! ! R13 R(6,9) 1.9179 calculate D2E/DX2 analytically ! ! R14 R(7,8) 2.4816 calculate D2E/DX2 analytically ! ! R15 R(7,9) 3.6398 calculate D2E/DX2 analytically ! ! R16 R(8,9) 4.3651 calculate D2E/DX2 analytically ! ! R17 R(9,10) 1.1698 calculate D2E/DX2 analytically ! ! A1 A(2,1,4) 112.9327 calculate D2E/DX2 analytically ! ! A2 A(2,1,5) 112.2093 calculate D2E/DX2 analytically ! ! A3 A(4,1,5) 113.0593 calculate D2E/DX2 analytically ! ! A4 A(1,2,3) 60.4257 calculate D2E/DX2 analytically ! ! A5 A(1,2,6) 63.7077 calculate D2E/DX2 analytically ! ! A6 A(3,2,6) 63.7107 calculate D2E/DX2 analytically ! ! A7 A(2,3,4) 112.9985 calculate D2E/DX2 analytically ! ! A8 A(2,3,7) 112.1266 calculate D2E/DX2 analytically ! ! A9 A(4,3,7) 113.0677 calculate D2E/DX2 analytically ! ! A10 A(1,4,3) 59.5923 calculate D2E/DX2 analytically ! ! A11 A(1,4,8) 59.5641 calculate D2E/DX2 analytically ! ! A12 A(3,4,8) 59.6124 calculate D2E/DX2 analytically ! ! A13 A(1,5,6) 63.6796 calculate D2E/DX2 analytically ! ! A14 A(1,5,8) 60.4165 calculate D2E/DX2 analytically ! ! A15 A(1,5,9) 89.491 calculate D2E/DX2 analytically ! ! A16 A(6,5,8) 63.7798 calculate D2E/DX2 analytically ! ! A17 A(2,6,5) 109.1982 calculate D2E/DX2 analytically ! ! A18 A(2,6,7) 109.2397 calculate D2E/DX2 analytically ! ! A19 A(2,6,9) 111.0951 calculate D2E/DX2 analytically ! ! A20 A(5,6,7) 109.0978 calculate D2E/DX2 analytically ! ! A21 A(3,7,6) 63.7157 calculate D2E/DX2 analytically ! ! A22 A(3,7,8) 60.4191 calculate D2E/DX2 analytically ! ! A23 A(3,7,9) 89.4725 calculate D2E/DX2 analytically ! ! A24 A(6,7,8) 63.8118 calculate D2E/DX2 analytically ! ! A25 A(4,8,5) 113.0587 calculate D2E/DX2 analytically ! ! A26 A(4,8,7) 112.9987 calculate D2E/DX2 analytically ! ! A27 A(4,8,9) 126.2205 calculate D2E/DX2 analytically ! ! A28 A(5,8,7) 112.02 calculate D2E/DX2 analytically ! ! A29 A(5,9,7) 68.9028 calculate D2E/DX2 analytically ! ! A30 A(5,9,10) 138.3391 calculate D2E/DX2 analytically ! ! A31 A(6,9,8) 20.0146 calculate D2E/DX2 analytically ! ! A32 A(6,9,10) 178.7778 calculate D2E/DX2 analytically ! ! A33 A(7,9,10) 138.3785 calculate D2E/DX2 analytically ! ! A34 A(8,9,10) 158.7721 calculate D2E/DX2 analytically ! ! A35 L(1,5,9,2,-1) 90.1627 calculate D2E/DX2 analytically ! ! A36 L(2,6,9,1,-1) 204.7114 calculate D2E/DX2 analytically ! ! A37 L(3,7,9,2,-1) 90.1699 calculate D2E/DX2 analytically ! ! A38 L(4,8,9,1,-1) 134.0001 calculate D2E/DX2 analytically ! ! A39 L(1,5,9,2,-2) 192.9085 calculate D2E/DX2 analytically ! ! A40 L(2,6,9,1,-2) 281.9848 calculate D2E/DX2 analytically ! ! A41 L(3,7,9,2,-2) 166.8492 calculate D2E/DX2 analytically ! ! A42 L(4,8,9,1,-2) 208.8947 calculate D2E/DX2 analytically ! ! D1 D(4,1,2,3) -29.3722 calculate D2E/DX2 analytically ! ! D2 D(4,1,2,6) -102.6556 calculate D2E/DX2 analytically ! ! D3 D(5,1,2,3) 99.8345 calculate D2E/DX2 analytically ! ! D4 D(5,1,2,6) 26.5511 calculate D2E/DX2 analytically ! ! D5 D(2,1,4,3) 29.2467 calculate D2E/DX2 analytically ! ! D6 D(2,1,4,8) 99.6464 calculate D2E/DX2 analytically ! ! D7 D(5,1,4,3) -99.5222 calculate D2E/DX2 analytically ! ! D8 D(5,1,4,8) -29.1224 calculate D2E/DX2 analytically ! ! D9 D(2,1,5,6) -26.5193 calculate D2E/DX2 analytically ! ! D10 D(2,1,5,8) -99.9012 calculate D2E/DX2 analytically ! ! D11 D(2,1,5,9) -10.7057 calculate D2E/DX2 analytically ! ! D12 D(4,1,5,6) 102.6215 calculate D2E/DX2 analytically ! ! D13 D(4,1,5,8) 29.2395 calculate D2E/DX2 analytically ! ! D14 D(4,1,5,9) 118.4351 calculate D2E/DX2 analytically ! ! D15 D(2,1,9,7) -95.4551 calculate D2E/DX2 analytically ! ! D16 D(2,1,9,10) 89.7219 calculate D2E/DX2 analytically ! ! D17 D(4,1,9,7) 0.7099 calculate D2E/DX2 analytically ! ! D18 D(4,1,9,10) -174.1131 calculate D2E/DX2 analytically ! ! D19 D(1,2,3,4) 29.4096 calculate D2E/DX2 analytically ! ! D20 D(1,2,3,7) -99.7933 calculate D2E/DX2 analytically ! ! D21 D(6,2,3,4) 102.6879 calculate D2E/DX2 analytically ! ! D22 D(6,2,3,7) -26.515 calculate D2E/DX2 analytically ! ! D23 D(1,2,6,5) -25.4605 calculate D2E/DX2 analytically ! ! D24 D(1,2,6,7) 93.7795 calculate D2E/DX2 analytically ! ! D25 D(1,2,6,9) -145.5596 calculate D2E/DX2 analytically ! ! D26 D(3,2,6,5) -93.7483 calculate D2E/DX2 analytically ! ! D27 D(3,2,6,7) 25.4918 calculate D2E/DX2 analytically ! ! D28 D(3,2,6,9) 146.1527 calculate D2E/DX2 analytically ! ! D29 D(1,2,9,8) 30.2645 calculate D2E/DX2 analytically ! ! D30 D(1,2,9,10) -149.7451 calculate D2E/DX2 analytically ! ! D31 D(3,2,9,8) -30.1836 calculate D2E/DX2 analytically ! ! D32 D(3,2,9,10) 149.8068 calculate D2E/DX2 analytically ! ! D33 D(2,3,4,1) -29.2649 calculate D2E/DX2 analytically ! ! D34 D(2,3,4,8) -99.5851 calculate D2E/DX2 analytically ! ! D35 D(7,3,4,1) 99.4537 calculate D2E/DX2 analytically ! ! D36 D(7,3,4,8) 29.1335 calculate D2E/DX2 analytically ! ! D37 D(2,3,7,6) 26.5111 calculate D2E/DX2 analytically ! ! D38 D(2,3,7,8) 99.9145 calculate D2E/DX2 analytically ! ! D39 D(2,3,7,9) 10.9021 calculate D2E/DX2 analytically ! ! D40 D(4,3,7,6) -102.6558 calculate D2E/DX2 analytically ! ! D41 D(4,3,7,8) -29.2524 calculate D2E/DX2 analytically ! ! D42 D(4,3,7,9) -118.2647 calculate D2E/DX2 analytically ! ! D43 D(2,3,9,5) 95.6737 calculate D2E/DX2 analytically ! ! D44 D(2,3,9,10) -89.5257 calculate D2E/DX2 analytically ! ! D45 D(4,3,9,5) -0.5972 calculate D2E/DX2 analytically ! ! D46 D(4,3,9,10) 174.2034 calculate D2E/DX2 analytically ! ! D47 D(1,4,8,5) 29.1018 calculate D2E/DX2 analytically ! ! D48 D(1,4,8,7) -99.4597 calculate D2E/DX2 analytically ! ! D49 D(1,4,8,9) -35.1013 calculate D2E/DX2 analytically ! ! D50 D(3,4,8,5) 99.4684 calculate D2E/DX2 analytically ! ! D51 D(3,4,8,7) -29.0931 calculate D2E/DX2 analytically ! ! D52 D(3,4,8,9) 35.2653 calculate D2E/DX2 analytically ! ! D53 D(1,4,9,6) -70.4304 calculate D2E/DX2 analytically ! ! D54 D(1,4,9,10) 119.5715 calculate D2E/DX2 analytically ! ! D55 D(3,4,9,6) 48.7456 calculate D2E/DX2 analytically ! ! D56 D(3,4,9,10) -121.2525 calculate D2E/DX2 analytically ! ! D57 D(1,5,6,2) 25.4844 calculate D2E/DX2 analytically ! ! D58 D(1,5,6,7) -93.8436 calculate D2E/DX2 analytically ! ! D59 D(8,5,6,2) 93.7476 calculate D2E/DX2 analytically ! ! D60 D(8,5,6,7) -25.5804 calculate D2E/DX2 analytically ! ! D61 D(1,5,8,4) -29.2594 calculate D2E/DX2 analytically ! ! D62 D(1,5,8,7) 99.8062 calculate D2E/DX2 analytically ! ! D63 D(6,5,8,4) -102.4765 calculate D2E/DX2 analytically ! ! D64 D(6,5,8,7) 26.5892 calculate D2E/DX2 analytically ! ! D65 D(1,5,9,7) -67.0768 calculate D2E/DX2 analytically ! ! D66 D(1,5,9,10) 152.409 calculate D2E/DX2 analytically ! ! D67 D(2,6,7,3) -25.4973 calculate D2E/DX2 analytically ! ! D68 D(2,6,7,8) -93.7408 calculate D2E/DX2 analytically ! ! D69 D(5,6,7,3) 93.805 calculate D2E/DX2 analytically ! ! D70 D(5,6,7,8) 25.5614 calculate D2E/DX2 analytically ! ! D71 D(2,6,9,8) 179.457 calculate D2E/DX2 analytically ! ! D72 D(2,6,9,10) -173.4181 calculate D2E/DX2 analytically ! ! D73 D(3,7,8,4) 29.2343 calculate D2E/DX2 analytically ! ! D74 D(3,7,8,5) -99.8627 calculate D2E/DX2 analytically ! ! D75 D(6,7,8,4) 102.4796 calculate D2E/DX2 analytically ! ! D76 D(6,7,8,5) -26.6174 calculate D2E/DX2 analytically ! ! D77 D(3,7,9,5) 67.0774 calculate D2E/DX2 analytically ! ! D78 D(3,7,9,10) -152.4449 calculate D2E/DX2 analytically ! ! D79 D(4,8,9,6) -0.5126 calculate D2E/DX2 analytically ! ! D80 D(4,8,9,10) 179.9061 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 14:23:41 2008, MaxMem= 1258291200 cpu: 0.2 (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 14:23:42 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 29 0 0.665734 0.947935 0.814410 2 29 0 1.948355 -0.088796 -1.038500 3 29 0 -0.516759 0.116503 -1.220897 4 29 0 -1.432484 2.089239 0.034155 5 29 0 0.273483 -0.633899 2.682401 6 29 0 0.587072 -1.658354 0.393822 7 29 0 -1.674013 -2.006797 -0.671751 8 29 0 -1.532895 -0.211409 1.035629 9 6 0 1.464675 -3.352669 0.587420 10 8 0 1.979783 -4.394898 0.717257 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Cu 0.000000 2 Cu 2.480565 0.000000 3 Cu 2.496406 2.480364 0.000000 4 Cu 2.512745 4.162270 2.511054 0.000000 5 Cu 2.479002 4.116727 4.052570 4.164014 0.000000 6 Cu 2.641179 2.523520 2.641188 4.272285 2.526943 7 Cu 4.051362 4.115190 2.479758 4.163430 4.114356 8 Cu 2.495393 4.054152 2.496391 2.511178 2.480597 9 C 4.380071 3.678373 4.385344 6.189829 3.633123 10 O 5.502911 4.650396 5.508348 7.358956 4.573659 6 7 8 9 10 6 Cu 0.000000 7 Cu 2.523760 0.000000 8 Cu 2.645719 2.481628 0.000000 9 C 1.917908 3.639814 4.365069 0.000000 10 O 3.087544 4.580677 5.471915 1.169802 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): 0.3466437 0.2520527 0.2519521 Leave Link 202 at Fri Apr 11 14:23:42 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 2113.9730783275 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 14:23:42 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 14:23:46 2008, MaxMem= 1258291200 cpu: 9.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Fri Apr 11 14:23:46 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the checkpoint file: Cu8CO06.chk Guess basis will be translated and rotated to current coordinates. Leave Link 401 at Fri Apr 11 14:23:47 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= -1682.75030797071 DIIS: error= 1.05D-08 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.75030797071 IErMin= 1 ErrMin= 1.05D-08 ErrMax= 1.05D-08 EMaxC= 1.00D-01 BMatC= 3.02D-14 BMatP= 3.02D-14 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=6.10D-09 MaxDP=1.15D-07 OVMax= 2.84D-07 SCF Done: E(RB+HF-LYP) = -1682.75030797 A.U. after 1 cycles Convg = 0.6102D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132179402071D+03 PE=-8.338225969349D+03 EE= 3.409323180980D+03 Leave Link 502 at Fri Apr 11 14:24:06 2008, MaxMem= 1258291200 cpu: 48.6 (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 0.11934286D+02 Leave Link 801 at Fri Apr 11 14:24:06 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 14:24:12 2008, MaxMem= 1258291200 cpu: 21.2 (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 14:24:12 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1110.exe) Forming Gx(P) for the SCF density, NAtomX= 10. Integral derivatives from FoFDir, PRISM(SPDF). Do as many integral derivatives as possible in FoFDir. G2DrvN: MDV= 1258291118. G2DrvN: will do 11 centers at a time, making 1 passes doing MaxLOS=2. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. FoFDir/FoFCou used for L=0 through L=2. Leave Link 1110 at Fri Apr 11 14:25:34 2008, MaxMem= 1258291200 cpu: 269.0 (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. 16 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= 2.62D-15 Conv= 1.00D-12. Inverted reduced A of dimension 232 with in-core refinement. FullF1: Do perturbations 1 to 33. Isotropic polarizability for W= 0.000000 290.82 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:28:56 2008, MaxMem= 1258291200 cpu: 717.7 (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 -- -19.27107 -10.35227 -4.34299 -4.30025 -4.30001 Alpha occ. eigenvalues -- -4.29993 -4.28373 -4.28371 -4.28369 -4.27254 Alpha occ. eigenvalues -- -2.85377 -2.84689 -2.84687 -2.80872 -2.80813 Alpha occ. eigenvalues -- -2.80810 -2.80714 -2.80696 -2.80692 -2.80660 Alpha occ. eigenvalues -- -2.80629 -2.80621 -2.79291 -2.79289 -2.79286 Alpha occ. eigenvalues -- -2.79016 -2.79012 -2.79010 -2.79008 -2.79004 Alpha occ. eigenvalues -- -2.79004 -2.78193 -2.77856 -2.77855 -1.18802 Alpha occ. eigenvalues -- -0.58676 -0.48336 -0.48334 -0.47414 -0.35853 Alpha occ. eigenvalues -- -0.33647 -0.33633 -0.32447 -0.32440 -0.32426 Alpha occ. eigenvalues -- -0.32136 -0.30924 -0.30751 -0.30749 -0.29897 Alpha occ. eigenvalues -- -0.29892 -0.29362 -0.29056 -0.28583 -0.28574 Alpha occ. eigenvalues -- -0.28481 -0.28474 -0.27424 -0.27422 -0.26738 Alpha occ. eigenvalues -- -0.26520 -0.26518 -0.26387 -0.26252 -0.26249 Alpha occ. eigenvalues -- -0.26123 -0.25853 -0.25851 -0.25772 -0.25770 Alpha occ. eigenvalues -- -0.25685 -0.25263 -0.25261 -0.25256 -0.24848 Alpha occ. eigenvalues -- -0.24847 -0.24816 -0.24644 -0.24335 -0.24332 Alpha occ. eigenvalues -- -0.20300 -0.20297 -0.18695 Alpha virt. eigenvalues -- -0.08621 -0.08602 -0.07931 -0.07077 -0.07059 Alpha virt. eigenvalues -- -0.04250 -0.03085 -0.03080 -0.00554 -0.00551 Alpha virt. eigenvalues -- -0.00482 0.01920 0.02286 0.02805 0.02824 Alpha virt. eigenvalues -- 0.03041 0.03891 0.04219 0.04223 0.04459 Alpha virt. eigenvalues -- 0.04469 0.04949 0.04951 0.06113 0.06808 Alpha virt. eigenvalues -- 0.07005 0.07009 0.08091 0.08096 0.08225 Alpha virt. eigenvalues -- 0.08552 0.08571 0.08574 0.10489 0.10510 Alpha virt. eigenvalues -- 0.10590 0.10815 0.11878 0.11897 0.15521 Alpha virt. eigenvalues -- 0.15528 0.19959 0.21406 0.22796 0.22849 Alpha virt. eigenvalues -- 0.24393 0.24889 0.24967 0.25848 0.28898 Alpha virt. eigenvalues -- 0.28962 0.30379 0.32174 0.32179 0.34654 Alpha virt. eigenvalues -- 0.39683 0.39915 0.53552 0.64085 0.65956 Alpha virt. eigenvalues -- 0.65983 0.67474 0.67492 0.67928 0.69818 Alpha virt. eigenvalues -- 0.70934 0.70994 0.74882 0.75149 0.79121 Alpha virt. eigenvalues -- 0.79637 0.79680 0.83493 0.85988 0.86012 Alpha virt. eigenvalues -- 0.86420 0.86920 0.87114 0.88266 0.88391 Alpha virt. eigenvalues -- 0.89055 0.93551 0.99734 1.05829 1.05855 Alpha virt. eigenvalues -- 1.06013 1.06017 1.08670 1.17078 1.17960 Alpha virt. eigenvalues -- 1.17974 1.23148 1.23322 1.28210 1.31034 Alpha virt. eigenvalues -- 1.31070 1.31675 1.31710 1.32180 1.33010 Alpha virt. eigenvalues -- 1.33086 1.35457 1.52251 1.64190 1.83993 Alpha virt. eigenvalues -- 1.84176 2.01987 2.30405 2.31087 3.67490 Alpha virt. eigenvalues -- 11.94035 Molecular Orbital Coefficients 1 2 3 4 5 O O O O O EIGENVALUES -- -19.27107 -10.35227 -4.34299 -4.30025 -4.30001 1 1 Cu 1S -0.00006 0.00027 0.00023 0.61246 0.71166 2 2S -0.00010 0.00044 -0.00116 0.00388 0.00708 3 3S -0.00053 0.00310 -0.00372 0.01021 0.01040 4 4PX 0.00000 0.00001 -0.00002 0.00153 0.00161 5 4PY 0.00000 -0.00003 0.00011 0.00174 0.00191 6 4PZ 0.00000 0.00000 0.00001 0.00097 0.00095 7 5PX -0.00009 -0.00005 0.00018 -0.00072 -0.00196 8 5PY 0.00019 -0.00141 0.00303 -0.00208 -0.00250 9 5PZ -0.00002 -0.00022 0.00052 -0.00046 -0.00188 10 6PX -0.00013 -0.00037 0.00090 -0.00100 -0.00145 11 6PY 0.00028 0.00027 -0.00021 -0.00149 -0.00174 12 6PZ 0.00001 -0.00012 0.00025 -0.00050 -0.00155 13 7D 0 0.00000 0.00001 -0.00001 0.00008 0.00012 14 7D+1 0.00000 0.00000 0.00001 -0.00008 -0.00003 15 7D-1 0.00000 -0.00001 0.00000 -0.00002 0.00003 16 7D+2 0.00000 0.00002 0.00000 0.00001 0.00004 17 7D-2 0.00000 0.00000 -0.00001 0.00005 0.00008 18 8D 0 0.00000 -0.00010 0.00023 -0.00010 -0.00011 19 8D+1 0.00001 0.00002 -0.00007 0.00008 0.00005 20 8D-1 0.00000 0.00005 -0.00011 0.00009 0.00006 21 8D+2 0.00002 -0.00015 0.00030 -0.00008 -0.00011 22 8D-2 0.00001 0.00000 0.00002 0.00006 0.00013 23 2 Cu 1S -0.00006 0.00004 0.00069 0.00613 0.00003 24 2S -0.00007 -0.00002 -0.00056 -0.00073 0.00000 25 3S 0.00034 -0.00330 -0.00292 -0.00535 -0.00019 26 4PX 0.00001 -0.00002 0.00006 0.00012 -0.00003 27 4PY 0.00001 -0.00002 0.00004 -0.00003 -0.00002 28 4PZ -0.00001 0.00002 -0.00005 -0.00006 -0.00005 29 5PX -0.00008 0.00032 0.00073 0.00121 -0.00039 30 5PY -0.00004 0.00049 0.00125 -0.00072 -0.00031 31 5PZ 0.00006 -0.00038 -0.00094 -0.00037 -0.00078 32 6PX 0.00014 0.00101 -0.00018 0.00131 0.00028 33 6PY -0.00038 -0.00049 0.00125 0.00024 0.00016 34 6PZ 0.00007 -0.00039 -0.00042 -0.00088 0.00045 35 7D 0 0.00000 -0.00001 0.00001 0.00001 -0.00006 36 7D+1 0.00000 0.00001 0.00003 0.00003 0.00006 37 7D-1 0.00000 -0.00001 0.00005 -0.00003 -0.00004 38 7D+2 0.00000 -0.00003 0.00003 -0.00006 0.00006 39 7D-2 0.00000 0.00000 -0.00004 0.00002 0.00002 40 8D 0 -0.00001 0.00005 -0.00005 -0.00001 0.00020 41 8D+1 0.00001 -0.00010 0.00001 -0.00012 -0.00018 42 8D-1 0.00000 0.00008 -0.00015 0.00009 0.00011 43 8D+2 -0.00002 0.00019 -0.00017 0.00021 -0.00016 44 8D-2 -0.00002 0.00004 0.00003 -0.00004 -0.00006 45 3 Cu 1S -0.00006 0.00027 0.00022 0.65635 -0.70418 46 2S -0.00010 0.00045 -0.00117 0.00433 -0.00718 47 3S -0.00053 0.00315 -0.00371 0.01084 -0.01018 48 4PX 0.00000 0.00001 -0.00005 -0.00048 0.00045 49 4PY 0.00000 -0.00003 0.00009 0.00037 -0.00045 50 4PZ 0.00000 0.00000 -0.00005 -0.00261 0.00255 51 5PX -0.00009 0.00060 -0.00127 0.00068 -0.00106 52 5PY 0.00019 -0.00098 0.00203 -0.00116 0.00030 53 5PZ -0.00003 0.00089 -0.00196 0.00205 -0.00356 54 6PX -0.00018 -0.00020 0.00038 0.00036 -0.00086 55 6PY 0.00027 0.00041 -0.00065 -0.00057 0.00007 56 6PZ -0.00005 0.00019 -0.00067 0.00191 -0.00259 57 7D 0 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0.00118 0.00038 25 3S 0.00007 0.00008 -0.00080 0.01217 -0.00045 26 4PX -0.00604 -0.00907 -0.00438 -0.00481 0.02589 27 4PY -0.00419 -0.00656 -0.00359 0.00423 -0.00409 28 4PZ -0.01029 -0.01602 -0.00811 0.00039 -0.01281 29 5PX -0.00043 0.00063 0.00208 -0.00323 0.00139 30 5PY -0.00029 0.00048 0.00132 0.00046 -0.00074 31 5PZ -0.00069 0.00111 0.00310 0.00200 -0.00059 32 6PX -0.00455 -0.00255 -0.00138 -0.00280 -0.00200 33 6PY -0.00318 -0.00182 -0.00150 0.00570 0.00213 34 6PZ -0.00782 -0.00432 -0.00264 -0.00092 0.00072 35 7D 0 0.00015 0.00029 0.00008 0.00003 -0.00009 36 7D+1 -0.00012 -0.00024 -0.00010 0.00010 -0.00022 37 7D-1 0.00007 0.00013 0.00008 -0.00005 0.00006 38 7D+2 -0.00012 -0.00022 -0.00008 -0.00014 0.00024 39 7D-2 -0.00005 -0.00010 -0.00002 0.00005 -0.00012 40 8D 0 -0.00077 -0.00160 -0.00035 -0.00011 0.00057 41 8D+1 0.00061 0.00134 0.00063 -0.00079 0.00096 42 8D-1 -0.00033 -0.00079 -0.00059 0.00020 -0.00046 43 8D+2 0.00057 0.00125 0.00054 0.00098 -0.00107 44 8D-2 0.00027 0.00053 0.00000 -0.00012 0.00100 45 3 Cu 1S 0.00044 0.00021 0.00213 -0.00111 0.00007 46 2S 0.00101 -0.00023 -0.00188 0.00092 0.00057 47 3S -0.03700 0.00725 0.05507 -0.02781 0.00121 48 4PX 0.30085 0.51917 0.25518 0.15919 -0.30967 49 4PY 0.19820 0.25041 -0.15352 0.26006 0.54612 50 4PZ -0.35556 0.02545 0.58545 -0.31717 0.07463 51 5PX 0.00478 0.01296 0.00908 0.00419 -0.00642 52 5PY 0.00439 0.00584 -0.00603 0.00816 0.01143 53 5PZ -0.01690 0.00186 0.02277 -0.01228 0.00193 54 6PX -0.01475 -0.01823 -0.00483 -0.00622 0.00289 55 6PY 0.00474 -0.00970 0.00503 -0.00673 -0.00607 56 6PZ 0.00174 0.00246 0.00706 -0.00266 -0.00131 57 7D 0 0.00088 -0.00002 -0.00080 0.00042 -0.00023 58 7D+1 -0.00045 -0.00059 -0.00055 0.00007 0.00042 59 7D-1 -0.00044 -0.00023 0.00057 -0.00044 -0.00079 60 7D+2 -0.00010 -0.00006 0.00004 -0.00005 -0.00014 61 7D-2 -0.00004 -0.00001 0.00019 -0.00013 -0.00034 62 8D 0 -0.00157 0.00014 -0.00122 0.00087 0.00001 63 8D+1 0.00042 -0.00114 -0.00018 -0.00135 0.00040 64 8D-1 0.00012 -0.00074 -0.00112 -0.00027 -0.00034 65 8D+2 0.00019 -0.00039 -0.00022 -0.00011 0.00028 66 8D-2 0.00023 0.00006 -0.00039 0.00021 0.00022 67 4 Cu 1S 0.00001 0.00000 0.00004 -0.00026 -0.00281 68 2S 0.00000 0.00000 0.00002 -0.00011 -0.00065 69 3S 0.00003 0.00000 0.00011 -0.00074 -0.00588 70 4PX 0.00167 -0.00010 0.00047 0.00193 0.01518 71 4PY 0.00124 -0.00007 0.00081 -0.00178 -0.02577 72 4PZ 0.00290 -0.00011 0.00123 -0.00031 0.00108 73 5PX -0.00233 0.00022 0.00055 0.00126 0.00050 74 5PY -0.00164 0.00015 0.00040 0.00059 -0.00169 75 5PZ -0.00401 0.00032 0.00111 -0.00085 0.00052 76 6PX 0.00440 0.00009 0.00346 0.00545 -0.00268 77 6PY 0.00308 0.00008 0.00243 0.00315 0.00659 78 6PZ 0.00752 0.00025 0.00683 -0.00386 -0.00158 79 7D 0 0.00010 -0.00001 -0.00002 0.00003 0.00031 80 7D+1 -0.00004 0.00001 0.00001 0.00002 -0.00004 81 7D-1 -0.00001 0.00000 0.00000 0.00003 0.00003 82 7D+2 -0.00003 0.00001 0.00000 0.00003 0.00028 83 7D-2 -0.00005 0.00000 0.00000 0.00002 0.00049 84 8D 0 -0.00084 0.00006 0.00018 -0.00016 -0.00166 85 8D+1 0.00013 -0.00005 -0.00023 -0.00018 0.00021 86 8D-1 0.00040 0.00001 0.00025 -0.00037 -0.00014 87 8D+2 -0.00001 -0.00004 -0.00021 -0.00033 -0.00148 88 8D-2 0.00052 -0.00002 0.00000 0.00005 -0.00263 89 5 Cu 1S -0.00228 0.00012 0.00023 -0.00011 0.00124 90 2S -0.00100 0.00015 0.00100 -0.00053 0.00053 91 3S -0.00911 0.00152 0.01055 -0.00541 0.00084 92 4PX -0.01739 0.01681 -0.01009 -0.00699 0.00560 93 4PY 0.01600 0.00858 0.00249 -0.00768 -0.00835 94 4PZ -0.03260 -0.00084 -0.00484 0.00418 0.02193 95 5PX 0.00099 -0.00074 0.00082 0.00374 0.00041 96 5PY -0.00310 -0.00007 0.00183 0.00103 -0.00064 97 5PZ -0.00099 -0.00026 -0.00349 0.00138 0.00054 98 6PX -0.00685 0.00481 -0.00484 -0.00136 -0.00195 99 6PY 0.00507 0.00279 0.00430 -0.00372 0.00154 100 6PZ 0.00825 -0.00081 0.00061 0.00013 -0.00107 101 7D 0 -0.00028 -0.00006 -0.00011 0.00009 0.00017 102 7D+1 -0.00027 0.00034 -0.00020 -0.00007 0.00011 103 7D-1 0.00026 0.00020 0.00008 -0.00015 -0.00017 104 7D+2 -0.00008 0.00018 -0.00008 -0.00010 -0.00002 105 7D-2 0.00002 -0.00008 0.00005 0.00005 -0.00005 106 8D 0 0.00117 0.00039 0.00086 -0.00061 -0.00052 107 8D+1 0.00117 -0.00189 0.00107 0.00031 -0.00064 108 8D-1 -0.00108 -0.00115 -0.00040 0.00083 0.00103 109 8D+2 0.00047 -0.00105 0.00058 0.00072 0.00020 110 8D-2 0.00014 0.00046 -0.00028 -0.00038 0.00044 111 6 Cu 1S 0.00000 0.00000 -0.00002 0.00015 0.00252 112 2S 0.00000 0.00000 -0.00001 0.00007 0.00134 113 3S -0.00005 0.00002 0.00009 -0.00019 0.00630 114 4PX -0.00162 0.00027 0.00176 0.00291 -0.00458 115 4PY -0.00115 0.00020 0.00121 0.00196 0.00895 116 4PZ -0.00282 0.00043 0.00347 -0.00216 -0.00118 117 5PX -0.00323 0.00038 0.00179 0.00358 0.00001 118 5PY -0.00225 0.00026 0.00134 0.00151 -0.00005 119 5PZ -0.00555 0.00058 0.00359 -0.00233 -0.00009 120 6PX 0.00614 0.00010 0.00378 0.00636 -0.00118 121 6PY 0.00432 0.00008 0.00276 0.00314 0.00131 122 6PZ 0.01054 0.00026 0.00753 -0.00428 0.00024 123 7D 0 0.00006 -0.00001 -0.00003 0.00001 -0.00015 124 7D+1 -0.00003 -0.00001 -0.00012 0.00005 0.00002 125 7D-1 0.00000 0.00002 0.00020 -0.00013 -0.00005 126 7D+2 -0.00002 -0.00001 -0.00013 -0.00019 -0.00015 127 7D-2 -0.00003 0.00001 0.00006 0.00012 -0.00022 128 8D 0 -0.00046 0.00002 0.00000 0.00002 0.00090 129 8D+1 0.00041 0.00005 0.00068 -0.00011 -0.00011 130 8D-1 -0.00027 -0.00009 -0.00101 0.00076 0.00026 131 8D+2 0.00040 0.00006 0.00071 0.00098 0.00085 132 8D-2 0.00014 -0.00004 -0.00026 -0.00058 0.00130 133 7 Cu 1S 0.00228 -0.00013 -0.00023 -0.00016 0.00128 134 2S 0.00100 -0.00016 -0.00092 -0.00066 0.00051 135 3S 0.00910 -0.00161 -0.00977 -0.00675 0.00077 136 4PX -0.01051 -0.00708 0.00338 -0.00417 -0.01191 137 4PY -0.03560 -0.00164 -0.00652 -0.00675 -0.02147 138 4PZ -0.01535 0.01727 -0.00896 0.00713 -0.00706 139 5PX -0.00230 0.00021 -0.00262 0.00036 -0.00002 140 5PY 0.00220 -0.00034 -0.00286 -0.00153 -0.00101 141 5PZ -0.00126 -0.00072 0.00100 -0.00379 -0.00024 142 6PX 0.01176 -0.00241 0.00440 0.00086 -0.00089 143 6PY -0.00164 -0.00107 -0.00421 -0.00310 0.00255 144 6PZ 0.00018 0.00485 -0.00164 0.00284 0.00135 145 7D 0 -0.00005 -0.00022 0.00003 -0.00010 -0.00012 146 7D+1 0.00005 -0.00011 0.00004 0.00000 0.00005 147 7D-1 0.00027 -0.00032 0.00022 -0.00008 0.00012 148 7D+2 -0.00023 0.00002 -0.00010 -0.00008 -0.00016 149 7D-2 0.00029 0.00018 0.00006 0.00016 0.00018 150 8D 0 -0.00001 0.00125 -0.00009 0.00050 0.00063 151 8D+1 -0.00014 0.00061 -0.00026 -0.00015 -0.00011 152 8D-1 -0.00117 0.00180 -0.00138 0.00047 -0.00053 153 8D+2 0.00093 -0.00012 0.00042 0.00050 0.00112 154 8D-2 -0.00136 -0.00104 -0.00048 -0.00102 -0.00060 155 8 Cu 1S 0.00000 0.00001 -0.00014 0.00228 -0.00037 156 2S -0.00001 0.00000 0.00014 -0.00222 0.00088 157 3S 0.00017 0.00035 -0.00413 0.06381 -0.00521 158 4PX 0.33042 -0.26677 0.15903 0.65731 -0.24068 159 4PY 0.23034 -0.18786 0.13891 -0.00552 0.42956 160 4PZ 0.56286 -0.46485 0.36976 -0.34693 -0.02775 161 5PX 0.00645 -0.00623 0.00399 0.02552 -0.00546 162 5PY 0.00448 -0.00443 0.00398 -0.00101 0.00835 163 5PZ 0.01092 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183 5PX 0.00093 -0.00016 -0.00096 -0.00174 -0.00019 184 5PY 0.00068 -0.00011 -0.00070 -0.00086 0.00034 185 5PZ 0.00163 -0.00025 -0.00191 0.00118 0.00004 186 10 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00002 187 2S 0.00000 0.00000 0.00000 0.00001 -0.00042 188 3S 0.00000 0.00000 0.00000 -0.00005 0.00178 189 4PX 0.00005 -0.00001 -0.00004 -0.00008 -0.00006 190 4PY 0.00004 -0.00001 -0.00003 -0.00002 0.00010 191 4PZ 0.00009 -0.00001 -0.00009 0.00005 0.00000 192 5PX -0.00033 0.00005 0.00032 0.00061 -0.00005 193 5PY -0.00024 0.00004 0.00024 0.00022 0.00022 194 5PZ -0.00058 0.00008 0.00065 -0.00038 -0.00009 21 22 23 24 25 O O O O O EIGENVALUES -- -2.80629 -2.80621 -2.79291 -2.79289 -2.79286 1 1 Cu 1S -0.00074 -0.00049 0.00201 0.00020 0.00101 2 2S 0.00034 0.00033 0.00223 -0.00083 -0.00080 3 3S 0.00234 0.00243 0.01442 0.01763 0.03689 4 4PX 0.49405 0.32799 0.00539 0.02089 -0.00001 5 4PY -0.43207 -0.22491 -0.01040 -0.00866 -0.03221 6 4PZ 0.21213 0.04086 -0.00712 -0.03633 0.02011 7 5PX 0.01211 0.00698 -0.00135 0.00211 0.00021 8 5PY -0.01268 -0.00780 -0.00258 -0.00213 -0.00568 9 5PZ 0.00340 0.00236 -0.00164 -0.00286 0.00120 10 6PX -0.02092 -0.01060 0.00036 0.00312 -0.00035 11 6PY 0.01756 0.01304 -0.00278 -0.00182 -0.00639 12 6PZ -0.00215 -0.00966 -0.00145 -0.00574 0.00275 13 7D 0 0.00019 0.00016 0.00008 0.00008 0.00018 14 7D+1 0.00033 0.00022 -0.00012 -0.00022 -0.00013 15 7D-1 -0.00016 -0.00001 0.00002 0.00036 -0.00026 16 7D+2 0.00096 0.00054 0.00001 0.00010 -0.00010 17 7D-2 0.00014 0.00004 -0.00007 -0.00014 0.00009 18 8D 0 0.00022 -0.00076 -0.00048 -0.00057 -0.00107 19 8D+1 0.00053 -0.00019 0.00077 0.00130 0.00084 20 8D-1 0.00099 -0.00053 -0.00017 -0.00230 0.00165 21 8D+2 -0.00022 -0.00007 0.00005 -0.00056 0.00067 22 8D-2 0.00032 0.00099 0.00045 0.00089 -0.00062 23 2 Cu 1S 0.00000 -0.00051 -0.00008 -0.00233 -0.00173 24 2S -0.00004 0.00032 0.00300 0.00480 -0.00037 25 3S 0.00000 0.00032 -0.00837 -0.05044 -0.02813 26 4PX 0.00799 -0.01486 0.27561 0.77374 0.22919 27 4PY 0.00511 0.00345 0.01326 0.03593 0.01057 28 4PZ 0.01259 0.00894 -0.16460 -0.46473 -0.13681 29 5PX -0.00118 -0.00158 0.00630 0.02457 0.00901 30 5PY -0.00088 0.00008 -0.00108 0.00189 0.00182 31 5PZ -0.00222 0.00060 -0.00487 -0.01411 -0.00717 32 6PX 0.00543 0.00337 -0.00227 0.00229 0.00317 33 6PY 0.00422 -0.00368 -0.00193 0.00056 0.00191 34 6PZ 0.00965 0.00083 0.00030 -0.00054 -0.00389 35 7D 0 -0.00015 0.00005 -0.00007 -0.00028 -0.00006 36 7D+1 0.00013 0.00016 -0.00075 -0.00211 -0.00065 37 7D-1 -0.00009 -0.00007 -0.00005 -0.00016 -0.00007 38 7D+2 0.00014 -0.00016 0.00060 0.00171 0.00051 39 7D-2 0.00004 0.00011 0.00006 0.00026 0.00009 40 8D 0 0.00050 -0.00038 -0.00016 0.00015 -0.00013 41 8D+1 -0.00056 -0.00078 0.00005 0.00011 0.00023 42 8D-1 0.00049 0.00043 -0.00001 0.00018 0.00016 43 8D+2 -0.00064 0.00075 0.00010 0.00000 0.00003 44 8D-2 -0.00005 -0.00080 0.00014 -0.00016 -0.00009 45 3 Cu 1S 0.00083 -0.00036 -0.00084 0.00181 -0.00104 46 2S -0.00044 0.00025 -0.00009 0.00048 -0.00246 47 3S -0.00285 0.00199 -0.01919 0.03679 0.01274 48 4PX -0.26021 0.17484 0.02920 0.03235 0.00729 49 4PY 0.61434 -0.19490 0.03251 -0.01545 -0.00823 50 4PZ 0.23358 -0.10470 -0.00853 0.00755 0.00201 51 5PX -0.00833 0.00302 0.00160 0.00389 0.00119 52 5PY 0.01620 -0.00680 0.00364 -0.00322 -0.00206 53 5PZ 0.00373 -0.00129 -0.00195 0.00329 -0.00100 54 6PX 0.01550 0.00024 0.00415 0.00563 0.00117 55 6PY -0.02397 0.01481 0.00552 -0.00329 -0.00132 56 6PZ -0.00787 0.00293 -0.00206 0.00263 0.00012 57 7D 0 -0.00040 0.00014 0.00008 -0.00021 -0.00001 58 7D+1 0.00044 -0.00009 0.00009 0.00002 0.00001 59 7D-1 -0.00083 0.00037 0.00013 -0.00003 -0.00003 60 7D+2 -0.00010 0.00008 0.00031 0.00030 0.00007 61 7D-2 -0.00033 0.00011 -0.00032 0.00004 0.00005 62 8D 0 -0.00077 0.00059 -0.00048 0.00128 0.00005 63 8D+1 -0.00084 -0.00086 -0.00068 -0.00026 -0.00009 64 8D-1 0.00006 -0.00083 -0.00090 0.00022 0.00017 65 8D+2 -0.00029 -0.00045 -0.00195 -0.00186 -0.00043 66 8D-2 0.00010 0.00023 0.00199 -0.00024 -0.00032 67 4 Cu 1S 0.00013 -0.00035 0.00051 -0.00087 -0.00140 68 2S 0.00004 -0.00008 0.00083 -0.00139 -0.00226 69 3S 0.00036 -0.00078 0.00286 -0.00483 -0.00784 70 4PX -0.00679 -0.01005 -0.00001 0.00037 0.00049 71 4PY -0.00348 -0.00899 0.00041 -0.00053 -0.00086 72 4PZ -0.01317 0.00794 0.00002 -0.00010 0.00020 73 5PX 0.00126 0.00249 -0.00109 -0.00111 -0.00093 74 5PY 0.00098 0.00095 -0.00132 0.00070 0.00133 75 5PZ 0.00266 -0.00150 -0.00039 0.00125 -0.00115 76 6PX -0.00520 -0.01081 -0.00064 -0.00193 -0.00219 77 6PY -0.00425 -0.00417 -0.00224 0.00218 0.00377 78 6PZ -0.01123 0.00660 -0.00027 0.00111 -0.00141 79 7D 0 -0.00006 0.00003 0.00003 -0.00005 -0.00001 80 7D+1 0.00025 0.00002 -0.00002 -0.00003 0.00002 81 7D-1 -0.00035 0.00030 -0.00002 0.00002 -0.00003 82 7D+2 0.00024 0.00035 0.00005 0.00001 -0.00003 83 7D-2 -0.00007 -0.00020 -0.00002 -0.00003 -0.00006 84 8D 0 0.00034 -0.00018 -0.00018 0.00029 0.00006 85 8D+1 -0.00133 -0.00013 0.00010 0.00021 -0.00014 86 8D-1 0.00185 -0.00159 0.00013 -0.00015 0.00022 87 8D+2 -0.00129 -0.00187 -0.00034 -0.00003 0.00019 88 8D-2 0.00036 0.00104 0.00012 0.00023 0.00036 89 5 Cu 1S -0.00067 0.00044 0.00031 -0.00028 -0.00289 90 2S 0.00024 -0.00005 0.00151 -0.00352 0.00418 91 3S 0.00033 0.00000 0.00154 0.00377 -0.05838 92 4PX -0.00007 0.01609 0.02020 -0.06007 0.18215 93 4PY 0.01059 0.00244 -0.01802 0.05791 -0.17457 94 4PZ -0.01890 0.00950 0.09695 -0.30174 0.90481 95 5PX -0.00148 -0.00194 -0.00077 -0.00268 0.00530 96 5PY 0.00012 -0.00151 -0.00177 0.00220 -0.00452 97 5PZ -0.00147 0.00099 0.00137 -0.00593 0.03015 98 6PX 0.00661 0.00836 -0.00149 -0.00103 0.00019 99 6PY -0.00159 0.00720 -0.00149 0.00077 0.00029 100 6PZ 0.00088 -0.00168 -0.00196 0.00388 0.00429 101 7D 0 -0.00017 0.00006 0.00027 -0.00083 0.00262 102 7D+1 -0.00007 0.00025 0.00006 -0.00031 0.00087 103 7D-1 0.00025 -0.00001 -0.00011 0.00027 -0.00076 104 7D+2 0.00007 0.00010 0.00000 0.00000 0.00001 105 7D-2 0.00004 -0.00009 -0.00002 0.00005 -0.00016 106 8D 0 0.00066 -0.00021 0.00003 -0.00014 -0.00029 107 8D+1 0.00052 -0.00103 0.00023 0.00014 0.00007 108 8D-1 -0.00136 0.00027 0.00017 0.00001 -0.00023 109 8D+2 -0.00043 -0.00052 0.00002 -0.00001 0.00009 110 8D-2 -0.00030 0.00061 0.00003 -0.00002 0.00009 111 6 Cu 1S -0.00011 0.00030 -0.00039 0.00063 0.00103 112 2S -0.00006 0.00018 0.00014 -0.00027 -0.00037 113 3S -0.00025 0.00071 -0.01495 0.02542 0.04061 114 4PX -0.00189 -0.00455 0.00915 0.00230 -0.00165 115 4PY -0.00193 -0.00087 0.00307 0.00399 0.00530 116 4PZ -0.00437 0.00246 0.00274 -0.00823 0.00536 117 5PX -0.00175 -0.00328 0.00122 0.00237 0.00242 118 5PY -0.00118 -0.00180 0.00279 -0.00249 -0.00419 119 5PZ -0.00362 0.00219 0.00044 -0.00166 0.00203 120 6PX -0.00031 -0.00120 0.00367 0.00105 -0.00056 121 6PY -0.00034 -0.00033 0.00149 0.00132 0.00150 122 6PZ -0.00079 0.00072 0.00096 -0.00322 0.00232 123 7D 0 0.00001 -0.00002 0.00011 -0.00012 0.00026 124 7D+1 0.00008 -0.00001 -0.00032 -0.00009 -0.00009 125 7D-1 -0.00013 0.00009 -0.00009 -0.00030 0.00019 126 7D+2 0.00009 0.00011 -0.00029 0.00006 0.00000 127 7D-2 -0.00002 -0.00012 0.00000 0.00026 0.00006 128 8D 0 0.00011 0.00007 -0.00060 0.00061 -0.00160 129 8D+1 -0.00035 -0.00015 0.00184 0.00057 0.00048 130 8D-1 0.00045 -0.00043 0.00055 0.00163 -0.00107 131 8D+2 -0.00040 -0.00032 0.00162 -0.00045 -0.00015 132 8D-2 -0.00003 0.00049 0.00013 -0.00155 -0.00049 133 7 Cu 1S 0.00050 0.00054 0.00205 -0.00127 -0.00162 134 2S -0.00026 -0.00010 -0.00557 0.00051 -0.00091 135 3S -0.00035 -0.00008 0.04787 -0.02257 -0.02499 136 4PX -0.01037 -0.00110 0.54479 -0.16031 -0.11212 137 4PY -0.01537 -0.01130 0.67985 -0.20079 -0.14053 138 4PZ 0.00287 -0.01672 0.34323 -0.10217 -0.07019 139 5PX -0.00005 -0.00140 0.01642 -0.00743 -0.00646 140 5PY -0.00107 -0.00131 0.02056 -0.00698 -0.00539 141 5PZ -0.00186 0.00170 0.01070 -0.00262 -0.00466 142 6PX -0.00399 0.00299 0.00013 -0.00323 -0.00407 143 6PY 0.00293 0.00446 0.00094 -0.00150 -0.00174 144 6PZ 0.00606 -0.00890 0.00057 0.00025 -0.00317 145 7D 0 -0.00015 0.00002 0.00083 -0.00028 -0.00017 146 7D+1 0.00000 0.00007 -0.00111 0.00032 0.00026 147 7D-1 0.00000 0.00026 -0.00130 0.00038 0.00028 148 7D+2 -0.00015 -0.00014 0.00036 -0.00008 -0.00006 149 7D-2 0.00019 0.00003 -0.00208 0.00063 0.00044 150 8D 0 0.00069 0.00014 -0.00006 0.00023 -0.00003 151 8D+1 -0.00004 -0.00011 0.00019 0.00000 -0.00026 152 8D-1 -0.00002 -0.00123 0.00004 0.00009 -0.00011 153 8D+2 0.00103 0.00079 0.00010 -0.00018 -0.00014 154 8D-2 -0.00080 -0.00006 -0.00002 -0.00014 -0.00005 155 8 Cu 1S -0.00006 0.00083 -0.00145 -0.00152 0.00080 156 2S 0.00000 -0.00033 -0.00059 -0.00223 -0.00096 157 3S 0.00045 -0.00469 -0.02605 -0.00255 0.03422 158 4PX 0.06613 -0.13881 0.00250 -0.01098 0.02946 159 4PY -0.05310 0.82181 0.02815 -0.00568 -0.01436 160 4PZ 0.10403 -0.24371 0.02908 -0.01524 0.01916 161 5PX 0.00070 -0.00621 -0.00209 -0.00223 0.00441 162 5PY -0.00209 0.02103 0.00314 -0.00135 -0.00307 163 5PZ 0.00053 -0.00496 0.00327 -0.00004 0.00110 164 6PX 0.00270 0.00655 -0.00079 -0.00239 0.00561 165 6PY 0.00503 -0.03119 0.00469 -0.00071 -0.00261 166 6PZ 0.00481 0.00967 0.00495 -0.00198 0.00250 167 7D 0 0.00000 -0.00039 -0.00008 0.00000 0.00010 168 7D+1 0.00004 0.00005 0.00002 -0.00015 0.00031 169 7D-1 -0.00009 0.00060 -0.00036 0.00013 -0.00003 170 7D+2 0.00000 0.00031 0.00020 -0.00009 0.00018 171 7D-2 0.00013 -0.00110 -0.00007 0.00005 -0.00005 172 8D 0 0.00100 0.00019 0.00061 -0.00006 -0.00051 173 8D+1 -0.00081 0.00067 -0.00022 0.00098 -0.00190 174 8D-1 0.00035 0.00003 0.00228 -0.00077 0.00016 175 8D+2 -0.00065 -0.00071 -0.00124 0.00056 -0.00121 176 8D-2 -0.00037 -0.00006 0.00031 -0.00034 0.00027 177 9 C 1S 0.00000 0.00001 -0.00004 0.00008 0.00012 178 2S -0.00006 0.00016 -0.00052 0.00095 0.00147 179 3S 0.00024 -0.00073 0.00400 -0.00696 -0.01099 180 4PX -0.00003 -0.00010 -0.00026 0.00000 0.00015 181 4PY -0.00005 0.00001 -0.00001 -0.00018 -0.00028 182 4PZ -0.00008 0.00004 -0.00006 0.00019 -0.00012 183 5PX 0.00092 0.00179 0.00096 0.00015 -0.00026 184 5PY 0.00069 0.00085 0.00031 0.00040 0.00055 185 5PZ 0.00194 -0.00115 0.00027 -0.00078 0.00065 186 10 O 1S 0.00000 0.00000 0.00001 -0.00002 -0.00003 187 2S 0.00002 -0.00009 0.00023 -0.00040 -0.00063 188 3S -0.00010 0.00035 -0.00104 0.00186 0.00288 189 4PX 0.00007 0.00012 0.00005 0.00005 0.00003 190 4PY 0.00005 0.00007 0.00006 -0.00003 -0.00007 191 4PZ 0.00014 -0.00008 0.00001 -0.00005 0.00005 192 5PX -0.00039 -0.00079 -0.00010 -0.00052 -0.00061 193 5PY -0.00032 -0.00028 -0.00065 0.00077 0.00127 194 5PZ -0.00084 0.00047 -0.00001 0.00017 -0.00042 26 27 28 29 30 O O O O O EIGENVALUES -- -2.79016 -2.79012 -2.79010 -2.79008 -2.79004 1 1 Cu 1S -0.00021 0.00015 0.00009 -0.00001 -0.00001 2 2S -0.00047 0.00152 0.00083 -0.00009 0.00040 3 3S -0.00026 -0.00870 -0.00470 0.00076 -0.00798 4 4PX 0.00023 -0.00625 0.00300 0.00005 -0.01339 5 4PY -0.00007 0.00517 0.00489 -0.00047 0.00030 6 4PZ -0.00046 0.00614 -0.01100 0.00049 0.02305 7 5PX -0.00115 0.00254 0.00178 -0.00057 0.00069 8 5PY 0.00119 -0.00411 -0.00211 0.00005 0.00090 9 5PZ -0.00038 0.00097 -0.00026 0.00083 -0.00143 10 6PX 0.00407 0.00582 0.00470 -0.00322 -0.00436 11 6PY -0.00494 0.00168 0.00151 -0.00123 0.00308 12 6PZ 0.00086 0.00530 -0.00061 0.00629 0.00949 13 7D 0 0.00002 -0.00011 -0.00003 0.00005 -0.00005 14 7D+1 0.00000 0.00018 0.00006 0.00002 0.00018 15 7D-1 0.00000 -0.00007 0.00017 0.00005 -0.00040 16 7D+2 0.00004 0.00008 0.00009 -0.00001 -0.00009 17 7D-2 0.00002 0.00006 -0.00006 -0.00003 0.00018 18 8D 0 -0.00009 0.00039 0.00002 -0.00039 0.00063 19 8D+1 -0.00003 -0.00101 -0.00028 -0.00021 -0.00084 20 8D-1 -0.00005 0.00059 -0.00117 -0.00029 0.00263 21 8D+2 -0.00020 -0.00078 -0.00073 0.00016 0.00040 22 8D-2 -0.00010 -0.00050 0.00038 0.00021 -0.00115 23 2 Cu 1S 0.00048 0.00033 -0.00065 -0.00035 -0.00034 24 2S 0.00090 0.00061 -0.00120 -0.00055 -0.00055 25 3S 0.01195 -0.00388 -0.00922 -0.00411 -0.00381 26 4PX 0.06145 -0.16710 0.10138 -0.10987 0.38508 27 4PY -0.14933 0.88640 -0.19654 0.12028 0.35254 28 4PZ 0.09121 -0.21073 0.15333 -0.17554 0.66789 29 5PX -0.00089 -0.00257 0.00432 -0.00025 0.00910 30 5PY -0.00611 0.01906 -0.00170 0.00228 0.00693 31 5PZ 0.00476 -0.00504 0.00180 -0.00297 0.01323 32 6PX -0.00464 0.00141 -0.00094 0.00288 -0.00197 33 6PY 0.00228 -0.00818 -0.00013 0.00513 0.00140 34 6PZ -0.00324 -0.00056 -0.00497 0.00178 -0.00599 35 7D 0 -0.00023 0.00049 -0.00040 0.00042 -0.00163 36 7D+1 0.00015 -0.00025 0.00020 -0.00022 0.00095 37 7D-1 0.00028 -0.00122 0.00025 -0.00019 -0.00029 38 7D+2 0.00020 -0.00047 0.00022 -0.00021 0.00079 39 7D-2 -0.00036 0.00201 -0.00039 0.00025 0.00090 40 8D 0 0.00006 0.00000 0.00019 0.00011 -0.00016 41 8D+1 -0.00015 -0.00003 0.00009 -0.00017 0.00028 42 8D-1 -0.00039 -0.00033 0.00033 -0.00006 -0.00038 43 8D+2 -0.00022 -0.00027 0.00024 -0.00037 0.00016 44 8D-2 0.00018 0.00012 -0.00033 0.00009 0.00004 45 3 Cu 1S -0.00019 0.00015 0.00009 -0.00001 0.00000 46 2S -0.00141 0.00101 -0.00072 -0.00087 -0.00123 47 3S 0.00665 -0.00534 0.01049 0.01673 0.02232 48 4PX -0.00511 -0.01193 0.00192 -0.01437 0.01613 49 4PY -0.00907 -0.00157 -0.00688 -0.01870 -0.00644 50 4PZ 0.00141 0.00066 0.00023 0.00124 -0.00176 51 5PX -0.00268 0.00072 -0.00005 0.00194 -0.00040 52 5PY 0.00403 -0.00313 0.00091 -0.00036 -0.00147 53 5PZ 0.00021 -0.00015 -0.00003 0.00086 0.00129 54 6PX -0.00266 -0.00469 -0.00186 -0.00074 0.00576 55 6PY -0.00079 -0.00050 0.00355 -0.01107 -0.00904 56 6PZ 0.00620 -0.00339 0.00622 0.00501 0.00668 57 7D 0 -0.00011 0.00008 -0.00013 -0.00008 -0.00016 58 7D+1 -0.00002 -0.00005 0.00002 -0.00011 0.00009 59 7D-1 -0.00012 0.00001 -0.00011 -0.00014 -0.00001 60 7D+2 -0.00004 -0.00017 0.00001 -0.00027 0.00025 61 7D-2 0.00014 0.00002 0.00006 0.00027 -0.00002 62 8D 0 0.00067 -0.00052 0.00078 0.00035 0.00097 63 8D+1 0.00004 0.00046 -0.00015 0.00095 -0.00088 64 8D-1 0.00094 -0.00017 0.00082 0.00118 0.00014 65 8D+2 0.00053 0.00103 -0.00001 0.00153 -0.00155 66 8D-2 -0.00059 -0.00042 -0.00021 -0.00165 0.00000 67 4 Cu 1S -0.00084 0.00065 0.00038 -0.00005 -0.00003 68 2S -0.00149 0.00115 0.00067 -0.00009 -0.00005 69 3S -0.01137 0.00861 0.00529 -0.00078 -0.00046 70 4PX -0.00009 -0.00070 -0.00014 -0.00035 -0.00009 71 4PY -0.00073 0.00017 0.00016 -0.00013 0.00003 72 4PZ -0.00019 0.00002 -0.00045 0.00083 0.00087 73 5PX -0.00097 0.00289 0.00057 -0.00061 -0.00020 74 5PY 0.00416 -0.00203 -0.00163 0.00007 0.00022 75 5PZ 0.00021 -0.00012 0.00231 0.00091 0.00148 76 6PX 0.00153 0.00485 0.00096 0.00320 0.00078 77 6PY 0.00446 -0.00010 -0.00072 0.00121 -0.00022 78 6PZ 0.00168 -0.00020 0.00334 -0.00740 -0.00792 79 7D 0 -0.00001 0.00001 0.00002 0.00001 0.00002 80 7D+1 -0.00002 -0.00002 -0.00002 0.00000 -0.00001 81 7D-1 0.00000 -0.00002 0.00006 0.00003 0.00004 82 7D+2 -0.00004 -0.00002 0.00000 0.00000 -0.00001 83 7D-2 -0.00001 0.00003 -0.00001 -0.00002 -0.00002 84 8D 0 0.00005 -0.00007 -0.00012 -0.00006 -0.00010 85 8D+1 0.00011 0.00011 0.00013 -0.00001 0.00009 86 8D-1 -0.00003 0.00011 -0.00041 -0.00021 -0.00028 87 8D+2 0.00027 0.00017 -0.00001 -0.00003 0.00006 88 8D-2 0.00004 -0.00025 0.00006 0.00011 0.00010 89 5 Cu 1S 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74 5PY -0.00328 0.00007 0.00033 0.00619 -0.01651 75 5PZ 0.00022 -0.00051 0.00093 -0.00055 0.00155 76 6PX 0.00032 -0.01416 -0.00765 -0.00567 0.00869 77 6PY -0.00288 -0.00718 -0.00581 0.01181 -0.01679 78 6PZ 0.00116 0.00891 -0.01661 -0.00199 0.00194 79 7D 0 -0.00011 0.00010 -0.00001 -0.00162 -0.05169 80 7D+1 0.00001 0.00001 -0.00005 0.00023 0.00732 81 7D-1 -0.00003 -0.00002 0.00008 -0.00042 -0.01378 82 7D+2 -0.00011 0.00002 -0.00005 -0.00157 -0.05011 83 7D-2 -0.00016 0.00019 0.00002 -0.00238 -0.07574 84 8D 0 -0.00009 -0.00004 0.00011 0.00014 -0.01748 85 8D+1 0.00002 -0.00011 0.00002 -0.00003 0.00245 86 8D-1 -0.00001 -0.00001 -0.00009 0.00002 -0.00465 87 8D+2 -0.00008 0.00008 0.00002 0.00012 -0.01692 88 8D-2 -0.00014 -0.00006 -0.00007 0.00022 -0.02559 89 5 Cu 1S 0.00049 0.00012 0.00000 -0.00149 -0.00969 90 2S 0.00635 -0.00311 0.00400 0.02059 0.11714 91 3S 0.06776 0.00206 -0.00603 -0.00196 0.06263 92 4PX -0.00031 0.00007 -0.00062 -0.00054 0.00574 93 4PY 0.00093 -0.00075 0.00104 0.00208 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-0.00036 -0.15552 0.02005 114 4PX -0.01600 -0.00547 -0.00370 -0.02763 0.03085 115 4PY 0.03106 -0.00714 -0.00284 0.05213 -0.05769 116 4PZ -0.00360 0.00500 -0.00812 -0.00572 0.00578 117 5PX 0.01608 0.00116 0.00103 0.03997 -0.06055 118 5PY -0.03247 0.00542 0.00084 -0.07629 0.11417 119 5PZ 0.00381 -0.00254 0.00248 0.00869 -0.01188 120 6PX -0.00977 0.07051 0.03395 0.05177 -0.00062 121 6PY 0.03313 0.03906 0.02597 -0.09692 0.00544 122 6PZ -0.00901 -0.04614 0.07501 0.01116 -0.00231 123 7D 0 -0.03875 0.00262 0.01062 -0.12556 -0.00053 124 7D+1 0.00645 -0.01116 0.02924 0.01981 -0.00342 125 7D-1 -0.01246 0.03390 -0.04956 -0.03717 0.00876 126 7D+2 -0.03973 0.05419 0.03010 -0.12374 0.00727 127 7D-2 -0.05589 -0.02421 -0.01437 -0.18371 -0.00387 128 8D 0 -0.01748 0.00073 0.00237 -0.03601 -0.00315 129 8D+1 0.00295 -0.00252 0.00753 0.00581 -0.00067 130 8D-1 -0.00567 0.00877 -0.01259 -0.01081 0.00193 131 8D+2 -0.01799 0.01369 0.00774 -0.03578 -0.00060 132 8D-2 -0.02517 -0.00619 -0.00351 -0.05259 -0.00556 133 7 Cu 1S 0.00050 0.00012 -0.00001 -0.00148 -0.00969 134 2S 0.00632 -0.00379 -0.00346 0.02053 0.11700 135 3S 0.06738 0.00341 0.00603 -0.00087 0.06231 136 4PX -0.00170 0.00081 0.00081 -0.00532 -0.01476 137 4PY -0.00007 -0.00048 -0.00073 -0.00135 -0.02033 138 4PZ -0.00079 0.00054 0.00012 -0.00258 -0.00964 139 5PX 0.01429 -0.00238 -0.00351 0.00882 0.01588 140 5PY 0.00572 -0.00022 -0.00095 -0.00722 0.02105 141 5PZ 0.00722 -0.00214 -0.00088 0.00273 0.01012 142 6PX 0.02317 0.00172 0.00732 -0.01201 0.01628 143 6PY -0.01192 -0.01401 -0.01463 0.01959 -0.00087 144 6PZ 0.00995 0.00736 -0.00446 -0.00254 0.00785 145 7D 0 -0.00111 0.00048 0.00098 -0.00472 -0.03129 146 7D+1 0.00198 -0.00135 -0.00008 0.00777 0.03706 147 7D-1 -0.00008 0.00154 0.00094 0.00245 0.05241 148 7D+2 0.00166 -0.00038 -0.00083 0.00429 -0.02355 149 7D-2 -0.00049 0.00205 0.00345 0.00304 0.08253 150 8D 0 -0.00041 0.00049 0.00080 -0.00164 -0.01059 151 8D+1 0.00071 -0.00085 -0.00068 0.00230 0.01277 152 8D-1 0.00036 0.00063 0.00045 0.00091 0.01764 153 8D+2 0.00032 -0.00041 -0.00079 0.00085 -0.00757 154 8D-2 0.00060 0.00105 0.00165 0.00109 0.02780 155 8 Cu 1S 0.00113 0.00016 -0.00001 -0.00202 -0.01332 156 2S 0.00474 -0.00088 -0.00007 0.02578 0.24533 157 3S -0.01206 0.02297 -0.00279 0.06746 -0.05903 158 4PX -0.00109 0.00012 0.00006 -0.00709 -0.03983 159 4PY 0.00049 -0.00008 0.00001 0.00241 -0.00291 160 4PZ 0.00043 -0.00003 0.00003 0.00315 0.02429 161 5PX 0.00362 0.00304 -0.00075 0.02066 0.05015 162 5PY -0.00020 -0.00072 -0.00005 -0.01166 0.01277 163 5PZ -0.00213 -0.00154 -0.00036 -0.00717 -0.03442 164 6PX -0.00461 0.01514 -0.00769 0.01027 -0.05663 165 6PY 0.00333 -0.04032 -0.00017 -0.00803 0.00454 166 6PZ 0.00154 0.00597 -0.01094 -0.00268 0.03091 167 7D 0 -0.00114 -0.00006 0.00065 -0.00558 -0.00646 168 7D+1 -0.00143 0.00012 -0.00042 -0.01012 -0.10163 169 7D-1 0.00072 0.00040 0.00019 0.00396 -0.01254 170 7D+2 0.00137 0.00007 -0.00051 0.01003 0.08206 171 7D-2 -0.00204 -0.00055 -0.00010 -0.00953 0.02600 172 8D 0 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0.05636 -0.08951 0.07053 -0.19861 0.02978 17 7D-2 0.09269 0.05607 0.11079 -0.10693 0.01325 18 8D 0 -0.02409 -0.02675 0.01399 0.01360 -0.01605 19 8D+1 -0.00154 -0.01764 0.01292 -0.05499 0.03138 20 8D-1 -0.06137 -0.03806 -0.00608 -0.02911 -0.01728 21 8D+2 0.01916 -0.03068 0.02382 -0.06466 0.00871 22 8D-2 0.02999 0.02140 0.03982 -0.03797 0.00436 23 2 Cu 1S 0.00298 0.00037 -0.00011 -0.00029 -0.00226 24 2S -0.09893 -0.01204 -0.01206 0.06885 -0.06896 25 3S -0.06075 -0.00767 -0.02190 0.08745 -0.19221 26 4PX -0.02098 -0.00410 0.00318 0.00942 -0.00753 27 4PY -0.00184 -0.00133 0.00203 0.00568 -0.01013 28 4PZ 0.01340 -0.00110 0.00936 -0.00647 0.00773 29 5PX 0.05713 0.00081 -0.00239 -0.03535 0.04332 30 5PY 0.00851 -0.00316 -0.00515 0.00497 0.02822 31 5PZ -0.03486 -0.01449 -0.01972 0.01591 -0.03522 32 6PX -0.03393 0.00318 0.02112 -0.01220 0.00805 33 6PY -0.02291 0.00231 0.01294 0.00936 0.00553 34 6PZ 0.02697 0.01513 0.03201 0.00881 -0.01015 35 7D 0 0.00560 0.03052 -0.12418 -0.00755 0.02696 36 7D+1 0.14554 -0.00357 0.04913 -0.03369 0.05913 37 7D-1 0.02345 0.01146 0.03935 -0.02736 0.09354 38 7D+2 -0.10621 -0.03112 0.02490 0.01356 0.04096 39 7D-2 -0.04056 -0.01648 0.05930 0.05136 -0.06324 40 8D 0 0.00204 0.00956 -0.04576 -0.00384 0.01083 41 8D+1 0.05469 -0.00081 0.01700 -0.01162 0.02087 42 8D-1 0.00725 0.00467 0.01569 -0.00846 0.03254 43 8D+2 -0.04158 -0.01159 0.00803 0.00479 0.01489 44 8D-2 -0.01469 -0.00507 0.02291 0.01595 -0.02023 45 3 Cu 1S 0.00005 -0.00032 0.00260 -0.00008 0.00147 46 2S -0.03911 -0.08479 0.03792 0.00233 0.02399 47 3S -0.08775 -0.21040 0.12734 -0.18121 0.13515 48 4PX 0.01918 -0.00060 -0.00402 -0.00661 0.00363 49 4PY 0.00431 -0.01404 0.00305 0.01706 -0.00206 50 4PZ 0.00300 0.01061 -0.00223 0.01154 -0.00571 51 5PX -0.00415 -0.02455 0.02114 -0.00768 0.01549 52 5PY 0.01388 0.02554 -0.03580 0.00552 -0.02265 53 5PZ -0.03469 -0.07897 0.02292 -0.04817 0.03045 54 6PX 0.06172 -0.00305 0.00198 -0.01111 0.01031 55 6PY 0.01007 -0.05603 -0.00985 0.02518 -0.01321 56 6PZ -0.02158 -0.03598 -0.00035 0.00280 -0.00084 57 7D 0 0.04590 0.02836 -0.03360 -0.25212 0.06556 58 7D+1 -0.17509 0.02753 0.01144 0.03651 -0.02802 59 7D-1 -0.06397 0.12841 0.01354 -0.16373 0.04812 60 7D+2 -0.12697 0.06375 -0.01403 -0.02790 -0.08698 61 7D-2 0.07884 -0.00245 -0.09610 -0.02320 0.00663 62 8D 0 0.01420 0.00629 -0.01261 -0.08752 0.02235 63 8D+1 -0.06000 0.00841 0.00411 0.01026 -0.00934 64 8D-1 -0.02156 0.04437 0.00476 -0.05270 0.01503 65 8D+2 -0.04349 0.02181 -0.00544 -0.00953 -0.03054 66 8D-2 0.02709 -0.00071 -0.03411 -0.00712 0.00144 67 4 Cu 1S 0.00005 0.00003 -0.00072 0.00514 -0.00207 68 2S -0.00273 -0.00100 0.00628 -0.03862 0.01980 69 3S -0.00369 -0.00122 -0.01347 0.10619 -0.03762 70 4PX 0.00234 -0.00094 0.00084 0.00528 -0.00583 71 4PY 0.00050 -0.00097 0.00304 -0.01183 0.00404 72 4PZ -0.00119 -0.00235 0.00306 0.00231 0.00142 73 5PX 0.00365 -0.00216 -0.00810 0.00224 0.01568 74 5PY 0.00331 -0.00101 -0.00728 0.00561 0.00231 75 5PZ -0.00272 -0.00447 -0.01554 -0.00625 -0.00858 76 6PX 0.00160 -0.00122 0.00169 0.02721 -0.02118 77 6PY 0.00084 -0.00089 0.01200 -0.05678 0.01914 78 6PZ -0.00099 -0.00278 0.01001 0.00931 0.00359 79 7D 0 0.00050 -0.00673 -0.00639 0.06518 -0.02961 80 7D+1 -0.00682 0.01251 -0.01680 -0.01128 0.00539 81 7D-1 -0.01472 -0.01564 0.02154 0.02853 0.01326 82 7D+2 -0.01216 0.01306 -0.02930 0.06882 -0.00578 83 7D-2 0.01341 0.00141 -0.00896 0.08892 -0.06072 84 8D 0 -0.00019 -0.00381 -0.00216 0.02448 -0.01101 85 8D+1 -0.00391 0.00419 -0.00619 -0.00412 0.00231 86 8D-1 -0.00532 -0.00450 0.00775 0.01061 0.00485 87 8D+2 -0.00313 0.00444 -0.01082 0.02571 -0.00254 88 8D-2 0.00417 0.00142 -0.00355 0.03338 -0.02254 89 5 Cu 1S -0.00111 -0.00274 0.00183 0.00116 0.00079 90 2S 0.03626 0.08810 0.02480 0.09727 -0.01742 91 3S 0.02086 0.05250 0.10899 0.18591 0.00455 92 4PX 0.00415 0.00277 0.00246 -0.00366 -0.00799 93 4PY -0.00003 -0.00394 0.00627 0.00468 -0.00331 94 4PZ 0.00887 0.02196 0.00433 0.01811 -0.00252 95 5PX 0.00650 -0.01391 -0.00244 -0.00291 0.01969 96 5PY 0.00835 0.00429 -0.02089 0.00380 -0.00336 97 5PZ -0.02637 -0.05984 -0.03132 -0.06621 0.00130 98 6PX -0.01172 0.00551 0.02019 -0.01474 -0.02673 99 6PY -0.00278 0.01065 0.00293 0.00178 -0.02050 100 6PZ 0.02110 0.04398 -0.00597 -0.01513 0.00425 101 7D 0 0.06430 0.16581 0.02057 0.09685 0.00421 102 7D+1 0.04731 0.02690 0.04138 -0.05997 -0.11693 103 7D-1 0.00707 -0.03217 0.08967 0.06444 -0.04616 104 7D+2 0.01476 -0.00078 -0.03938 -0.01588 0.00877 105 7D-2 -0.00506 0.00232 -0.01769 -0.02693 -0.03789 106 8D 0 0.02470 0.06257 0.00690 0.03276 0.00202 107 8D+1 0.01641 0.01175 0.01563 -0.02060 -0.04316 108 8D-1 0.00103 -0.01336 0.03189 0.02043 -0.01621 109 8D+2 0.00626 0.00015 -0.01533 -0.00599 0.00498 110 8D-2 -0.00215 0.00169 -0.00607 -0.01174 -0.01450 111 6 Cu 1S 0.00002 0.00003 0.00049 -0.00353 0.00144 112 2S -0.00173 -0.00045 -0.02372 0.17194 -0.06796 113 3S 0.00234 0.00055 -0.01753 0.11671 -0.05474 114 4PX 0.01275 -0.00667 -0.00149 0.00376 -0.00056 115 4PY 0.00744 -0.00448 0.00014 -0.00552 0.00338 116 4PZ -0.00806 -0.01474 -0.00179 -0.00030 -0.00085 117 5PX 0.01054 -0.00406 0.00086 -0.06308 0.04444 118 5PY 0.00221 -0.00447 -0.02459 0.12806 -0.04806 119 5PZ -0.00535 -0.01038 -0.01444 -0.01857 -0.00462 120 6PX -0.00202 -0.00024 -0.04188 0.02346 0.06227 121 6PY 0.00022 0.00003 -0.02853 0.00107 0.03228 122 6PZ 0.00094 -0.00014 -0.07463 -0.02616 -0.04248 123 7D 0 -0.01691 0.05336 0.61543 0.37836 0.10228 124 7D+1 0.04975 -0.33131 -0.15046 0.19879 0.63924 125 7D-1 0.37615 0.48252 -0.21321 0.12756 0.21828 126 7D+2 0.43245 -0.33233 -0.10639 0.10607 -0.31686 127 7D-2 -0.35752 0.05760 -0.40660 0.28754 -0.06351 128 8D 0 -0.00579 0.01582 0.19481 0.12147 0.03192 129 8D+1 0.01480 -0.10768 -0.04674 0.06283 0.20260 130 8D-1 0.12208 0.15754 -0.06891 0.04039 0.06813 131 8D+2 0.14156 -0.10796 -0.03293 0.03503 -0.10186 132 8D-2 -0.11659 0.01962 -0.12945 0.09366 -0.02013 133 7 Cu 1S -0.00171 0.00244 -0.00191 0.00073 0.00103 134 2S 0.05573 -0.07837 -0.04706 0.08886 -0.01273 135 3S 0.03258 -0.04744 -0.14496 0.15708 0.02131 136 4PX -0.00773 0.01289 0.00751 -0.01618 -0.00218 137 4PY -0.00967 0.01416 -0.00050 -0.00520 0.00146 138 4PZ -0.00763 0.00568 0.00888 -0.00390 0.00781 139 5PX 0.02929 -0.03147 -0.03739 0.04057 0.01536 140 5PY 0.02765 -0.03512 -0.01137 0.03828 -0.00863 141 5PZ 0.00560 -0.02766 -0.02930 0.01585 -0.01044 142 6PX -0.02936 0.02827 -0.01659 -0.00010 -0.00944 143 6PY -0.01344 0.01416 -0.00333 0.01396 -0.00962 144 6PZ -0.00205 0.02465 0.01529 0.01902 0.02855 145 7D 0 -0.01066 0.05191 -0.01336 -0.06594 -0.09112 146 7D+1 0.05776 -0.05620 -0.11844 0.03816 -0.06022 147 7D-1 0.07006 -0.04796 -0.01799 -0.00191 -0.03788 148 7D+2 -0.00042 -0.00621 -0.04106 0.09008 0.04522 149 7D-2 0.06936 -0.12199 0.03145 0.03778 0.00554 150 8D 0 -0.00503 0.01825 -0.00488 -0.02503 -0.03343 151 8D+1 0.02009 -0.02127 -0.04290 0.01192 -0.02266 152 8D-1 0.02647 -0.01882 -0.00577 -0.00009 -0.01252 153 8D+2 -0.00044 -0.00079 -0.01264 0.02953 0.01767 154 8D-2 0.02737 -0.04662 0.01180 0.01215 0.00189 155 8 Cu 1S 0.00056 0.00010 0.00004 -0.00192 -0.00241 156 2S 0.08576 0.00934 0.00101 -0.02423 -0.03570 157 3S 0.22962 0.02766 0.02684 -0.25296 -0.03045 158 4PX -0.01199 -0.01096 -0.00215 0.00390 0.00298 159 4PY 0.00976 -0.00558 -0.00396 0.01490 -0.01409 160 4PZ 0.00584 -0.01595 -0.00188 -0.00901 0.00433 161 5PX 0.08161 0.00627 0.00616 -0.06155 -0.01216 162 5PY -0.00963 -0.00362 -0.00023 0.01762 0.03071 163 5PZ -0.04254 -0.01069 -0.00413 0.02857 -0.00543 164 6PX 0.01574 -0.02867 -0.00089 -0.01109 0.00089 165 6PY 0.06098 -0.01411 -0.00584 0.03045 -0.00715 166 6PZ -0.02469 -0.05553 -0.00318 -0.00731 0.00272 167 7D 0 -0.01218 -0.13663 -0.00200 0.00386 0.06181 168 7D+1 -0.00501 0.13872 0.02263 0.15748 -0.08450 169 7D-1 0.07063 -0.09463 -0.08044 0.14052 -0.05572 170 7D+2 0.01334 0.13842 0.05398 0.00446 0.05432 171 7D-2 -0.09672 0.02200 0.01289 -0.14566 0.16810 172 8D 0 -0.00450 -0.04649 -0.00121 0.00268 0.02137 173 8D+1 -0.00478 0.04696 0.00785 0.05524 -0.03003 174 8D-1 0.02366 -0.03245 -0.02752 0.04684 -0.01798 175 8D+2 0.00686 0.04754 0.01912 -0.00003 0.02074 176 8D-2 -0.03238 0.00745 0.00417 -0.04696 0.05729 177 9 C 1S -0.00090 -0.00032 0.00119 -0.00889 0.00318 178 2S 0.00226 0.00075 -0.00101 0.00813 -0.00236 179 3S 0.00226 0.00093 -0.01523 0.11043 -0.04319 180 4PX 0.02460 -0.01263 0.00818 -0.01557 -0.00505 181 4PY 0.01379 -0.00849 0.00137 0.02421 -0.01279 182 4PZ -0.01536 -0.02798 0.01241 0.00153 0.00715 183 5PX 0.02368 -0.01140 0.00923 -0.01674 -0.00543 184 5PY 0.01108 -0.00874 0.00149 0.02522 -0.01632 185 5PZ -0.01403 -0.02599 0.01400 0.00152 0.00886 186 10 O 1S 0.00007 0.00004 -0.00029 0.00217 -0.00079 187 2S -0.00034 -0.00015 0.00080 -0.00588 0.00215 188 3S 0.00061 0.00002 0.00172 -0.01285 0.00455 189 4PX -0.07568 0.03575 -0.01888 0.02280 0.01838 190 4PY -0.03334 0.02699 -0.00834 -0.02613 0.02006 191 4PZ 0.04421 0.08142 -0.03132 -0.00865 -0.01624 192 5PX -0.04569 0.02146 -0.01086 0.01356 0.01053 193 5PY -0.01974 0.01650 -0.00463 -0.01605 0.01222 194 5PZ 0.02655 0.04906 -0.01803 -0.00471 -0.00967 46 47 48 49 50 O O O O O EIGENVALUES -- -0.32136 -0.30924 -0.30751 -0.30749 -0.29897 1 1 Cu 1S -0.00061 0.00011 -0.00132 0.00146 -0.00192 2 2S 0.03248 -0.06677 -0.06173 0.06581 -0.02903 3 3S -0.01144 0.00500 -0.18212 0.19255 -0.05861 4 4PX 0.01070 -0.00400 -0.01200 -0.00035 -0.00382 5 4PY -0.01169 0.00294 -0.00583 0.00178 0.00083 6 4PZ 0.00262 -0.00139 0.01161 0.01665 0.00224 7 5PX -0.00159 0.01799 0.06081 -0.03774 0.00671 8 5PY -0.01568 0.00923 0.03146 -0.02459 0.00218 9 5PZ -0.00268 0.00945 -0.00513 -0.05488 0.01261 10 6PX 0.02623 0.03339 -0.02229 -0.00831 -0.02225 11 6PY -0.05073 -0.02200 0.02754 -0.04017 -0.01641 12 6PZ 0.00372 0.01098 0.03842 0.03043 0.06903 13 7D 0 -0.02516 -0.27673 0.13453 0.34841 -0.06568 14 7D+1 0.13553 0.21960 0.26024 0.12764 -0.20560 15 7D-1 -0.10117 0.12673 0.15227 0.09807 0.34043 16 7D+2 0.27320 -0.12165 -0.17762 -0.00404 0.07387 17 7D-2 -0.15169 0.04775 -0.16129 -0.04886 0.01287 18 8D 0 -0.00956 -0.09348 0.04565 0.11617 -0.02342 19 8D+1 0.04608 0.07555 0.08698 0.04411 -0.06880 20 8D-1 -0.03412 0.04244 0.04855 0.03234 0.11420 21 8D+2 0.09129 -0.03853 -0.05977 -0.00203 0.02441 22 8D-2 -0.05226 0.01597 -0.05484 -0.01423 0.00479 23 2 Cu 1S 0.00289 -0.00325 -0.00074 -0.00252 0.00211 24 2S 0.02076 -0.04923 0.01162 0.03567 0.03606 25 3S 0.06372 -0.15193 -0.01283 -0.04572 0.12055 26 4PX -0.00259 -0.00832 0.00575 0.00721 0.00689 27 4PY 0.00431 0.01235 0.00061 -0.00557 -0.00224 28 4PZ -0.00034 -0.00012 0.00455 -0.00443 -0.00135 29 5PX -0.00548 0.04545 -0.01213 -0.00044 -0.03179 30 5PY -0.02365 -0.02166 -0.01119 -0.01056 0.00159 31 5PZ 0.01293 -0.01788 -0.01572 0.01305 0.01319 32 6PX -0.03191 0.00485 0.02119 0.03067 -0.00420 33 6PY 0.02425 0.04218 0.01112 0.00950 0.03161 34 6PZ 0.00846 -0.01968 0.01123 -0.03021 -0.01097 35 7D 0 0.01611 0.05764 -0.04981 -0.07936 -0.00291 36 7D+1 0.06837 -0.02323 0.02805 -0.09855 -0.00663 37 7D-1 -0.02969 -0.11288 -0.04119 0.07428 0.11516 38 7D+2 -0.08487 -0.04929 0.08262 0.06310 0.17551 39 7D-2 0.02923 0.18719 -0.05818 -0.15980 -0.05524 40 8D 0 0.00731 0.02056 -0.01691 -0.02912 -0.00017 41 8D+1 0.02562 -0.00683 0.00888 -0.03735 -0.00360 42 8D-1 -0.00965 -0.03767 -0.01590 0.02314 0.03841 43 8D+2 -0.02964 -0.01653 0.02879 0.02128 0.06079 44 8D-2 0.01194 0.06438 -0.02051 -0.05444 -0.01658 45 3 Cu 1S -0.00063 0.00013 0.00192 0.00045 -0.00099 46 2S 0.03127 -0.06534 0.08911 0.01911 -0.01480 47 3S -0.01394 0.00847 0.25795 0.05679 -0.03103 48 4PX 0.00756 -0.00189 0.00369 -0.01901 -0.00434 49 4PY -0.01409 0.00440 0.00148 -0.01019 -0.00087 50 4PZ -0.00267 0.00179 -0.01056 -0.00026 0.00116 51 5PX 0.00600 -0.00065 -0.00608 0.03980 -0.00873 52 5PY -0.00986 -0.00361 0.00602 0.02320 -0.00657 53 5PZ 0.00991 -0.02081 0.08584 0.01480 -0.00508 54 6PX 0.02749 0.01792 0.03288 -0.04094 -0.07820 55 6PY -0.04999 -0.03447 -0.03158 -0.03318 -0.04744 56 6PZ 0.00593 -0.01739 0.01932 0.00909 0.00646 57 7D 0 -0.00111 0.23204 -0.00500 -0.08050 0.03424 58 7D+1 -0.16168 0.10116 -0.15273 0.42236 -0.01534 59 7D-1 0.30835 -0.06849 0.00186 0.23806 -0.02050 60 7D+2 -0.06794 -0.15670 0.12119 0.00908 0.41460 61 7D-2 -0.04274 -0.24906 0.16912 0.10065 -0.24750 62 8D 0 -0.00089 0.07946 0.00084 -0.02627 0.01199 63 8D+1 -0.05428 0.03305 -0.05022 0.14125 -0.00587 64 8D-1 0.10377 -0.02065 -0.00002 0.07914 -0.00758 65 8D+2 -0.02380 -0.05308 0.04109 0.00103 0.13872 66 8D-2 -0.01585 -0.08397 0.05627 0.03499 -0.08345 67 4 Cu 1S 0.00026 0.00233 0.00001 0.00008 0.00004 68 2S 0.11590 -0.03671 0.00093 0.00057 0.00110 69 3S 0.14764 0.08152 0.00151 0.00383 0.00305 70 4PX -0.01188 0.00270 0.00123 -0.00477 0.00988 71 4PY 0.02243 -0.00487 0.00134 -0.00228 0.00501 72 4PZ -0.00233 0.00049 0.00524 0.00168 -0.00505 73 5PX 0.03963 0.00184 0.00388 -0.01259 -0.02627 74 5PY -0.07418 -0.00325 0.00270 -0.00750 -0.01392 75 5PZ 0.00743 0.00042 0.01468 0.00485 0.01355 76 6PX -0.01522 -0.00151 -0.00642 0.02285 0.05152 77 6PY 0.02874 0.00228 -0.00620 0.01125 0.02485 78 6PZ -0.00297 -0.00053 -0.02595 -0.00802 -0.02597 79 7D 0 -0.08581 -0.00056 -0.06129 -0.00692 0.01980 80 7D+1 0.01236 0.00049 -0.04163 -0.05530 0.06897 81 7D-1 -0.02438 0.00031 0.07705 0.00369 -0.06406 82 7D+2 -0.08434 -0.00142 -0.01485 0.08113 -0.16727 83 7D-2 -0.12476 -0.00001 0.03308 -0.05576 0.11473 84 8D 0 -0.03251 -0.00070 -0.02202 -0.00242 0.00748 85 8D+1 0.00464 0.00027 -0.01400 -0.02002 0.02735 86 8D-1 -0.00918 -0.00004 0.02604 0.00056 -0.02097 87 8D+2 -0.03187 -0.00099 -0.00464 0.02762 -0.05951 88 8D-2 -0.04728 -0.00074 0.01182 -0.01896 0.04046 89 5 Cu 1S 0.00253 -0.00319 0.00262 0.00058 -0.00068 90 2S 0.02312 -0.04911 -0.03568 -0.00829 -0.01178 91 3S 0.05455 -0.15105 0.05098 0.01007 -0.03953 92 4PX -0.00182 -0.00694 -0.00284 -0.00693 0.00550 93 4PY 0.00416 0.01276 0.00736 -0.00143 0.00470 94 4PZ -0.00016 -0.00306 -0.00676 -0.00093 -0.00247 95 5PX 0.00741 0.01947 -0.00876 0.01910 -0.01431 96 5PY -0.01799 -0.03009 0.00738 0.01255 -0.01233 97 5PZ -0.01677 0.03897 0.00963 0.00040 0.01205 98 6PX -0.01638 -0.01601 0.00177 -0.02095 0.00296 99 6PY 0.02927 0.03628 -0.00027 -0.00988 -0.01032 100 6PZ -0.02064 0.02613 -0.04552 -0.00803 -0.00405 101 7D 0 -0.06889 0.09087 -0.02917 0.00148 -0.03700 102 7D+1 -0.04424 -0.08663 -0.09797 -0.06435 0.10376 103 7D-1 0.07082 0.18479 0.17850 0.01236 0.14006 104 7D+2 -0.00398 0.02022 0.06461 -0.06527 0.07289 105 7D-2 0.00846 0.05926 0.09086 0.07141 -0.06390 106 8D 0 -0.02481 0.03032 -0.01322 -0.00032 -0.01343 107 8D+1 -0.01621 -0.02975 -0.03396 -0.02154 0.03532 108 8D-1 0.02541 0.06289 0.05997 0.00409 0.04730 109 8D+2 0.00007 0.00778 0.02425 -0.02306 0.02480 110 8D-2 0.00530 0.02150 0.03351 0.02596 -0.02226 111 6 Cu 1S -0.00026 0.00148 -0.00003 -0.00004 -0.00002 112 2S 0.04021 0.08105 0.00069 0.00252 0.00068 113 3S -0.23204 0.31877 -0.00205 0.00234 0.00000 114 4PX -0.01581 0.00583 0.00053 -0.00285 0.00030 115 4PY 0.03068 -0.01072 0.00096 -0.00098 0.00026 116 4PZ -0.00359 0.00104 0.00287 0.00094 -0.00014 117 5PX 0.08930 -0.07767 0.00986 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157 3S -0.00044 0.01029 -0.07953 -0.25396 0.08420 158 4PX 0.00359 -0.00042 0.01245 0.00472 -0.00046 159 4PY -0.01455 0.00484 0.00795 0.00090 -0.00434 160 4PZ 0.00373 -0.00147 0.01538 -0.01110 0.00101 161 5PX 0.01674 -0.01483 -0.03998 -0.05557 0.00979 162 5PY -0.00877 -0.00859 -0.02402 -0.02578 0.00821 163 5PZ -0.00600 0.01161 -0.02081 0.05948 -0.01158 164 6PX 0.02812 0.00257 0.01513 -0.03971 -0.01074 165 6PY -0.04968 -0.03803 0.02776 0.02598 0.00835 166 6PZ 0.00375 0.01474 0.04477 -0.00749 -0.01907 167 7D 0 0.00003 -0.18061 0.35580 -0.25418 -0.01156 168 7D+1 0.02381 -0.29198 -0.18730 -0.04573 0.10063 169 7D-1 -0.21642 -0.11887 -0.06298 -0.03970 -0.16684 170 7D+2 -0.22510 0.05640 -0.12708 -0.00262 -0.13466 171 7D-2 0.16152 -0.13477 -0.24704 -0.08583 -0.02146 172 8D 0 -0.00100 -0.06070 0.11923 -0.08495 -0.00278 173 8D+1 0.00770 -0.09910 -0.06096 -0.01363 0.03500 174 8D-1 -0.07341 -0.04193 -0.02265 -0.01271 -0.05561 175 8D+2 -0.07661 0.01806 -0.04178 -0.00303 -0.04563 176 8D-2 0.05324 -0.04352 -0.08331 -0.02889 -0.00639 177 9 C 1S -0.02359 0.00149 -0.00025 -0.00044 -0.00011 178 2S 0.05576 -0.00975 0.00069 0.00117 0.00010 179 3S 0.04611 0.03683 -0.00010 0.00030 0.00108 180 4PX -0.03530 0.00254 -0.00502 0.01799 0.01189 181 4PY 0.07222 -0.00609 -0.00402 0.00978 0.00552 182 4PZ -0.00904 0.00093 -0.02005 -0.00679 -0.00602 183 5PX 0.00420 -0.01826 -0.00722 0.02741 0.00410 184 5PY -0.00795 0.03488 -0.00735 0.01384 0.00197 185 5PZ 0.00109 -0.00427 -0.03039 -0.00994 -0.00216 186 10 O 1S 0.00393 -0.00023 0.00004 0.00006 0.00002 187 2S -0.01345 -0.00117 -0.00018 -0.00035 0.00000 188 3S -0.00742 0.00832 0.00010 0.00079 -0.00019 189 4PX 0.02653 0.00107 0.01006 -0.03877 -0.02024 190 4PY -0.05415 0.00015 0.00954 -0.01843 -0.00891 191 4PZ 0.00644 -0.00039 0.04204 0.01396 0.01014 192 5PX 0.00634 0.00198 0.00717 -0.02803 -0.01130 193 5PY -0.01283 -0.00247 0.00722 -0.01278 -0.00514 194 5PZ 0.00132 0.00019 0.03031 0.00990 0.00571 51 52 53 54 55 O O O O O EIGENVALUES -- -0.29892 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0.03952 -0.09344 -0.04147 0.03671 21 8D+2 0.06140 0.02838 -0.04106 -0.03703 -0.01009 22 8D-2 -0.07324 0.11808 0.03028 -0.06280 0.02821 23 2 Cu 1S 0.00040 0.00004 -0.00001 0.00013 0.00097 24 2S 0.00681 -0.00488 0.00020 -0.01073 -0.08383 25 3S 0.02263 -0.00659 0.00022 -0.01418 -0.11260 26 4PX -0.00243 -0.00190 0.00379 -0.00401 -0.00948 27 4PY -0.00301 0.00073 0.00264 -0.00163 0.00287 28 4PZ -0.00664 0.00077 0.00646 -0.00414 0.00523 29 5PX 0.00397 0.00504 -0.00648 0.00473 0.03823 30 5PY 0.00732 -0.00635 -0.00444 -0.00128 -0.01006 31 5PZ 0.01956 -0.00039 -0.01095 -0.00247 -0.01807 32 6PX 0.00038 0.00873 0.00608 0.00876 -0.00623 33 6PY 0.00695 -0.00962 0.00437 0.01029 0.03049 34 6PZ 0.00022 -0.00128 0.01053 0.01499 -0.01210 35 7D 0 0.11627 -0.06681 -0.19377 0.16872 -0.01841 36 7D+1 -0.10830 0.00112 0.16287 -0.18609 -0.01922 37 7D-1 0.09234 -0.06402 -0.09535 0.12881 -0.10415 38 7D+2 -0.07010 -0.10139 0.15284 -0.18355 -0.01698 39 7D-2 -0.04461 -0.06226 0.06408 -0.02892 0.08639 40 8D 0 0.03962 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100 6PZ -0.01108 0.00539 0.00131 -0.01004 -0.00220 101 7D 0 -0.02570 -0.04942 0.04352 -0.04484 -0.06201 102 7D+1 -0.13360 -0.01787 -0.24011 -0.04394 0.21742 103 7D-1 0.13832 0.05068 -0.14321 -0.15061 0.08249 104 7D+2 -0.08812 -0.07898 -0.14012 -0.05530 0.18317 105 7D-2 -0.03617 -0.10623 0.06598 0.04865 -0.08940 106 8D 0 -0.01109 -0.01743 0.01478 -0.01615 -0.02104 107 8D+1 -0.04522 -0.00572 -0.08156 -0.01421 0.07196 108 8D-1 0.04610 0.01641 -0.04850 -0.05066 0.02698 109 8D+2 -0.03069 -0.02714 -0.04644 -0.01894 0.06112 110 8D-2 -0.01333 -0.03665 0.02163 0.01563 -0.03031 111 6 Cu 1S -0.00001 -0.00216 0.00000 0.00001 0.00003 112 2S 0.00046 0.02472 -0.00001 -0.00031 -0.00073 113 3S 0.00002 -0.10987 0.00003 0.00063 0.00019 114 4PX -0.00026 -0.01033 -0.00011 -0.00334 0.00722 115 4PY -0.00014 0.02064 -0.00008 -0.00271 0.00321 116 4PZ -0.00055 -0.00272 -0.00014 -0.00807 -0.00426 117 5PX 0.00478 0.05027 0.00027 0.00068 -0.00168 118 5PY 0.00385 -0.09874 0.00022 0.00122 -0.00030 119 5PZ 0.01282 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139 5PX 0.00702 0.00211 -0.00568 -0.01219 0.00941 140 5PY 0.01961 -0.00781 -0.00199 -0.03095 0.02351 141 5PZ 0.02086 -0.00041 0.01227 -0.01028 0.00746 142 6PX -0.02065 0.00296 0.00545 -0.02464 0.00865 143 6PY 0.01640 -0.01376 0.00183 0.01515 -0.01501 144 6PZ -0.00520 -0.00043 -0.01189 0.00445 0.01936 145 7D 0 0.07934 -0.07312 0.15218 0.06041 0.11423 146 7D+1 -0.03527 0.05094 0.07502 0.08464 -0.01895 147 7D-1 0.15265 -0.02931 0.23914 0.16077 0.22623 148 7D+2 -0.10710 -0.00567 -0.01383 0.09074 -0.05666 149 7D-2 0.04540 -0.11948 -0.13077 -0.08358 -0.11082 150 8D 0 0.02723 -0.02523 0.05190 0.02010 0.03745 151 8D+1 -0.01130 0.01697 0.02605 0.02830 -0.00700 152 8D-1 0.05255 -0.00998 0.08012 0.05379 0.07520 153 8D+2 -0.03502 -0.00299 -0.00515 0.03127 -0.01931 154 8D-2 0.01695 -0.04105 -0.04402 -0.02690 -0.03750 155 8 Cu 1S 0.00054 0.00166 0.00000 0.00003 0.00023 156 2S 0.00843 -0.02812 -0.00022 0.00772 0.05998 157 3S 0.01577 0.15297 -0.00005 0.00019 0.00036 158 4PX 0.00208 -0.00066 0.00506 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0.04006 -0.00001 -0.00018 -0.00046 179 3S 0.00046 0.06879 -0.00002 -0.00029 -0.00096 180 4PX -0.00438 -0.02608 0.00016 0.00413 -0.00822 181 4PY -0.00351 0.05237 0.00009 0.00298 -0.00420 182 4PZ -0.01226 -0.00593 0.00024 0.00980 0.00510 183 5PX -0.00108 -0.00251 0.00002 0.00246 -0.00498 184 5PY -0.00094 0.00400 0.00002 0.00188 -0.00262 185 5PZ -0.00328 0.00007 0.00009 0.00575 0.00301 186 10 O 1S 0.00001 0.00397 0.00000 -0.00002 -0.00003 187 2S -0.00002 -0.01201 0.00000 0.00005 0.00010 188 3S -0.00013 -0.01392 0.00000 0.00005 -0.00005 189 4PX 0.00720 0.02128 -0.00028 -0.00736 0.01504 190 4PY 0.00592 -0.04151 -0.00017 -0.00560 0.00672 191 4PZ 0.02040 0.00393 -0.00042 -0.01756 -0.00893 192 5PX 0.00396 0.00664 -0.00015 -0.00433 0.00888 193 5PY 0.00323 -0.01230 -0.00010 -0.00337 0.00386 194 5PZ 0.01122 0.00075 -0.00023 -0.01033 -0.00521 56 57 58 59 60 O O O O O EIGENVALUES -- -0.28481 -0.28474 -0.27424 -0.27422 -0.26738 1 1 Cu 1S 0.00062 0.00090 0.00035 -0.00090 0.00000 2 2S 0.03372 0.04559 0.00315 -0.00695 -0.00015 3 3S 0.04092 0.05804 0.03217 -0.07875 -0.00049 4 4PX 0.00430 0.00274 -0.00231 -0.00343 -0.00523 5 4PY 0.00148 0.00106 -0.00075 -0.00111 -0.00170 6 4PZ -0.00170 0.00430 0.00766 0.00170 0.01157 7 5PX -0.01376 -0.02884 0.00540 0.02834 0.03136 8 5PY -0.00128 -0.00433 0.00359 0.00267 0.01017 9 5PZ -0.01879 -0.00509 -0.03572 -0.00176 -0.06932 10 6PX 0.06298 0.03396 -0.04383 0.05495 0.02651 11 6PY -0.02897 -0.05698 0.01151 -0.04974 0.00862 12 6PZ -0.04359 0.05615 0.03543 0.03850 -0.05863 13 7D 0 -0.16381 -0.18645 -0.10503 0.09470 -0.17670 14 7D+1 0.13117 0.10412 -0.11110 0.08551 -0.12469 15 7D-1 -0.22370 0.02832 0.08021 -0.11021 -0.15832 16 7D+2 -0.03470 0.03464 -0.13073 0.45698 0.05251 17 7D-2 -0.16738 -0.37000 0.02732 -0.07567 0.10281 18 8D 0 -0.05405 -0.06271 -0.03453 0.03138 -0.05767 19 8D+1 0.04358 0.03459 -0.03603 0.02738 -0.04087 20 8D-1 -0.07152 0.00930 0.02602 -0.03599 -0.05119 21 8D+2 -0.01240 0.00991 -0.04265 0.14888 0.01729 22 8D-2 -0.05496 -0.12020 0.00884 -0.02427 0.03336 23 2 Cu 1S 0.00101 -0.00230 0.00097 0.00122 0.00001 24 2S -0.02101 0.04781 0.00494 0.00633 -0.00015 25 3S 0.00107 -0.00238 0.06089 0.07641 -0.00005 26 4PX -0.00319 0.00446 0.00149 0.00115 -0.00178 27 4PY -0.00265 0.00388 -0.00244 -0.00351 -0.00124 28 4PZ 0.00025 -0.00543 0.00103 0.00003 -0.00303 29 5PX 0.00351 -0.00763 -0.02050 -0.00686 -0.00120 30 5PY 0.00182 -0.00347 -0.01715 -0.00814 -0.00096 31 5PZ -0.00239 0.00602 -0.00486 0.02644 -0.00215 32 6PX -0.02254 -0.00859 -0.00284 -0.02738 -0.00669 33 6PY -0.03565 0.03779 0.02197 0.01066 -0.00476 34 6PZ -0.02952 -0.03596 0.02270 -0.01259 -0.01155 35 7D 0 0.04660 0.08494 0.21212 -0.07157 -0.20068 36 7D+1 0.04175 -0.01506 0.07792 0.17450 -0.08711 37 7D-1 -0.09635 -0.02578 0.06605 0.20615 0.26377 38 7D+2 0.01765 0.09021 0.02526 0.05634 -0.13823 39 7D-2 -0.09640 0.05442 -0.14428 0.01705 0.17139 40 8D 0 0.01608 0.03039 0.07025 -0.02225 -0.06743 41 8D+1 0.01400 -0.00540 0.02758 0.05922 -0.02903 42 8D-1 -0.03314 -0.00831 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0.01145 0.00160 -0.01463 63 8D+1 0.02692 0.01898 -0.08100 -0.00903 0.08143 64 8D-1 -0.05549 0.02422 0.14197 -0.03113 0.04360 65 8D+2 0.09080 0.04726 0.01519 0.01896 0.01594 66 8D-2 0.11198 -0.04613 0.04074 -0.02427 -0.00127 67 4 Cu 1S 0.00001 0.00000 -0.00001 0.00000 0.00000 68 2S 0.00107 -0.00125 0.00047 0.00052 0.00000 69 3S 0.00220 -0.00197 0.00065 0.00087 -0.00001 70 4PX -0.00142 -0.00919 0.00003 0.00067 -0.00001 71 4PY -0.00162 -0.00494 0.00001 0.00043 0.00000 72 4PZ -0.01041 0.00205 -0.00081 0.00007 0.00003 73 5PX 0.00300 0.01768 -0.00067 -0.00667 -0.00001 74 5PY 0.00278 0.00988 0.00013 -0.00400 0.00000 75 5PZ 0.02019 -0.00396 0.00781 -0.00047 -0.00001 76 6PX 0.00392 0.02640 0.00381 0.03427 -0.00003 77 6PY 0.00470 0.01374 -0.00158 0.01874 -0.00001 78 6PZ 0.02976 -0.00589 -0.03898 0.00250 0.00005 79 7D 0 -0.11147 -0.02032 -0.04263 0.00846 0.00045 80 7D+1 0.13904 0.15464 -0.07547 -0.00567 -0.00003 81 7D-1 -0.27651 0.14751 0.12457 -0.01242 0.00060 82 7D+2 0.11266 0.23620 0.00877 0.12498 -0.00019 83 7D-2 0.06467 -0.15325 -0.00700 -0.08611 -0.00033 84 8D 0 -0.03927 -0.00694 -0.01517 0.00322 0.00016 85 8D+1 0.04617 0.05370 -0.02490 -0.00324 -0.00001 86 8D-1 -0.09222 0.05025 0.04004 -0.00472 0.00020 87 8D+2 0.03820 0.07841 0.00333 0.04052 -0.00007 88 8D-2 0.02259 -0.05077 -0.00163 -0.02823 -0.00011 89 5 Cu 1S -0.00256 0.00027 -0.00158 0.00023 0.00000 90 2S 0.05104 -0.00480 -0.00908 0.00108 -0.00007 91 3S -0.00471 0.00188 -0.09928 0.01398 0.00026 92 4PX -0.00074 -0.00205 -0.00226 -0.00049 0.00327 93 4PY 0.00249 -0.00134 0.00400 -0.00109 0.00172 94 4PZ 0.00819 -0.00059 0.00001 0.00006 -0.00033 95 5PX -0.00036 0.00038 0.00123 0.02199 0.00242 96 5PY -0.00149 0.00036 0.01137 0.00997 0.00138 97 5PZ -0.01060 0.00071 0.02862 -0.00632 -0.00029 98 6PX -0.02407 -0.04272 0.01035 -0.02933 0.01235 99 6PY 0.03976 -0.02792 -0.02678 -0.01071 0.00658 100 6PZ 0.02659 0.00157 0.01544 0.00056 -0.00137 101 7D 0 0.08815 -0.00088 0.18872 -0.06504 0.02422 102 7D+1 -0.00221 -0.06071 0.00397 0.21676 -0.15814 103 7D-1 0.00012 -0.01635 0.16471 0.07657 -0.04563 104 7D+2 0.07426 0.10517 -0.10837 -0.05400 0.29849 105 7D-2 0.08100 -0.09399 -0.11060 0.09529 -0.21983 106 8D 0 0.03125 -0.00031 0.06446 -0.02164 0.00815 107 8D+1 -0.00087 -0.02149 0.00219 0.07062 -0.05322 108 8D-1 0.00001 -0.00602 0.05344 0.02496 -0.01543 109 8D+2 0.02658 0.03571 -0.03668 -0.01789 0.09990 110 8D-2 0.02947 -0.03234 -0.03800 0.03177 -0.07360 111 6 Cu 1S 0.00005 -0.00008 0.00004 0.00005 0.00000 112 2S -0.00134 0.00162 -0.00164 -0.00124 0.00000 113 3S 0.00143 -0.00124 0.00019 0.00014 0.00003 114 4PX -0.00265 -0.01942 0.00255 0.02150 0.00008 115 4PY -0.00401 -0.00951 -0.00134 0.01146 0.00005 116 4PZ -0.02140 0.00410 -0.02423 0.00159 0.00002 117 5PX 0.01119 0.07780 -0.01397 -0.12153 -0.00034 118 5PY 0.01527 0.03993 0.00594 -0.06624 -0.00018 119 5PZ 0.08695 -0.01683 0.13758 -0.00860 -0.00006 120 6PX 0.00696 0.04939 0.00114 0.01274 0.00003 121 6PY 0.00990 0.02483 -0.00010 0.00751 0.00002 122 6PZ 0.05521 -0.01060 -0.01505 0.00097 0.00009 123 7D 0 0.08471 -0.00205 0.05107 -0.00754 -0.00041 124 7D+1 0.11709 -0.05968 0.11534 -0.00595 -0.00001 125 7D-1 -0.19817 0.02044 -0.19896 0.01376 0.00078 126 7D+2 0.03153 0.20072 -0.00786 -0.19593 -0.00041 127 7D-2 -0.03552 -0.13685 0.01650 0.13020 0.00040 128 8D 0 0.02327 -0.00076 0.01523 -0.00222 -0.00012 129 8D+1 0.03630 -0.01520 0.03559 -0.00269 -0.00001 130 8D-1 -0.06214 0.00815 -0.06219 0.00386 0.00024 131 8D+2 0.01083 0.06231 -0.00221 -0.06100 -0.00013 132 8D-2 -0.00962 -0.04224 0.00539 0.04036 0.00012 133 7 Cu 1S 0.00149 0.00210 0.00055 -0.00150 -0.00001 134 2S -0.03074 -0.04214 0.00277 -0.00839 0.00020 135 3S 0.00108 0.00391 0.03425 -0.09401 -0.00026 136 4PX 0.00520 0.00547 0.00059 -0.00247 -0.00152 137 4PY 0.00156 0.00173 -0.00152 0.00357 -0.00049 138 4PZ 0.00049 0.00431 0.00103 -0.00021 0.00334 139 5PX -0.00547 -0.00673 0.01876 -0.02150 -0.00112 140 5PY -0.00310 -0.00404 0.00554 -0.00593 -0.00037 141 5PZ -0.00260 -0.00399 -0.01649 -0.02049 0.00239 142 6PX 0.04275 0.02381 -0.01340 -0.00067 -0.00574 143 6PY -0.00933 -0.02388 0.00737 -0.03150 -0.00190 144 6PZ -0.02785 0.04050 0.02736 0.00744 0.01249 145 7D 0 0.02179 -0.08389 0.21793 -0.07565 0.17602 146 7D+1 0.07482 -0.05285 0.07430 0.26446 0.24678 147 7D-1 -0.08629 0.02094 0.01096 0.04480 -0.21574 148 7D+2 -0.07929 -0.00417 -0.12970 0.08493 -0.16007 149 7D-2 -0.04736 -0.10367 -0.04338 -0.01064 0.04837 150 8D 0 0.00719 -0.02999 0.07212 -0.02694 0.05910 151 8D+1 0.02612 -0.01804 0.02361 0.08860 0.08275 152 8D-1 -0.02934 0.00661 0.00265 0.01574 -0.07205 153 8D+2 -0.02773 -0.00205 -0.04231 0.02712 -0.05365 154 8D-2 -0.01751 -0.03677 -0.01433 -0.00240 0.01609 155 8 Cu 1S 0.00042 -0.00098 0.00059 0.00073 0.00000 156 2S 0.02338 -0.05236 0.00508 0.00618 0.00003 157 3S 0.02863 -0.06563 0.05412 0.06666 -0.00018 158 4PX -0.00346 0.00251 0.00194 -0.00391 -0.00606 159 4PY -0.00261 0.00198 0.00131 -0.00285 -0.00419 160 4PZ -0.00194 -0.00458 0.00637 -0.00304 -0.01041 161 5PX 0.00196 -0.01982 -0.00524 0.02107 0.03631 162 5PY 0.00498 -0.02174 0.00144 0.02150 0.02528 163 5PZ -0.01791 0.01391 -0.03266 0.00730 0.06259 164 6PX -0.02470 -0.03253 0.01402 -0.02157 0.03069 165 6PY -0.05944 0.06993 0.06443 0.05244 0.02143 166 6PZ -0.04602 -0.04775 0.01487 -0.04873 0.05297 167 7D 0 -0.12045 0.18640 -0.14406 -0.06369 0.22201 168 7D+1 0.10646 0.04249 -0.05774 -0.05856 -0.12446 169 7D-1 -0.22781 0.15706 0.19545 0.14442 0.02128 170 7D+2 -0.02810 0.37826 0.11949 0.18498 -0.10319 171 7D-2 -0.09585 0.14881 -0.20228 -0.33397 -0.09733 172 8D 0 -0.03913 0.06247 -0.04730 -0.02103 0.07246 173 8D+1 0.03332 0.01513 -0.01899 -0.01944 -0.04036 174 8D-1 -0.07393 0.05164 0.06334 0.04672 0.00657 175 8D+2 -0.00959 0.12253 0.03879 0.05995 -0.03337 176 8D-2 -0.03221 0.05004 -0.06606 -0.10903 -0.03189 177 9 C 1S 0.00041 -0.00051 0.00028 0.00026 0.00000 178 2S -0.00064 0.00076 -0.00044 -0.00044 0.00000 179 3S -0.00302 0.00416 -0.00249 -0.00221 0.00000 180 4PX 0.00460 0.02894 -0.00350 -0.03124 -0.00009 181 4PY 0.00503 0.01518 0.00177 -0.01662 -0.00005 182 4PZ 0.03265 -0.00625 0.03534 -0.00244 -0.00009 183 5PX -0.00034 -0.00296 0.00013 -0.00227 -0.00001 184 5PY -0.00096 -0.00102 -0.00015 -0.00157 -0.00001 185 5PZ -0.00329 0.00045 0.00297 -0.00040 -0.00005 186 10 O 1S -0.00008 0.00008 -0.00006 -0.00004 0.00000 187 2S 0.00017 -0.00010 0.00014 0.00007 0.00000 188 3S 0.00059 -0.00086 0.00032 0.00030 0.00000 189 4PX -0.00694 -0.04752 0.00565 0.04795 0.00014 190 4PY -0.00905 -0.02313 -0.00332 0.02454 0.00008 191 4PZ -0.05261 0.00998 -0.05372 0.00379 0.00013 192 5PX -0.00329 -0.02260 0.00292 0.02528 0.00007 193 5PY -0.00421 -0.01122 -0.00174 0.01301 0.00004 194 5PZ -0.02500 0.00483 -0.02841 0.00205 0.00007 61 62 63 64 65 O O O O O EIGENVALUES -- -0.26520 -0.26518 -0.26387 -0.26252 -0.26249 1 1 Cu 1S 0.00115 0.00048 0.00063 -0.00129 -0.00188 2 2S 0.00221 0.00102 0.02455 -0.00389 -0.00608 3 3S 0.04365 0.01803 0.00978 -0.05539 -0.07911 4 4PX -0.01376 0.00182 -0.01228 -0.00251 -0.00878 5 4PY 0.00699 0.00538 0.00513 0.00771 0.00959 6 4PZ 0.00221 -0.01603 -0.00476 -0.00651 0.00192 7 5PX 0.06361 -0.00712 0.05415 0.01703 0.05008 8 5PY -0.04174 -0.02827 -0.03265 -0.02866 -0.03377 9 5PZ -0.01019 0.07089 0.01955 0.03599 -0.00471 10 6PX 0.01798 0.00034 0.02406 0.02302 0.04097 11 6PY -0.02290 -0.01233 -0.02148 -0.01341 -0.01736 12 6PZ -0.00277 0.01542 0.00831 0.01846 0.00950 13 7D 0 0.00186 0.06611 0.03601 0.07201 0.08218 14 7D+1 0.04591 0.06164 -0.01484 0.06040 0.02485 15 7D-1 -0.00665 0.06687 0.02987 -0.07093 0.01356 16 7D+2 0.12760 0.03763 0.00392 0.12728 0.23320 17 7D-2 0.10052 -0.00063 0.08855 0.06246 0.04803 18 8D 0 0.00043 0.01972 0.01002 0.02342 0.02493 19 8D+1 0.01528 0.01833 -0.00358 0.02017 0.00818 20 8D-1 -0.00203 0.02229 0.00948 -0.02141 0.00339 21 8D+2 0.03927 0.01241 0.00112 0.04055 0.07461 22 8D-2 0.03228 -0.00019 0.02708 0.01883 0.01526 23 2 Cu 1S 0.00012 0.00087 -0.00118 0.00125 -0.00262 24 2S -0.00255 -0.01802 0.04147 -0.02055 0.04280 25 3S 0.00373 0.02931 0.01707 0.03577 -0.07637 26 4PX -0.00095 -0.00182 0.00480 -0.00185 0.00485 27 4PY -0.00058 -0.00076 -0.00025 0.00006 0.00059 28 4PZ -0.00097 0.00159 -0.00270 0.00207 -0.00259 29 5PX -0.01350 -0.00764 -0.01214 -0.01061 0.00658 30 5PY -0.00597 0.02257 -0.00448 -0.01044 0.01081 31 5PZ -0.02175 -0.00066 0.00871 -0.00570 -0.01591 32 6PX -0.00210 0.00451 -0.00960 -0.01002 -0.02018 33 6PY -0.00094 0.00841 -0.00255 -0.01604 0.00496 34 6PZ -0.00547 -0.00512 0.00656 -0.02908 -0.01003 35 7D 0 0.14279 0.27693 0.24671 0.35546 0.14513 36 7D+1 -0.15722 0.04223 0.29238 0.00279 0.07922 37 7D-1 0.14955 -0.02404 0.21823 -0.27618 -0.17075 38 7D+2 -0.14597 0.16545 0.07027 0.15408 -0.05478 39 7D-2 0.05332 0.47517 0.15454 -0.24025 -0.14006 40 8D 0 0.04581 0.09143 0.08077 0.11580 0.04703 41 8D+1 -0.05191 0.01321 0.09596 0.00058 0.02732 42 8D-1 0.05010 -0.00852 0.07200 -0.09092 -0.05461 43 8D+2 -0.04831 0.05478 0.02329 0.05068 -0.01799 44 8D-2 0.01850 0.15705 0.05013 -0.07757 -0.04726 45 3 Cu 1S -0.00100 0.00075 0.00063 0.00228 -0.00019 46 2S -0.00195 0.00159 0.02457 0.00686 -0.00098 47 3S -0.03745 0.02824 0.00980 0.09710 -0.00729 48 4PX 0.01414 0.00843 -0.00457 0.00646 -0.00672 49 4PY -0.00532 0.01417 0.01030 -0.01369 -0.00212 50 4PZ -0.00575 0.00246 0.00820 -0.00068 0.00064 51 5PX -0.06714 -0.03418 0.02447 -0.02638 0.03310 52 5PY 0.03132 -0.06864 -0.05244 0.06054 0.01122 53 5PZ 0.02208 -0.00829 -0.03017 0.02072 -0.00451 54 6PX -0.02082 -0.00295 0.01352 -0.01769 0.01054 55 6PY 0.01702 -0.02303 -0.02829 0.04227 0.00104 56 6PZ 0.00098 0.00117 -0.00952 0.03025 -0.00323 57 7D 0 -0.11162 0.06520 0.05386 -0.10114 0.00664 58 7D+1 0.08063 0.04915 0.01942 0.10527 -0.00704 59 7D-1 -0.04391 0.09587 -0.03320 -0.20342 0.02763 60 7D+2 -0.01161 0.04270 0.04555 -0.06952 0.07703 61 7D-2 -0.05814 0.03394 0.05952 -0.15046 -0.03435 62 8D 0 -0.03568 0.02111 0.01728 -0.03235 0.00243 63 8D+1 0.02446 0.01508 0.00613 0.03358 -0.00392 64 8D-1 -0.01349 0.02961 -0.01003 -0.06551 0.00789 65 8D+2 -0.00256 0.01459 0.01330 -0.02155 0.02370 66 8D-2 -0.01868 0.00953 0.01725 -0.04702 -0.01068 67 4 Cu 1S -0.00002 0.00001 0.00313 -0.00001 0.00000 68 2S 0.00031 0.00004 -0.03389 0.00020 -0.00036 69 3S -0.00072 0.00071 0.12602 -0.00022 -0.00086 70 4PX 0.00251 0.00304 0.00222 0.00046 0.00375 71 4PY 0.00171 0.00134 -0.00408 0.00068 0.00190 72 4PZ 0.00330 -0.00302 0.00043 0.00418 -0.00072 73 5PX 0.00840 0.01021 0.01562 0.00024 0.00188 74 5PY 0.00577 0.00436 -0.02897 0.00036 0.00118 75 5PZ 0.01108 -0.01007 0.00282 0.00218 -0.00041 76 6PX 0.00896 0.01080 0.00346 0.00177 0.01560 77 6PY 0.00596 0.00469 -0.00660 0.00272 0.00814 78 6PZ 0.01161 -0.01060 0.00083 0.01736 -0.00320 79 7D 0 0.00320 0.00686 0.07184 0.11849 0.01671 80 7D+1 -0.08819 0.02542 -0.01029 -0.06420 -0.14418 81 7D-1 0.11159 -0.12977 0.02001 0.14902 -0.10485 82 7D+2 -0.11914 -0.10329 0.06814 -0.07552 -0.11672 83 7D-2 0.04759 0.09046 0.10497 -0.06410 0.06984 84 8D 0 0.00253 0.00141 0.02371 0.03926 0.00558 85 8D+1 -0.02890 0.00659 -0.00338 -0.02186 -0.04797 86 8D-1 0.03520 -0.04217 0.00660 0.05049 -0.03508 87 8D+2 -0.03831 -0.03247 0.02247 -0.02533 -0.03969 88 8D-2 0.01435 0.02906 0.03461 -0.02130 0.02382 89 5 Cu 1S 0.00067 -0.00051 -0.00121 -0.00291 0.00024 90 2S -0.01475 0.01140 0.04142 0.04736 -0.00420 91 3S 0.02183 -0.01668 0.01680 -0.08290 0.00680 92 4PX -0.00087 -0.00094 0.00129 0.00108 0.00067 93 4PY -0.00060 -0.00038 -0.00141 -0.00076 0.00049 94 4PZ -0.00196 0.00167 0.00517 0.00597 -0.00061 95 5PX -0.02281 -0.01166 -0.00129 -0.00424 -0.01245 96 5PY 0.00942 -0.02244 -0.00096 0.00884 -0.00762 97 5PZ 0.00226 0.00123 -0.01539 0.01835 -0.00016 98 6PX -0.00505 -0.00230 -0.00110 -0.01057 -0.03230 99 6PY 0.00371 -0.00538 -0.00059 0.01141 -0.01894 100 6PZ 0.00745 -0.00521 -0.01194 -0.00977 0.00426 101 7D 0 0.19482 -0.11337 -0.19206 -0.10370 0.06826 102 7D+1 -0.18731 -0.04823 -0.06398 -0.07364 -0.34211 103 7D-1 0.10472 -0.20920 -0.03064 0.04880 -0.14350 104 7D+2 0.07826 -0.31048 0.24274 -0.01241 0.35003 105 7D-2 0.39166 -0.15346 0.35440 -0.06984 -0.27495 106 8D 0 0.06485 -0.03812 -0.06326 -0.03608 0.02239 107 8D+1 -0.06103 -0.01494 -0.02069 -0.02361 -0.11126 108 8D-1 0.03511 -0.06880 -0.01069 0.01448 -0.04644 109 8D+2 0.02521 -0.10306 0.07962 -0.00402 0.11456 110 8D-2 0.12956 -0.04997 0.11613 -0.02301 -0.08989 111 6 Cu 1S 0.00001 -0.00005 -0.00155 -0.00003 0.00004 112 2S -0.00012 0.00044 0.01312 -0.00024 0.00006 113 3S 0.00037 -0.00053 -0.14780 0.00008 0.00029 114 4PX -0.00356 -0.00426 -0.00013 -0.00139 -0.01103 115 4PY -0.00236 -0.00187 0.00001 -0.00193 -0.00565 116 4PZ -0.00464 0.00422 -0.00005 -0.01235 0.00214 117 5PX 0.01123 0.01283 0.02218 0.00810 0.06426 118 5PY 0.00753 0.00631 -0.04081 0.01132 0.03357 119 5PZ 0.01482 -0.01319 0.00439 0.07220 -0.01255 120 6PX -0.01936 -0.02456 -0.00103 0.00824 0.06680 121 6PY -0.01277 -0.01164 0.00412 0.01118 0.03525 122 6PZ -0.02448 0.02404 -0.00139 0.07449 -0.01340 123 7D 0 -0.02680 0.00940 0.03063 0.05794 0.00709 124 7D+1 0.05843 0.01297 -0.00486 -0.01970 -0.06575 125 7D-1 -0.05074 0.07955 0.00864 0.05093 -0.04340 126 7D+2 0.06662 0.04523 0.03130 -0.03083 -0.03609 127 7D-2 -0.01110 -0.05015 0.04552 -0.02954 0.02053 128 8D 0 -0.00815 0.00292 0.00903 0.01513 0.00191 129 8D+1 0.01739 0.00413 -0.00140 -0.00589 -0.01732 130 8D-1 -0.01489 0.02364 0.00252 0.01465 -0.01170 131 8D+2 0.01971 0.01328 0.00921 -0.00840 -0.01070 132 8D-2 -0.00314 -0.01481 0.01345 -0.00775 0.00620 133 7 Cu 1S -0.00077 -0.00034 -0.00119 0.00167 0.00240 134 2S 0.01683 0.00748 0.04138 -0.02728 -0.03941 135 3S -0.02540 -0.01073 0.01748 0.04682 0.06823 136 4PX -0.00161 -0.00135 -0.00285 0.00190 0.00335 137 4PY -0.00105 -0.00068 -0.00431 0.00233 0.00358 138 4PZ -0.00149 0.00078 -0.00194 0.00200 0.00148 139 5PX 0.01669 -0.00463 0.01187 0.01546 0.01217 140 5PY -0.01655 -0.01061 0.00798 0.00229 -0.00008 141 5PZ -0.00621 0.02316 0.00659 -0.00598 0.01465 142 6PX 0.01055 0.00188 0.00883 0.01281 -0.00815 143 6PY -0.00068 -0.00040 0.00650 -0.00595 -0.01809 144 6PZ 0.00214 0.00612 0.00508 -0.02958 0.01767 145 7D 0 -0.24644 -0.18380 0.34811 0.27342 -0.18025 146 7D+1 0.01157 0.01351 -0.29151 0.32122 -0.21100 147 7D-1 0.09267 -0.24256 -0.08397 -0.11352 0.15494 148 7D+2 -0.34587 -0.18109 0.07566 -0.20512 0.11385 149 7D-2 -0.33528 -0.01036 0.07928 0.07593 0.10839 150 8D 0 -0.08142 -0.05950 0.11411 0.08884 -0.05895 151 8D+1 0.00277 0.00529 -0.09593 0.10563 -0.06750 152 8D-1 0.03042 -0.08039 -0.02744 -0.03719 0.05120 153 8D+2 -0.11417 -0.06054 0.02414 -0.06592 0.03863 154 8D-2 -0.11097 -0.00371 0.02601 0.02563 0.03616 155 8 Cu 1S -0.00016 -0.00123 0.00060 -0.00097 0.00206 156 2S -0.00029 -0.00225 0.02451 -0.00300 0.00593 157 3S -0.00610 -0.04800 0.00931 -0.04114 0.08741 158 4PX 0.00822 0.00000 0.00186 -0.00539 0.00361 159 4PY 0.00384 -0.01495 0.01249 0.00376 -0.01356 160 4PZ 0.01462 0.00342 -0.00612 -0.00617 -0.00027 161 5PX -0.03751 -0.00814 -0.00028 0.01947 -0.00238 162 5PY -0.01591 0.07538 -0.06068 -0.01724 0.06424 163 5PZ -0.06469 -0.01409 0.02474 0.03445 -0.00635 164 6PX -0.00991 -0.01169 0.00557 0.00243 0.00665 165 6PY -0.00190 0.02865 -0.03200 -0.01828 0.04696 166 6PZ -0.01469 -0.00211 0.01005 0.01772 -0.01730 167 7D 0 -0.08200 -0.04106 0.03661 0.06032 -0.10251 168 7D+1 0.05526 0.05448 -0.02123 0.03575 0.00899 169 7D-1 -0.00814 0.06072 0.03518 -0.09114 0.05503 170 7D+2 0.03676 -0.03786 0.07565 0.03099 0.03643 171 7D-2 0.01279 -0.14781 0.03811 0.09155 -0.24590 172 8D 0 -0.02470 -0.01270 0.01058 0.02024 -0.03155 173 8D+1 0.01794 0.01795 -0.00751 0.01025 0.00280 174 8D-1 -0.00392 0.01923 0.01006 -0.02891 0.01850 175 8D+2 0.01220 -0.01266 0.02307 0.00871 0.01181 176 8D-2 0.00317 -0.04600 0.01142 0.02864 -0.07842 177 9 C 1S 0.00002 -0.00002 -0.00323 0.00000 -0.00010 178 2S -0.00004 -0.00026 0.00960 -0.00005 0.00029 179 3S -0.00013 0.00122 0.00834 -0.00027 0.00103 180 4PX 0.00592 0.00743 -0.00451 0.00044 0.00303 181 4PY 0.00381 0.00278 0.00951 0.00066 0.00178 182 4PZ 0.00753 -0.00697 -0.00116 0.00364 -0.00057 183 5PX -0.00191 -0.00190 0.01035 -0.00092 -0.00638 184 5PY -0.00129 -0.00062 -0.01955 -0.00110 -0.00332 185 5PZ -0.00276 0.00201 0.00207 -0.00732 0.00118 186 10 O 1S 0.00000 0.00005 0.00099 0.00002 -0.00002 187 2S 0.00002 -0.00001 -0.00104 -0.00007 0.00006 188 3S 0.00002 -0.00065 -0.01289 -0.00004 0.00000 189 4PX -0.00550 -0.00710 0.00322 -0.00098 -0.00856 190 4PY -0.00349 -0.00277 -0.00705 -0.00179 -0.00407 191 4PZ -0.00683 0.00660 0.00085 -0.00953 0.00157 192 5PX -0.00143 -0.00200 0.00044 -0.00046 -0.00411 193 5PY -0.00088 -0.00085 -0.00169 -0.00073 -0.00212 194 5PZ -0.00164 0.00179 0.00033 -0.00455 0.00084 66 67 68 69 70 O O O O O EIGENVALUES -- -0.26123 -0.25853 -0.25851 -0.25772 -0.25770 1 1 Cu 1S 0.00111 -0.00057 -0.00002 0.00061 -0.00052 2 2S -0.05678 0.04675 0.00116 0.01127 -0.00932 3 3S 0.08166 -0.01100 -0.00036 0.03982 -0.03299 4 4PX -0.00420 -0.00298 0.00071 -0.00134 -0.00551 5 4PY 0.00765 -0.00321 0.00024 -0.00316 0.00049 6 4PZ -0.00091 -0.00176 -0.00192 0.00773 0.00821 7 5PX 0.01006 0.00967 -0.01516 0.01776 0.01898 8 5PY -0.04188 0.02830 -0.00442 0.00116 0.00999 9 5PZ -0.00138 0.00711 0.03483 -0.03717 -0.04444 10 6PX 0.00709 0.01093 -0.00909 0.03676 -0.03592 11 6PY -0.02671 0.01155 -0.00280 -0.03893 0.03195 12 6PZ -0.00075 0.00597 0.02140 0.01672 -0.00551 13 7D 0 0.09477 -0.10201 0.09848 -0.03536 0.05657 14 7D+1 -0.01436 0.04013 0.04576 0.02614 0.07052 15 7D-1 -0.03128 0.08271 0.17058 -0.03406 -0.16942 16 7D+2 0.13031 -0.13856 -0.00947 -0.19164 0.08974 17 7D-2 0.03250 0.08597 -0.08705 0.09062 -0.00360 18 8D 0 0.02937 -0.03158 0.02894 -0.01200 0.01851 19 8D+1 -0.00342 0.01242 0.01222 0.00920 0.02178 20 8D-1 -0.01011 0.02543 0.05402 -0.01122 -0.05429 21 8D+2 0.04235 -0.04304 -0.00170 -0.06061 0.02807 22 8D-2 0.00961 0.02625 -0.02712 0.02851 -0.00055 23 2 Cu 1S -0.00079 -0.00019 -0.00037 -0.00146 -0.00051 24 2S -0.03484 0.02021 0.03733 -0.00960 -0.00364 25 3S -0.10320 0.06133 0.11296 -0.07903 -0.02823 26 4PX -0.00578 0.00488 0.00884 -0.00130 -0.00166 27 4PY -0.00057 0.00107 0.00187 0.00220 -0.00003 28 4PZ 0.00358 -0.00305 -0.00603 0.00079 -0.00167 29 5PX 0.03546 -0.03149 -0.04929 0.02251 0.01129 30 5PY 0.00350 -0.00577 -0.00481 -0.02911 -0.00805 31 5PZ -0.02199 0.01094 0.03582 -0.00378 0.00395 32 6PX 0.01843 -0.01813 -0.01874 -0.00447 0.01776 33 6PY 0.00978 -0.00259 0.00571 0.00260 0.01430 34 6PZ -0.01461 -0.00433 0.01730 -0.01402 0.02819 35 7D 0 0.08705 0.06364 0.04997 0.19302 -0.00568 36 7D+1 -0.25073 0.15751 0.46090 0.18025 0.01753 37 7D-1 0.02198 0.11339 0.02754 0.33283 0.23034 38 7D+2 0.30933 -0.23931 -0.26087 0.31000 0.04543 39 7D-2 0.19506 -0.02079 -0.06055 -0.06921 0.04288 40 8D 0 0.02817 0.02140 0.01604 0.06322 -0.00152 41 8D+1 -0.08218 0.05160 0.15184 0.05957 0.00533 42 8D-1 0.00731 0.03734 0.00915 0.10962 0.07627 43 8D+2 0.10127 -0.07896 -0.08578 0.10224 0.01450 44 8D-2 0.06325 -0.00723 -0.02006 -0.02320 0.01388 45 3 Cu 1S 0.00112 0.00029 -0.00047 0.00016 0.00079 46 2S -0.05714 -0.02454 0.03936 0.00269 0.01423 47 3S 0.08217 0.00466 -0.00819 0.01046 0.05025 48 4PX -0.00401 0.00122 0.00160 -0.01050 0.00387 49 4PY 0.00779 0.00117 0.00008 -0.00634 -0.00215 50 4PZ -0.00068 -0.00260 0.00381 0.00096 -0.00091 51 5PX 0.01970 -0.02375 -0.02628 0.05598 -0.00843 52 5PY -0.03532 -0.02299 0.00242 0.02828 -0.01024 53 5PZ 0.01580 0.01600 -0.01933 -0.00505 0.00299 54 6PX 0.01314 -0.01594 -0.01300 -0.00074 0.03253 55 6PY -0.02311 -0.01014 -0.00491 -0.01549 -0.06229 56 6PZ 0.00937 0.01040 -0.01311 -0.00228 -0.01746 57 7D 0 0.00809 -0.07979 0.07314 0.00978 0.03333 58 7D+1 -0.06027 0.08351 0.16771 0.01114 0.12125 59 7D-1 0.09410 0.15232 -0.06271 -0.06009 -0.18877 60 7D+2 0.06143 0.10720 0.02533 -0.15289 0.01508 61 7D-2 0.10974 -0.00126 -0.09184 0.08880 -0.07593 62 8D 0 0.00301 -0.02431 0.02250 0.00325 0.01106 63 8D+1 -0.01962 0.02454 0.05105 0.00324 0.03837 64 8D-1 0.03118 0.04666 -0.01968 -0.01915 -0.05909 65 8D+2 0.01881 0.03497 0.00879 -0.04923 0.00414 66 8D-2 0.03400 -0.00160 -0.02942 0.02833 -0.02517 67 4 Cu 1S 0.00152 0.00001 0.00002 0.00000 -0.00001 68 2S -0.08458 0.00017 -0.00061 0.00032 0.00039 69 3S -0.03039 0.00041 -0.00016 0.00031 0.00010 70 4PX 0.00389 -0.00105 -0.00056 -0.00208 0.00047 71 4PY -0.00727 -0.00061 -0.00026 -0.00102 0.00052 72 4PZ 0.00071 -0.00062 0.00123 0.00064 0.00231 73 5PX -0.00554 0.00072 0.00036 0.00607 -0.00136 74 5PY 0.01047 0.00031 0.00022 0.00299 -0.00145 75 5PZ -0.00109 0.00039 -0.00081 -0.00193 -0.00677 76 6PX -0.01152 0.00110 0.00066 0.01863 -0.00419 77 6PY 0.02190 0.00051 0.00037 0.00941 -0.00431 78 6PZ -0.00242 0.00060 -0.00146 -0.00596 -0.02062 79 7D 0 -0.07612 -0.11153 0.12244 -0.00672 -0.23768 80 7D+1 0.01197 0.12493 0.11220 -0.22832 -0.05214 81 7D-1 -0.01959 0.06326 0.05734 -0.08233 0.09460 82 7D+2 -0.07326 0.01243 -0.05450 0.12543 0.03330 83 7D-2 -0.11005 0.06911 -0.04899 -0.08526 0.11856 84 8D 0 -0.02547 -0.03736 0.04102 -0.00228 -0.07829 85 8D+1 0.00400 0.04189 0.03756 -0.07504 -0.01803 86 8D-1 -0.00655 0.02115 0.01932 -0.02648 0.03265 87 8D+2 -0.02451 0.00426 -0.01822 0.04269 0.01041 88 8D-2 -0.03685 0.02310 -0.01646 -0.02905 0.03907 89 5 Cu 1S -0.00079 -0.00020 0.00034 0.00027 0.00157 90 2S -0.03328 0.02269 -0.03608 0.00232 0.00991 91 3S -0.10148 0.06918 -0.11007 0.01603 0.08424 92 4PX -0.00108 0.00098 -0.00118 0.00223 0.00088 93 4PY 0.00086 -0.00025 0.00051 0.00063 -0.00237 94 4PZ -0.00640 0.00647 -0.01041 0.00008 0.00095 95 5PX 0.00677 -0.01272 0.00518 -0.00904 -0.01690 96 5PY -0.00551 0.00091 -0.00886 0.00314 0.03193 97 5PZ 0.03974 -0.03550 0.05836 -0.00208 -0.01292 98 6PX 0.00036 -0.01503 -0.00097 -0.03276 0.00887 99 6PY 0.00431 -0.00124 -0.01166 -0.01866 -0.00205 100 6PZ 0.02441 -0.01265 0.02293 0.00206 -0.00590 101 7D 0 0.38527 -0.28950 0.48823 0.02536 0.10819 102 7D+1 0.07838 -0.13912 0.11061 -0.08087 -0.10920 103 7D-1 -0.05694 0.02658 -0.12057 0.05088 0.34810 104 7D+2 0.11416 -0.08368 -0.07539 0.07789 -0.27380 105 7D-2 0.15659 0.08907 -0.01542 -0.14801 -0.28751 106 8D 0 0.12593 -0.09526 0.16088 0.00829 0.03587 107 8D+1 0.02589 -0.04629 0.03599 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0.20420 -0.30489 147 7D-1 0.17106 0.27444 -0.12151 0.02442 0.10536 148 7D+2 0.06564 -0.04461 -0.02516 0.21227 -0.09760 149 7D-2 0.39493 0.41588 0.07458 -0.19924 0.13696 150 8D 0 0.00864 -0.06573 -0.01041 -0.08247 0.04245 151 8D+1 0.03115 0.08851 0.00929 0.06738 -0.10047 152 8D-1 0.05607 0.09033 -0.04033 0.00852 0.03522 153 8D+2 0.02090 -0.01443 -0.00810 0.07029 -0.03244 154 8D-2 0.12907 0.13701 0.02479 -0.06574 0.04476 155 8 Cu 1S 0.00108 0.00026 0.00049 -0.00077 -0.00028 156 2S -0.05654 -0.02163 -0.04143 -0.01336 -0.00447 157 3S 0.07984 0.00488 0.00968 -0.05086 -0.01806 158 4PX -0.00407 -0.00091 -0.00399 -0.00279 0.00519 159 4PY 0.00787 0.00043 -0.00066 0.00197 0.00499 160 4PZ -0.00081 0.00276 0.00139 -0.00412 0.00915 161 5PX 0.02838 -0.00389 0.03239 0.00558 -0.02983 162 5PY -0.03272 -0.01577 -0.00211 0.01129 -0.01825 163 5PZ -0.00355 -0.03368 0.00427 0.01746 -0.04848 164 6PX 0.01731 -0.00288 0.01774 -0.01623 -0.00218 165 6PY -0.02021 -0.00596 0.00566 0.06441 0.02536 166 6PZ -0.00188 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1S 0.00190 -0.00002 -0.00003 0.00000 0.00001 187 2S -0.00594 0.00003 0.00001 0.00009 0.00003 188 3S -0.00665 0.00019 0.00037 -0.00046 -0.00027 189 4PX 0.00879 -0.00347 -0.00154 0.00987 -0.00183 190 4PY -0.02024 -0.00189 -0.00018 0.00452 -0.00221 191 4PZ 0.00343 -0.00255 0.00391 -0.00323 -0.01019 192 5PX 0.00344 -0.00270 -0.00126 0.00653 -0.00132 193 5PY -0.00865 -0.00149 -0.00011 0.00271 -0.00167 194 5PZ 0.00174 -0.00196 0.00306 -0.00195 -0.00695 71 72 73 74 75 O O O O O EIGENVALUES -- -0.25685 -0.25263 -0.25261 -0.25256 -0.24848 1 1 Cu 1S 0.00001 -0.00144 0.00273 -0.00196 0.00007 2 2S 0.00014 -0.00016 0.01687 0.01262 0.00599 3 3S 0.00038 -0.07571 0.10220 -0.13461 0.00938 4 4PX -0.00410 0.00039 -0.00994 0.00234 0.00125 5 4PY -0.00142 0.00010 0.00074 0.00365 0.00149 6 4PZ 0.00921 0.00743 -0.00240 -0.00067 -0.00607 7 5PX 0.01607 -0.00203 0.03613 -0.00737 -0.00673 8 5PY 0.00526 0.01101 -0.01242 0.01184 -0.00689 9 5PZ -0.03550 -0.02362 0.00775 0.00571 0.02704 10 6PX 0.00045 0.01802 -0.00518 0.00886 -0.04430 11 6PY -0.00093 0.00733 -0.00515 0.00499 -0.00996 12 6PZ 0.00127 -0.02164 -0.01152 0.01294 0.08785 13 7D 0 -0.23161 0.14845 -0.11819 0.13897 0.09832 14 7D+1 -0.14660 -0.08043 0.23991 -0.15075 0.17783 15 7D-1 -0.25419 0.02072 0.10013 -0.08800 -0.09001 16 7D+2 0.04919 -0.02834 0.12701 0.05537 -0.10111 17 7D-2 0.15496 -0.07144 0.10081 0.00584 0.03320 18 8D 0 -0.07458 0.04818 -0.03803 0.04508 0.03072 19 8D+1 -0.04730 -0.02530 0.07706 -0.04853 0.05518 20 8D-1 -0.08151 0.00582 0.03213 -0.02858 -0.02649 21 8D+2 0.01597 -0.00887 0.04021 0.01903 -0.03091 22 8D-2 0.04974 -0.02291 0.03249 0.00143 0.01028 23 2 Cu 1S 0.00000 -0.00076 0.00017 0.00006 0.00111 24 2S -0.00011 0.05026 -0.00221 0.02526 -0.03504 25 3S 0.00016 0.03715 0.00406 0.03578 0.03850 26 4PX -0.00019 0.01003 0.00217 0.00462 -0.00133 27 4PY -0.00013 -0.00743 0.00084 -0.00817 0.00010 28 4PZ -0.00031 -0.00159 0.00461 -0.00127 0.00365 29 5PX 0.00075 -0.03042 -0.01615 -0.01752 -0.01446 30 5PY 0.00050 0.03414 -0.00431 0.04532 0.00552 31 5PZ 0.00137 -0.00365 -0.02680 0.00339 -0.01035 32 6PX -0.00401 -0.01837 -0.00774 -0.00834 -0.00387 33 6PY -0.00277 0.00306 -0.00099 0.01795 0.04864 34 6PZ -0.00687 0.00559 -0.01502 0.00349 0.00994 35 7D 0 0.22956 0.16640 0.15696 -0.02013 0.10154 36 7D+1 -0.00440 0.09451 -0.19020 0.04946 -0.05464 37 7D-1 -0.15146 -0.15772 0.08988 -0.22705 0.16840 38 7D+2 0.03767 -0.24474 -0.16667 -0.10943 -0.04618 39 7D-2 -0.15275 0.31229 -0.04971 0.21469 0.06903 40 8D 0 0.07689 0.05516 0.05259 -0.00748 0.03268 41 8D+1 -0.00299 0.03064 -0.06305 0.01636 -0.01787 42 8D-1 -0.04859 -0.05311 0.02968 -0.07491 0.05611 43 8D+2 0.01085 -0.08129 -0.05523 -0.03632 -0.01568 44 8D-2 -0.05054 0.10397 -0.01737 0.07020 0.02051 45 3 Cu 1S -0.00001 -0.00251 -0.00265 -0.00029 -0.00047 46 2S -0.00023 -0.00456 -0.00584 0.02011 -0.03131 47 3S -0.00043 -0.12091 -0.12513 -0.06341 -0.05204 48 4PX 0.00892 -0.00379 0.00530 -0.00213 0.00468 49 4PY 0.00474 -0.00531 -0.00098 0.00442 -0.00519 50 4PZ -0.00091 -0.00579 -0.00713 0.00120 -0.00489 51 5PX -0.03458 0.00539 -0.02541 0.00088 -0.02184 52 5PY -0.01803 0.03046 0.01596 -0.00470 0.02340 53 5PZ 0.00361 0.01101 0.01544 -0.01495 0.01622 54 6PX 0.00037 0.01929 -0.01848 0.00090 -0.01751 55 6PY 0.00137 0.00885 -0.01062 -0.00176 -0.04192 56 6PZ 0.00022 -0.01530 -0.01182 -0.00684 -0.00710 57 7D 0 -0.06119 -0.24079 -0.23343 0.04131 -0.20580 58 7D+1 0.33457 0.04405 -0.07962 -0.04867 -0.00890 59 7D-1 0.19112 -0.03283 -0.10951 0.07189 0.01934 60 7D+2 0.11269 0.10665 0.05997 0.05190 0.00383 61 7D-2 -0.03345 0.10487 0.12333 0.09018 0.13613 62 8D 0 -0.01968 -0.07745 -0.07505 0.01300 -0.06697 63 8D+1 0.10766 0.01383 -0.02617 -0.01610 -0.00295 64 8D-1 0.06143 -0.00976 -0.03441 0.02381 0.00598 65 8D+2 0.03598 0.03377 0.01990 0.01681 0.00098 66 8D-2 -0.01056 0.03440 0.03954 0.02932 0.04118 67 4 Cu 1S 0.00000 0.00053 0.00045 0.00178 0.00003 68 2S -0.00002 -0.00264 -0.00177 -0.00737 -0.00078 69 3S -0.00002 0.01869 0.01687 0.06594 -0.00143 70 4PX -0.00003 0.00023 0.00030 0.00095 -0.00098 71 4PY -0.00002 -0.00057 -0.00038 -0.00168 -0.00040 72 4PZ -0.00002 0.00014 0.00011 0.00009 0.00403 73 5PX 0.00007 0.00009 0.00074 0.00176 0.00510 74 5PY 0.00006 -0.00102 -0.00076 -0.00356 0.00207 75 5PZ 0.00008 0.00038 0.00028 0.00047 -0.02097 76 6PX 0.00020 -0.00503 0.00918 0.00756 0.01273 77 6PY 0.00015 -0.00739 0.00071 -0.01547 0.00295 78 6PZ 0.00028 0.00847 0.00752 -0.00190 -0.04693 79 7D 0 0.00346 -0.17832 -0.26444 0.06585 0.46954 80 7D+1 -0.00073 -0.29121 0.12651 0.04930 0.36525 81 7D-1 -0.00185 -0.05140 0.14832 -0.03717 -0.07882 82 7D+2 0.00071 0.14230 -0.05052 -0.07037 -0.21601 83 7D-2 -0.00268 -0.02765 0.16944 -0.10491 -0.14602 84 8D 0 0.00113 -0.05916 -0.08755 0.02138 0.15348 85 8D+1 -0.00023 -0.09656 0.04120 0.01662 0.11916 86 8D-1 -0.00062 -0.01597 0.04976 -0.01293 -0.02513 87 8D+2 0.00026 0.04770 -0.01786 -0.02365 -0.07056 88 8D-2 -0.00089 -0.00999 0.05636 -0.03522 -0.04796 89 5 Cu 1S -0.00003 0.00047 0.00050 -0.00033 -0.00138 90 2S -0.00007 -0.01753 -0.02093 0.04756 0.04409 91 3S -0.00125 -0.00479 -0.00805 0.05369 -0.04645 92 4PX 0.00038 -0.00453 0.00173 0.00695 -0.00055 93 4PY 0.00027 -0.00025 0.00397 -0.01178 -0.00094 94 4PZ -0.00002 -0.00254 -0.00365 0.00543 0.00407 95 5PX -0.00128 0.02281 -0.01636 -0.03243 0.01294 96 5PY -0.00139 0.00861 -0.01601 0.05706 -0.00839 97 5PZ 0.00028 0.00342 0.00840 -0.01024 0.00384 98 6PX 0.00640 0.00997 -0.01087 -0.01206 0.01407 99 6PY 0.00348 0.00956 -0.00281 0.02070 -0.05284 100 6PZ -0.00069 0.00690 0.01006 -0.01224 -0.00460 101 7D 0 -0.03942 0.01151 0.07137 0.02384 -0.00878 102 7D+1 0.21647 0.22899 -0.08097 -0.25058 0.02936 103 7D-1 0.08737 0.01378 -0.21383 0.45086 0.06444 104 7D+2 -0.15352 0.08336 -0.15477 -0.00761 -0.01403 105 7D-2 0.13539 -0.13220 -0.02017 0.08693 -0.16684 106 8D 0 -0.01332 0.00308 0.02307 0.00798 -0.00138 107 8D+1 0.07303 0.07676 -0.02705 -0.08284 0.00902 108 8D-1 0.02989 0.00408 -0.07191 0.14917 0.02297 109 8D+2 -0.04883 0.02735 -0.05110 -0.00298 -0.00368 110 8D-2 0.04363 -0.04379 -0.00706 0.02801 -0.05341 111 6 Cu 1S 0.00000 0.00039 0.00033 0.00129 0.00002 112 2S 0.00000 0.00547 0.00447 0.01737 -0.00026 113 3S 0.00002 0.04264 0.03793 0.14804 0.00137 114 4PX 0.00017 -0.00445 0.00953 0.00925 0.00312 115 4PY 0.00011 -0.00796 0.00014 -0.01757 0.00019 116 4PZ 0.00018 0.00842 0.00749 -0.00210 -0.01076 117 5PX -0.00077 0.02119 -0.03845 -0.03145 -0.00759 118 5PY -0.00048 0.02907 -0.00457 0.05872 -0.00028 119 5PZ -0.00079 -0.03506 -0.03120 0.01129 0.02547 120 6PX 0.00030 -0.01325 0.00825 -0.00886 0.02508 121 6PY 0.00022 -0.00054 0.01028 0.01379 0.00518 122 6PZ 0.00063 0.01165 0.01001 -0.00559 -0.09196 123 7D 0 0.00349 0.00666 0.04230 -0.17764 -0.03501 124 7D+1 -0.00195 0.08537 -0.05844 0.01669 0.00001 125 7D-1 -0.00063 0.04452 -0.02865 -0.05189 -0.05638 126 7D+2 -0.00099 -0.05815 -0.06496 -0.13081 0.00489 127 7D-2 -0.00180 -0.08509 -0.09223 -0.19441 0.02512 128 8D 0 0.00099 0.00095 0.01146 -0.05437 -0.00909 129 8D+1 -0.00057 0.02448 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0.00417 -0.01171 0.00001 0.00430 -0.00416 133 7 Cu 1S -0.00144 0.00068 0.00000 0.00042 0.00010 134 2S 0.04585 0.00252 -0.00006 -0.02284 -0.00533 135 3S -0.04865 0.00476 0.00020 -0.00098 -0.00005 136 4PX -0.00307 0.00294 -0.00436 -0.00376 0.00002 137 4PY -0.00269 -0.00001 -0.00145 0.00452 0.00130 138 4PZ -0.00099 0.00142 0.00976 -0.00046 -0.00202 139 5PX 0.00593 -0.01300 0.01961 0.01504 0.00042 140 5PY -0.01417 0.00188 0.00655 -0.01495 -0.00431 141 5PZ -0.00368 -0.00611 -0.04382 0.00260 0.00726 142 6PX 0.03190 0.00040 0.00656 0.03288 -0.00446 143 6PY -0.04447 -0.00081 0.00256 -0.01844 -0.00802 144 6PZ 0.01455 0.00051 -0.01538 0.00489 0.02783 145 7D 0 -0.09922 -0.04794 0.15245 -0.00702 -0.06840 146 7D+1 0.06995 0.08104 0.05475 -0.03465 -0.08468 147 7D-1 0.03871 0.04029 0.29583 -0.01311 0.02875 148 7D+2 -0.00610 0.03880 0.00343 -0.12130 0.01916 149 7D-2 -0.11036 0.04806 -0.15221 -0.05746 -0.01103 150 8D 0 -0.03156 -0.01563 0.05070 -0.00265 -0.02148 151 8D+1 0.02371 0.02637 0.01854 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15 7D-1 0.19545 -0.01922 0.03704 0.01468 -0.02485 16 7D+2 0.02963 -0.03221 -0.12457 0.01991 -0.01655 17 7D-2 -0.07643 -0.08600 0.07513 0.00605 0.01147 18 8D 0 0.01735 0.01938 0.00985 0.00184 0.01060 19 8D+1 0.00316 -0.03005 -0.02885 -0.01180 0.00539 20 8D-1 0.06532 -0.00776 0.01249 0.00474 -0.00825 21 8D+2 0.00897 -0.01186 -0.04328 0.00585 -0.00497 22 8D-2 -0.02537 -0.03203 0.02380 0.00163 0.00391 23 2 Cu 1S -0.00052 -0.00041 -0.00011 0.00023 -0.00219 24 2S -0.26148 -0.20674 -0.13994 -0.00190 0.01583 25 3S -0.10067 -0.07934 -0.08521 0.00729 -0.07099 26 4PX -0.01509 0.00068 -0.00308 0.00288 -0.01437 27 4PY -0.00217 0.00728 -0.01395 -0.00362 0.03871 28 4PZ -0.00627 0.01674 0.00757 0.00287 -0.00721 29 5PX 0.01649 -0.02345 -0.00464 -0.02185 0.07811 30 5PY 0.00113 -0.02522 0.03926 0.00495 -0.11977 31 5PZ 0.03598 -0.03422 -0.01361 -0.02232 0.00026 32 6PX -0.01809 -0.02001 -0.00306 0.03487 0.06993 33 6PY 0.02322 0.01437 0.00759 0.04988 -0.17356 34 6PZ 0.00826 -0.00328 -0.00141 0.06918 0.04276 35 7D 0 -0.09014 0.08856 0.04954 -0.01633 0.00029 36 7D+1 0.05448 -0.03784 -0.01014 -0.01708 0.01433 37 7D-1 0.00052 0.00390 -0.02061 0.02767 0.04836 38 7D+2 0.01171 -0.05463 0.01864 -0.02419 0.02583 39 7D-2 0.01130 -0.06693 0.09884 0.02123 -0.03294 40 8D 0 -0.02890 0.02994 0.01586 -0.00553 -0.00079 41 8D+1 0.02221 -0.00990 -0.00203 -0.00433 0.00474 42 8D-1 -0.00057 0.00175 -0.00787 0.00742 0.01641 43 8D+2 0.00089 -0.02126 0.00358 -0.00655 0.00894 44 8D-2 0.00416 -0.02145 0.03230 0.00684 -0.01278 45 3 Cu 1S 0.00097 -0.00039 0.00085 0.00508 -0.00207 46 2S -0.19179 0.07662 0.05750 0.15178 -0.06417 47 3S 0.08075 -0.03108 0.05608 0.02975 -0.01071 48 4PX 0.02403 0.04074 0.02515 0.01885 0.01707 49 4PY -0.00602 0.02861 -0.04965 -0.01032 0.01802 50 4PZ -0.01303 0.00000 -0.00816 0.01493 -0.00804 51 5PX -0.05298 -0.09797 -0.05792 -0.05367 -0.04946 52 5PY 0.01101 -0.06660 0.11537 0.02241 -0.04885 53 5PZ 0.05226 -0.00837 0.02493 -0.08141 0.03935 54 6PX -0.01017 -0.02497 -0.00187 0.03387 0.15034 55 6PY 0.00459 -0.01718 0.00440 0.05628 0.06428 56 6PZ 0.05908 -0.01991 -0.00381 -0.07611 0.01054 57 7D 0 -0.13227 0.02989 -0.01622 0.00461 -0.00582 58 7D+1 0.02859 0.10674 0.06896 0.01358 0.02361 59 7D-1 0.00370 0.07845 -0.14884 0.00644 0.00602 60 7D+2 0.06983 0.13280 0.04740 -0.03415 -0.03279 61 7D-2 -0.01245 -0.08804 0.04466 -0.01187 0.03824 62 8D 0 -0.04739 0.01086 -0.00591 0.00204 -0.00181 63 8D+1 0.00989 0.03780 0.02362 0.00379 0.00633 64 8D-1 0.00170 0.02703 -0.05056 0.00204 0.00126 65 8D+2 0.02196 0.04367 0.01448 -0.01090 -0.01012 66 8D-2 -0.00512 -0.02794 0.01276 -0.00412 0.01201 67 4 Cu 1S -0.00001 -0.00001 0.00043 -0.00001 -0.00009 68 2S 0.00316 0.00106 0.38297 -0.00019 -0.00381 69 3S 0.00139 0.00035 0.10081 0.00029 -0.00346 70 4PX 0.00525 0.01530 -0.00619 0.01310 0.02674 71 4PY 0.00131 0.00880 0.01137 0.01001 0.01290 72 4PZ -0.01758 0.00518 -0.00095 0.02972 -0.01614 73 5PX -0.01604 -0.04636 -0.00788 -0.04875 -0.09866 74 5PY -0.00363 -0.02643 0.01497 -0.03721 -0.04905 75 5PZ 0.05317 -0.01570 -0.00188 -0.11056 0.06004 76 6PX -0.00137 -0.00359 -0.01940 -0.01666 -0.03542 77 6PY 0.00006 -0.00178 0.03768 -0.01260 -0.01914 78 6PZ 0.00388 -0.00118 -0.00434 -0.03841 0.02244 79 7D 0 -0.05408 0.02530 -0.01467 -0.00767 -0.00140 80 7D+1 -0.09410 0.00718 0.00272 0.03467 0.00575 81 7D-1 0.14111 -0.05165 -0.00485 -0.04915 0.03907 82 7D+2 0.04554 0.14389 -0.01471 0.03459 0.04410 83 7D-2 -0.02784 -0.10214 -0.02134 -0.00512 -0.03607 84 8D 0 -0.01678 0.00765 -0.00819 -0.00193 -0.00048 85 8D+1 -0.03048 0.00360 0.00136 0.01001 0.00134 86 8D-1 0.04724 -0.01653 -0.00248 -0.01434 0.01122 87 8D+2 0.01462 0.04779 -0.00814 0.00999 0.01292 88 8D-2 -0.00980 -0.03342 -0.01197 -0.00164 -0.01049 89 5 Cu 1S 0.00062 -0.00025 -0.00016 -0.00203 0.00108 90 2S 0.30771 -0.12262 -0.14504 0.01267 -0.00059 91 3S 0.11740 -0.04765 -0.09032 -0.06657 0.03123 92 4PX 0.01056 0.01571 0.00479 -0.01723 0.00939 93 4PY -0.00164 0.01098 -0.01120 0.03546 -0.01487 94 4PZ 0.00949 -0.00580 -0.01042 0.00344 -0.00285 95 5PX -0.02526 -0.04770 -0.01695 0.05534 -0.04705 96 5PY 0.00167 -0.03056 0.03536 -0.12338 0.04378 97 5PZ 0.01134 0.00152 0.01465 0.02612 -0.00300 98 6PX 0.01247 -0.01341 -0.00423 0.10380 0.04074 99 6PY -0.02740 0.00610 0.00919 -0.12265 0.10289 100 6PZ 0.01531 -0.00534 -0.00019 -0.01693 0.00353 101 7D 0 0.04610 0.00834 0.05535 -0.02240 0.00956 102 7D+1 -0.05255 -0.12914 -0.02773 0.02506 0.00023 103 7D-1 -0.01735 -0.07229 0.05706 -0.05033 0.02367 104 7D+2 0.00856 -0.02155 0.03794 -0.00192 -0.04176 105 7D-2 0.02095 -0.01386 0.06555 0.02205 0.01970 106 8D 0 0.02006 0.00089 0.01616 -0.00835 0.00341 107 8D+1 -0.01507 -0.04379 -0.01024 0.00922 0.00040 108 8D-1 -0.00860 -0.02300 0.02048 -0.01771 0.00882 109 8D+2 0.00224 -0.00797 0.01162 -0.00045 -0.01150 110 8D-2 0.00630 -0.00362 0.02058 0.00562 0.00574 111 6 Cu 1S 0.00002 0.00002 0.00082 -0.00001 -0.00040 112 2S -0.00301 -0.00085 -0.15758 -0.00033 -0.00709 113 3S 0.00129 -0.00007 0.06134 -0.00042 0.01069 114 4PX 0.01588 0.04572 -0.01757 -0.02065 -0.04299 115 4PY 0.00341 0.02607 0.03241 -0.01610 -0.02064 116 4PZ -0.05233 0.01549 -0.00301 -0.04711 0.02593 117 5PX -0.04487 -0.12801 0.05155 0.09298 0.19330 118 5PY -0.00933 -0.07293 -0.09538 0.07218 0.09150 119 5PZ 0.14638 -0.04306 0.00912 0.21157 -0.11599 120 6PX 0.02028 0.05651 0.00167 -0.07244 -0.16900 121 6PY 0.00476 0.03211 -0.01155 -0.05566 -0.08124 122 6PZ -0.06453 0.01825 0.00459 -0.16918 0.10456 123 7D 0 -0.04461 0.03078 0.08805 -0.04346 0.01726 124 7D+1 -0.00232 -0.06772 -0.01303 -0.08459 0.04200 125 7D-1 -0.07621 -0.01247 0.02541 0.14998 -0.08484 126 7D+2 0.00700 -0.05893 0.08597 -0.08401 -0.14324 127 7D-2 0.03809 0.01276 0.12824 0.04789 0.10454 128 8D 0 -0.01135 0.00835 0.02860 -0.00667 0.00303 129 8D+1 0.00303 -0.02123 -0.00430 -0.01936 0.00665 130 8D-1 -0.02934 -0.00174 0.00843 0.03272 -0.02003 131 8D+2 0.00035 -0.02404 0.02812 -0.01922 -0.03110 132 8D-2 0.01298 0.00827 0.04153 0.00914 0.02277 133 7 Cu 1S -0.00011 0.00067 -0.00013 0.00174 0.00154 134 2S -0.04953 0.32830 -0.14306 -0.01185 -0.00307 135 3S -0.01996 0.12571 -0.08853 0.05786 0.04621 136 4PX 0.00928 -0.00328 0.01426 0.02015 0.01707 137 4PY 0.00427 -0.01096 -0.00465 -0.02746 -0.01955 138 4PZ -0.01812 -0.00646 0.00588 0.00666 0.00336 139 5PX -0.02296 -0.01818 -0.03183 -0.04017 -0.04776 140 5PY -0.00834 0.00504 0.02510 0.11278 0.07726 141 5PZ 0.05483 0.00255 -0.01115 -0.01924 0.00962 142 6PX -0.00428 0.00494 -0.00512 -0.10412 -0.03744 143 6PY 0.00393 -0.03563 0.00843 0.10199 0.09065 144 6PZ 0.00877 -0.00179 -0.00179 0.02759 -0.08495 145 7D 0 -0.10109 -0.00372 0.04436 -0.01984 0.00339 146 7D+1 -0.07577 -0.00004 0.01688 0.01641 0.04542 147 7D-1 -0.07850 0.00086 0.00241 0.01357 -0.02989 148 7D+2 0.03093 0.02904 0.08752 0.05144 0.01674 149 7D-2 0.04726 0.04599 0.05485 -0.01601 0.00086 150 8D 0 -0.03301 -0.00351 0.01437 -0.00590 0.00168 151 8D+1 -0.02495 0.00204 0.00566 0.00608 0.01459 152 8D-1 -0.02742 0.00317 -0.00048 0.00301 -0.00802 153 8D+2 0.01021 0.00731 0.02968 0.01819 0.00713 154 8D-2 0.01537 0.01963 0.01534 -0.00412 0.00000 155 8 Cu 1S -0.00085 -0.00067 0.00084 -0.00064 0.00565 156 2S 0.16341 0.12887 0.05475 -0.01846 0.16232 157 3S -0.06860 -0.05424 0.05425 -0.00467 0.04401 158 4PX -0.01362 0.02111 0.01622 0.00979 0.02335 159 4PY 0.00341 0.02539 -0.05257 0.01020 -0.01179 160 4PZ -0.03374 0.02815 0.01236 0.02213 -0.00510 161 5PX 0.01619 -0.06270 -0.03321 -0.02448 -0.09564 162 5PY -0.00942 -0.06113 0.12370 -0.02690 0.01493 163 5PZ 0.08986 -0.05891 -0.03194 -0.06560 0.03902 164 6PX -0.02672 -0.03893 -0.00590 0.08383 -0.06571 165 6PY -0.01482 -0.02447 0.00669 0.05117 0.02588 166 6PZ 0.04405 0.00420 0.00071 0.12538 0.05018 167 7D 0 0.03354 -0.06847 0.01520 -0.03063 -0.02356 168 7D+1 -0.15924 0.02403 0.01517 -0.00845 -0.01913 169 7D-1 0.02998 -0.12391 0.11962 0.03964 -0.01201 170 7D+2 -0.04112 0.12403 0.10850 -0.01750 -0.01208 171 7D-2 0.03263 0.02847 -0.07026 0.02839 -0.01226 172 8D 0 0.01324 -0.02402 0.00352 -0.00849 -0.00749 173 8D+1 -0.05494 0.00700 0.00451 -0.00300 -0.00652 174 8D-1 0.00930 -0.04053 0.03964 0.01230 -0.00419 175 8D+2 -0.01178 0.04286 0.03559 -0.00574 -0.00386 176 8D-2 0.01161 0.01182 -0.02560 0.00833 -0.00383 177 9 C 1S 0.00014 0.00016 -0.03254 -0.00009 -0.00036 178 2S -0.00033 -0.00040 0.08122 0.00025 0.00070 179 3S -0.00109 -0.00088 0.11632 0.00052 0.00250 180 4PX -0.02621 -0.07317 -0.03524 0.19303 0.41048 181 4PY -0.00313 -0.03980 0.07980 0.15047 0.17401 182 4PZ 0.08267 -0.02481 -0.01255 0.44014 -0.23966 183 5PX -0.01190 -0.03401 -0.00676 0.10891 0.23190 184 5PY -0.00162 -0.01880 0.01748 0.08440 0.09827 185 5PZ 0.03873 -0.01180 -0.00330 0.24813 -0.13547 186 10 O 1S 0.00005 0.00004 0.00623 0.00003 0.00008 187 2S -0.00014 -0.00010 -0.02127 -0.00007 -0.00007 188 3S -0.00028 -0.00029 -0.01404 -0.00027 -0.00089 189 4PX 0.02947 0.08217 0.02056 -0.14194 -0.30144 190 4PY 0.00286 0.04399 -0.05094 -0.11069 -0.12724 191 4PZ -0.09254 0.02803 0.00922 -0.32360 0.17577 192 5PX 0.01859 0.05198 0.00583 -0.10295 -0.21899 193 5PY 0.00183 0.02787 -0.01693 -0.08022 -0.09232 194 5PZ -0.05860 0.01779 0.00370 -0.23471 0.12768 86 87 88 89 90 V V V V V EIGENVALUES -- -0.07931 -0.07077 -0.07059 -0.04250 -0.03085 1 1 Cu 1S 0.00223 -0.00531 -0.00770 -0.00628 -0.00005 2 2S -0.08291 -0.14364 -0.20677 -0.13923 0.01995 3 3S 0.27830 0.03355 0.04730 -0.16037 -0.02838 4 4PX -0.02879 0.00833 0.02952 -0.00259 0.04489 5 4PY -0.03455 0.00685 0.01563 0.02496 -0.02096 6 4PZ -0.01759 0.02603 0.00072 -0.00034 -0.01655 7 5PX 0.08811 -0.03595 -0.12959 -0.03887 -0.17280 8 5PY 0.06424 -0.05936 -0.11179 -0.04142 0.09768 9 5PZ 0.04817 -0.12072 -0.00848 -0.01440 0.04288 10 6PX 0.02312 -0.05664 -0.03578 -0.03225 0.13592 11 6PY 0.01152 -0.06338 -0.07733 -0.02073 -0.11617 12 6PZ 0.01468 0.02258 -0.06359 -0.02452 -0.01905 13 7D 0 -0.04254 0.02581 -0.06526 0.05983 -0.00396 14 7D+1 0.03534 0.06566 -0.01598 -0.00953 0.04517 15 7D-1 0.03862 -0.01450 0.01179 -0.00651 -0.01959 16 7D+2 -0.02711 -0.04113 0.00541 0.06813 0.02126 17 7D-2 0.04428 -0.01912 -0.02037 0.04870 -0.00425 18 8D 0 -0.01199 0.00680 -0.01775 0.01598 -0.00250 19 8D+1 0.00880 0.01687 -0.00387 -0.00153 0.01444 20 8D-1 0.01037 -0.00250 0.00093 -0.00390 -0.00523 21 8D+2 -0.00914 -0.01028 0.00130 0.02135 0.00678 22 8D-2 0.01098 -0.00728 -0.00684 0.00950 -0.00073 23 2 Cu 1S 0.00941 0.01087 -0.00082 -0.00020 0.00034 24 2S 0.15691 0.24349 -0.01830 0.02251 0.00276 25 3S 0.08258 0.21663 -0.01625 0.09221 0.00739 26 4PX -0.04021 -0.02870 0.02753 -0.00360 0.02323 27 4PY -0.01202 -0.00548 0.01836 0.04163 0.01935 28 4PZ 0.02844 0.02371 0.04174 -0.01492 0.04303 29 5PX 0.17839 0.17266 -0.11619 0.01555 -0.08593 30 5PY 0.04918 0.00320 -0.07323 -0.18118 -0.07201 31 5PZ -0.12435 -0.12124 -0.16800 0.06500 -0.16088 32 6PX 0.11828 0.08128 -0.05040 -0.00176 -0.14670 33 6PY 0.01543 0.07665 -0.03707 -0.08432 -0.11915 34 6PZ -0.07531 -0.08654 -0.06937 0.03582 -0.26713 35 7D 0 -0.01070 0.01142 0.03392 -0.00243 0.02075 36 7D+1 -0.05849 0.00543 -0.04192 0.02212 -0.01418 37 7D-1 -0.01763 0.00693 0.03458 0.03138 0.00406 38 7D+2 0.03251 -0.00185 -0.04174 0.00725 -0.01248 39 7D-2 0.01125 0.00858 -0.00700 -0.03389 -0.01131 40 8D 0 -0.00318 0.00323 0.00958 -0.00047 0.00775 41 8D+1 -0.01849 -0.00013 -0.01192 0.00680 -0.00574 42 8D-1 -0.00508 0.00053 0.01016 0.00931 0.00254 43 8D+2 0.01087 -0.00033 -0.01203 0.00207 -0.00514 44 8D-2 0.00351 0.00400 -0.00202 -0.00971 -0.00365 45 3 Cu 1S 0.00226 -0.00411 0.00839 -0.00628 0.00010 46 2S -0.08178 -0.11139 0.22572 -0.13943 -0.02040 47 3S 0.27881 0.02593 -0.05264 -0.15997 0.03103 48 4PX 0.00857 -0.01898 -0.00803 -0.00906 -0.04038 49 4PY -0.00824 -0.01170 -0.00059 0.02039 0.02615 50 4PZ 0.04694 -0.01386 0.03373 -0.01146 0.01841 51 5PX -0.00868 0.09529 0.01559 0.00267 0.14892 52 5PY -0.00386 0.03665 0.03598 -0.01182 -0.12490 53 5PZ -0.11935 0.07447 -0.17577 0.05740 -0.06906 54 6PX -0.00247 -0.03553 -0.04915 0.00756 -0.12350 55 6PY -0.00663 -0.04155 0.02113 0.00836 0.13670 56 6PZ -0.02930 0.05623 -0.09937 0.04446 0.03695 57 7D 0 0.06700 -0.00963 -0.00405 0.02680 -0.01936 58 7D+1 0.03005 0.06060 0.02254 -0.02444 0.00844 59 7D-1 -0.03014 0.02463 0.01240 0.03785 -0.04031 60 7D+2 -0.01285 -0.05780 0.00770 0.04468 0.03062 61 7D-2 -0.02764 0.01722 0.06041 0.07756 0.00083 62 8D 0 0.01675 -0.00357 0.00055 0.00521 -0.00740 63 8D+1 0.00870 0.01642 0.00697 -0.00893 0.00260 64 8D-1 -0.00950 0.00756 0.00265 0.01416 -0.01228 65 8D+2 -0.00390 -0.01379 0.00377 0.01077 0.00958 66 8D-2 -0.00839 0.00291 0.01642 0.01997 0.00129 67 4 Cu 1S 0.00533 0.00013 -0.00001 0.01496 -0.00007 68 2S 0.07813 0.00268 -0.00027 0.24770 -0.00091 69 3S 0.05759 0.00343 -0.00041 0.39777 -0.00112 70 4PX 0.01483 0.01829 0.00940 0.03623 -0.02503 71 4PY -0.02905 0.00802 0.00705 -0.06212 -0.01781 72 4PZ 0.00335 -0.01183 0.01938 0.00432 -0.04899 73 5PX -0.05076 -0.08653 -0.04489 -0.17319 0.08890 74 5PY 0.09995 -0.03822 -0.03353 0.30401 0.06263 75 5PZ -0.01174 0.05602 -0.09231 -0.02347 0.17355 76 6PX -0.04717 0.01418 0.00898 -0.13565 0.14020 77 6PY 0.08974 0.00957 0.00603 0.22382 0.10031 78 6PZ -0.00925 -0.01055 0.01817 -0.01235 0.27449 79 7D 0 -0.03559 0.00968 -0.04015 0.00299 -0.01824 80 7D+1 0.00493 0.03904 0.02785 -0.00163 -0.01842 81 7D-1 -0.01054 0.04024 -0.01899 0.00239 0.03792 82 7D+2 -0.03518 0.01364 0.02738 0.00547 -0.02125 83 7D-2 -0.05110 -0.01983 0.01561 0.00344 0.01773 84 8D 0 -0.01125 0.00285 -0.01163 0.00037 -0.00332 85 8D+1 0.00156 0.01139 0.00731 -0.00034 -0.00779 86 8D-1 -0.00329 0.01080 -0.00439 0.00070 0.01345 87 8D+2 -0.01110 0.00289 0.00714 0.00118 -0.00865 88 8D-2 -0.01618 -0.00497 0.00478 0.00016 0.00476 89 5 Cu 1S 0.00941 -0.00464 0.00974 -0.00030 -0.00535 90 2S 0.15980 -0.10548 0.21876 0.02142 -0.04580 91 3S 0.08198 -0.09336 0.19845 0.09723 -0.12512 92 4PX -0.00562 0.04398 0.01681 -0.01798 0.03980 93 4PY 0.00077 0.02203 0.01137 0.03182 -0.02245 94 4PZ -0.05069 0.01162 -0.03535 0.01623 0.01042 95 5PX 0.02651 -0.18880 -0.04935 0.07793 -0.15021 96 5PY -0.00597 -0.07728 -0.07394 -0.14262 0.08514 97 5PZ 0.22468 -0.07008 0.18949 -0.07270 -0.04901 98 6PX 0.02354 -0.06839 -0.04419 0.03661 -0.24018 99 6PY -0.02059 -0.05770 0.01950 -0.04965 0.12981 100 6PZ 0.13870 -0.05003 0.12193 -0.04152 -0.04428 101 7D 0 0.06707 0.00979 -0.00015 -0.03235 0.01561 102 7D+1 0.01591 -0.03932 -0.02428 0.01376 -0.02091 103 7D-1 -0.00557 -0.02898 -0.00888 -0.03280 0.00920 104 7D+2 -0.00555 -0.04516 -0.01340 0.00534 0.01550 105 7D-2 -0.01188 0.01814 0.02184 0.00275 0.03165 106 8D 0 0.02126 0.00173 0.00216 -0.00957 0.00433 107 8D+1 0.00532 -0.01099 -0.00719 0.00389 -0.00747 108 8D-1 -0.00244 -0.00883 -0.00121 -0.00921 0.00342 109 8D+2 -0.00147 -0.01303 -0.00413 0.00176 0.00190 110 8D-2 -0.00337 0.00539 0.00621 0.00096 0.00710 111 6 Cu 1S -0.00439 0.00012 0.00002 0.00841 -0.00004 112 2S -0.18251 0.00149 0.00071 0.24071 -0.00103 113 3S 0.18386 -0.00310 -0.00107 0.00744 -0.00057 114 4PX -0.01577 0.01397 0.00810 0.00997 0.00668 115 4PY 0.03110 0.00720 0.00596 -0.02332 0.00501 116 4PZ -0.00340 -0.00948 0.01668 0.00383 0.01327 117 5PX 0.05240 -0.04385 -0.02584 -0.05420 -0.01604 118 5PY -0.10684 -0.02150 -0.01955 0.11926 -0.01159 119 5PZ 0.01268 0.02941 -0.05370 -0.01760 -0.03174 120 6PX 0.01343 0.07136 0.03362 -0.04027 0.07879 121 6PY -0.02112 0.03389 0.02515 0.07371 0.05509 122 6PZ 0.00161 -0.04784 0.07039 -0.00883 0.15042 123 7D 0 -0.03585 0.01728 -0.06748 -0.05992 -0.04082 124 7D+1 0.00390 0.06940 0.04009 0.00711 -0.02433 125 7D-1 -0.00788 0.05944 -0.02159 -0.01663 0.05951 126 7D+2 -0.03180 0.01037 0.03921 -0.05730 -0.02908 127 7D-2 -0.05321 -0.02505 0.02899 -0.08700 0.03366 128 8D 0 -0.00752 0.00400 -0.01542 -0.01660 -0.01061 129 8D+1 0.00084 0.01567 0.00851 0.00200 -0.00284 130 8D-1 -0.00152 0.01276 -0.00398 -0.00489 0.01039 131 8D+2 -0.00664 0.00165 0.00827 -0.01606 -0.00377 132 8D-2 -0.01127 -0.00497 0.00679 -0.02393 0.00764 133 7 Cu 1S 0.00937 -0.00602 -0.00899 -0.00032 0.00500 134 2S 0.15876 -0.13652 -0.20158 0.02135 0.04247 135 3S 0.08086 -0.12106 -0.18251 0.09574 0.11713 136 4PX 0.03565 0.00345 -0.03402 -0.03263 -0.02214 137 4PY 0.02986 -0.00651 -0.02224 0.02157 0.03243 138 4PZ 0.02066 -0.04808 0.01466 -0.00880 0.02675 139 5PX -0.15644 -0.00326 0.15328 0.14455 0.07660 140 5PY -0.13460 0.05903 0.13870 -0.09595 -0.12767 141 5PZ -0.09129 0.20614 -0.04611 0.04138 -0.10337 142 6PX -0.08694 0.03703 0.12118 0.06782 0.14697 143 6PY -0.09896 0.00954 0.03655 -0.02705 -0.18178 144 6PZ -0.05256 0.10205 0.00153 0.01264 -0.15907 145 7D 0 -0.02742 -0.02770 0.00528 0.01023 -0.01212 146 7D+1 0.03718 0.00006 0.00792 -0.02908 0.00923 147 7D-1 0.03046 -0.05139 0.03924 -0.00180 0.01077 148 7D+2 0.00136 -0.00860 -0.00423 -0.03653 -0.02867 149 7D-2 0.04349 0.02537 -0.01977 -0.00848 -0.02585 150 8D 0 -0.00841 -0.00743 0.00199 0.00326 -0.00102 151 8D+1 0.01135 -0.00082 0.00066 -0.00855 0.00142 152 8D-1 0.00979 -0.01512 0.01086 -0.00056 0.00495 153 8D+2 -0.00004 -0.00346 -0.00257 -0.01030 -0.00853 154 8D-2 0.01429 0.00667 -0.00656 -0.00263 -0.00616 155 8 Cu 1S 0.00201 0.00928 -0.00068 -0.00619 0.00003 156 2S -0.08895 0.25000 -0.01812 -0.13728 0.00201 157 3S 0.27555 -0.05662 0.00352 -0.15793 -0.00182 158 4PX 0.04038 0.02688 -0.01331 -0.01676 -0.02588 159 4PY 0.00285 0.01216 -0.00885 0.01292 -0.02142 160 4PZ -0.02473 -0.02264 -0.01771 0.00443 -0.04431 161 5PX -0.08964 -0.15842 0.06195 0.04503 0.08099 162 5PY -0.03211 -0.02341 0.03705 0.01984 0.07047 163 5PZ 0.06567 0.11082 0.07803 -0.03423 0.13945 164 6PX -0.01869 -0.10923 -0.01943 0.03708 -0.04641 165 6PY -0.01287 0.00448 -0.01994 -0.00417 -0.04620 166 6PZ 0.01569 0.05634 -0.05153 -0.01957 -0.08176 167 7D 0 -0.02388 0.02735 -0.07032 0.05360 0.02010 168 7D+1 -0.06679 0.01853 -0.00025 0.01357 0.01205 169 7D-1 -0.00692 0.02392 0.04444 0.00008 -0.03521 170 7D+2 0.04320 0.01986 -0.01314 0.01850 0.01774 171 7D-2 -0.01558 0.03578 0.04340 0.08382 -0.01841 172 8D 0 -0.00713 0.00780 -0.01900 0.01414 0.00535 173 8D+1 -0.01746 0.00387 0.00137 0.00514 0.00352 174 8D-1 -0.00107 0.00691 0.01001 -0.00273 -0.01015 175 8D+2 0.01147 0.00748 -0.00211 0.00079 0.00524 176 8D-2 -0.00608 0.01019 0.01110 0.02381 -0.00505 177 9 C 1S 0.00079 0.00020 0.00004 0.03796 -0.00029 178 2S -0.00058 -0.00032 -0.00012 -0.10128 0.00073 179 3S -0.04836 -0.00169 -0.00012 -0.17944 0.00185 180 4PX -0.00473 -0.15678 -0.08401 0.02930 0.15130 181 4PY -0.00484 -0.06542 -0.06320 -0.08130 0.11285 182 4PZ 0.00409 0.10008 -0.17301 0.01880 0.29961 183 5PX 0.00426 -0.09087 -0.04808 -0.00621 0.09529 184 5PY -0.01823 -0.03710 -0.03621 -0.00050 0.07123 185 5PZ 0.00502 0.05766 -0.09895 0.00498 0.18897 186 10 O 1S 0.00338 -0.00017 0.00000 -0.00812 0.00002 187 2S -0.01003 0.00039 0.00001 0.02399 -0.00008 188 3S -0.01542 0.00132 -0.00006 0.04355 -0.00003 189 4PX 0.00737 0.10362 0.05506 -0.01998 -0.08337 190 4PY -0.00290 0.04336 0.04139 0.05341 -0.06219 191 4PZ -0.00273 -0.06625 0.11347 -0.01182 -0.16510 192 5PX 0.00225 0.07943 0.04239 -0.00750 -0.07092 193 5PY 0.00431 0.03303 0.03184 0.02488 -0.05280 194 5PZ -0.00286 -0.05065 0.08724 -0.00694 -0.14042 91 92 93 94 95 V V V V V EIGENVALUES -- -0.03080 -0.00554 -0.00551 -0.00482 0.01920 1 1 Cu 1S -0.00044 0.00016 0.00234 0.00346 -0.00236 2 2S 0.00602 -0.00260 -0.06181 -0.00602 -0.05527 3 3S -0.02692 -0.01486 -0.32303 -0.09155 -0.97809 4 4PX 0.00238 -0.01814 0.00462 -0.05054 0.02051 5 4PY -0.02027 -0.00936 -0.04475 -0.00191 0.00455 6 4PZ 0.04959 0.04254 -0.00721 -0.02209 0.00985 7 5PX -0.03100 0.03167 0.05746 0.15761 -0.09822 8 5PY 0.08616 0.02264 0.22223 0.07947 -0.00437 9 5PZ -0.16344 -0.06561 0.06241 0.08069 -0.04422 10 6PX 0.04243 0.06490 0.10381 0.21240 -0.45665 11 6PY -0.09123 0.03403 0.23443 0.09679 -0.41189 12 6PZ 0.09091 -0.13681 0.08785 0.10639 -0.26431 13 7D 0 -0.02172 -0.01990 0.02305 -0.01882 -0.01797 14 7D+1 -0.00387 0.00024 -0.02789 0.03684 0.01572 15 7D-1 0.02244 -0.07377 -0.01426 -0.00784 0.01547 16 7D+2 0.04008 -0.01082 -0.00051 0.04010 -0.01069 17 7D-2 -0.01077 0.03320 -0.02567 -0.01704 0.01757 18 8D 0 -0.00688 -0.00691 0.00683 -0.00562 -0.00308 19 8D+1 0.00029 -0.00058 -0.00932 0.01177 0.00243 20 8D-1 0.00684 -0.02319 -0.00509 -0.00177 0.00255 21 8D+2 0.01189 -0.00316 -0.00130 0.01275 -0.00218 22 8D-2 -0.00319 0.01048 -0.00995 -0.00364 0.00274 23 2 Cu 1S -0.00606 -0.00321 0.00225 -0.00321 0.00387 24 2S -0.04769 0.08611 -0.05561 -0.01482 0.11645 25 3S -0.13593 0.11124 -0.07144 -0.04284 0.19232 26 4PX 0.03020 0.04654 -0.03107 0.02341 -0.01946 27 4PY -0.03223 0.00506 -0.00225 -0.01398 -0.00986 28 4PZ -0.00067 -0.02853 0.01997 -0.00776 0.01538 29 5PX -0.12260 -0.19353 0.14727 -0.13458 0.12288 30 5PY 0.11944 -0.01958 0.01845 0.08296 0.08071 31 5PZ 0.00863 0.13701 -0.06821 0.04533 -0.10457 32 6PX -0.15734 -0.39897 0.33407 -0.27035 -0.03566 33 6PY 0.18493 -0.07659 0.08126 0.20837 0.21783 34 6PZ -0.00750 0.33308 -0.11993 0.07656 -0.07057 35 7D 0 0.02553 0.02360 0.03222 -0.02214 0.00818 36 7D+1 0.00566 -0.00442 -0.00430 -0.02779 0.02443 37 7D-1 0.00181 -0.01133 -0.01275 0.00068 0.02199 38 7D+2 0.00867 -0.00071 -0.00165 0.01349 0.00236 39 7D-2 0.03625 -0.00712 -0.02146 -0.03384 -0.00984 40 8D 0 0.00586 0.00588 0.00824 -0.00467 0.00162 41 8D+1 0.00076 -0.00313 -0.00147 -0.00754 0.00284 42 8D-1 -0.00144 -0.00166 -0.00166 0.00116 0.00506 43 8D+2 0.00030 0.00011 -0.00269 0.00516 0.00303 44 8D-2 0.00959 -0.00146 -0.00503 -0.00759 -0.00194 45 3 Cu 1S -0.00040 -0.00226 -0.00133 0.00327 -0.00235 46 2S 0.00409 0.05553 0.02757 -0.00123 -0.05522 47 3S -0.02317 0.29186 0.15101 -0.06530 -0.97812 48 4PX -0.03546 -0.03590 0.02824 -0.00996 0.00225 49 4PY -0.04081 0.01827 0.03334 0.03009 -0.00816 50 4PZ -0.00498 -0.02146 -0.01745 0.04521 -0.02155 51 5PX 0.09974 0.10375 -0.02062 0.00331 -0.01829 52 5PY 0.15262 -0.09108 -0.08489 -0.04326 0.05086 53 5PZ 0.02274 0.17289 0.10246 -0.17612 0.09286 54 6PX -0.03264 0.12960 -0.08586 0.00315 0.07993 55 6PY -0.11888 -0.05957 -0.11014 -0.06111 -0.03057 56 6PZ -0.00905 0.21824 0.13387 -0.23080 0.66474 57 7D 0 0.01302 0.04072 0.01099 0.02109 0.02771 58 7D+1 -0.02201 -0.00970 0.04339 -0.01735 0.01222 59 7D-1 0.01901 -0.01707 0.02312 0.04812 -0.01154 60 7D+2 0.02875 -0.03187 0.04817 -0.01711 -0.00641 61 7D-2 -0.02796 0.00462 -0.03395 -0.02106 -0.01234 62 8D 0 0.00451 0.01452 0.00411 0.00825 0.00429 63 8D+1 -0.00602 -0.00339 0.01426 -0.00505 0.00217 64 8D-1 0.00623 -0.00515 0.00781 0.01477 -0.00227 65 8D+2 0.00772 -0.00926 0.01510 -0.00474 -0.00117 66 8D-2 -0.00867 0.00223 -0.00996 -0.00568 -0.00225 67 4 Cu 1S 0.00073 -0.00019 -0.00008 0.00329 0.00134 68 2S 0.01078 0.00129 0.00546 -0.12183 0.09190 69 3S 0.01786 -0.00032 0.00357 -0.08604 0.00995 70 4PX -0.04251 0.00860 -0.02164 0.02358 -0.00078 71 4PY -0.02418 0.00426 -0.01056 -0.04647 0.00017 72 4PZ 0.03055 -0.02420 -0.00980 0.00381 0.00019 73 5PX 0.14775 -0.04200 0.10254 -0.07729 -0.02134 74 5PY 0.09073 -0.01950 0.05400 0.15564 0.04513 75 5PZ -0.10865 0.11637 0.04682 -0.01148 -0.00529 76 6PX 0.24077 -0.10104 0.24513 -0.20517 0.10655 77 6PY 0.13022 -0.04416 0.12495 0.41184 -0.17612 78 6PZ -0.17041 0.27454 0.11067 -0.03168 0.01366 79 7D 0 0.00822 0.02771 0.02055 -0.01462 0.00704 80 7D+1 0.02141 0.02778 -0.01938 0.00200 -0.00119 81 7D-1 -0.01821 -0.00884 -0.01863 -0.00527 0.00182 82 7D+2 -0.03654 -0.01608 0.01706 -0.01516 0.00697 83 7D-2 0.02587 -0.00393 -0.02138 -0.02435 0.01017 84 8D 0 0.00195 0.00575 0.00430 -0.00344 0.00199 85 8D+1 0.00441 0.00587 -0.00392 0.00047 -0.00034 86 8D-1 -0.00849 -0.00210 -0.00392 -0.00126 0.00048 87 8D+2 -0.01265 -0.00342 0.00382 -0.00356 0.00190 88 8D-2 0.00959 -0.00074 -0.00451 -0.00561 0.00293 89 5 Cu 1S 0.00264 0.00350 0.00190 -0.00298 0.00392 90 2S 0.02447 -0.09313 -0.04593 -0.01716 0.11650 91 3S 0.06630 -0.11802 -0.05624 -0.04594 0.18840 92 4PX 0.03117 -0.01064 -0.00478 0.01131 -0.00016 93 4PY 0.04028 0.00815 0.00541 -0.01765 -0.00425 94 4PZ -0.00947 -0.05803 -0.02987 0.01684 -0.02666 95 5PX -0.11409 0.03377 0.04352 -0.06514 -0.00529 96 5PY -0.15171 -0.03999 -0.01183 0.10453 0.04219 97 5PZ 0.04081 0.25287 0.12860 -0.09950 0.17841 98 6PX -0.20172 0.03108 0.12203 -0.14811 -0.10431 99 6PY -0.23846 -0.05120 0.02082 0.24742 0.20214 100 6PZ 0.05447 0.56340 0.28167 -0.17705 0.07838 101 7D 0 -0.00474 -0.00541 0.00374 0.01492 -0.02705 102 7D+1 -0.01780 0.01933 -0.03456 0.01974 0.00204 103 7D-1 -0.02115 0.00438 -0.01719 -0.02868 -0.01595 104 7D+2 -0.01701 -0.00764 0.01429 -0.01640 0.01016 105 7D-2 -0.01330 0.00541 -0.01374 -0.03044 0.01276 106 8D 0 -0.00085 -0.00296 0.00021 0.00508 -0.00288 107 8D+1 -0.00681 0.00448 -0.00959 0.00533 0.00157 108 8D-1 -0.00800 0.00218 -0.00445 -0.00798 -0.00480 109 8D+2 -0.00541 -0.00102 0.00132 -0.00308 0.00250 110 8D-2 -0.00185 0.00056 -0.00217 -0.00608 0.00293 111 6 Cu 1S 0.00021 0.00009 -0.00008 0.00049 0.00158 112 2S 0.00857 -0.00087 -0.00298 0.06544 0.02298 113 3S 0.00352 -0.00475 -0.02080 0.44998 0.60512 114 4PX 0.01319 -0.01711 0.03718 0.00107 -0.00633 115 4PY 0.00301 -0.00424 0.02102 0.00096 0.01105 116 4PZ -0.00782 0.04245 0.01700 0.00140 -0.00104 117 5PX -0.03121 0.03472 -0.07053 -0.03792 0.04789 118 5PY -0.00578 0.00373 -0.04184 0.06782 -0.08708 119 5PZ 0.01813 -0.08157 -0.03303 -0.00992 0.00951 120 6PX 0.12624 -0.02384 0.06666 -0.13753 -0.54354 121 6PY 0.06224 -0.00837 0.02065 0.26132 1.01589 122 6PZ -0.08527 0.06715 0.03071 -0.02159 -0.10009 123 7D 0 0.01204 0.00134 0.00494 0.00862 0.01780 124 7D+1 0.04282 -0.02836 -0.03908 -0.00340 -0.00211 125 7D-1 -0.02392 0.08729 0.02010 0.00505 0.00502 126 7D+2 -0.06162 0.02029 -0.07945 0.00499 0.01669 127 7D-2 0.03377 -0.03269 0.04019 0.01358 0.02617 128 8D 0 0.00273 0.00083 0.00189 -0.00161 0.00064 129 8D+1 0.01106 -0.00768 -0.01144 -0.00036 0.00009 130 8D-1 -0.00199 0.02473 0.00553 0.00031 0.00011 131 8D+2 -0.01143 0.00555 -0.02218 -0.00251 0.00036 132 8D-2 0.00473 -0.00930 0.01139 -0.00215 0.00093 133 7 Cu 1S 0.00323 -0.00019 -0.00373 -0.00327 0.00394 134 2S 0.02938 0.00501 0.10459 -0.00872 0.11667 135 3S 0.08103 0.00496 0.13506 -0.03484 0.18815 136 4PX 0.00923 -0.00235 -0.04061 -0.00435 0.02202 137 4PY 0.03060 -0.00217 -0.04441 -0.03000 0.01102 138 4PZ -0.04006 -0.00015 -0.02481 -0.00649 0.01129 139 5PX -0.03750 -0.00131 0.17825 0.02118 -0.15458 140 5PY -0.11974 0.00509 0.18900 0.17091 -0.06149 141 5PZ 0.14645 0.02656 0.10607 0.03522 -0.07785 142 6PX -0.06102 -0.01847 0.43214 0.00981 -0.18198 143 6PY -0.17381 0.00064 0.36992 0.36418 0.14919 144 6PZ 0.25113 0.10603 0.24242 0.06162 -0.05611 145 7D 0 -0.02841 0.03273 0.00117 -0.03013 0.01689 146 7D+1 -0.00862 0.03134 -0.00014 0.01284 -0.02612 147 7D-1 -0.01604 0.00169 -0.00143 0.01600 -0.00665 148 7D+2 -0.01502 -0.01626 0.00829 -0.03530 -0.01439 149 7D-2 -0.00461 -0.00732 0.00172 0.00446 -0.00552 150 8D 0 -0.00810 0.00819 -0.00019 -0.00671 0.00292 151 8D+1 -0.00391 0.00710 0.00054 0.00286 -0.00474 152 8D-1 -0.00642 0.00303 0.00044 0.00480 0.00015 153 8D+2 -0.00455 -0.00335 0.00157 -0.00877 -0.00374 154 8D-2 0.00112 -0.00282 0.00202 0.00337 0.00160 155 8 Cu 1S -0.00013 0.00210 -0.00153 0.00335 -0.00236 156 2S -0.02788 -0.05114 0.03369 -0.00307 -0.05487 157 3S 0.03367 -0.27381 0.18480 -0.06681 -0.97194 158 4PX 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-0.00302 0.00119 2 2S -0.00031 -0.02531 -0.03893 0.02361 -0.05059 3 3S -0.00277 -0.24612 -0.41004 0.86567 -0.48980 4 4PX 0.01184 -0.01206 -0.00836 0.03169 -0.00588 5 4PY 0.00399 0.01402 0.01980 0.02926 -0.01096 6 4PZ -0.02648 0.00969 -0.00995 0.01798 -0.00275 7 5PX -0.05820 0.08126 0.05497 -0.13023 0.07349 8 5PY -0.01956 -0.05218 -0.08281 -0.12415 0.02999 9 5PZ 0.13078 -0.05965 0.07517 -0.07222 0.02586 10 6PX -0.05009 0.06407 0.19145 0.03569 0.62565 11 6PY -0.01833 -0.26318 -0.32716 0.11365 0.30631 12 6PZ 0.11082 0.09163 -0.04667 0.02494 0.34519 13 7D 0 -0.04859 -0.00877 -0.04014 0.00770 0.04421 14 7D+1 -0.04815 0.01565 -0.00247 -0.01124 -0.02955 15 7D-1 -0.00015 0.01056 -0.00196 -0.02211 -0.00125 16 7D+2 0.02649 -0.03157 -0.03388 0.01038 0.01348 17 7D-2 0.01071 -0.02378 -0.01663 -0.03710 0.02819 18 8D 0 -0.01212 -0.00134 -0.00914 0.00423 0.01200 19 8D+1 -0.01144 0.00260 -0.00213 -0.00557 -0.00708 20 8D-1 -0.00192 0.00322 -0.00122 -0.00719 0.00104 21 8D+2 0.00605 -0.00845 -0.00966 0.00256 0.00359 22 8D-2 0.00342 -0.00643 -0.00381 -0.01109 0.01045 23 2 Cu 1S 0.00000 -0.00141 0.00013 0.00157 -0.00188 24 2S 0.00009 -0.03354 0.00373 -0.06194 -0.07906 25 3S 0.00053 -0.29930 0.03291 -0.70989 -0.80862 26 4PX 0.02732 0.01544 -0.00951 0.00651 0.00038 27 4PY 0.01910 -0.05684 -0.00030 -0.00556 0.02301 28 4PZ 0.04702 0.01221 -0.01478 -0.00166 -0.00960 29 5PX -0.12595 -0.05085 0.04640 0.04465 0.00446 30 5PY -0.08806 0.27099 0.00397 0.06501 -0.06095 31 5PZ -0.21685 -0.07061 0.07859 -0.05172 0.02224 32 6PX -0.41158 -0.18402 0.16339 0.72764 0.39419 33 6PY -0.28666 1.20954 -0.00921 0.29459 -0.32850 34 6PZ -0.70703 -0.34876 0.29758 -0.54073 -0.09847 35 7D 0 -0.02568 -0.01215 0.01124 0.01090 -0.00976 36 7D+1 0.00470 0.00022 -0.01211 0.05202 -0.00601 37 7D-1 0.01126 0.01277 0.00824 0.02076 0.00824 38 7D+2 0.00067 0.00131 -0.01157 -0.02397 0.00813 39 7D-2 0.01544 -0.03110 0.00090 -0.01179 -0.02064 40 8D 0 -0.00108 -0.00121 0.00130 0.00288 -0.00180 41 8D+1 -0.00161 0.00088 -0.00212 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-0.00262 0.05010 62 8D 0 -0.00256 -0.00355 0.00451 -0.01345 0.00167 63 8D+1 0.01493 0.00730 -0.00175 -0.00514 0.00017 64 8D-1 0.00723 -0.00018 0.00888 0.00472 -0.00211 65 8D+2 -0.00480 -0.00211 0.00613 -0.00017 0.01003 66 8D-2 0.00510 -0.00478 0.00979 0.00089 0.01445 67 4 Cu 1S 0.00000 0.00015 -0.00004 0.00062 -0.00211 68 2S 0.00000 -0.00461 0.00137 -0.07584 0.14168 69 3S 0.00010 -0.05216 0.01212 -0.68114 1.67377 70 4PX 0.00020 0.04026 0.02045 -0.00840 0.00024 71 4PY 0.00012 0.01849 0.01530 0.01382 0.00004 72 4PZ 0.00009 -0.02515 0.04394 -0.00033 -0.00022 73 5PX -0.00080 -0.17262 -0.08566 0.00785 0.05541 74 5PY -0.00048 -0.07281 -0.06548 -0.00728 -0.10046 75 5PZ -0.00036 0.10549 -0.18494 -0.00341 0.00909 76 6PX -0.00144 -0.40038 -0.18730 -0.32863 0.55916 77 6PY -0.00067 -0.13622 -0.15507 0.62243 -0.93951 78 6PZ 0.00072 0.23250 -0.41227 -0.06743 0.06415 79 7D 0 -0.00014 0.00973 -0.03086 0.02464 -0.01681 80 7D+1 0.00019 0.03089 0.00531 -0.00454 0.00479 81 7D-1 0.00003 0.01303 0.00795 0.00616 -0.00153 82 7D+2 0.00005 -0.00971 0.00445 0.02472 -0.01589 83 7D-2 0.00008 0.00476 0.01608 0.03731 -0.02775 84 8D 0 -0.00003 0.00186 -0.00576 0.00866 -0.00765 85 8D+1 0.00005 0.00546 0.00341 -0.00139 0.00151 86 8D-1 0.00000 0.00516 -0.00220 0.00211 -0.00134 87 8D+2 0.00003 0.00184 0.00322 0.00848 -0.00724 88 8D-2 0.00001 -0.00132 0.00213 0.01298 -0.01191 89 5 Cu 1S 0.00000 0.00076 -0.00141 0.00143 -0.00174 90 2S -0.00032 0.01719 -0.03325 -0.06488 -0.07576 91 3S -0.00426 0.11945 -0.26937 -0.73902 -0.75632 92 4PX -0.05078 -0.02381 0.01808 0.00543 -0.01037 93 4PY -0.02706 0.01384 -0.05006 -0.00881 0.02118 94 4PZ 0.00508 0.00543 -0.00841 0.00432 0.00983 95 5PX 0.23441 0.11851 -0.07837 -0.02351 0.03415 96 5PY 0.12494 -0.05988 0.23469 0.05654 -0.06035 97 5PZ -0.02286 -0.03141 0.05804 0.08450 -0.01676 98 6PX 0.76339 0.46937 -0.38332 0.01615 0.30887 99 6PY 0.40960 -0.31123 1.06262 0.13895 -0.47223 100 6PZ -0.07426 -0.15465 0.31053 0.97207 0.26773 101 7D 0 0.00436 0.00463 -0.00865 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-0.13974 180 4PX 0.00078 0.15400 0.07789 -0.01628 -0.00082 181 4PY 0.00042 0.06532 0.05946 0.02506 0.01022 182 4PZ 0.00032 -0.09451 0.16848 0.00051 -0.00370 183 5PX 0.00052 0.11096 0.05567 0.01623 0.05142 184 5PY 0.00025 0.04359 0.04327 -0.03834 -0.09571 185 5PZ 0.00015 -0.06673 0.12074 0.00783 0.00986 186 10 O 1S 0.00000 0.00127 -0.00027 -0.00062 -0.02890 187 2S 0.00000 -0.00357 0.00074 0.00399 0.08659 188 3S -0.00002 -0.00769 0.00156 -0.00423 0.13774 189 4PX -0.00026 -0.04872 -0.02361 0.00469 -0.00449 190 4PY -0.00014 -0.02194 -0.01792 -0.00721 0.01021 191 4PZ -0.00011 0.03060 -0.05141 -0.00013 -0.00189 192 5PX -0.00030 -0.05995 -0.02977 0.00026 0.00738 193 5PY -0.00016 -0.02460 -0.02308 0.00261 -0.01757 194 5PZ -0.00012 0.03653 -0.06468 -0.00186 0.00275 101 102 103 104 105 V V V V V EIGENVALUES -- 0.04219 0.04223 0.04459 0.04469 0.04949 1 1 Cu 1S -0.00086 -0.00136 0.00272 0.00218 -0.00060 2 2S -0.11155 -0.18830 -0.02811 -0.02187 -0.00378 3 3S -1.52070 -2.55774 -0.51774 -0.40216 0.01015 4 4PX 0.00215 0.01685 -0.02105 0.00072 0.00679 5 4PY 0.00479 0.01238 -0.01401 -0.00485 0.00998 6 4PZ 0.01829 -0.00080 0.01194 -0.03065 -0.02288 7 5PX 0.06398 0.02542 0.12671 -0.00537 -0.01795 8 5PY 0.05657 0.06303 0.13926 0.07098 -0.03778 9 5PZ -0.06642 0.08356 -0.06553 0.19130 0.05813 10 6PX -0.07899 -0.27718 1.76680 0.70163 -0.66068 11 6PY 0.30716 0.47224 0.54132 0.17810 -1.01131 12 6PZ -0.19363 0.07969 -0.06913 1.57680 2.54526 13 7D 0 0.01169 -0.01499 -0.01149 0.02393 0.00664 14 7D+1 0.02025 -0.00623 -0.03070 0.01715 0.00361 15 7D-1 0.00015 0.00355 0.00102 -0.03111 -0.00772 16 7D+2 -0.01217 0.00249 0.01311 -0.01630 -0.00456 17 7D-2 -0.00366 0.00334 -0.03036 -0.01734 0.01112 18 8D 0 0.00720 -0.00771 -0.00537 0.00636 -0.00025 19 8D+1 0.00978 -0.00548 -0.00797 0.00681 -0.00084 20 8D-1 -0.00243 -0.00045 0.00199 -0.00745 -0.00236 21 8D+2 -0.00677 0.00129 0.00306 -0.00589 -0.00028 22 8D-2 -0.00487 -0.00414 -0.00623 -0.00326 0.00259 23 2 Cu 1S 0.00067 -0.00001 0.00015 -0.00112 0.00047 24 2S 0.09790 -0.00155 -0.01585 0.10829 -0.01323 25 3S 1.03477 -0.01705 -0.28940 2.00574 -0.36889 26 4PX 0.00557 0.00620 0.00664 -0.02820 0.00488 27 4PY 0.00705 0.00426 0.00054 0.00943 0.03331 28 4PZ -0.00582 0.01092 0.00268 0.01337 -0.00538 29 5PX -0.10782 0.00692 0.00695 0.03183 0.00861 30 5PY -0.01249 0.00410 0.01523 -0.05500 -0.17526 31 5PZ 0.06816 0.00775 0.01715 0.00861 0.00749 32 6PX -0.72464 0.51909 -0.56008 -0.69655 -0.11774 33 6PY -0.18948 0.35778 -0.52739 0.50946 2.51021 34 6PZ 0.51652 0.86230 -1.13270 -0.05149 -0.16171 35 7D 0 0.00447 0.03178 0.00924 -0.01380 0.00119 36 7D+1 -0.01235 -0.04083 0.01953 -0.00486 0.00235 37 7D-1 0.01033 0.03572 -0.03144 -0.00057 0.01732 38 7D+2 0.02209 -0.04213 0.02232 0.00557 0.00693 39 7D-2 0.00175 -0.00468 -0.00897 -0.02666 -0.04086 40 8D 0 -0.00010 0.01016 0.00503 -0.00361 0.00098 41 8D+1 -0.00680 -0.01052 0.00218 -0.00837 0.00245 42 8D-1 0.00295 0.00791 -0.00447 0.00010 0.00388 43 8D+2 0.00866 -0.01059 0.00095 0.00663 0.00035 44 8D-2 -0.00097 -0.00248 -0.00264 -0.00567 -0.00710 45 3 Cu 1S -0.00083 0.00140 -0.00323 0.00134 -0.00178 46 2S -0.10462 0.19221 0.03377 -0.01342 -0.01403 47 3S -1.42358 2.60943 0.61937 -0.24504 0.00289 48 4PX -0.01457 -0.00551 0.00875 0.02933 0.00358 49 4PY -0.00706 -0.00434 0.00679 0.01513 0.02986 50 4PZ -0.00972 0.01988 -0.02261 0.00606 -0.00362 51 5PX 0.07066 0.06807 -0.02571 -0.18823 0.00953 52 5PY 0.05966 0.00153 -0.08604 -0.07398 -0.10910 53 5PZ -0.05389 0.08286 0.17403 -0.05090 0.02808 54 6PX 0.01661 0.36315 -0.58278 -1.10423 -0.50313 55 6PY 0.35820 -0.42584 0.34990 -0.87267 -3.13511 56 6PZ -0.02732 0.06556 1.89720 -0.64873 0.04021 57 7D 0 -0.00082 -0.00656 0.03445 -0.01812 0.01150 58 7D+1 0.02152 0.00833 0.01893 0.01801 0.00517 59 7D-1 0.00798 0.00723 -0.00533 0.01058 -0.01048 60 7D+2 -0.01369 -0.00295 -0.00883 -0.03573 0.00772 61 7D-2 0.00505 0.00997 0.01578 0.02471 0.02579 62 8D 0 -0.00402 0.00273 0.00613 -0.00379 0.00162 63 8D+1 0.01050 0.00612 0.00427 0.00687 -0.00058 64 8D-1 0.00493 0.00247 0.00026 0.00289 -0.00294 65 8D+2 -0.00838 -0.00090 -0.00234 -0.01079 0.00171 66 8D-2 0.00301 0.00706 0.00555 0.00709 0.00477 67 4 Cu 1S 0.00007 -0.00001 0.00001 -0.00003 0.00002 68 2S -0.00695 0.00026 -0.00079 0.00352 -0.00448 69 3S -0.08412 0.00269 -0.01293 0.04970 -0.06347 70 4PX -0.00388 -0.00227 0.00971 0.02221 0.00704 71 4PY -0.00102 -0.00171 0.00778 0.00991 0.00424 72 4PZ 0.00270 -0.00423 0.02393 -0.01221 -0.01056 73 5PX 0.07355 0.04580 -0.03461 -0.07796 -0.04739 74 5PY 0.03596 0.03313 -0.02695 -0.03673 -0.02263 75 5PZ -0.05579 0.08281 -0.08412 0.04340 0.06670 76 6PX 0.33849 0.21786 0.04659 0.13525 1.84067 77 6PY 0.20965 0.15530 0.04073 0.04662 0.76894 78 6PZ -0.27224 0.39470 0.11902 -0.06889 -2.50932 79 7D 0 0.00603 -0.02250 0.03789 -0.00855 -0.00111 80 7D+1 0.01799 0.03446 -0.00227 -0.03857 -0.01173 81 7D-1 0.04475 -0.03456 -0.01280 -0.01363 0.04999 82 7D+2 0.03069 0.03566 -0.00447 0.01661 0.02749 83 7D-2 -0.02898 0.00138 -0.02071 -0.00670 -0.02750 84 8D 0 0.00117 -0.00440 0.00768 -0.00198 0.00005 85 8D+1 0.00312 0.00906 0.00138 -0.00781 -0.00169 86 8D-1 0.01169 -0.01008 -0.00544 -0.00087 0.00777 87 8D+2 0.00933 0.00961 0.00086 0.00589 0.00428 88 8D-2 -0.00788 -0.00064 -0.00458 -0.00350 -0.00404 89 5 Cu 1S -0.00020 0.00054 -0.00100 0.00035 -0.00033 90 2S -0.04366 0.08311 0.10398 -0.04225 0.01070 91 3S -0.44000 0.85801 1.92478 -0.78860 0.32028 92 4PX 0.01141 0.00413 -0.00810 0.00817 -0.00999 93 4PY 0.00207 0.00767 0.01465 -0.00308 -0.03016 94 4PZ -0.00642 0.00836 -0.02589 0.01014 -0.01056 95 5PX 0.01796 -0.01365 0.03599 0.00817 0.04776 96 5PY -0.00132 0.01615 -0.04861 0.03215 0.16286 97 5PZ 0.06003 -0.11052 0.00350 -0.00355 0.02252 98 6PX 0.83466 0.39440 -0.81451 -1.00536 -0.58561 99 6PY 0.46007 0.20865 0.36974 -0.88385 -2.27616 100 6PZ 0.34182 -0.83098 -0.32464 0.26415 -0.38344 101 7D 0 -0.00118 0.01899 -0.00250 0.00071 0.00916 102 7D+1 -0.04341 -0.01254 0.01020 -0.00380 0.01661 103 7D-1 -0.01706 -0.02701 -0.01511 0.01146 0.03900 104 7D+2 -0.04406 -0.01650 0.00506 0.03783 -0.00360 105 7D-2 0.02009 0.01987 -0.02588 -0.01753 0.01871 106 8D 0 -0.00165 0.00807 0.00721 -0.00225 0.00324 107 8D+1 -0.01396 -0.00220 0.00366 -0.00541 0.00345 108 8D-1 -0.00360 -0.00986 -0.00693 0.00126 0.00699 109 8D+2 -0.01015 -0.00396 -0.00021 0.00534 -0.00101 110 8D-2 0.00467 0.00359 -0.00569 -0.00189 0.00242 111 6 Cu 1S -0.00016 0.00000 0.00002 -0.00007 0.00006 112 2S -0.00497 -0.00009 -0.00002 0.00080 0.00006 113 3S -0.08258 0.00308 -0.00237 0.03416 -0.02952 114 4PX -0.00899 -0.00538 0.00338 0.00722 -0.02476 115 4PY -0.00383 -0.00388 0.00271 0.00296 -0.00927 116 4PZ 0.00657 -0.00973 0.00830 -0.00392 0.03305 117 5PX 0.04588 0.03057 -0.03826 -0.08065 0.12081 118 5PY 0.02822 0.02138 -0.02852 -0.04013 0.05138 119 5PZ -0.03744 0.05525 -0.09247 0.04605 -0.16471 120 6PX -0.15121 -0.13582 -0.10349 -0.24537 1.61842 121 6PY -0.18999 -0.08902 -0.09959 -0.04192 0.59783 122 6PZ 0.15616 -0.23354 -0.27897 0.11752 -2.13392 123 7D 0 0.00901 -0.02368 -0.02996 0.00671 -0.01671 124 7D+1 0.02484 0.00788 -0.00327 0.02933 -0.02633 125 7D-1 0.01245 0.00471 0.01783 0.00451 0.00655 126 7D+2 -0.00608 0.00533 -0.00125 -0.02064 0.01810 127 7D-2 0.00000 0.01275 0.01770 0.01078 -0.00448 128 8D 0 0.00410 -0.01006 -0.00893 0.00183 -0.00295 129 8D+1 0.01052 0.00213 -0.00074 0.00898 -0.00497 130 8D-1 0.00382 0.00370 0.00498 0.00173 0.00171 131 8D+2 -0.00391 0.00086 -0.00007 -0.00590 0.00372 132 8D-2 0.00157 0.00585 0.00530 0.00258 -0.00088 133 7 Cu 1S -0.00021 -0.00053 0.00086 0.00062 -0.00010 134 2S -0.04721 -0.08167 -0.08757 -0.06920 0.00453 135 3S -0.48204 -0.84876 -1.61982 -1.28956 0.13256 136 4PX 0.01074 0.00618 -0.00983 -0.00525 -0.00561 137 4PY 0.00137 -0.00018 -0.02398 -0.01791 -0.00755 138 4PZ -0.00749 0.01033 -0.00414 -0.00953 0.03059 139 5PX -0.03900 -0.07159 -0.03007 -0.01182 0.03932 140 5PY -0.04198 -0.07572 0.04260 0.03813 0.04806 141 5PZ -0.03412 -0.03714 0.00857 -0.02089 -0.15686 142 6PX 0.02491 -0.79377 0.43382 -0.35785 -0.46885 143 6PY -0.11318 -0.48972 -0.54880 -0.70030 -0.65285 144 6PZ -1.00521 0.18064 -0.82479 0.97271 2.11812 145 7D 0 -0.02029 0.01071 0.01697 0.00344 0.03472 146 7D+1 -0.00206 0.00229 0.01088 -0.01442 0.03301 147 7D-1 -0.06113 0.02350 -0.02606 0.02501 0.00681 148 7D+2 0.00048 0.01017 0.00995 0.02632 -0.00615 149 7D-2 0.01513 -0.03610 0.01188 -0.00755 -0.00783 150 8D 0 -0.00567 0.00535 0.00731 0.00081 0.00582 151 8D+1 -0.00258 0.00041 0.00016 -0.00585 0.00629 152 8D-1 -0.01663 0.00381 -0.00606 -0.00084 0.00174 153 8D+2 0.00239 0.00424 0.00369 0.00655 -0.00102 154 8D-2 0.00241 -0.01192 -0.00410 -0.00373 -0.00127 155 8 Cu 1S 0.00147 -0.00003 0.00048 -0.00337 0.00228 156 2S 0.22156 -0.00379 -0.00565 0.03429 0.01931 157 3S 3.00252 -0.04968 -0.10087 0.63302 0.00245 158 4PX 0.01706 -0.00879 0.01881 -0.01627 0.01212 159 4PY 0.00409 -0.00600 0.01191 -0.00244 -0.03288 160 4PZ -0.01182 -0.01434 0.02619 0.01650 -0.00266 161 5PX 0.09584 0.05126 -0.12236 0.15141 -0.07248 162 5PY 0.00050 0.03676 -0.06612 -0.02642 0.13144 163 5PZ -0.05415 0.09087 -0.15652 -0.11339 0.01283 164 6PX 0.35595 0.10894 -0.83546 1.17773 -0.84426 165 6PY -0.51156 0.08821 -0.61341 1.04759 3.36555 166 6PZ 0.00270 0.19306 -0.95436 -1.36230 0.08207 167 7D 0 0.00231 -0.02300 -0.02891 -0.00198 -0.01701 168 7D+1 0.00556 0.00285 -0.00501 -0.02946 0.00282 169 7D-1 0.00117 0.01186 0.03254 0.00493 -0.02077 170 7D+2 -0.00290 -0.00072 -0.01989 0.02611 -0.02689 171 7D-2 0.00281 0.01445 0.02149 0.01396 -0.01718 172 8D 0 0.00232 -0.01258 -0.00962 0.00020 -0.00402 173 8D+1 -0.00166 0.00113 -0.00168 -0.00481 -0.00013 174 8D-1 0.00098 0.00715 0.00977 0.00159 -0.00443 175 8D+2 0.00389 -0.00110 -0.00526 0.00475 -0.00476 176 8D-2 0.00420 0.00802 0.00681 0.00457 -0.00268 177 9 C 1S -0.00052 0.00003 0.00001 -0.00025 0.00000 178 2S 0.00014 -0.00001 -0.00022 0.00149 -0.00057 179 3S 0.00604 -0.00048 0.00092 -0.00164 0.00216 180 4PX -0.06992 -0.04231 0.03887 0.09022 -0.06324 181 4PY -0.02911 -0.03042 0.03112 0.03888 -0.02229 182 4PZ 0.05096 -0.07636 0.09545 -0.04933 0.08268 183 5PX -0.06349 -0.03566 0.03151 0.07616 -0.06759 184 5PY -0.01629 -0.02650 0.02638 0.02911 -0.01821 185 5PZ 0.04229 -0.06500 0.07862 -0.04061 0.08425 186 10 O 1S 0.00101 -0.00002 -0.00010 0.00039 0.00071 187 2S -0.00316 0.00008 0.00025 -0.00099 -0.00216 188 3S -0.00357 -0.00008 0.00069 -0.00257 -0.00281 189 4PX 0.02537 0.01644 0.00314 0.00770 0.03905 190 4PY 0.01084 0.01177 0.00242 0.00376 0.01441 191 4PZ -0.01844 0.02962 0.00812 -0.00449 -0.05266 192 5PX 0.03038 0.01898 -0.00954 -0.02271 0.03131 193 5PY 0.01368 0.01357 -0.00771 -0.00981 0.01071 194 5PZ -0.02250 0.03422 -0.02348 0.01248 -0.04133 106 107 108 109 110 V V V V V EIGENVALUES -- 0.04951 0.06113 0.06808 0.07005 0.07009 1 1 Cu 1S 0.00236 0.00085 -0.00141 0.00175 0.00418 2 2S 0.01976 0.09411 0.02407 -0.00273 -0.01434 3 3S 0.00897 1.08387 0.53561 -0.36278 -0.95986 4 4PX 0.01893 -0.00076 -0.04382 -0.02533 0.01181 5 4PY -0.02897 -0.00800 0.02695 0.01083 0.04052 6 4PZ -0.00242 -0.00200 -0.02042 0.05134 -0.01618 7 5PX -0.06104 -0.00518 0.28880 0.23648 0.03506 8 5PY 0.13271 0.02671 -0.23735 -0.01699 -0.14955 9 5PZ 0.01045 0.00579 0.12885 -0.34197 0.19331 10 6PX -2.23771 0.31208 0.21449 0.88288 1.62428 11 6PY 2.65457 -0.34850 -1.44533 0.24473 0.74726 12 6PZ 0.09362 0.09306 -0.08186 0.11708 0.98708 13 7D 0 -0.01870 -0.01074 -0.01732 -0.01404 0.00176 14 7D+1 0.01334 -0.01635 0.02235 0.00894 0.00427 15 7D-1 -0.01171 0.00343 0.00455 -0.04841 0.01791 16 7D+2 -0.00216 -0.04317 0.01153 -0.00395 0.01211 17 7D-2 -0.03211 -0.01141 -0.00851 0.01778 -0.01641 18 8D 0 -0.00436 -0.00501 -0.00207 -0.00051 -0.00145 19 8D+1 0.00301 -0.00240 0.00233 0.00306 -0.00070 20 8D-1 -0.00207 0.00082 -0.00002 -0.00803 0.00185 21 8D+2 0.00008 -0.01119 0.00182 -0.00225 0.00118 22 8D-2 -0.00541 -0.00433 -0.00209 0.00094 -0.00520 23 2 Cu 1S -0.00014 -0.00071 0.00132 0.00220 0.00022 24 2S 0.00419 -0.01203 -0.02152 -0.03438 -0.00329 25 3S 0.11478 -0.76510 -0.90326 -1.25806 -0.11918 26 4PX 0.01411 -0.00296 0.02309 0.07281 0.01840 27 4PY 0.00116 -0.00941 -0.02975 0.01076 0.00925 28 4PZ 0.02861 0.00575 -0.00085 -0.04964 0.01390 29 5PX -0.08606 0.05935 -0.05761 -0.33931 -0.07449 30 5PY -0.00681 0.06796 0.15641 -0.04185 -0.03441 31 5PZ -0.14630 -0.06310 -0.03220 0.22476 -0.04491 32 6PX 1.15018 0.46733 -0.00748 0.88796 -0.37530 33 6PY 0.03759 -0.82386 0.94058 -0.42090 -0.38234 34 6PZ 1.96961 0.06315 -0.39116 -0.21970 -0.82351 35 7D 0 0.04179 -0.00980 -0.02337 0.00505 -0.02298 36 7D+1 -0.01205 -0.01727 -0.00844 0.00489 0.00313 37 7D-1 -0.01825 -0.03974 -0.01107 -0.00494 0.01280 38 7D+2 -0.00733 -0.02676 -0.01608 -0.00657 -0.00203 39 7D-2 -0.01176 0.01903 -0.02693 0.00420 0.01579 40 8D 0 0.00721 -0.00016 -0.00442 0.00237 -0.00125 41 8D+1 -0.00293 -0.00427 0.00023 0.00761 -0.00303 42 8D-1 -0.00325 -0.00587 -0.00552 0.00107 0.00671 43 8D+2 -0.00121 -0.00161 -0.00819 -0.00346 -0.00500 44 8D-2 -0.00209 0.00539 -0.00299 0.00013 0.00268 45 3 Cu 1S -0.00164 0.00082 -0.00151 0.00256 -0.00371 46 2S -0.01487 0.09400 0.02409 -0.00558 0.01269 47 3S -0.01917 1.08913 0.55015 -0.54916 0.85077 48 4PX -0.02774 0.00352 -0.01725 -0.05457 -0.01743 49 4PY 0.01274 -0.00491 0.04539 -0.00365 -0.03888 50 4PZ 0.00002 0.00558 0.02631 -0.00838 0.02409 51 5PX 0.09187 -0.01441 0.13771 0.37447 0.16057 52 5PY -0.06643 0.01921 -0.34236 0.04743 0.25312 53 5PZ 0.01576 -0.01101 -0.13605 -0.06146 -0.00028 54 6PX 2.89076 0.22018 0.65186 0.29750 0.15517 55 6PY -1.20245 -0.42518 -1.15850 -0.23893 0.45681 56 6PZ -0.33577 -0.06628 0.68485 -1.23894 1.75749 57 7D 0 0.01072 -0.02186 0.01418 0.00505 0.00298 58 7D+1 0.00347 0.01679 -0.00239 -0.02473 -0.01096 59 7D-1 -0.00861 -0.03584 0.01737 -0.00778 -0.02063 60 7D+2 0.02320 -0.00689 -0.01152 -0.03791 -0.02089 61 7D-2 0.01492 -0.01732 -0.01908 0.01574 0.01851 62 8D 0 0.00104 -0.00513 0.00077 -0.00140 0.00251 63 8D+1 0.00218 0.00419 -0.00089 -0.00192 -0.00002 64 8D-1 -0.00105 -0.00841 0.00261 -0.00033 -0.00237 65 8D+2 0.00445 -0.00363 -0.00143 -0.00760 -0.00291 66 8D-2 0.00327 -0.00698 -0.00250 0.00226 0.00509 67 4 Cu 1S -0.00002 -0.00126 -0.00185 -0.00019 0.00001 68 2S 0.00117 -0.05402 0.09591 0.00532 -0.00022 69 3S 0.01730 -0.40856 2.31645 0.15873 -0.00870 70 4PX -0.00880 -0.00664 0.03890 0.02201 0.01525 71 4PY -0.00585 0.01123 -0.07516 0.00339 0.01033 72 4PZ -0.00834 -0.00061 0.00845 -0.01773 0.02105 73 5PX 0.05637 -0.00535 -0.15071 -0.08100 -0.05544 74 5PY 0.03600 0.01399 0.28803 -0.01025 -0.03726 75 5PZ 0.05259 -0.00308 -0.03137 0.06402 -0.07634 76 6PX -2.13193 -0.64463 0.10817 -0.20090 -0.15315 77 6PY -1.34471 1.31066 -0.04142 -0.05842 -0.10615 78 6PZ -1.98021 -0.17346 -0.06333 0.17632 -0.21319 79 7D 0 0.00258 0.02272 0.00508 0.01124 -0.02123 80 7D+1 -0.02909 -0.00312 -0.00227 0.02234 0.00730 81 7D-1 0.02952 0.00700 0.00210 0.00680 0.00921 82 7D+2 -0.04548 0.02253 0.00687 -0.00953 0.00035 83 7D-2 0.02006 0.03267 0.00768 0.00149 0.01307 84 8D 0 0.00048 0.00643 -0.00544 0.00284 -0.00699 85 8D+1 -0.00459 -0.00089 0.00031 0.00643 0.00578 86 8D-1 0.00453 0.00177 -0.00175 0.00695 -0.00142 87 8D+2 -0.00707 0.00628 -0.00506 0.00046 0.00462 88 8D-2 0.00298 0.00940 -0.00753 -0.00383 0.00253 89 5 Cu 1S -0.00034 -0.00088 0.00140 -0.00117 0.00172 90 2S 0.00843 -0.01369 -0.02806 0.01560 -0.02540 91 3S 0.25650 -0.78464 -1.06020 0.59906 -0.94396 92 4PX 0.02914 0.00304 0.01758 0.01106 0.02146 93 4PY -0.00809 -0.00847 -0.03357 0.00940 0.00168 94 4PZ -0.01338 -0.00730 0.02044 -0.05138 0.06905 95 5PX -0.15999 -0.01390 -0.07870 -0.03153 -0.09106 96 5PY 0.04710 0.05044 0.16036 -0.03908 0.00535 97 5PZ 0.04397 0.09792 -0.03057 0.24269 -0.32411 98 6PX 2.17522 0.45640 -0.30747 -0.96639 -0.16625 99 6PY -0.72524 -0.79942 0.78954 0.08692 -0.81771 100 6PZ -0.62244 0.10736 0.53876 -0.26949 0.57752 101 7D 0 0.01825 0.01806 -0.00764 -0.00090 -0.00545 102 7D+1 -0.04139 -0.01597 0.00306 0.02218 0.00887 103 7D-1 0.00923 0.04103 -0.00353 0.00335 0.01312 104 7D+2 0.01101 -0.01842 -0.02097 -0.01356 -0.00590 105 7D-2 -0.00059 -0.01944 -0.03297 0.00404 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5PY 0.04293 -0.14939 0.09854 -0.01572 -0.03299 185 5PZ 0.06663 0.01614 -0.01224 0.05791 -0.06816 186 10 O 1S -0.00020 -0.01332 0.01664 0.00114 -0.00002 187 2S 0.00063 0.04539 -0.05382 -0.00365 0.00004 188 3S 0.00057 0.01639 -0.05907 -0.00437 0.00028 189 4PX -0.04541 0.02717 0.00324 0.02544 0.01766 190 4PY -0.02834 -0.04742 -0.01103 0.00824 0.01204 191 4PZ -0.04269 0.00366 0.00317 -0.02196 0.02366 192 5PX -0.03576 0.02814 -0.00163 0.03028 0.02252 193 5PY -0.02211 -0.05560 0.00379 0.01122 0.01532 194 5PZ -0.03330 0.00653 -0.00017 -0.02727 0.03073 111 112 113 114 115 V V V V V EIGENVALUES -- 0.08091 0.08096 0.08225 0.08552 0.08571 1 1 Cu 1S 0.00132 0.00088 0.00064 -0.00006 -0.00027 2 2S -0.03343 -0.02145 -0.03621 -0.00091 -0.00710 3 3S -1.10035 -0.71668 -0.57163 -0.02596 -0.17469 4 4PX -0.01222 -0.00013 0.04517 0.00631 0.00028 5 4PY -0.01106 -0.00510 0.01731 0.00208 0.00115 6 4PZ 0.00080 -0.01263 0.02352 -0.01528 -0.00533 7 5PX 0.09548 0.03315 -0.26715 -0.02487 -0.03656 8 5PY 0.08077 0.04608 -0.05936 -0.00594 -0.00327 9 5PZ 0.02776 0.06055 -0.13227 0.05361 0.05507 10 6PX 0.83187 1.06995 1.42922 -2.95751 3.70605 11 6PY 1.20555 0.85628 -1.14825 -1.45320 -1.60481 12 6PZ 1.12003 -0.29291 0.54834 7.55346 -2.51973 13 7D 0 -0.01110 0.02438 0.00763 -0.02459 0.01034 14 7D+1 -0.02272 0.00263 -0.03004 -0.01951 -0.00361 15 7D-1 -0.02622 0.02032 0.00087 -0.01876 0.02363 16 7D+2 -0.00833 -0.01434 -0.03809 0.00597 -0.01051 17 7D-2 -0.00967 -0.02793 0.00290 0.01257 -0.01462 18 8D 0 -0.00290 0.00546 0.00428 -0.00317 0.00029 19 8D+1 -0.00508 -0.00006 -0.00733 -0.00344 0.00016 20 8D-1 -0.00646 0.00613 -0.00049 0.00118 0.00258 21 8D+2 -0.00325 -0.00350 -0.00555 0.00196 -0.00002 22 8D-2 -0.00164 -0.00672 0.00179 0.00019 -0.00138 23 2 Cu 1S -0.00007 0.00131 0.00225 -0.00001 -0.00139 24 2S 0.00381 -0.06624 0.02606 0.00010 -0.02776 25 3S 0.11563 -2.02330 0.33623 0.00513 -0.50008 26 4PX 0.00379 -0.01135 -0.01135 0.00764 -0.00872 27 4PY 0.00257 -0.00592 -0.00065 0.00537 -0.00613 28 4PZ 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4PX 0.00250 0.01158 0.00127 -0.01460 0.00301 49 4PY 0.00483 0.00346 -0.01365 -0.00792 0.00388 50 4PZ -0.01600 0.00529 -0.05201 0.00092 0.00244 51 5PX -0.00062 -0.04304 -0.02647 0.05254 -0.05636 52 5PY -0.01634 -0.00935 0.11054 0.02593 -0.01228 53 5PZ 0.13449 -0.05565 0.28158 -0.00417 0.00956 54 6PX 0.72847 0.65076 0.71236 7.03471 4.85100 55 6PY -0.11946 0.49664 -1.62544 4.27844 -2.61345 56 6PZ 1.78374 -1.00167 -0.64623 -0.60159 -1.53438 57 7D 0 0.02622 -0.02201 -0.02324 -0.00467 -0.01464 58 7D+1 0.01868 0.03499 0.01389 0.03310 0.02275 59 7D-1 0.01646 0.01416 -0.03987 0.01989 -0.00516 60 7D+2 0.00918 0.01235 0.00721 0.00430 0.01356 61 7D-2 0.00208 -0.00676 0.00570 0.00162 -0.01087 62 8D 0 0.00592 -0.00513 -0.00497 -0.00056 -0.00022 63 8D+1 0.00378 0.00855 0.00179 0.00337 0.00160 64 8D-1 0.00503 0.00303 -0.00698 0.00150 0.00056 65 8D+2 0.00285 0.00416 0.00335 -0.00274 0.00113 66 8D-2 0.00042 -0.00242 0.00431 0.00238 -0.00173 67 4 Cu 1S 0.00001 0.00001 0.00104 0.00000 0.00006 68 2S -0.00028 0.00443 0.11402 0.00008 0.00116 69 3S -0.00971 0.10560 2.49100 0.00171 0.01351 70 4PX 0.00858 0.01446 -0.01510 -0.00001 0.00020 71 4PY 0.00613 0.00856 0.02725 0.00001 0.00003 72 4PZ 0.01676 -0.01053 -0.00239 0.00005 -0.00022 73 5PX -0.03923 -0.06500 0.10211 -0.00042 -0.00979 74 5PY -0.02772 -0.04091 -0.18677 -0.00046 -0.00527 75 5PZ -0.07633 0.04819 0.01728 -0.00111 0.01033 76 6PX -0.77726 -1.44491 -0.40526 0.10701 1.86656 77 6PY -0.57738 -0.59733 0.89434 0.07309 0.79228 78 6PZ -1.54570 0.96017 -0.12687 0.15870 -1.79118 79 7D 0 -0.00540 0.00330 0.02859 -0.00198 0.01158 80 7D+1 -0.00174 0.00584 -0.00447 0.00152 0.02183 81 7D-1 0.00584 -0.00089 0.00769 -0.00047 0.02497 82 7D+2 -0.00245 -0.00482 0.02826 0.00131 0.00315 83 7D-2 0.00379 0.00557 0.04211 0.00077 -0.01196 84 8D 0 -0.00051 0.00033 0.00536 -0.00009 0.00063 85 8D+1 0.00119 0.00040 -0.00079 0.00002 0.00121 86 8D-1 -0.00146 0.00156 0.00140 0.00004 0.00012 87 8D+2 0.00122 0.00151 0.00518 0.00000 -0.00067 88 8D-2 -0.00012 -0.00074 0.00791 0.00007 0.00022 89 5 Cu 1S 0.00107 -0.00049 0.00235 -0.00009 0.00097 90 2S -0.05800 0.02920 0.02059 -0.00235 0.02024 91 3S -1.76713 0.88416 0.18995 -0.04945 0.36876 92 4PX 0.00255 0.00535 -0.00288 -0.01453 -0.00201 93 4PY -0.00095 0.00396 0.00213 -0.00787 0.00105 94 4PZ -0.01424 0.00568 -0.01407 0.00059 0.00771 95 5PX -0.02344 -0.01323 0.01067 0.10743 0.01619 96 5PY 0.03898 -0.03308 -0.00743 0.05748 0.00108 97 5PZ 0.09959 -0.04405 0.05094 -0.00728 -0.03304 98 6PX -1.42774 -1.69155 -0.75204 -3.05290 -1.77297 99 6PY 0.12470 -1.25863 1.45917 -1.89827 1.71699 100 6PZ -1.29493 0.86898 -0.81067 0.22112 0.88124 101 7D 0 0.03435 -0.01985 -0.00886 -0.00038 -0.01116 102 7D+1 0.01718 0.00715 0.00074 0.00764 0.00040 103 7D-1 -0.00578 0.00991 -0.00458 0.00858 -0.00918 104 7D+2 -0.00364 -0.00753 -0.00166 0.02862 0.01409 105 7D-2 0.00147 0.00685 -0.00372 -0.01992 0.00503 106 8D 0 0.00525 -0.00272 -0.00478 0.00012 -0.00126 107 8D+1 0.00157 -0.00035 -0.00028 0.00014 -0.00134 108 8D-1 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0.32435 1.06041 0.11858 13 7D 0 0.01143 -0.00832 -0.03093 0.00810 -0.04997 14 7D+1 -0.00303 -0.01107 -0.03259 0.03844 0.05511 15 7D-1 0.00649 -0.01245 0.06009 0.01558 0.03006 16 7D+2 -0.00568 0.00004 0.02445 -0.02009 -0.00358 17 7D-2 -0.00267 0.00794 0.02454 0.07650 0.02712 18 8D 0 0.00174 -0.00256 -0.01077 0.00256 -0.01889 19 8D+1 0.00244 -0.00252 -0.00915 0.01226 0.01589 20 8D-1 -0.00129 0.00062 0.01320 0.00576 0.01180 21 8D+2 0.00101 0.00292 0.00743 -0.00413 -0.00966 22 8D-2 -0.00094 -0.00040 0.00830 0.01971 0.00985 23 2 Cu 1S 0.00001 0.00068 -0.00855 -0.00054 -0.00374 24 2S 0.00007 0.01224 -0.03462 -0.00225 0.00302 25 3S 0.00176 0.17157 -0.07493 -0.00375 0.46545 26 4PX 0.02073 0.00381 -0.00910 -0.04270 0.03952 27 4PY 0.01471 -0.01465 -0.02820 -0.03141 -0.05810 28 4PZ 0.03566 0.00375 0.02373 -0.07098 0.00062 29 5PX -0.17795 -0.01673 0.13450 0.47026 -0.71536 30 5PY -0.12616 0.13257 0.32688 0.34478 0.88682 31 5PZ -0.30594 -0.04428 -0.28769 0.77662 0.05540 32 6PX -2.00675 -0.83464 -0.24854 -0.83585 0.33571 33 6PY -1.40747 4.18452 -0.24893 -0.58890 -0.75238 34 6PZ -3.45540 -1.22383 0.37989 -1.38547 0.11063 35 7D 0 0.00744 -0.00683 0.00628 0.01261 0.00960 36 7D+1 -0.01396 -0.00841 0.02986 -0.02836 -0.02400 37 7D-1 0.01465 -0.02411 0.01259 0.03523 0.04490 38 7D+2 -0.01482 -0.01876 -0.00645 -0.03331 0.07110 39 7D-2 0.00078 0.00959 -0.00752 0.00382 -0.01274 40 8D 0 0.00628 0.00169 0.00146 0.00311 0.00028 41 8D+1 -0.00537 -0.00068 0.00711 -0.00370 -0.00879 42 8D-1 0.00324 -0.00455 0.00323 0.00393 0.00986 43 8D+2 -0.00505 -0.00266 -0.00199 -0.00442 0.01784 44 8D-2 -0.00203 0.00643 -0.00174 -0.00041 -0.00477 45 3 Cu 1S -0.00068 0.00041 -0.00601 0.00910 -0.00756 46 2S -0.01516 0.00906 -0.06801 0.10264 -0.10272 47 3S -0.34366 0.20076 -1.22441 1.83994 -2.25696 48 4PX -0.03188 -0.01614 -0.01019 0.00432 0.01230 49 4PY 0.02580 -0.03300 0.00110 -0.00740 -0.02020 50 4PZ 0.00978 -0.00213 -0.02961 0.04533 0.00955 51 5PX 0.26472 0.13472 0.18060 0.01174 -0.22095 52 5PY -0.21311 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4PZ -0.03893 0.02702 0.06035 -0.07497 -0.00155 73 5PX 0.18127 0.27985 0.71203 0.51921 0.09517 74 5PY 0.12737 0.13050 0.32334 0.35405 -0.18279 75 5PZ 0.31081 -0.21556 -0.62345 0.77477 0.02089 76 6PX 2.09443 3.30563 -0.96798 -0.70849 0.18407 77 6PY 1.47389 1.52777 -0.44006 -0.48210 -0.30541 78 6PZ 3.61106 -2.54994 0.84809 -1.05757 0.01320 79 7D 0 0.01894 -0.00566 0.00861 -0.02294 -0.00664 80 7D+1 -0.02085 -0.01676 0.01911 0.02663 0.00048 81 7D-1 0.01628 -0.02761 0.03458 -0.01742 -0.00189 82 7D+2 -0.02066 -0.01352 0.01446 0.02600 -0.00599 83 7D-2 -0.00429 0.01626 -0.01966 0.00409 -0.00923 84 8D 0 0.00133 0.00008 0.00083 -0.00223 0.00059 85 8D+1 -0.00689 -0.00020 0.00181 0.00293 -0.00020 86 8D-1 0.00885 -0.00883 0.00386 -0.00214 0.00011 87 8D+2 -0.00776 -0.00814 0.00187 0.00295 0.00067 88 8D-2 0.00195 0.00693 -0.00225 0.00022 0.00099 89 5 Cu 1S 0.00059 -0.00034 0.00473 -0.00724 -0.00355 90 2S 0.01047 -0.00601 0.01930 -0.02939 0.00671 91 3S 0.14899 -0.08691 0.03416 -0.06044 0.45397 92 4PX 0.02495 0.02997 -0.07025 -0.03538 0.03268 93 4PY -0.00133 0.02450 -0.02161 -0.04252 -0.05773 94 4PZ -0.00462 -0.00174 0.02211 -0.01935 0.01603 95 5PX -0.21331 -0.25810 0.76966 0.38853 -0.52540 96 5PY 0.01328 -0.21180 0.23383 0.47362 0.91347 97 5PZ 0.05742 0.00459 -0.26806 0.25296 -0.35561 98 6PX -3.51034 -2.28770 -1.29955 -0.79670 0.36702 99 6PY 2.31215 -3.63480 -0.57610 -0.61712 -0.67200 100 6PZ 1.19233 -0.25628 0.39397 -0.31689 0.00166 101 7D 0 0.00747 -0.00180 0.02110 -0.02438 0.03500 102 7D+1 -0.01457 -0.00509 -0.01601 -0.01500 0.03508 103 7D-1 0.01758 -0.01970 -0.01070 -0.01437 -0.06080 104 7D+2 -0.01977 -0.01006 -0.03974 -0.01837 0.02448 105 7D-2 -0.00611 0.01626 0.01691 0.02267 0.02500 106 8D 0 0.00310 -0.00020 0.00504 -0.00621 0.01056 107 8D+1 -0.00678 -0.00496 -0.00305 -0.00311 0.00987 108 8D-1 0.00385 -0.00748 -0.00174 -0.00285 -0.01632 109 8D+2 -0.00215 -0.00417 -0.00489 -0.00135 0.00474 110 8D-2 0.00241 0.00117 0.00104 0.00348 0.00351 111 6 Cu 1S -0.00001 0.00002 -0.00003 0.00005 0.00213 112 2S 0.00005 -0.00128 -0.00059 0.00056 0.13828 113 3S -0.00104 0.00134 0.02514 -0.00430 5.10205 114 4PX 0.01251 0.02003 -0.00534 -0.00430 -0.01531 115 4PY 0.00885 0.00915 -0.00255 -0.00294 0.02584 116 4PZ 0.02164 -0.01541 0.00498 -0.00675 -0.00118 117 5PX -0.10311 -0.16329 0.16804 0.12748 0.45771 118 5PY -0.07285 -0.07749 0.06972 0.08896 -0.84995 119 5PZ -0.17758 0.12637 -0.14816 0.19631 0.07792 120 6PX 2.60464 4.13783 0.53354 0.37079 -1.32916 121 6PY 1.83653 1.94301 0.25624 0.24865 2.36225 122 6PZ 4.47443 -3.19304 -0.46324 0.53743 -0.17690 123 7D 0 -0.01115 0.00468 -0.02566 0.05915 -0.04817 124 7D+1 -0.00246 0.01269 -0.05891 -0.02884 0.00754 125 7D-1 0.01141 -0.00215 -0.03401 -0.00886 -0.01605 126 7D+2 -0.00495 -0.01117 0.01376 -0.01688 -0.04877 127 7D-2 0.00849 0.00594 0.00878 -0.03040 -0.06843 128 8D 0 -0.00465 0.00183 -0.00558 0.01239 -0.03313 129 8D+1 -0.00020 0.00502 -0.01249 -0.00414 0.00540 130 8D-1 0.00356 0.00007 -0.00461 -0.00436 -0.01060 131 8D+2 -0.00112 -0.00361 0.00488 -0.00119 -0.03375 132 8D-2 0.00323 0.00164 -0.00018 -0.00722 -0.04757 133 7 Cu 1S -0.00060 -0.00035 0.00375 0.00778 -0.00363 134 2S -0.01040 -0.00603 0.01533 0.03146 0.00582 135 3S -0.14729 -0.08811 0.02575 0.06730 0.44520 136 4PX -0.01771 0.01018 -0.04734 -0.01494 0.02456 137 4PY 0.00638 0.01047 -0.00808 0.01040 -0.06419 138 4PZ 0.01701 -0.03579 0.06552 -0.04881 0.00098 139 5PX 0.16554 -0.07960 0.53454 0.19990 -0.31327 140 5PY -0.04643 -0.08518 0.09829 -0.09587 1.07429 141 5PZ -0.13863 0.31192 -0.71042 0.55449 0.02493 142 6PX 3.58842 0.08982 -0.82773 -0.10499 0.42437 143 6PY -2.26282 -1.96971 -0.26051 0.02208 -0.65273 144 6PZ -1.06511 3.82921 1.31258 -0.89245 0.08227 145 7D 0 0.01311 0.00145 -0.01421 -0.01079 0.00953 146 7D+1 -0.01855 -0.00811 0.01775 0.01696 -0.01826 147 7D-1 0.01522 -0.01770 -0.04058 0.03307 0.03254 148 7D+2 -0.01491 -0.01300 -0.00654 0.01100 -0.04271 149 7D-2 0.00593 0.01529 0.02670 0.00349 0.06469 150 8D 0 0.00166 -0.00466 -0.00377 -0.00253 -0.00046 151 8D+1 -0.00172 -0.00364 0.00222 0.00518 -0.00295 152 8D-1 0.00491 -0.00623 -0.00456 0.00554 0.00950 153 8D+2 -0.00683 -0.00349 -0.00001 0.00190 -0.01223 154 8D-2 -0.00209 0.00365 0.00459 0.00196 0.01629 155 8 Cu 1S 0.00000 -0.00083 0.01090 0.00068 -0.00720 156 2S 0.00002 -0.01806 0.12274 0.00775 -0.10123 157 3S -0.00092 -0.40664 2.19507 0.14006 -2.28857 158 4PX -0.01593 -0.01045 0.04680 -0.00018 0.01621 159 4PY -0.01124 0.04189 0.00543 -0.00203 -0.01821 160 4PZ -0.02750 -0.01109 -0.02886 -0.00739 -0.00223 161 5PX 0.13264 0.08874 -0.43500 0.05566 -0.20864 162 5PY 0.09366 -0.34706 -0.03785 0.05821 0.38821 163 5PZ 0.22917 0.09047 0.25388 0.16165 -0.03456 164 6PX -3.12164 -1.62843 2.13588 0.23872 -0.57354 165 6PY -2.20819 7.40576 0.56970 0.10585 0.31414 166 6PZ -5.37805 -2.09534 -1.49283 0.07944 0.19663 167 7D 0 0.01628 -0.00303 -0.00898 0.03457 -0.02862 168 7D+1 -0.01045 -0.00599 0.05653 0.02389 -0.07060 169 7D-1 0.00345 -0.00777 -0.00576 -0.05365 -0.03226 170 7D+2 -0.00906 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0.00034 0.00197 190 4PY -0.00666 -0.00819 0.00053 0.00040 0.00872 191 4PZ -0.01596 0.01435 -0.00153 0.00011 -0.00570 192 5PX -0.00016 0.00044 0.00128 -0.00003 -0.05519 193 5PY 0.00003 -0.00217 -0.00010 0.00015 0.10888 194 5PZ -0.00041 0.00075 -0.00074 -0.00005 -0.01411 126 127 128 129 130 V V V V V EIGENVALUES -- 0.21406 0.22796 0.22849 0.24393 0.24889 1 1 Cu 1S 0.01943 0.00206 0.00134 0.00007 -0.00421 2 2S 0.10363 0.01283 0.00737 0.00031 -0.00911 3 3S 1.31106 -0.45980 -0.31531 -0.01071 0.81043 4 4PX -0.00582 0.05893 0.00438 -0.03753 0.05044 5 4PY 0.02093 -0.03669 -0.03689 -0.01211 -0.05296 6 4PZ 0.00056 -0.02283 0.06306 0.08300 0.03568 7 5PX 0.17594 -0.85165 -0.07085 0.76260 -1.04417 8 5PY -0.48425 0.60797 0.58050 0.24717 0.92036 9 5PZ 0.01212 0.33369 -0.90011 -1.68499 -0.79151 10 6PX -0.27257 1.19550 0.25451 -1.59406 1.57406 11 6PY 0.24248 -0.69927 -0.66430 -0.51390 -2.08735 12 6PZ -0.04482 -0.28585 1.05793 3.53339 1.17129 13 7D 0 0.01382 -0.02343 -0.05046 0.04476 0.01056 14 7D+1 -0.02448 0.04917 -0.01513 0.02314 0.04010 15 7D-1 -0.00917 -0.01829 0.02769 0.06540 0.00597 16 7D+2 -0.01595 -0.02503 0.01573 -0.00569 0.06567 17 7D-2 -0.01264 -0.02622 -0.02495 -0.03621 -0.00355 18 8D 0 0.00404 -0.00797 -0.01015 0.01820 0.00497 19 8D+1 -0.00953 0.01448 0.00005 0.00960 0.01951 20 8D-1 -0.00074 -0.00741 0.01049 0.02618 0.00402 21 8D+2 -0.00967 -0.00047 0.00683 -0.00246 0.02087 22 8D-2 -0.00118 -0.00488 -0.00816 -0.01461 0.00049 23 2 Cu 1S 0.00574 0.00010 -0.00209 0.00000 -0.00077 24 2S 0.02849 0.00006 -0.00326 0.00008 0.00069 25 3S -2.83428 -0.01524 0.54339 0.00414 0.14884 26 4PX -0.02139 -0.02512 -0.00777 0.01412 -0.00094 27 4PY 0.01794 -0.02045 0.04124 0.01006 0.00225 28 4PZ 0.00442 -0.04322 -0.01616 0.02428 -0.00408 29 5PX 0.60218 0.54053 0.14129 -0.42730 0.07026 30 5PY -0.08001 0.44453 -0.98056 -0.30405 -0.05775 31 5PZ -0.30451 0.92621 0.40207 -0.73448 0.17776 32 6PX 0.73777 -0.47562 -0.23419 0.80337 -0.34944 33 6PY -0.10353 -0.39333 0.84593 0.57040 -0.02721 34 6PZ -0.39309 -0.81405 -0.28524 1.38550 -0.55419 35 7D 0 -0.00897 0.09607 0.04512 -0.02710 -0.00032 36 7D+1 -0.00697 -0.04796 -0.01140 0.05737 -0.02683 37 7D-1 -0.04056 0.00365 -0.04644 -0.06294 0.01901 38 7D+2 -0.03781 -0.03716 -0.01538 0.06142 -0.03161 39 7D-2 0.01658 -0.05242 0.09982 -0.00530 0.01195 40 8D 0 0.00384 0.01921 0.00017 -0.02051 0.00541 41 8D+1 0.00422 -0.01651 -0.01022 0.01959 -0.00536 42 8D-1 0.01081 0.01221 -0.02283 -0.01365 -0.00143 43 8D+2 0.00793 -0.01551 -0.01500 0.01892 -0.00506 44 8D-2 -0.00331 -0.00707 0.01849 0.00582 0.00062 45 3 Cu 1S 0.01932 -0.00240 0.00110 0.00000 0.00451 46 2S 0.10339 -0.01432 0.00598 0.00000 0.00562 47 3S 1.34997 0.48265 -0.25643 0.00269 -1.10371 48 4PX -0.01091 -0.05695 -0.04182 0.08068 -0.02778 49 4PY 0.01810 0.04130 -0.05956 0.04269 0.08395 50 4PZ -0.00686 0.01834 -0.00193 -0.00828 0.02657 51 5PX 0.25290 0.85179 0.58126 -1.63799 0.48022 52 5PY -0.44693 -0.65368 0.88635 -0.86720 -1.61716 53 5PZ 0.12558 -0.22079 0.00926 0.16787 -0.67650 54 6PX -0.20377 -1.02188 -0.60028 3.43592 -1.01930 55 6PY 0.31539 0.88102 -1.06302 1.81963 3.01367 56 6PZ 0.10866 0.46156 -0.12457 -0.35021 0.56136 57 7D 0 -0.03180 0.00141 0.00491 0.01256 -0.03314 58 7D+1 0.00092 -0.01465 -0.02344 -0.06902 0.02455 59 7D-1 -0.01406 -0.01145 -0.00303 -0.04055 -0.07821 60 7D+2 0.00623 0.05577 0.02472 -0.03676 -0.00265 61 7D-2 0.00806 0.03406 -0.05632 0.01614 -0.00748 62 8D 0 -0.00927 -0.00330 0.00210 0.00505 -0.01549 63 8D+1 0.00338 0.00090 -0.00237 -0.02787 0.00499 64 8D-1 -0.00990 -0.00680 0.00446 -0.01634 -0.02813 65 8D+2 0.00279 0.01539 0.00800 -0.01454 0.00078 66 8D-2 0.00245 0.00784 -0.01492 0.00638 -0.00270 67 4 Cu 1S 0.00157 -0.00005 0.00001 0.00000 -0.00029 68 2S 0.00029 -0.00056 0.00075 0.00002 0.00099 69 3S -0.94869 0.00143 0.02046 0.00067 0.09802 70 4PX 0.00724 0.02237 0.04056 -0.00003 0.01320 71 4PY -0.01627 0.01609 0.01975 0.00001 0.01213 72 4PZ 0.00266 0.04368 -0.02784 0.00009 0.03225 73 5PX -0.07585 -0.44411 -0.80994 0.00115 -0.37392 74 5PY 0.20004 -0.32036 -0.39333 0.00017 -0.33284 75 5PZ -0.04262 -0.86801 0.55570 -0.00130 -0.90514 76 6PX 0.01089 0.50088 0.91938 -0.00102 0.59161 77 6PY -0.17933 0.36668 0.42728 -0.00009 0.42946 78 6PZ 0.07490 0.97927 -0.62178 0.00506 1.35545 79 7D 0 0.01052 -0.02812 0.01277 0.00005 0.05418 80 7D+1 -0.00069 -0.04769 0.03392 -0.00002 -0.05601 81 7D-1 0.00596 0.08660 -0.05345 0.00005 0.06016 82 7D+2 0.01170 -0.05344 -0.08574 -0.00006 -0.05708 83 7D-2 0.01361 0.03428 0.06025 -0.00003 -0.01734 84 8D 0 0.00175 0.00495 -0.00032 -0.00001 0.00471 85 8D+1 -0.00004 -0.01578 -0.00349 -0.00001 -0.02109 86 8D-1 0.00171 0.02028 -0.02002 0.00001 0.03004 87 8D+2 0.00234 -0.01661 -0.01910 0.00006 -0.02106 88 8D-2 0.00153 0.00241 0.01605 -0.00004 0.00252 89 5 Cu 1S 0.00440 -0.00182 0.00098 -0.00010 0.00351 90 2S 0.02585 -0.00286 0.00197 -0.00069 0.00034 91 3S -2.83329 0.53555 -0.25974 0.00337 -0.53559 92 4PX -0.01101 -0.03845 -0.03360 -0.02612 0.00957 93 4PY 0.01883 0.02329 -0.03981 -0.01382 -0.02200 94 4PZ -0.01578 0.01539 -0.00201 0.00255 -0.00719 95 5PX 0.14752 0.86014 0.71486 0.79196 -0.31731 96 5PY -0.18455 -0.57755 0.89784 0.42164 0.78320 97 5PZ 0.65481 -0.40272 0.07892 -0.07985 0.25280 98 6PX 0.29308 -0.80462 -0.61165 -1.49208 0.42428 99 6PY -0.36531 0.56844 -0.79425 -0.79047 -1.39835 100 6PZ 0.75558 0.22830 -0.00709 0.14956 -0.33011 101 7D 0 0.00319 0.05299 -0.00455 0.00847 -0.03048 102 7D+1 -0.01905 -0.08787 -0.07739 -0.04422 0.02819 103 7D-1 0.04371 0.05386 -0.09199 -0.03307 -0.08464 104 7D+2 -0.01656 0.01303 -0.02127 -0.07932 0.02125 105 7D-2 -0.01857 0.03887 -0.02493 0.04817 0.04752 106 8D 0 -0.00544 0.01411 -0.00190 0.00469 -0.01314 107 8D+1 0.00488 -0.02180 -0.01590 -0.02578 0.01002 108 8D-1 -0.01205 0.02002 -0.02601 -0.01590 -0.03117 109 8D+2 0.00624 -0.01352 -0.01057 -0.01879 0.00558 110 8D-2 0.00591 -0.00170 0.00933 0.00957 0.00504 111 6 Cu 1S -0.05667 0.00037 -0.00028 0.00000 -0.00037 112 2S -0.36623 0.00187 -0.00051 0.00000 -0.00328 113 3S 5.83828 -0.05527 0.08609 -0.00009 -0.06751 114 4PX 0.02998 0.03304 0.05727 0.00023 -0.04205 115 4PY -0.05044 0.02453 0.02701 0.00007 -0.03195 116 4PZ 0.00434 0.06588 -0.03944 -0.00035 -0.09716 117 5PX 0.54954 -0.55827 -0.93481 -0.00408 0.77333 118 5PY -1.21839 -0.38727 -0.46884 -0.00112 0.56861 119 5PZ 0.17158 -1.09516 0.65410 0.00588 1.76930 120 6PX -1.01316 0.29018 0.39212 0.00414 -1.09382 121 6PY 2.25130 0.18232 0.22314 0.00142 -0.83212 122 6PZ -0.34448 0.56570 -0.28993 -0.00631 -2.52558 123 7D 0 -0.00002 -0.05248 0.01567 0.00012 0.01774 124 7D+1 0.00073 0.00793 0.05369 0.00002 -0.03257 125 7D-1 0.00320 0.01934 0.01618 0.00028 0.04140 126 7D+2 0.00357 0.00458 -0.02587 0.00001 -0.03305 127 7D-2 -0.00227 0.03061 0.00673 -0.00015 -0.00254 128 8D 0 -0.03083 -0.01491 0.00370 -0.00004 0.00409 129 8D+1 0.00544 0.00296 0.01507 0.00004 -0.01174 130 8D-1 -0.00954 0.00476 0.00520 0.00010 0.01569 131 8D+2 -0.03103 0.00248 -0.00684 0.00001 -0.01210 132 8D-2 -0.04444 0.00920 0.00021 0.00001 -0.00013 133 7 Cu 1S 0.00445 0.00173 0.00121 0.00010 -0.00370 134 2S 0.02492 0.00300 0.00259 0.00065 -0.00004 135 3S -2.86084 -0.46547 -0.31539 -0.00641 0.60033 136 4PX 0.00105 0.04038 0.00004 0.01203 -0.01642 137 4PY 0.02659 -0.01969 -0.02162 0.00380 0.01289 138 4PZ 0.00322 -0.01759 0.04660 -0.02673 -0.00745 139 5PX -0.38337 -0.95727 -0.05628 -0.36603 0.54896 140 5PY -0.54240 0.45163 0.48228 -0.11877 -0.47050 141 5PZ -0.22499 0.34158 -1.03409 0.81078 0.28408 142 6PX -0.30092 0.79907 0.00061 0.68956 -0.73088 143 6PY -0.79327 -0.50175 -0.47394 0.22149 0.94556 144 6PZ -0.28053 -0.33612 0.87397 -1.53146 -0.60955 145 7D 0 -0.01335 0.01808 -0.08344 0.01805 -0.03279 146 7D+1 0.02727 0.00279 -0.06800 -0.01320 0.05110 147 7D-1 -0.00987 0.04052 -0.04488 0.09551 0.01481 148 7D+2 0.03264 -0.10591 -0.03756 0.01792 0.06378 149 7D-2 -0.02661 -0.04430 0.02071 -0.04242 -0.03719 150 8D 0 0.00645 0.01386 -0.00891 0.01576 -0.00275 151 8D+1 -0.01100 -0.01377 -0.01681 0.00615 0.01961 152 8D-1 0.00232 0.01667 -0.01926 0.02923 0.00049 153 8D+2 -0.00997 -0.02342 -0.01402 -0.00013 0.02395 154 8D-2 0.00456 -0.00292 0.01454 -0.01530 -0.00567 155 8 Cu 1S 0.01912 0.00005 -0.00244 -0.00007 -0.00079 156 2S 0.10190 0.00068 -0.01595 -0.00039 -0.00343 157 3S 1.25902 -0.02997 0.51119 0.00624 0.05192 158 4PX -0.01211 -0.03353 -0.01789 -0.04335 0.01683 159 4PY 0.01187 -0.02806 0.06970 -0.03071 -0.00075 160 4PZ 0.00165 -0.05806 -0.02299 -0.07479 0.02866 161 5PX 0.25585 0.47393 0.33290 0.88135 -0.34197 162 5PY -0.32550 0.40626 -1.07403 0.62354 -0.01563 163 5PZ -0.00779 0.83094 0.31592 1.51748 -0.63369 164 6PX -0.01895 -0.55296 -0.26349 -1.84627 0.65189 165 6PY 0.05912 -0.47432 1.45403 -1.30877 -0.01063 166 6PZ -0.01732 -0.95121 -0.51287 -3.18629 1.03806 167 7D 0 0.00442 0.03156 0.03899 -0.05739 0.01985 168 7D+1 0.02522 0.01146 0.02293 0.04592 -0.01764 169 7D-1 0.01617 -0.04356 0.02983 -0.02501 0.00185 170 7D+2 -0.00607 0.01943 0.03200 0.04243 -0.01562 171 7D-2 -0.01258 -0.03016 0.02818 0.02024 0.00224 172 8D 0 0.00167 0.00358 0.00853 -0.02328 0.01315 173 8D+1 0.00695 0.00600 0.00782 0.01834 -0.00796 174 8D-1 0.00815 -0.01263 0.01211 -0.00977 -0.00240 175 8D+2 0.00211 0.00759 0.01029 0.01694 -0.00518 176 8D-2 -0.00535 -0.00547 0.00140 0.00832 -0.00321 177 9 C 1S -0.00957 -0.00025 0.00086 -0.00001 0.00015 178 2S 0.04400 -0.00036 0.00188 0.00002 0.00033 179 3S -0.10923 0.01129 -0.03778 0.00019 -0.00964 180 4PX 0.03226 -0.00384 -0.00478 0.00031 -0.07222 181 4PY -0.07222 -0.00203 -0.00342 0.00007 -0.05609 182 4PZ 0.01129 -0.00672 0.00346 -0.00069 -0.16896 183 5PX 0.98340 0.12744 0.25125 0.00063 -0.11487 184 5PY -1.91702 0.11869 0.08954 0.00026 -0.09823 185 5PZ 0.22486 0.26929 -0.16171 -0.00088 -0.27324 186 10 O 1S 0.07478 -0.00053 0.00036 0.00000 -0.00014 187 2S -0.10197 0.00073 -0.00132 -0.00001 0.00043 188 3S -1.25240 0.00891 -0.00099 -0.00002 0.00056 189 4PX 0.06804 -0.00451 -0.00497 -0.00015 0.03414 190 4PY -0.14152 -0.00266 -0.00144 -0.00006 0.02637 191 4PZ 0.01872 -0.00870 0.00319 0.00031 0.07906 192 5PX 0.06029 -0.03037 -0.05740 -0.00018 0.03404 193 5PY -0.13771 -0.02264 -0.02097 -0.00009 0.02879 194 5PZ 0.02003 -0.06075 0.03722 0.00027 0.08135 131 132 133 134 135 V V V V V EIGENVALUES -- 0.24967 0.25848 0.28898 0.28962 0.30379 1 1 Cu 1S -0.00181 -0.00014 0.00967 0.00685 -0.01625 2 2S 0.00643 0.05403 -0.00597 -0.01047 -0.12293 3 3S 0.98919 3.42122 -3.56689 -2.87042 -1.92532 4 4PX 0.05518 0.01530 -0.01034 0.01744 -0.03648 5 4PY -0.03207 -0.02337 -0.01800 -0.00592 -0.00260 6 4PZ -0.00958 0.00562 0.02862 -0.03905 -0.01664 7 5PX -1.17185 -0.47687 0.19482 -0.84487 1.01994 8 5PY 0.54498 0.79915 0.67614 0.19224 -0.18496 9 5PZ 0.20768 -0.14958 -1.18981 1.42269 0.42124 10 6PX 1.74721 -0.02289 0.35788 0.04656 0.71401 11 6PY -1.36721 0.04601 0.33869 0.21729 -0.35835 12 6PZ -0.42500 0.04220 -0.07474 0.43712 0.22895 13 7D 0 -0.00793 0.01685 -0.02523 -0.01061 0.07222 14 7D+1 0.01985 0.00130 0.00623 0.04944 -0.03935 15 7D-1 -0.02665 -0.04475 0.06577 -0.06619 -0.00108 16 7D+2 0.05194 0.05956 0.02662 -0.01804 0.04193 17 7D-2 0.00676 -0.07342 -0.01638 0.03342 0.05718 18 8D 0 -0.00836 0.00940 -0.01307 -0.00273 0.02243 19 8D+1 0.00412 -0.00443 0.00208 0.02562 -0.01992 20 8D-1 -0.00824 -0.01915 0.03216 -0.02989 0.00049 21 8D+2 0.02052 0.01871 0.01391 -0.00963 0.00032 22 8D-2 0.00542 -0.03096 -0.00356 0.01762 0.01548 23 2 Cu 1S 0.00554 0.01434 -0.00018 0.00116 -0.00143 24 2S 0.00047 -0.04680 -0.02058 0.16152 -0.06173 25 3S -0.93263 -3.84891 -0.93735 7.39377 -2.57142 26 4PX 0.00112 -0.04874 -0.02367 0.09282 -0.02907 27 4PY -0.02784 -0.01813 -0.00672 -0.01008 -0.02852 28 4PZ 0.01041 0.03581 -0.01357 -0.05378 0.02836 29 5PX -0.06680 1.03061 0.56898 -2.57912 0.77366 30 5PY 0.94460 0.39860 0.14313 0.13108 0.78780 31 5PZ -0.32993 -0.76183 0.21873 1.52678 -0.76716 32 6PX 0.36059 0.54168 0.18202 -0.73492 0.12028 33 6PY -1.53379 0.01130 0.09031 -0.19189 0.17727 34 6PZ 0.32886 -0.32750 0.08543 0.53643 -0.14081 35 7D 0 0.02041 0.02153 0.05572 -0.01657 -0.03353 36 7D+1 0.03427 0.05756 0.01085 -0.05696 0.03763 37 7D-1 0.08745 0.04201 -0.04221 -0.00683 0.02780 38 7D+2 0.05402 -0.00305 0.00899 0.04153 -0.02922 39 7D-2 -0.03990 -0.01161 -0.03368 -0.02719 -0.08728 40 8D 0 0.00091 -0.00138 0.00446 -0.00719 0.00045 41 8D+1 0.01048 0.01160 0.00143 -0.03276 0.00996 42 8D-1 0.02666 -0.00003 0.00181 -0.00299 0.00139 43 8D+2 0.01472 -0.01197 -0.00561 0.02303 -0.00795 44 8D-2 -0.02279 -0.00549 -0.00096 -0.00172 -0.00296 45 3 Cu 1S -0.00078 -0.00019 -0.01097 0.00419 -0.01619 46 2S 0.00803 0.05330 0.00932 -0.00771 -0.12232 47 3S 0.74889 3.40699 4.17510 -1.83082 -1.90242 48 4PX 0.04347 0.01110 0.01057 0.04576 -0.00627 49 4PY -0.01754 -0.02461 0.02242 0.01723 0.01859 50 4PZ -0.01593 -0.00040 -0.00880 -0.00004 0.03503 51 5PX -0.90804 -0.39469 -0.36940 -1.77506 0.28841 52 5PY 0.29943 0.82817 -0.96963 -0.62178 -0.70602 53 5PZ 0.38281 -0.02905 0.10066 0.12122 -0.82920 54 6PX 1.54626 -0.07470 -0.05344 -0.40375 0.32938 55 6PY -0.67324 0.06128 -0.14971 -0.14026 -0.64761 56 6PZ -0.33964 -0.01299 0.50075 -0.17319 -0.43436 57 7D 0 0.01346 -0.05744 -0.03250 0.01706 0.01031 58 7D+1 -0.03630 -0.04665 -0.00769 -0.01217 -0.01343 59 7D-1 0.02020 0.07396 -0.02034 -0.01159 0.00501 60 7D+2 -0.01469 -0.01048 -0.02066 -0.08844 0.06034 61 7D-2 0.01023 -0.00360 0.04175 0.04690 0.08922 62 8D 0 0.00763 -0.02887 -0.01925 0.00880 -0.00512 63 8D+1 -0.01845 -0.01720 -0.00338 -0.00230 0.00072 64 8D-1 0.00397 0.02528 -0.00778 -0.00467 -0.01006 65 8D+2 -0.00263 -0.00321 -0.01118 -0.04232 0.01913 66 8D-2 0.00094 0.00017 0.01855 0.02364 0.02574 67 4 Cu 1S 0.00063 0.01087 -0.00010 0.00006 0.01054 68 2S -0.00547 -0.08907 -0.00159 0.00200 0.18641 69 3S -0.33094 -5.36295 -0.04918 0.08338 6.53422 70 4PX 0.03054 0.04150 -0.00993 -0.02291 -0.05150 71 4PY 0.00775 -0.07967 -0.00875 -0.00945 0.09672 72 4PZ -0.01580 0.00893 -0.02436 0.01276 -0.00984 73 5PX -0.85320 -1.01577 0.18519 0.44732 1.28021 74 5PY -0.26568 1.97069 0.16928 0.17865 -2.41748 75 5PZ 0.45756 -0.22747 0.45858 -0.24675 0.24820 76 6PX 1.18135 -0.52599 0.05206 0.10171 0.24461 77 6PY 0.61780 0.88919 0.04510 0.04403 -0.42664 78 6PZ -0.71727 -0.04292 0.12944 -0.05782 0.03135 79 7D 0 -0.00680 0.02654 0.06352 -0.01625 -0.06171 80 7D+1 -0.05547 -0.00140 0.00405 -0.06325 0.00913 81 7D-1 -0.07284 0.01139 -0.03457 -0.01239 -0.01754 82 7D+2 -0.04377 0.02579 0.00180 0.03988 -0.06124 83 7D-2 0.04913 0.03456 -0.03646 -0.02174 -0.09049 84 8D 0 0.00128 0.01655 0.00140 -0.00059 -0.01220 85 8D+1 -0.00399 -0.00254 0.00157 -0.00143 0.00180 86 8D-1 -0.02331 0.00597 -0.00297 0.00169 -0.00357 87 8D+2 -0.02617 0.01731 0.00158 0.00350 -0.01234 88 8D-2 0.02243 0.02327 -0.00101 -0.00263 -0.01771 89 5 Cu 1S -0.00077 0.01531 0.00154 -0.00027 -0.00186 90 2S -0.00305 -0.04480 0.15124 -0.06234 -0.05923 91 3S -0.08304 -3.92839 6.83819 -2.89226 -2.33368 92 4PX -0.00761 -0.00356 0.01654 -0.03047 0.00573 93 4PY 0.00933 -0.00515 -0.03380 0.00110 -0.01812 94 4PZ -0.00091 -0.06306 0.09367 -0.03694 -0.04328 95 5PX 0.29511 0.05013 -0.46224 0.67554 -0.16270 96 5PY -0.29118 0.16177 0.78713 -0.05567 0.49580 97 5PZ -0.02176 1.35550 -2.64192 1.06560 1.15526 98 6PX -0.77210 0.19764 -0.02564 0.20851 -0.06834 99 6PY 0.25904 -0.19554 0.03459 0.08732 0.17046 100 6PZ 0.25939 0.56933 -0.87173 0.34098 0.19618 101 7D 0 0.01281 -0.06362 0.05298 -0.01459 -0.07641 102 7D+1 -0.02285 0.00002 0.01011 -0.05707 0.01858 103 7D-1 0.02994 -0.02933 -0.04062 -0.00638 -0.04731 104 7D+2 -0.04730 0.02834 0.00675 0.04689 -0.02696 105 7D-2 0.00596 0.03410 -0.03657 -0.02456 -0.04701 106 8D 0 0.00565 -0.01726 0.03295 -0.01304 -0.01151 107 8D+1 -0.01109 -0.00276 0.01109 -0.00937 -0.00292 108 8D-1 0.00978 0.00032 -0.01300 0.00238 0.00233 109 8D+2 -0.00475 -0.00207 -0.00400 -0.00086 -0.00053 110 8D-2 -0.00108 -0.00263 -0.00675 0.00390 -0.00039 111 6 Cu 1S -0.00057 0.04774 -0.00032 0.00091 0.04738 112 2S 0.00024 0.42948 -0.00278 0.00687 0.36252 113 3S 0.39199 6.74467 -0.04879 0.09711 6.65393 114 4PX -0.08843 0.01975 0.01754 0.04040 0.03909 115 4PY -0.04368 -0.02727 0.01425 0.01812 -0.07392 116 4PZ 0.05266 -0.00176 0.04217 -0.02305 0.00806 117 5PX 1.60756 -0.81474 -0.71484 -1.58158 -1.23797 118 5PY 0.76399 1.35891 -0.55471 -0.72828 2.34341 119 5PZ -0.94610 -0.06210 -1.69278 0.90547 -0.26604 120 6PX -2.29713 -0.21962 -0.45384 -0.99589 -0.25160 121 6PY -1.03331 0.49927 -0.36164 -0.46740 0.35112 122 6PZ 1.33176 -0.09318 -1.08990 0.57543 0.00720 123 7D 0 0.00030 0.00923 -0.06931 0.01356 0.00603 124 7D+1 -0.01749 -0.00020 0.03727 0.07025 -0.00260 125 7D-1 -0.03793 0.00319 -0.02608 0.05874 0.00182 126 7D+2 -0.03230 0.00808 0.03919 0.01485 0.00874 127 7D-2 0.03284 0.01218 0.02993 -0.02368 0.01060 128 8D 0 0.00023 0.01567 -0.02763 0.00555 0.02504 129 8D+1 -0.00401 -0.00215 0.01191 0.02748 -0.00416 130 8D-1 -0.01362 0.00504 -0.00573 0.02055 0.00659 131 8D+2 -0.01388 0.01573 0.01281 0.00274 0.02513 132 8D-2 0.01199 0.02254 0.01278 -0.00660 0.03739 133 7 Cu 1S -0.00183 0.01529 -0.00139 -0.00059 -0.00176 134 2S -0.00441 -0.04424 -0.12954 -0.09904 -0.06056 135 3S 0.04724 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-0.02214 -0.01410 -0.00973 155 8 Cu 1S 0.00634 -0.00069 0.00168 -0.01212 -0.01669 156 2S 0.02014 0.05355 -0.00015 0.00994 -0.12983 157 3S -0.82327 3.58612 -0.57455 4.58242 -2.19663 158 4PX -0.01329 0.01097 0.02659 -0.00993 0.02199 159 4PY 0.09207 -0.03215 0.01587 0.01386 0.02756 160 4PZ -0.02508 0.00715 0.04310 0.00847 -0.02383 161 5PX 0.08011 -0.37742 -1.00033 0.23268 -0.40175 162 5PY -1.80779 0.97373 -0.57859 -0.73046 -0.92686 163 5PZ 0.58534 -0.18692 -1.66348 -0.15602 0.59888 164 6PX -0.79499 0.02176 -0.25707 0.45952 -0.10278 165 6PY 3.26094 -0.14187 -0.13864 -0.05649 -0.69118 166 6PZ -0.70828 0.05264 -0.30750 -0.30985 0.33207 167 7D 0 -0.01327 0.00985 -0.00415 0.01532 0.06048 168 7D+1 0.01962 0.05034 -0.05571 0.02807 0.02982 169 7D-1 0.05453 -0.04051 0.06980 0.03516 0.03487 170 7D+2 0.01911 -0.08101 -0.05986 -0.00736 0.03894 171 7D-2 -0.07223 0.03329 0.02271 -0.00022 0.06465 172 8D 0 -0.00227 0.00403 -0.00501 0.00538 0.01657 173 8D+1 0.01140 0.02421 -0.02563 0.01607 0.01338 174 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8D 0 -0.02219 -0.00983 -0.00225 -0.00575 -0.00784 19 8D+1 -0.02377 0.00846 -0.01020 0.00391 -0.00671 20 8D-1 -0.01245 0.01314 -0.00182 -0.01097 0.00935 21 8D+2 0.00928 0.01171 -0.01593 -0.01247 -0.00110 22 8D-2 -0.00259 0.03586 -0.00437 -0.01107 -0.01383 23 2 Cu 1S 0.01114 0.01218 0.00925 -0.00226 0.02780 24 2S 0.04885 0.05312 -0.07560 -0.00696 0.09172 25 3S -1.01953 -1.12224 -3.97388 0.07288 -0.56086 26 4PX -0.00585 0.00212 -0.03676 -0.00492 0.00455 27 4PY 0.00511 0.01159 -0.03048 -0.00438 0.01486 28 4PZ -0.00982 0.00413 0.03361 -0.00764 -0.00978 29 5PX 0.40115 -0.17527 1.11031 0.19857 -0.10724 30 5PY -0.03258 -0.47572 0.03830 0.11648 0.24937 31 5PZ 0.57768 -0.42962 -0.64847 0.34099 0.00261 32 6PX 0.06568 0.00510 0.66164 -0.29945 -0.64611 33 6PY 0.10813 0.07285 0.06365 -0.30413 0.76313 34 6PZ 0.00776 -0.11170 -0.41694 -0.59275 -0.01928 35 7D 0 0.02241 -0.01103 -0.00451 0.01539 -0.01837 36 7D+1 0.01286 0.05940 -0.01488 -0.02338 -0.02447 37 7D-1 0.00710 -0.03306 -0.00985 0.02752 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-0.01171 58 7D+1 -0.02264 -0.11283 0.04096 0.02719 0.02937 59 7D-1 0.00612 -0.05776 -0.11171 -0.01010 0.01753 60 7D+2 -0.00068 -0.02543 -0.00258 -0.02106 -0.01740 61 7D-2 0.01041 0.00083 -0.02301 -0.00772 0.02780 62 8D 0 0.04051 -0.00269 -0.01100 0.01197 -0.00562 63 8D+1 -0.00005 -0.03158 0.00387 -0.00133 -0.00010 64 8D-1 -0.00419 -0.01320 -0.01475 0.00374 0.00024 65 8D+2 0.00749 0.00388 -0.00132 0.01500 0.00950 66 8D-2 0.00733 -0.00948 -0.00348 0.00912 -0.01539 67 4 Cu 1S -0.00107 -0.00123 0.02837 -0.00037 0.00169 68 2S -0.00615 -0.00696 0.11291 -0.00152 0.00719 69 3S -0.09251 -0.08328 0.41500 -0.01492 0.07404 70 4PX 0.00307 0.01485 -0.00573 -0.00207 -0.00481 71 4PY -0.00166 0.00633 0.01229 -0.00180 -0.00103 72 4PZ -0.01599 0.00234 -0.00183 -0.00452 0.00264 73 5PX -0.16150 -0.80786 0.25524 0.06114 0.14816 74 5PY 0.06643 -0.38084 -0.56756 0.05793 0.01515 75 5PZ 0.88760 -0.12183 0.08927 0.13647 -0.07506 76 6PX -0.02059 -0.08036 0.02676 -0.20848 -0.36409 77 6PY 0.01420 -0.02869 -0.03252 -0.15557 -0.16799 78 6PZ 0.07768 -0.01023 -0.00707 -0.43864 0.23200 79 7D 0 -0.00991 0.00459 0.03331 0.02823 -0.00620 80 7D+1 0.01688 -0.02375 -0.00264 -0.00651 -0.02910 81 7D-1 -0.04959 -0.00504 0.00811 -0.00554 -0.01311 82 7D+2 0.00181 -0.04365 0.02949 -0.00634 0.00974 83 7D-2 0.01282 0.02147 0.04786 -0.01568 0.00197 84 8D 0 0.00211 0.00156 -0.01714 -0.01788 0.00357 85 8D+1 0.01190 -0.00715 0.00160 0.00542 0.01891 86 8D-1 -0.02580 0.00072 -0.00598 0.00168 0.00968 87 8D+2 0.00032 -0.02339 -0.01688 0.00546 -0.00511 88 8D-2 0.00680 0.01588 -0.02356 0.00969 -0.00302 89 5 Cu 1S -0.01709 0.00332 0.01089 0.02463 -0.01217 90 2S -0.06129 0.01705 -0.07116 0.09677 -0.05251 91 3S 2.02680 -0.24869 -3.91783 0.02633 -0.20626 92 4PX 0.00736 0.00900 0.00408 -0.00917 -0.00521 93 4PY -0.00786 0.00823 -0.01573 0.01178 -0.01179 94 4PZ 0.00394 0.00084 -0.05429 0.01913 -0.01111 95 5PX -0.37777 -0.71371 0.15087 0.03544 0.38539 96 5PY 0.29180 -0.46966 -0.19538 0.27002 0.07517 97 5PZ -0.13702 0.04496 1.26231 -0.21690 0.12860 98 6PX 0.00362 -0.09059 0.14654 -0.66571 -0.42847 99 6PY -0.08322 -0.02493 -0.04209 0.52775 -0.66450 100 6PZ -0.20401 0.01537 0.69807 -0.31894 0.25888 101 7D 0 0.05702 -0.01972 0.02071 0.01447 -0.00240 102 7D+1 0.04325 0.02347 0.00828 -0.00110 -0.02201 103 7D-1 -0.04671 0.03088 -0.00143 -0.01124 -0.01199 104 7D+2 0.01725 0.03438 -0.00047 -0.03210 -0.02313 105 7D-2 -0.00078 -0.01889 -0.01111 -0.01809 0.02998 106 8D 0 -0.01016 -0.00194 -0.01296 -0.00076 -0.00004 107 8D+1 0.00514 0.02595 -0.01560 0.00831 -0.00591 108 8D-1 0.00131 0.01319 0.02989 -0.02492 0.01397 109 8D+2 -0.00077 0.00616 -0.00148 0.02746 -0.00689 110 8D-2 -0.00324 -0.00054 0.00313 0.03023 -0.01836 111 6 Cu 1S 0.00090 0.00082 0.00037 -0.00006 0.00069 112 2S 0.00654 0.00569 -0.00894 -0.00099 0.00827 113 3S -0.01125 -0.05320 0.03811 -0.05489 0.20039 114 4PX 0.00968 0.03772 -0.06742 -0.00619 -0.01796 115 4PY -0.00667 0.01367 0.13591 -0.00603 -0.00182 116 4PZ -0.03829 0.00516 -0.01701 -0.01391 0.00908 117 5PX 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0.02036 0.01281 137 4PY 0.00394 -0.00999 0.01615 -0.00172 -0.00186 138 4PZ -0.01161 -0.00349 0.02330 0.00256 0.01463 139 5PX -0.25820 -0.23001 -0.83189 -0.08696 0.08513 140 5PY -0.19501 0.39585 -0.89576 -0.27296 -0.17944 141 5PZ 0.77390 0.24221 -0.41662 0.18081 -0.35073 142 6PX -0.07044 0.17853 -0.44750 0.33777 -0.16030 143 6PY -0.00233 0.04122 -0.46603 -0.69775 -0.65886 144 6PZ 0.07577 0.11508 -0.32838 -0.41168 0.54382 145 7D 0 0.02294 -0.00865 -0.01120 0.02924 0.00777 146 7D+1 -0.00321 0.00768 0.01237 -0.01874 -0.00704 147 7D-1 0.03372 0.05346 0.01552 0.01680 -0.03889 148 7D+2 0.01522 -0.03493 -0.00062 0.01632 0.00153 149 7D-2 -0.04174 0.05631 0.00857 -0.00713 0.01752 150 8D 0 0.01685 0.00510 0.00841 -0.02261 -0.01731 151 8D+1 0.01305 0.00021 0.00477 0.02598 0.01442 152 8D-1 0.01774 0.00196 -0.01326 -0.00830 -0.00047 153 8D+2 -0.00472 -0.00568 0.02577 0.00777 0.01061 154 8D-2 -0.00722 -0.01088 -0.02018 -0.02385 -0.01993 155 8 Cu 1S -0.01207 -0.01292 0.00996 -0.00074 0.00743 156 2S 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EIGENVALUES -- 0.53552 0.64085 0.65956 0.65983 0.67474 1 1 Cu 1S 0.01974 -0.03554 0.00406 -0.02845 0.05991 2 2S 0.01555 -0.05064 -0.01119 0.01072 0.10146 3 3S -0.65977 2.09150 -0.58771 2.28486 -1.53978 4 4PX -0.00422 -0.00400 -0.00546 -0.00014 0.00577 5 4PY -0.00366 -0.00137 -0.00902 0.02290 -0.00518 6 4PZ -0.00272 -0.00134 0.01079 0.00779 -0.00502 7 5PX -0.03623 0.01781 0.32864 -0.29844 -0.05009 8 5PY 0.22896 -0.05679 0.28586 -0.61945 0.20798 9 5PZ 0.01877 -0.03422 -0.44221 -0.41564 0.22823 10 6PX 0.04707 0.24332 0.50140 -0.59787 -0.17606 11 6PY -0.16978 0.01758 0.08255 0.12165 0.15846 12 6PZ -0.03251 0.08671 -0.59121 -0.46734 0.34139 13 7D 0 0.01563 -0.09305 0.07448 -0.08677 0.07541 14 7D+1 -0.00350 0.14312 0.06243 0.04561 -0.01588 15 7D-1 -0.02292 0.09024 -0.13196 0.00994 0.12487 16 7D+2 0.03418 0.01616 -0.02679 -0.15356 0.03765 17 7D-2 -0.02781 0.13642 0.04227 -0.00013 0.01341 18 8D 0 -0.01638 0.14209 -0.08624 0.12113 -0.08731 19 8D+1 0.01381 -0.19991 -0.08063 -0.05187 0.05375 20 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40 8D 0 0.00521 -0.01308 0.07991 -0.03667 0.04754 41 8D+1 -0.00983 0.04031 -0.12457 -0.02375 0.12286 42 8D-1 0.03998 0.02433 0.05515 0.07614 0.13710 43 8D+2 0.05042 -0.02502 0.17785 -0.10559 0.05426 44 8D-2 -0.01934 -0.04793 0.14669 0.00353 -0.00855 45 3 Cu 1S 0.01977 -0.03514 0.01562 0.02455 0.07746 46 2S 0.01531 -0.05144 -0.01468 -0.00394 0.13241 47 3S -0.66114 2.04271 -1.48731 -1.83478 -1.93600 48 4PX 0.00095 -0.00041 -0.00198 0.01574 0.00884 49 4PY -0.00012 0.00066 -0.01591 -0.00773 -0.00492 50 4PZ 0.00619 0.00466 0.01124 0.01096 0.00011 51 5PX -0.10755 0.04398 0.24067 -0.50928 -0.27640 52 5PY 0.17929 -0.02843 0.39476 -0.00077 0.10156 53 5PZ -0.10440 0.01304 -0.53292 -0.52367 -0.19389 54 6PX 0.10813 0.05944 0.64177 -0.30399 -0.40592 55 6PY -0.14440 -0.11498 -0.02325 -0.57472 0.05640 56 6PZ 0.06562 -0.23497 -0.44170 -0.39088 -0.08924 57 7D 0 -0.02526 0.22571 -0.01945 -0.00859 0.04196 58 7D+1 -0.02554 0.04643 -0.02980 -0.07051 0.06698 59 7D-1 0.03724 0.00324 0.05690 0.08527 0.03157 60 7D+2 0.00112 -0.03172 -0.05963 0.13814 0.12930 61 7D-2 0.00919 -0.03933 0.15038 0.01996 0.03233 62 8D 0 0.04347 -0.32099 0.00831 0.00001 -0.06208 63 8D+1 0.02387 -0.07465 0.05355 0.07592 -0.06737 64 8D-1 -0.02867 0.01396 -0.06438 -0.12382 -0.03209 65 8D+2 0.00117 0.04905 0.08960 -0.19913 -0.20598 66 8D-2 -0.00521 0.06520 -0.21256 -0.02613 -0.03895 67 4 Cu 1S -0.03232 0.13031 0.00918 -0.00186 -0.00891 68 2S -0.06650 0.27875 0.01246 -0.00320 -0.01766 69 3S 0.43594 -1.53298 -0.19617 0.03339 0.10983 70 4PX 0.00230 0.00105 0.00051 -0.00049 0.00374 71 4PY -0.00429 -0.00179 -0.00055 -0.00023 0.00206 72 4PZ 0.00040 0.00012 -0.00033 -0.00067 -0.00348 73 5PX -0.00526 -0.12994 -0.01674 -0.00549 -0.03260 74 5PY 0.00829 0.23990 0.05846 -0.01360 -0.04022 75 5PZ -0.00023 -0.02269 -0.01656 -0.00703 0.04031 76 6PX 0.03869 -0.25367 -0.01455 -0.00763 0.20682 77 6PY -0.03797 0.46143 0.00795 -0.01384 0.04766 78 6PZ -0.01151 -0.04153 -0.00452 -0.02377 -0.16501 79 7D 0 -0.00700 -0.06177 -0.04253 -0.08064 -0.00779 80 7D+1 0.00102 0.00330 -0.08477 0.04729 -0.02035 81 7D-1 -0.00178 -0.01884 -0.02290 0.02902 -0.14584 82 7D+2 -0.00667 -0.05619 0.05050 0.00575 -0.09743 83 7D-2 -0.01027 -0.08544 0.01847 0.04896 0.10075 84 8D 0 0.00335 0.09306 0.06678 0.12002 0.00658 85 8D+1 -0.00053 -0.00534 0.12663 -0.07112 0.02209 86 8D-1 0.00084 0.02773 0.03789 -0.04361 0.18473 87 8D+2 0.00308 0.08474 -0.07013 -0.01004 0.12509 88 8D-2 0.00490 0.12944 -0.02497 -0.07301 -0.13049 89 5 Cu 1S -0.02400 0.17997 -0.04287 -0.03860 0.06366 90 2S -0.02921 0.35895 -0.06624 -0.05769 0.10127 91 3S -0.22518 -2.77012 0.66687 0.49509 -1.70300 92 4PX -0.00293 -0.00110 -0.00026 0.00599 0.00225 93 4PY 0.00590 0.00099 -0.00698 -0.00470 -0.00012 94 4PZ 0.00219 -0.00408 0.00185 0.00118 -0.00257 95 5PX -0.05257 0.11119 0.15919 -0.29030 0.17997 96 5PY 0.09769 -0.07089 0.21478 -0.01089 0.06130 97 5PZ -0.02252 0.54603 -0.25368 -0.18711 0.39613 98 6PX -0.19550 0.09599 -0.18292 -0.05308 0.38371 99 6PY 0.40233 -0.08110 0.19680 0.24507 0.10403 100 6PZ 0.07431 0.61382 0.09909 0.12167 0.14664 101 7D 0 0.00089 0.03663 0.11933 0.11560 -0.09065 102 7D+1 -0.01937 -0.01279 0.00212 0.04725 0.15389 103 7D-1 0.03886 0.03254 -0.05796 -0.01267 0.03752 104 7D+2 -0.01285 0.00678 -0.01936 0.11264 -0.01620 105 7D-2 -0.01306 0.02708 0.09618 0.03021 0.09370 106 8D 0 0.01267 -0.07897 -0.15442 -0.15826 0.10513 107 8D+1 0.03057 -0.00178 -0.02242 -0.03872 -0.23925 108 8D-1 -0.05758 -0.02116 0.06071 0.02832 -0.06110 109 8D+2 0.01957 -0.01322 0.00321 -0.14627 0.03453 110 8D-2 0.01943 -0.03626 -0.13270 -0.06014 -0.14061 111 6 Cu 1S -0.06483 0.01160 0.00095 -0.00068 0.00047 112 2S -0.21012 0.01168 0.00948 -0.00215 -0.00172 113 3S 2.91775 3.49152 -0.18924 0.02250 0.00916 114 4PX 0.02329 0.00627 -0.00183 0.00155 0.01831 115 4PY -0.04442 -0.01176 -0.00218 0.00112 0.00905 116 4PZ 0.00481 0.00118 0.00245 0.00117 -0.01659 117 5PX -0.01862 -0.00048 0.24512 -0.26768 -0.38080 118 5PY 0.01607 0.04164 0.20331 -0.18260 -0.20486 119 5PZ 0.00687 -0.02212 -0.33652 -0.27775 0.35334 120 6PX 0.11847 -0.11740 -0.38065 0.41693 -0.59734 121 6PY -0.38648 0.23847 -0.28145 0.29319 -0.16224 122 6PZ 0.11149 -0.02707 0.52315 0.45653 0.47353 123 7D 0 0.09168 -0.01622 -0.04513 -0.04466 -0.09493 124 7D+1 -0.01282 -0.00709 -0.07265 -0.07374 -0.22856 125 7D-1 0.02738 0.00559 0.14511 0.13198 -0.10416 126 7D+2 0.08970 -0.00216 0.11199 -0.14097 0.08063 127 7D-2 0.13291 -0.02453 -0.10940 0.09709 0.02463 128 8D 0 -0.14198 0.03802 0.06952 0.06923 0.15418 129 8D+1 0.02061 0.00846 0.10941 0.10745 0.37293 130 8D-1 -0.04276 -0.00368 -0.21351 -0.19649 0.16441 131 8D+2 -0.13985 0.01792 -0.16556 0.20787 -0.13608 132 8D-2 -0.20587 0.05622 0.16312 -0.14607 -0.03731 133 7 Cu 1S -0.02395 0.18036 -0.02299 0.05146 0.04666 134 2S -0.02959 0.35924 -0.03644 0.07689 0.07404 135 3S -0.22171 -2.77773 0.40390 -0.69840 -1.27782 136 4PX -0.00505 0.00214 -0.00109 -0.00384 0.00275 137 4PY 0.00429 0.00355 -0.00314 0.00828 0.00048 138 4PZ -0.00164 0.00168 0.00410 0.00069 -0.00132 139 5PX -0.04269 -0.33831 0.20195 -0.07992 -0.15318 140 5PY 0.10462 -0.39044 0.15267 -0.26992 -0.15546 141 5PZ -0.00567 -0.23182 -0.26306 -0.19412 -0.27170 142 6PX -0.28741 -0.39387 -0.13039 0.29354 0.10127 143 6PY 0.32728 -0.42777 0.08236 -0.19353 -0.07283 144 6PZ -0.09353 -0.23045 0.05617 0.11998 -0.41563 145 7D 0 -0.00926 0.01285 -0.00580 -0.03012 0.17430 146 7D+1 0.02061 0.02311 0.02914 -0.00770 0.07378 147 7D-1 -0.01134 -0.00309 -0.06848 -0.10200 0.01093 148 7D+2 0.03195 0.04223 -0.02397 -0.03048 -0.08818 149 7D-2 -0.02267 0.02611 0.09867 -0.16900 -0.04195 150 8D 0 0.01008 -0.00952 -0.01523 0.04886 -0.25669 151 8D+1 -0.02416 -0.03825 -0.04521 -0.00161 -0.13222 152 8D-1 0.02230 -0.01720 0.06123 0.12514 -0.01957 153 8D+2 -0.04464 -0.03979 0.02955 0.04994 0.13065 154 8D-2 0.04361 -0.06517 -0.11644 0.23999 0.04845 155 8 Cu 1S 0.02010 -0.03768 -0.02133 0.00508 -0.13265 156 2S 0.01643 -0.04853 0.02588 -0.00551 -0.23369 157 3S -0.68300 2.32117 2.20954 -0.51675 2.97594 158 4PX 0.00495 0.00098 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178 2S -0.18540 0.31425 -0.05050 0.00572 0.00020 179 3S -2.13935 -0.62376 0.05400 -0.00079 -0.00324 180 4PX -0.46494 -0.20791 0.01817 -0.00883 -0.00499 181 4PY 0.94360 0.43192 -0.01585 -0.00579 0.01319 182 4PZ -0.11737 -0.05840 -0.00737 -0.00917 -0.00366 183 5PX 0.23562 0.13085 -0.19895 0.16838 0.10206 184 5PY -0.45545 -0.32575 0.00683 0.09478 -0.00460 185 5PZ 0.04920 0.06309 0.18103 0.17522 -0.06416 186 10 O 1S -0.09064 -0.00704 -0.00207 0.00046 0.00019 187 2S 0.25219 0.05269 -0.00256 -0.00001 0.00509 188 3S 0.84322 0.06287 0.03433 -0.00723 -0.01961 189 4PX -0.02518 -0.23741 -0.27234 0.30292 -0.02499 190 4PY 0.06878 0.42105 -0.18014 0.20327 0.03571 191 4PZ -0.01319 -0.02981 0.36462 0.33069 0.00029 192 5PX -0.65106 0.17920 0.41403 -0.45838 0.01303 193 5PY 1.29109 -0.26916 0.27348 -0.31196 -0.05157 194 5PZ -0.15388 -0.00161 -0.55353 -0.50124 0.01484 146 147 148 149 150 V V V V V EIGENVALUES -- 0.67492 0.67928 0.69818 0.70934 0.70994 1 1 Cu 1S -0.12322 0.01843 0.01508 0.18665 0.11994 2 2S -0.21718 0.00880 0.06594 0.22688 0.14466 3 3S 2.80034 -1.83308 0.78666 -7.27766 -4.72719 4 4PX -0.00454 -0.00217 -0.00808 -0.01687 -0.01729 5 4PY 0.01079 0.00100 0.01907 -0.02128 -0.01609 6 4PZ -0.00470 0.00201 -0.00060 -0.01880 0.00165 7 5PX -0.10367 0.19819 0.42034 1.18706 0.65051 8 5PY -0.45885 -0.16562 -0.77087 1.15294 0.72338 9 5PZ 0.01530 -0.00412 0.07411 0.55732 0.61879 10 6PX -0.01828 0.09259 0.43123 0.71610 0.46042 11 6PY -0.43580 -0.05367 -0.75887 0.91146 0.61640 12 6PZ 0.15354 -0.03748 0.06521 0.46984 0.28141 13 7D 0 -0.05433 0.01144 -0.09580 -0.12187 0.15758 14 7D+1 0.00685 0.00992 0.13830 -0.08757 0.16302 15 7D-1 0.00921 -0.09988 -0.00396 -0.02744 0.02409 16 7D+2 -0.02439 0.06219 0.08660 0.06563 -0.07579 17 7D-2 -0.18459 -0.13611 -0.05623 0.00544 -0.06529 18 8D 0 0.09961 -0.02370 0.14584 0.19685 -0.26952 19 8D+1 -0.00428 -0.01247 -0.21593 0.13323 -0.28414 20 8D-1 -0.01626 0.15848 0.01167 0.02615 -0.04650 21 8D+2 0.02924 -0.10289 -0.14844 -0.13313 0.11422 22 8D-2 0.26861 0.21673 0.09275 -0.05515 0.07612 23 2 Cu 1S 0.00745 -0.08328 0.00996 -0.06240 0.03073 24 2S 0.01124 -0.17132 -0.03065 -0.13186 0.06463 25 3S -0.22120 0.71090 -1.08250 2.17316 -1.09537 26 4PX -0.00154 0.00155 -0.00654 0.00022 0.00046 27 4PY -0.00120 -0.00445 -0.00274 0.00124 -0.00024 28 4PZ -0.00206 0.00100 0.00498 0.00001 0.00115 29 5PX -0.03277 -0.17101 0.41008 -0.30032 0.35475 30 5PY -0.04211 0.05738 -0.13490 0.29095 -0.00636 31 5PZ -0.16082 0.07672 -0.18906 0.26338 0.21277 32 6PX -0.19118 -0.09126 -0.15062 -0.66966 0.30243 33 6PY -0.15453 -0.19344 0.50868 0.01596 -0.02636 34 6PZ -0.37762 0.14901 -0.11967 0.34860 -0.22826 35 7D 0 0.18711 0.02024 0.06621 0.04217 -0.09393 36 7D+1 -0.04131 0.04473 0.06650 0.21511 -0.01484 37 7D-1 -0.04855 -0.01345 -0.02625 0.03282 -0.09729 38 7D+2 -0.02415 -0.03933 -0.05185 -0.02788 0.10747 39 7D-2 -0.10394 0.04309 0.10960 0.02453 -0.00011 40 8D 0 -0.28353 -0.03249 -0.10247 -0.06446 0.15891 41 8D+1 0.06054 -0.08276 -0.08972 -0.35010 0.02110 42 8D-1 0.08325 0.01153 0.01401 -0.02988 0.14510 43 8D+2 0.02855 0.06583 0.04282 0.06704 -0.18834 44 8D-2 0.15919 -0.05738 -0.15244 -0.05854 0.00569 45 3 Cu 1S 0.11406 0.01390 0.01985 0.01513 -0.22093 46 2S 0.20042 -0.00055 0.07260 0.01931 -0.26668 47 3S -2.64330 -1.77374 0.62206 -0.55391 8.66459 48 4PX 0.00098 -0.00292 -0.00995 0.01175 -0.00629 49 4PY -0.01187 0.00092 0.01742 0.00602 0.00599 50 4PZ 0.00073 0.00083 -0.00335 0.00109 -0.03785 51 5PX -0.03034 0.15985 0.40962 0.19697 0.32831 52 5PY 0.31324 -0.20753 -0.76892 0.10543 -0.20210 53 5PZ -0.30016 -0.06671 0.03477 -0.14820 2.04689 54 6PX 0.05135 0.08860 0.42481 -0.02637 0.30884 55 6PY 0.41381 -0.06834 -0.76610 -0.01312 -0.30473 56 6PZ -0.18807 -0.03481 0.02911 -0.08725 1.43488 57 7D 0 0.10379 -0.11980 0.07415 0.04178 0.01330 58 7D+1 -0.02277 -0.07215 -0.03368 -0.24594 -0.00393 59 7D-1 -0.04979 0.11022 0.12600 -0.11427 -0.02989 60 7D+2 0.01277 -0.05669 -0.08317 0.07306 0.02084 61 7D-2 0.13863 -0.02369 -0.09775 -0.08337 0.01732 62 8D 0 -0.14288 0.19097 -0.11342 -0.07314 0.03678 63 8D+1 0.01550 0.11638 0.06112 0.41069 0.00950 64 8D-1 0.06427 -0.17718 -0.20913 0.18953 0.05593 65 8D+2 -0.01372 0.08496 0.12826 -0.12860 -0.01667 66 8D-2 -0.21851 0.03332 0.14884 0.14158 -0.00065 67 4 Cu 1S -0.00387 -0.16981 -0.12122 -0.00514 0.00062 68 2S -0.00672 -0.29128 -0.16154 -0.00766 0.00111 69 3S 0.05853 2.83853 3.02356 0.11404 -0.02092 70 4PX -0.00295 -0.00515 -0.00463 -0.00061 -0.00007 71 4PY -0.00175 0.00929 0.00879 0.00017 -0.00012 72 4PZ -0.00414 -0.00070 -0.00093 -0.00002 -0.00047 73 5PX 0.03617 0.36601 0.43548 0.48583 0.04551 74 5PY 0.00545 -0.68739 -0.82916 0.21544 0.08122 75 5PZ 0.04247 0.06384 0.08019 -0.07515 0.52965 76 6PX -0.13927 0.23027 0.00803 0.01470 -0.00825 77 6PY -0.10931 -0.49848 0.00805 -0.00776 0.00069 78 6PZ -0.21078 0.08203 -0.01109 -0.00698 -0.00154 79 7D 0 -0.03397 -0.04037 -0.11084 -0.00889 -0.09269 80 7D+1 0.10772 -0.00737 0.01251 0.07461 -0.06316 81 7D-1 -0.11593 -0.00040 -0.03575 0.01517 0.09518 82 7D+2 0.12379 -0.02556 -0.10695 -0.10852 0.00486 83 7D-2 -0.02954 -0.06175 -0.15872 0.07651 0.03507 84 8D 0 0.03654 0.03229 0.13541 0.01072 0.14220 85 8D+1 -0.13604 0.01530 -0.01466 -0.10732 0.11768 86 8D-1 0.15088 -0.00417 0.04472 -0.01301 -0.18501 87 8D+2 -0.15863 0.01036 0.12932 0.20094 0.00259 88 8D-2 0.04104 0.04872 0.19364 -0.14234 -0.05095 89 5 Cu 1S 0.10784 -0.10288 0.01206 0.00393 -0.06811 90 2S 0.17307 -0.19962 -0.02847 0.00663 -0.14291 91 3S -2.73568 1.22591 -1.19659 -0.19988 2.48280 92 4PX -0.00116 0.00196 -0.00035 0.00109 -0.00042 93 4PY -0.00205 -0.00438 -0.00123 0.00025 0.00132 94 4PZ -0.00384 0.00006 -0.00878 -0.00055 0.00131 95 5PX 0.01046 -0.08251 0.15519 0.34926 -0.18991 96 5PY -0.09101 0.13201 -0.20447 0.16096 0.33232 97 5PZ 0.67042 -0.29152 0.41315 0.00307 -0.36030 98 6PX -0.14258 0.02151 -0.24168 -0.03986 -0.18919 99 6PY -0.22141 -0.13924 0.51239 -0.03281 0.19388 100 6PZ 0.31923 -0.23056 0.09957 0.05878 -0.80644 101 7D 0 -0.08524 0.00671 -0.02933 -0.00591 -0.19956 102 7D+1 -0.10600 -0.03899 -0.06535 0.09325 -0.05512 103 7D-1 -0.09960 0.03980 0.09939 0.06113 0.02529 104 7D+2 0.07007 0.01181 0.04325 0.09291 0.06913 105 7D-2 0.02564 0.04056 0.09037 -0.05550 0.09658 106 8D 0 0.07729 0.01980 0.02942 0.01070 0.32132 107 8D+1 0.15118 0.06106 0.07799 -0.16070 0.10644 108 8D-1 0.14839 -0.06097 -0.11454 -0.10048 -0.07740 109 8D+2 -0.10626 -0.02319 -0.07637 -0.15133 -0.10331 110 8D-2 -0.02684 -0.06354 -0.14620 0.08868 -0.15008 111 6 Cu 1S 0.00032 0.00950 -0.02849 -0.00239 0.00140 112 2S -0.00077 -0.02704 -0.02836 -0.00369 0.00180 113 3S -0.01878 -0.16640 -1.67706 0.08701 -0.08400 114 4PX -0.01398 -0.01443 -0.01965 -0.01188 -0.00151 115 4PY -0.00851 0.02717 0.03846 -0.00555 -0.00145 116 4PZ -0.01975 -0.00190 -0.00431 0.00177 -0.01300 117 5PX 0.30723 0.41101 0.28613 0.48277 0.05302 118 5PY 0.17901 -0.72323 -0.57115 0.24004 0.07090 119 5PZ 0.42914 0.03757 0.05741 -0.07705 0.53375 120 6PX 0.36758 -0.54302 0.50844 0.38300 0.05404 121 6PY 0.28375 1.12713 -1.10908 0.21897 0.05407 122 6PZ 0.53952 -0.17700 0.16019 -0.05831 0.44472 123 7D 0 -0.21605 0.10904 -0.00225 -0.00410 -0.00127 124 7D+1 0.09792 -0.01210 -0.00695 0.01487 0.05278 125 7D-1 0.05113 0.04214 -0.00321 0.02734 -0.09670 126 7D+2 0.04893 0.10594 0.00135 0.09231 0.02334 127 7D-2 0.12182 0.13694 0.00127 -0.05664 0.00719 128 8D 0 0.35248 -0.17705 0.01482 0.00240 -0.03554 129 8D+1 -0.15560 0.01772 0.00956 0.01240 -0.09905 130 8D-1 -0.08906 -0.06647 0.00746 -0.02863 0.17015 131 8D+2 -0.07440 -0.16892 0.00796 -0.16924 -0.02941 132 8D-2 -0.20079 -0.22322 0.01435 0.10661 0.00645 133 7 Cu 1S -0.12249 -0.09709 0.01124 0.05582 0.03600 134 2S -0.19876 -0.19139 -0.03013 0.11589 0.07632 135 3S 3.03999 1.07922 -1.15099 -2.09371 -1.31051 136 4PX -0.00323 0.00271 0.00685 0.00191 0.00033 137 4PY -0.00122 -0.00401 0.00409 -0.00036 -0.00042 138 4PZ -0.00305 0.00105 0.00385 0.00020 0.00117 139 5PX 0.52184 0.11130 -0.16499 0.03223 -0.15103 140 5PY 0.48387 0.26263 -0.42458 -0.40530 -0.32069 141 5PZ 0.22907 0.07303 -0.14697 -0.27956 0.23912 142 6PX 0.26048 0.22543 -0.36200 -0.39942 -0.22769 143 6PY 0.31333 -0.00129 0.43107 -0.54427 -0.34353 144 6PZ -0.05527 0.14485 -0.11793 -0.22638 -0.20331 145 7D 0 -0.01280 0.02654 0.09043 -0.08368 -0.11825 146 7D+1 0.16705 -0.01234 -0.02008 0.12477 0.07267 147 7D-1 0.04815 -0.03161 -0.05000 0.14751 -0.05800 148 7D+2 0.01386 0.05822 0.12000 -0.01482 -0.02527 149 7D-2 0.00072 0.00862 -0.01281 0.04183 0.10340 150 8D 0 -0.00382 -0.05153 -0.13984 0.12866 0.19436 151 8D+1 -0.21982 0.03398 0.04087 -0.18914 -0.10338 152 8D-1 -0.04532 0.05354 0.05843 -0.24982 0.09205 153 8D+2 -0.01126 -0.08431 -0.15412 0.05255 0.05670 154 8D-2 0.03239 0.00571 -0.01081 -0.08085 -0.17923 155 8 Cu 1S 0.01061 0.02944 0.01328 -0.19868 0.10005 156 2S 0.01821 0.03257 0.06084 -0.24075 0.12130 157 3S -0.27697 -1.96840 0.73745 7.75877 -3.91244 158 4PX -0.00366 -0.00125 -0.01120 -0.02691 0.02024 159 4PY -0.00384 0.00197 0.01814 0.00029 0.00487 160 4PZ -0.00691 0.00034 -0.00108 0.02273 0.00017 161 5PX 0.09331 0.05743 0.39808 1.61677 -0.68402 162 5PY 0.09931 -0.23126 -0.79147 0.23829 -0.04072 163 5PZ 0.22555 0.04607 0.08935 -0.90601 0.67412 164 6PX 0.18836 0.01797 0.37719 1.15639 -0.58420 165 6PY 0.16988 -0.10072 -0.74065 0.01039 -0.01207 166 6PZ 0.37052 0.01272 0.08189 -0.68095 0.33321 167 7D 0 0.04909 -0.01469 -0.06622 0.11509 0.21177 168 7D+1 -0.08090 0.07751 -0.08500 -0.02795 -0.05373 169 7D-1 0.08620 -0.05613 -0.14231 -0.02129 -0.08270 170 7D+2 -0.07861 -0.12534 -0.09067 0.00808 -0.03442 171 7D-2 0.01334 0.00038 0.02788 -0.06357 -0.12257 172 8D 0 -0.03746 0.01681 0.09923 -0.17660 -0.36219 173 8D+1 0.11227 -0.13027 0.12782 0.01542 0.10154 174 8D-1 -0.14329 0.08890 0.22770 0.03317 0.14478 175 8D+2 0.11572 0.20304 0.14887 0.01853 0.03685 176 8D-2 -0.04153 -0.00713 -0.05424 0.14388 0.18752 177 9 C 1S 0.00153 0.06349 -0.00993 0.00050 0.00013 178 2S -0.00082 0.01152 -0.31760 0.00577 -0.00907 179 3S 0.00215 0.08945 0.06619 -0.00488 0.00538 180 4PX -0.00422 -0.03554 0.18338 0.07547 0.00555 181 4PY -0.00076 0.07313 -0.36825 0.02707 0.01459 182 4PZ -0.00654 -0.00881 0.04409 -0.01056 0.07884 183 5PX -0.04895 0.24153 -0.25342 -0.25187 -0.02359 184 5PY -0.05115 -0.51571 0.51576 -0.12848 -0.03792 185 5PZ -0.07404 0.07828 -0.05620 0.04343 -0.27537 186 10 O 1S 0.00030 0.01109 -0.00570 0.00035 -0.00030 187 2S 0.00101 0.05151 -0.00612 0.00113 -0.00004 188 3S -0.00922 -0.36462 0.11323 -0.00960 0.00486 189 4PX -0.01192 -0.31398 0.19837 -0.01607 0.00417 190 4PY 0.00990 0.55688 -0.39062 -0.00371 -0.00108 191 4PZ -0.00721 -0.04469 0.04951 0.00633 -0.00732 192 5PX 0.03112 0.47604 -0.21012 0.06322 -0.00597 193 5PY -0.00576 -0.84432 0.40826 0.01376 0.01191 194 5PZ 0.02950 0.06630 -0.05358 -0.01456 0.04724 151 152 153 154 155 V V V V V EIGENVALUES -- 0.74882 0.75149 0.79121 0.79637 0.79680 1 1 Cu 1S -0.01292 -0.01922 -0.00047 0.00274 -0.00634 2 2S -0.02483 -0.03684 -0.00188 -0.00298 0.01297 3 3S 0.24373 0.40273 -0.02258 -0.30360 0.87734 4 4PX 0.01139 0.00023 -0.00445 0.00093 0.00674 5 4PY -0.00075 -0.00676 -0.00161 0.00038 0.00363 6 4PZ -0.01491 0.01338 0.00943 -0.00793 0.00099 7 5PX -0.08072 -0.07505 -0.06061 -0.00412 -0.01658 8 5PY -0.01100 0.03424 -0.00638 0.08566 -0.33956 9 5PZ 0.03612 -0.08313 0.13180 0.07458 -0.02139 10 6PX 0.12068 0.14897 0.18553 0.26591 -0.42660 11 6PY -0.19961 -0.22981 0.04296 -0.05866 0.26514 12 6PZ 0.05594 -0.01997 -0.36934 -0.15111 -0.24762 13 7D 0 -0.00206 0.00070 0.03029 -0.04872 0.12188 14 7D+1 -0.04707 0.00868 0.08422 0.03311 -0.11264 15 7D-1 0.13439 -0.04382 -0.13819 -0.01726 -0.01447 16 7D+2 -0.00994 -0.08366 -0.06009 0.00415 -0.00757 17 7D-2 -0.00623 0.09050 0.04461 -0.01711 0.07950 18 8D 0 0.01484 0.01025 -0.05727 0.07797 -0.18976 19 8D+1 0.06037 -0.02262 -0.13101 -0.04579 0.16748 20 8D-1 -0.19034 0.05676 0.18433 0.01948 0.02419 21 8D+2 0.01649 0.12515 0.09105 -0.00407 -0.00808 22 8D-2 0.00967 -0.12602 -0.05516 0.02645 -0.11590 23 2 Cu 1S 0.05288 -0.00553 0.00024 0.04309 -0.00872 24 2S 0.13373 -0.01407 0.00061 0.10307 -0.02089 25 3S -0.67752 0.07086 -0.00086 -0.28754 0.05241 26 4PX -0.00878 -0.00052 -0.00374 -0.00122 0.00211 27 4PY 0.01650 -0.00278 -0.00260 0.00282 0.00075 28 4PZ -0.00211 -0.00227 -0.00643 0.00054 0.00310 29 5PX 0.07383 -0.04981 0.00703 0.00137 -0.00861 30 5PY 0.08833 -0.04139 0.00549 0.08527 -0.02231 31 5PZ -0.09082 -0.06380 0.01285 -0.03934 -0.00741 32 6PX 0.11705 -0.07782 -0.01337 -0.01188 0.04603 33 6PY -0.04593 -0.04114 -0.00857 -0.05812 0.04139 34 6PZ -0.06758 -0.10542 -0.02268 0.05094 0.05887 35 7D 0 -0.01982 0.02765 -0.23944 0.14067 0.04248 36 7D+1 -0.07663 0.03732 0.09536 -0.02871 -0.04064 37 7D-1 0.08646 -0.06969 0.03156 -0.04338 0.02522 38 7D+2 0.15523 0.02231 0.06630 0.03771 -0.04823 39 7D-2 -0.08944 -0.01975 0.12466 0.23795 -0.08104 40 8D 0 0.02879 -0.06299 0.38625 -0.23524 -0.06174 41 8D+1 0.12756 -0.04937 -0.14337 0.04093 0.06233 42 8D-1 -0.10954 0.10616 -0.06589 0.06593 -0.03699 43 8D+2 -0.22386 -0.02925 -0.09474 -0.06759 0.07519 44 8D-2 0.11933 0.04267 -0.20550 -0.39483 0.13144 45 3 Cu 1S -0.00854 0.02147 0.00033 0.00449 0.00442 46 2S -0.01683 0.04200 0.00144 -0.00945 -0.01136 47 3S 0.13584 -0.41429 0.02135 -0.63538 -0.67488 48 4PX 0.01934 0.00401 0.00930 0.00510 -0.00426 49 4PY 0.00638 0.01158 0.00499 0.00377 -0.00181 50 4PZ -0.00307 0.00147 -0.00119 0.00470 0.00622 51 5PX -0.07054 0.00248 0.13070 -0.12758 -0.07063 52 5PY -0.02205 -0.09210 0.05887 0.12647 0.20856 53 5PZ 0.03556 -0.06899 -0.00687 -0.14663 -0.16058 54 6PX 0.04648 -0.18034 -0.37222 0.31252 0.00368 55 6PY -0.16727 0.25391 -0.17982 -0.23503 -0.41619 56 6PZ -0.00773 -0.01183 0.04421 -0.22066 -0.19356 57 7D 0 0.00637 -0.03411 -0.00058 0.02818 0.02908 58 7D+1 0.05013 -0.03598 -0.00935 -0.01565 0.00682 59 7D-1 -0.00393 0.09529 0.01189 0.03523 0.05017 60 7D+2 0.12279 0.03266 0.15183 -0.08067 -0.06600 61 7D-2 -0.07201 -0.04567 -0.09681 -0.09357 -0.11578 62 8D 0 -0.01319 0.05595 -0.00271 -0.04284 -0.04323 63 8D+1 -0.06870 0.05658 0.03424 0.01857 -0.01819 64 8D-1 0.00684 -0.13664 -0.00627 -0.04174 -0.06145 65 8D+2 -0.16782 -0.05586 -0.21336 0.11935 0.10632 66 8D-2 0.10869 0.04977 0.13757 0.14903 0.17666 67 4 Cu 1S -0.00588 0.00103 0.00000 -0.00242 0.00010 68 2S -0.00834 0.00133 0.00000 -0.00260 0.00006 69 3S 0.14281 -0.02993 -0.00010 0.08352 -0.00291 70 4PX -0.00272 -0.00109 0.00010 0.00278 -0.00286 71 4PY -0.00027 -0.00110 0.00007 0.00183 -0.00193 72 4PZ 0.00132 -0.00264 0.00010 -0.00355 -0.00309 73 5PX -0.03692 -0.03338 0.00030 0.03631 -0.02115 74 5PY -0.07024 -0.01289 0.00028 -0.01552 -0.01170 75 5PZ 0.03969 -0.06310 0.00107 -0.02344 -0.02180 76 6PX 0.20478 0.09323 0.00197 0.03591 -0.03416 77 6PY 0.07915 0.07580 0.00118 0.00845 -0.02192 78 6PZ -0.11842 0.21019 0.00088 -0.03770 -0.03717 79 7D 0 0.02594 -0.09775 0.00194 -0.05716 -0.06878 80 7D+1 0.09338 -0.04827 0.00305 -0.12217 -0.04632 81 7D-1 -0.03292 0.12213 -0.00470 0.11541 0.13698 82 7D+2 -0.12188 -0.04792 0.00483 0.13525 -0.13051 83 7D-2 0.07358 0.07159 -0.00338 -0.08539 0.10414 84 8D 0 -0.04365 0.16447 -0.00329 0.09595 0.11846 85 8D+1 -0.15599 0.06404 -0.00448 0.20301 0.06316 86 8D-1 0.03553 -0.17924 0.00723 -0.17101 -0.21572 87 8D+2 0.17871 0.06363 -0.00729 -0.21426 0.19949 88 8D-2 -0.10668 -0.11496 0.00536 0.12867 -0.16793 89 5 Cu 1S -0.02392 0.05054 0.00183 -0.02931 -0.03384 90 2S -0.06171 0.12912 0.00452 -0.07313 -0.08370 91 3S 0.25909 -0.60859 -0.01065 0.13335 0.18887 92 4PX 0.00059 -0.00957 0.00665 -0.00195 0.00440 93 4PY -0.00898 0.01539 0.00376 -0.00398 -0.00138 94 4PZ 0.00020 -0.00036 -0.00066 -0.00017 -0.00050 95 5PX -0.05618 -0.04607 -0.01515 0.04663 0.01100 96 5PY -0.05401 0.02712 -0.00505 -0.03571 -0.06072 97 5PZ -0.03427 0.11342 0.00215 -0.01000 -0.02051 98 6PX -0.12628 -0.02864 0.01999 -0.07763 0.04346 99 6PY -0.03324 -0.04231 0.00785 0.00417 0.05723 100 6PZ -0.03897 0.12424 -0.00254 0.04919 0.03233 101 7D 0 -0.02995 0.05963 0.04853 -0.10367 -0.08938 102 7D+1 -0.04797 0.09117 -0.25377 0.11840 -0.02091 103 7D-1 0.07118 -0.16027 -0.12617 -0.06107 -0.14481 104 7D+2 0.06162 0.04081 0.01641 -0.04248 -0.08498 105 7D-2 -0.03630 -0.03054 -0.03511 -0.10916 -0.11753 106 8D 0 0.04756 -0.10550 -0.07759 0.16730 0.14637 107 8D+1 0.08912 -0.12034 0.40647 -0.18926 0.02809 108 8D-1 -0.08681 0.22555 0.19967 0.10237 0.23331 109 8D+2 -0.09729 -0.05592 -0.04460 0.07699 0.13954 110 8D-2 0.05492 0.05311 0.06808 0.18267 0.20113 111 6 Cu 1S 0.00500 -0.00039 0.00003 0.00268 -0.00096 112 2S 0.00939 -0.00076 0.00006 0.00479 -0.00193 113 3S -0.05803 -0.01867 -0.00102 0.01424 0.02686 114 4PX -0.01814 -0.00889 -0.00024 -0.00342 0.00410 115 4PY -0.00698 -0.00657 -0.00014 -0.00147 0.00238 116 4PZ 0.01052 -0.01961 -0.00028 0.00458 0.00493 117 5PX 0.48231 0.23070 0.01561 0.38847 -0.39785 118 5PY 0.21078 0.17165 0.01023 0.16650 -0.25659 119 5PZ -0.29000 0.51292 0.02051 -0.46341 -0.44338 120 6PX 0.08787 0.09252 -0.00359 -0.13595 0.12187 121 6PY 0.05189 0.05838 -0.00270 -0.06962 0.08309 122 6PZ -0.04816 0.18145 -0.00633 0.16270 0.13251 123 7D 0 0.03070 -0.13137 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-0.00243 0.00760 -0.00595 -0.01306 -0.00103 7 5PX 0.31372 -0.23321 -0.60461 -0.20204 0.11927 8 5PY -0.04637 0.18907 -0.00677 -0.07218 0.37471 9 5PZ 0.15600 -0.59136 0.42253 0.48608 0.39618 10 6PX 0.29814 -0.13134 -0.31347 0.16123 0.19862 11 6PY -0.21969 -0.18421 -0.24934 0.06010 0.22194 12 6PZ 0.14082 -0.33101 0.19774 -0.34381 0.59705 13 7D 0 -0.02353 0.02342 -0.04865 0.03123 -0.09209 14 7D+1 -0.02404 0.02708 -0.04493 0.06459 0.05402 15 7D-1 -0.02649 -0.03479 -0.04807 -0.10356 0.08820 16 7D+2 -0.05917 -0.00803 0.03710 -0.04843 -0.02861 17 7D-2 -0.09969 -0.12005 -0.07101 0.03889 0.00035 18 8D 0 0.06999 -0.02758 0.06989 -0.07346 0.15710 19 8D+1 0.01173 -0.03576 0.08525 -0.12172 -0.09632 20 8D-1 0.03807 0.08665 0.03863 0.14912 -0.16772 21 8D+2 0.10283 0.04029 -0.05013 0.08500 0.05121 22 8D-2 0.17863 0.18949 0.13941 -0.05087 0.00743 23 2 Cu 1S 0.08451 0.00527 -0.03758 -0.00072 -0.00584 24 2S 0.15785 0.00164 -0.01035 -0.00147 -0.00823 25 3S -2.46350 -0.25971 1.87421 0.00987 0.14797 26 4PX 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-0.07377 0.12375 -0.05302 -0.00316 -0.08869 47 3S -0.01842 -1.10593 0.52561 0.04831 2.00908 48 4PX 0.00106 -0.00307 0.01080 -0.01270 -0.00689 49 4PY -0.00138 0.01349 0.00028 -0.00671 0.01077 50 4PZ 0.00713 0.00262 -0.00223 0.00118 -0.00382 51 5PX 0.07295 -0.07777 -0.70231 0.46848 0.31847 52 5PY -0.22315 -0.50787 -0.19181 0.25482 -0.08765 53 5PZ -0.25364 -0.35162 0.23820 -0.03295 0.47850 54 6PX 0.13242 -0.17107 -0.32043 -0.34790 0.33227 55 6PY -0.34517 -0.03297 -0.21236 -0.19525 0.15397 56 6PZ -0.14650 -0.38420 0.21245 0.04772 0.53327 57 7D 0 -0.09909 0.10886 -0.03139 -0.00144 -0.08328 58 7D+1 0.00542 0.01002 -0.08212 -0.01083 -0.04529 59 7D-1 -0.01775 -0.06500 -0.00577 0.01250 0.02244 60 7D+2 -0.03666 0.04766 0.00531 0.11654 0.02303 61 7D-2 -0.06058 0.04510 -0.03816 -0.08004 0.10959 62 8D 0 0.15095 -0.19320 0.06305 -0.00264 0.14369 63 8D+1 -0.01342 -0.01639 0.10561 0.04919 0.08771 64 8D-1 0.02167 0.07778 0.00005 -0.00281 -0.03573 65 8D+2 0.08444 -0.09503 -0.04564 -0.18386 -0.03459 66 8D-2 0.13457 -0.07300 0.08618 0.13006 -0.19841 67 4 Cu 1S -0.01359 -0.00002 -0.00006 -0.00008 -0.00124 68 2S 0.04343 0.00008 -0.00109 -0.00017 -0.00227 69 3S 2.15048 0.00933 -0.03125 0.00023 0.01610 70 4PX -0.00731 0.00129 0.00382 -0.00001 -0.00220 71 4PY 0.01438 0.00109 0.00161 -0.00003 -0.00151 72 4PZ -0.00168 0.00327 -0.00211 -0.00025 -0.00462 73 5PX 0.33652 -0.05053 -0.12795 0.00191 0.03734 74 5PY -0.65347 -0.04196 -0.05099 0.00158 0.02250 75 5PZ 0.07396 -0.12666 0.06933 0.00524 0.07725 76 6PX 0.10585 0.06802 0.18373 -0.00098 -0.10566 77 6PY -0.14767 0.05019 0.09525 -0.00169 -0.08065 78 6PZ -0.00475 0.16584 -0.10704 -0.01087 -0.22792 79 7D 0 0.00604 -0.36173 0.07264 0.00657 -0.00432 80 7D+1 0.00424 0.10825 0.36613 -0.00665 -0.02824 81 7D-1 0.00742 -0.01335 0.22740 0.00061 0.04569 82 7D+2 0.00586 0.12472 -0.02500 -0.00227 -0.02915 83 7D-2 0.00171 0.17781 -0.04028 -0.00370 0.01128 84 8D 0 -0.03001 0.65878 -0.13269 -0.01195 0.00583 85 8D+1 -0.00464 -0.18937 -0.66721 0.01201 0.05586 86 8D-1 -0.01871 0.01224 -0.40576 -0.00086 -0.08873 87 8D+2 -0.02957 -0.21981 0.05751 0.00388 0.05751 88 8D-2 -0.03118 -0.32585 0.06502 0.00684 -0.02088 89 5 Cu 1S 0.09442 -0.03019 0.01163 0.00114 0.05544 90 2S 0.17837 -0.00299 -0.00146 0.00096 0.07033 91 3S -2.59015 1.59165 -0.65671 -0.04201 -1.50483 92 4PX -0.00238 0.00378 0.00359 0.00257 -0.00107 93 4PY 0.00188 0.00039 0.00209 0.00131 -0.00151 94 4PZ -0.01598 0.01466 -0.00668 -0.00068 -0.01203 95 5PX -0.08640 -0.18687 -0.01206 -0.11870 0.07060 96 5PY 0.26059 0.16792 -0.11806 -0.06514 0.08685 97 5PZ 0.60993 -0.56858 0.24957 0.02780 0.53175 98 6PX -0.03994 0.05578 0.13479 0.11436 0.04893 99 6PY 0.20328 0.03160 0.05223 0.05227 -0.23468 100 6PZ 0.52991 -0.03584 -0.01549 -0.01392 -0.10471 101 7D 0 0.10798 0.05149 -0.02298 -0.00733 -0.01896 102 7D+1 0.02374 0.00672 -0.00594 0.04977 -0.05779 103 7D-1 -0.03425 0.01653 -0.01896 -0.00145 0.10968 104 7D+2 0.06943 -0.11962 -0.10165 -0.24287 -0.05705 105 7D-2 0.10753 -0.07158 0.11356 0.16815 -0.26689 106 8D 0 -0.19782 -0.07164 0.03328 0.01566 0.02737 107 8D+1 -0.03208 -0.00674 0.00550 -0.10595 0.09478 108 8D-1 0.03848 -0.03602 0.03792 -0.00518 -0.18026 109 8D+2 -0.11859 0.21939 0.18754 0.43937 0.10461 110 8D-2 -0.18906 0.12964 -0.20880 -0.30598 0.49790 111 6 Cu 1S -0.07351 -0.00069 0.00285 0.00006 0.00135 112 2S -0.05971 -0.00042 0.00209 0.00011 0.00235 113 3S 6.78820 0.04201 -0.16904 -0.00431 -0.05432 114 4PX 0.03584 -0.00237 -0.00445 0.00025 -0.01210 115 4PY -0.06570 -0.00220 -0.00045 0.00017 -0.00859 116 4PZ 0.00592 -0.00581 0.00181 -0.00021 -0.02508 117 5PX -0.18313 -0.04800 -0.16430 -0.00353 0.48537 118 5PY 0.20072 -0.02989 -0.10473 -0.00032 0.35751 119 5PZ 0.03889 -0.12170 0.10664 0.01707 1.01193 120 6PX -0.20730 -0.18496 -0.38430 0.00630 0.09140 121 6PY 0.24182 -0.13694 -0.20860 0.00358 0.06024 122 6PZ 0.03619 -0.44711 0.22433 0.00413 0.17382 123 7D 0 0.01247 0.12535 -0.02688 -0.00233 0.04390 124 7D+1 -0.00498 -0.03124 -0.12391 0.00104 -0.07765 125 7D-1 0.01103 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0.00724 -0.01124 -0.00299 -0.00877 0.00655 29 5PX 0.42416 0.07640 0.08293 -0.08560 0.05503 30 5PY 0.23257 0.06845 -0.17351 0.06162 0.50217 31 5PZ -0.32549 0.14364 0.03636 0.02800 -0.23636 32 6PX 0.00764 -0.24869 -0.11771 -0.37469 0.00490 33 6PY -0.20297 -0.22600 0.52093 0.13657 0.14061 34 6PZ 0.05402 -0.44479 -0.19406 0.15364 -0.06198 35 7D 0 -0.13807 -0.03571 0.00603 0.09468 -0.05022 36 7D+1 -0.06360 0.10574 0.04554 0.12742 -0.00628 37 7D-1 -0.19213 -0.13497 0.07217 0.05986 -0.14992 38 7D+2 -0.16935 0.12021 0.05202 -0.00512 -0.16444 39 7D-2 -0.09311 -0.01696 -0.05531 0.07585 0.03371 40 8D 0 0.26100 0.05538 -0.01155 -0.18405 0.09702 41 8D+1 0.12760 -0.18561 -0.07696 -0.22006 0.01840 42 8D-1 0.34501 0.24089 -0.12466 -0.09988 0.30212 43 8D+2 0.29789 -0.21179 -0.09232 0.00007 0.32344 44 8D-2 0.18788 0.03486 0.09393 -0.16725 -0.07633 45 3 Cu 1S 0.03214 0.00005 0.00090 0.02337 0.05847 46 2S 0.03419 -0.00478 0.00337 -0.02955 0.03189 47 3S -0.89920 -0.38057 0.11169 -2.81158 -1.85938 48 4PX 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0.00911 0.00676 -0.02105 -0.29447 -0.23676 69 3S -0.01611 -0.07304 0.18878 4.05341 1.72598 70 4PX -0.00290 0.00596 0.01046 -0.01386 -0.00448 71 4PY -0.00137 0.00390 0.00617 0.02446 0.00815 72 4PZ 0.00197 0.01196 -0.00724 -0.00165 -0.00074 73 5PX 0.04468 -0.10265 -0.15864 0.50106 0.14993 74 5PY 0.02163 -0.05436 -0.12109 -0.91249 -0.28430 75 5PZ -0.03114 -0.19665 0.11960 0.07762 0.03015 76 6PX -0.15175 0.23704 0.47863 0.26053 0.22191 77 6PY -0.06859 0.18905 0.18906 -0.54232 -0.41225 78 6PZ 0.10104 0.49952 -0.29762 0.08384 0.03777 79 7D 0 0.01318 -0.11332 0.02718 0.10240 0.11435 80 7D+1 0.04933 0.10791 0.08912 -0.01620 -0.01553 81 7D-1 0.00172 -0.10226 0.14002 0.01860 0.03048 82 7D+2 -0.03699 0.10749 0.09094 0.09940 0.11020 83 7D-2 0.01829 0.02983 -0.07794 0.16012 0.16679 84 8D 0 -0.02406 0.20494 -0.05035 -0.21042 -0.22836 85 8D+1 -0.08857 -0.18956 -0.16068 0.03289 0.03097 86 8D-1 0.00411 0.17686 -0.24778 -0.04056 -0.06135 87 8D+2 0.07476 -0.18822 -0.15942 -0.20444 -0.22042 88 8D-2 -0.03946 -0.05466 0.13461 -0.32656 -0.33273 89 5 Cu 1S -0.02063 -0.01302 0.00277 -0.05204 -0.08869 90 2S -0.02411 -0.03908 0.01081 -0.10743 -0.21435 91 3S 0.56522 -0.12852 0.11722 1.07279 -0.51719 92 4PX -0.00125 -0.00935 -0.00928 -0.00369 0.00407 93 4PY -0.00059 0.00466 -0.00919 0.01080 -0.00925 94 4PZ 0.00470 0.00004 0.00193 0.01345 -0.00921 95 5PX 0.10018 0.14404 0.08907 -0.04290 -0.19737 96 5PY 0.03302 -0.10729 0.14535 0.04816 0.42176 97 5PZ -0.22384 0.03605 -0.03539 -0.10750 0.30941 98 6PX -0.17273 -0.40763 -0.33969 -0.16056 -0.06198 99 6PY 0.00667 0.29632 -0.42346 0.27226 0.15276 100 6PZ 0.08564 0.18638 -0.06526 -0.32726 0.06705 101 7D 0 0.01895 -0.03943 -0.00251 -0.09157 -0.02580 102 7D+1 -0.01935 0.06409 0.04591 -0.04473 -0.08089 103 7D-1 -0.04678 -0.05056 0.09505 0.01169 0.16858 104 7D+2 0.26091 0.07467 0.12808 0.09001 -0.09438 105 7D-2 -0.03354 -0.04391 -0.08918 0.14156 -0.10229 106 8D 0 -0.03279 0.06587 0.00423 0.14168 0.04097 107 8D+1 0.04473 -0.11027 -0.07448 0.08759 0.16232 108 8D-1 0.07761 0.08951 -0.16461 -0.03802 -0.34046 109 8D+2 -0.48416 -0.13047 -0.22824 -0.17382 0.18551 110 8D-2 0.06138 0.08171 0.15815 -0.27402 0.19977 111 6 Cu 1S -0.00551 -0.00139 0.00341 0.07364 -0.05990 112 2S -0.00799 -0.00499 0.01383 0.24698 0.15966 113 3S 0.29641 0.01038 -0.06115 0.46009 6.05461 114 4PX -0.02241 -0.00088 0.00142 0.02365 0.01309 115 4PY -0.01370 0.00005 -0.00009 -0.04446 -0.02434 116 4PZ 0.01561 -0.00173 -0.00048 0.00455 0.00203 117 5PX 0.90760 -0.07819 -0.32506 -1.25586 -0.54573 118 5PY 0.45037 -0.11427 -0.01390 2.42620 1.02806 119 5PZ -0.59355 -0.18405 0.15254 -0.27957 -0.09845 120 6PX 0.20567 0.25023 0.47011 -0.01401 -0.33131 121 6PY 0.12111 0.18424 0.23108 0.01492 0.53130 122 6PZ -0.13315 0.52316 -0.31178 0.01290 -0.01471 123 7D 0 -0.00849 0.02179 -0.01647 -0.07714 0.04436 124 7D+1 -0.05558 0.09665 -0.01884 0.01461 -0.00644 125 7D-1 -0.09655 -0.15332 0.11485 -0.03141 0.01111 126 7D+2 -0.06216 0.10327 0.14706 -0.08267 0.04248 127 7D-2 0.06759 -0.04123 -0.12066 -0.10831 0.06626 128 8D 0 0.01060 -0.05309 0.03646 0.17570 -0.12695 129 8D+1 0.08812 -0.17519 0.04753 -0.03363 0.01815 130 8D-1 0.14082 0.28542 -0.20350 0.06740 -0.03342 131 8D+2 0.08184 -0.18848 -0.27006 0.18692 -0.12210 132 8D-2 -0.10163 0.08132 0.22521 0.25004 -0.18731 133 7 Cu 1S -0.02948 0.01563 0.00642 -0.04993 -0.08870 134 2S -0.03585 0.04319 0.01959 -0.10314 -0.21395 135 3S 0.80184 0.05239 0.10502 1.03734 -0.51871 136 4PX -0.00537 0.00777 -0.00234 -0.01555 0.01229 137 4PY -0.00368 -0.00561 -0.00614 0.00221 -0.00347 138 4PZ -0.00121 -0.00611 0.01071 -0.00754 0.00492 139 5PX 0.27836 -0.09820 0.00656 0.03258 -0.48012 140 5PY 0.15237 0.12552 0.12458 0.10765 0.22141 141 5PZ 0.02192 0.08350 -0.12758 0.03973 -0.17746 142 6PX -0.17627 0.45582 0.07372 0.09378 -0.13432 143 6PY 0.02672 -0.24001 -0.22823 0.42734 0.09826 144 6PZ 0.08045 -0.17842 0.49365 0.08167 -0.05929 145 7D 0 0.04389 -0.02162 0.01142 0.13900 -0.07296 146 7D+1 -0.19214 0.06726 0.01079 -0.11186 0.10569 147 7D-1 0.17452 -0.11151 0.13283 -0.05396 -0.06253 148 7D+2 0.06835 0.04362 0.08275 0.05460 0.11289 149 7D-2 0.06713 0.04034 -0.08099 0.01242 -0.14529 150 8D 0 -0.08281 0.03215 -0.01673 -0.26136 0.14432 151 8D+1 0.35605 -0.11844 -0.01373 0.19312 -0.21530 152 8D-1 -0.31709 0.19753 -0.23267 0.09304 0.12179 153 8D+2 -0.14066 -0.07359 -0.14774 -0.12546 -0.23257 154 8D-2 -0.11822 -0.06953 0.14198 -0.04354 0.28136 155 8 Cu 1S -0.07565 -0.00050 0.00729 0.02101 0.06184 156 2S -0.08616 0.00026 -0.00121 -0.03157 0.03541 157 3S 2.13869 0.07817 -0.81497 -2.67586 -1.96977 158 4PX -0.00944 0.00263 0.00345 0.01831 0.02113 159 4PY 0.01275 0.00197 -0.00378 0.00831 -0.00393 160 4PZ 0.00053 0.00520 -0.00005 -0.01401 -0.01078 161 5PX 0.53611 0.12193 -0.11841 -0.56118 -0.49371 162 5PY -0.13907 0.10464 -0.26492 0.03982 0.27587 163 5PZ -0.21584 0.17748 0.20300 0.31056 0.17640 164 6PX 0.46187 -0.36887 -0.31053 -0.00271 -0.17159 165 6PY 0.25388 -0.34148 0.87343 -0.44732 -0.02698 166 6PZ -0.31100 -0.64570 -0.26989 0.16082 0.11017 167 7D 0 0.07499 -0.15805 -0.02824 -0.07439 -0.03855 168 7D+1 0.11571 0.10432 0.06943 -0.03438 -0.07552 169 7D-1 0.06772 -0.05757 0.14120 0.02067 -0.01326 170 7D+2 -0.01221 0.09139 0.08144 0.01480 0.03666 171 7D-2 0.04877 0.07581 -0.14847 -0.12361 -0.03294 172 8D 0 -0.13371 0.26728 0.05715 0.16485 0.08808 173 8D+1 -0.20027 -0.16532 -0.09970 0.06973 0.11893 174 8D-1 -0.11588 0.07781 -0.22569 -0.02922 0.01291 175 8D+2 0.02439 -0.14063 -0.13329 -0.00790 -0.04932 176 8D-2 -0.09107 -0.13441 0.25042 0.26506 0.10291 177 9 C 1S -0.00259 -0.00023 0.00200 -0.00180 -0.00480 178 2S 0.05783 0.01549 -0.05389 -0.58220 0.68285 179 3S -0.08190 -0.04261 0.13438 1.95102 -1.04947 180 4PX -0.03442 0.02122 0.03287 -0.18459 0.16140 181 4PY -0.02364 0.01043 0.02545 0.34901 -0.30803 182 4PZ 0.02524 0.03964 -0.02464 -0.03516 0.03262 183 5PX -0.24930 0.10267 0.21530 -0.13467 -0.13522 184 5PY -0.12017 0.06832 0.12087 0.30437 0.18990 185 5PZ 0.16304 0.20320 -0.14492 -0.05222 0.00182 186 10 O 1S 0.00062 -0.00001 -0.00060 -0.00127 -0.00047 187 2S 0.00079 0.00124 0.00187 -0.07311 0.11593 188 3S -0.00327 0.00062 -0.00516 0.07368 -0.10570 189 4PX -0.02525 0.04446 0.08581 -0.07688 0.03671 190 4PY -0.02418 0.02922 0.05376 0.18346 -0.11986 191 4PZ 0.02104 0.08952 -0.06035 -0.03158 0.02894 192 5PX 0.12784 -0.10730 -0.22491 -0.00051 0.12696 193 5PY 0.05561 -0.07812 -0.11179 -0.04891 -0.16109 194 5PZ -0.08190 -0.21987 0.14728 0.02223 -0.00941 166 167 168 169 170 V V V V V EIGENVALUES -- 0.99734 1.05829 1.05855 1.06013 1.06017 1 1 Cu 1S -0.03043 0.02691 -0.00839 0.00698 -0.06218 2 2S -0.13796 0.07251 -0.01880 0.01210 -0.11983 3 3S -1.46234 -0.04702 0.08103 -0.13991 1.05332 4 4PX 0.00658 0.00977 0.00425 0.00700 0.01227 5 4PY -0.00513 -0.00780 0.00382 0.00134 0.01681 6 4PZ 0.00138 -0.00025 -0.00965 -0.02207 0.00532 7 5PX 0.01840 -0.26102 -0.06369 0.01448 -0.20117 8 5PY 0.80806 0.18438 -0.07082 0.00599 -0.18921 9 5PZ 0.11827 -0.04850 0.19566 0.08522 -0.12345 10 6PX 0.36279 0.01736 -0.04985 0.05424 -0.19069 11 6PY 0.00649 0.00056 -0.02164 0.02745 -0.14467 12 6PZ 0.13661 0.01302 0.06500 -0.04511 -0.12100 13 7D 0 -0.08480 -0.10085 0.07490 0.11900 0.08343 14 7D+1 -0.00203 0.10092 0.05621 0.15721 -0.07038 15 7D-1 -0.02109 -0.00123 -0.07389 -0.08476 -0.09691 16 7D+2 -0.10395 -0.05425 -0.04187 -0.09457 0.01526 17 7D-2 -0.12354 -0.05520 0.01306 0.03609 -0.12983 18 8D 0 0.21172 0.19408 -0.13912 -0.22278 -0.17013 19 8D+1 -0.01533 -0.18931 -0.10187 -0.30936 0.14705 20 8D-1 0.01843 0.00136 0.13868 0.19313 0.19873 21 8D+2 0.25432 0.11061 0.07545 0.18804 -0.02740 22 8D-2 0.23468 0.10164 -0.02336 -0.08439 0.25781 23 2 Cu 1S 0.09574 -0.00621 0.01837 0.00594 -0.00390 24 2S 0.18545 -0.01957 0.04664 -0.03661 0.01167 25 3S -0.05637 0.06052 -0.14681 0.09740 -0.02846 26 4PX -0.00433 -0.00709 -0.00111 0.01056 0.00002 27 4PY 0.00807 -0.00201 -0.01097 -0.00648 0.00652 28 4PZ -0.00069 -0.01368 -0.00112 0.00175 0.00690 29 5PX 0.12550 0.12873 0.00554 -0.02691 -0.04514 30 5PY 0.14615 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-0.00250 0.00371 0.00304 0.01494 0.01397 51 5PX -0.34094 0.22422 -0.01946 -0.09195 0.03241 52 5PY 0.56107 -0.09709 -0.26798 0.00909 0.06323 53 5PZ -0.49994 -0.10592 -0.09852 -0.22850 -0.18564 54 6PX 0.08910 0.05643 -0.05657 0.01571 -0.05555 55 6PY -0.19287 0.03755 -0.02177 0.01073 -0.02544 56 6PZ -0.33583 -0.01040 -0.00230 -0.21887 -0.16134 57 7D 0 -0.09461 -0.00228 -0.01135 0.13314 0.12698 58 7D+1 0.02038 -0.03662 0.01439 0.12477 -0.06331 59 7D-1 -0.04449 -0.01290 -0.00073 -0.00906 -0.06442 60 7D+2 -0.08108 0.11359 0.01684 -0.11376 0.12069 61 7D-2 -0.12616 0.03911 0.13117 0.04794 -0.12489 62 8D 0 0.16200 0.00357 0.01941 -0.27258 -0.25361 63 8D+1 -0.07002 0.06977 -0.02273 -0.23533 0.10815 64 8D-1 0.12724 0.01909 -0.00432 0.02445 0.11629 65 8D+2 0.18431 -0.20956 -0.03631 0.23760 -0.25042 66 8D-2 0.29105 -0.07925 -0.24596 -0.09711 0.25665 67 4 Cu 1S 0.03883 0.00002 -0.00062 0.00052 0.00011 68 2S 0.13035 0.00001 -0.00063 0.00047 0.00004 69 3S 1.42253 0.00172 -0.01039 0.00939 0.00213 70 4PX -0.00285 0.00894 -0.00653 -0.00621 0.00878 71 4PY 0.00517 0.00565 -0.00281 -0.00215 0.00532 72 4PZ -0.00048 0.00799 0.01177 0.00872 0.00544 73 5PX 0.18367 -0.17489 0.12805 0.09302 -0.13239 74 5PY -0.34068 -0.10953 0.05303 0.03320 -0.07913 75 5PZ 0.03267 -0.15228 -0.22304 -0.12486 -0.07756 76 6PX 0.02682 0.00991 -0.00701 -0.02314 0.03593 77 6PY -0.05469 0.00605 0.00047 -0.01050 0.02143 78 6PZ 0.00817 0.01280 0.01656 0.03937 0.02618 79 7D 0 -0.03557 0.09834 0.09822 0.13161 0.13963 80 7D+1 0.00680 -0.00686 0.13229 0.17847 -0.09265 81 7D-1 -0.00795 -0.10334 -0.08032 -0.01793 -0.11462 82 7D+2 -0.03548 0.08820 -0.09756 -0.11023 0.08182 83 7D-2 -0.05417 -0.10670 0.01921 0.00792 -0.13663 84 8D 0 0.04947 -0.20970 -0.20926 -0.28059 -0.29861 85 8D+1 -0.01065 0.01994 -0.27837 -0.37915 0.20218 86 8D-1 0.01036 0.21448 0.16030 0.03032 0.24153 87 8D+2 0.05003 -0.17891 0.20292 0.23150 -0.16636 88 8D-2 0.07649 0.22316 -0.03645 -0.01212 0.28773 89 5 Cu 1S 0.08506 -0.01364 -0.01665 -0.00304 -0.00347 90 2S 0.16429 -0.03196 -0.03849 0.03654 0.02564 91 3S 0.07185 0.10680 0.13484 -0.11316 -0.07121 92 4PX -0.00411 -0.01444 0.00551 -0.00817 0.00176 93 4PY 0.00712 -0.00007 0.01278 0.00485 0.00807 94 4PZ -0.00046 0.00322 0.00154 -0.00480 -0.00438 95 5PX -0.02796 0.24173 -0.07439 0.07609 -0.04078 96 5PY 0.09337 -0.02400 -0.23110 -0.02852 -0.07568 97 5PZ 0.17754 -0.06214 -0.03941 -0.03699 -0.02123 98 6PX -0.12025 0.03390 0.00426 -0.03948 0.06563 99 6PY 0.19376 -0.02340 -0.05140 -0.02026 0.03568 100 6PZ -0.07981 -0.02087 -0.02305 0.09766 0.06205 101 7D 0 0.18363 -0.07451 -0.03462 0.06278 0.06790 102 7D+1 0.02619 0.18690 -0.09569 0.11076 -0.03763 103 7D-1 0.03888 0.03003 -0.11355 -0.03199 -0.07765 104 7D+2 -0.06813 -0.15778 -0.01178 -0.07356 0.03289 105 7D-2 -0.09193 -0.02732 -0.20062 -0.01563 -0.09055 106 8D 0 -0.41334 0.15225 0.06952 -0.11171 -0.12812 107 8D+1 -0.05192 -0.38539 0.19962 -0.22320 0.09108 108 8D-1 -0.09261 -0.06527 0.22687 0.04982 0.15137 109 8D+2 0.13527 0.34733 0.02022 0.16076 -0.07051 110 8D-2 0.18046 0.05492 0.43373 0.03193 0.19447 111 6 Cu 1S 0.09849 -0.00057 0.00136 -0.00106 0.00047 112 2S 0.47529 -0.00168 0.00193 -0.00170 0.00199 113 3S 1.76193 0.00666 -0.02960 0.02861 -0.00094 114 4PX 0.02039 0.01114 -0.00845 0.00800 -0.01105 115 4PY -0.03675 0.00675 -0.00333 0.00253 -0.00695 116 4PZ 0.00271 0.00762 0.01122 -0.01459 -0.00942 117 5PX -1.68820 -0.21061 0.15527 0.01367 -0.03025 118 5PY 3.21083 -0.13456 0.06409 0.01558 -0.00543 119 5PZ -0.34280 -0.17282 -0.25115 0.00612 0.00655 120 6PX 0.15524 -0.16449 0.12731 0.04510 -0.07168 121 6PY -0.28121 -0.10050 0.04561 0.02369 -0.04286 122 6PZ 0.02671 -0.13308 -0.20055 -0.05716 -0.03563 123 7D 0 -0.02646 -0.12945 -0.10949 0.12170 0.11937 124 7D+1 0.00758 0.10902 -0.14951 0.13491 -0.06231 125 7D-1 -0.00713 0.07884 -0.04355 -0.00728 -0.08076 126 7D+2 -0.02945 -0.01555 0.06964 -0.07675 0.03765 127 7D-2 -0.04086 0.09526 0.01474 -0.01084 -0.09664 128 8D 0 0.12354 0.26297 0.22266 -0.26353 -0.26018 129 8D+1 -0.02701 -0.22183 0.30731 -0.28995 0.14629 130 8D-1 0.03467 -0.16384 0.08552 -0.00130 0.16926 131 8D+2 0.13083 0.03478 -0.14253 0.15975 -0.06679 132 8D-2 0.18589 -0.19564 -0.02682 0.03104 0.20374 133 7 Cu 1S 0.08736 0.02054 -0.00258 -0.00121 0.00659 134 2S 0.16904 0.05323 -0.01065 0.00409 -0.03900 135 3S 0.04276 -0.17075 0.03659 -0.01672 0.10727 136 4PX -0.00425 0.00874 0.00496 -0.00405 0.00086 137 4PY 0.00723 -0.00580 0.00257 0.00083 -0.01287 138 4PZ -0.00047 0.00074 -0.01483 0.00803 0.00093 139 5PX -0.18767 -0.16730 -0.08120 0.06447 -0.08135 140 5PY -0.01897 0.13220 -0.05639 -0.00011 0.06018 141 5PZ -0.09197 -0.01651 0.23617 -0.09781 -0.06149 142 6PX -0.06475 -0.06679 0.00374 -0.04267 0.07610 143 6PY 0.22794 0.02771 -0.00674 -0.02215 0.06132 144 6PZ 0.01545 -0.01479 0.03997 0.06869 0.05250 145 7D 0 -0.12274 0.09703 -0.18061 0.08539 0.12216 146 7D+1 0.15917 -0.04139 -0.16978 0.11971 -0.02946 147 7D-1 0.06654 0.00831 0.01315 -0.01999 -0.06603 148 7D+2 0.02708 0.14214 0.07799 -0.08321 0.08174 149 7D-2 0.06266 0.13068 0.00419 -0.01007 -0.04265 150 8D 0 0.25412 -0.21224 0.37915 -0.18347 -0.25202 151 8D+1 -0.34585 0.09816 0.35762 -0.25665 0.05834 152 8D-1 -0.14708 -0.01918 -0.04573 0.04907 0.12429 153 8D+2 -0.07735 -0.29282 -0.16781 0.17598 -0.15616 154 8D-2 -0.15471 -0.27558 -0.00292 0.02375 0.06129 155 8 Cu 1S -0.03166 -0.01296 0.02368 -0.05876 0.02259 156 2S -0.13978 -0.03223 0.06540 -0.11431 0.04226 157 3S -1.38910 0.07774 -0.02399 0.98386 -0.40962 158 4PX 0.00049 -0.00657 -0.00091 -0.02114 -0.00326 159 4PY -0.00753 0.00076 -0.01288 -0.00151 -0.00677 160 4PZ 0.00261 -0.00872 -0.00088 0.00270 -0.02198 161 5PX -0.62591 0.12106 0.00948 0.24064 -0.06252 162 5PY 0.44291 -0.03934 0.31710 0.03744 -0.01128 163 5PZ 0.18014 0.18916 -0.03804 -0.13514 0.12815 164 6PX -0.16082 0.05135 0.00438 0.18047 -0.11102 165 6PY -0.24716 0.03415 -0.00450 0.05498 -0.04807 166 6PZ 0.18678 0.04734 0.02508 -0.16502 0.00698 167 7D 0 -0.08554 0.08764 -0.05543 0.08250 0.12669 168 7D+1 0.02047 0.05875 -0.05479 0.15687 -0.02732 169 7D-1 -0.00486 -0.04618 -0.10063 -0.02716 -0.13663 170 7D+2 -0.07372 0.04784 -0.02842 -0.07879 0.10428 171 7D-2 -0.14077 -0.02004 -0.09913 -0.04389 -0.09302 172 8D 0 0.20284 -0.16318 0.10932 -0.16087 -0.23489 173 8D+1 -0.00005 -0.11250 0.10503 -0.32527 0.04216 174 8D-1 0.00846 0.08422 0.18746 0.05417 0.28528 175 8D+2 0.12539 -0.08653 0.04881 0.15045 -0.22188 176 8D-2 0.32336 0.03261 0.19311 0.08732 0.18057 177 9 C 1S 0.00270 -0.00005 -0.00019 0.00005 0.00016 178 2S -0.85653 0.00294 -0.00267 0.00036 -0.00450 179 3S 2.61090 -0.00630 0.01135 0.00182 0.00910 180 4PX -0.04688 -0.02281 0.01193 -0.01046 0.01954 181 4PY 0.08779 -0.01417 0.01038 -0.00630 0.01084 182 4PZ -0.00856 -0.01912 -0.02365 0.02563 0.01813 183 5PX -0.40340 0.06463 -0.04486 -0.01020 0.01180 184 5PY 0.81302 0.03821 -0.01551 -0.00303 0.01003 185 5PZ -0.11136 0.05483 0.07415 0.00511 0.00192 186 10 O 1S -0.00053 -0.00005 0.00017 0.00006 -0.00004 187 2S -0.07282 0.00085 -0.00342 0.00063 0.00027 188 3S 0.05663 -0.00061 0.00481 -0.00278 -0.00064 189 4PX -0.03298 0.00855 -0.00539 0.00042 -0.00068 190 4PY 0.08334 0.00465 0.00135 -0.00124 -0.00016 191 4PZ -0.01749 0.00839 0.00826 -0.00145 -0.00142 192 5PX 0.02666 -0.02002 0.01142 0.00796 -0.00930 193 5PY -0.08441 -0.01211 0.00327 0.00076 -0.00600 194 5PZ 0.02585 -0.01951 -0.02248 -0.00818 -0.00519 171 172 173 174 175 V V V V V EIGENVALUES -- 1.08670 1.17078 1.17960 1.17974 1.23148 1 1 Cu 1S -0.00592 0.01659 -0.02283 0.01267 0.03598 2 2S -0.04749 0.07970 -0.17440 0.08973 0.09025 3 3S -0.61301 0.37700 -1.29173 0.64549 -0.00563 4 4PX -0.01860 0.01426 0.00112 0.00748 -0.00661 5 4PY 0.00574 -0.00913 -0.01070 0.00803 0.01360 6 4PZ -0.00753 0.00514 -0.00943 -0.01256 0.00902 7 5PX 0.17768 0.70344 1.19245 0.09282 -0.02013 8 5PY 0.18133 -1.04953 0.34671 0.03239 -0.18594 9 5PZ 0.11063 0.17294 -0.11569 -1.44116 -0.05199 10 6PX 0.14722 0.54815 0.65877 0.08389 -0.08829 11 6PY 0.00611 -0.79829 0.23448 0.02204 0.11166 12 6PZ 0.07202 0.13432 -0.10045 -0.85638 0.10021 13 7D 0 0.07995 -0.03374 -0.04899 -0.07114 0.06059 14 7D+1 -0.03872 0.11035 0.04526 -0.04870 -0.06056 15 7D-1 0.02785 -0.02193 -0.07561 -0.18509 -0.03410 16 7D+2 0.03506 0.15215 0.06418 -0.03880 0.14763 17 7D-2 0.11957 -0.03690 0.06971 0.07743 0.03695 18 8D 0 -0.15273 0.12975 0.14361 0.16833 -0.15936 19 8D+1 0.08720 -0.32462 -0.16714 0.11533 0.15864 20 8D-1 -0.06130 0.06579 0.20633 0.55791 0.07738 21 8D+2 -0.04141 -0.40648 -0.17010 0.13108 -0.36870 22 8D-2 -0.23724 0.14182 -0.22870 -0.20866 -0.09498 23 2 Cu 1S 0.00986 0.09509 0.15747 0.10756 -0.01280 24 2S 0.02235 0.13527 0.16629 0.11366 -0.00702 25 3S -0.08253 -1.73610 -3.67931 -2.51400 0.14365 26 4PX -0.00532 -0.01474 -0.03432 -0.01922 0.00327 27 4PY -0.01000 0.00518 -0.01183 -0.00530 -0.01945 28 4PZ 0.00702 0.00649 0.01975 0.02070 0.00581 29 5PX 0.10688 0.59057 1.32964 0.74848 -0.06657 30 5PY 0.18631 -0.19629 0.11658 -0.03385 0.13544 31 5PZ -0.13558 -0.25986 -0.62885 -0.70317 -0.01422 32 6PX -0.05520 0.00506 0.25226 0.34036 -0.06609 33 6PY 0.02176 0.44453 -0.19585 -0.01616 0.01941 34 6PZ 0.02448 -0.18403 -0.26841 0.10446 0.02783 35 7D 0 0.07961 -0.03402 -0.06398 0.03482 -0.00549 36 7D+1 -0.08103 -0.06824 -0.17291 -0.16273 -0.03341 37 7D-1 -0.03559 0.03687 -0.03261 -0.01256 -0.07093 38 7D+2 0.09006 0.08130 0.15981 0.07141 -0.03646 39 7D-2 0.18493 -0.06525 0.04353 -0.00508 0.05388 40 8D 0 -0.18072 0.07314 0.16445 -0.08103 0.00888 41 8D+1 0.17513 0.16958 0.43904 0.42735 0.06906 42 8D-1 0.07450 -0.10962 0.08744 0.01063 0.15983 43 8D+2 -0.20168 -0.22609 -0.42373 -0.17615 0.08540 44 8D-2 -0.41202 0.15692 -0.09479 0.01397 -0.12560 45 3 Cu 1S -0.00671 0.01715 0.00288 -0.02484 0.03262 46 2S -0.04883 0.08139 0.01840 -0.19246 0.08172 47 3S -0.59967 0.38076 0.13255 -1.44043 -0.00602 48 4PX -0.00631 0.00659 0.01480 0.00632 -0.01466 49 4PY 0.01476 -0.01432 0.00869 -0.00714 0.00673 50 4PZ 0.01336 -0.00783 -0.00259 0.00959 -0.00468 51 5PX -0.04154 0.59122 1.30009 0.17695 0.08165 52 5PY 0.02259 -1.14053 0.70379 -0.32577 -0.10108 53 5PZ -0.26738 -0.02919 -0.03346 -1.13633 0.12260 54 6PX 0.02746 0.45079 0.78883 0.08523 -0.16007 55 6PY -0.08205 -0.86855 0.43507 -0.13465 0.05116 56 6PZ -0.13833 -0.03470 -0.02735 -0.63701 -0.02310 57 7D 0 0.05735 0.06632 0.02150 0.07835 0.00759 58 7D+1 0.00484 -0.07014 -0.15048 -0.03221 -0.10342 59 7D-1 -0.01991 0.16517 -0.09880 0.05925 0.06084 60 7D+2 0.08443 -0.03874 -0.13566 -0.01403 0.07950 61 7D-2 0.11861 -0.03081 0.07498 0.00921 0.08225 62 8D 0 -0.10557 -0.17009 -0.05255 -0.26902 -0.01727 63 8D+1 -0.02224 0.19378 0.39968 0.07641 0.25376 64 8D-1 0.06502 -0.46302 0.27001 -0.16187 -0.15015 65 8D+2 -0.16612 0.13966 0.42508 0.04643 -0.21016 66 8D-2 -0.22780 0.13279 -0.24317 -0.02161 -0.20886 67 4 Cu 1S 0.01904 -0.27956 -0.00208 -0.00195 0.00433 68 2S 0.01635 -0.38600 -0.00339 -0.00433 0.00921 69 3S 0.95139 5.36696 0.01359 -0.00141 -0.03762 70 4PX -0.00806 -0.02477 -0.00425 -0.00012 0.01294 71 4PY 0.01516 0.04605 -0.00211 0.00022 0.00594 72 4PZ -0.00159 -0.00451 0.00011 0.00463 -0.00941 73 5PX 0.14434 0.90197 0.21825 0.00471 -0.09931 74 5PY -0.26264 -1.68178 0.11089 -0.01718 -0.04388 75 5PZ 0.02453 0.16080 -0.00191 -0.24753 0.07034 76 6PX 0.04693 0.21015 -0.30372 -0.00888 -0.01294 77 6PY -0.08883 -0.38216 -0.16826 0.02398 0.00256 78 6PZ 0.00749 0.03548 0.00590 0.34571 0.00755 79 7D 0 0.06281 0.16458 0.00230 0.00470 0.00800 80 7D+1 -0.00846 -0.02309 -0.01039 0.03266 0.02921 81 7D-1 0.01783 0.04334 -0.00627 -0.06393 0.07672 82 7D+2 0.06088 0.16027 -0.05883 0.00591 0.05513 83 7D-2 0.09235 0.24137 0.03933 0.00710 -0.05323 84 8D 0 -0.12453 -0.41765 -0.01201 0.01128 -0.01660 85 8D+1 0.01690 0.05818 0.05153 -0.08077 -0.06131 86 8D-1 -0.03528 -0.10980 0.02854 0.17330 -0.17523 87 8D+2 -0.12038 -0.40712 0.15427 -0.02381 -0.13042 88 8D-2 -0.18342 -0.61258 -0.09848 -0.02956 0.12337 89 5 Cu 1S 0.00439 0.09526 0.01574 -0.18979 0.00729 90 2S 0.00680 0.13403 0.01725 -0.19884 0.00678 91 3S -0.05253 -1.77515 -0.35676 4.42691 -0.05298 92 4PX 0.00302 -0.00565 -0.00653 0.00400 -0.01314 93 4PY -0.00768 0.00801 -0.00349 0.00105 0.00509 94 4PZ -0.01053 -0.01414 -0.00331 0.04959 0.00451 95 5PX -0.05100 0.22786 0.26628 -0.31693 0.12713 96 5PY 0.13094 -0.32310 0.10169 0.32339 -0.03252 97 5PZ 0.21040 0.56682 0.10906 -1.71670 -0.02206 98 6PX -0.02189 -0.17889 -0.23771 -0.18266 -0.07020 99 6PY 0.01874 0.38444 -0.15804 0.23107 -0.05554 100 6PZ -0.05353 0.22912 0.05669 -0.34598 0.04079 101 7D 0 0.17061 0.05829 0.00735 -0.27771 -0.03321 102 7D+1 -0.02732 0.06593 0.07875 -0.07761 0.04328 103 7D-1 0.07667 -0.09988 0.03423 0.06507 -0.02775 104 7D+2 0.06907 -0.00793 0.01626 0.01025 0.04954 105 7D-2 0.11017 -0.03145 -0.00487 0.02675 -0.01723 106 8D 0 -0.37737 -0.15315 -0.01874 0.70945 0.07570 107 8D+1 0.06024 -0.17198 -0.20016 0.20787 -0.10751 108 8D-1 -0.16782 0.26581 -0.08772 -0.18492 0.06089 109 8D+2 -0.15776 0.00425 -0.06465 -0.02878 -0.12177 110 8D-2 -0.25031 0.05812 0.02857 -0.07131 0.04780 111 6 Cu 1S 0.04627 -0.02045 -0.00530 -0.00540 0.00175 112 2S 0.25570 -0.18921 -0.01466 -0.01471 0.00211 113 3S 0.52854 -1.23704 0.00281 0.01247 -0.00923 114 4PX 0.00832 -0.01379 0.02486 0.00035 0.01447 115 4PY -0.01477 0.02510 0.01445 -0.00120 0.00483 116 4PZ 0.00107 -0.00212 -0.00057 -0.02870 -0.00977 117 5PX -0.76216 0.37354 0.86206 0.04428 -0.22804 118 5PY 1.43687 -0.69879 0.40853 -0.11599 -0.10549 119 5PZ -0.14637 0.06251 -0.00449 -0.93817 0.16458 120 6PX 0.05421 0.38050 0.36842 0.00944 0.28720 121 6PY -0.06761 -0.72373 0.21233 -0.01958 0.13187 122 6PZ -0.00895 0.07297 -0.01172 -0.42425 -0.20854 123 7D 0 0.09740 -0.02547 -0.02389 0.05957 0.07382 124 7D+1 -0.01640 0.00277 0.10383 -0.06415 0.19315 125 7D-1 0.02402 -0.00740 0.05655 0.17532 -0.06975 126 7D+2 0.09779 -0.02617 0.14988 -0.04078 -0.21470 127 7D-2 0.15068 -0.03715 -0.08510 -0.05496 0.13507 128 8D 0 -0.16606 0.09245 0.07592 -0.20200 -0.19644 129 8D+1 0.02728 -0.01108 -0.32992 0.17898 -0.51191 130 8D-1 -0.03773 0.02704 -0.17880 -0.51300 0.17029 131 8D+2 -0.16502 0.09436 -0.43352 0.12719 0.55385 132 8D-2 -0.26072 0.13495 0.23923 0.17139 -0.34798 133 7 Cu 1S 0.00531 0.09552 -0.17089 0.08327 0.00829 134 2S 0.01045 0.13355 -0.17860 0.08785 0.00796 135 3S -0.05608 -1.79034 3.99466 -1.93696 -0.06126 136 4PX 0.01232 0.00539 -0.03389 0.01330 -0.01289 137 4PY -0.00106 0.01590 -0.02516 0.01088 0.00625 138 4PZ 0.00523 0.00478 -0.01564 0.01484 0.00553 139 5PX -0.23147 -0.21711 0.99259 -0.35257 0.09748 140 5PY 0.00441 -0.63536 1.16791 -0.52304 -0.05814 141 5PZ -0.09818 -0.18768 0.48450 -0.50668 -0.07052 142 6PX 0.01943 -0.39778 0.03853 -0.14887 -0.05077 143 6PY 0.05248 0.22970 0.37155 -0.22950 -0.04745 144 6PZ 0.02406 -0.14612 0.21042 0.18683 0.06783 145 7D 0 0.05042 -0.04727 0.11043 0.00429 0.02297 146 7D+1 0.05477 0.00793 -0.10374 0.08801 -0.04140 147 7D-1 0.04220 0.05675 -0.09873 0.10011 0.05055 148 7D+2 0.14538 -0.09552 0.01357 -0.02374 -0.03968 149 7D-2 0.15921 0.06536 -0.20176 0.06205 -0.01896 150 8D 0 -0.11754 0.10373 -0.28426 -0.00336 -0.05279 151 8D+1 -0.11656 -0.00722 0.26683 -0.21119 0.09364 152 8D-1 -0.09358 -0.14865 0.24778 -0.27725 -0.12906 153 8D+2 -0.32245 0.24459 -0.05453 0.06015 0.09159 154 8D-2 -0.35603 -0.18729 0.52282 -0.15404 0.04807 155 8 Cu 1S -0.00671 0.01731 0.02365 0.01694 -0.07491 156 2S -0.04967 0.08170 0.16692 0.11647 -0.18821 157 3S -0.59431 0.38367 1.19393 0.81714 0.03462 158 4PX 0.00505 0.00013 -0.00504 -0.01345 0.02146 159 4PY 0.01715 -0.01652 0.00805 -0.00135 -0.02173 160 4PZ -0.00978 0.00655 0.01158 -0.00895 -0.00402 161 5PX -0.23289 0.49938 1.01502 -0.15307 -0.33259 162 5PY -0.02625 -1.16887 0.78513 -0.05709 0.19087 163 5PZ 0.14775 0.18932 0.11295 -1.38841 0.11850 164 6PX -0.07006 0.36718 0.59649 -0.11531 0.16230 165 6PY -0.10683 -0.88573 0.42887 -0.07238 -0.19418 166 6PZ 0.08777 0.14821 0.10788 -0.82357 -0.02200 167 7D 0 0.06894 -0.00506 0.06101 -0.09781 -0.17399 168 7D+1 -0.00748 -0.04506 -0.03114 0.13584 -0.11869 169 7D-1 0.05342 -0.13388 0.10217 -0.05244 0.01401 170 7D+2 0.09684 -0.08697 -0.07174 0.10644 0.02421 171 7D-2 0.07674 0.10574 -0.06700 -0.01416 -0.26670 172 8D 0 -0.12828 0.04532 -0.15983 0.24595 0.44440 173 8D+1 0.01546 0.13331 0.05966 -0.41529 0.30363 174 8D-1 -0.12174 0.39259 -0.31789 0.17301 -0.02100 175 8D+2 -0.20181 0.27156 0.23413 -0.30084 -0.04856 176 8D-2 -0.12668 -0.26083 0.18076 0.06637 0.66977 177 9 C 1S 0.01775 -0.00175 0.00095 0.00075 -0.00100 178 2S -0.68783 -0.13245 0.01250 0.01191 0.01223 179 3S 1.59356 0.03083 -0.02018 -0.01989 -0.02700 180 4PX 0.11742 -0.03868 0.00467 0.00398 -0.06826 181 4PY -0.23641 0.07780 -0.00662 -0.00626 -0.02336 182 4PZ 0.02993 -0.00996 0.00014 0.00065 0.04699 183 5PX -0.26645 -0.08261 0.29878 0.01794 -0.07385 184 5PY 0.51454 0.15019 0.14039 -0.03684 -0.04638 185 5PZ -0.05980 -0.01332 -0.00536 -0.32547 0.05967 186 10 O 1S 0.00166 -0.00531 -0.00094 -0.00072 0.00102 187 2S -0.00628 0.00294 0.01588 0.01273 -0.01275 188 3S -0.13804 0.10582 -0.02163 -0.01751 0.01519 189 4PX 0.00498 -0.00330 0.08673 0.00538 -0.01526 190 4PY -0.00953 0.01213 0.04528 -0.00732 -0.00980 191 4PZ 0.00063 -0.00365 -0.00375 -0.09473 0.01246 192 5PX 0.06582 -0.04557 -0.24986 -0.01106 0.07906 193 5PY -0.12990 0.08617 -0.13975 0.01452 0.04234 194 5PZ 0.01619 -0.00766 0.01068 0.27912 -0.06083 176 177 178 179 180 V V V V V EIGENVALUES -- 1.23322 1.28210 1.31034 1.31070 1.31675 1 1 Cu 1S -0.06205 -0.00055 -0.02827 -0.03793 0.00823 2 2S -0.15619 -0.00176 -0.08833 -0.12057 0.04991 3 3S 0.02366 -0.00795 -0.53206 -0.76815 1.35533 4 4PX 0.00240 0.00447 -0.03620 -0.01924 -0.00502 5 4PY -0.02615 0.00107 -0.00133 0.00969 0.04281 6 4PZ 0.00320 -0.00989 0.02440 -0.03660 0.00994 7 5PX 0.04111 0.01666 0.77969 0.49537 -0.09040 8 5PY 0.33127 0.01525 0.13682 -0.03096 -1.15165 9 5PZ 0.06583 -0.03853 -0.41032 0.78023 -0.47995 10 6PX 0.03751 -0.01306 -0.49604 -0.14813 -0.40964 11 6PY -0.22408 -0.01106 0.09284 0.33795 0.48230 12 6PZ 0.05469 0.04330 0.51089 -0.51940 -0.04720 13 7D 0 -0.19441 0.17609 -0.01667 -0.07299 -0.05470 14 7D+1 0.01683 0.18795 0.13576 0.04594 -0.01387 15 7D-1 0.05788 -0.03541 -0.10135 0.13418 -0.14894 16 7D+2 -0.20220 -0.11061 -0.02216 0.08701 0.08251 17 7D-2 -0.04255 -0.02403 0.09179 0.02192 -0.26204 18 8D 0 0.49734 -0.47654 0.02878 0.24262 0.16697 19 8D+1 -0.05252 -0.51371 -0.41775 -0.11137 0.04550 20 8D-1 -0.14866 0.11193 0.29374 -0.38646 0.42662 21 8D+2 0.50248 0.30399 0.09130 -0.24408 -0.21587 22 8D-2 0.11792 0.05866 -0.24734 -0.05276 0.75260 23 2 Cu 1S 0.00064 0.00017 -0.00430 0.00584 -0.00159 24 2S 0.00185 0.00023 -0.00294 -0.00068 -0.00083 25 3S 0.00506 -0.00168 -0.00285 0.00633 0.01896 26 4PX 0.00532 0.00948 0.00449 0.00125 -0.00892 27 4PY 0.00342 0.00669 0.00499 -0.00272 -0.00707 28 4PZ 0.00895 0.01638 0.00643 0.00528 -0.01641 29 5PX -0.05614 -0.15641 -0.21568 -0.33777 -0.07221 30 5PY -0.03500 -0.10731 -0.58250 0.70648 -0.02747 31 5PZ -0.08961 -0.26973 -0.43496 -0.44614 -0.10227 32 6PX 0.04728 0.07707 0.19587 0.23273 0.04716 33 6PY 0.03441 0.05149 0.43730 -0.49584 0.02082 34 6PZ 0.08412 0.13220 0.35900 0.35345 0.08376 35 7D 0 0.01886 0.07958 0.11614 0.06035 -0.04560 36 7D+1 -0.03457 -0.08894 -0.08164 -0.08003 0.02443 37 7D-1 0.03391 0.07011 0.12175 -0.11912 -0.00815 38 7D+2 -0.03687 -0.08862 -0.04742 -0.13741 0.02108 39 7D-2 0.00155 -0.01674 -0.10098 0.11407 0.02502 40 8D 0 -0.04850 -0.21576 -0.33793 -0.18708 0.08793 41 8D+1 0.08750 0.23489 0.24140 0.23165 -0.04719 42 8D-1 -0.08609 -0.18107 -0.35771 0.35142 0.01946 43 8D+2 0.09338 0.23310 0.13985 0.40254 -0.04155 44 8D-2 -0.00359 0.04780 0.30372 -0.34991 -0.05212 45 3 Cu 1S 0.06244 0.00039 0.04663 -0.00372 -0.00823 46 2S 0.15654 0.00112 0.14916 -0.01292 -0.04583 47 3S -0.03008 0.00075 0.96069 -0.10506 -1.17522 48 4PX -0.00753 -0.00960 0.01443 0.03827 0.02354 49 4PY 0.02311 -0.00472 -0.02259 0.02380 -0.02456 50 4PZ -0.01119 0.00097 -0.03016 -0.00117 0.01963 51 5PX 0.13000 -0.03650 -0.23277 -0.72363 -0.72941 52 5PY -0.20973 -0.02673 0.37171 -0.44737 0.45959 53 5PZ 0.23436 0.00395 0.83479 -0.00789 -0.73189 54 6PX -0.05438 0.04190 0.30976 0.63933 0.33545 55 6PY 0.22057 0.02933 -0.39443 0.40592 -0.44955 56 6PZ -0.07560 -0.00260 -0.17671 -0.05312 -0.06303 57 7D 0 -0.00712 0.03526 -0.15690 0.01293 0.17322 58 7D+1 -0.07858 -0.20454 -0.00478 -0.00063 0.14806 59 7D-1 0.16795 -0.08869 -0.04292 0.02808 -0.10701 60 7D+2 0.09911 0.13210 0.04522 0.16303 0.08323 61 7D-2 0.20550 -0.11262 0.02090 -0.11434 0.09747 62 8D 0 0.01996 -0.09468 0.43654 -0.04334 -0.50071 63 8D+1 0.19632 0.54978 0.02335 0.04189 -0.42253 64 8D-1 -0.41064 0.23632 0.11377 -0.06037 0.28837 65 8D+2 -0.25441 -0.37257 -0.14491 -0.48792 -0.24505 66 8D-2 -0.52993 0.31451 -0.07986 0.34991 -0.28804 67 4 Cu 1S 0.00112 0.00001 0.00039 -0.00091 0.00132 68 2S 0.00249 0.00002 0.00133 -0.00191 0.00330 69 3S -0.00364 -0.00013 -0.01790 0.01933 0.00008 70 4PX -0.00779 0.00002 0.00124 0.00830 -0.01463 71 4PY -0.00552 -0.00001 0.00158 0.00435 -0.00949 72 4PZ -0.01401 -0.00016 0.00966 -0.00175 -0.01947 73 5PX 0.05932 -0.00165 0.04283 0.35453 0.43663 74 5PY 0.04063 -0.00087 0.05983 0.18084 0.28670 75 5PZ 0.10412 -0.00043 0.37379 -0.08124 0.58989 76 6PX 0.00657 0.00175 -0.03562 -0.27353 -0.34175 77 6PY 0.00657 0.00110 -0.04344 -0.14518 -0.22736 78 6PZ 0.01511 0.00154 -0.29141 0.06309 -0.46336 79 7D 0 0.03586 -0.00014 0.00687 0.00232 0.03834 80 7D+1 -0.05903 -0.00024 -0.01939 -0.01405 -0.16546 81 7D-1 0.06151 0.00049 0.03809 -0.01973 0.18313 82 7D+2 -0.06186 0.00051 -0.01159 -0.03936 -0.20439 83 7D-2 0.00004 -0.00037 -0.00517 0.02630 0.06137 84 8D 0 -0.07710 0.00049 -0.00666 -0.00702 -0.11006 85 8D+1 0.13530 0.00037 0.07344 0.03196 0.46161 86 8D-1 -0.14439 -0.00107 -0.13995 0.06034 -0.50802 87 8D+2 0.14252 -0.00156 0.03801 0.14376 0.56841 88 8D-2 -0.00386 0.00095 0.01003 -0.09701 -0.16808 89 5 Cu 1S 0.01122 -0.00007 -0.00064 0.00140 -0.01509 90 2S 0.00624 -0.00059 -0.01709 0.00447 -0.01441 91 3S -0.12011 -0.00467 0.01790 0.00322 0.13476 92 4PX -0.00326 -0.01755 0.00224 0.00856 -0.00882 93 4PY 0.01869 -0.00910 -0.00244 0.00449 -0.00917 94 4PZ 0.00523 0.00169 -0.00350 -0.00047 0.00326 95 5PX 0.01685 0.29041 -0.45431 -0.59474 -0.16442 96 5PY -0.15555 0.15347 0.77253 -0.40834 0.12091 97 5PZ 0.00348 -0.02651 0.20673 0.04316 -0.01392 98 6PX 0.06687 -0.14198 0.33680 0.48201 0.11573 99 6PY -0.00381 -0.07663 -0.56667 0.31906 -0.07086 100 6PZ 0.05268 0.01444 -0.17273 -0.03593 -0.05470 101 7D 0 -0.04250 -0.01870 0.07696 0.02230 0.02551 102 7D+1 0.01536 0.10402 -0.10474 -0.15104 0.01306 103 7D-1 -0.08705 0.06534 0.19497 -0.11168 0.05861 104 7D+2 -0.00487 0.09474 -0.04349 -0.08588 0.00356 105 7D-2 0.02719 -0.05149 -0.01432 0.04310 0.00398 106 8D 0 0.09216 0.05014 -0.22920 -0.06559 -0.07517 107 8D+1 -0.03374 -0.28014 0.31369 0.44456 -0.00727 108 8D-1 0.20509 -0.17526 -0.58365 0.33050 -0.15076 109 8D+2 0.01966 -0.24614 0.11911 0.25308 -0.00551 110 8D-2 -0.06102 0.13282 0.02885 -0.12473 -0.01468 111 6 Cu 1S 0.00018 -0.00002 0.00256 -0.00298 0.00009 112 2S 0.00010 -0.00007 0.00595 -0.00752 -0.00046 113 3S 0.00506 0.00006 -0.01968 0.01638 -0.01274 114 4PX -0.00805 -0.00026 -0.00658 -0.04804 -0.00850 115 4PY -0.00619 -0.00015 -0.00930 -0.02461 -0.00562 116 4PZ -0.01472 -0.00018 -0.05379 0.01031 -0.01219 117 5PX 0.13679 0.01025 0.19328 1.28859 -0.10972 118 5PY 0.10576 0.00601 0.23041 0.68065 -0.08191 119 5PZ 0.24995 0.00601 1.46407 -0.27710 -0.13462 120 6PX -0.17771 -0.00577 -0.11942 -0.70633 -0.01119 121 6PY -0.12745 -0.00338 -0.14751 -0.36439 -0.01032 122 6PZ -0.32001 -0.00321 -0.82489 0.13339 -0.02680 123 7D 0 0.17265 0.00056 -0.12625 -0.01974 -0.05794 124 7D+1 0.07241 0.00135 0.06995 0.15077 0.01714 125 7D-1 -0.21594 -0.00145 -0.15156 0.11024 0.02784 126 7D+2 0.10651 0.00196 0.08393 0.11345 -0.00371 127 7D-2 -0.13958 -0.00131 0.07085 -0.07479 0.03883 128 8D 0 -0.46048 -0.00154 0.37092 0.05731 0.18975 129 8D+1 -0.18103 -0.00366 -0.19970 -0.44320 -0.04459 130 8D-1 0.55847 0.00399 0.43507 -0.32141 -0.10736 131 8D+2 -0.27069 -0.00554 -0.24389 -0.32371 0.02714 132 8D-2 0.36722 0.00371 -0.20782 0.21308 -0.13330 133 7 Cu 1S -0.00969 -0.00004 -0.00419 -0.00108 0.01744 134 2S -0.00337 0.00050 -0.00036 0.00913 0.01666 135 3S 0.12096 0.00638 -0.02001 -0.01767 -0.15400 136 4PX 0.01074 0.00816 -0.00592 -0.00088 0.00272 137 4PY -0.01233 0.00245 0.00009 0.00161 0.00627 138 4PZ 0.00954 -0.01812 0.00657 -0.00637 -0.00694 139 5PX -0.04463 -0.13084 0.60241 0.34205 0.11960 140 5PY 0.12434 -0.04381 -0.31497 -0.58436 -0.17547 141 5PZ -0.07105 0.30208 -0.40281 0.52819 -0.04936 142 6PX -0.00261 0.06439 -0.47049 -0.25220 -0.13270 143 6PY 0.05297 0.02459 0.21439 0.41388 0.06916 144 6PZ 0.06878 -0.14900 0.32355 -0.41803 0.01640 145 7D 0 -0.01145 -0.06013 0.09588 -0.03980 -0.01046 146 7D+1 0.05341 -0.01615 -0.03235 -0.12992 -0.04280 147 7D-1 0.02586 -0.13744 0.14441 -0.06243 -0.00925 148 7D+2 0.07320 -0.00693 -0.12743 -0.15230 -0.04718 149 7D-2 -0.02167 0.06849 -0.04408 0.08255 -0.00181 150 8D 0 0.01885 0.16342 -0.27558 0.12679 0.01885 151 8D+1 -0.11811 0.04832 0.09418 0.38170 0.10895 152 8D-1 -0.06418 0.36147 -0.42397 0.18159 0.01194 153 8D+2 -0.17158 0.01574 0.38337 0.46040 0.13858 154 8D-2 0.05503 -0.18150 0.13280 -0.23751 0.01318 155 8 Cu 1S -0.00189 0.00015 -0.02017 0.04477 -0.00114 156 2S -0.00504 0.00062 -0.06302 0.14021 -0.00648 157 3S -0.00175 0.00722 -0.37416 0.83461 -0.16647 158 4PX 0.00562 0.00501 0.02433 -0.00208 0.01116 159 4PY 0.00290 0.00360 0.02697 -0.02418 0.00175 160 4PZ 0.00838 0.00900 0.02453 0.03412 0.01094 161 5PX -0.01852 0.02548 -0.54355 0.23764 -0.45349 162 5PY 0.00189 0.01452 -0.51845 0.48138 -0.17156 163 5PZ -0.00835 0.03393 -0.38943 -0.77905 -0.51295 164 6PX 0.06867 -0.02062 0.30076 0.21986 0.14007 165 6PY 0.04003 -0.01326 0.44223 -0.37571 0.01250 166 6PZ 0.10904 -0.03541 0.48622 0.43138 0.21085 167 7D 0 -0.05722 -0.21223 0.01817 0.03713 -0.08871 168 7D+1 0.00581 0.01570 0.01656 0.15786 0.02935 169 7D-1 0.02379 0.12705 -0.16070 0.01987 0.00984 170 7D+2 0.00178 -0.02345 0.10591 0.01594 0.06866 171 7D-2 0.02491 0.13794 -0.02812 -0.07471 0.04846 172 8D 0 0.14116 0.57360 -0.08409 -0.13749 0.26293 173 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0.03108 0.05297 0.04204 0.14308 -0.08921 38 7D+2 0.01088 -0.07295 -0.09635 0.07243 -0.05864 39 7D-2 -0.03854 -0.01686 -0.00464 -0.12832 0.10872 40 8D 0 0.03306 -0.24228 -0.26108 -0.02160 -0.05530 41 8D+1 -0.05704 0.25326 0.27603 -0.09027 0.03578 42 8D-1 -0.08571 -0.18553 -0.12447 -0.44175 0.24309 43 8D+2 -0.02908 0.25141 0.28854 -0.22960 0.16027 44 8D-2 0.11265 0.05571 0.01253 0.38460 -0.28703 45 3 Cu 1S -0.00503 -0.00126 -0.03157 0.01037 0.03025 46 2S -0.03135 -0.00382 -0.08139 0.02645 0.07844 47 3S -0.87541 -0.04148 0.18079 -0.06027 -0.19249 48 4PX 0.00254 0.03250 0.01663 -0.00767 -0.00353 49 4PY -0.02616 0.01650 -0.03495 0.01265 0.00266 50 4PZ 0.01544 -0.00233 -0.01568 0.00723 -0.01232 51 5PX 0.17035 -1.44439 -0.46813 0.64228 0.15785 52 5PY 0.72765 -0.74242 1.37793 -0.29869 -0.24766 53 5PZ -0.60171 0.11647 0.66644 -0.32463 0.17580 54 6PX 0.03448 1.56722 0.49423 -0.51859 -0.04108 55 6PY -0.46391 0.81587 -1.29893 0.34988 -0.01201 56 6PZ -0.03566 -0.15688 -0.47005 0.23090 -0.21237 57 7D 0 0.14619 -0.03001 -0.19697 0.09344 -0.06498 58 7D+1 -0.01618 0.20255 0.03276 -0.07214 -0.06916 59 7D-1 -0.14502 0.11972 -0.19808 0.04161 0.08508 60 7D+2 0.05449 0.15861 0.06279 -0.03574 0.05597 61 7D-2 0.06771 -0.07796 0.06261 -0.03083 0.10308 62 8D 0 -0.42497 0.09154 0.58338 -0.28048 0.17539 63 8D+1 0.06117 -0.61187 -0.08336 0.23453 0.19355 64 8D-1 0.41048 -0.35910 0.57906 -0.10909 -0.23688 65 8D+2 -0.15708 -0.44974 -0.17657 0.09675 -0.16843 66 8D-2 -0.20122 0.21639 -0.16847 0.09036 -0.30502 67 4 Cu 1S -0.00362 -0.00004 0.00031 0.00852 -0.06490 68 2S -0.00766 -0.00007 0.00161 0.01813 -0.12268 69 3S 0.03111 0.00102 0.03227 -0.06676 1.05660 70 4PX 0.01788 0.00002 0.00442 0.01060 -0.00263 71 4PY 0.00790 -0.00005 0.00395 0.00519 0.00512 72 4PZ -0.01709 -0.00073 0.01157 -0.00618 -0.00074 73 5PX -0.54267 -0.00151 0.22289 0.45623 0.10881 74 5PY -0.24087 0.00039 0.15830 0.22026 -0.13898 75 5PZ 0.52760 0.01438 0.52202 -0.25428 -0.01326 76 6PX 0.43210 0.00138 -0.22012 -0.47901 0.06404 77 6PY 0.18306 -0.00056 -0.17444 -0.21638 -0.18533 78 6PZ -0.41604 -0.01120 -0.53308 0.26349 0.04693 79 7D 0 0.00487 0.00065 0.03714 -0.00296 0.00047 80 7D+1 -0.00743 -0.00270 -0.05798 -0.03625 -0.00046 81 7D-1 0.23445 0.00664 0.07294 -0.06623 -0.00793 82 7D+2 0.16844 -0.00053 -0.05763 -0.05966 -0.00460 83 7D-2 -0.15868 -0.00155 -0.00458 0.05174 0.00672 84 8D 0 -0.01550 -0.00216 -0.11480 0.00751 0.00075 85 8D+1 0.01680 0.00719 0.20264 0.11177 0.00153 86 8D-1 -0.65479 -0.01827 -0.26203 0.23072 0.02650 87 8D+2 -0.46715 0.00154 0.20027 0.21902 0.01621 88 8D-2 0.44187 0.00444 0.00915 -0.18590 -0.01888 89 5 Cu 1S -0.01007 -0.00093 -0.00289 0.00250 0.08762 90 2S -0.00893 -0.00250 -0.00023 0.00472 0.16776 91 3S 0.08705 -0.00863 0.02199 0.01526 -0.40543 92 4PX 0.01617 0.00883 0.00152 0.00541 0.01021 93 4PY 0.00447 0.00472 0.00194 0.00331 -0.02208 94 4PZ -0.00018 -0.00105 0.00027 0.00010 -0.00863 95 5PX 0.01945 0.56799 0.12724 -0.49410 -0.20651 96 5PY 0.16461 0.29005 -0.64098 0.02176 0.38997 97 5PZ -0.01976 -0.05273 -0.08870 0.06137 0.12751 98 6PX -0.03060 -0.63376 -0.06963 0.48162 0.07871 99 6PY -0.10549 -0.32827 0.54611 0.01902 -0.11204 100 6PZ -0.02664 0.06495 0.15496 -0.10878 0.01181 101 7D 0 0.03125 -0.01639 -0.05652 0.04048 0.05446 102 7D+1 -0.05721 0.09403 0.02365 -0.12693 -0.06909 103 7D-1 0.00821 0.05553 -0.17383 -0.00582 0.14606 104 7D+2 -0.01097 0.07519 -0.00531 -0.08958 -0.00893 105 7D-2 0.00535 -0.03891 0.02977 0.03440 0.01421 106 8D 0 -0.07997 0.05625 0.17036 -0.12182 -0.15014 107 8D+1 0.12517 -0.31836 -0.07786 0.37826 0.18996 108 8D-1 -0.04274 -0.18996 0.53420 0.00779 -0.40043 109 8D+2 0.02304 -0.26138 0.00738 0.27066 0.03233 110 8D-2 -0.01678 0.13668 -0.09966 -0.09976 -0.02926 111 6 Cu 1S -0.00362 -0.00012 -0.00134 0.00319 -0.03441 112 2S -0.00978 -0.00034 -0.00410 0.00840 -0.14170 113 3S 0.03960 0.00068 0.00714 -0.05332 0.73609 114 4PX 0.00893 -0.00031 0.01398 0.03410 -0.01695 115 4PY 0.00531 -0.00009 0.01209 0.01482 0.03553 116 4PZ -0.01001 0.00034 0.03535 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-0.00389 -0.00045 0.00163 0.01905 137 4PY -0.00024 -0.00149 -0.00181 0.00029 -0.01611 138 4PZ -0.01693 0.00832 0.00396 -0.00529 0.00688 139 5PX 0.01758 -0.25918 -0.24021 -0.41082 -0.31784 140 5PY 0.09476 -0.08031 0.45070 0.28124 0.29287 141 5PZ -0.13253 0.58757 -0.36704 0.26299 -0.08446 142 6PX -0.00724 0.29258 0.22467 0.42505 0.05996 143 6PY -0.04321 0.09496 -0.33002 -0.17671 -0.10643 144 6PZ 0.11761 -0.65218 0.37933 -0.25313 -0.01010 145 7D 0 -0.03236 -0.05776 0.02450 -0.06607 0.00530 146 7D+1 -0.00924 -0.02041 0.09862 0.04214 0.07291 147 7D-1 -0.02685 -0.11645 0.06252 -0.11751 -0.02630 148 7D+2 0.03325 -0.00138 0.12834 0.09271 0.14680 149 7D-2 0.02212 0.05861 -0.06149 0.03491 -0.01288 150 8D 0 0.05933 0.19245 -0.06381 0.19983 -0.00506 151 8D+1 0.00601 0.06441 -0.30305 -0.13693 -0.20420 152 8D-1 0.04805 0.39796 -0.18337 0.35163 0.07331 153 8D+2 -0.08415 0.00814 -0.39195 -0.28484 -0.39795 154 8D-2 -0.04426 -0.20013 0.19238 -0.09644 0.03967 155 8 Cu 1S 0.01343 -0.00018 0.00514 -0.04061 0.02208 156 2S 0.06520 0.00018 0.01258 -0.10367 0.05239 157 3S 1.44874 0.02914 -0.04739 0.21624 -0.31703 158 4PX -0.03554 -0.01782 -0.00070 0.00442 -0.00762 159 4PY 0.03084 -0.01194 0.00569 -0.04110 -0.00473 160 4PZ 0.01108 -0.02950 -0.00253 0.01391 0.00674 161 5PX 1.08100 0.78980 0.21843 -0.02698 0.15096 162 5PY -0.63956 0.53562 -0.07475 1.60197 -0.06704 163 5PZ -0.49568 1.31912 0.45420 -0.55198 -0.06382 164 6PX -0.20804 -0.84080 -0.18946 0.17826 -0.14131 165 6PY 0.67251 -0.58186 0.08867 -1.45484 -0.20688 166 6PZ -0.08421 -1.44550 -0.33473 0.42779 0.17834 167 7D 0 -0.06141 0.15446 0.04728 0.03325 0.07817 168 7D+1 0.15976 -0.15471 -0.04599 0.16207 0.10211 169 7D-1 -0.11524 0.11429 -0.02933 0.20355 0.02483 170 7D+2 -0.27263 -0.15850 -0.02535 0.04475 -0.02742 171 7D-2 -0.02964 -0.04016 -0.00043 -0.15947 0.08166 172 8D 0 0.18658 -0.47236 -0.16433 -0.09319 -0.22963 173 8D+1 -0.45632 0.45341 0.14291 -0.47751 -0.28754 174 8D-1 0.32219 -0.32109 0.09117 -0.58734 -0.07758 175 8D+2 0.77616 0.46024 0.07632 -0.11478 0.06464 176 8D-2 0.10582 0.13127 0.01431 0.47675 -0.23969 177 9 C 1S -0.00030 -0.00001 -0.00022 0.00082 -0.01829 178 2S 0.00808 0.00020 0.00091 -0.00630 0.38858 179 3S -0.00296 0.00023 0.00874 -0.01587 -0.57703 180 4PX 0.00579 0.00019 -0.01459 -0.02483 -0.19266 181 4PY 0.01239 0.00036 -0.00609 -0.02965 0.37781 182 4PZ -0.01075 -0.00015 -0.03201 0.02016 -0.04454 183 5PX -0.01340 -0.00161 0.07533 0.20134 -0.02543 184 5PY -0.00207 -0.00051 0.06875 0.07742 0.05376 185 5PZ 0.01094 0.00186 0.19409 -0.10853 -0.00854 186 10 O 1S -0.00056 -0.00002 -0.00027 0.00072 -0.00909 187 2S 0.00632 0.00026 0.00254 -0.00601 0.02658 188 3S -0.00315 -0.00026 -0.00051 0.00006 0.24575 189 4PX 0.00210 -0.00011 0.00666 0.02028 -0.04778 190 4PY 0.00444 0.00001 0.00723 0.00380 0.09536 191 4PZ -0.00329 -0.00029 0.01809 -0.00963 -0.01131 192 5PX -0.00759 0.00038 -0.02440 -0.06397 -0.00553 193 5PY -0.00658 0.00007 -0.02163 -0.02763 0.02142 194 5PZ 0.00789 0.00034 -0.06261 0.03556 -0.00558 186 187 188 189 190 V V V V V EIGENVALUES -- 1.52251 1.64190 1.83993 1.84176 2.01987 1 1 Cu 1S 0.21316 -0.12763 -0.32427 0.99352 0.02596 2 2S 0.58067 -0.24185 -0.68107 2.09056 0.03456 3 3S 0.66341 1.63166 0.49416 -1.39823 -0.22683 4 4PX 0.02452 0.00003 -0.00558 0.01862 0.02204 5 4PY 0.02393 0.00330 -0.00515 0.01756 -0.02750 6 4PZ 0.01484 0.00106 -0.00470 0.01024 0.00603 7 5PX -0.26892 0.20070 0.10738 -0.67976 -0.49472 8 5PY -0.27367 -0.63793 0.19199 -0.79177 0.59261 9 5PZ -0.16395 -0.03532 0.37731 -0.31055 -0.13969 10 6PX -0.03040 -0.31129 -0.24617 0.45328 0.80159 11 6PY -0.26872 -0.04584 -0.15708 0.46212 -0.80806 12 6PZ -0.05259 -0.12194 0.04981 0.31469 0.24604 13 7D 0 -0.01564 -0.00782 -0.03455 -0.03327 0.04351 14 7D+1 0.02618 0.02164 -0.04615 -0.02194 -0.06293 15 7D-1 0.04269 -0.01093 0.03211 -0.00133 0.00769 16 7D+2 -0.01070 0.02861 0.04201 -0.01998 -0.04750 17 7D-2 0.07757 -0.01299 0.01220 -0.04698 0.03537 18 8D 0 0.06052 0.01183 0.12239 0.12975 -0.15812 19 8D+1 -0.09352 -0.06366 0.17299 0.06651 0.22083 20 8D-1 -0.14677 0.04540 -0.11381 -0.00652 -0.02300 21 8D+2 0.04045 -0.10777 -0.15274 0.07116 0.15606 22 8D-2 -0.26016 0.04825 -0.03844 0.15365 -0.12247 23 2 Cu 1S -0.51161 -0.13046 0.55155 -0.11727 0.56821 24 2S -1.10269 -0.28043 1.18112 -0.25118 1.11022 25 3S -1.04949 -0.09301 0.12772 -0.03046 -0.95660 26 4PX -0.02762 -0.00333 0.02978 -0.00104 -0.00350 27 4PY -0.00036 -0.00918 -0.00345 0.00444 0.00637 28 4PZ 0.01620 0.00565 -0.01308 0.01191 -0.00057 29 5PX 0.99409 0.13968 -1.11113 0.07481 -0.43131 30 5PY 0.07727 0.01790 -0.16994 -0.07474 -0.12594 31 5PZ -0.61023 -0.08636 0.62943 -0.41191 0.29947 32 6PX -0.11955 0.07618 0.41957 -0.10888 -0.06146 33 6PY 0.10654 -0.09678 0.10865 -0.03943 0.57302 34 6PZ 0.02652 -0.00636 -0.29660 0.02825 -0.19523 35 7D 0 -0.01360 -0.00156 0.03236 0.07489 -0.01376 36 7D+1 -0.08231 -0.00100 0.07133 -0.07062 0.02605 37 7D-1 0.00253 -0.02381 0.00316 0.02073 -0.00132 38 7D+2 0.07203 -0.02206 -0.08144 -0.03213 -0.03458 39 7D-2 -0.00280 0.01637 -0.00205 -0.03187 -0.02874 40 8D 0 0.04212 0.00729 -0.10683 -0.23348 0.04326 41 8D+1 0.25258 -0.00388 -0.24745 0.21975 -0.09804 42 8D-1 -0.00427 0.06056 -0.02151 -0.05297 0.00821 43 8D+2 -0.21760 0.06387 0.25930 0.09218 0.12829 44 8D-2 0.00658 -0.03483 0.01436 0.10083 0.09176 45 3 Cu 1S 0.20817 -0.12687 -0.70404 -0.77568 0.02498 46 2S 0.56999 -0.24055 -1.48019 -1.63269 0.03322 47 3S 0.68555 1.62778 1.04103 1.09013 -0.21039 48 4PX -0.00543 -0.00202 0.00332 0.00215 0.01643 49 4PY 0.00263 0.00214 -0.00059 -0.00220 -0.03175 50 4PZ -0.03678 -0.00212 0.01899 0.02138 -0.00425 51 5PX 0.06314 0.34072 -0.31674 0.01459 -0.35728 52 5PY -0.02158 -0.54797 0.01075 0.23657 0.69921 53 5PZ 0.41248 0.19946 -0.71035 -0.83323 0.11189 54 6PX 0.11481 -0.06649 -0.04693 0.18024 0.52128 55 6PY -0.18885 0.13320 -0.08387 -0.01481 -1.02639 56 6PZ 0.18974 0.30486 0.52586 0.53939 -0.25954 57 7D 0 0.08324 0.00718 0.03409 0.02573 -0.02671 58 7D+1 0.02897 -0.01656 -0.03515 0.02676 0.02379 59 7D-1 -0.03124 0.03360 -0.00350 0.01881 -0.06660 60 7D+2 0.01097 -0.01316 0.05356 -0.01661 0.04015 61 7D-2 0.01107 -0.00744 -0.00503 0.05480 0.04722 62 8D 0 -0.28406 -0.01234 -0.10568 -0.07390 0.09524 63 8D+1 -0.10045 0.06418 0.13189 -0.09270 -0.07744 64 8D-1 0.10726 -0.12205 0.01130 -0.06997 0.22447 65 8D+2 -0.03170 0.03707 -0.19642 0.06020 -0.14345 66 8D-2 -0.02859 0.01204 0.01654 -0.20140 -0.17136 67 4 Cu 1S -0.73082 0.32561 0.01357 -0.00062 -1.14482 68 2S -1.54739 0.68222 0.02695 -0.00049 -2.23698 69 3S 0.22937 -1.47795 -0.07523 0.02101 3.67446 70 4PX 0.01507 -0.00270 -0.00276 0.00272 -0.00692 71 4PY -0.02764 0.00552 -0.00133 0.00209 0.01273 72 4PZ 0.00254 -0.00070 0.00343 0.00321 -0.00118 73 5PX -0.56769 0.14866 0.15857 -0.14834 -0.33170 74 5PY 1.06995 -0.28689 0.06337 -0.10519 0.62597 75 5PZ -0.10315 0.02847 -0.18221 -0.16538 -0.05923 76 6PX 0.14550 -0.15373 0.01156 -0.02238 0.13966 77 6PY -0.28762 0.31849 0.01511 -0.01543 -0.25302 78 6PZ 0.02674 -0.03924 -0.02329 -0.02862 0.01507 79 7D 0 -0.06681 0.02256 0.00141 -0.00462 -0.03102 80 7D+1 0.00856 -0.00406 0.01235 0.04298 0.00411 81 7D-1 -0.01821 0.00611 -0.06887 -0.04675 -0.00872 82 7D+2 -0.06573 0.02343 -0.04356 0.06162 -0.03087 83 7D-2 -0.09753 0.03336 0.04262 -0.02410 -0.04497 84 8D 0 0.20373 -0.06861 -0.00803 0.00869 0.11818 85 8D+1 -0.02585 0.01235 -0.04407 -0.13048 -0.01568 86 8D-1 0.05593 -0.01834 0.21207 0.14736 0.03271 87 8D+2 0.20136 -0.07138 0.13794 -0.19109 0.11750 88 8D-2 0.29709 -0.10160 -0.13205 0.07826 0.17169 89 5 Cu 1S -0.50196 -0.08425 -0.39430 -0.42503 0.56158 90 2S -1.08248 -0.18003 -0.84189 -0.90833 1.09576 91 3S -1.07208 -0.16724 -0.07947 -0.06907 -0.96799 92 4PX -0.00678 0.00293 -0.01298 -0.00022 -0.00363 93 4PY 0.00713 -0.00574 0.00356 0.01169 0.00653 94 4PZ -0.03050 -0.00675 -0.01993 -0.02297 -0.00101 95 5PX 0.19981 0.00836 0.35950 -0.04259 -0.05430 96 5PY -0.17968 -0.01128 0.01388 -0.22649 0.00827 97 5PZ 1.12803 0.09201 0.85700 0.97377 -0.52136 98 6PX -0.06555 0.06845 0.00052 -0.06279 -0.24787 99 6PY 0.13589 -0.09760 0.01162 -0.00611 0.51644 100 6PZ -0.08508 0.03670 -0.36072 -0.39206 0.19909 101 7D 0 0.09335 -0.00423 0.05207 0.08160 -0.04465 102 7D+1 0.03853 -0.01775 0.09651 -0.03244 -0.00576 103 7D-1 -0.04318 0.03093 0.01060 -0.06920 0.00317 104 7D+2 -0.00010 -0.00723 0.02515 -0.02440 -0.01641 105 7D-2 -0.00731 -0.00403 -0.01642 0.00041 -0.02305 106 8D 0 -0.28607 0.02764 -0.18044 -0.27444 0.16059 107 8D+1 -0.11525 0.04832 -0.30248 0.09862 0.02747 108 8D-1 0.12733 -0.08006 -0.03494 0.21158 -0.02220 109 8D+2 0.00253 0.02205 -0.06630 0.07351 0.05558 110 8D-2 0.02447 0.01516 0.05148 0.00937 0.07586 111 6 Cu 1S 0.05083 0.27341 0.00865 -0.00153 -0.15428 112 2S 0.20949 0.58137 0.01926 -0.00414 -0.29623 113 3S 2.12144 -2.23345 -0.00962 -0.01708 -0.37394 114 4PX 0.02183 -0.01904 0.01893 -0.01848 -0.02496 115 4PY -0.03951 0.03453 0.00820 -0.01153 0.04764 116 4PZ 0.00379 -0.00285 -0.02164 -0.01961 -0.00520 117 5PX -0.21035 0.94647 -0.63247 0.63807 0.03920 118 5PY 0.34501 -1.76192 -0.33208 0.40128 -0.08842 119 5PZ -0.03066 0.16323 0.75670 0.67820 0.01956 120 6PX -0.15652 0.24132 -0.06782 0.06320 0.40138 121 6PY 0.27474 -0.53249 -0.02198 0.03684 -0.81246 122 6PZ -0.00468 0.07876 0.07665 0.06890 0.10067 123 7D 0 -0.04669 0.02007 -0.02840 -0.04856 0.04175 124 7D+1 0.00777 -0.00188 -0.04359 0.04304 -0.00712 125 7D-1 -0.01274 0.01305 -0.04627 0.00107 0.01169 126 7D+2 -0.04869 0.02392 0.00117 0.02893 0.04291 127 7D-2 -0.07014 0.02254 0.02388 0.01846 0.06187 128 8D 0 0.15070 -0.09642 0.10719 0.18366 -0.14586 129 8D+1 -0.02448 0.01087 0.16902 -0.15465 0.02489 130 8D-1 0.03996 -0.05259 0.16089 -0.01401 -0.04040 131 8D+2 0.15600 -0.10934 -0.01552 -0.09652 -0.15007 132 8D-2 0.22638 -0.11768 -0.08316 -0.07551 -0.21669 133 7 Cu 1S -0.50058 -0.08704 -0.18514 0.55239 0.56013 134 2S -1.07913 -0.18698 -0.39481 1.17972 1.09363 135 3S -1.07042 -0.17318 -0.04665 0.09552 -0.95427 136 4PX 0.01752 0.00895 0.00076 -0.01561 -0.00343 137 4PY 0.02404 -0.00164 0.00720 -0.02705 0.00670 138 4PZ 0.01134 0.00319 0.01281 -0.00725 -0.00049 139 5PX -0.70780 -0.07250 -0.14261 0.84133 0.37746 140 5PY -0.80298 -0.06595 -0.23083 0.86240 0.30549 141 5PZ -0.42799 -0.03363 -0.44686 0.38643 0.20952 142 6PX -0.00719 0.04265 0.14298 -0.36247 -0.45975 143 6PY 0.16224 -0.11877 0.09138 -0.29302 0.37548 144 6PZ 0.00626 -0.01259 0.02541 -0.21066 -0.15384 145 7D 0 -0.03332 -0.00227 0.04890 0.05420 -0.00724 146 7D+1 0.03612 0.01236 0.04952 -0.02370 -0.00965 147 7D-1 0.05009 -0.01240 0.08680 -0.02738 -0.01754 148 7D+2 -0.02572 0.02795 -0.02025 0.02441 -0.01430 149 7D-2 0.07888 -0.01747 -0.01758 -0.09018 -0.04698 150 8D 0 0.10391 0.00591 -0.14942 -0.18285 0.01962 151 8D+1 -0.11394 -0.02632 -0.16534 0.09159 0.03437 152 8D-1 -0.15149 0.03863 -0.26317 0.09756 0.06678 153 8D+2 0.07421 -0.06827 0.06479 -0.06909 0.03865 154 8D-2 -0.23856 0.05951 0.04732 0.29242 0.16919 155 8 Cu 1S 0.20859 -0.13692 1.01858 -0.21989 0.04261 156 2S 0.56869 -0.26200 2.14389 -0.46288 0.06917 157 3S 0.62008 1.57434 -1.41634 0.30364 -0.27111 158 4PX -0.03015 -0.00211 -0.02362 0.00448 0.01117 159 4PY -0.00652 0.00150 -0.00452 0.00044 -0.03340 160 4PZ 0.02015 0.00051 0.01508 -0.00451 0.00740 161 5PX 0.32863 0.40289 0.98866 -0.07514 -0.22296 162 5PY 0.09642 -0.49626 0.07302 0.07402 0.73863 163 5PZ -0.22213 -0.03364 -0.52220 0.35081 -0.17553 164 6PX 0.22700 0.16161 -0.59650 0.21453 0.24281 165 6PY -0.17365 0.21563 -0.09467 0.08269 -1.07250 166 6PZ -0.06565 -0.18365 0.42389 0.05616 0.30672 167 7D 0 0.00039 -0.00126 -0.03558 -0.04319 0.02618 168 7D+1 -0.06321 -0.00112 0.01339 -0.01147 0.03332 169 7D-1 0.00953 -0.02680 0.00967 0.04506 0.06956 170 7D+2 0.06837 -0.02471 -0.03431 -0.01198 0.04982 171 7D-2 0.01099 0.01879 -0.03760 0.04655 -0.01949 172 8D 0 0.00446 -0.00572 0.13164 0.15679 -0.09680 173 8D+1 0.21995 -0.01229 -0.02761 0.03752 -0.12147 174 8D-1 -0.02810 0.08726 -0.03006 -0.16572 -0.24086 175 8D+2 -0.22964 0.08969 0.11130 0.04714 -0.17030 176 8D-2 -0.03214 -0.07312 0.13073 -0.16846 0.05922 177 9 C 1S -0.01248 -0.02109 -0.00006 0.00008 -0.00074 178 2S 0.29355 0.10319 0.01605 -0.00168 -0.18990 179 3S -0.73234 -3.26232 -0.10726 0.00891 -0.67715 180 4PX -0.10615 -0.13873 -0.02539 0.02219 0.02195 181 4PY 0.20840 0.28928 -0.00325 0.01184 -0.03722 182 4PZ -0.02479 -0.03881 0.02452 0.02279 0.00291 183 5PX 0.02484 -0.18475 0.23401 -0.22357 -0.36559 184 5PY -0.02260 0.40301 0.08680 -0.14670 0.72475 185 5PZ -0.00375 -0.05003 -0.26315 -0.24358 -0.08531 186 10 O 1S 0.00962 0.08093 0.00127 -0.00020 0.02121 187 2S -0.23335 -1.86405 -0.03331 0.00568 -0.65663 188 3S 0.51315 3.53820 0.07072 -0.01250 1.39972 189 4PX -0.01469 0.02607 0.02730 -0.02650 0.01023 190 4PY 0.03167 -0.05102 0.00875 -0.01723 -0.02300 191 4PZ -0.00437 0.00679 -0.03058 -0.02943 0.00366 192 5PX -0.06997 -0.53526 -0.11490 0.10425 -0.15679 193 5PY 0.13343 1.07035 -0.01705 0.06306 0.32360 194 5PZ -0.01452 -0.13346 0.11648 0.11373 -0.04283 191 192 193 194 V V V V EIGENVALUES -- 2.30405 2.31087 3.67490 11.94035 1 1 Cu 1S -0.56932 -0.40985 -1.03619 -1.29289 2 2S -1.08503 -0.78369 -1.73974 -2.05232 3 3S 1.65274 1.11334 6.16165 2.75330 4 4PX 0.01100 -0.01624 0.05423 0.02438 5 4PY 0.01726 0.00396 0.02320 0.07114 6 4PZ -0.02360 0.03655 0.02723 0.02195 7 5PX 0.10789 0.50356 -0.34220 -0.08476 8 5PY 0.03486 0.20425 -0.91308 0.82903 9 5PZ 0.60231 -0.51506 -0.28622 0.07892 10 6PX -0.49143 -1.35387 -0.51393 -0.21935 11 6PY 0.11880 -0.27637 -1.11903 -0.79063 12 6PZ -1.54524 1.21918 -0.39153 -0.26648 13 7D 0 0.00119 -0.03166 0.00638 -0.01189 14 7D+1 0.02537 0.02167 -0.00941 0.00676 15 7D-1 0.06379 -0.06622 0.00182 0.00612 16 7D+2 0.02433 0.00034 -0.00740 -0.01076 17 7D-2 -0.00800 0.04643 0.00553 0.00237 18 8D 0 -0.00569 0.11080 -0.04202 0.09669 19 8D+1 -0.09107 -0.07986 0.03442 -0.04478 20 8D-1 -0.23016 0.23441 -0.00090 -0.05961 21 8D+2 -0.09105 -0.00210 -0.00395 0.11051 22 8D-2 0.02042 -0.17116 -0.02923 -0.03204 23 2 Cu 1S 0.12001 -1.23558 -0.10945 -0.41024 24 2S 0.22541 -2.32211 -0.17654 -0.63831 25 3S -0.34597 3.48407 -2.30853 -4.29408 26 4PX 0.00213 0.03083 -0.00710 0.00823 27 4PY 0.00270 0.00896 0.00778 -0.00347 28 4PZ 0.01086 -0.02030 0.00092 -0.00332 29 5PX -0.08017 0.34713 0.32394 0.82351 30 5PY -0.02814 -0.01585 -0.35809 0.37599 31 5PZ -0.06164 -0.20702 -0.04228 -0.63087 32 6PX 0.19973 -0.17870 0.61237 0.54861 33 6PY 0.05854 0.68482 -0.24831 0.72343 34 6PZ 0.32432 -0.13138 -0.24891 -0.62124 35 7D 0 -0.00267 -0.00579 -0.00298 0.00462 36 7D+1 0.02908 -0.01192 0.00040 -0.00721 37 7D-1 -0.03603 -0.01492 -0.02285 0.00583 38 7D+2 0.03124 0.00302 -0.02363 0.01503 39 7D-2 -0.00980 0.00254 0.01257 0.00522 40 8D 0 0.01298 0.02648 0.01658 -0.02642 41 8D+1 -0.10597 0.06560 -0.00999 0.06474 42 8D-1 0.12603 0.05181 0.08546 -0.02291 43 8D+2 -0.10869 -0.03076 0.09962 -0.09865 44 8D-2 0.03184 -0.00561 -0.03580 -0.04412 45 3 Cu 1S 0.64010 -0.29161 -1.02985 -1.29653 46 2S 1.22056 -0.55762 -1.72864 -2.05816 47 3S -1.84238 0.78984 6.14562 2.76561 48 4PX -0.01092 -0.04130 0.00146 -0.02593 49 4PY -0.02014 -0.01559 -0.01409 0.03583 50 4PZ 0.01025 0.00023 -0.06328 -0.06490 51 5PX 0.29095 0.67993 0.32182 -0.37344 52 5PY 0.27593 0.33128 -0.44904 0.63608 53 5PZ 0.35992 -0.26076 0.85439 -0.41070 54 6PX -0.55723 -1.73678 0.36449 0.34052 55 6PY -0.98177 -0.63614 -0.48651 -0.42886 56 6PZ -0.96432 0.62558 1.12727 0.68734 57 7D 0 -0.03689 0.02703 -0.00358 0.00762 58 7D+1 -0.02170 -0.04743 0.00397 0.00700 59 7D-1 -0.03113 -0.02681 -0.01034 -0.00804 60 7D+2 -0.02291 -0.06750 0.00632 -0.00678 61 7D-2 0.02442 0.03387 0.00691 -0.01130 62 8D 0 0.13993 -0.10002 0.00640 -0.06433 63 8D+1 0.07725 0.16697 -0.00076 -0.07114 64 8D-1 0.11135 0.09526 0.01536 0.09167 65 8D+2 0.08557 0.24061 -0.03600 0.04979 66 8D-2 -0.08229 -0.12352 -0.04835 0.09024 67 4 Cu 1S 0.00118 -0.00665 -0.60503 -0.15524 68 2S 0.00180 -0.01219 -1.03132 -0.22329 69 3S -0.01735 0.06133 -3.09599 -2.05661 70 4PX 0.00421 0.00781 -0.01010 0.00176 71 4PY 0.00288 0.00426 0.01871 -0.00307 72 4PZ 0.00894 -0.00507 -0.00175 0.00021 73 5PX -0.05085 -0.09401 -0.32590 -0.16588 74 5PY -0.03172 -0.05199 0.60969 0.29587 75 5PZ -0.10411 0.06046 -0.06198 -0.02288 76 6PX 0.22090 0.44372 -0.57141 -0.38588 77 6PY 0.16370 0.21308 1.03064 0.75007 78 6PZ 0.47393 -0.27558 -0.08395 -0.09020 79 7D 0 0.02479 -0.00529 0.00398 0.00930 80 7D+1 -0.01838 -0.02425 -0.00035 -0.00141 81 7D-1 0.01511 -0.02594 0.00148 0.00238 82 7D+2 -0.01862 -0.01049 0.00402 0.00907 83 7D-2 -0.00960 0.01340 0.00547 0.01374 84 8D 0 -0.08720 0.01852 -0.00025 -0.04697 85 8D+1 0.06576 0.08528 -0.00081 0.00707 86 8D-1 -0.05485 0.09246 -0.00172 -0.01216 87 8D+2 0.06663 0.03826 -0.00090 -0.04583 88 8D-2 0.03350 -0.04834 0.00103 -0.06920 89 5 Cu 1S -1.13378 0.52187 -0.13489 -0.37602 90 2S -2.12968 0.98156 -0.21699 -0.58632 91 3S 3.21694 -1.41320 -2.23911 -4.30638 92 4PX 0.00742 0.00688 -0.00501 0.00405 93 4PY 0.00212 0.00478 0.00931 -0.00702 94 4PZ 0.03439 -0.01617 -0.00232 0.00525 95 5PX 0.04941 -0.11564 0.23363 0.03659 96 5PY -0.12371 0.00171 -0.39822 0.12236 97 5PZ 0.33231 -0.16079 0.18531 1.05637 98 6PX -0.14383 0.41655 0.25357 -0.18370 99 6PY 0.64349 -0.09970 -0.40111 0.58035 100 6PZ 0.10381 -0.09187 0.56542 0.95573 101 7D 0 0.01102 -0.00735 -0.00071 0.01240 102 7D+1 0.00559 0.01076 -0.01394 0.00461 103 7D-1 0.00899 0.00863 0.02856 -0.00701 104 7D+2 0.01384 0.04412 -0.00898 0.00649 105 7D-2 -0.01894 -0.02332 -0.00818 0.00768 106 8D 0 -0.06104 0.03666 0.01747 -0.10098 107 8D+1 -0.03258 -0.03672 0.05296 -0.02917 108 8D-1 -0.01940 -0.03851 -0.10638 0.03650 109 8D+2 -0.04673 -0.15607 0.03956 -0.03845 110 8D-2 0.07107 0.07905 0.03903 -0.04607 111 6 Cu 1S -0.00606 0.01317 1.14788 -3.45364 112 2S -0.01166 0.02331 1.94110 -5.53077 113 3S 0.01585 -0.06591 -5.52157 11.93429 114 4PX -0.02097 -0.04075 0.01428 0.04210 115 4PY -0.01491 -0.02165 -0.02784 -0.07734 116 4PZ -0.04465 0.02608 0.00318 0.00715 117 5PX 0.38600 0.72296 1.79298 -3.42538 118 5PY 0.25527 0.46205 -3.40233 6.55216 119 5PZ 0.80175 -0.48629 0.35993 -0.72445 120 6PX 0.00801 0.05675 -0.21504 0.08600 121 6PY 0.01285 0.00408 0.58068 -0.46508 122 6PZ 0.03012 -0.03146 -0.13917 0.18648 123 7D 0 -0.04364 0.00937 0.00645 -0.04150 124 7D+1 0.02729 0.04307 -0.00143 0.00717 125 7D-1 -0.01815 0.04034 0.00281 -0.01311 126 7D+2 0.02753 0.01278 0.00698 -0.04261 127 7D-2 0.01796 -0.01876 0.00890 -0.06031 128 8D 0 0.15648 -0.03208 -0.07807 0.31635 129 8D+1 -0.09637 -0.15562 0.01488 -0.05365 130 8D-1 0.06255 -0.14307 -0.02875 0.09943 131 8D+2 -0.09772 -0.04221 -0.08196 0.32365 132 8D-2 -0.06556 0.06857 -0.11059 0.45925 133 7 Cu 1S 1.01160 0.73066 -0.12763 -0.38465 134 2S 1.90021 1.37411 -0.20582 -0.59946 135 3S -2.87888 -1.99424 -2.26903 -4.30462 136 4PX 0.01983 0.01887 -0.00339 -0.00017 137 4PY 0.01697 0.01385 0.01031 -0.00962 138 4PZ 0.01835 0.00092 -0.00018 -0.00126 139 5PX 0.18177 0.10216 0.10783 -0.84011 140 5PY 0.26214 0.17653 -0.48568 -0.49602 141 5PZ 0.05216 0.15968 -0.02727 -0.44429 142 6PX 0.28899 0.39593 -0.17097 -1.01379 143 6PY -0.45241 -0.24863 -0.69688 -0.02285 144 6PZ 0.31657 -0.18599 -0.15871 -0.49183 145 7D 0 0.00787 0.00616 -0.00559 0.00304 146 7D+1 -0.00152 -0.02041 0.01502 -0.00084 147 7D-1 -0.03178 0.03753 -0.00884 0.00710 148 7D+2 -0.01186 0.00883 0.02359 -0.00133 149 7D-2 0.00850 -0.01711 -0.01683 0.01646 150 8D 0 -0.03536 -0.03139 0.02406 -0.01107 151 8D+1 0.01526 0.07565 -0.05316 -0.01106 152 8D-1 0.12429 -0.12501 0.03852 -0.05151 153 8D+2 0.03194 -0.03653 -0.08180 -0.00191 154 8D-2 -0.01371 0.07304 0.07851 -0.11558 155 8 Cu 1S -0.06570 0.69408 -1.05137 -1.27432 156 2S -0.12450 1.32240 -1.76397 -2.02445 157 3S 0.20921 -2.02438 6.26475 2.67501 158 4PX -0.02396 0.01076 -0.04563 -0.06733 159 4PY -0.01485 -0.01119 -0.02822 0.02161 160 4PZ -0.03848 -0.00732 0.03785 0.03044 161 5PX 0.37499 0.31594 0.90316 -0.61646 162 5PY 0.25201 0.25759 -0.25742 0.52578 163 5PZ 0.70243 -0.18693 -0.42000 0.14326 164 6PX -0.90983 -0.71256 1.17342 0.70767 165 6PY -0.58558 -0.95482 -0.29841 -0.19512 166 6PZ -1.74057 0.55738 -0.56248 -0.34136 167 7D 0 0.03543 0.00848 0.00383 -0.00868 168 7D+1 -0.05937 0.03062 0.00474 -0.01227 169 7D-1 0.05157 0.03025 0.01002 -0.00110 170 7D+2 -0.05754 -0.01360 0.00708 0.00558 171 7D-2 0.00114 -0.02081 -0.00274 -0.01017 172 8D 0 -0.12494 -0.02597 -0.03143 0.07200 173 8D+1 0.21174 -0.11360 -0.02451 0.10169 174 8D-1 -0.18474 -0.10798 -0.03063 -0.00668 175 8D+2 0.20451 0.05529 -0.02385 -0.06089 176 8D-2 -0.00610 0.08216 -0.02110 0.09632 177 9 C 1S 0.00012 -0.00047 0.01832 -0.04740 178 2S 0.00610 -0.02907 0.51235 -0.87798 179 3S -0.03733 0.17402 -1.50965 4.08313 180 4PX 0.02691 0.06167 0.01485 -0.07748 181 4PY 0.02229 0.01727 -0.03008 0.14552 182 4PZ 0.05959 -0.03414 0.00369 -0.01522 183 5PX -0.25569 -0.51704 1.25325 -2.03368 184 5PY -0.19235 -0.24519 -2.43496 3.94014 185 5PZ -0.55327 0.32101 0.28199 -0.45710 186 10 O 1S 0.00028 -0.00147 -0.00271 -0.01167 187 2S -0.00985 0.05255 0.63863 -0.50631 188 3S 0.02314 -0.12450 -1.82171 1.84652 189 4PX -0.04039 -0.08166 0.05352 -0.09568 190 4PY -0.03033 -0.03771 -0.09426 0.17845 191 4PZ -0.08752 0.05051 0.00803 -0.01896 192 5PX 0.14327 0.31107 -0.05965 0.26560 193 5PY 0.11580 0.10506 0.06285 -0.45646 194 5PZ 0.31598 -0.17871 0.00660 0.03993 DENSITY MATRIX. 1 2 3 4 5 1 1 Cu 1S 2.00808 2 2S 0.01173 0.30095 3 3S 0.03924 0.05491 0.67392 4 4PX 0.00360 0.01790 -0.06363 1.99698 5 4PY 0.00425 0.02306 -0.11643 -0.00276 1.99608 6 4PZ 0.00223 0.01136 -0.04606 -0.00098 -0.00157 7 5PX -0.00446 -0.02910 -0.10188 0.02955 0.01683 8 5PY -0.00663 -0.03125 -0.09362 0.01447 0.04666 9 5PZ -0.00301 -0.01755 -0.05950 0.00688 0.01166 10 6PX -0.00549 0.02964 -0.04589 -0.03623 0.02999 11 6PY -0.00686 0.03145 -0.05400 0.02654 -0.01948 12 6PZ -0.00348 0.01801 -0.02752 0.01279 0.01890 13 7D 0 -0.00006 -0.00570 -0.04155 0.00209 -0.00117 14 7D+1 -0.00034 0.01018 0.08023 -0.00263 0.00380 15 7D-1 -0.00017 0.01116 0.11137 0.00316 -0.00024 16 7D+2 -0.00053 0.00013 -0.01029 -0.00420 0.00467 17 7D-2 -0.00056 0.01972 0.20126 0.00121 -0.00206 18 8D 0 -0.00040 -0.00248 -0.01579 0.00072 0.00119 19 8D+1 0.00008 0.00486 0.02800 -0.00081 0.00067 20 8D-1 0.00015 0.00532 0.03829 0.00041 -0.00122 21 8D+2 -0.00055 0.00041 -0.00495 -0.00155 0.00342 22 8D-2 -0.00011 0.00964 0.06777 -0.00034 -0.00135 23 2 Cu 1S -0.00226 -0.00663 -0.00556 -0.00143 0.00213 24 2S -0.00573 0.14454 -0.09638 -0.02739 0.02276 25 3S -0.00998 0.08087 -0.17907 -0.01025 0.02157 26 4PX 0.00126 0.01440 0.02294 0.00028 0.00069 27 4PY 0.00026 -0.00488 -0.02474 -0.00237 0.00131 28 4PZ -0.00097 -0.01635 -0.06107 -0.00133 -0.00111 29 5PX 0.00189 -0.01968 0.03195 -0.00354 -0.00135 30 5PY -0.00184 0.01688 -0.02100 0.00398 0.00127 31 5PZ -0.00212 0.03253 -0.02595 0.00085 0.00990 32 6PX 0.00282 -0.00075 0.03173 0.00945 -0.00820 33 6PY 0.00089 -0.01344 0.00211 0.01243 0.00410 34 6PZ -0.00153 -0.00071 -0.04112 0.01311 -0.00708 35 7D 0 0.00266 0.02383 0.10811 -0.01575 0.01022 36 7D+1 -0.00133 -0.03189 -0.22222 0.00690 -0.01373 37 7D-1 0.00344 0.06071 0.20752 -0.01910 -0.00152 38 7D+2 -0.00213 -0.01468 0.02105 0.00779 0.00767 39 7D-2 -0.00104 -0.01890 -0.13777 0.00561 -0.00241 40 8D 0 0.00122 0.00784 0.03641 -0.00450 0.00345 41 8D+1 -0.00092 -0.01287 -0.07588 -0.00077 -0.00349 42 8D-1 0.00143 0.01992 0.06909 -0.00469 -0.00181 43 8D+2 -0.00070 -0.00332 0.00703 0.00309 0.00289 44 8D-2 -0.00052 -0.00653 -0.04565 -0.00020 0.00008 45 3 Cu 1S -0.00389 -0.01003 0.00198 0.00189 0.00127 46 2S -0.01002 0.07384 -0.09241 0.01321 0.00397 47 3S 0.00201 -0.09269 0.01851 0.02123 0.02078 48 4PX -0.00199 -0.02172 0.00368 0.00453 -0.00242 49 4PY -0.00145 -0.02055 0.00833 -0.00207 0.00413 50 4PZ -0.00327 -0.02419 -0.02834 -0.00161 -0.00062 51 5PX -0.00163 0.03423 -0.01078 -0.00913 0.00991 52 5PY -0.00148 0.04393 -0.00831 0.00836 -0.00683 53 5PZ -0.00324 0.02128 -0.01480 0.01073 0.00765 54 6PX -0.00096 -0.01314 -0.03750 0.01960 -0.01241 55 6PY -0.00135 0.00893 -0.03744 -0.01493 0.00694 56 6PZ 0.00095 -0.02273 -0.00532 -0.00529 0.00639 57 7D 0 -0.00247 0.01252 0.14173 0.01559 0.01103 58 7D+1 0.00034 0.03822 0.24932 0.00754 0.00820 59 7D-1 0.00033 0.02452 0.20476 0.00913 0.00085 60 7D+2 -0.00158 -0.01699 0.03754 -0.00236 0.00682 61 7D-2 0.00316 0.05171 0.12134 -0.00078 -0.00558 62 8D 0 -0.00090 0.00435 0.04764 0.00463 0.00331 63 8D+1 0.00023 0.01231 0.08559 0.00031 0.00237 64 8D-1 0.00023 0.00735 0.06835 0.00241 -0.00082 65 8D+2 -0.00050 -0.00619 0.01127 -0.00198 0.00263 66 8D-2 0.00099 0.01736 0.04008 -0.00075 -0.00206 67 4 Cu 1S -0.00213 -0.00616 -0.00416 0.00390 -0.00112 68 2S -0.00478 0.13137 -0.01292 0.04337 -0.02910 69 3S -0.01059 0.06265 -0.19244 0.02537 -0.00357 70 4PX -0.00050 -0.01557 -0.06506 0.00141 -0.00218 71 4PY 0.00083 0.01271 0.01187 0.00169 -0.00015 72 4PZ -0.00011 -0.00518 -0.02770 0.00008 -0.00126 73 5PX -0.00288 0.02895 -0.03807 0.00524 0.00410 74 5PY 0.00196 -0.01187 0.03448 -0.00342 -0.00280 75 5PZ -0.00101 0.01133 -0.01204 0.00593 0.00276 76 6PX -0.00103 0.00171 -0.03509 -0.00879 0.01535 77 6PY 0.00333 -0.00931 0.05783 -0.00675 0.00841 78 6PZ 0.00003 -0.00046 -0.00829 -0.01121 0.00611 79 7D 0 -0.00074 -0.02651 -0.11494 -0.00713 0.00573 80 7D+1 0.00343 0.04800 0.14792 0.01487 -0.01415 81 7D-1 -0.00038 -0.00885 -0.08591 -0.01121 0.00136 82 7D+2 0.00490 0.04836 0.14714 0.00707 -0.02137 83 7D-2 -0.00015 -0.02535 -0.22521 -0.02371 0.00275 84 8D 0 -0.00040 -0.00934 -0.03952 -0.00052 0.00092 85 8D+1 0.00141 0.01587 0.04962 0.00331 -0.00367 86 8D-1 -0.00022 -0.00340 -0.02919 -0.00321 -0.00076 87 8D+2 0.00192 0.01555 0.04825 0.00007 -0.00645 88 8D-2 -0.00028 -0.00989 -0.07726 -0.00570 -0.00204 89 5 Cu 1S -0.00226 -0.00662 -0.00541 0.00129 0.00301 90 2S -0.00573 0.14506 -0.09521 0.00491 0.03328 91 3S -0.01008 0.08159 -0.18166 0.00615 0.02776 92 4PX 0.00012 -0.00182 -0.02686 0.00127 0.00009 93 4PY -0.00013 -0.01021 -0.04114 -0.00094 0.00148 94 4PZ 0.00160 0.01975 0.04995 0.00022 0.00143 95 5PX -0.00010 0.00903 0.00444 -0.00540 0.00521 96 5PY -0.00245 0.02597 -0.02979 0.00730 0.00457 97 5PZ 0.00230 -0.03099 0.03539 -0.00217 -0.00711 98 6PX 0.00065 0.00018 -0.00912 0.01035 -0.01256 99 6PY 0.00023 -0.01324 -0.01188 -0.00325 -0.00267 100 6PZ 0.00326 -0.00313 0.04988 -0.00305 -0.00214 101 7D 0 -0.00076 0.00062 0.10394 0.00625 0.01618 102 7D+1 -0.00265 -0.01731 -0.06326 0.00960 -0.00768 103 7D-1 -0.00295 -0.05599 -0.29710 -0.00643 -0.01716 104 7D+2 -0.00213 -0.03604 -0.12520 -0.00479 -0.00154 105 7D-2 0.00233 0.03336 0.06458 -0.00989 0.00076 106 8D 0 0.00004 0.00263 0.03627 0.00188 0.00465 107 8D+1 -0.00114 -0.00523 -0.02160 0.00409 -0.00210 108 8D-1 -0.00148 -0.01966 -0.09939 -0.00212 -0.00309 109 8D+2 -0.00091 -0.01208 -0.04249 -0.00202 0.00108 110 8D-2 0.00092 0.01057 0.02160 -0.00456 -0.00031 111 6 Cu 1S -0.00320 -0.00551 -0.00724 -0.00112 0.00231 112 2S -0.00811 0.05852 -0.09702 -0.00991 0.03014 113 3S -0.00467 -0.04642 -0.15234 0.01897 0.02480 114 4PX -0.00046 -0.01207 -0.00811 0.00220 0.00216 115 4PY -0.00188 -0.03708 -0.00116 0.00131 -0.00420 116 4PZ -0.00048 -0.01078 -0.00434 -0.00156 -0.00049 117 5PX 0.00061 0.04655 0.04844 -0.00921 -0.00512 118 5PY -0.00894 0.04428 -0.16053 0.00133 0.03921 119 5PZ -0.00100 0.02756 0.00028 0.00483 0.00607 120 6PX -0.00024 -0.01930 0.02796 0.00724 0.00378 121 6PY -0.00103 -0.00855 -0.02461 0.00158 0.00465 122 6PZ -0.00018 -0.01098 0.00973 -0.00966 -0.00230 123 7D 0 -0.00046 -0.03823 -0.06573 0.00353 -0.01391 124 7D+1 0.00169 0.02166 0.01673 -0.00390 0.00100 125 7D-1 0.00121 0.01978 0.06662 -0.00004 0.00612 126 7D+2 0.00127 -0.03336 -0.12067 0.00044 -0.02207 127 7D-2 0.00252 0.00868 0.06601 -0.00613 -0.00475 128 8D 0 0.00015 -0.01292 -0.02280 0.00120 -0.00338 129 8D+1 0.00058 0.00768 0.00560 -0.00147 0.00090 130 8D-1 0.00033 0.00515 0.02280 0.00033 0.00171 131 8D+2 0.00094 -0.00974 -0.04176 -0.00047 -0.00450 132 8D-2 0.00101 0.00014 0.02227 -0.00288 -0.00117 133 7 Cu 1S 0.00082 -0.00184 0.00361 -0.00099 -0.00075 134 2S -0.00235 -0.12228 -0.06709 0.00461 0.01019 135 3S -0.00598 0.00711 -0.02299 -0.01317 -0.00756 136 4PX 0.00211 0.00298 0.01466 0.00099 -0.00167 137 4PY 0.00325 0.00217 0.01472 -0.00164 -0.00021 138 4PZ 0.00142 0.00164 0.00894 -0.00107 -0.00119 139 5PX -0.00134 0.00335 -0.03203 -0.00582 0.00209 140 5PY -0.00128 0.00930 -0.03890 0.00005 -0.00486 141 5PZ -0.00079 0.00286 -0.02004 0.00076 0.00132 142 6PX 0.00036 0.02562 0.03834 -0.00533 0.00061 143 6PY -0.00049 0.02873 0.01491 0.00076 -0.00582 144 6PZ 0.00005 0.01605 0.01951 0.00017 0.00035 145 7D 0 0.00164 0.00106 0.08923 -0.00218 -0.00222 146 7D+1 -0.00200 -0.00023 -0.10714 0.00191 -0.00097 147 7D-1 -0.00254 -0.01046 -0.10466 -0.00107 0.00042 148 7D+2 0.00091 0.00900 0.03190 0.00362 -0.00418 149 7D-2 -0.00397 -0.01906 -0.15298 0.00438 0.00070 150 8D 0 0.00056 0.00205 0.03239 -0.00061 -0.00077 151 8D+1 -0.00074 -0.00167 -0.03854 0.00038 -0.00056 152 8D-1 -0.00079 -0.00584 -0.03778 -0.00089 -0.00019 153 8D+2 0.00015 0.00456 0.01198 0.00184 -0.00141 154 8D-2 -0.00122 -0.00983 -0.05495 0.00104 -0.00033 155 8 Cu 1S -0.00391 -0.01004 0.00201 0.00364 0.00187 156 2S -0.01002 0.07429 -0.09140 0.03492 0.01101 157 3S 0.00199 -0.09217 0.01675 0.01345 0.01815 158 4PX -0.00361 -0.03016 -0.01946 0.00209 -0.00249 159 4PY -0.00194 -0.02320 0.00101 -0.00159 0.00449 160 4PZ 0.00027 -0.00554 0.02271 0.00156 -0.00116 161 5PX -0.00330 0.03387 -0.01739 0.00211 0.01332 162 5PY -0.00201 0.04378 -0.01010 0.01057 -0.00617 163 5PZ 0.00049 0.02218 -0.00048 -0.00345 0.00346 164 6PX 0.00018 -0.02610 -0.02587 0.00280 -0.00688 165 6PY -0.00103 0.00431 -0.03151 -0.01136 0.01180 166 6PZ -0.00167 0.00688 -0.03271 0.00680 -0.01389 167 7D 0 -0.00032 -0.02756 -0.18883 -0.01516 -0.00684 168 7D+1 0.00154 -0.00427 -0.00677 -0.00693 -0.00339 169 7D-1 0.00319 0.03312 -0.01825 -0.00200 -0.00564 170 7D+2 -0.00194 0.00774 0.15469 0.01365 0.01557 171 7D-2 0.00150 0.05708 0.28363 0.02395 0.00530 172 8D 0 -0.00025 -0.00878 -0.06554 -0.00245 -0.00121 173 8D+1 0.00062 -0.00209 -0.00297 -0.00196 -0.00066 174 8D-1 0.00099 0.01159 -0.00547 0.00046 -0.00114 175 8D+2 -0.00063 0.00233 0.05217 0.00128 0.00500 176 8D-2 0.00053 0.01854 0.09472 0.00511 0.00019 177 9 C 1S -0.00081 0.00788 -0.02312 -0.00096 0.00328 178 2S 0.00318 -0.01556 0.06538 0.00175 -0.00878 179 3S 0.00195 -0.02626 0.06067 0.00781 -0.00656 180 4PX -0.00066 0.03959 -0.07488 -0.00463 0.00334 181 4PY 0.00067 -0.00344 0.08320 0.00029 -0.00647 182 4PZ -0.00025 0.01836 -0.02879 0.00163 0.00255 183 5PX 0.00040 0.02029 -0.00313 -0.00266 -0.00595 184 5PY 0.00118 -0.00589 -0.01175 0.00230 -0.00077 185 5PZ 0.00035 0.00875 -0.00328 0.00036 -0.00244 186 10 O 1S -0.00015 -0.00167 -0.01320 0.00027 -0.00077 187 2S -0.00005 0.00541 0.02183 -0.00087 0.00202 188 3S -0.00042 -0.00282 0.03638 -0.00062 0.00388 189 4PX -0.00040 -0.03510 0.04095 0.00420 -0.00150 190 4PY 0.00119 -0.00574 -0.07616 0.00008 0.00421 191 4PZ 0.00004 -0.01765 0.00989 -0.00177 -0.00195 192 5PX -0.00017 -0.02111 0.01372 0.00235 0.00175 193 5PY -0.00003 -0.00691 -0.01234 -0.00002 0.00207 194 5PZ -0.00006 -0.01082 0.00481 -0.00117 0.00011 6 7 8 9 10 6 4PZ 1.99758 7 5PX 0.00725 0.08835 8 5PY 0.01069 -0.01320 0.07678 9 5PZ 0.02383 -0.00264 -0.00789 0.08772 10 6PX 0.01346 0.01541 0.00336 -0.00145 0.07652 11 6PY 0.01734 0.00165 0.00798 -0.00126 -0.03163 12 6PZ -0.04754 -0.00186 -0.00060 0.01887 -0.01435 13 7D 0 -0.00194 -0.04463 -0.00777 0.02806 -0.07195 14 7D+1 -0.00154 0.05974 -0.04320 0.03086 0.10069 15 7D-1 -0.00397 -0.04428 0.00792 0.09974 -0.08268 16 7D+2 -0.00129 0.06484 -0.08959 0.02379 0.09546 17 7D-2 0.00301 0.01802 0.03113 -0.04603 0.02324 18 8D 0 -0.00068 -0.01413 -0.00196 0.00924 -0.02428 19 8D+1 -0.00108 0.01922 -0.01476 0.00949 0.03419 20 8D-1 -0.00104 -0.01513 0.00172 0.03259 -0.02754 21 8D+2 0.00015 0.02130 -0.02903 0.00811 0.03133 22 8D-2 0.00033 0.00517 0.00893 -0.01567 0.00753 23 2 Cu 1S 0.00332 -0.00004 0.00248 0.00190 -0.00267 24 2S 0.03482 0.06732 -0.02574 -0.05851 0.01824 25 3S 0.02111 0.02167 0.00890 0.01510 -0.02316 26 4PX 0.00136 0.00242 -0.00500 -0.00969 0.00075 27 4PY 0.00101 0.00784 -0.00782 0.00234 0.00305 28 4PZ 0.00182 -0.00110 0.01171 -0.00071 -0.00902 29 5PX -0.00512 0.00357 -0.00338 -0.00169 0.01597 30 5PY 0.00627 -0.00868 0.00861 0.00577 0.00222 31 5PZ -0.00044 -0.00746 -0.00087 0.01368 -0.00245 32 6PX -0.00293 0.00071 -0.00553 -0.00760 -0.01828 33 6PY -0.01767 -0.00638 0.00229 0.00495 -0.01204 34 6PZ -0.00110 0.00405 0.00378 0.00649 -0.01839 35 7D 0 0.00168 0.07314 -0.07342 0.00951 0.01082 36 7D+1 -0.02018 -0.00147 0.04166 0.08881 0.09151 37 7D-1 0.01582 0.08260 -0.03205 -0.09054 -0.04249 38 7D+2 0.00222 -0.03328 -0.03825 0.02924 0.03949 39 7D-2 -0.01682 -0.00407 0.02277 0.06965 0.04011 40 8D 0 -0.00190 0.02421 -0.02457 0.00329 0.00375 41 8D+1 -0.00384 -0.00076 0.01451 0.03087 0.03133 42 8D-1 0.00293 0.02757 -0.01109 -0.03018 -0.01423 43 8D+2 0.00040 -0.01026 -0.01342 0.00938 0.01272 44 8D-2 -0.00473 -0.00167 0.00751 0.02323 0.01364 45 3 Cu 1S 0.00340 0.00208 0.00112 0.00314 -0.00085 46 2S 0.03592 -0.01154 0.01187 -0.05735 0.00760 47 3S 0.00206 0.00811 0.00503 0.01763 -0.00459 48 4PX -0.00078 -0.01127 0.00513 0.00704 0.01837 49 4PY 0.00057 0.00503 -0.01146 -0.00074 -0.01471 50 4PZ 0.00160 0.01056 0.00376 0.00669 -0.00618 51 5PX 0.00663 0.01420 -0.00609 -0.00767 0.02353 52 5PY 0.00394 -0.00869 0.01691 -0.00658 0.00169 53 5PZ -0.00008 -0.00250 0.00152 0.00422 0.00013 54 6PX -0.00835 0.02384 -0.00062 0.00433 -0.01758 55 6PY 0.00125 -0.00309 0.00824 0.01765 0.02629 56 6PZ -0.00102 0.00231 0.00401 0.02056 0.00674 57 7D 0 0.01129 -0.02867 -0.04660 -0.04564 -0.01062 58 7D+1 0.02134 -0.07429 -0.03262 -0.07964 0.01294 59 7D-1 0.01297 -0.03425 -0.06046 -0.06656 -0.04084 60 7D+2 0.00408 -0.01594 -0.02329 -0.00324 -0.02815 61 7D-2 0.01298 -0.00478 -0.00269 -0.05803 -0.01623 62 8D 0 0.00077 -0.00902 -0.01563 -0.01624 -0.00285 63 8D+1 0.00404 -0.02593 -0.01069 -0.02684 0.00314 64 8D-1 0.00178 -0.01105 -0.02080 -0.02236 -0.01340 65 8D+2 0.00063 -0.00551 -0.00738 -0.00075 -0.00955 66 8D-2 0.00421 -0.00150 -0.00101 -0.01987 -0.00501 67 4 Cu 1S 0.00160 0.00266 0.00033 0.00125 0.00133 68 2S 0.01534 -0.07989 0.06788 -0.02603 0.01683 69 3S 0.01104 0.02072 0.03125 0.01415 0.03709 70 4PX -0.00048 0.00413 0.00402 0.00642 0.02158 71 4PY 0.00048 -0.00967 0.00283 -0.00265 0.00436 72 4PZ 0.00162 0.00442 0.00354 -0.00633 0.01644 73 5PX 0.00704 0.01589 -0.00860 0.00263 0.01382 74 5PY -0.00065 -0.00408 0.00064 -0.00290 -0.00816 75 5PZ -0.00591 0.00327 -0.00491 0.00813 0.00004 76 6PX -0.00788 0.00634 0.00108 0.00149 0.01114 77 6PY -0.00383 -0.01257 -0.00280 -0.00647 0.00900 78 6PZ 0.00957 -0.00037 -0.00043 0.00327 0.02245 79 7D 0 -0.01177 0.02196 -0.02928 0.08429 -0.06393 80 7D+1 -0.00661 -0.10096 0.06238 0.04355 -0.02028 81 7D-1 0.00121 0.03701 0.00566 0.01091 -0.05162 82 7D+2 0.00702 -0.05577 0.09161 -0.05727 0.04209 83 7D-2 -0.01068 0.09582 0.01828 0.03127 0.00082 84 8D 0 -0.00428 0.00802 -0.00983 0.02856 -0.02157 85 8D+1 -0.00406 -0.03384 0.02048 0.01441 -0.00706 86 8D-1 0.00116 0.01236 0.00172 0.00408 -0.01731 87 8D+2 0.00219 -0.01798 0.03004 -0.01885 0.01387 88 8D-2 -0.00305 0.03309 0.00572 0.01066 -0.00057 89 5 Cu 1S -0.00263 0.00109 0.00274 -0.00063 -0.00068 90 2S -0.03670 0.00476 -0.04666 0.08038 0.01747 91 3S -0.01554 0.02525 0.00941 0.00836 0.00516 92 4PX -0.00187 -0.00604 0.00409 0.00607 -0.00294 93 4PY -0.00252 0.00748 -0.00389 0.00224 0.01349 94 4PZ 0.00068 -0.00022 -0.01444 0.00392 0.00265 95 5PX 0.00272 0.00510 -0.00145 -0.00777 0.01021 96 5PY 0.00012 -0.00136 0.01147 -0.01155 0.00349 97 5PZ -0.00216 -0.00286 -0.00249 0.00955 -0.00326 98 6PX 0.00866 0.00232 -0.00181 0.00302 -0.02559 99 6PY 0.02177 0.00117 0.00636 -0.00689 0.01584 100 6PZ 0.00463 -0.00798 -0.00746 0.00138 0.00747 101 7D 0 0.00049 -0.02422 -0.04135 -0.02247 -0.01282 102 7D+1 0.00831 -0.04106 0.04347 -0.03310 0.00322 103 7D-1 0.02761 0.03241 0.10348 -0.09313 -0.01570 104 7D+2 0.01553 0.06390 0.00256 -0.08285 0.14309 105 7D-2 -0.00914 0.04973 -0.03517 0.05226 0.04621 106 8D 0 0.00256 -0.00854 -0.01481 -0.00665 -0.00386 107 8D+1 0.00139 -0.01341 0.01412 -0.01064 0.00094 108 8D-1 0.00488 0.01071 0.03520 -0.03157 -0.00526 109 8D+2 0.00371 0.02187 0.00089 -0.02770 0.04806 110 8D-2 -0.00226 0.01656 -0.01198 0.01709 0.01559 111 6 Cu 1S -0.00016 0.00057 0.00712 0.00129 0.00183 112 2S 0.00012 0.02688 -0.03168 0.00708 0.00993 113 3S 0.01218 0.00107 0.06437 0.00982 0.01057 114 4PX -0.00144 -0.00430 -0.00289 0.00403 0.00297 115 4PY -0.00090 -0.00660 0.01891 0.00181 -0.00199 116 4PZ 0.00529 0.00350 0.00360 -0.01213 -0.00903 117 5PX 0.00400 0.00601 -0.00555 -0.00845 0.00913 118 5PY 0.00927 0.03192 0.00516 0.01239 0.01488 119 5PZ -0.01659 -0.00291 -0.00530 0.02020 -0.00680 120 6PX -0.00977 -0.01209 -0.00306 -0.00234 0.00757 121 6PY -0.00310 -0.00320 0.00440 0.00007 0.00536 122 6PZ 0.02526 -0.00296 0.00141 -0.00820 0.02678 123 7D 0 -0.00262 -0.01305 0.05403 0.00021 -0.01280 124 7D+1 -0.00119 0.01574 -0.00866 0.00893 0.03096 125 7D-1 -0.00751 0.00698 -0.03116 -0.01490 -0.01576 126 7D+2 -0.00421 0.00821 0.08868 0.01376 0.05909 127 7D-2 0.00047 -0.00440 -0.01144 0.00188 -0.04575 128 8D 0 -0.00140 -0.00403 0.01807 0.00047 -0.00455 129 8D+1 -0.00065 0.00484 -0.00299 0.00358 0.01058 130 8D-1 -0.00365 0.00276 -0.01004 -0.00676 -0.00481 131 8D+2 -0.00127 0.00355 0.02974 0.00433 0.02045 132 8D-2 0.00049 -0.00202 -0.00380 0.00123 -0.01504 133 7 Cu 1S -0.00055 -0.00031 -0.00016 -0.00016 0.00001 134 2S 0.00354 -0.00364 -0.01054 -0.00314 -0.02279 135 3S -0.00696 -0.00422 -0.02237 -0.00515 -0.00955 136 4PX -0.00108 -0.00677 -0.00040 -0.00080 0.00800 137 4PY -0.00118 -0.00108 -0.00380 -0.00035 -0.00798 138 4PZ 0.00217 -0.00090 -0.00005 -0.00556 -0.00383 139 5PX 0.00108 0.01659 -0.00260 -0.00209 0.00392 140 5PY 0.00039 -0.00176 0.01307 -0.00180 0.00397 141 5PZ -0.00692 -0.00196 -0.00222 0.01912 0.00199 142 6PX 0.00014 -0.01689 -0.00746 -0.00400 0.00945 143 6PY 0.00036 0.00200 -0.00781 0.00134 -0.00771 144 6PZ -0.00542 -0.00262 -0.00319 -0.01198 -0.00776 145 7D 0 0.00349 -0.00587 -0.01517 -0.01999 -0.05127 146 7D+1 0.00347 0.00824 0.03276 0.00060 0.08672 147 7D-1 0.00581 0.01962 0.02416 -0.00914 -0.01978 148 7D+2 0.00017 -0.01755 0.01154 -0.00405 0.01359 149 7D-2 -0.00149 0.00867 0.03561 0.02097 0.00479 150 8D 0 0.00173 -0.00253 -0.00561 -0.00694 -0.01697 151 8D+1 0.00142 0.00345 0.01138 0.00053 0.02900 152 8D-1 0.00199 0.00698 0.00858 -0.00242 -0.00644 153 8D+2 0.00015 -0.00596 0.00337 -0.00140 0.00479 154 8D-2 -0.00103 0.00376 0.01259 0.00733 0.00174 155 8 Cu 1S -0.00045 0.00358 0.00159 -0.00021 0.00048 156 2S -0.01210 -0.05137 -0.00138 0.03080 0.01125 157 3S 0.01926 0.01819 0.00796 -0.00407 0.03571 158 4PX 0.00054 0.00615 0.00961 -0.00460 0.00256 159 4PY -0.00177 0.00691 -0.01132 0.00368 -0.01149 160 4PZ 0.00364 -0.00853 0.00035 -0.01094 0.00604 161 5PX 0.00127 0.00534 -0.00583 0.00597 0.02550 162 5PY 0.00520 -0.01227 0.01669 -0.00068 0.01086 163 5PZ -0.01198 -0.00046 -0.00473 0.01334 0.00821 164 6PX 0.01101 0.02390 0.00337 0.00338 -0.00994 165 6PY -0.01169 0.01130 0.01449 -0.01561 -0.00072 166 6PZ 0.01106 0.00622 -0.00423 0.01437 -0.02708 167 7D 0 0.00172 0.07874 0.03398 0.01226 -0.02411 168 7D+1 -0.00891 0.00117 0.00815 -0.00312 0.00184 169 7D-1 -0.00868 -0.00473 0.03844 0.02356 0.01379 170 7D+2 -0.00195 -0.06271 -0.03755 -0.01778 0.00190 171 7D-2 -0.00598 -0.09806 -0.07810 0.02078 -0.01036 172 8D 0 0.00004 0.02690 0.01139 0.00466 -0.00742 173 8D+1 -0.00405 0.00064 0.00313 -0.00198 -0.00048 174 8D-1 -0.00382 -0.00206 0.01305 0.00765 0.00362 175 8D+2 -0.00045 -0.02162 -0.01204 -0.00606 0.00089 176 8D-2 -0.00118 -0.03299 -0.02678 0.00759 -0.00409 177 9 C 1S 0.00003 0.00307 -0.00158 0.00135 0.00294 178 2S -0.00048 -0.00896 -0.00066 -0.00466 -0.00816 179 3S 0.00275 -0.00877 0.01153 -0.00221 -0.01096 180 4PX 0.00257 0.01493 0.00649 -0.00137 -0.00596 181 4PY 0.00015 -0.00454 0.00135 -0.00368 -0.00911 182 4PZ -0.00778 -0.00144 0.00012 0.01805 -0.00133 183 5PX -0.00067 0.00431 0.00017 -0.00401 0.00271 184 5PY 0.00133 0.00187 0.00908 0.00057 -0.00086 185 5PZ -0.00330 -0.00347 -0.00084 0.01129 -0.00078 186 10 O 1S 0.00000 -0.00253 0.00558 -0.00034 -0.00166 187 2S -0.00007 0.00609 -0.01235 0.00096 0.00347 188 3S 0.00033 0.00474 -0.01072 0.00057 0.00457 189 4PX -0.00247 -0.01218 -0.00697 0.00432 -0.04615 190 4PY -0.00024 0.00154 -0.00275 0.00196 -0.02478 191 4PZ 0.00778 0.00386 0.00082 -0.02105 -0.01081 192 5PX -0.00114 -0.00683 -0.00409 0.00368 -0.02161 193 5PY -0.00023 -0.00189 -0.00360 0.00013 -0.01070 194 5PZ 0.00477 0.00325 0.00040 -0.01425 -0.00459 11 12 13 14 15 11 6PY 0.05766 12 6PZ -0.02036 0.08822 13 7D 0 0.01993 0.04081 1.48677 14 7D+1 -0.07946 0.03396 -0.00339 1.49207 15 7D-1 -0.00800 0.17687 0.00711 0.00238 1.50318 16 7D+2 -0.10899 0.05194 -0.00314 0.01124 -0.00250 17 7D-2 0.04519 -0.08569 -0.00466 -0.00022 -0.00119 18 8D 0 0.00736 0.01285 0.48554 -0.00158 0.00195 19 8D+1 -0.02649 0.01080 -0.00164 0.48829 0.00139 20 8D-1 -0.00263 0.05923 0.00215 0.00118 0.49139 21 8D+2 -0.03574 0.01765 -0.00273 0.00335 -0.00025 22 8D-2 0.01580 -0.02852 -0.00216 0.00059 0.00002 23 2 Cu 1S 0.00017 0.00165 0.00002 -0.00293 -0.00386 24 2S 0.02563 0.01194 0.00001 -0.05417 -0.00644 25 3S 0.02913 0.03364 0.05096 -0.21960 0.03884 26 4PX 0.00632 -0.00175 0.01575 -0.00558 0.01325 27 4PY 0.00738 0.01697 -0.01313 0.01623 0.00015 28 4PZ 0.01996 0.01038 0.00332 0.01651 -0.01732 29 5PX -0.00927 -0.01079 -0.05381 0.05155 -0.03911 30 5PY 0.00715 0.00077 0.02597 -0.06562 -0.00637 31 5PZ 0.00247 0.01683 0.00918 -0.06581 0.05884 32 6PX 0.01068 0.00014 0.02518 0.01050 0.02535 33 6PY -0.01468 0.03525 0.01300 0.02520 0.05198 34 6PZ 0.02257 -0.00686 0.01063 -0.03412 -0.01372 35 7D 0 -0.06200 0.08309 0.03517 0.01060 -0.00961 36 7D+1 -0.04714 0.02511 0.00177 -0.01050 0.03684 37 7D-1 -0.01508 0.03642 -0.01422 0.03034 0.00022 38 7D+2 -0.07412 0.08895 -0.01499 -0.02363 -0.02585 39 7D-2 -0.01112 -0.00988 0.03834 -0.00717 -0.00363 40 8D 0 -0.02095 0.02802 0.00421 0.00457 -0.00170 41 8D+1 -0.01599 0.00733 -0.00236 -0.00284 0.00815 42 8D-1 -0.00507 0.01203 -0.00629 0.00672 -0.00229 43 8D+2 -0.02443 0.03058 -0.00475 -0.00568 -0.00321 44 8D-2 -0.00412 -0.00326 0.00866 -0.00176 0.00082 45 3 Cu 1S -0.00127 0.00119 0.00297 -0.00002 -0.00298 46 2S 0.02324 0.01285 0.05342 0.04144 -0.00865 47 3S -0.01455 0.05100 0.22377 0.24431 0.15503 48 4PX -0.01325 -0.00876 -0.01502 -0.00611 -0.00978 49 4PY 0.00697 0.00116 -0.01248 -0.01074 0.00225 50 4PZ 0.00694 0.00016 -0.00523 -0.02098 -0.01812 51 5PX -0.00849 0.00719 0.04958 0.05189 0.01090 52 5PY 0.00641 0.01213 0.03844 0.02099 0.00005 53 5PZ 0.00574 0.02284 0.07320 0.09537 0.08233 54 6PX 0.02742 -0.01611 -0.01625 0.00091 -0.00426 55 6PY 0.00889 -0.03105 -0.03331 -0.02897 -0.02013 56 6PZ -0.01293 0.00493 0.03121 0.01630 0.01793 57 7D 0 0.02591 0.00031 0.02578 -0.03028 -0.02546 58 7D+1 -0.05165 0.01200 -0.02192 -0.01541 -0.02974 59 7D-1 -0.04018 0.01970 -0.01926 -0.02528 0.01058 60 7D+2 -0.00005 0.00857 -0.01209 0.02376 -0.02774 61 7D-2 0.00852 0.00977 -0.03226 -0.00084 0.01381 62 8D 0 0.00831 0.00097 0.00494 -0.00538 -0.00396 63 8D+1 -0.01684 0.00406 -0.00338 -0.00487 -0.00697 64 8D-1 -0.01370 0.00577 -0.00508 -0.00560 -0.00019 65 8D+2 0.00006 0.00322 -0.00293 0.00539 -0.00553 66 8D-2 0.00332 0.00163 -0.00735 -0.00091 0.00150 67 4 Cu 1S -0.00246 0.00023 0.00029 -0.00281 -0.00179 68 2S 0.00817 0.00866 -0.02120 -0.00506 -0.01131 69 3S -0.01625 0.01408 -0.09131 0.03098 -0.08452 70 4PX -0.00122 0.01573 0.00798 -0.01535 0.01096 71 4PY 0.00546 0.00485 -0.00295 0.00912 -0.00044 72 4PZ 0.00233 -0.00578 0.01175 0.00692 -0.00745 73 5PX -0.00067 0.00121 -0.03895 0.04331 -0.05341 74 5PY 0.00978 -0.00397 0.01228 -0.02834 0.01658 75 5PZ -0.00051 0.01091 -0.02266 -0.00877 0.03204 76 6PX -0.01439 0.01893 0.01284 0.00763 0.01592 77 6PY -0.01999 0.00651 0.00803 0.02883 0.01768 78 6PZ -0.00397 -0.02621 -0.01675 0.00491 -0.05479 79 7D 0 -0.00002 0.11449 -0.00697 0.02983 -0.01103 80 7D+1 -0.04250 0.09307 0.03149 0.01274 -0.01327 81 7D-1 0.01276 0.08663 -0.02314 -0.02303 0.00687 82 7D+2 -0.03745 -0.03436 -0.00373 -0.00357 0.02267 83 7D-2 0.06546 -0.06597 0.00382 0.03370 -0.00243 84 8D 0 0.00032 0.03834 -0.00245 0.00489 0.00034 85 8D+1 -0.01422 0.03130 0.00624 0.00016 0.00016 86 8D-1 0.00454 0.02837 -0.00702 -0.00611 0.00126 87 8D+2 -0.01211 -0.01177 0.00011 -0.00162 0.00408 88 8D-2 0.02261 -0.02212 0.00073 0.00854 -0.00038 89 5 Cu 1S 0.00095 -0.00304 0.00438 0.00035 -0.00055 90 2S 0.02535 0.01168 0.05821 0.01293 -0.03504 91 3S 0.03967 -0.03074 0.17330 -0.02259 -0.18715 92 4PX 0.01944 -0.00352 -0.00312 -0.01504 0.00909 93 4PY 0.01503 -0.00881 -0.01923 0.00794 0.01532 94 4PZ -0.00796 0.00615 -0.00238 -0.00501 -0.02336 95 5PX -0.00464 0.00187 0.00601 0.04816 -0.03404 96 5PY 0.00965 -0.00228 0.07203 -0.02472 -0.05401 97 5PZ -0.01268 0.01996 -0.01698 0.02816 0.10823 98 6PX 0.02497 -0.00657 0.00399 -0.04526 0.01650 99 6PY -0.00040 -0.03302 -0.03431 -0.00176 -0.04889 100 6PZ -0.00587 -0.01428 -0.04360 -0.00542 -0.01415 101 7D 0 0.00883 -0.03395 0.03873 -0.00268 0.01695 102 7D+1 -0.00215 0.01733 0.00156 0.02694 -0.01497 103 7D-1 0.00485 0.09207 0.01694 -0.01717 -0.03085 104 7D+2 -0.07963 -0.01442 0.02914 -0.00907 -0.00180 105 7D-2 -0.02886 -0.03456 -0.01736 -0.03015 0.01168 106 8D 0 0.00354 -0.01266 0.00739 -0.00183 0.00092 107 8D+1 -0.00039 0.00561 0.00168 0.00439 -0.00358 108 8D-1 0.00113 0.03134 0.00495 -0.00474 -0.00877 109 8D+2 -0.02660 -0.00483 0.00437 0.00094 -0.00325 110 8D-2 -0.01003 -0.01144 -0.00344 -0.00266 0.00307 111 6 Cu 1S -0.00109 0.00036 -0.00094 0.00121 -0.00078 112 2S 0.01284 0.00646 -0.04287 0.01761 0.00970 113 3S 0.02648 0.00587 -0.13896 0.00252 0.06178 114 4PX 0.00391 -0.00804 0.00379 -0.00009 -0.00133 115 4PY -0.00478 -0.00450 0.01598 -0.00324 -0.00715 116 4PZ -0.00189 0.01809 0.00315 -0.00336 0.00423 117 5PX -0.00121 -0.00899 -0.02043 0.01671 -0.01487 118 5PY 0.03832 0.00737 -0.11691 -0.00611 0.03123 119 5PZ 0.00021 0.02550 0.00672 0.02919 0.02842 120 6PX -0.02451 0.02217 0.00145 0.02533 0.01343 121 6PY -0.00289 0.00950 0.01138 -0.01003 -0.01030 122 6PZ -0.00496 -0.03733 -0.02342 -0.00482 -0.03115 123 7D 0 -0.00712 -0.00320 -0.01383 -0.00625 0.02260 124 7D+1 -0.01913 0.01862 -0.00207 -0.01698 0.00316 125 7D-1 0.01622 -0.02385 0.01769 0.00203 0.03825 126 7D+2 -0.04483 0.01187 0.00396 -0.00041 0.01555 127 7D-2 0.01095 -0.01001 0.00463 0.00821 0.00306 128 8D 0 -0.00249 -0.00078 -0.00317 -0.00161 0.00472 129 8D+1 -0.00690 0.00703 -0.00091 -0.00497 -0.00011 130 8D-1 0.00475 -0.00869 0.00387 0.00143 0.00710 131 8D+2 -0.01507 0.00371 0.00299 -0.00045 0.00304 132 8D-2 0.00199 -0.00328 0.00016 0.00159 0.00019 133 7 Cu 1S -0.00116 -0.00013 0.00169 -0.00252 -0.00338 134 2S -0.00610 -0.01030 0.00849 -0.01507 -0.02603 135 3S -0.00615 -0.00422 0.00744 -0.03374 -0.04227 136 4PX -0.00925 -0.00394 0.00125 -0.00117 0.00002 137 4PY 0.00445 -0.00502 0.00186 -0.00118 -0.00106 138 4PZ -0.00558 0.01150 -0.00089 -0.00143 -0.00314 139 5PX 0.00139 0.00174 -0.00579 0.00466 -0.01010 140 5PY 0.00143 0.00194 0.00465 -0.00786 -0.00608 141 5PZ 0.00068 0.00169 0.00310 -0.00045 0.01397 142 6PX -0.00834 -0.00731 0.00614 -0.01373 -0.00628 143 6PY 0.00657 -0.00621 -0.01551 -0.00444 -0.00023 144 6PZ -0.00619 0.01968 0.02136 0.01280 0.00181 145 7D 0 0.02803 -0.03479 -0.00136 0.00651 0.00628 146 7D+1 -0.02978 -0.01045 0.00495 -0.00342 -0.00018 147 7D-1 0.00965 0.08036 0.00682 -0.00108 -0.00668 148 7D+2 -0.04260 0.03349 -0.00241 0.00593 -0.00163 149 7D-2 0.05571 -0.02160 0.00386 -0.00678 -0.00589 150 8D 0 0.00907 -0.01168 0.00014 0.00263 0.00290 151 8D+1 -0.00968 -0.00341 0.00194 -0.00095 -0.00046 152 8D-1 0.00329 0.02657 0.00309 -0.00092 -0.00262 153 8D+2 -0.01427 0.01123 -0.00119 0.00256 -0.00054 154 8D-2 0.01842 -0.00702 0.00289 -0.00293 -0.00365 155 8 Cu 1S -0.00088 -0.00169 0.00056 -0.00365 0.00091 156 2S 0.02442 0.00355 -0.02119 -0.04161 0.01809 157 3S -0.00008 -0.03927 -0.17453 -0.08426 -0.05279 158 4PX -0.00701 0.00984 0.01484 0.00121 0.00354 159 4PY 0.01204 -0.01204 0.00830 0.00556 -0.00239 160 4PZ -0.01499 0.01131 -0.00520 0.01261 0.00229 161 5PX 0.00142 -0.00196 -0.06770 -0.01659 -0.02616 162 5PY 0.01190 -0.00929 -0.03612 -0.04237 0.00252 163 5PZ -0.01179 0.01480 0.02837 -0.01119 0.02542 164 6PX 0.00807 -0.00300 -0.02528 -0.01306 -0.02408 165 6PY -0.00745 0.03856 0.04181 0.02959 0.02060 166 6PZ 0.02507 0.01302 0.00157 0.00519 0.03857 167 7D 0 0.05521 0.00696 -0.03171 -0.01201 -0.00205 168 7D+1 -0.03023 -0.02726 -0.01812 0.03978 0.03067 169 7D-1 0.00443 0.02386 -0.00452 0.02958 -0.00131 170 7D+2 -0.00114 -0.00827 0.00749 -0.00351 0.00774 171 7D-2 -0.00911 -0.04643 0.00561 0.00811 0.00056 172 8D 0 0.01818 0.00311 -0.00951 -0.00255 -0.00028 173 8D+1 -0.00992 -0.00898 -0.00288 0.00716 0.00838 174 8D-1 0.00189 0.00854 0.00043 0.00595 -0.00116 175 8D+2 0.00008 -0.00360 0.00119 -0.00102 0.00066 176 8D-2 -0.00342 -0.01422 -0.00010 0.00013 0.00078 177 9 C 1S 0.00643 0.00149 -0.00365 0.00209 -0.00133 178 2S -0.01238 -0.00367 0.01107 -0.00395 0.00109 179 3S -0.01338 -0.00554 -0.00750 -0.02181 0.01942 180 4PX 0.03783 0.00680 -0.01904 0.00846 0.00248 181 4PY -0.01551 -0.00596 0.00264 -0.00050 0.00338 182 4PZ 0.01804 -0.00308 -0.00382 0.00698 0.01048 183 5PX 0.00442 0.00026 0.01326 0.00542 -0.00290 184 5PY 0.00248 -0.00028 -0.00536 -0.00191 0.00576 185 5PZ 0.00202 0.00385 -0.00034 -0.00601 0.00807 186 10 O 1S 0.00537 0.00072 0.00067 -0.00031 0.00051 187 2S -0.00910 -0.00110 -0.00187 0.00063 -0.00127 188 3S -0.01694 -0.00274 -0.00220 0.00268 -0.00423 189 4PX 0.02032 -0.00290 0.01526 -0.00659 -0.00144 190 4PY 0.04713 0.00252 0.00172 -0.00145 -0.00440 191 4PZ 0.02099 -0.03085 0.00294 -0.00686 -0.00731 192 5PX 0.00950 -0.00092 0.00415 -0.00563 -0.00033 193 5PY 0.01342 -0.00035 0.00108 0.00130 -0.00249 194 5PZ 0.00884 -0.01497 0.00140 -0.00150 -0.00689 16 17 18 19 20 16 7D+2 1.49728 17 7D-2 -0.00632 1.49981 18 8D 0 -0.00233 -0.00266 0.15877 19 8D+1 0.00312 0.00076 -0.00070 0.16002 20 8D-1 -0.00009 0.00025 0.00056 0.00060 0.16084 21 8D+2 0.48632 -0.00276 -0.00133 0.00091 0.00016 22 8D-2 -0.00226 0.49039 -0.00109 0.00049 0.00026 23 2 Cu 1S 0.00345 -0.00137 0.00029 -0.00142 -0.00087 24 2S 0.04310 -0.01712 -0.00047 -0.01786 -0.00238 25 3S 0.08334 -0.10656 0.01716 -0.07521 0.01314 26 4PX -0.00801 -0.00341 0.00432 -0.00001 0.00249 27 4PY -0.00826 -0.00258 -0.00309 0.00275 0.00316 28 4PZ -0.00439 0.01602 0.00363 0.00166 -0.00165 29 5PX 0.02506 0.03212 -0.01767 0.01786 -0.01287 30 5PY 0.01502 0.00270 0.00819 -0.02166 -0.00207 31 5PZ 0.03390 -0.06571 0.00353 -0.02157 0.01962 32 6PX -0.04333 0.01563 0.00876 0.00372 0.00872 33 6PY 0.00060 -0.03894 0.00355 0.00837 0.01756 34 6PZ -0.02850 0.00595 0.00394 -0.01165 -0.00498 35 7D 0 -0.00725 0.03472 0.00456 0.00215 -0.00163 36 7D+1 -0.02239 -0.00941 -0.00236 -0.00360 0.00730 37 7D-1 -0.03029 -0.00450 -0.00476 0.00596 0.00090 38 7D+2 0.01540 0.00034 -0.00537 -0.00364 -0.00426 39 7D-2 0.00396 0.00235 0.00829 -0.00215 -0.00104 40 8D 0 -0.00011 0.00563 -0.00093 0.00105 -0.00006 41 8D+1 -0.00438 -0.00219 -0.00177 -0.00097 0.00103 42 8D-1 -0.00631 0.00040 -0.00212 0.00087 -0.00047 43 8D+2 0.00256 -0.00249 -0.00172 -0.00050 0.00038 44 8D-2 0.00354 0.00027 0.00141 -0.00048 0.00033 45 3 Cu 1S -0.00096 -0.00039 0.00106 0.00006 -0.00090 46 2S -0.00558 0.02259 0.01725 0.01358 -0.00350 47 3S 0.04664 0.06792 0.07500 0.08346 0.05244 48 4PX 0.00149 -0.00458 -0.00469 0.00058 -0.00194 49 4PY -0.00171 -0.00300 -0.00321 -0.00230 0.00301 50 4PZ -0.00439 -0.01033 0.00022 -0.00468 -0.00352 51 5PX 0.02839 0.02367 0.01634 0.01813 0.00321 52 5PY -0.02717 0.01145 0.01301 0.00702 0.00048 53 5PZ 0.02092 0.01938 0.02492 0.03231 0.02774 54 6PX -0.03815 -0.01204 -0.00460 0.00048 -0.00270 55 6PY 0.01944 0.03627 -0.00968 -0.00975 -0.00721 56 6PZ 0.02840 -0.02141 0.01097 0.00559 0.00614 57 7D 0 -0.01252 -0.03664 0.00266 -0.00747 -0.00491 58 7D+1 0.02319 -0.00338 -0.00527 -0.00438 -0.00570 59 7D-1 -0.02484 0.00880 -0.00597 -0.00480 0.00222 60 7D+2 -0.00211 -0.00640 -0.00413 0.00484 -0.00517 61 7D-2 -0.00799 -0.00227 -0.00645 -0.00013 0.00314 62 8D 0 -0.00314 -0.00954 -0.00030 -0.00090 -0.00015 63 8D+1 0.00650 -0.00033 -0.00044 -0.00135 -0.00093 64 8D-1 -0.00767 0.00092 -0.00157 -0.00065 -0.00046 65 8D+2 -0.00277 -0.00144 -0.00103 0.00077 -0.00050 66 8D-2 -0.00397 -0.00263 -0.00101 -0.00025 -0.00001 67 4 Cu 1S -0.00283 -0.00422 -0.00008 -0.00067 -0.00071 68 2S -0.02951 -0.04550 -0.00811 -0.00147 -0.00323 69 3S -0.01196 -0.24392 -0.03096 0.01070 -0.02863 70 4PX -0.00383 0.01837 0.00030 -0.00156 0.00249 71 4PY 0.01716 -0.00191 -0.00020 0.00208 0.00032 72 4PZ -0.00757 0.01110 0.00301 0.00398 -0.00344 73 5PX 0.01686 -0.08605 -0.01306 0.01422 -0.01765 74 5PY -0.05519 0.04626 0.00431 -0.00952 0.00567 75 5PZ 0.01897 -0.05229 -0.00696 -0.00248 0.01087 76 6PX 0.02514 -0.01979 0.00399 0.00209 0.00556 77 6PY 0.04764 0.03138 0.00194 0.00999 0.00627 78 6PZ 0.01296 0.02704 -0.00522 0.00218 -0.01844 79 7D 0 0.00137 0.00272 -0.00272 0.00322 -0.00124 80 7D+1 -0.00415 0.02479 0.00387 0.00133 -0.00169 81 7D-1 0.02847 -0.00098 -0.00558 -0.00596 0.00227 82 7D+2 0.02736 0.03290 -0.00051 0.00073 0.00388 83 7D-2 0.03076 0.00059 0.00119 0.00672 -0.00135 84 8D 0 0.00229 0.00039 -0.00090 -0.00061 0.00089 85 8D+1 -0.00182 0.00471 -0.00010 -0.00088 0.00095 86 8D-1 0.00629 0.00002 -0.00163 -0.00148 0.00042 87 8D+2 0.00336 0.00921 0.00031 0.00007 0.00013 88 8D-2 0.00482 0.00040 0.00027 0.00132 -0.00031 89 5 Cu 1S 0.00192 -0.00365 0.00171 -0.00002 -0.00078 90 2S 0.00231 -0.01861 0.02062 0.00555 -0.00999 91 3S -0.05391 -0.04400 0.06036 -0.00696 -0.06280 92 4PX 0.00579 0.00848 -0.00062 -0.00592 0.00121 93 4PY 0.00100 -0.00536 -0.00527 0.00115 -0.00006 94 4PZ -0.01325 0.00641 -0.00241 -0.00068 -0.00330 95 5PX 0.00372 -0.01479 0.00164 0.01578 -0.01107 96 5PY -0.02054 0.00140 0.02368 -0.00808 -0.01765 97 5PZ 0.04122 -0.00949 -0.00635 0.00929 0.03603 98 6PX -0.03430 0.01712 0.00193 -0.01536 0.00594 99 6PY -0.00350 0.01045 -0.01130 0.00018 -0.01634 100 6PZ 0.00303 0.03345 -0.01504 -0.00165 -0.00469 101 7D 0 0.03533 -0.01691 0.00692 -0.00147 0.00359 102 7D+1 -0.02075 -0.03296 0.00030 0.00571 -0.00281 103 7D-1 0.00431 0.01459 0.00573 -0.00439 -0.00739 104 7D+2 -0.00434 0.00708 0.00457 0.00070 -0.00107 105 7D-2 0.00655 0.01206 -0.00301 -0.00413 0.00248 106 8D 0 0.00814 -0.00264 0.00052 -0.00078 -0.00035 107 8D+1 -0.00624 -0.00641 0.00048 0.00042 -0.00046 108 8D-1 0.00223 0.00529 0.00166 -0.00115 -0.00196 109 8D+2 -0.00268 0.00049 -0.00022 0.00154 -0.00122 110 8D-2 0.00210 0.00159 -0.00025 0.00107 0.00057 111 6 Cu 1S 0.00126 -0.00187 0.00014 0.00025 -0.00047 112 2S -0.03844 -0.01850 -0.01352 0.00632 0.00285 113 3S -0.23910 -0.02064 -0.04619 0.00112 0.02075 114 4PX 0.00142 0.00557 0.00123 -0.00002 -0.00050 115 4PY 0.02105 0.00268 0.00479 -0.00149 -0.00208 116 4PZ 0.00601 0.00066 0.00110 -0.00150 0.00290 117 5PX 0.03418 0.00156 -0.00789 0.00579 -0.00506 118 5PY -0.18780 -0.04699 -0.03840 -0.00161 0.01053 119 5PZ -0.01978 -0.02556 0.00275 0.01037 0.01078 120 6PX 0.01993 -0.00720 -0.00079 0.00856 0.00423 121 6PY 0.00223 -0.02502 0.00329 -0.00345 -0.00352 122 6PZ 0.01172 0.01375 -0.00788 -0.00092 -0.01065 123 7D 0 -0.00360 0.00901 -0.00438 -0.00194 0.00534 124 7D+1 0.00498 0.00978 -0.00148 -0.00577 0.00040 125 7D-1 0.01298 0.00033 0.00369 0.00086 0.00803 126 7D+2 -0.02664 0.01638 0.00148 -0.00029 0.00330 127 7D-2 0.00223 0.05455 0.00026 0.00221 0.00099 128 8D 0 0.00008 0.00315 -0.00095 -0.00051 0.00089 129 8D+1 0.00147 0.00126 -0.00056 -0.00166 -0.00022 130 8D-1 0.00179 -0.00127 0.00055 0.00053 0.00082 131 8D+2 -0.00491 0.00416 0.00105 -0.00020 0.00039 132 8D-2 0.00072 0.00933 -0.00036 0.00036 0.00006 133 7 Cu 1S 0.00082 -0.00575 0.00056 -0.00080 -0.00110 134 2S 0.00706 -0.04705 0.00407 -0.00677 -0.01067 135 3S -0.01118 -0.08598 0.00397 -0.01304 -0.01597 136 4PX -0.00072 -0.00261 0.00037 -0.00016 0.00052 137 4PY 0.00133 -0.00172 0.00060 0.00023 0.00004 138 4PZ -0.00004 0.00015 -0.00101 -0.00075 -0.00141 139 5PX 0.00278 -0.00454 -0.00181 0.00157 -0.00383 140 5PY -0.00323 -0.00397 0.00226 -0.00329 -0.00254 141 5PZ 0.00372 -0.01164 0.00096 -0.00059 0.00471 142 6PX 0.01619 0.00529 0.00177 -0.00429 -0.00178 143 6PY -0.02020 -0.01342 -0.00484 -0.00124 0.00005 144 6PZ -0.00612 -0.00610 0.00658 0.00400 0.00069 145 7D 0 0.00098 0.00274 -0.00079 0.00276 0.00430 146 7D+1 0.00319 -0.00730 0.00261 -0.00119 -0.00033 147 7D-1 -0.00138 -0.00527 0.00333 -0.00171 -0.00187 148 7D+2 0.00506 0.00282 -0.00153 0.00360 -0.00091 149 7D-2 0.00520 -0.00817 0.00296 -0.00283 -0.00485 150 8D 0 0.00075 0.00181 -0.00007 0.00111 0.00174 151 8D+1 0.00141 -0.00388 0.00097 -0.00035 -0.00025 152 8D-1 0.00051 -0.00295 0.00138 -0.00081 -0.00079 153 8D+2 0.00253 0.00128 -0.00069 0.00143 -0.00029 154 8D-2 0.00408 -0.00385 0.00156 -0.00119 -0.00222 155 8 Cu 1S 0.00144 -0.00144 0.00007 -0.00126 0.00015 156 2S 0.04348 0.02842 -0.00680 -0.01378 0.00696 157 3S 0.20457 0.24076 -0.06073 -0.02892 -0.01717 158 4PX -0.01032 -0.02599 0.00237 0.00068 0.00037 159 4PY -0.01431 -0.00871 0.00123 0.00164 -0.00167 160 4PZ -0.00032 0.00228 -0.00211 0.00520 0.00121 161 5PX 0.09258 0.10037 -0.02302 -0.00548 -0.00824 162 5PY 0.01890 0.03818 -0.01241 -0.01462 0.00096 163 5PZ 0.00573 -0.02686 0.00983 -0.00300 0.00915 164 6PX 0.00579 -0.00360 -0.00828 -0.00497 -0.00812 165 6PY 0.00192 0.00230 0.01380 0.00826 0.00661 166 6PZ -0.04567 -0.01935 0.00140 0.00146 0.01344 167 7D 0 0.00267 0.00800 -0.00891 -0.00428 -0.00077 168 7D+1 0.00171 0.01388 -0.00452 0.00731 0.00734 169 7D-1 0.00572 0.00613 -0.00034 0.00487 -0.00212 170 7D+2 0.02261 -0.04920 0.00169 0.00028 0.00178 171 7D-2 -0.04465 -0.01265 -0.00055 0.00184 0.00064 172 8D 0 -0.00108 0.00150 -0.00260 -0.00094 -0.00012 173 8D+1 -0.00045 0.00230 -0.00046 0.00043 0.00185 174 8D-1 0.00169 0.00104 0.00053 0.00030 -0.00092 175 8D+2 0.00435 -0.00973 0.00012 0.00013 -0.00006 176 8D-2 -0.01169 -0.00638 -0.00085 -0.00023 0.00043 177 9 C 1S -0.00079 -0.00536 -0.00143 0.00064 -0.00010 178 2S 0.00786 0.01180 0.00358 -0.00105 -0.00013 179 3S -0.05736 0.02111 -0.00252 -0.00727 0.00573 180 4PX -0.01272 -0.00059 -0.00633 0.00308 0.00079 181 4PY 0.00092 0.01131 0.00084 -0.00030 0.00104 182 4PZ -0.00599 -0.00458 -0.00083 0.00257 0.00441 183 5PX 0.01680 0.01355 0.00456 0.00183 -0.00093 184 5PY -0.01801 0.00507 -0.00165 -0.00057 0.00176 185 5PZ 0.01237 0.00474 0.00003 -0.00206 0.00304 186 10 O 1S 0.00006 0.00146 0.00015 0.00004 0.00030 187 2S -0.00044 -0.00380 -0.00042 -0.00007 -0.00065 188 3S 0.00349 -0.00904 -0.00054 0.00052 -0.00151 189 4PX 0.00857 0.00192 0.00527 -0.00257 -0.00053 190 4PY 0.00271 -0.00877 0.00071 -0.00004 -0.00154 191 4PZ 0.00519 0.00424 0.00049 -0.00275 -0.00291 192 5PX -0.00031 -0.00440 0.00144 -0.00203 -0.00014 193 5PY 0.00581 -0.00451 0.00036 0.00054 -0.00077 194 5PZ -0.00127 0.00066 0.00017 -0.00070 -0.00270 21 22 23 24 25 21 8D+2 0.15814 22 8D-2 -0.00096 0.16059 23 2 Cu 1S 0.00126 -0.00067 2.01145 24 2S 0.01572 -0.00308 0.01755 0.38642 25 3S 0.02934 -0.03448 0.01037 0.23192 0.39904 26 4PX -0.00324 -0.00014 0.00538 0.03741 -0.06983 27 4PY -0.00348 -0.00262 0.00101 0.00325 -0.01299 28 4PZ -0.00147 0.00313 -0.00354 -0.02307 0.04590 29 5PX 0.00800 0.01071 -0.00371 -0.05087 -0.10403 30 5PY 0.00451 0.00092 -0.00051 0.00059 -0.00217 31 5PZ 0.01163 -0.02123 0.00237 0.02938 0.06138 32 6PX -0.01446 0.00595 -0.00149 0.01430 -0.02236 33 6PY 0.00045 -0.01311 0.00045 -0.01942 -0.01396 34 6PZ -0.00895 0.00260 0.00068 -0.00040 0.01872 35 7D 0 -0.00225 0.00570 -0.00038 0.00037 0.02006 36 7D+1 -0.00419 -0.00345 0.00115 0.02265 0.16023 37 7D-1 -0.00696 0.00009 -0.00029 -0.00021 0.01718 38 7D+2 0.00238 -0.00072 -0.00160 -0.02159 -0.12516 39 7D-2 0.00288 0.00067 -0.00071 -0.00522 -0.02231 40 8D 0 0.00002 -0.00006 -0.00018 -0.00087 0.00601 41 8D+1 -0.00041 -0.00089 0.00030 0.00169 0.05005 42 8D-1 -0.00109 0.00065 -0.00019 0.00036 0.00575 43 8D+2 -0.00003 -0.00105 -0.00057 -0.00177 -0.03889 44 8D-2 0.00170 0.00009 -0.00023 -0.00215 -0.00769 45 3 Cu 1S -0.00033 -0.00028 -0.00226 -0.00574 -0.01001 46 2S -0.00229 0.00807 -0.00663 0.14441 0.08087 47 3S 0.01377 0.02247 -0.00556 -0.09654 -0.17937 48 4PX 0.00151 -0.00098 -0.00402 -0.04919 -0.02882 49 4PY -0.00056 -0.00021 0.00031 0.00746 0.00867 50 4PZ -0.00111 -0.00291 -0.00115 -0.00269 -0.01086 51 5PX 0.01026 0.00873 -0.00227 0.09049 -0.00245 52 5PY -0.00965 0.00434 0.00090 -0.00956 -0.00817 53 5PZ 0.00648 0.00642 -0.00194 -0.01874 -0.02659 54 6PX -0.01177 -0.00379 -0.00281 -0.00744 -0.04806 55 6PY 0.00599 0.01191 0.00010 0.00802 0.01213 56 6PZ 0.00905 -0.00777 0.00143 -0.03184 -0.00899 57 7D 0 -0.00387 -0.00865 -0.00259 -0.02707 -0.15787 58 7D+1 0.00647 0.00068 -0.00521 -0.05065 -0.09192 59 7D-1 -0.00703 0.00249 0.00121 0.00748 0.00346 60 7D+2 -0.00353 -0.00129 0.00030 0.04218 0.19191 61 7D-2 -0.00372 -0.00249 0.00136 -0.00020 -0.01818 62 8D 0 -0.00093 -0.00202 -0.00116 -0.00660 -0.05235 63 8D+1 0.00174 0.00049 -0.00163 -0.01808 -0.03229 64 8D-1 -0.00214 0.00019 0.00044 0.00222 0.00076 65 8D+2 -0.00185 -0.00022 0.00074 0.01432 0.06598 66 8D-2 -0.00169 -0.00142 0.00040 0.00116 -0.00525 67 4 Cu 1S -0.00067 -0.00170 0.00096 -0.00054 -0.00199 68 2S -0.01134 -0.01507 -0.00044 -0.07761 -0.02224 69 3S -0.00372 -0.08255 -0.00115 0.01874 0.03921 70 4PX 0.00249 0.00248 0.00217 -0.00706 0.01494 71 4PY 0.00500 0.00056 -0.00148 -0.00432 -0.00169 72 4PZ -0.00110 0.00242 -0.00066 0.00586 -0.00800 73 5PX 0.00576 -0.02812 0.00030 0.02973 0.01255 74 5PY -0.01809 0.01603 -0.00017 -0.00404 -0.01557 75 5PZ 0.00613 -0.01725 -0.00011 -0.01560 -0.00094 76 6PX 0.00802 -0.00650 0.00083 0.01820 0.03071 77 6PY 0.01551 0.01060 0.00035 -0.02644 -0.02595 78 6PZ 0.00369 0.00909 -0.00062 0.00039 -0.00705 79 7D 0 0.00161 0.00031 0.00233 0.01275 0.09225 80 7D+1 0.00013 0.00437 0.00306 0.00239 0.17646 81 7D-1 0.00554 -0.00076 -0.00076 -0.02268 0.02643 82 7D+2 0.00518 0.00573 -0.00230 -0.01640 -0.09017 83 7D-2 0.00386 -0.00084 0.00358 0.03747 0.08343 84 8D 0 0.00116 -0.00007 0.00066 0.00567 0.03201 85 8D+1 -0.00010 0.00030 0.00092 0.00096 0.05912 86 8D-1 0.00080 -0.00012 -0.00023 -0.00753 0.00859 87 8D+2 -0.00013 0.00133 -0.00072 -0.00474 -0.02980 88 8D-2 -0.00048 -0.00018 0.00100 0.01473 0.02995 89 5 Cu 1S 0.00045 -0.00102 0.00100 -0.00055 0.00033 90 2S 0.00169 -0.00470 -0.00055 -0.04320 0.02994 91 3S -0.01791 -0.01387 0.00043 0.03178 0.04569 92 4PX 0.00103 0.00350 0.00121 -0.01094 0.01481 93 4PY -0.00254 -0.00016 0.00030 -0.00188 -0.00683 94 4PZ -0.00291 0.00065 -0.00251 0.00194 -0.02166 95 5PX 0.00187 -0.00430 0.00037 0.03086 0.00507 96 5PY -0.00714 0.00050 -0.00011 0.00580 0.00571 97 5PZ 0.01337 -0.00342 -0.00056 -0.02058 -0.01949 98 6PX -0.01088 0.00643 0.00127 0.00033 0.01964 99 6PY -0.00131 0.00331 -0.00039 0.00716 -0.00103 100 6PZ 0.00075 0.01156 -0.00069 -0.02362 -0.02494 101 7D 0 0.00859 -0.00223 -0.00366 -0.03436 -0.06287 102 7D+1 -0.00393 -0.00583 0.00434 0.03330 0.15925 103 7D-1 0.00307 0.00272 0.00187 0.01456 0.04340 104 7D+2 -0.00269 -0.00077 -0.00283 0.00686 -0.15349 105 7D-2 0.00036 0.00229 -0.00002 -0.00973 0.01188 106 8D 0 0.00168 0.00032 -0.00114 -0.01344 -0.02147 107 8D+1 -0.00110 -0.00041 0.00130 0.01097 0.05391 108 8D-1 0.00130 0.00104 0.00060 0.00577 0.01444 109 8D+2 -0.00129 -0.00087 -0.00096 0.00223 -0.05130 110 8D-2 0.00010 -0.00002 0.00000 -0.00314 0.00366 111 6 Cu 1S 0.00097 -0.00060 -0.00201 -0.00406 -0.00975 112 2S -0.01070 -0.00588 -0.00506 0.12233 0.10066 113 3S -0.07919 -0.00622 -0.00754 -0.03997 -0.11949 114 4PX -0.00017 0.00297 -0.00224 -0.02417 -0.01898 115 4PY 0.00513 0.00116 -0.00286 -0.04013 -0.01744 116 4PZ 0.00178 0.00014 0.00246 0.03046 0.01804 117 5PX 0.01076 0.00093 -0.00058 0.05695 -0.00395 118 5PY -0.06104 -0.01413 -0.00223 0.09456 0.00653 119 5PZ -0.00682 -0.00887 0.00125 -0.07187 -0.00069 120 6PX 0.00612 -0.00391 -0.00047 -0.03680 -0.04368 121 6PY 0.00024 -0.00900 0.00036 -0.01417 -0.00705 122 6PZ 0.00320 0.00372 0.00012 0.02693 0.02785 123 7D 0 -0.00015 0.00288 0.00083 -0.00686 -0.00962 124 7D+1 0.00063 0.00136 -0.00098 -0.03123 -0.13360 125 7D-1 0.00236 -0.00022 0.00130 -0.02129 -0.07956 126 7D+2 -0.00766 0.00309 0.00267 0.00580 0.04716 127 7D-2 -0.00042 0.01135 0.00061 0.01296 0.08008 128 8D 0 0.00035 0.00101 0.00036 -0.00332 -0.00438 129 8D+1 0.00018 -0.00021 -0.00062 -0.01154 -0.04509 130 8D-1 -0.00005 -0.00052 0.00025 -0.00510 -0.02569 131 8D+2 -0.00123 0.00064 0.00104 0.00435 0.01639 132 8D-2 -0.00016 0.00091 0.00055 0.00145 0.02432 133 7 Cu 1S 0.00030 -0.00186 0.00100 -0.00056 0.00034 134 2S 0.00274 -0.01895 -0.00056 -0.04329 0.03009 135 3S -0.00313 -0.03146 0.00043 0.03138 0.04543 136 4PX -0.00086 -0.00079 0.00251 -0.00698 0.02713 137 4PY 0.00098 0.00009 0.00122 0.00095 0.00172 138 4PZ -0.00003 0.00059 -0.00028 0.00882 -0.00055 139 5PX 0.00097 -0.00214 0.00066 0.03109 0.01596 140 5PY -0.00095 -0.00181 0.00010 0.00585 0.01343 141 5PZ 0.00151 -0.00432 -0.00004 -0.02020 -0.00063 142 6PX 0.00469 0.00185 0.00137 0.01620 0.03040 143 6PY -0.00616 -0.00390 -0.00033 0.01836 0.00668 144 6PZ -0.00204 -0.00177 -0.00055 0.00354 -0.00649 145 7D 0 0.00038 0.00139 0.00297 0.02548 0.07323 146 7D+1 0.00300 -0.00448 0.00288 0.00274 0.15244 147 7D-1 0.00104 -0.00385 -0.00066 0.01612 -0.04139 148 7D+2 0.00366 0.00120 -0.00329 -0.01741 -0.13523 149 7D-2 0.00403 -0.00464 -0.00394 -0.03774 -0.07829 150 8D 0 0.00030 0.00080 0.00090 0.00945 0.02469 151 8D+1 0.00109 -0.00203 0.00093 0.00048 0.05099 152 8D-1 0.00069 -0.00172 -0.00029 0.00463 -0.01349 153 8D+2 0.00150 0.00054 -0.00101 -0.00566 -0.04579 154 8D-2 0.00214 -0.00198 -0.00123 -0.01436 -0.02667 155 8 Cu 1S 0.00051 -0.00048 0.00081 -0.00233 -0.00603 156 2S 0.01402 0.00922 -0.00183 -0.12266 0.00664 157 3S 0.06799 0.08094 0.00335 -0.06571 -0.01995 158 4PX -0.00115 -0.00573 0.00109 -0.01029 0.01229 159 4PY -0.00423 -0.00001 0.00035 0.00232 0.00589 160 4PZ 0.00035 0.00070 -0.00078 0.00500 -0.00956 161 5PX 0.03165 0.03385 0.00019 0.01040 0.02029 162 5PY 0.00579 0.01347 0.00021 -0.00318 -0.00923 163 5PZ 0.00254 -0.00880 -0.00019 -0.00470 -0.00797 164 6PX 0.00288 -0.00157 0.00088 0.01614 0.01025 165 6PY 0.00079 0.00074 -0.00072 0.01382 0.00246 166 6PZ -0.01404 -0.00670 -0.00022 -0.01511 -0.00705 167 7D 0 -0.00096 0.00035 0.00037 -0.00046 -0.00947 168 7D+1 0.00049 0.00389 0.00542 0.03878 0.06806 169 7D-1 0.00293 0.00125 0.00004 -0.00384 0.00361 170 7D+2 0.00208 -0.01038 -0.00491 -0.04091 -0.06678 171 7D-2 -0.01229 -0.00387 -0.00085 -0.00806 -0.03540 172 8D 0 -0.00097 -0.00029 0.00014 0.00019 -0.00255 173 8D+1 -0.00021 0.00053 0.00176 0.01630 0.02597 174 8D-1 0.00090 0.00008 -0.00001 -0.00097 0.00162 175 8D+2 -0.00034 -0.00128 -0.00160 -0.01637 -0.02466 176 8D-2 -0.00303 -0.00199 -0.00023 -0.00326 -0.01200 177 9 C 1S -0.00094 -0.00132 -0.00117 0.00969 -0.02247 178 2S 0.00334 0.00289 0.00248 -0.02699 0.03500 179 3S -0.01850 0.00562 0.00488 -0.02779 0.01654 180 4PX -0.00371 0.00086 0.00017 0.06155 0.01766 181 4PY 0.00008 0.00381 0.00013 -0.00658 -0.02112 182 4PZ -0.00171 -0.00147 -0.00015 -0.03296 -0.00152 183 5PX 0.00565 0.00507 -0.00072 0.02396 0.00739 184 5PY -0.00561 0.00163 -0.00003 0.00090 0.00268 185 5PZ 0.00429 0.00169 0.00042 -0.01436 -0.00537 186 10 O 1S 0.00002 0.00069 -0.00074 -0.00310 0.01207 187 2S -0.00006 -0.00159 0.00162 0.00969 -0.02372 188 3S 0.00091 -0.00310 -0.00059 0.00252 -0.04583 189 4PX 0.00211 -0.00012 -0.00079 -0.05299 -0.05521 190 4PY 0.00182 -0.00308 0.00125 -0.00266 0.05086 191 4PZ 0.00161 0.00135 -0.00006 0.03184 0.01122 192 5PX -0.00038 -0.00205 0.00065 -0.03157 -0.01955 193 5PY 0.00202 -0.00150 -0.00029 -0.00783 0.00793 194 5PZ -0.00052 0.00017 -0.00026 0.02156 0.00812 26 27 28 29 30 26 4PX 1.99239 27 4PY -0.00008 1.99100 28 4PZ -0.00049 0.00025 1.99168 29 5PX 0.04594 0.00316 -0.00667 0.04466 30 5PY 0.00193 0.03746 -0.00143 -0.00026 0.02346 31 5PZ -0.00615 -0.00214 0.04117 -0.01260 -0.00011 32 6PX 0.00007 0.00340 -0.00815 0.00601 -0.00050 33 6PY 0.00064 -0.01243 -0.00003 -0.00114 -0.00061 34 6PZ -0.00702 -0.00161 -0.00682 -0.00318 0.00043 35 7D 0 0.00056 -0.00105 0.00066 -0.04289 -0.00357 36 7D+1 0.00202 -0.00129 0.00134 -0.04084 0.00086 37 7D-1 -0.00075 -0.00335 -0.00141 -0.00569 -0.05983 38 7D+2 0.00041 -0.00066 0.00244 0.07178 -0.01512 39 7D-2 -0.00061 0.00011 -0.00090 0.00309 0.08057 40 8D 0 0.00098 -0.00041 0.00114 -0.01369 -0.00125 41 8D+1 0.00173 -0.00033 -0.00058 -0.01230 0.00027 42 8D-1 -0.00010 -0.00100 -0.00102 -0.00187 -0.01974 43 8D+2 -0.00062 -0.00049 0.00119 0.02277 -0.00507 44 8D-2 -0.00061 -0.00110 -0.00037 0.00102 0.02618 45 3 Cu 1S 0.00136 0.00033 -0.00080 0.00326 -0.00086 46 2S 0.02209 0.00052 -0.00310 -0.04131 0.00162 47 3S 0.06766 0.00668 0.01574 0.04434 -0.01230 48 4PX 0.00155 -0.00062 0.00280 0.00408 -0.00188 49 4PY 0.00056 0.00182 0.00002 -0.00322 -0.00796 50 4PZ -0.00162 0.00038 0.00004 0.00924 -0.00294 51 5PX 0.00707 0.00264 -0.00951 0.01729 -0.00286 52 5PY -0.00416 -0.01320 0.00164 0.00089 0.00896 53 5PZ 0.00714 -0.00041 0.00000 -0.00157 -0.00072 54 6PX 0.01914 -0.00007 0.01398 0.02329 0.00060 55 6PY -0.00533 -0.01225 -0.00611 -0.00002 0.00899 56 6PZ 0.00753 -0.00425 0.01154 0.00364 -0.00064 57 7D 0 -0.01565 0.00238 -0.00148 0.08374 -0.01611 58 7D+1 0.00642 -0.00099 -0.01642 -0.00589 -0.00465 59 7D-1 -0.00015 0.00091 0.00134 -0.00452 -0.02913 60 7D+2 0.02856 -0.00535 0.00548 -0.11594 0.00776 61 7D-2 -0.00723 -0.02015 -0.00169 0.02424 0.04940 62 8D 0 -0.00172 0.00037 0.00074 0.02751 -0.00562 63 8D+1 0.00004 0.00007 -0.00666 -0.00174 -0.00168 64 8D-1 0.00012 -0.00003 0.00097 -0.00149 -0.01021 65 8D+2 0.00257 -0.00111 0.00018 -0.03877 0.00236 66 8D-2 -0.00103 -0.00736 -0.00002 0.00770 0.01576 67 4 Cu 1S -0.00239 0.00126 0.00087 0.00000 0.00053 68 2S -0.00035 -0.00963 0.00415 -0.01475 0.02869 69 3S -0.00849 0.01519 -0.00129 -0.01935 0.01112 70 4PX -0.00066 0.00043 0.00083 -0.00440 0.00310 71 4PY 0.00097 -0.00036 0.00003 -0.00057 -0.00115 72 4PZ 0.00061 0.00034 0.00059 0.00309 -0.00112 73 5PX -0.00277 0.00512 -0.00016 0.00275 0.00198 74 5PY 0.00121 -0.00443 0.00134 0.00514 0.00323 75 5PZ 0.00144 -0.00093 0.00013 0.00139 0.00112 76 6PX -0.00810 0.00803 -0.00759 -0.00769 -0.00117 77 6PY -0.00105 -0.00300 -0.00451 0.00767 -0.00183 78 6PZ -0.00389 -0.00982 -0.00927 0.00137 0.00149 79 7D 0 -0.00016 0.00137 0.00248 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0.02548 35 7D 0 -0.04956 -0.04665 0.01970 -0.04630 1.50484 36 7D+1 0.07643 -0.07200 0.00165 0.04076 0.00589 37 7D-1 0.00542 0.01583 0.01789 0.03011 -0.00436 38 7D+2 0.01191 0.04915 0.02193 -0.05015 0.01012 39 7D-2 -0.00521 0.00289 0.06841 0.01504 0.00163 40 8D 0 -0.01616 -0.01593 0.00674 -0.01556 0.49904 41 8D+1 0.02445 -0.02500 0.00064 0.01420 0.00106 42 8D-1 0.00161 0.00519 0.00613 0.01010 -0.00070 43 8D+2 0.00447 0.01710 0.00754 -0.01719 0.00165 44 8D-2 -0.00181 0.00094 0.02312 0.00505 0.00043 45 3 Cu 1S 0.00023 0.00245 0.00065 -0.00215 -0.00173 46 2S -0.00459 0.00439 -0.00985 0.00813 -0.02083 47 3S -0.00483 0.04856 0.01379 -0.01217 -0.16486 48 4PX 0.00053 -0.00845 0.00621 -0.02159 0.02029 49 4PY -0.00270 -0.00013 0.01423 0.00414 -0.00146 50 4PZ 0.00111 0.00545 -0.00083 0.00668 0.00401 51 5PX 0.00790 0.01001 -0.00666 -0.00048 -0.06988 52 5PY 0.00065 0.00087 0.00202 0.00031 -0.00137 53 5PZ -0.00039 0.00772 0.00397 -0.00254 -0.03458 54 6PX -0.00961 0.01098 -0.01187 0.03026 0.03669 55 6PY 0.00469 -0.00471 -0.04012 -0.00522 -0.05035 56 6PZ 0.00768 -0.00047 -0.00051 -0.01086 -0.03467 57 7D 0 -0.00960 0.02403 0.00875 0.00834 -0.01803 58 7D+1 0.04893 0.01536 0.01823 -0.06591 0.01157 59 7D-1 -0.00650 0.00514 0.05496 0.00881 -0.00224 60 7D+2 -0.00866 -0.00806 0.01271 -0.01480 0.01043 61 7D-2 0.00535 0.00479 -0.03974 0.00399 -0.00653 62 8D 0 -0.00360 0.00808 0.00285 0.00210 -0.00324 63 8D+1 0.01562 0.00584 0.00595 -0.02188 0.00064 64 8D-1 -0.00222 0.00162 0.01829 0.00300 -0.00030 65 8D+2 -0.00242 -0.00278 0.00408 -0.00519 0.00296 66 8D-2 0.00173 0.00146 -0.01444 0.00104 -0.00205 67 4 Cu 1S -0.00022 -0.00047 0.00165 -0.00039 0.00297 68 2S -0.00322 -0.01472 0.00583 0.00615 0.01536 69 3S 0.00670 -0.02392 0.02239 0.00480 0.12343 70 4PX 0.00158 -0.01241 0.00894 -0.00570 0.00319 71 4PY 0.00101 -0.00197 -0.00109 -0.00496 0.00015 72 4PZ -0.00082 -0.00126 -0.01125 -0.01063 0.00255 73 5PX 0.00268 -0.00269 -0.00199 0.00222 0.02453 74 5PY -0.00073 0.00752 -0.00624 -0.00196 -0.01579 75 5PZ 0.00747 -0.00167 0.00362 -0.00076 -0.00523 76 6PX 0.00503 -0.00572 0.00893 -0.00855 0.01183 77 6PY -0.00365 -0.00099 0.00614 -0.00772 0.00521 78 6PZ -0.00125 -0.00448 -0.01355 -0.00605 -0.03206 79 7D 0 0.00483 0.01507 0.03059 0.02824 -0.00091 80 7D+1 0.01617 -0.03589 0.05480 -0.05396 0.00042 81 7D-1 0.00808 0.00947 0.07657 0.00299 -0.00356 82 7D+2 -0.00013 -0.01291 -0.00743 -0.04103 0.00480 83 7D-2 -0.00232 -0.00262 -0.04373 0.00735 -0.00786 84 8D 0 0.00233 0.00512 0.00992 0.00926 -0.00165 85 8D+1 0.00563 -0.01196 0.01834 -0.01803 0.00001 86 8D-1 0.00251 0.00329 0.02541 0.00113 -0.00075 87 8D+2 -0.00003 -0.00417 -0.00285 -0.01366 0.00319 88 8D-2 -0.00062 -0.00058 -0.01479 0.00252 -0.00456 89 5 Cu 1S 0.00061 0.00044 -0.00073 0.00125 -0.00559 90 2S 0.03669 -0.01810 0.00257 0.01745 -0.03425 91 3S 0.01734 -0.00509 -0.00824 0.03037 -0.20672 92 4PX 0.00494 -0.00032 -0.00400 0.01131 -0.00279 93 4PY -0.00102 -0.00108 -0.01061 -0.00130 -0.00041 94 4PZ -0.00546 0.00190 0.00094 -0.00730 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65 8D+2 0.01011 -0.00118 0.00391 -0.00041 0.48724 66 8D-2 0.00383 -0.00077 -0.00032 -0.00347 -0.00163 67 4 Cu 1S 0.00023 -0.00569 -0.00004 -0.00153 -0.00074 68 2S -0.02034 -0.03939 0.00278 -0.00975 -0.02390 69 3S -0.02457 -0.16227 -0.05102 0.08165 -0.12056 70 4PX 0.00012 -0.00125 -0.00141 -0.01153 0.01656 71 4PY 0.00713 0.00263 -0.01187 0.01902 -0.00196 72 4PZ 0.02462 -0.01018 -0.00156 0.00419 -0.01139 73 5PX -0.00404 -0.01101 -0.02420 0.03344 -0.06277 74 5PY 0.00696 0.02997 0.03869 -0.08349 0.02126 75 5PZ 0.00811 0.03495 0.00892 -0.01533 0.03948 76 6PX 0.00060 -0.02882 0.03688 0.01319 0.03336 77 6PY 0.00717 0.03315 0.01826 0.02195 0.02729 78 6PZ 0.00659 -0.02915 0.01470 -0.04356 -0.00928 79 7D 0 -0.00991 0.02588 -0.01069 0.02585 0.01255 80 7D+1 0.01212 -0.01081 -0.00485 0.00349 -0.01961 81 7D-1 0.01369 0.02494 0.00184 -0.01006 0.01161 82 7D+2 -0.00029 0.01832 -0.03302 0.00557 0.02223 83 7D-2 -0.00164 0.02119 0.01245 0.02978 -0.03144 84 8D 0 -0.00299 0.00534 -0.00069 0.00306 0.00191 85 8D+1 0.00412 -0.00208 -0.00259 0.00127 -0.00114 86 8D-1 0.00455 0.00511 0.00053 -0.00460 0.00531 87 8D+2 -0.00012 0.00481 -0.00843 0.00050 0.00356 88 8D-2 -0.00048 0.00528 0.00365 0.00681 -0.00540 89 5 Cu 1S 0.00066 -0.00669 -0.00223 0.00207 -0.00043 90 2S 0.02414 -0.04998 -0.01775 0.01857 -0.00702 91 3S 0.01191 -0.09588 -0.02104 0.01242 -0.01610 92 4PX -0.00329 0.00001 0.00266 0.00072 0.00121 93 4PY 0.00293 -0.00023 0.00051 0.00173 0.00127 94 4PZ -0.00376 0.00401 0.00087 -0.00075 -0.00042 95 5PX 0.00091 0.00578 -0.00863 -0.00345 -0.01425 96 5PY -0.00075 -0.00533 -0.00321 -0.00859 -0.00239 97 5PZ 0.00663 0.00855 0.00445 -0.00414 0.00411 98 6PX -0.00385 0.00826 -0.02536 -0.00288 0.01226 99 6PY 0.00206 -0.00515 -0.00246 -0.01901 -0.00965 100 6PZ -0.00308 0.01018 0.00384 0.00187 -0.00266 101 7D 0 -0.05719 -0.01490 -0.00755 0.00644 0.00149 102 7D+1 -0.01191 -0.00776 0.00376 0.00168 0.00207 103 7D-1 -0.00204 0.00668 0.00216 0.00469 -0.00119 104 7D+2 0.02545 0.00202 0.00039 0.00135 -0.00509 105 7D-2 0.02174 0.00456 -0.00043 0.00318 0.00240 106 8D 0 -0.01933 -0.00711 -0.00436 0.00451 0.00062 107 8D+1 -0.00395 -0.00367 0.00150 0.00124 0.00118 108 8D-1 -0.00087 0.00315 0.00128 0.00174 -0.00061 109 8D+2 0.00851 0.00095 -0.00032 0.00102 -0.00101 110 8D-2 0.00730 0.00210 -0.00043 0.00195 0.00127 111 6 Cu 1S -0.00095 -0.00041 -0.00096 0.00197 -0.00116 112 2S -0.01702 0.00182 0.01756 -0.02139 -0.03023 113 3S -0.02461 -0.00998 0.11585 -0.18971 -0.08259 114 4PX -0.00435 0.00133 0.00434 -0.00757 -0.00829 115 4PY 0.00378 -0.00253 -0.00753 0.01078 0.00238 116 4PZ -0.00240 -0.00152 0.00645 -0.00929 -0.00830 117 5PX 0.01166 0.02603 -0.07454 0.04593 0.02131 118 5PY -0.02415 -0.03254 0.04611 -0.12787 -0.05232 119 5PZ 0.02261 0.00628 -0.03273 0.05399 0.05314 120 6PX 0.00632 0.00998 0.03308 0.02043 0.01439 121 6PY -0.00138 -0.03234 0.01406 0.00304 0.01092 122 6PZ 0.00505 0.00055 0.00918 -0.02646 0.00433 123 7D 0 0.00681 0.03304 0.00897 -0.01280 0.01470 124 7D+1 0.01714 0.00555 -0.00594 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0.06681 -0.00039 191 4PZ 0.10498 0.45684 0.00039 -0.00028 0.06128 192 5PX 0.10060 -0.01262 0.01686 0.00310 -0.00038 193 5PY -0.03285 0.02532 0.00335 0.01147 0.00093 194 5PZ 0.02532 0.16721 -0.00047 0.00105 0.01825 186 187 188 189 190 186 10 O 1S 2.11860 187 2S -0.25906 0.60431 188 3S -0.24866 0.52376 0.54195 189 4PX -0.01711 0.02966 0.14147 0.84303 190 4PY 0.03465 -0.06026 -0.28561 -0.00631 0.85251 191 4PZ -0.00431 0.00752 0.03541 0.00090 -0.00159 192 5PX -0.01512 0.03627 0.05101 0.29780 0.06727 193 5PY 0.03056 -0.07338 -0.10271 0.06785 0.19463 194 5PZ -0.00378 0.00910 0.01266 -0.00844 0.01706 191 192 193 194 191 4PZ 0.84016 192 5PX -0.00827 0.11506 193 5PY 0.01685 0.03712 0.05859 194 5PZ 0.32913 -0.00457 0.00927 0.13234 Full Mulliken population analysis: 1 2 3 4 5 1 1 Cu 1S 2.00808 2 2S -0.00291 0.30095 3 3S 0.00794 0.04018 0.67392 4 4PX 0.00000 0.00000 0.00000 1.99698 5 4PY 0.00000 0.00000 0.00000 0.00000 1.99608 6 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 7 5PX 0.00000 0.00000 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0.00000 -0.00038 -0.00102 0.00000 0.00000 29 5PX -0.00015 0.00465 -0.00707 0.00000 -0.00002 30 5PY -0.00012 0.00322 -0.00376 0.00007 0.00001 31 5PZ -0.00024 0.01109 -0.00829 0.00003 -0.00025 32 6PX -0.00018 0.00018 -0.01020 0.00013 -0.00003 33 6PY 0.00004 -0.00260 0.00055 0.00005 0.00006 34 6PZ -0.00014 -0.00024 -0.01909 0.00010 0.00004 35 7D 0 0.00000 0.00010 0.00012 0.00000 0.00000 36 7D+1 0.00000 0.00026 0.00048 0.00000 0.00000 37 7D-1 0.00000 0.00040 0.00036 0.00000 0.00000 38 7D+2 0.00000 -0.00001 0.00001 0.00000 0.00000 39 7D-2 0.00000 0.00009 0.00017 0.00000 0.00000 40 8D 0 0.00001 0.00037 0.00058 -0.00005 -0.00003 41 8D+1 0.00002 0.00122 0.00239 0.00001 -0.00005 42 8D-1 0.00002 0.00152 0.00176 -0.00007 0.00001 43 8D+2 0.00000 -0.00004 0.00003 -0.00001 -0.00001 44 8D-2 0.00001 0.00035 0.00080 0.00000 0.00000 45 3 Cu 1S 0.00000 -0.00043 0.00017 0.00000 0.00000 46 2S -0.00043 0.01919 -0.03635 -0.00019 -0.00004 47 3S 0.00017 -0.03646 0.01191 -0.00022 -0.00015 48 4PX 0.00000 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-0.00504 -0.00108 -0.00039 69 3S -0.00090 0.02445 -0.12314 -0.00047 -0.00004 70 4PX 0.00000 -0.00039 -0.00121 0.00000 0.00000 71 4PY 0.00000 -0.00017 -0.00012 0.00000 0.00000 72 4PZ 0.00000 -0.00005 -0.00019 0.00000 0.00000 73 5PX -0.00035 0.01091 -0.01357 -0.00018 0.00012 74 5PY -0.00013 0.00243 -0.00668 -0.00010 -0.00002 75 5PZ -0.00005 0.00159 -0.00160 -0.00012 0.00003 76 6PX -0.00010 0.00066 -0.01829 -0.00004 0.00011 77 6PY -0.00018 0.00196 -0.01640 -0.00005 0.00012 78 6PZ 0.00000 -0.00007 -0.00161 0.00006 0.00002 79 7D 0 0.00000 0.00011 0.00013 0.00000 0.00000 80 7D+1 0.00000 0.00026 0.00022 0.00000 0.00000 81 7D-1 0.00000 0.00003 0.00007 0.00000 0.00000 82 7D+2 0.00000 0.00024 0.00020 0.00000 0.00000 83 7D-2 0.00000 0.00020 0.00048 0.00000 0.00000 84 8D 0 0.00000 0.00047 0.00066 -0.00001 -0.00001 85 8D+1 0.00002 0.00100 0.00105 -0.00005 -0.00003 86 8D-1 0.00000 0.00012 0.00034 -0.00003 0.00000 87 8D+2 0.00002 0.00093 0.00097 0.00000 -0.00008 88 8D-2 0.00001 0.00091 0.00240 -0.00012 0.00002 89 5 Cu 1S 0.00000 -0.00029 -0.00047 0.00000 0.00000 90 2S -0.00025 0.03824 -0.03778 -0.00002 -0.00066 91 3S -0.00088 0.03237 -0.11764 -0.00002 -0.00040 92 4PX 0.00000 -0.00001 -0.00010 0.00000 0.00000 93 4PY 0.00000 -0.00020 -0.00059 0.00000 0.00000 94 4PZ 0.00000 -0.00047 -0.00085 0.00000 0.00000 95 5PX 0.00000 0.00065 0.00030 -0.00011 -0.00004 96 5PY -0.00024 0.00757 -0.00814 -0.00006 -0.00005 97 5PZ -0.00026 0.01067 -0.01141 -0.00002 -0.00028 98 6PX 0.00001 0.00001 -0.00090 0.00019 0.00002 99 6PY 0.00002 -0.00391 -0.00471 0.00001 -0.00003 100 6PZ -0.00030 0.00109 -0.02336 -0.00001 -0.00002 101 7D 0 0.00000 0.00000 0.00012 0.00000 0.00000 102 7D+1 0.00000 0.00004 0.00004 0.00000 0.00000 103 7D-1 0.00000 0.00058 0.00080 0.00000 0.00000 104 7D+2 0.00000 0.00015 0.00013 0.00000 0.00000 105 7D-2 0.00000 0.00007 0.00004 0.00000 0.00000 106 8D 0 0.00000 0.00013 0.00060 -0.00001 -0.00007 107 8D+1 0.00001 0.00015 0.00021 -0.00002 -0.00001 108 8D-1 0.00004 0.00232 0.00389 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0.00045 0.00000 0.00000 189 4PX 0.00000 0.00000 -0.00003 0.00000 0.00000 190 4PY 0.00000 0.00000 -0.00025 0.00000 0.00000 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00001 -0.00008 0.00000 0.00000 193 5PY 0.00000 -0.00001 -0.00030 0.00000 0.00000 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 6 4PZ 1.99758 7 5PX 0.00000 0.08835 8 5PY 0.00000 0.00000 0.07678 9 5PZ 0.00322 0.00000 0.00000 0.08772 10 6PX 0.00000 0.00955 0.00000 0.00000 0.07652 11 6PY 0.00000 0.00000 0.00495 0.00000 0.00000 12 6PZ -0.00147 0.00000 0.00000 0.01170 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 0.00000 -0.00016 -0.00021 -0.00017 24 2S -0.00081 0.01589 0.00491 0.01995 0.00436 25 3S -0.00035 0.00479 -0.00159 -0.00483 -0.00744 26 4PX 0.00000 0.00000 -0.00009 -0.00030 0.00001 27 4PY 0.00000 0.00014 -0.00007 -0.00006 0.00001 28 4PZ 0.00000 -0.00003 -0.00030 0.00002 -0.00007 29 5PX -0.00016 0.00069 -0.00054 -0.00048 0.00511 30 5PY -0.00016 -0.00138 0.00224 -0.00132 0.00016 31 5PZ 0.00001 -0.00212 0.00020 -0.00029 -0.00032 32 6PX -0.00002 0.00023 -0.00040 -0.00099 -0.01206 33 6PY 0.00011 -0.00047 0.00080 -0.00052 -0.00105 34 6PZ -0.00001 0.00053 -0.00040 0.00144 -0.00288 35 7D 0 0.00000 0.00058 0.00047 0.00004 0.00001 36 7D+1 0.00000 0.00000 0.00029 0.00054 0.00014 37 7D-1 0.00000 0.00057 -0.00011 0.00045 -0.00002 38 7D+2 0.00000 0.00017 0.00022 -0.00004 -0.00005 39 7D-2 0.00000 0.00000 -0.00005 0.00048 0.00003 40 8D 0 0.00001 0.00230 0.00189 0.00023 0.00007 41 8D+1 -0.00008 -0.00002 0.00110 0.00166 0.00076 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0.00000 0.00000 0.00000 178 2S 0.00010 0.00000 0.00000 0.00000 0.00000 179 3S 0.00030 0.00000 0.00000 0.00000 0.00000 180 4PX 0.00001 0.00000 0.00000 0.00000 0.00000 181 4PY 0.00008 0.00000 0.00000 0.00000 0.00000 182 4PZ -0.00001 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00001 0.00000 0.00000 0.00000 0.00000 184 5PY 0.00001 0.00001 0.00000 0.00000 0.00000 185 5PZ 0.00052 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3S 0.00002 0.00000 0.00000 0.00000 0.00000 189 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 190 4PY -0.00001 0.00000 0.00000 0.00000 0.00000 191 4PZ -0.00013 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00001 0.00000 0.00000 0.00000 0.00000 193 5PY -0.00001 0.00000 0.00000 0.00000 0.00000 194 5PZ -0.00041 0.00000 0.00000 0.00000 0.00000 171 172 173 174 175 171 7D-2 1.48965 172 8D 0 0.00000 0.15870 173 8D+1 0.00000 0.00000 0.16120 174 8D-1 0.00000 0.00000 0.00000 0.16020 175 8D+2 0.00000 0.00000 0.00000 0.00000 0.16085 176 8D-2 0.14418 0.00000 0.00000 0.00000 0.00000 177 9 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 178 2S 0.00000 0.00000 0.00000 0.00000 0.00000 179 3S 0.00000 0.00001 0.00000 0.00001 0.00000 180 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 181 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00000 -0.00002 0.00000 0.00000 -0.00002 184 5PY 0.00002 0.00006 0.00000 0.00001 0.00000 185 5PZ 0.00000 0.00000 -0.00001 -0.00001 0.00000 186 10 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 187 2S 0.00000 0.00000 0.00000 0.00000 0.00000 188 3S 0.00000 0.00000 0.00000 0.00000 0.00000 189 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 190 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 8D-2 0.15754 177 9 C 1S 0.00000 2.09473 178 2S 0.00000 -0.04999 0.51448 179 3S 0.00005 -0.03670 0.31505 0.43898 180 4PX 0.00000 0.00000 0.00000 0.00000 0.41845 181 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 182 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 183 5PX 0.00000 0.00000 0.00000 0.00000 0.02673 184 5PY 0.00016 0.00000 0.00000 0.00000 0.00000 185 5PZ -0.00002 0.00000 0.00000 0.00000 0.00000 186 10 O 1S 0.00000 0.00000 -0.00035 0.00251 -0.00101 187 2S 0.00000 -0.00027 0.00234 -0.03182 0.01294 188 3S 0.00000 0.00135 -0.03743 -0.06219 -0.00215 189 4PX 0.00000 -0.00104 0.01508 0.00017 0.01868 190 4PY 0.00000 -0.00427 0.06181 -0.00007 0.07681 191 4PZ 0.00000 -0.00007 0.00096 -0.00003 0.00120 192 5PX 0.00000 -0.00051 0.00494 0.00023 0.03374 193 5PY 0.00000 -0.00211 0.02023 -0.00006 0.02126 194 5PZ 0.00000 -0.00003 0.00031 -0.00004 0.00033 181 182 183 184 185 181 4PY 0.62471 182 4PZ 0.00000 0.35570 183 5PX 0.00000 0.00000 0.01815 184 5PY 0.00564 0.00000 0.00000 0.02360 185 5PZ 0.00000 0.03344 0.00000 0.00000 0.01683 186 10 O 1S -0.00411 -0.00006 0.00010 0.00040 0.00001 187 2S 0.05298 0.00082 -0.00011 -0.00049 -0.00001 188 3S -0.00884 -0.00014 0.00244 0.00982 0.00015 189 4PX 0.07679 0.00119 0.00926 -0.00024 0.00000 190 4PY 0.07868 0.00488 -0.00021 0.00268 -0.00001 191 4PZ 0.00489 0.07131 0.00000 0.00000 0.01102 192 5PX 0.02130 0.00033 0.00892 0.00055 0.00001 193 5PY 0.00145 0.00135 0.00059 0.00298 0.00004 194 5PZ 0.00135 0.06311 0.00001 0.00005 0.01115 186 187 188 189 190 186 10 O 1S 2.11860 187 2S -0.07072 0.60431 188 3S -0.04556 0.41413 0.54195 189 4PX 0.00000 0.00000 0.00000 0.84303 190 4PY 0.00000 0.00000 0.00000 0.00000 0.85251 191 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 192 5PX 0.00000 0.00000 0.00000 0.15069 0.00000 193 5PY 0.00000 0.00000 0.00000 0.00000 0.09848 194 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 193 194 191 4PZ 0.84016 192 5PX 0.00000 0.11506 193 5PY 0.00000 0.00000 0.05859 194 5PZ 0.16654 0.00000 0.00000 0.13234 Gross orbital populations: 1 1 1 Cu 1S 2.00381 2 2S 0.61604 3 3S -0.16010 4 4PX 1.99484 5 4PY 1.99460 6 4PZ 1.99499 7 5PX 0.18654 8 5PY 0.14120 9 5PZ 0.19873 10 6PX 0.02120 11 6PY -0.00534 12 6PZ 0.02080 13 7D 0 1.63577 14 7D+1 1.64118 15 7D-1 1.65226 16 7D+2 1.64580 17 7D-2 1.64905 18 8D 0 0.31997 19 8D+1 0.31944 20 8D-1 0.31639 21 8D+2 0.31517 22 8D-2 0.31783 23 2 Cu 1S 2.00550 24 2S 0.71730 25 3S 0.40302 26 4PX 1.99434 27 4PY 1.99462 28 4PZ 1.99458 29 5PX 0.07143 30 5PY 0.05211 31 5PZ 0.06117 32 6PX 0.03498 33 6PY -0.02081 34 6PZ 0.00949 35 7D 0 1.65570 36 7D+1 1.64322 37 7D-1 1.64546 38 7D+2 1.64827 39 7D-2 1.65051 40 8D 0 0.32300 41 8D+1 0.32592 42 8D-1 0.32366 43 8D+2 0.32495 44 8D-2 0.32297 45 3 Cu 1S 2.00381 46 2S 0.61588 47 3S -0.16044 48 4PX 1.99510 49 4PY 1.99516 50 4PZ 1.99417 51 5PX 0.21224 52 5PY 0.22348 53 5PZ 0.09061 54 6PX 0.01873 55 6PY 0.01358 56 6PZ 0.00414 57 7D 0 1.64857 58 7D+1 1.64563 59 7D-1 1.65456 60 7D+2 1.64077 61 7D-2 1.63452 62 8D 0 0.31786 63 8D+1 0.31729 64 8D-1 0.31419 65 8D+2 0.31923 66 8D-2 0.32018 67 4 Cu 1S 2.00554 68 2S 0.75580 69 3S 0.33815 70 4PX 1.99471 71 4PY 1.99441 72 4PZ 1.99484 73 5PX 0.05101 74 5PY 0.06215 75 5PZ 0.04658 76 6PX 0.00982 77 6PY 0.04980 78 6PZ -0.00590 79 7D 0 1.65740 80 7D+1 1.65403 81 7D-1 1.63738 82 7D+2 1.63961 83 7D-2 1.64597 84 8D 0 0.32215 85 8D+1 0.32208 86 8D-1 0.32423 87 8D+2 0.32444 88 8D-2 0.32420 89 5 Cu 1S 2.00550 90 2S 0.71691 91 3S 0.40413 92 4PX 1.99477 93 4PY 1.99466 94 4PZ 1.99409 95 5PX 0.05595 96 5PY 0.05348 97 5PZ 0.07642 98 6PX -0.00834 99 6PY -0.01779 100 6PZ 0.04978 101 7D 0 1.64491 102 7D+1 1.64613 103 7D-1 1.63760 104 7D+2 1.65370 105 7D-2 1.66094 106 8D 0 0.32576 107 8D+1 0.32468 108 8D-1 0.32519 109 8D+2 0.32304 110 8D-2 0.32209 111 6 Cu 1S 1.99709 112 2S 0.59964 113 3S -0.31605 114 4PX 1.99539 115 4PY 1.99578 116 4PZ 1.99528 117 5PX 0.30422 118 5PY 0.35252 119 5PZ 0.28722 120 6PX -0.03053 121 6PY 0.05105 122 6PZ -0.05948 123 7D 0 1.66072 124 7D+1 1.65414 125 7D-1 1.61263 126 7D+2 1.61151 127 7D-2 1.63093 128 8D 0 0.30129 129 8D+1 0.30470 130 8D-1 0.31079 131 8D+2 0.30863 132 8D-2 0.30307 133 7 Cu 1S 2.00550 134 2S 0.71704 135 3S 0.40399 136 4PX 1.99437 137 4PY 1.99447 138 4PZ 1.99469 139 5PX 0.06226 140 5PY 0.06493 141 5PZ 0.05865 142 6PX 0.00967 143 6PY 0.01236 144 6PZ 0.00189 145 7D 0 1.65678 146 7D+1 1.65010 147 7D-1 1.64091 148 7D+2 1.64210 149 7D-2 1.65335 150 8D 0 0.32301 151 8D+1 0.32337 152 8D-1 0.32565 153 8D+2 0.32414 154 8D-2 0.32448 155 8 Cu 1S 2.00381 156 2S 0.61592 157 3S -0.15960 158 4PX 1.99434 159 4PY 1.99521 160 4PZ 1.99486 161 5PX 0.10958 162 5PY 0.23450 163 5PZ 0.18205 164 6PX -0.00010 165 6PY 0.01879 166 6PZ 0.01871 167 7D 0 1.63662 168 7D+1 1.64836 169 7D-1 1.64805 170 7D+2 1.65285 171 7D-2 1.63831 172 8D 0 0.31959 173 8D+1 0.31766 174 8D-1 0.31759 175 8D+2 0.31674 176 8D-2 0.31733 177 9 C 1S 1.99857 178 2S 0.89018 179 3S 0.67619 180 4PX 0.63220 181 4PY 0.88275 182 4PZ 0.55566 183 5PX 0.08447 184 5PY 0.05243 185 5PZ 0.09488 186 10 O 1S 1.99922 187 2S 0.99039 188 3S 0.83846 189 4PX 1.11227 190 4PY 1.16527 191 4PZ 1.09618 192 5PX 0.33195 193 5PY 0.19808 194 5PZ 0.37266 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.344281 -0.106738 -0.018061 -0.092097 -0.107864 -0.229591 2 Cu -0.106738 19.122406 -0.107296 0.080459 0.088000 -0.028280 3 Cu -0.018061 -0.107296 19.345301 -0.092409 0.037702 -0.230403 4 Cu -0.092097 0.080459 -0.092409 19.071724 0.081462 0.115049 5 Cu -0.107864 0.088000 0.037702 0.081462 19.127067 -0.029846 6 Cu -0.229591 -0.028280 -0.230403 0.115049 -0.029846 19.343004 7 Cu 0.038277 0.087928 -0.107388 0.081281 0.089273 -0.030461 8 Cu -0.018829 0.040486 -0.019159 -0.093375 -0.107139 -0.226030 9 C 0.011807 0.012286 0.011963 -0.003751 0.013809 0.144920 10 O -0.001060 -0.007835 -0.001006 0.000039 -0.008856 0.042183 7 8 9 10 1 Cu 0.038277 -0.018829 0.011807 -0.001060 2 Cu 0.087928 0.040486 0.012286 -0.007835 3 Cu -0.107388 -0.019159 0.011963 -0.001006 4 Cu 0.081281 -0.093375 -0.003751 0.000039 5 Cu 0.089273 -0.107139 0.013809 -0.008856 6 Cu -0.030461 -0.226030 0.144920 0.042183 7 Cu 19.125963 -0.106024 0.013647 -0.008813 8 Cu -0.106024 19.341994 0.010882 -0.001631 9 C 0.013647 0.010882 5.093968 0.557800 10 O -0.008813 -0.001631 0.557800 7.533667 Mulliken atomic charges: 1 1 Cu 0.179875 2 Cu -0.181417 3 Cu 0.180755 4 Cu -0.148382 5 Cu -0.183608 6 Cu 0.129454 7 Cu -0.183683 8 Cu 0.178825 9 C 0.132669 10 O -0.104488 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.179875 2 Cu -0.181417 3 Cu 0.180755 4 Cu -0.148382 5 Cu -0.183608 6 Cu 0.129454 7 Cu -0.183683 8 Cu 0.178825 9 C 0.132669 10 O -0.104488 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.090324 2 Cu -0.063440 3 Cu 0.090377 4 Cu -0.125458 5 Cu -0.065916 6 Cu -0.073502 7 Cu -0.065602 8 Cu 0.090584 9 C 0.982833 10 O -0.860199 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.090324 2 Cu -0.063440 3 Cu 0.090377 4 Cu -0.125458 5 Cu -0.065916 6 Cu -0.073502 7 Cu -0.065602 8 Cu 0.090584 9 C 0.982833 10 O -0.860199 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3720.8598 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2562 Y= -0.4452 Z= 0.0340 Tot= 0.5148 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.5009 YY= -117.4976 ZZ= -111.8945 XY= 3.0648 XZ= -0.2865 YZ= 0.5096 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.7968 YY= -3.2000 ZZ= 2.4032 XY= 3.0648 XZ= -0.2865 YZ= 0.5096 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 14.6454 YYY= 202.4696 ZZZ= -86.6598 XYY= -16.5574 XXY= 61.7604 XXZ= -40.7663 XZZ= 8.2943 YZZ= 54.9075 YYZ= -40.1050 XYZ= -0.6117 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1302.1828 YYYY= -2272.4141 ZZZZ= -1085.1791 XXXY= 245.0011 XXXZ= -41.1790 YYYX= 309.7152 YYYZ= 135.9484 ZZZX= -10.3628 ZZZY= 78.0816 XXYY= -592.6097 XXZZ= -403.8489 YYZZ= -550.5072 XXYZ= 45.9960 YYXZ= -6.3398 ZZXY= 75.2478 N-N= 2.113973078327D+03 E-N=-8.338225985387D+03 KE= 1.132179402071D+03 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.27107 29.12426 2 O -10.35227 15.96894 3 O -4.34299 2.68614 4 O -4.30025 2.68355 5 O -4.30001 2.68883 6 O -4.29993 2.68870 7 O -4.28373 2.68764 8 O -4.28371 2.68764 9 O -4.28369 2.68764 10 O -4.27254 2.68790 11 O -2.85377 5.08049 12 O -2.84689 5.08663 13 O -2.84687 5.08658 14 O -2.80872 5.06569 15 O -2.80813 5.07557 16 O -2.80810 5.07563 17 O -2.80714 5.09506 18 O -2.80696 5.09467 19 O -2.80692 5.09478 20 O -2.80660 5.08070 21 O -2.80629 5.08935 22 O -2.80621 5.08900 23 O -2.79291 5.08592 24 O -2.79289 5.08588 25 O -2.79286 5.08581 26 O -2.79016 5.08811 27 O -2.79012 5.08850 28 O -2.79010 5.08873 29 O -2.79008 5.08989 30 O -2.79004 5.08984 31 O -2.79004 5.08983 32 O -2.78193 5.08612 33 O -2.77856 5.08973 34 O -2.77855 5.08973 35 O -1.18802 2.85783 36 O -0.58676 2.51737 37 O -0.48336 2.02953 38 O -0.48334 2.02787 39 O -0.47414 2.37083 40 O -0.35853 1.76158 41 O -0.33647 7.86310 42 O -0.33633 7.86381 43 O -0.32447 8.77416 44 O -0.32440 7.31760 45 O -0.32426 8.56687 46 O -0.32136 7.66051 47 O -0.30924 7.84676 48 O -0.30751 8.35636 49 O -0.30749 8.35600 50 O -0.29897 8.69999 51 O -0.29892 8.70045 52 O -0.29362 8.51017 53 O -0.29056 8.92751 54 O -0.28583 8.73991 55 O -0.28574 8.74269 56 O -0.28481 8.74987 57 O -0.28474 8.74717 58 O -0.27424 9.14704 59 O -0.27422 9.14758 60 O -0.26738 9.16041 61 O -0.26520 9.11748 62 O -0.26518 9.11681 63 O -0.26387 8.89792 64 O -0.26252 9.14259 65 O -0.26249 9.14290 66 O -0.26123 8.72777 67 O -0.25853 9.28079 68 O -0.25851 9.28220 69 O -0.25772 9.43453 70 O -0.25770 9.43406 71 O -0.25685 9.65059 72 O -0.25263 9.41744 73 O -0.25261 9.42373 74 O -0.25256 9.33043 75 O -0.24848 9.40488 76 O -0.24847 9.40616 77 O -0.24816 9.23096 78 O -0.24644 9.73767 79 O -0.24335 9.53416 80 O -0.24332 9.53373 81 O -0.20300 2.64646 82 O -0.20297 2.64641 83 O -0.18695 2.44352 84 V -0.08621 1.93752 85 V -0.08602 1.94010 86 V -0.07931 0.87641 87 V -0.07077 0.95271 88 V -0.07059 0.95097 89 V -0.04250 1.06584 90 V -0.03085 0.89952 91 V -0.03080 0.89484 92 V -0.00554 0.62261 93 V -0.00551 0.62226 94 V -0.00482 0.47302 95 V 0.01920 0.34171 96 V 0.02286 0.44256 97 V 0.02805 0.44503 98 V 0.02824 0.44206 99 V 0.03041 0.49094 100 V 0.03891 0.43896 101 V 0.04219 0.40153 102 V 0.04223 0.40249 103 V 0.04459 0.35564 104 V 0.04469 0.35576 105 V 0.04949 0.37676 106 V 0.04951 0.37830 107 V 0.06113 0.47113 108 V 0.06808 0.48734 109 V 0.07005 0.47717 110 V 0.07009 0.47410 111 V 0.08091 0.28975 112 V 0.08096 0.28938 113 V 0.08225 0.37718 114 V 0.08552 0.23649 115 V 0.08571 0.22835 116 V 0.08574 0.22715 117 V 0.10489 0.58445 118 V 0.10510 0.58752 119 V 0.10590 0.51866 120 V 0.10815 0.84583 121 V 0.11878 0.31646 122 V 0.11897 0.31767 123 V 0.15521 0.89548 124 V 0.15528 0.89592 125 V 0.19959 1.24340 126 V 0.21406 0.98612 127 V 0.22796 1.45869 128 V 0.22849 1.45952 129 V 0.24393 1.23338 130 V 0.24889 1.29075 131 V 0.24967 1.29993 132 V 0.25848 1.32737 133 V 0.28898 1.23766 134 V 0.28962 1.23594 135 V 0.30379 1.71916 136 V 0.32174 1.51632 137 V 0.32179 1.51538 138 V 0.34654 1.80633 139 V 0.39683 1.43105 140 V 0.39915 1.42639 141 V 0.53552 2.72314 142 V 0.64085 3.57759 143 V 0.65956 3.95868 144 V 0.65983 3.95017 145 V 0.67474 4.22332 146 V 0.67492 4.21729 147 V 0.67928 3.53495 148 V 0.69818 4.05885 149 V 0.70934 3.81885 150 V 0.70994 3.82935 151 V 0.74882 3.69213 152 V 0.75149 3.73355 153 V 0.79121 4.63608 154 V 0.79637 4.19380 155 V 0.79680 4.15346 156 V 0.83493 3.32162 157 V 0.85988 4.31797 158 V 0.86012 4.30090 159 V 0.86420 4.42701 160 V 0.86920 4.32735 161 V 0.87114 4.33473 162 V 0.88266 4.55862 163 V 0.88391 4.55068 164 V 0.89055 4.03316 165 V 0.93551 3.94516 166 V 0.99734 4.00765 167 V 1.05829 4.52815 168 V 1.05855 4.53036 169 V 1.06013 4.56328 170 V 1.06017 4.56559 171 V 1.08670 4.44225 172 V 1.17078 4.14980 173 V 1.17960 4.26707 174 V 1.17974 4.26739 175 V 1.23148 4.66274 176 V 1.23322 4.66604 177 V 1.28210 4.66821 178 V 1.31034 4.62841 179 V 1.31070 4.62700 180 V 1.31675 4.68109 181 V 1.31710 4.68122 182 V 1.32180 4.63600 183 V 1.33010 4.66500 184 V 1.33086 4.66563 185 V 1.35457 4.81882 186 V 1.52251 2.35411 187 V 1.64190 3.76710 188 V 1.83993 1.96639 189 V 1.84176 1.96483 190 V 2.01987 1.86647 191 V 2.30405 1.36982 192 V 2.31087 1.37849 193 V 3.67490 1.42133 194 V 11.94035 3.23449 Total kinetic energy from orbitals= 1.132179402071D+03 Exact polarizability: 283.641 -24.549 317.473 2.613 -5.013 271.354 Approx polarizability: 629.960 -45.089 692.384 4.985 -9.299 607.711 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:28:58 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 14:29:14 2008, MaxMem= 1258291200 cpu: 61.4 (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 14:29:15 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 14:32:24 2008, MaxMem= 1258291200 cpu: 751.7 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole = 1.00790195D-01-1.75169221D-01 1.33785981D-02 Polarizability= 2.83641302D+02-2.45493687D+01 3.17473462D+02 2.61278778D+00-5.01346178D+00 2.71353544D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000061704 0.000015307 -0.000064289 2 29 -0.000009446 -0.000004986 0.000026603 3 29 0.000023756 -0.000032546 0.000012380 4 29 -0.000006511 0.000022900 -0.000008105 5 29 0.000000485 -0.000020182 -0.000048910 6 29 -0.000004345 0.000047183 0.000183377 7 29 -0.000003258 0.000048335 0.000018053 8 29 -0.000032148 -0.000091900 -0.000024169 9 6 -0.000114500 -0.000025222 -0.000113521 10 8 0.000084262 0.000041113 0.000018581 ------------------------------------------------------------------- Cartesian Forces: Max 0.000183377 RMS 0.000057324 Force constants in Cartesian coordinates: 1 2 3 4 5 1 0.471644D-01 2 0.630403D-02 0.397589D-01 3 0.714956D-03 0.164501D-02 0.475235D-01 4 -0.796019D-02 0.721737D-02 0.127058D-01 0.456356D-01 5 0.502716D-02 -0.374670D-02 -0.713836D-02 -0.322664D-03 0.145997D-01 6 0.102559D-01 -0.851612D-02 -0.146335D-01 -0.187380D-01 -0.525513D-03 7 -0.240592D-02 -0.636745D-02 -0.120370D-01 -0.273800D-01 0.196851D-02 8 -0.621706D-02 -0.328911D-04 -0.750584D-02 0.243342D-02 0.207632D-03 9 -0.127563D-01 -0.826211D-02 -0.177219D-01 -0.252344D-02 0.149336D-03 10 -0.148153D-01 0.742200D-02 -0.531738D-02 -0.905339D-03 0.135923D-02 11 0.111493D-01 -0.580303D-02 0.424483D-02 -0.704329D-05 0.174618D-03 12 -0.481194D-02 0.256967D-02 -0.239308D-02 0.264722D-03 -0.104633D-02 13 0.117382D-03 -0.160842D-02 0.203193D-02 0.383407D-03 -0.484657D-04 14 -0.257512D-02 -0.997692D-02 0.119554D-01 0.889735D-04 -0.614448D-03 15 0.405308D-02 0.147678D-01 -0.165439D-01 -0.160073D-03 -0.409872D-04 16 0.156155D-02 0.983073D-03 -0.612855D-03 -0.666497D-02 -0.613638D-02 17 -0.564972D-03 -0.142368D-01 -0.285018D-02 -0.916793D-02 -0.733674D-02 18 -0.845830D-03 -0.210694D-02 0.255583D-02 0.739539D-02 0.639268D-02 19 -0.162436D-02 -0.134060D-03 -0.212356D-04 -0.978527D-03 -0.710399D-03 20 -0.294427D-03 -0.221539D-02 -0.218612D-03 0.666024D-04 -0.417271D-03 21 -0.444266D-04 -0.145416D-03 -0.165677D-02 0.512519D-03 0.952383D-03 22 -0.209492D-01 -0.137920D-01 0.284404D-02 -0.216647D-02 0.268150D-03 23 -0.134202D-01 -0.282337D-02 -0.342817D-03 0.133835D-03 -0.162527D-02 24 0.366741D-02 0.162879D-03 0.339065D-02 0.262511D-03 -0.154539D-03 25 -0.183772D-02 0.246105D-03 -0.310565D-03 0.182687D-03 -0.328788D-02 26 0.652270D-03 -0.118068D-02 0.309508D-03 -0.869513D-03 -0.104732D-03 27 -0.259305D-03 0.623061D-04 -0.115672D-02 0.398058D-03 0.205694D-02 28 0.749440D-03 -0.270667D-03 0.226344D-05 -0.146204D-03 0.188274D-02 29 -0.609429D-04 0.256975D-03 -0.989364D-04 0.426953D-03 -0.113676D-02 30 0.264186D-04 -0.177080D-03 0.635876D-03 -0.117532D-03 -0.645607D-03 6 7 8 9 10 6 0.240741D-01 7 0.101842D-02 0.448579D-01 8 -0.743568D-05 0.422620D-02 0.387882D-01 9 0.759626D-03 -0.412267D-03 0.119511D-02 0.514250D-01 10 -0.292077D-03 -0.380618D-02 0.692837D-02 0.486355D-02 0.209432D-01 11 -0.253414D-03 0.659580D-02 -0.149278D-01 -0.997982D-02 -0.179473D-01 12 -0.179145D-03 0.297373D-02 -0.634818D-02 -0.442897D-02 0.170730D-02 13 0.153251D-02 -0.168819D-02 0.912091D-04 -0.247687D-03 -0.510493D-03 14 0.210921D-03 0.107940D-03 -0.174319D-02 0.392367D-03 0.945370D-04 15 -0.810762D-03 -0.174766D-03 0.239724D-03 -0.205686D-02 -0.839866D-04 16 0.615046D-02 -0.178399D-03 0.547275D-02 -0.449072D-02 -0.238869D-02 17 0.813995D-02 0.567844D-02 -0.593751D-02 0.701350D-02 -0.380844D-03 18 -0.732016D-02 -0.369729D-02 0.549758D-02 -0.408788D-02 0.477597D-04 19 -0.804645D-03 -0.598554D-02 -0.117230D-01 0.329825D-02 0.617541D-03 20 0.174751D-03 -0.109636D-01 -0.202764D-01 0.571497D-02 -0.102038D-02 21 0.356698D-03 0.140882D-02 0.280499D-02 -0.145997D-03 0.332782D-03 22 0.210069D-03 -0.283767D-02 -0.159861D-02 0.120362D-01 -0.619674D-04 23 -0.767120D-04 -0.154050D-02 0.500804D-02 0.433301D-02 0.188498D-02 24 -0.171177D-02 0.109929D-01 0.403967D-02 -0.229005D-01 -0.108598D-02 25 0.138233D-02 -0.118623D-02 0.350575D-03 0.345952D-03 0.207674D-02 26 0.654901D-03 0.260901D-03 -0.171809D-02 -0.703267D-03 0.233223D-02 27 -0.821974D-03 0.157022D-03 -0.277275D-03 -0.124311D-02 -0.223364D-03 28 -0.714996D-03 0.610215D-03 0.361016D-04 -0.113563D-03 -0.114950D-02 29 0.198667D-03 0.337375D-04 0.632010D-03 0.146904D-03 -0.672826D-03 30 0.286883D-03 -0.229529D-03 0.361665D-03 0.400589D-03 0.513883D-04 11 12 13 14 15 11 0.449176D-01 12 -0.325651D-02 0.117449D-01 13 -0.614693D-04 -0.868245D-03 0.156060D-01 14 -0.290135D-03 0.170404D-02 -0.280472D-02 0.165053D-01 15 0.230706D-03 -0.116099D-03 0.839311D-02 -0.858616D-02 0.523182D-01 16 -0.383270D-03 0.464800D-04 -0.430586D-03 0.593550D-03 0.314082D-02 17 -0.184350D-02 -0.911945D-04 0.275295D-03 -0.267265D-02 -0.920390D-02 18 -0.945161D-04 -0.257899D-02 0.141325D-02 -0.601079D-02 -0.179606D-01 19 0.492824D-03 0.562689D-03 -0.439351D-03 0.223803D-03 0.482323D-04 20 -0.124808D-02 -0.580541D-03 0.453153D-03 -0.517051D-04 -0.266760D-04 21 0.103248D-03 -0.283705D-03 -0.112101D-02 -0.124571D-02 -0.550229D-03 22 -0.150051D-02 0.299366D-03 -0.131704D-01 0.404938D-02 -0.155205D-01 23 -0.196884D-01 0.673052D-02 0.338086D-02 -0.553289D-03 0.348935D-02 24 0.869022D-02 -0.354678D-02 -0.119529D-01 0.341555D-02 -0.128615D-01 25 0.235706D-02 -0.236775D-03 0.608533D-03 -0.602589D-03 0.112144D-03 26 -0.969645D-03 0.432604D-03 -0.404907D-03 0.882235D-03 -0.620697D-03 27 0.412928D-03 0.331185D-02 0.145436D-02 -0.322942D-02 -0.231038D-02 28 -0.695369D-03 0.626641D-04 -0.476273D-03 0.824249D-03 0.191915D-03 29 -0.321659D-03 -0.114081D-03 0.727460D-03 -0.148516D-02 -0.249153D-03 30 -0.976775D-04 -0.153001D-02 -0.635360D-03 0.139381D-02 0.892084D-03 16 17 18 19 20 16 0.549997D-01 17 -0.326370D-01 0.101308D+00 18 0.396778D-02 -0.731201D-02 0.388832D-01 19 -0.171799D-01 -0.179401D-02 -0.779303D-02 0.273603D-01 20 -0.511627D-02 0.783417D-04 -0.224298D-02 0.167861D-01 0.383556D-01 21 -0.828174D-02 -0.773247D-03 -0.421279D-02 0.879958D-02 0.113059D-01 22 -0.775150D-02 0.791612D-02 0.315951D-02 0.306054D-03 -0.614879D-03 23 0.659096D-02 -0.357281D-02 -0.101445D-02 -0.283662D-02 -0.147075D-01 24 0.370538D-02 -0.176450D-02 0.185565D-02 -0.300563D-02 -0.145040D-01 25 -0.235219D-01 0.235492D-01 -0.275614D-02 -0.250663D-02 0.550141D-03 26 0.239812D-01 -0.574851D-01 0.520409D-02 -0.213835D-02 0.208703D-02 27 -0.290951D-02 0.538761D-02 -0.120376D-01 -0.150587D-02 0.488890D-03 28 0.155477D-02 0.712566D-02 -0.891415D-03 0.430380D-03 0.153529D-03 29 0.665131D-02 -0.830130D-02 0.168734D-02 0.183365D-02 -0.160460D-02 30 -0.716094D-03 0.145397D-02 0.490341D-02 0.421660D-03 -0.111678D-03 21 22 23 24 25 21 0.185724D-01 22 -0.671938D-03 0.472987D-01 23 -0.129229D-01 0.543665D-02 0.392376D-01 24 -0.118540D-01 -0.260080D-02 -0.348313D-03 0.482130D-01 25 -0.118227D-02 -0.945704D-03 0.165748D-03 -0.102207D-03 0.231866D+00 26 -0.684998D-03 -0.192214D-03 -0.204950D-02 0.536314D-03 -0.411916D+00 27 -0.342745D-03 0.516953D-04 0.331287D-03 -0.118200D-02 0.511348D-01 28 0.247682D-03 0.278197D-03 0.204297D-03 0.119332D-03 -0.204736D+00 29 0.605766D-03 0.278879D-04 0.774484D-03 -0.732425D-04 0.388588D+00 30 0.117133D-03 0.192314D-03 -0.178955D-03 0.597174D-03 -0.483873D-01 26 27 28 29 30 26 0.858723D+00 27 -0.102925D+00 0.406186D-01 28 0.388295D+00 -0.482979D-01 0.202885D+00 29 -0.798184D+00 0.976920D-01 -0.397555D+00 0.809370D+00 30 0.977968D-01 -0.248359D-01 0.493940D-01 -0.997953D-01 0.185328D-01 Leave Link 716 at Fri Apr 11 14:32:24 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 D2Numr ... symmetry will not be used. Leave Link 106 at Fri Apr 11 14:32:24 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 2113.9730783275 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 14:32:25 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 14:32:28 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 2113.9469298385 hartrees. Leave Link 303 at Fri Apr 11 14:32:29 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 14:32:29 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= -1682.75011750484 DIIS: error= 1.10D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.75011750484 IErMin= 1 ErrMin= 1.10D-03 ErrMax= 1.10D-03 EMaxC= 1.00D-01 BMatC= 9.76D-05 BMatP= 9.76D-05 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.10D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.096 Goal= None Shift= 0.000 GapD= 0.096 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.28D-04 MaxDP=8.31D-03 OVMax= 3.59D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.75022677017 Delta-E= -0.000109265332 Rises=F Damp=T DIIS: error= 3.40D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.75022677017 IErMin= 2 ErrMin= 3.40D-04 ErrMax= 3.40D-04 EMaxC= 1.00D-01 BMatC= 6.73D-05 BMatP= 9.76D-05 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.40D-03 Coeff-Com: 0.435D+00 0.565D+00 Coeff-En: 0.379D+00 0.621D+00 Coeff: 0.435D+00 0.565D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=2.10D-04 MaxDP=3.61D-03 DE=-1.09D-04 OVMax= 1.56D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.75056352506 Delta-E= -0.000336754893 Rises=F Damp=F DIIS: error= 3.11D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.75056352506 IErMin= 3 ErrMin= 3.11D-04 ErrMax= 3.11D-04 EMaxC= 1.00D-01 BMatC= 5.57D-05 BMatP= 6.73D-05 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.11D-03 Coeff-Com: 0.269D+00 0.359D+00 0.371D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.269D+00 0.358D+00 0.373D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=6.18D-05 MaxDP=8.93D-04 DE=-3.37D-04 OVMax= 2.88D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.75062092763 Delta-E= -0.000057402568 Rises=F Damp=F DIIS: error= 5.42D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.75062092763 IErMin= 4 ErrMin= 5.42D-05 ErrMax= 5.42D-05 EMaxC= 1.00D-01 BMatC= 1.85D-06 BMatP= 5.57D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.898D-01 0.534D-01 0.126D+00 0.731D+00 Coeff: 0.898D-01 0.534D-01 0.126D+00 0.731D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=2.65D-05 MaxDP=5.32D-04 DE=-5.74D-05 OVMax= 7.72D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.75062278968 Delta-E= -0.000001862046 Rises=F Damp=F DIIS: error= 5.23D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.75062278968 IErMin= 5 ErrMin= 5.23D-05 ErrMax= 5.23D-05 EMaxC= 1.00D-01 BMatC= 1.23D-06 BMatP= 1.85D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.293D-01-0.649D-02 0.190D-01 0.479D+00 0.480D+00 Coeff: 0.293D-01-0.649D-02 0.190D-01 0.479D+00 0.480D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=1.21D-05 MaxDP=2.48D-04 DE=-1.86D-06 OVMax= 2.52D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.75062341268 Delta-E= -0.000000623003 Rises=F Damp=F DIIS: error= 2.59D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.75062341268 IErMin= 6 ErrMin= 2.59D-05 ErrMax= 2.59D-05 EMaxC= 1.00D-01 BMatC= 3.73D-07 BMatP= 1.23D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.161D-02-0.106D-01-0.229D-01 0.129D+00 0.395D+00 0.507D+00 Coeff: 0.161D-02-0.106D-01-0.229D-01 0.129D+00 0.395D+00 0.507D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=5.59D-06 MaxDP=9.60D-05 DE=-6.23D-07 OVMax= 1.50D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.75062369780 Delta-E= -0.000000285115 Rises=F Damp=F DIIS: error= 9.30D-06 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.75062369780 IErMin= 7 ErrMin= 9.30D-06 ErrMax= 9.30D-06 EMaxC= 1.00D-01 BMatC= 3.37D-08 BMatP= 3.73D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.668D-03-0.727D-02-0.174D-01 0.570D-01 0.251D+00 0.354D+00 Coeff-Com: 0.363D+00 Coeff: -0.668D-03-0.727D-02-0.174D-01 0.570D-01 0.251D+00 0.354D+00 Coeff: 0.363D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=1.54D-06 MaxDP=3.40D-05 DE=-2.85D-07 OVMax= 5.26D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.75062372290 Delta-E= -0.000000025107 Rises=F Damp=F DIIS: error= 3.90D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.75062372290 IErMin= 8 ErrMin= 3.90D-06 ErrMax= 3.90D-06 EMaxC= 1.00D-01 BMatC= 7.30D-09 BMatP= 3.37D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.495D-03-0.318D-02-0.831D-02 0.163D-01 0.118D+00 0.178D+00 Coeff-Com: 0.303D+00 0.398D+00 Coeff: -0.495D-03-0.318D-02-0.831D-02 0.163D-01 0.118D+00 0.178D+00 Coeff: 0.303D+00 0.398D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=7.17D-07 MaxDP=1.51D-05 DE=-2.51D-08 OVMax= 2.84D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.75062372858 Delta-E= -0.000000005674 Rises=F Damp=F DIIS: error= 1.12D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.75062372858 IErMin= 9 ErrMin= 1.12D-06 ErrMax= 1.12D-06 EMaxC= 1.00D-01 BMatC= 8.37D-10 BMatP= 7.30D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.360D-03-0.809D-03-0.196D-02-0.401D-02 0.219D-01 0.417D-01 Coeff-Com: 0.122D+00 0.285D+00 0.537D+00 Coeff: -0.360D-03-0.809D-03-0.196D-02-0.401D-02 0.219D-01 0.417D-01 Coeff: 0.122D+00 0.285D+00 0.537D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=2.94D-07 MaxDP=5.28D-06 DE=-5.67D-09 OVMax= 1.25D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.75062372947 Delta-E= -0.000000000893 Rises=F Damp=F DIIS: error= 6.69D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.75062372947 IErMin=10 ErrMin= 6.69D-07 ErrMax= 6.69D-07 EMaxC= 1.00D-01 BMatC= 1.17D-10 BMatP= 8.37D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.110D-03 0.391D-04 0.275D-03-0.559D-02-0.692D-02-0.567D-02 Coeff-Com: 0.267D-01 0.135D+00 0.319D+00 0.538D+00 Coeff: -0.110D-03 0.391D-04 0.275D-03-0.559D-02-0.692D-02-0.567D-02 Coeff: 0.267D-01 0.135D+00 0.319D+00 0.538D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=1.32D-07 MaxDP=2.62D-06 DE=-8.93D-10 OVMax= 3.14D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.75062372956 Delta-E= -0.000000000085 Rises=F Damp=F DIIS: error= 2.81D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.75062372956 IErMin=11 ErrMin= 2.81D-07 ErrMax= 2.81D-07 EMaxC= 1.00D-01 BMatC= 3.41D-11 BMatP= 1.17D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.191D-04 0.118D-03 0.325D-03-0.269D-02-0.606D-02-0.831D-02 Coeff-Com: 0.151D-02 0.471D-01 0.942D-01 0.384D+00 0.490D+00 Coeff: -0.191D-04 0.118D-03 0.325D-03-0.269D-02-0.606D-02-0.831D-02 Coeff: 0.151D-02 0.471D-01 0.942D-01 0.384D+00 0.490D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=7.92D-08 MaxDP=1.88D-06 DE=-8.46D-11 OVMax= 4.06D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.75062372959 Delta-E= -0.000000000035 Rises=F Damp=F DIIS: error= 1.64D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.75062372959 IErMin=12 ErrMin= 1.64D-07 ErrMax= 1.64D-07 EMaxC= 1.00D-01 BMatC= 2.86D-12 BMatP= 3.41D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.109D-04 0.595D-04 0.125D-03-0.441D-03-0.218D-02-0.386D-02 Coeff-Com: -0.298D-02 0.286D-02-0.216D-02 0.113D+00 0.299D+00 0.596D+00 Coeff: 0.109D-04 0.595D-04 0.125D-03-0.441D-03-0.218D-02-0.386D-02 Coeff: -0.298D-02 0.286D-02-0.216D-02 0.113D+00 0.299D+00 0.596D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=3.32D-08 MaxDP=5.68D-07 DE=-3.55D-11 OVMax= 1.77D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.75062372959 Delta-E= 0.000000000006 Rises=F Damp=F DIIS: error= 5.08D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=12 EnMin= -1682.75062372959 IErMin=13 ErrMin= 5.08D-08 ErrMax= 5.08D-08 EMaxC= 1.00D-01 BMatC= 8.40D-13 BMatP= 2.86D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.120D-04 0.390D-04 0.764D-04-0.139D-03-0.122D-02-0.220D-02 Coeff-Com: -0.226D-02-0.101D-02-0.886D-02 0.516D-01 0.175D+00 0.414D+00 Coeff-Com: 0.375D+00 Coeff: 0.120D-04 0.390D-04 0.764D-04-0.139D-03-0.122D-02-0.220D-02 Coeff: -0.226D-02-0.101D-02-0.886D-02 0.516D-01 0.175D+00 0.414D+00 Coeff: 0.375D+00 Gap= 0.099 Goal= None Shift= 0.000 RMSDP=9.96D-09 MaxDP=2.72D-07 DE= 6.37D-12 OVMax= 3.42D-07 SCF Done: E(RB+HF-LYP) = -1682.75062373 A.U. after 13 cycles Convg = 0.9963D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132186127210D+03 PE=-8.338201132260D+03 EE= 3.409317451483D+03 Leave Link 502 at Fri Apr 11 14:33:13 2008, MaxMem= 1258291200 cpu: 129.9 (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 0.11933508D+02 **** Warning!!: The smallest alpha delta epsilon is 0.99161058D-01 Leave Link 801 at Fri Apr 11 14:33:14 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2742 LenP2D= 11498. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 14:33:21 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 14:33:22 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 14:34:33 2008, MaxMem= 1258291200 cpu: 269.9 (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= 7.55D-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 0.283690D+03 2 -0.237357D+02 0.316021D+03 3 0.143016D+01 -0.536011D+01 0.271808D+03 Isotropic polarizability for W= 0.000000 290.51 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:35:48 2008, MaxMem= 1258291200 cpu: 263.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27237 -10.35365 -4.34333 -4.30002 -4.29966 Alpha occ. eigenvalues -- -4.29926 -4.28392 -4.28352 -4.28310 -4.27174 Alpha occ. eigenvalues -- -2.85416 -2.84719 -2.84717 -2.80837 -2.80788 Alpha occ. eigenvalues -- -2.80766 -2.80680 -2.80658 -2.80637 -2.80624 Alpha occ. eigenvalues -- -2.80592 -2.80558 -2.79312 -2.79270 -2.79228 Alpha occ. eigenvalues -- -2.79028 -2.79021 -2.78992 -2.78985 -2.78956 Alpha occ. eigenvalues -- -2.78948 -2.78113 -2.77778 -2.77776 -1.18974 Alpha occ. eigenvalues -- -0.58884 -0.48531 -0.48530 -0.47541 -0.35820 Alpha occ. eigenvalues -- -0.33660 -0.33631 -0.32464 -0.32445 -0.32430 Alpha occ. eigenvalues -- -0.32111 -0.30895 -0.30731 -0.30711 -0.29868 Alpha occ. eigenvalues -- -0.29854 -0.29333 -0.29027 -0.28560 -0.28537 Alpha occ. eigenvalues -- -0.28444 -0.28432 -0.27400 -0.27387 -0.26712 Alpha occ. eigenvalues -- -0.26507 -0.26487 -0.26363 -0.26239 -0.26206 Alpha occ. eigenvalues -- -0.26097 -0.25838 -0.25810 -0.25755 -0.25730 Alpha occ. eigenvalues -- -0.25652 -0.25256 -0.25227 -0.25213 -0.24793 Alpha occ. eigenvalues -- -0.24788 -0.24741 -0.24615 -0.24269 -0.24264 Alpha occ. eigenvalues -- -0.20313 -0.20253 -0.18616 Alpha virt. eigenvalues -- -0.08700 -0.08688 -0.07935 -0.07118 -0.07021 Alpha virt. eigenvalues -- -0.04051 -0.03127 -0.03057 -0.00772 -0.00521 Alpha virt. eigenvalues -- -0.00425 0.01678 0.02142 0.02542 0.02850 Alpha virt. eigenvalues -- 0.03206 0.03896 0.03987 0.04236 0.04360 Alpha virt. eigenvalues -- 0.04528 0.05126 0.05457 0.06313 0.07018 Alpha virt. eigenvalues -- 0.07097 0.07234 0.07843 0.07979 0.08367 Alpha virt. eigenvalues -- 0.08578 0.08691 0.08752 0.10651 0.10724 Alpha virt. eigenvalues -- 0.10854 0.11123 0.12011 0.12117 0.15531 Alpha virt. eigenvalues -- 0.15756 0.19807 0.21150 0.22838 0.22904 Alpha virt. eigenvalues -- 0.24448 0.24945 0.25021 0.25982 0.28800 Alpha virt. eigenvalues -- 0.29056 0.30499 0.32122 0.32425 0.34615 Alpha virt. eigenvalues -- 0.39465 0.39764 0.53290 0.64048 0.65888 Alpha virt. eigenvalues -- 0.65915 0.67500 0.67527 0.67784 0.69806 Alpha virt. eigenvalues -- 0.70973 0.71089 0.74748 0.75040 0.79142 Alpha virt. eigenvalues -- 0.79601 0.79657 0.83428 0.86060 0.86085 Alpha virt. eigenvalues -- 0.86444 0.86937 0.87126 0.88292 0.88423 Alpha virt. eigenvalues -- 0.89084 0.93543 0.99736 1.05844 1.05891 Alpha virt. eigenvalues -- 1.06058 1.06067 1.08677 1.17179 1.17920 Alpha virt. eigenvalues -- 1.18038 1.23180 1.23339 1.28242 1.31047 Alpha virt. eigenvalues -- 1.31085 1.31749 1.31803 1.32228 1.33033 Alpha virt. eigenvalues -- 1.33121 1.35464 1.52314 1.64003 1.84055 Alpha virt. eigenvalues -- 1.84206 2.02098 2.30491 2.31043 3.67562 Alpha virt. eigenvalues -- 11.93950 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.361620 -0.107718 -0.017100 -0.092203 -0.109601 -0.232351 2 Cu -0.107718 19.145822 -0.104802 0.080832 0.089161 -0.032018 3 Cu -0.017100 -0.104802 19.338331 -0.090314 0.037211 -0.231224 4 Cu -0.092203 0.080832 -0.090314 19.056353 0.080814 0.113169 5 Cu -0.109601 0.089161 0.037211 0.080814 19.131859 -0.031770 6 Cu -0.232351 -0.032018 -0.231224 0.113169 -0.031770 19.348982 7 Cu 0.037065 0.088511 -0.107024 0.079449 0.089050 -0.030603 8 Cu -0.018888 0.041190 -0.019708 -0.089377 -0.102630 -0.225579 9 C 0.011741 0.012188 0.012116 -0.003628 0.013563 0.147222 10 O -0.001170 -0.008075 -0.001082 0.000031 -0.008946 0.042478 7 8 9 10 1 Cu 0.037065 -0.018888 0.011741 -0.001170 2 Cu 0.088511 0.041190 0.012188 -0.008075 3 Cu -0.107024 -0.019708 0.012116 -0.001082 4 Cu 0.079449 -0.089377 -0.003628 0.000031 5 Cu 0.089050 -0.102630 0.013563 -0.008946 6 Cu -0.030603 -0.225579 0.147222 0.042478 7 Cu 19.109541 -0.102781 0.013353 -0.008770 8 Cu -0.102781 19.315072 0.011178 -0.001674 9 C 0.013353 0.011178 5.095145 0.555966 10 O -0.008770 -0.001674 0.555966 7.542775 Mulliken atomic charges: 1 1 Cu 0.168605 2 Cu -0.205090 3 Cu 0.183596 4 Cu -0.135126 5 Cu -0.188711 6 Cu 0.131696 7 Cu -0.167790 8 Cu 0.193198 9 C 0.131156 10 O -0.111533 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.168605 2 Cu -0.205090 3 Cu 0.183596 4 Cu -0.135126 5 Cu -0.188711 6 Cu 0.131696 7 Cu -0.167790 8 Cu 0.193198 9 C 0.131156 10 O -0.111533 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.086650 2 Cu -0.090880 3 Cu 0.093012 4 Cu -0.109750 5 Cu -0.070915 6 Cu -0.073328 7 Cu -0.045295 8 Cu 0.098344 9 C 0.989350 10 O -0.877188 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.086650 2 Cu -0.090880 3 Cu 0.093012 4 Cu -0.109750 5 Cu -0.070915 6 Cu -0.073328 7 Cu -0.045295 8 Cu 0.098344 9 C 0.989350 10 O -0.877188 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3720.8396 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -1.1056 Y= -0.3293 Z= 0.0242 Tot= 1.1539 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.3391 YY= -117.4599 ZZ= -112.0668 XY= 3.5880 XZ= -0.2809 YZ= 0.7236 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.9495 YY= -3.1713 ZZ= 2.2218 XY= 3.5880 XZ= -0.2809 YZ= 0.7236 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 2.5318 YYY= 205.4797 ZZZ= -87.0256 XYY= -22.6181 XXY= 62.4826 XXZ= -40.1297 XZZ= 4.4376 YZZ= 55.0302 YYZ= -40.9846 XYZ= -0.6134 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1301.1439 YYYY= -2277.4042 ZZZZ= -1088.2274 XXXY= 248.8406 XXXZ= -38.8391 YYYX= 317.5639 YYYZ= 139.2010 ZZZX= -12.1586 ZZZY= 79.0941 XXYY= -590.0941 XXZZ= -404.7076 YYZZ= -550.3330 XXYZ= 47.4844 YYXZ= -6.8960 ZZXY= 76.6770 N-N= 2.113946929838D+03 E-N=-8.338201097722D+03 KE= 1.132186127210D+03 Exact polarizability: 283.690 -23.736 316.021 1.430 -5.360 271.808 Approx polarizability: 630.063 -45.600 693.360 3.458 -10.157 607.604 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:35:49 2008, MaxMem= 1258291200 cpu: 1.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole =-4.34988045D-01-1.29540187D-01 9.53792566D-03 Polarizability= 2.83689641D+02-2.37356601D+01 3.16021207D+02 1.43015687D+00-5.36011191D+00 2.71807762D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000158830 0.000161273 -0.000073842 2 29 0.000080035 -0.000057848 0.000086235 3 29 -0.000158845 0.000045244 0.000075125 4 29 0.000227565 0.000110674 -0.000016921 5 29 0.000163832 -0.000072465 -0.000060956 6 29 0.000027013 -0.000308842 0.000229719 7 29 0.000072768 -0.000094624 -0.000021453 8 29 -0.000090309 -0.000042830 -0.000093440 9 6 -0.001286509 0.002038996 -0.000376946 10 8 0.001123280 -0.001779577 0.000252479 ------------------------------------------------------------------- Cartesian Forces: Max 0.002038996 RMS 0.000601009 Leave Link 716 at Fri Apr 11 14:35:49 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=1 IStep= 1. Leave Link 106 at Fri Apr 11 14:35:49 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 2113.9730783275 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 14:35:50 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 14:35:53 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 2113.9992268165 hartrees. Leave Link 303 at Fri Apr 11 14:35:53 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 14:35:54 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= -1682.75049843657 DIIS: error= 1.10D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.75049843657 IErMin= 1 ErrMin= 1.10D-03 ErrMax= 1.10D-03 EMaxC= 1.00D-01 BMatC= 9.76D-05 BMatP= 9.76D-05 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.10D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.106 Goal= None Shift= 0.000 GapD= 0.106 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1. RMSDP=4.24D-04 MaxDP=8.81D-03 OVMax= 3.53D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.74981171437 Delta-E= 0.000686722199 Rises=F Damp=F DIIS: error= 1.68D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1682.75049843657 IErMin= 1 ErrMin= 1.10D-03 ErrMax= 1.68D-03 EMaxC= 1.00D-01 BMatC= 5.01D-04 BMatP= 9.76D-05 IDIUse=3 WtCom= 1.96D-01 WtEn= 8.04D-01 Coeff-Com: 0.717D+00 0.283D+00 Coeff-En: 0.689D+00 0.311D+00 Coeff: 0.695D+00 0.305D+00 Gap= 0.103 Goal= None Shift= 0.000 RMSDP=2.99D-04 MaxDP=5.32D-03 DE= 6.87D-04 OVMax= 1.70D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.75094937923 Delta-E= -0.001137664860 Rises=F Damp=F DIIS: error= 3.75D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.75094937923 IErMin= 3 ErrMin= 3.75D-04 ErrMax= 3.75D-04 EMaxC= 1.00D-01 BMatC= 7.19D-05 BMatP= 9.76D-05 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.75D-03 Coeff-Com: 0.450D+00 0.207D+00 0.343D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.449D+00 0.206D+00 0.345D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=6.55D-05 MaxDP=1.03D-03 DE=-1.14D-03 OVMax= 1.67D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.75100243828 Delta-E= -0.000053059048 Rises=F Damp=F DIIS: error= 5.97D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.75100243828 IErMin= 4 ErrMin= 5.97D-05 ErrMax= 5.97D-05 EMaxC= 1.00D-01 BMatC= 2.15D-06 BMatP= 7.19D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.122D+00 0.373D-01 0.126D+00 0.715D+00 Coeff: 0.122D+00 0.373D-01 0.126D+00 0.715D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=2.62D-05 MaxDP=5.38D-04 DE=-5.31D-05 OVMax= 7.98D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.75100432129 Delta-E= -0.000001883008 Rises=F Damp=F DIIS: error= 5.10D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.75100432129 IErMin= 5 ErrMin= 5.10D-05 ErrMax= 5.10D-05 EMaxC= 1.00D-01 BMatC= 1.60D-06 BMatP= 2.15D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.309D-01-0.107D-02 0.265D-01 0.497D+00 0.446D+00 Coeff: 0.309D-01-0.107D-02 0.265D-01 0.497D+00 0.446D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=1.26D-05 MaxDP=2.39D-04 DE=-1.88D-06 OVMax= 2.21D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.75100508421 Delta-E= -0.000000762928 Rises=F Damp=F DIIS: error= 2.77D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.75100508421 IErMin= 6 ErrMin= 2.77D-05 ErrMax= 2.77D-05 EMaxC= 1.00D-01 BMatC= 5.03D-07 BMatP= 1.60D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.195D-02-0.718D-02-0.187D-01 0.156D+00 0.391D+00 0.481D+00 Coeff: -0.195D-02-0.718D-02-0.187D-01 0.156D+00 0.391D+00 0.481D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=5.84D-06 MaxDP=1.00D-04 DE=-7.63D-07 OVMax= 1.56D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.75100543876 Delta-E= -0.000000354546 Rises=F Damp=F DIIS: error= 1.30D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.75100543876 IErMin= 7 ErrMin= 1.30D-05 ErrMax= 1.30D-05 EMaxC= 1.00D-01 BMatC= 9.01D-08 BMatP= 5.03D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.487D-02-0.562D-02-0.184D-01 0.633D-01 0.270D+00 0.381D+00 Coeff-Com: 0.316D+00 Coeff: -0.487D-02-0.562D-02-0.184D-01 0.633D-01 0.270D+00 0.381D+00 Coeff: 0.316D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=2.29D-06 MaxDP=3.90D-05 DE=-3.55D-07 OVMax= 6.78D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.75100550491 Delta-E= -0.000000066145 Rises=F Damp=F DIIS: error= 2.46D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.75100550491 IErMin= 8 ErrMin= 2.46D-06 ErrMax= 2.46D-06 EMaxC= 1.00D-01 BMatC= 4.55D-09 BMatP= 9.01D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.206D-02-0.221D-02-0.745D-02 0.147D-01 0.109D+00 0.161D+00 Coeff-Com: 0.211D+00 0.516D+00 Coeff: -0.206D-02-0.221D-02-0.745D-02 0.147D-01 0.109D+00 0.161D+00 Coeff: 0.211D+00 0.516D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=7.17D-07 MaxDP=1.21D-05 DE=-6.61D-08 OVMax= 3.87D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.75100550945 Delta-E= -0.000000004544 Rises=F Damp=F DIIS: error= 1.04D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.75100550945 IErMin= 9 ErrMin= 1.04D-06 ErrMax= 1.04D-06 EMaxC= 1.00D-01 BMatC= 5.81D-10 BMatP= 4.55D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.642D-03-0.445D-03-0.137D-02-0.480D-02 0.157D-01 0.284D-01 Coeff-Com: 0.737D-01 0.318D+00 0.572D+00 Coeff: -0.642D-03-0.445D-03-0.137D-02-0.480D-02 0.157D-01 0.284D-01 Coeff: 0.737D-01 0.318D+00 0.572D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=2.90D-07 MaxDP=5.60D-06 DE=-4.54D-09 OVMax= 1.24D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.75100551019 Delta-E= -0.000000000737 Rises=F Damp=F DIIS: error= 5.71D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.75100551019 IErMin=10 ErrMin= 5.71D-07 ErrMax= 5.71D-07 EMaxC= 1.00D-01 BMatC= 9.97D-11 BMatP= 5.81D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.876D-04 0.397D-04 0.253D-03-0.510D-02-0.637D-02-0.654D-02 Coeff-Com: 0.121D-01 0.140D+00 0.333D+00 0.533D+00 Coeff: -0.876D-04 0.397D-04 0.253D-03-0.510D-02-0.637D-02-0.654D-02 Coeff: 0.121D-01 0.140D+00 0.333D+00 0.533D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=1.20D-07 MaxDP=2.24D-06 DE=-7.37D-10 OVMax= 2.95D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.75100551024 Delta-E= -0.000000000057 Rises=F Damp=F DIIS: error= 2.91D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.75100551024 IErMin=11 ErrMin= 2.91D-07 ErrMax= 2.91D-07 EMaxC= 1.00D-01 BMatC= 3.23D-11 BMatP= 9.97D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.413D-04 0.820D-04 0.288D-03-0.233D-02-0.561D-02-0.771D-02 Coeff-Com: -0.451D-02 0.447D-01 0.956D-01 0.389D+00 0.490D+00 Coeff: 0.413D-04 0.820D-04 0.288D-03-0.233D-02-0.561D-02-0.771D-02 Coeff: -0.451D-02 0.447D-01 0.956D-01 0.389D+00 0.490D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=7.30D-08 MaxDP=1.82D-06 DE=-5.68D-11 OVMax= 3.76D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.75100551028 Delta-E= -0.000000000040 Rises=F Damp=F DIIS: error= 1.38D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.75100551028 IErMin=12 ErrMin= 1.38D-07 ErrMax= 1.38D-07 EMaxC= 1.00D-01 BMatC= 2.05D-12 BMatP= 3.23D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.431D-04 0.403D-04 0.116D-03-0.403D-03-0.204D-02-0.336D-02 Coeff-Com: -0.393D-02 0.288D-02 0.544D-04 0.118D+00 0.278D+00 0.611D+00 Coeff: 0.431D-04 0.403D-04 0.116D-03-0.403D-03-0.204D-02-0.336D-02 Coeff: -0.393D-02 0.288D-02 0.544D-04 0.118D+00 0.278D+00 0.611D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=2.84D-08 MaxDP=5.62D-07 DE=-3.96D-11 OVMax= 1.42D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.75100551029 Delta-E= -0.000000000012 Rises=F Damp=F DIIS: error= 4.32D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.75100551029 IErMin=13 ErrMin= 4.32D-08 ErrMax= 4.32D-08 EMaxC= 1.00D-01 BMatC= 7.26D-13 BMatP= 2.05D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.303D-04 0.244D-04 0.654D-04-0.128D-03-0.110D-02-0.181D-02 Coeff-Com: -0.243D-02-0.996D-03-0.748D-02 0.542D-01 0.160D+00 0.429D+00 Coeff-Com: 0.371D+00 Coeff: 0.303D-04 0.244D-04 0.654D-04-0.128D-03-0.110D-02-0.181D-02 Coeff: -0.243D-02-0.996D-03-0.748D-02 0.542D-01 0.160D+00 0.429D+00 Coeff: 0.371D+00 Gap= 0.102 Goal= None Shift= 0.000 RMSDP=9.02D-09 MaxDP=2.62D-07 DE=-1.18D-11 OVMax= 2.75D-07 SCF Done: E(RB+HF-LYP) = -1682.75100551 A.U. after 13 cycles Convg = 0.9020D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132174170905D+03 PE=-8.338215846846D+03 EE= 3.409291443614D+03 Leave Link 502 at Fri Apr 11 14:36:35 2008, MaxMem= 1258291200 cpu: 128.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.11935080D+02 Leave Link 801 at Fri Apr 11 14:36:36 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 14:36:44 2008, MaxMem= 1258291200 cpu: 20.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 10. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Fri Apr 11 14:36:44 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 14:37:54 2008, MaxMem= 1258291200 cpu: 269.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1002.exe) Minotr: Closed-shell wavefunction. Direct CPHF calculation. Solving linear equations simultaneously. Differentiating once with respect to electric field. with respect to dipole field. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F. MDV= 1258291118 using IRadAn= 2. Generate precomputed XC quadrature information. Store integrals in memory, NReq= 246256364. Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. CalDSu exits because no D1Ps are significant. There are 3 degrees of freedom in the 1st order CPHF. 3 vectors were produced by pass 0. AX will form 3 AO Fock derivatives at one time. 3 vectors were produced by pass 1. 3 vectors were produced by pass 2. 3 vectors were produced by pass 3. 3 vectors were produced by pass 4. 3 vectors were produced by pass 5. 3 vectors were produced by pass 6. 3 vectors were produced by pass 7. 3 vectors were produced by pass 8. 3 vectors were produced by pass 9. 3 vectors were produced by pass 10. 3 vectors were produced by pass 11. 3 vectors were produced by pass 12. 3 vectors were produced by pass 13. 3 vectors were produced by pass 14. 3 vectors were produced by pass 15. 3 vectors were produced by pass 16. 1 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 1.02D-15 Conv= 1.00D-12. Inverted reduced A of dimension 52 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.285134D+03 2 -0.253077D+02 0.319497D+03 3 0.365177D+01 -0.463290D+01 0.271437D+03 Isotropic polarizability for W= 0.000000 292.02 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:39:06 2008, MaxMem= 1258291200 cpu: 254.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26994 -10.35103 -4.34287 -4.30102 -4.30076 Alpha occ. eigenvalues -- -4.30043 -4.28459 -4.28410 -4.28373 -4.27359 Alpha occ. eigenvalues -- -2.85360 -2.84682 -2.84678 -2.80943 -2.80884 Alpha occ. eigenvalues -- -2.80872 -2.80782 -2.80764 -2.80748 -2.80733 Alpha occ. eigenvalues -- -2.80706 -2.80679 -2.79377 -2.79327 -2.79290 Alpha occ. eigenvalues -- -2.79098 -2.79090 -2.79052 -2.79046 -2.79019 Alpha occ. eigenvalues -- -2.79011 -2.78298 -2.77959 -2.77957 -1.18645 Alpha occ. eigenvalues -- -0.58483 -0.48157 -0.48150 -0.47301 -0.35911 Alpha occ. eigenvalues -- -0.33664 -0.33651 -0.32478 -0.32452 -0.32435 Alpha occ. eigenvalues -- -0.32179 -0.30981 -0.30813 -0.30793 -0.29957 Alpha occ. eigenvalues -- -0.29948 -0.29416 -0.29110 -0.28639 -0.28628 Alpha occ. eigenvalues -- -0.28548 -0.28538 -0.27485 -0.27470 -0.26791 Alpha occ. eigenvalues -- -0.26579 -0.26555 -0.26432 -0.26318 -0.26287 Alpha occ. eigenvalues -- -0.26177 -0.25916 -0.25885 -0.25835 -0.25813 Alpha occ. eigenvalues -- -0.25741 -0.25331 -0.25321 -0.25283 -0.24932 Alpha occ. eigenvalues -- -0.24923 -0.24912 -0.24695 -0.24424 -0.24423 Alpha occ. eigenvalues -- -0.20366 -0.20311 -0.18796 Alpha virt. eigenvalues -- -0.08567 -0.08548 -0.07995 -0.07128 -0.07066 Alpha virt. eigenvalues -- -0.04494 -0.03153 -0.03104 -0.00822 -0.00596 Alpha virt. eigenvalues -- -0.00551 0.02031 0.02177 0.02448 0.02760 Alpha virt. eigenvalues -- 0.02868 0.03788 0.04017 0.04070 0.04298 Alpha virt. eigenvalues -- 0.04430 0.04835 0.05014 0.05882 0.06639 Alpha virt. eigenvalues -- 0.06986 0.07189 0.07890 0.08114 0.08451 Alpha virt. eigenvalues -- 0.08556 0.08569 0.08637 0.10353 0.10412 Alpha virt. eigenvalues -- 0.10600 0.10708 0.11847 0.11939 0.15300 Alpha virt. eigenvalues -- 0.15546 0.20070 0.21676 0.22741 0.22784 Alpha virt. eigenvalues -- 0.24341 0.24824 0.24912 0.25687 0.28755 Alpha virt. eigenvalues -- 0.29094 0.30259 0.31912 0.32226 0.34689 Alpha virt. eigenvalues -- 0.39886 0.40068 0.53800 0.64096 0.66002 Alpha virt. eigenvalues -- 0.66031 0.67426 0.67438 0.68049 0.69836 Alpha virt. eigenvalues -- 0.70822 0.70943 0.74998 0.75238 0.79078 Alpha virt. eigenvalues -- 0.79658 0.79690 0.83540 0.85893 0.85921 Alpha virt. eigenvalues -- 0.86374 0.86887 0.87083 0.88220 0.88340 Alpha virt. eigenvalues -- 0.89007 0.93544 0.99714 1.05778 1.05799 Alpha virt. eigenvalues -- 1.05944 1.05959 1.08642 1.16954 1.17879 Alpha virt. eigenvalues -- 1.18002 1.23093 1.23281 1.28156 1.30996 Alpha virt. eigenvalues -- 1.31033 1.31581 1.31597 1.32114 1.32969 Alpha virt. eigenvalues -- 1.33036 1.35428 1.52170 1.64364 1.83915 Alpha virt. eigenvalues -- 1.84128 2.01864 2.30291 2.31140 3.67409 Alpha virt. eigenvalues -- 11.94107 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.328149 -0.105982 -0.018896 -0.091945 -0.105807 -0.226928 2 Cu -0.105982 19.099178 -0.110285 0.080779 0.086860 -0.025189 3 Cu -0.018896 -0.110285 19.352552 -0.094683 0.037984 -0.229413 4 Cu -0.091945 0.080779 -0.094683 19.086022 0.082502 0.116927 5 Cu -0.105807 0.086860 0.037984 0.082502 19.121472 -0.028101 6 Cu -0.226928 -0.025189 -0.229413 0.116927 -0.028101 19.337750 7 Cu 0.039665 0.087897 -0.107865 0.083079 0.089815 -0.030277 8 Cu -0.019471 0.040416 -0.018808 -0.097587 -0.111737 -0.226900 9 C 0.011747 0.012472 0.011820 -0.003898 0.014029 0.142526 10 O -0.000936 -0.007611 -0.000930 0.000048 -0.008759 0.041905 7 8 9 10 1 Cu 0.039665 -0.019471 0.011747 -0.000936 2 Cu 0.087897 0.040416 0.012472 -0.007611 3 Cu -0.107865 -0.018808 0.011820 -0.000930 4 Cu 0.083079 -0.097587 -0.003898 0.000048 5 Cu 0.089815 -0.111737 0.014029 -0.008759 6 Cu -0.030277 -0.226900 0.142526 0.041905 7 Cu 19.141564 -0.109501 0.014041 -0.008858 8 Cu -0.109501 19.370414 0.010655 -0.001596 9 C 0.014041 0.010655 5.092848 0.559614 10 O -0.008858 -0.001596 0.559614 7.524416 Mulliken atomic charges: 1 1 Cu 0.190404 2 Cu -0.158535 3 Cu 0.178524 4 Cu -0.161244 5 Cu -0.178258 6 Cu 0.127699 7 Cu -0.199560 8 Cu 0.164115 9 C 0.134147 10 O -0.097293 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.190404 2 Cu -0.158535 3 Cu 0.178524 4 Cu -0.161244 5 Cu -0.178258 6 Cu 0.127699 7 Cu -0.199560 8 Cu 0.164115 9 C 0.134147 10 O -0.097293 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.093827 2 Cu -0.036471 3 Cu 0.087915 4 Cu -0.141183 5 Cu -0.060540 6 Cu -0.073218 7 Cu -0.085908 8 Cu 0.082716 9 C 0.975068 10 O -0.842206 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.093827 2 Cu -0.036471 3 Cu 0.087915 4 Cu -0.141183 5 Cu -0.060540 6 Cu -0.073218 7 Cu -0.085908 8 Cu 0.082716 9 C 0.975068 10 O -0.842206 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3721.0625 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 1.6214 Y= -0.5650 Z= 0.0491 Tot= 1.7178 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.8609 YY= -117.5570 ZZ= -111.7477 XY= 2.5299 XZ= -0.2745 YZ= 0.2883 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.5277 YY= -3.1685 ZZ= 2.6408 XY= 2.5299 XZ= -0.2745 YZ= 0.2883 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 26.8370 YYY= 199.3805 ZZZ= -86.2613 XYY= -10.3498 XXY= 61.0351 XXZ= -41.3428 XZZ= 12.1405 YZZ= 54.7837 YYZ= -39.1980 XYZ= -0.6045 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1307.8073 YYYY= -2267.8895 ZZZZ= -1082.6359 XXXY= 241.0613 XXXZ= -43.1295 YYYX= 301.7004 YYYZ= 132.5857 ZZZX= -8.4506 ZZZY= 77.0185 XXYY= -596.0925 XXZZ= -403.8448 YYZZ= -550.8716 XXYZ= 44.4223 YYXZ= -5.7745 ZZXY= 73.7968 N-N= 2.113999226817D+03 E-N=-8.338215878381D+03 KE= 1.132174170905D+03 Exact polarizability: 285.134 -25.308 319.497 3.652 -4.633 271.437 Approx polarizability: 632.144 -44.435 692.165 6.231 -8.371 608.434 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:39:07 2008, MaxMem= 1258291200 cpu: 1.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 6.37926034D-01-2.22277443D-01 1.93215539D-02 Polarizability= 2.85134050D+02-2.53076549D+01 3.19497432D+02 3.65176742D+00-4.63290347D+00 2.71436628D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000295814 -0.000108075 -0.000038035 2 29 -0.000004729 0.000053804 -0.000064821 3 29 0.000193236 -0.000103186 -0.000071062 4 29 -0.000281603 -0.000038638 -0.000005334 5 29 -0.000151541 0.000027081 -0.000019539 6 29 -0.000043688 0.000399584 0.000150451 7 29 -0.000138630 0.000164329 0.000043097 8 29 -0.000013231 -0.000144749 0.000069608 9 6 0.001100337 -0.002122491 0.000151993 10 8 -0.000955965 0.001872341 -0.000216357 ------------------------------------------------------------------- Cartesian Forces: Max 0.002122491 RMS 0.000598027 Leave Link 716 at Fri Apr 11 14:39:07 2008, MaxMem= 1258291200 cpu: 0.5 (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 14:39:08 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0000 0.0019 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 2113.9730783275 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 14:39:08 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 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 14:39:11 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 2113.6776042522 hartrees. Leave Link 303 at Fri Apr 11 14:39:12 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 14:39:12 2008, MaxMem= 1258291200 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 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= -1682.75063899256 DIIS: error= 1.20D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.75063899256 IErMin= 1 ErrMin= 1.20D-03 ErrMax= 1.20D-03 EMaxC= 1.00D-01 BMatC= 1.07D-04 BMatP= 1.07D-04 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.20D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.110 Goal= None Shift= 0.000 GapD= 0.110 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1. RMSDP=4.42D-04 MaxDP=8.05D-03 OVMax= 3.88D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.74997454887 Delta-E= 0.000664443688 Rises=F Damp=F DIIS: error= 1.97D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1682.75063899256 IErMin= 1 ErrMin= 1.20D-03 ErrMax= 1.97D-03 EMaxC= 1.00D-01 BMatC= 5.32D-04 BMatP= 1.07D-04 IDIUse=3 WtCom= 1.84D-01 WtEn= 8.16D-01 Coeff-Com: 0.717D+00 0.283D+00 Coeff-En: 0.675D+00 0.325D+00 Coeff: 0.683D+00 0.317D+00 Gap= 0.105 Goal= None Shift= 0.000 RMSDP=3.10D-04 MaxDP=6.16D-03 DE= 6.64D-04 OVMax= 1.81D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.75115380382 Delta-E= -0.001179254950 Rises=F Damp=F DIIS: error= 3.83D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.75115380382 IErMin= 3 ErrMin= 3.83D-04 ErrMax= 3.83D-04 EMaxC= 1.00D-01 BMatC= 7.06D-05 BMatP= 1.07D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.83D-03 Coeff-Com: 0.427D+00 0.201D+00 0.371D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.426D+00 0.201D+00 0.374D+00 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=7.71D-05 MaxDP=1.36D-03 DE=-1.18D-03 OVMax= 1.43D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.75120151799 Delta-E= -0.000047714169 Rises=F Damp=F DIIS: error= 9.97D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.75120151799 IErMin= 4 ErrMin= 9.97D-05 ErrMax= 9.97D-05 EMaxC= 1.00D-01 BMatC= 6.28D-06 BMatP= 7.06D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.117D+00 0.326D-01 0.207D+00 0.644D+00 Coeff: 0.117D+00 0.326D-01 0.207D+00 0.644D+00 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.83D-05 MaxDP=4.26D-04 DE=-4.77D-05 OVMax= 1.19D-03 Cycle 5 Pass 1 IDiag 1: E= -1682.75120650693 Delta-E= -0.000004988940 Rises=F Damp=F DIIS: error= 6.04D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.75120650693 IErMin= 5 ErrMin= 6.04D-05 ErrMax= 6.04D-05 EMaxC= 1.00D-01 BMatC= 1.82D-06 BMatP= 6.28D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.392D-01-0.118D-03 0.834D-01 0.442D+00 0.436D+00 Coeff: 0.392D-01-0.118D-03 0.834D-01 0.442D+00 0.436D+00 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.29D-05 MaxDP=2.47D-04 DE=-4.99D-06 OVMax= 3.26D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.75120730280 Delta-E= -0.000000795874 Rises=F Damp=F DIIS: error= 3.91D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.75120730280 IErMin= 6 ErrMin= 3.91D-05 ErrMax= 3.91D-05 EMaxC= 1.00D-01 BMatC= 7.23D-07 BMatP= 1.82D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.108D-02-0.715D-02-0.512D-02 0.147D+00 0.413D+00 0.450D+00 Coeff: 0.108D-02-0.715D-02-0.512D-02 0.147D+00 0.413D+00 0.450D+00 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=6.49D-06 MaxDP=1.23D-04 DE=-7.96D-07 OVMax= 1.94D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.75120786385 Delta-E= -0.000000561042 Rises=F Damp=F DIIS: error= 1.25D-05 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.75120786385 IErMin= 7 ErrMin= 1.25D-05 ErrMax= 1.25D-05 EMaxC= 1.00D-01 BMatC= 8.01D-08 BMatP= 7.23D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.321D-02-0.530D-02-0.140D-01 0.585D-01 0.280D+00 0.330D+00 Coeff-Com: 0.355D+00 Coeff: -0.321D-02-0.530D-02-0.140D-01 0.585D-01 0.280D+00 0.330D+00 Coeff: 0.355D+00 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=2.37D-06 MaxDP=4.88D-05 DE=-5.61D-07 OVMax= 6.01D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.75120791960 Delta-E= -0.000000055751 Rises=F Damp=F DIIS: error= 3.30D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.75120791960 IErMin= 8 ErrMin= 3.30D-06 ErrMax= 3.30D-06 EMaxC= 1.00D-01 BMatC= 7.94D-09 BMatP= 8.01D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.162D-02-0.171D-02-0.734D-02 0.635D-02 0.106D+00 0.122D+00 Coeff-Com: 0.253D+00 0.523D+00 Coeff: -0.162D-02-0.171D-02-0.734D-02 0.635D-02 0.106D+00 0.122D+00 Coeff: 0.253D+00 0.523D+00 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=9.32D-07 MaxDP=2.37D-05 DE=-5.58D-08 OVMax= 3.91D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.75120792774 Delta-E= -0.000000008144 Rises=F Damp=F DIIS: error= 1.30D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.75120792774 IErMin= 9 ErrMin= 1.30D-06 ErrMax= 1.30D-06 EMaxC= 1.00D-01 BMatC= 7.68D-10 BMatP= 7.94D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.958D-03-0.574D-03-0.351D-02-0.466D-02 0.307D-01 0.381D-01 Coeff-Com: 0.109D+00 0.313D+00 0.519D+00 Coeff: -0.958D-03-0.574D-03-0.351D-02-0.466D-02 0.307D-01 0.381D-01 Coeff: 0.109D+00 0.313D+00 0.519D+00 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=3.50D-07 MaxDP=8.01D-06 DE=-8.14D-09 OVMax= 1.13D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.75120792849 Delta-E= -0.000000000752 Rises=F Damp=F DIIS: error= 7.48D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.75120792849 IErMin=10 ErrMin= 7.48D-07 ErrMax= 7.48D-07 EMaxC= 1.00D-01 BMatC= 1.88D-10 BMatP= 7.68D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.277D-03-0.309D-05-0.750D-03-0.497D-02-0.309D-02-0.148D-02 Coeff-Com: 0.230D-01 0.126D+00 0.348D+00 0.513D+00 Coeff: -0.277D-03-0.309D-05-0.750D-03-0.497D-02-0.309D-02-0.148D-02 Coeff: 0.230D-01 0.126D+00 0.348D+00 0.513D+00 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.65D-07 MaxDP=3.68D-06 DE=-7.52D-10 OVMax= 5.00D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.75120792863 Delta-E= -0.000000000140 Rises=F Damp=F DIIS: error= 3.94D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.75120792863 IErMin=11 ErrMin= 3.94D-07 ErrMax= 3.94D-07 EMaxC= 1.00D-01 BMatC= 3.65D-11 BMatP= 1.88D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.237D-04 0.464D-04-0.109D-04-0.162D-02-0.467D-02-0.498D-02 Coeff-Com: -0.145D-02 0.258D-01 0.733D-01 0.336D+00 0.577D+00 Coeff: -0.237D-04 0.464D-04-0.109D-04-0.162D-02-0.467D-02-0.498D-02 Coeff: -0.145D-02 0.258D-01 0.733D-01 0.336D+00 0.577D+00 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=8.19D-08 MaxDP=1.77D-06 DE=-1.40D-10 OVMax= 4.96D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.75120792866 Delta-E= -0.000000000024 Rises=F Damp=F DIIS: error= 1.48D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.75120792866 IErMin=12 ErrMin= 1.48D-07 ErrMax= 1.48D-07 EMaxC= 1.00D-01 BMatC= 3.69D-12 BMatP= 3.65D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.373D-04 0.332D-04 0.130D-03-0.230D-03-0.256D-02-0.299D-02 Coeff-Com: -0.406D-02-0.316D-02-0.335D-02 0.129D+00 0.354D+00 0.532D+00 Coeff: 0.373D-04 0.332D-04 0.130D-03-0.230D-03-0.256D-02-0.299D-02 Coeff: -0.406D-02-0.316D-02-0.335D-02 0.129D+00 0.354D+00 0.532D+00 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=3.45D-08 MaxDP=6.07D-07 DE=-2.36D-11 OVMax= 1.97D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.75120792868 Delta-E= -0.000000000019 Rises=F Damp=F DIIS: error= 7.70D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.75120792868 IErMin=13 ErrMin= 7.70D-08 ErrMax= 7.70D-08 EMaxC= 1.00D-01 BMatC= 1.44D-12 BMatP= 3.69D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.331D-04 0.221D-04 0.104D-03-0.268D-04-0.150D-02-0.176D-02 Coeff-Com: -0.279D-02-0.443D-02-0.114D-01 0.630D-01 0.213D+00 0.391D+00 Coeff-Com: 0.355D+00 Coeff: 0.331D-04 0.221D-04 0.104D-03-0.268D-04-0.150D-02-0.176D-02 Coeff: -0.279D-02-0.443D-02-0.114D-01 0.630D-01 0.213D+00 0.391D+00 Coeff: 0.355D+00 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=1.10D-08 MaxDP=2.68D-07 DE=-1.91D-11 OVMax= 2.90D-07 Cycle 14 Pass 1 IDiag 1: E= -1682.75120792867 Delta-E= 0.000000000008 Rises=F Damp=F DIIS: error= 1.73D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=13 EnMin= -1682.75120792868 IErMin=14 ErrMin= 1.73D-08 ErrMax= 1.73D-08 EMaxC= 1.00D-01 BMatC= 8.78D-14 BMatP= 1.44D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.107D-04 0.430D-05 0.289D-04 0.649D-04-0.230D-03-0.210D-03 Coeff-Com: -0.926D-03-0.292D-02-0.740D-02 0.159D-02 0.385D-01 0.125D+00 Coeff-Com: 0.197D+00 0.650D+00 Coeff: 0.107D-04 0.430D-05 0.289D-04 0.649D-04-0.230D-03-0.210D-03 Coeff: -0.926D-03-0.292D-02-0.740D-02 0.159D-02 0.385D-01 0.125D+00 Coeff: 0.197D+00 0.650D+00 Gap= 0.104 Goal= None Shift= 0.000 RMSDP=4.90D-09 MaxDP=8.18D-08 DE= 7.73D-12 OVMax= 1.42D-07 SCF Done: E(RB+HF-LYP) = -1682.75120793 A.U. after 14 cycles Convg = 0.4901D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132168976117D+03 PE=-8.337877993629D+03 EE= 3.409280205331D+03 Leave Link 502 at Fri Apr 11 14:39:52 2008, MaxMem= 1258291200 cpu: 137.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.11935663D+02 Leave Link 801 at Fri Apr 11 14:39:53 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2742 LenP2D= 11498. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 14:39:59 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 14:40:00 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 14:41:08 2008, MaxMem= 1258291200 cpu: 268.5 (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. 1 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 7.26D-16 Conv= 1.00D-12. Inverted reduced A of dimension 52 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.284716D+03 2 -0.263209D+02 0.321470D+03 3 0.229288D+01 -0.555311D+01 0.271981D+03 Isotropic polarizability for W= 0.000000 292.72 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:42:25 2008, MaxMem= 1258291200 cpu: 266.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.26668 -10.34765 -4.34058 -4.29942 -4.29913 Alpha occ. eigenvalues -- -4.29891 -4.28255 -4.28240 -4.28212 -4.27231 Alpha occ. eigenvalues -- -2.85128 -2.84456 -2.84456 -2.80783 -2.80722 Alpha occ. eigenvalues -- -2.80710 -2.80618 -2.80606 -2.80593 -2.80576 Alpha occ. eigenvalues -- -2.80546 -2.80527 -2.79174 -2.79157 -2.79129 Alpha occ. eigenvalues -- -2.78896 -2.78889 -2.78882 -2.78876 -2.78859 Alpha occ. eigenvalues -- -2.78851 -2.78170 -2.77830 -2.77829 -1.18279 Alpha occ. eigenvalues -- -0.58084 -0.47763 -0.47762 -0.46986 -0.35744 Alpha occ. eigenvalues -- -0.33467 -0.33447 -0.32298 -0.32241 -0.32223 Alpha occ. eigenvalues -- -0.31994 -0.30813 -0.30638 -0.30627 -0.29791 Alpha occ. eigenvalues -- -0.29782 -0.29245 -0.28940 -0.28473 -0.28457 Alpha occ. eigenvalues -- -0.28387 -0.28379 -0.27311 -0.27304 -0.26619 Alpha occ. eigenvalues -- -0.26397 -0.26387 -0.26257 -0.26141 -0.26123 Alpha occ. eigenvalues -- -0.26006 -0.25737 -0.25722 -0.25662 -0.25649 Alpha occ. eigenvalues -- -0.25574 -0.25161 -0.25157 -0.25105 -0.24782 Alpha occ. eigenvalues -- -0.24778 -0.24774 -0.24526 -0.24286 -0.24282 Alpha occ. eigenvalues -- -0.20174 -0.20140 -0.18668 Alpha virt. eigenvalues -- -0.08302 -0.08280 -0.07809 -0.06924 -0.06867 Alpha virt. eigenvalues -- -0.04496 -0.02954 -0.02923 -0.00540 -0.00491 Alpha virt. eigenvalues -- -0.00421 0.02451 0.02458 0.02715 0.02817 Alpha virt. eigenvalues -- 0.02908 0.03864 0.04077 0.04175 0.04454 Alpha virt. eigenvalues -- 0.04520 0.04987 0.05236 0.06017 0.06722 Alpha virt. eigenvalues -- 0.07108 0.07306 0.08248 0.08317 0.08674 Alpha virt. eigenvalues -- 0.08702 0.08714 0.08762 0.10426 0.10467 Alpha virt. eigenvalues -- 0.10694 0.10744 0.11989 0.12026 0.15472 Alpha virt. eigenvalues -- 0.15596 0.20356 0.22147 0.22893 0.22951 Alpha virt. eigenvalues -- 0.24495 0.24987 0.25064 0.25768 0.29059 Alpha virt. eigenvalues -- 0.29197 0.30361 0.32098 0.32267 0.34918 Alpha virt. eigenvalues -- 0.40219 0.40484 0.54248 0.64312 0.66263 Alpha virt. eigenvalues -- 0.66292 0.67591 0.67609 0.68361 0.70099 Alpha virt. eigenvalues -- 0.70982 0.71068 0.75297 0.75555 0.79254 Alpha virt. eigenvalues -- 0.79876 0.79945 0.83800 0.86032 0.86054 Alpha virt. eigenvalues -- 0.86547 0.87072 0.87264 0.88383 0.88519 Alpha virt. eigenvalues -- 0.89185 0.93757 0.99907 1.05943 1.05965 Alpha virt. eigenvalues -- 1.06108 1.06124 1.08831 1.17067 1.18097 Alpha virt. eigenvalues -- 1.18158 1.23280 1.23448 1.28324 1.31179 Alpha virt. eigenvalues -- 1.31215 1.31694 1.31738 1.32273 1.33131 Alpha virt. eigenvalues -- 1.33212 1.35622 1.52310 1.64741 1.84098 Alpha virt. eigenvalues -- 1.84266 2.01972 2.30587 2.31210 3.67557 Alpha virt. eigenvalues -- 11.94383 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.369335 -0.110904 -0.018230 -0.097478 -0.112434 -0.229032 2 Cu -0.110904 19.123100 -0.108835 0.082667 0.087993 -0.025584 3 Cu -0.018230 -0.108835 19.353228 -0.096128 0.038500 -0.228340 4 Cu -0.097478 0.082667 -0.096128 19.099058 0.083534 0.118722 5 Cu -0.112434 0.087993 0.038500 0.083534 19.121992 -0.026564 6 Cu -0.229032 -0.025584 -0.228340 0.118722 -0.026564 19.332951 7 Cu 0.038736 0.087324 -0.110447 0.082882 0.088209 -0.026230 8 Cu -0.019155 0.041541 -0.019750 -0.096351 -0.108060 -0.223571 9 C 0.011545 0.012771 0.011732 -0.004050 0.014214 0.140665 10 O -0.000942 -0.007722 -0.000849 0.000057 -0.008693 0.041613 7 8 9 10 1 Cu 0.038736 -0.019155 0.011545 -0.000942 2 Cu 0.087324 0.041541 0.012771 -0.007722 3 Cu -0.110447 -0.019750 0.011732 -0.000849 4 Cu 0.082882 -0.096351 -0.004050 0.000057 5 Cu 0.088209 -0.108060 0.014214 -0.008693 6 Cu -0.026230 -0.223571 0.140665 0.041613 7 Cu 19.106437 -0.108040 0.013995 -0.008558 8 Cu -0.108040 19.343325 0.010707 -0.001455 9 C 0.013995 0.010707 5.092305 0.561146 10 O -0.008558 -0.001455 0.561146 7.515967 Mulliken atomic charges: 1 1 Cu 0.168559 2 Cu -0.182352 3 Cu 0.179120 4 Cu -0.172913 5 Cu -0.178691 6 Cu 0.125370 7 Cu -0.164308 8 Cu 0.180810 9 C 0.134970 10 O -0.090563 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.168559 2 Cu -0.182352 3 Cu 0.179120 4 Cu -0.172913 5 Cu -0.178691 6 Cu 0.125370 7 Cu -0.164308 8 Cu 0.180810 9 C 0.134970 10 O -0.090563 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.082755 2 Cu -0.066490 3 Cu 0.087190 4 Cu -0.155212 5 Cu -0.061874 6 Cu -0.073195 7 Cu -0.043918 8 Cu 0.089004 9 C 0.968769 10 O -0.827029 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.082755 2 Cu -0.066490 3 Cu 0.087190 4 Cu -0.155212 5 Cu -0.061874 6 Cu -0.073195 7 Cu -0.043918 8 Cu 0.089004 9 C 0.968769 10 O -0.827029 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3720.0395 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.3783 Y= -1.9789 Z= 0.0594 Tot= 2.0156 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.4662 YY= -116.4484 ZZ= -111.8749 XY= 3.3579 XZ= -0.0825 YZ= 0.1792 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.4636 YY= -2.5186 ZZ= 2.0549 XY= 3.3579 XZ= -0.0825 YZ= 0.1792 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 15.2864 YYY= 183.4870 ZZZ= -86.2510 XYY= -13.2586 XXY= 55.9080 XXZ= -40.7649 XZZ= 8.3611 YZZ= 51.3047 YYZ= -39.4583 XYZ= -1.3650 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1302.9260 YYYY= -2247.3194 ZZZZ= -1084.1944 XXXY= 248.3286 XXXZ= -39.7826 YYYX= 309.1973 YYYZ= 131.2938 ZZZX= -9.5500 ZZZY= 74.9086 XXYY= -587.8156 XXZZ= -403.9484 YYZZ= -548.4217 XXYZ= 45.6924 YYXZ= -3.2127 ZZXY= 75.8434 N-N= 2.113677604252D+03 E-N=-8.337877979318D+03 KE= 1.132168976117D+03 Exact polarizability: 284.716 -26.321 321.470 2.293 -5.553 271.981 Approx polarizability: 630.771 -44.075 693.194 4.168 -9.409 609.763 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:42:26 2008, MaxMem= 1258291200 cpu: 1.9 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 1.48827728D-01-7.78561376D-01 2.33690286D-02 Polarizability= 2.84716014D+02-2.63208542D+01 3.21470348D+02 2.29288008D+00-5.55310777D+00 2.71981277D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000261973 -0.000114158 0.000030329 2 29 -0.000067063 0.000226969 0.000021205 3 29 0.000090647 -0.000326384 -0.000117524 4 29 0.000058232 0.000234566 -0.000000325 5 29 -0.000048592 0.000208628 -0.000030278 6 29 -0.000340286 0.000563322 0.000111545 7 29 -0.000137800 0.000170170 -0.000042631 8 29 -0.000037515 -0.000436331 0.000064713 9 6 0.001807253 -0.004141738 0.000385365 10 8 -0.001586850 0.003614957 -0.000422400 ------------------------------------------------------------------- Cartesian Forces: Max 0.004141738 RMS 0.001116501 Leave Link 716 at Fri Apr 11 14:42:26 2008, MaxMem= 1258291200 cpu: 0.5 (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 14:42:27 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l301.exe) Standard basis: LANL2DZ (5D, 7F) The following finite field(s) will be applied: An electric field of 0.0000 -0.0019 0.0000 Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 194 basis functions, 474 primitive gaussians, 210 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 2113.9730783275 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 14:42:27 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 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 14:42:30 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 2114.2685524027 hartrees. Leave Link 303 at Fri Apr 11 14:42:30 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. Leave Link 401 at Fri Apr 11 14:42:31 2008, MaxMem= 1258291200 cpu: 0.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 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= -1682.74997694885 DIIS: error= 1.20D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.74997694885 IErMin= 1 ErrMin= 1.20D-03 ErrMax= 1.20D-03 EMaxC= 1.00D-01 BMatC= 1.07D-04 BMatP= 1.07D-04 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.20D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.091 Goal= None Shift= 0.000 GapD= 0.091 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.50D-04 MaxDP=7.94D-03 OVMax= 3.71D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.75009926239 Delta-E= -0.000122313541 Rises=F Damp=T DIIS: error= 4.42D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.75009926239 IErMin= 2 ErrMin= 4.42D-04 ErrMax= 4.42D-04 EMaxC= 1.00D-01 BMatC= 8.30D-05 BMatP= 1.07D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.42D-03 Coeff-Com: 0.453D+00 0.547D+00 Coeff-En: 0.377D+00 0.623D+00 Coeff: 0.453D+00 0.547D+00 Gap= 0.096 Goal= None Shift= 0.000 RMSDP=1.99D-04 MaxDP=3.88D-03 DE=-1.22D-04 OVMax= 1.66D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.75047748224 Delta-E= -0.000378219847 Rises=F Damp=F DIIS: error= 3.48D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.75047748224 IErMin= 3 ErrMin= 3.48D-04 ErrMax= 3.48D-04 EMaxC= 1.00D-01 BMatC= 4.72D-05 BMatP= 8.30D-05 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.48D-03 Coeff-Com: 0.280D+00 0.291D+00 0.430D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.279D+00 0.290D+00 0.432D+00 Gap= 0.097 Goal= None Shift= 0.000 RMSDP=6.96D-05 MaxDP=1.26D-03 DE=-3.78D-04 OVMax= 3.33D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.75053598120 Delta-E= -0.000058498963 Rises=F Damp=F DIIS: error= 1.16D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.75053598120 IErMin= 4 ErrMin= 1.16D-04 ErrMax= 1.16D-04 EMaxC= 1.00D-01 BMatC= 6.03D-06 BMatP= 4.72D-05 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.16D-03 Coeff-Com: 0.111D+00 0.128D-01 0.234D+00 0.642D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.111D+00 0.128D-01 0.234D+00 0.642D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=2.91D-05 MaxDP=4.31D-04 DE=-5.85D-05 OVMax= 1.07D-03 Cycle 5 Pass 1 IDiag 1: E= -1682.75054111059 Delta-E= -0.000005129387 Rises=F Damp=F DIIS: error= 5.08D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.75054111059 IErMin= 5 ErrMin= 5.08D-05 ErrMax= 5.08D-05 EMaxC= 1.00D-01 BMatC= 1.15D-06 BMatP= 6.03D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.388D-01-0.185D-01 0.663D-01 0.383D+00 0.530D+00 Coeff: 0.388D-01-0.185D-01 0.663D-01 0.383D+00 0.530D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=1.19D-05 MaxDP=2.35D-04 DE=-5.13D-06 OVMax= 3.68D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.75054174788 Delta-E= -0.000000637288 Rises=F Damp=F DIIS: error= 3.06D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.75054174788 IErMin= 6 ErrMin= 3.06D-05 ErrMax= 3.06D-05 EMaxC= 1.00D-01 BMatC= 4.25D-07 BMatP= 1.15D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.641D-02-0.110D-01-0.773D-02 0.141D+00 0.434D+00 0.437D+00 Coeff: 0.641D-02-0.110D-01-0.773D-02 0.141D+00 0.434D+00 0.437D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=5.75D-06 MaxDP=1.09D-04 DE=-6.37D-07 OVMax= 1.55D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.75054207693 Delta-E= -0.000000329047 Rises=F Damp=F DIIS: error= 7.78D-06 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.75054207693 IErMin= 7 ErrMin= 7.78D-06 ErrMax= 7.78D-06 EMaxC= 1.00D-01 BMatC= 3.16D-08 BMatP= 4.25D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.529D-04-0.502D-02-0.132D-01 0.478D-01 0.234D+00 0.277D+00 Coeff-Com: 0.460D+00 Coeff: -0.529D-04-0.502D-02-0.132D-01 0.478D-01 0.234D+00 0.277D+00 Coeff: 0.460D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=1.68D-06 MaxDP=3.37D-05 DE=-3.29D-07 OVMax= 7.22D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.75054210500 Delta-E= -0.000000028074 Rises=F Damp=F DIIS: error= 4.77D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.75054210500 IErMin= 8 ErrMin= 4.77D-06 ErrMax= 4.77D-06 EMaxC= 1.00D-01 BMatC= 9.49D-09 BMatP= 3.16D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.915D-03-0.142D-02-0.919D-02 0.114D-01 0.114D+00 0.151D+00 Coeff-Com: 0.361D+00 0.373D+00 Coeff: -0.915D-03-0.142D-02-0.919D-02 0.114D-01 0.114D+00 0.151D+00 Coeff: 0.361D+00 0.373D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=8.19D-07 MaxDP=1.89D-05 DE=-2.81D-08 OVMax= 2.38D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.75054211116 Delta-E= -0.000000006158 Rises=F Damp=F DIIS: error= 1.82D-06 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.75054211116 IErMin= 9 ErrMin= 1.82D-06 ErrMax= 1.82D-06 EMaxC= 1.00D-01 BMatC= 1.58D-09 BMatP= 9.49D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.894D-03-0.376D-03-0.474D-02-0.191D-02 0.388D-01 0.576D-01 Coeff-Com: 0.159D+00 0.296D+00 0.456D+00 Coeff: -0.894D-03-0.376D-03-0.474D-02-0.191D-02 0.388D-01 0.576D-01 Coeff: 0.159D+00 0.296D+00 0.456D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=3.98D-07 MaxDP=7.98D-06 DE=-6.16D-09 OVMax= 1.24D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.75054211258 Delta-E= -0.000000001418 Rises=F Damp=F DIIS: error= 7.25D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.75054211258 IErMin=10 ErrMin= 7.25D-07 ErrMax= 7.25D-07 EMaxC= 1.00D-01 BMatC= 2.40D-10 BMatP= 1.58D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.356D-03 0.200D-03-0.872D-03-0.510D-02-0.384D-02 0.177D-02 Coeff-Com: 0.301D-01 0.139D+00 0.321D+00 0.518D+00 Coeff: -0.356D-03 0.200D-03-0.872D-03-0.510D-02-0.384D-02 0.177D-02 Coeff: 0.301D-01 0.139D+00 0.321D+00 0.518D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=1.84D-07 MaxDP=4.40D-06 DE=-1.42D-09 OVMax= 6.39D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.75054211275 Delta-E= -0.000000000170 Rises=F Damp=F DIIS: error= 4.94D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.75054211275 IErMin=11 ErrMin= 4.94D-07 ErrMax= 4.94D-07 EMaxC= 1.00D-01 BMatC= 5.98D-11 BMatP= 2.40D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.130D-03 0.115D-03-0.149D-03-0.260D-02-0.580D-02-0.416D-02 Coeff-Com: 0.230D-02 0.446D-01 0.123D+00 0.381D+00 0.462D+00 Coeff: -0.130D-03 0.115D-03-0.149D-03-0.260D-02-0.580D-02-0.416D-02 Coeff: 0.230D-02 0.446D-01 0.123D+00 0.381D+00 0.462D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=8.51D-08 MaxDP=2.24D-06 DE=-1.70D-10 OVMax= 4.74D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.75054211280 Delta-E= -0.000000000056 Rises=F Damp=F DIIS: error= 1.35D-07 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.75054211280 IErMin=12 ErrMin= 1.35D-07 ErrMax= 1.35D-07 EMaxC= 1.00D-01 BMatC= 2.80D-12 BMatP= 5.98D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.265D-04 0.211D-04 0.160D-03-0.219D-03-0.265D-02-0.297D-02 Coeff-Com: -0.451D-02-0.739D-02-0.302D-02 0.102D+00 0.226D+00 0.693D+00 Coeff: 0.265D-04 0.211D-04 0.160D-03-0.219D-03-0.265D-02-0.297D-02 Coeff: -0.451D-02-0.739D-02-0.302D-02 0.102D+00 0.226D+00 0.693D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=3.35D-08 MaxDP=6.21D-07 DE=-5.64D-11 OVMax= 2.06D-06 Cycle 13 Pass 1 IDiag 1: E= -1682.75054211281 Delta-E= -0.000000000004 Rises=F Damp=F DIIS: error= 4.55D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.75054211281 IErMin=13 ErrMin= 4.55D-08 ErrMax= 4.55D-08 EMaxC= 1.00D-01 BMatC= 9.50D-13 BMatP= 2.80D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.263D-04 0.114D-04 0.120D-03-0.413D-04-0.153D-02-0.179D-02 Coeff-Com: -0.304D-02-0.678D-02-0.913D-02 0.514D-01 0.131D+00 0.464D+00 Coeff-Com: 0.376D+00 Coeff: 0.263D-04 0.114D-04 0.120D-03-0.413D-04-0.153D-02-0.179D-02 Coeff: -0.304D-02-0.678D-02-0.913D-02 0.514D-01 0.131D+00 0.464D+00 Coeff: 0.376D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=1.12D-08 MaxDP=2.67D-07 DE=-3.64D-12 OVMax= 4.61D-07 Cycle 14 Pass 1 IDiag 1: E= -1682.75054211282 Delta-E= -0.000000000011 Rises=F Damp=F DIIS: error= 1.54D-08 at cycle 14 NSaved= 14. NSaved=14 IEnMin=14 EnMin= -1682.75054211282 IErMin=14 ErrMin= 1.54D-08 ErrMax= 1.54D-08 EMaxC= 1.00D-01 BMatC= 1.15D-13 BMatP= 9.50D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.113D-04 0.966D-06 0.386D-04 0.582D-04-0.241D-03-0.358D-03 Coeff-Com: -0.122D-02-0.321D-02-0.728D-02 0.145D-03 0.207D-01 0.135D+00 Coeff-Com: 0.245D+00 0.612D+00 Coeff: 0.113D-04 0.966D-06 0.386D-04 0.582D-04-0.241D-03-0.358D-03 Coeff: -0.122D-02-0.321D-02-0.728D-02 0.145D-03 0.207D-01 0.135D+00 Coeff: 0.245D+00 0.612D+00 Gap= 0.098 Goal= None Shift= 0.000 RMSDP=5.23D-09 MaxDP=7.72D-08 DE=-1.14D-11 OVMax= 1.45D-07 SCF Done: E(RB+HF-LYP) = -1682.75054211 A.U. after 14 cycles Convg = 0.5231D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132191578459D+03 PE=-8.338539482831D+03 EE= 3.409328809856D+03 Leave Link 502 at Fri Apr 11 14:43:14 2008, MaxMem= 1258291200 cpu: 136.0 (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 0.11932922D+02 **** Warning!!: The smallest alpha delta epsilon is 0.97702403D-01 Leave Link 801 at Fri Apr 11 14:43:15 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 14:43:21 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 14:43:22 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 14:44:31 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. 1 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 1.21D-15 Conv= 1.00D-12. Inverted reduced A of dimension 52 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.283138D+03 2 -0.228172D+02 0.315062D+03 3 0.301980D+01 -0.442140D+01 0.271156D+03 Isotropic polarizability for W= 0.000000 289.79 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:45:43 2008, MaxMem= 1258291200 cpu: 248.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27552 -10.35690 -4.34560 -4.30145 -4.30123 Alpha occ. eigenvalues -- -4.30104 -4.28560 -4.28523 -4.28511 -4.27301 Alpha occ. eigenvalues -- -2.85647 -2.84943 -2.84940 -2.80991 -2.80939 Alpha occ. eigenvalues -- -2.80932 -2.80840 -2.80819 -2.80807 -2.80775 Alpha occ. eigenvalues -- -2.80745 -2.80731 -2.79479 -2.79442 -2.79430 Alpha occ. eigenvalues -- -2.79198 -2.79190 -2.79164 -2.79157 -2.79152 Alpha occ. eigenvalues -- -2.79144 -2.78240 -2.77906 -2.77905 -1.19328 Alpha occ. eigenvalues -- -0.59275 -0.48912 -0.48910 -0.47847 -0.35988 Alpha occ. eigenvalues -- -0.33853 -0.33842 -0.32676 -0.32659 -0.32624 Alpha occ. eigenvalues -- -0.32282 -0.31062 -0.30899 -0.30888 -0.30031 Alpha occ. eigenvalues -- -0.30025 -0.29502 -0.29198 -0.28723 -0.28715 Alpha occ. eigenvalues -- -0.28604 -0.28595 -0.27568 -0.27559 -0.26884 Alpha occ. eigenvalues -- -0.26681 -0.26665 -0.26541 -0.26404 -0.26385 Alpha occ. eigenvalues -- -0.26268 -0.26008 -0.25991 -0.25921 -0.25907 Alpha occ. eigenvalues -- -0.25820 -0.25432 -0.25396 -0.25387 -0.24937 Alpha occ. eigenvalues -- -0.24933 -0.24872 -0.24788 -0.24406 -0.24405 Alpha occ. eigenvalues -- -0.20479 -0.20450 -0.18746 Alpha virt. eigenvalues -- -0.08976 -0.08957 -0.08103 -0.07277 -0.07239 Alpha virt. eigenvalues -- -0.04075 -0.03300 -0.03272 -0.00853 -0.00726 Alpha virt. eigenvalues -- -0.00633 0.01374 0.01997 0.02475 0.02686 Alpha virt. eigenvalues -- 0.02944 0.03721 0.03818 0.04018 0.04165 Alpha virt. eigenvalues -- 0.04258 0.05259 0.05433 0.06409 0.06824 Alpha virt. eigenvalues -- 0.06913 0.07102 0.07707 0.07742 0.08027 Alpha virt. eigenvalues -- 0.08364 0.08563 0.08591 0.10613 0.10664 Alpha virt. eigenvalues -- 0.10731 0.11019 0.11891 0.11963 0.15467 Alpha virt. eigenvalues -- 0.15598 0.19460 0.20758 0.22679 0.22739 Alpha virt. eigenvalues -- 0.24284 0.24795 0.24867 0.25898 0.28622 Alpha virt. eigenvalues -- 0.28821 0.30403 0.32069 0.32240 0.34386 Alpha virt. eigenvalues -- 0.39148 0.39349 0.52843 0.63813 0.65618 Alpha virt. eigenvalues -- 0.65646 0.67334 0.67352 0.67447 0.69610 Alpha virt. eigenvalues -- 0.70849 0.70924 0.74446 0.74720 0.78964 Alpha virt. eigenvalues -- 0.79398 0.79418 0.83167 0.85922 0.85950 Alpha virt. eigenvalues -- 0.86270 0.86749 0.86943 0.88130 0.88244 Alpha virt. eigenvalues -- 0.88905 0.93333 0.99542 1.05682 1.05699 Alpha virt. eigenvalues -- 1.05904 1.05912 1.08488 1.17072 1.17754 Alpha virt. eigenvalues -- 1.17824 1.22993 1.23173 1.28072 1.30864 Alpha virt. eigenvalues -- 1.30903 1.31635 1.31662 1.32066 1.32871 Alpha virt. eigenvalues -- 1.32942 1.35271 1.52173 1.63634 1.83870 Alpha virt. eigenvalues -- 1.84067 2.01997 2.30204 2.30958 3.67414 Alpha virt. eigenvalues -- 11.93678 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.320238 -0.102834 -0.017893 -0.087244 -0.103632 -0.230879 2 Cu -0.102834 19.120915 -0.105771 0.078620 0.088246 -0.030649 3 Cu -0.017893 -0.105771 19.337722 -0.089064 0.036639 -0.232775 4 Cu -0.087244 0.078620 -0.089064 19.043868 0.079973 0.111678 5 Cu -0.103632 0.088246 0.036639 0.079973 19.131541 -0.032974 6 Cu -0.230879 -0.030649 -0.232775 0.111678 -0.032974 19.353914 7 Cu 0.038146 0.088714 -0.104836 0.080760 0.090389 -0.035080 8 Cu -0.018527 0.039139 -0.018080 -0.090661 -0.106159 -0.228774 9 C 0.012250 0.011791 0.012253 -0.003541 0.013378 0.149252 10 O -0.001197 -0.007947 -0.001165 0.000025 -0.009020 0.042788 7 8 9 10 1 Cu 0.038146 -0.018527 0.012250 -0.001197 2 Cu 0.088714 0.039139 0.011791 -0.007947 3 Cu -0.104836 -0.018080 0.012253 -0.001165 4 Cu 0.080760 -0.090661 -0.003541 0.000025 5 Cu 0.090389 -0.106159 0.013378 -0.009020 6 Cu -0.035080 -0.228774 0.149252 0.042788 7 Cu 19.145824 -0.104376 0.013315 -0.009088 8 Cu -0.104376 19.341087 0.011055 -0.001803 9 C 0.013315 0.011055 5.096030 0.554215 10 O -0.009088 -0.001803 0.554215 7.551544 Mulliken atomic charges: 1 1 Cu 0.191571 2 Cu -0.180225 3 Cu 0.182971 4 Cu -0.124414 5 Cu -0.188382 6 Cu 0.133498 7 Cu -0.203768 8 Cu 0.177099 9 C 0.130002 10 O -0.118352 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.191571 2 Cu -0.180225 3 Cu 0.182971 4 Cu -0.124414 5 Cu -0.188382 6 Cu 0.133498 7 Cu -0.203768 8 Cu 0.177099 9 C 0.130002 10 O -0.118352 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.097937 2 Cu -0.059777 3 Cu 0.093680 4 Cu -0.096500 5 Cu -0.069357 6 Cu -0.073108 7 Cu -0.087263 8 Cu 0.092208 9 C 0.994475 10 O -0.892295 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.097937 2 Cu -0.059777 3 Cu 0.093680 4 Cu -0.096500 5 Cu -0.069357 6 Cu -0.073108 7 Cu -0.087263 8 Cu 0.092208 9 C 0.994475 10 O -0.892295 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3721.8744 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.1424 Y= 1.0732 Z= 0.0113 Tot= 1.0826 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.5725 YY= -118.7616 ZZ= -111.9235 XY= 2.7891 XZ= -0.5002 YZ= 0.8316 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.1800 YY= -4.0091 ZZ= 2.8290 XY= 2.7891 XZ= -0.5002 YZ= 0.8316 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 14.1351 YYY= 221.1411 ZZZ= -87.0447 XYY= -19.5948 XXY= 67.5314 XXZ= -40.7582 XZZ= 8.2581 YZZ= 58.4706 YYZ= -40.7400 XYZ= 0.1602 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1302.1857 YYYY= -2302.7265 ZZZZ= -1086.4321 XXXY= 241.8109 XXXZ= -42.6632 YYYX= 310.6364 YYYZ= 140.4149 ZZZX= -11.2373 ZZZY= 81.2035 XXYY= -598.6041 XXZZ= -403.9135 YYZZ= -553.3121 XXYZ= 46.2419 YYXZ= -9.5850 ZZXY= 74.6674 N-N= 2.114268552403D+03 E-N=-8.338539502262D+03 KE= 1.132191578459D+03 Exact polarizability: 283.138 -22.817 315.062 3.020 -4.421 271.156 Approx polarizability: 629.963 -46.352 694.181 5.988 -9.114 606.071 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:45:44 2008, MaxMem= 1258291200 cpu: 1.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 5.60320965D-02 4.22217027D-01 4.46194884D-03 Polarizability= 2.83138495D+02-2.28172417D+01 3.15061573D+02 3.01979833D+00-4.42139659D+00 2.71156247D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 -0.000110125 0.000171111 -0.000143792 2 29 0.000064360 -0.000230017 0.000023467 3 29 -0.000041584 0.000269086 0.000119142 4 29 -0.000102320 -0.000084097 -0.000021830 5 29 0.000054711 -0.000258190 -0.000050307 6 29 0.000352809 -0.000479400 0.000261834 7 29 0.000103771 -0.000139569 0.000061480 8 29 -0.000042969 0.000254774 -0.000097694 9 6 -0.002093756 0.004157186 -0.000626891 10 8 0.001815101 -0.003660885 0.000474591 ------------------------------------------------------------------- Cartesian Forces: Max 0.004157186 RMS 0.001151988 Leave Link 716 at Fri Apr 11 14:45:44 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 14:45:44 2008, MaxMem= 1258291200 cpu: 0.2 (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 2113.9730783275 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 14:45:45 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 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 14:45:47 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 2114.1438419555 hartrees. Leave Link 303 at Fri Apr 11 14:45:48 2008, MaxMem= 1258291200 cpu: 0.1 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l401.exe) Initial guess read from the read-write file: Guess basis will be translated and rotated to current coordinates. Leave Link 401 at Fri Apr 11 14:45:48 2008, MaxMem= 1258291200 cpu: 0.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l502.exe) Closed shell SCF: Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. 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= -1682.75028268882 DIIS: error= 1.15D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.75028268882 IErMin= 1 ErrMin= 1.15D-03 ErrMax= 1.15D-03 EMaxC= 1.00D-01 BMatC= 9.45D-05 BMatP= 9.45D-05 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.15D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.100 Goal= None Shift= 0.000 GapD= 0.100 DampG=0.500 DampE=1.000 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=4.19D-04 MaxDP=9.67D-03 OVMax= 4.30D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.75038474598 Delta-E= -0.000102057159 Rises=F Damp=T DIIS: error= 3.68D-04 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1682.75038474598 IErMin= 2 ErrMin= 3.68D-04 ErrMax= 3.68D-04 EMaxC= 1.00D-01 BMatC= 6.26D-05 BMatP= 9.45D-05 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.68D-03 Coeff-Com: 0.430D+00 0.570D+00 Coeff-En: 0.384D+00 0.616D+00 Coeff: 0.430D+00 0.570D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=2.15D-04 MaxDP=4.40D-03 DE=-1.02D-04 OVMax= 1.75D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.75070889171 Delta-E= -0.000324145732 Rises=F Damp=F DIIS: error= 3.80D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.75070889171 IErMin= 2 ErrMin= 3.68D-04 ErrMax= 3.80D-04 EMaxC= 1.00D-01 BMatC= 5.89D-05 BMatP= 6.26D-05 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.80D-03 Coeff-Com: 0.267D+00 0.381D+00 0.353D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.266D+00 0.379D+00 0.355D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=5.94D-05 MaxDP=1.28D-03 DE=-3.24D-04 OVMax= 3.01D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.75076601820 Delta-E= -0.000057126492 Rises=F Damp=F DIIS: error= 4.52D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.75076601820 IErMin= 4 ErrMin= 4.52D-05 ErrMax= 4.52D-05 EMaxC= 1.00D-01 BMatC= 1.16D-06 BMatP= 5.89D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.812D-01 0.652D-01 0.834D-01 0.770D+00 Coeff: 0.812D-01 0.652D-01 0.834D-01 0.770D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=2.71D-05 MaxDP=8.82D-04 DE=-5.71D-05 OVMax= 7.20D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.75076722596 Delta-E= -0.000001207753 Rises=F Damp=F DIIS: error= 5.81D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.75076722596 IErMin= 4 ErrMin= 4.52D-05 ErrMax= 5.81D-05 EMaxC= 1.00D-01 BMatC= 1.31D-06 BMatP= 1.16D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.243D-01-0.326D-02-0.335D-02 0.528D+00 0.455D+00 Coeff: 0.243D-01-0.326D-02-0.335D-02 0.528D+00 0.455D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=1.22D-05 MaxDP=2.49D-04 DE=-1.21D-06 OVMax= 2.06D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.75076787953 Delta-E= -0.000000653572 Rises=F Damp=F DIIS: error= 2.64D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.75076787953 IErMin= 6 ErrMin= 2.64D-05 ErrMax= 2.64D-05 EMaxC= 1.00D-01 BMatC= 3.04D-07 BMatP= 1.16D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.452D-03-0.119D-01-0.264D-01 0.116D+00 0.360D+00 0.563D+00 Coeff: -0.452D-03-0.119D-01-0.264D-01 0.116D+00 0.360D+00 0.563D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=5.36D-06 MaxDP=9.88D-05 DE=-6.54D-07 OVMax= 1.92D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.75076811774 Delta-E= -0.000000238211 Rises=F Damp=F DIIS: error= 8.39D-06 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.75076811774 IErMin= 7 ErrMin= 8.39D-06 ErrMax= 8.39D-06 EMaxC= 1.00D-01 BMatC= 3.07D-08 BMatP= 3.04D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.828D-03-0.874D-02-0.194D-01 0.675D-01 0.258D+00 0.435D+00 Coeff-Com: 0.268D+00 Coeff: -0.828D-03-0.874D-02-0.194D-01 0.675D-01 0.258D+00 0.435D+00 Coeff: 0.268D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=1.14D-06 MaxDP=2.81D-05 DE=-2.38D-07 OVMax= 3.39D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.75076813995 Delta-E= -0.000000022210 Rises=F Damp=F DIIS: error= 1.64D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.75076813995 IErMin= 8 ErrMin= 1.64D-06 ErrMax= 1.64D-06 EMaxC= 1.00D-01 BMatC= 1.51D-09 BMatP= 3.07D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.196D-03-0.154D-02-0.151D-02-0.357D-02 0.228D-01 0.679D-01 Coeff-Com: 0.173D+00 0.743D+00 Coeff: -0.196D-03-0.154D-02-0.151D-02-0.357D-02 0.228D-01 0.679D-01 Coeff: 0.173D+00 0.743D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=5.86D-07 MaxDP=1.73D-05 DE=-2.22D-08 OVMax= 1.73D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.75076814168 Delta-E= -0.000000001730 Rises=F Damp=F DIIS: error= 4.40D-07 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.75076814168 IErMin= 9 ErrMin= 4.40D-07 ErrMax= 4.40D-07 EMaxC= 1.00D-01 BMatC= 1.50D-10 BMatP= 1.51D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.241D-04-0.853D-04 0.729D-03-0.747D-02-0.754D-02-0.461D-02 Coeff-Com: 0.668D-01 0.346D+00 0.606D+00 Coeff: -0.241D-04-0.853D-04 0.729D-03-0.747D-02-0.754D-02-0.461D-02 Coeff: 0.668D-01 0.346D+00 0.606D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=1.89D-07 MaxDP=4.26D-06 DE=-1.73D-09 OVMax= 6.75D-06 Cycle 10 Pass 1 IDiag 1: E= -1682.75076814184 Delta-E= -0.000000000160 Rises=F Damp=F DIIS: error= 4.15D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.75076814184 IErMin=10 ErrMin= 4.15D-07 ErrMax= 4.15D-07 EMaxC= 1.00D-01 BMatC= 5.59D-11 BMatP= 1.50D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.140D-04 0.189D-03 0.707D-03-0.480D-02-0.846D-02-0.144D-01 Coeff-Com: 0.200D-01 0.136D+00 0.423D+00 0.448D+00 Coeff: 0.140D-04 0.189D-03 0.707D-03-0.480D-02-0.846D-02-0.144D-01 Coeff: 0.200D-01 0.136D+00 0.423D+00 0.448D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=7.99D-08 MaxDP=1.39D-06 DE=-1.60D-10 OVMax= 1.99D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.75076814188 Delta-E= -0.000000000046 Rises=F Damp=F DIIS: error= 1.44D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.75076814188 IErMin=11 ErrMin= 1.44D-07 ErrMax= 1.44D-07 EMaxC= 1.00D-01 BMatC= 8.06D-12 BMatP= 5.59D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.126D-04 0.143D-03 0.293D-03-0.176D-02-0.399D-02-0.829D-02 Coeff-Com: 0.563D-03 0.315D-01 0.162D+00 0.310D+00 0.510D+00 Coeff: 0.126D-04 0.143D-03 0.293D-03-0.176D-02-0.399D-02-0.829D-02 Coeff: 0.563D-03 0.315D-01 0.162D+00 0.310D+00 0.510D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=3.59D-08 MaxDP=6.43D-07 DE=-4.64D-11 OVMax= 1.67D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.75076814189 Delta-E= -0.000000000001 Rises=F Damp=F DIIS: error= 6.23D-08 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.75076814189 IErMin=12 ErrMin= 6.23D-08 ErrMax= 6.23D-08 EMaxC= 1.00D-01 BMatC= 8.54D-13 BMatP= 8.06D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.372D-05 0.476D-04 0.330D-04-0.152D-03-0.852D-03-0.211D-02 Coeff-Com: -0.264D-02-0.549D-02 0.237D-01 0.873D-01 0.298D+00 0.602D+00 Coeff: 0.372D-05 0.476D-04 0.330D-04-0.152D-03-0.852D-03-0.211D-02 Coeff: -0.264D-02-0.549D-02 0.237D-01 0.873D-01 0.298D+00 0.602D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=1.56D-08 MaxDP=2.67D-07 DE=-9.09D-13 OVMax= 8.49D-07 Cycle 13 Pass 1 IDiag 1: E= -1682.75076814189 Delta-E= -0.000000000005 Rises=F Damp=F DIIS: error= 3.25D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=13 EnMin= -1682.75076814189 IErMin=13 ErrMin= 3.25D-08 ErrMax= 3.25D-08 EMaxC= 1.00D-01 BMatC= 3.46D-13 BMatP= 8.54D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.162D-05 0.130D-04-0.196D-04 0.165D-03-0.317D-04-0.231D-03 Coeff-Com: -0.170D-02-0.913D-02-0.111D-01 0.139D-01 0.136D+00 0.455D+00 Coeff-Com: 0.417D+00 Coeff: 0.162D-05 0.130D-04-0.196D-04 0.165D-03-0.317D-04-0.231D-03 Coeff: -0.170D-02-0.913D-02-0.111D-01 0.139D-01 0.136D+00 0.455D+00 Coeff: 0.417D+00 Gap= 0.100 Goal= None Shift= 0.000 RMSDP=6.13D-09 MaxDP=1.58D-07 DE=-4.55D-12 OVMax= 1.72D-07 SCF Done: E(RB+HF-LYP) = -1682.75076814 A.U. after 13 cycles Convg = 0.6125D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132181264378D+03 PE=-8.338382445629D+03 EE= 3.409306571154D+03 Leave Link 502 at Fri Apr 11 14:46:27 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 0.11934208D+02 Leave Link 801 at Fri Apr 11 14:46:27 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 14:46:33 2008, MaxMem= 1258291200 cpu: 21.5 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 10. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Fri Apr 11 14:46:34 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 14:47:44 2008, MaxMem= 1258291200 cpu: 268.2 (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. 1 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 8.95D-16 Conv= 1.00D-12. Inverted reduced A of dimension 52 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.282806D+03 2 -0.249024D+02 0.317128D+03 3 0.282598D+01 -0.464454D+01 0.273423D+03 Isotropic polarizability for W= 0.000000 291.12 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:48:58 2008, MaxMem= 1258291200 cpu: 265.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -19.27250 -10.35372 -4.34420 -4.30143 -4.30123 Alpha occ. eigenvalues -- -4.30077 -4.28534 -4.28462 -4.28449 -4.27355 Alpha occ. eigenvalues -- -2.85499 -2.84810 -2.84807 -2.80985 -2.80929 Alpha occ. eigenvalues -- -2.80917 -2.80830 -2.80804 -2.80787 -2.80771 Alpha occ. eigenvalues -- -2.80746 -2.80713 -2.79453 -2.79379 -2.79368 Alpha occ. eigenvalues -- -2.79170 -2.79164 -2.79106 -2.79098 -2.79093 Alpha occ. eigenvalues -- -2.79086 -2.78294 -2.77958 -2.77956 -1.18953 Alpha occ. eigenvalues -- -0.58834 -0.48494 -0.48489 -0.47552 -0.35963 Alpha occ. eigenvalues -- -0.33762 -0.33750 -0.32565 -0.32557 -0.32542 Alpha occ. eigenvalues -- -0.32247 -0.31036 -0.30871 -0.30849 -0.30009 Alpha occ. eigenvalues -- -0.29999 -0.29472 -0.29166 -0.28694 -0.28683 Alpha occ. eigenvalues -- -0.28587 -0.28585 -0.27540 -0.27526 -0.26849 Alpha occ. eigenvalues -- -0.26645 -0.26616 -0.26497 -0.26376 -0.26344 Alpha occ. eigenvalues -- -0.26234 -0.25974 -0.25945 -0.25893 -0.25868 Alpha occ. eigenvalues -- -0.25793 -0.25387 -0.25374 -0.25348 -0.24957 Alpha occ. eigenvalues -- -0.24949 -0.24917 -0.24752 -0.24439 -0.24435 Alpha occ. eigenvalues -- -0.20445 -0.20377 -0.18795 Alpha virt. eigenvalues -- -0.08758 -0.08732 -0.08072 -0.07220 -0.07153 Alpha virt. eigenvalues -- -0.04329 -0.03239 -0.03189 -0.00983 -0.00611 Alpha virt. eigenvalues -- -0.00542 0.01684 0.02009 0.02319 0.02822 Alpha virt. eigenvalues -- 0.02996 0.03698 0.03973 0.04040 0.04174 Alpha virt. eigenvalues -- 0.04534 0.04900 0.05088 0.05989 0.06752 Alpha virt. eigenvalues -- 0.06965 0.07124 0.07742 0.07953 0.08375 Alpha virt. eigenvalues -- 0.08429 0.08540 0.08542 0.10443 0.10510 Alpha virt. eigenvalues -- 0.10651 0.10827 0.11864 0.11915 0.15312 Alpha virt. eigenvalues -- 0.15584 0.19825 0.21242 0.22699 0.22743 Alpha virt. eigenvalues -- 0.24301 0.24790 0.24872 0.25754 0.28632 Alpha virt. eigenvalues -- 0.29013 0.30297 0.31912 0.32258 0.34546 Alpha virt. eigenvalues -- 0.39563 0.39739 0.53383 0.63967 0.65823 Alpha virt. eigenvalues -- 0.65856 0.67370 0.67385 0.67784 0.69699 Alpha virt. eigenvalues -- 0.70777 0.70952 0.74752 0.75002 0.79012 Alpha virt. eigenvalues -- 0.79518 0.79558 0.83365 0.85885 0.85910 Alpha virt. eigenvalues -- 0.86312 0.86811 0.87007 0.88163 0.88278 Alpha virt. eigenvalues -- 0.88945 0.93435 0.99623 1.05714 1.05744 Alpha virt. eigenvalues -- 1.05911 1.05915 1.08559 1.16980 1.17801 Alpha virt. eigenvalues -- 1.17917 1.23031 1.23217 1.28102 1.30920 Alpha virt. eigenvalues -- 1.30959 1.31577 1.31610 1.32077 1.32913 Alpha virt. eigenvalues -- 1.32974 1.35343 1.52151 1.64038 1.83884 Alpha virt. eigenvalues -- 1.84077 2.01896 2.30206 2.31076 3.67389 Alpha virt. eigenvalues -- 11.93908 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.355738 -0.109190 -0.018853 -0.092905 -0.108217 -0.230602 2 Cu -0.109190 19.108049 -0.103589 0.079727 0.088741 -0.027506 3 Cu -0.018853 -0.103589 19.316325 -0.089277 0.039157 -0.228642 4 Cu -0.092905 0.079727 -0.089277 19.068408 0.082656 0.114616 5 Cu -0.108217 0.088741 0.039157 0.082656 19.153491 -0.032487 6 Cu -0.230602 -0.027506 -0.228642 0.114616 -0.032487 19.344280 7 Cu 0.037687 0.086999 -0.103436 0.080738 0.090165 -0.030127 8 Cu -0.017780 0.039795 -0.019943 -0.094589 -0.108100 -0.227400 9 C 0.011736 0.012193 0.012155 -0.003724 0.014022 0.145223 10 O -0.001095 -0.007746 -0.000973 0.000037 -0.009057 0.042265 7 8 9 10 1 Cu 0.037687 -0.017780 0.011736 -0.001095 2 Cu 0.086999 0.039795 0.012193 -0.007746 3 Cu -0.103436 -0.019943 0.012155 -0.000973 4 Cu 0.080738 -0.094589 -0.003724 0.000037 5 Cu 0.090165 -0.108100 0.014022 -0.009057 6 Cu -0.030127 -0.227400 0.145223 0.042265 7 Cu 19.115466 -0.108735 0.013574 -0.008764 8 Cu -0.108735 19.358068 0.010767 -0.001676 9 C 0.013574 0.010767 5.094045 0.557463 10 O -0.008764 -0.001676 0.557463 7.535523 Mulliken atomic charges: 1 1 Cu 0.173480 2 Cu -0.167473 3 Cu 0.197076 4 Cu -0.145686 5 Cu -0.210371 6 Cu 0.130379 7 Cu -0.173567 8 Cu 0.169593 9 C 0.132545 10 O -0.105976 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.173480 2 Cu -0.167473 3 Cu 0.197076 4 Cu -0.145686 5 Cu -0.210371 6 Cu 0.130379 7 Cu -0.173567 8 Cu 0.169593 9 C 0.132545 10 O -0.105976 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.087632 2 Cu -0.046245 3 Cu 0.098034 4 Cu -0.122449 5 Cu -0.097888 6 Cu -0.073225 7 Cu -0.053165 8 Cu 0.086743 9 C 0.983477 10 O -0.862914 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.087632 2 Cu -0.046245 3 Cu 0.098034 4 Cu -0.122449 5 Cu -0.097888 6 Cu -0.073225 7 Cu -0.053165 8 Cu 0.086743 9 C 0.983477 10 O -0.862914 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3721.5062 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2431 Y= -0.4221 Z= -1.2736 Tot= 1.3635 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.1458 YY= -117.4153 ZZ= -113.2013 XY= 3.2405 XZ= -0.2774 YZ= 0.9737 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.4416 YY= -2.8278 ZZ= 1.3862 XY= 3.2405 XZ= -0.2774 YZ= 0.9737 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 15.1706 YYY= 202.6710 ZZZ= -99.8239 XYY= -17.4419 XXY= 61.5722 XXZ= -44.6773 XZZ= 8.0376 YZZ= 55.8604 YYZ= -43.9674 XYZ= -0.4896 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1297.7603 YYYY= -2272.1612 ZZZZ= -1114.7643 XXXY= 246.1931 XXXZ= -41.1044 YYYX= 312.0505 YYYZ= 139.3830 ZZZX= -12.0152 ZZZY= 84.2475 XXYY= -591.4781 XXZZ= -404.4089 YYZZ= -552.9940 XXYZ= 47.3016 YYXZ= -5.1880 ZZXY= 76.3110 N-N= 2.114143841955D+03 E-N=-8.338382431343D+03 KE= 1.132181264378D+03 Exact polarizability: 282.806 -24.902 317.128 2.826 -4.645 273.423 Approx polarizability: 628.775 -45.955 692.321 5.147 -8.529 610.574 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:48:59 2008, MaxMem= 1258291200 cpu: 1.6 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 9.56618400D-02-1.66063490D-01-5.01057926D-01 Polarizability= 2.82806323D+02-2.49024495D+01 3.17128387D+02 2.82598366D+00-4.64453595D+00 2.73422728D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000057846 0.000088791 -0.000204543 2 29 0.000084010 -0.000011117 0.000092225 3 29 0.000066958 -0.000097029 -0.000050540 4 29 -0.000017785 0.000044229 0.000288366 5 29 -0.000020606 -0.000004395 -0.000004228 6 29 0.000028951 -0.000021865 0.000032558 7 29 -0.000039925 -0.000017230 0.000114050 8 29 -0.000109312 -0.000036948 -0.000149413 9 6 -0.000302616 0.000360327 -0.000330552 10 8 0.000252481 -0.000304761 0.000212077 ------------------------------------------------------------------- Cartesian Forces: Max 0.000360327 RMS 0.000158775 Leave Link 716 at Fri Apr 11 14:49:00 2008, MaxMem= 1258291200 cpu: 0.5 (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 14:49:00 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 2113.9730783275 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 14:49:00 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 14:49:03 2008, MaxMem= 1258291200 cpu: 8.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l303.exe) DipDrv: MaxL=1. The nuclear repulsion energy is now 2113.8023146995 hartrees. Leave Link 303 at Fri Apr 11 14:49:03 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 14:49:04 2008, MaxMem= 1258291200 cpu: 1.2 (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= -1682.75033325259 DIIS: error= 1.15D-03 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1682.75033325259 IErMin= 1 ErrMin= 1.15D-03 ErrMax= 1.15D-03 EMaxC= 1.00D-01 BMatC= 9.45D-05 BMatP= 9.45D-05 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.15D-02 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.102 Goal= None Shift= 0.000 GapD= 0.102 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1. RMSDP=4.18D-04 MaxDP=1.01D-02 OVMax= 4.19D-02 Cycle 2 Pass 1 IDiag 1: E= -1682.74964376858 Delta-E= 0.000689484001 Rises=F Damp=F DIIS: error= 1.88D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -1682.75033325259 IErMin= 1 ErrMin= 1.15D-03 ErrMax= 1.88D-03 EMaxC= 1.00D-01 BMatC= 4.91D-04 BMatP= 9.45D-05 IDIUse=3 WtCom= 1.87D-01 WtEn= 8.13D-01 Coeff-Com: 0.717D+00 0.283D+00 Coeff-En: 0.694D+00 0.306D+00 Coeff: 0.698D+00 0.302D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=2.95D-04 MaxDP=5.98D-03 DE= 6.89D-04 OVMax= 1.87D-02 Cycle 3 Pass 1 IDiag 1: E= -1682.75076035772 Delta-E= -0.001116589140 Rises=F Damp=F DIIS: error= 4.33D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1682.75076035772 IErMin= 3 ErrMin= 4.33D-04 ErrMax= 4.33D-04 EMaxC= 1.00D-01 BMatC= 7.28D-05 BMatP= 9.45D-05 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.33D-03 Coeff-Com: 0.457D+00 0.209D+00 0.333D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.455D+00 0.209D+00 0.336D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=6.17D-05 MaxDP=1.36D-03 DE=-1.12D-03 OVMax= 1.90D-03 Cycle 4 Pass 1 IDiag 1: E= -1682.75081507878 Delta-E= -0.000054721053 Rises=F Damp=F DIIS: error= 4.59D-05 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1682.75081507878 IErMin= 4 ErrMin= 4.59D-05 ErrMax= 4.59D-05 EMaxC= 1.00D-01 BMatC= 1.28D-06 BMatP= 7.28D-05 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.117D+00 0.383D-01 0.876D-01 0.757D+00 Coeff: 0.117D+00 0.383D-01 0.876D-01 0.757D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=2.65D-05 MaxDP=9.01D-04 DE=-5.47D-05 OVMax= 7.22D-04 Cycle 5 Pass 1 IDiag 1: E= -1682.75081638956 Delta-E= -0.000001310786 Rises=F Damp=F DIIS: error= 5.82D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1682.75081638956 IErMin= 4 ErrMin= 4.59D-05 ErrMax= 5.82D-05 EMaxC= 1.00D-01 BMatC= 1.29D-06 BMatP= 1.28D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.228D-01-0.198D-02-0.621D-04 0.514D+00 0.465D+00 Coeff: 0.228D-01-0.198D-02-0.621D-04 0.514D+00 0.465D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=1.24D-05 MaxDP=2.58D-04 DE=-1.31D-06 OVMax= 2.15D-04 Cycle 6 Pass 1 IDiag 1: E= -1682.75081702252 Delta-E= -0.000000632960 Rises=F Damp=F DIIS: error= 2.79D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1682.75081702252 IErMin= 6 ErrMin= 2.79D-05 ErrMax= 2.79D-05 EMaxC= 1.00D-01 BMatC= 3.10D-07 BMatP= 1.28D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.638D-02-0.722D-02-0.255D-01 0.101D+00 0.368D+00 0.570D+00 Coeff: -0.638D-02-0.722D-02-0.255D-01 0.101D+00 0.368D+00 0.570D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=5.60D-06 MaxDP=1.03D-04 DE=-6.33D-07 OVMax= 1.95D-04 Cycle 7 Pass 1 IDiag 1: E= -1682.75081728080 Delta-E= -0.000000258279 Rises=F Damp=F DIIS: error= 5.79D-06 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1682.75081728080 IErMin= 7 ErrMin= 5.79D-06 ErrMax= 5.79D-06 EMaxC= 1.00D-01 BMatC= 1.22D-08 BMatP= 3.10D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.473D-02-0.494D-02-0.168D-01 0.561D-01 0.238D+00 0.390D+00 Coeff-Com: 0.343D+00 Coeff: -0.473D-02-0.494D-02-0.168D-01 0.561D-01 0.238D+00 0.390D+00 Coeff: 0.343D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=1.01D-06 MaxDP=2.17D-05 DE=-2.58D-07 OVMax= 3.21D-05 Cycle 8 Pass 1 IDiag 1: E= -1682.75081728905 Delta-E= -0.000000008248 Rises=F Damp=F DIIS: error= 2.79D-06 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1682.75081728905 IErMin= 8 ErrMin= 2.79D-06 ErrMax= 2.79D-06 EMaxC= 1.00D-01 BMatC= 3.66D-09 BMatP= 1.22D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.123D-02-0.119D-02-0.280D-02 0.228D-02 0.423D-01 0.923D-01 Coeff-Com: 0.332D+00 0.536D+00 Coeff: -0.123D-02-0.119D-02-0.280D-02 0.228D-02 0.423D-01 0.923D-01 Coeff: 0.332D+00 0.536D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=5.41D-07 MaxDP=1.11D-05 DE=-8.25D-09 OVMax= 1.95D-05 Cycle 9 Pass 1 IDiag 1: E= -1682.75081729176 Delta-E= -0.000000002712 Rises=F Damp=F DIIS: error= 9.77D-07 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1682.75081729176 IErMin= 9 ErrMin= 9.77D-07 ErrMax= 9.77D-07 EMaxC= 1.00D-01 BMatC= 3.37D-10 BMatP= 3.66D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.185D-03-0.117D-03 0.490D-03-0.700D-02-0.540D-02 0.266D-02 Coeff-Com: 0.166D+00 0.338D+00 0.505D+00 Coeff: -0.185D-03-0.117D-03 0.490D-03-0.700D-02-0.540D-02 0.266D-02 Coeff: 0.166D+00 0.338D+00 0.505D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=2.13D-07 MaxDP=3.89D-06 DE=-2.71D-09 OVMax= 1.42D-05 Cycle 10 Pass 1 IDiag 1: E= -1682.75081729224 Delta-E= -0.000000000480 Rises=F Damp=F DIIS: error= 2.67D-07 at cycle 10 NSaved= 10. NSaved=10 IEnMin=10 EnMin= -1682.75081729224 IErMin=10 ErrMin= 2.67D-07 ErrMax= 2.67D-07 EMaxC= 1.00D-01 BMatC= 3.22D-11 BMatP= 3.37D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.104D-03 0.125D-03 0.621D-03-0.408D-02-0.841D-02-0.142D-01 Coeff-Com: 0.341D-01 0.103D+00 0.249D+00 0.639D+00 Coeff: 0.104D-03 0.125D-03 0.621D-03-0.408D-02-0.841D-02-0.142D-01 Coeff: 0.341D-01 0.103D+00 0.249D+00 0.639D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=9.38D-08 MaxDP=2.21D-06 DE=-4.80D-10 OVMax= 3.32D-06 Cycle 11 Pass 1 IDiag 1: E= -1682.75081729228 Delta-E= -0.000000000038 Rises=F Damp=F DIIS: error= 2.17D-07 at cycle 11 NSaved= 11. NSaved=11 IEnMin=11 EnMin= -1682.75081729228 IErMin=11 ErrMin= 2.17D-07 ErrMax= 2.17D-07 EMaxC= 1.00D-01 BMatC= 1.35D-11 BMatP= 3.22D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.949D-04 0.102D-03 0.384D-03-0.228D-02-0.550D-02-0.106D-01 Coeff-Com: 0.889D-02 0.443D-01 0.131D+00 0.477D+00 0.356D+00 Coeff: 0.949D-04 0.102D-03 0.384D-03-0.228D-02-0.550D-02-0.106D-01 Coeff: 0.889D-02 0.443D-01 0.131D+00 0.477D+00 0.356D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=2.99D-08 MaxDP=7.00D-07 DE=-3.77D-11 OVMax= 1.01D-06 Cycle 12 Pass 1 IDiag 1: E= -1682.75081729229 Delta-E= -0.000000000011 Rises=F Damp=F DIIS: error= 4.85D-08 at cycle 12 NSaved= 12. NSaved=12 IEnMin=12 EnMin= -1682.75081729229 IErMin=12 ErrMin= 4.85D-08 ErrMax= 4.85D-08 EMaxC= 1.00D-01 BMatC= 6.97D-13 BMatP= 1.35D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.285D-04 0.259D-04 0.322D-04-0.134D-03-0.824D-03-0.202D-02 Coeff-Com: -0.430D-02-0.436D-02 0.492D-02 0.985D-01 0.192D+00 0.716D+00 Coeff: 0.285D-04 0.259D-04 0.322D-04-0.134D-03-0.824D-03-0.202D-02 Coeff: -0.430D-02-0.436D-02 0.492D-02 0.985D-01 0.192D+00 0.716D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=1.09D-08 MaxDP=1.89D-07 DE=-1.09D-11 OVMax= 4.88D-07 Cycle 13 Pass 1 IDiag 1: E= -1682.75081729229 Delta-E= 0.000000000003 Rises=F Damp=F DIIS: error= 2.58D-08 at cycle 13 NSaved= 13. NSaved=13 IEnMin=12 EnMin= -1682.75081729229 IErMin=13 ErrMin= 2.58D-08 ErrMax= 2.58D-08 EMaxC= 1.00D-01 BMatC= 1.82D-13 BMatP= 6.97D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.959D-05 0.723D-05-0.131D-04 0.116D-03-0.592D-04-0.319D-03 Coeff-Com: -0.338D-02-0.675D-02-0.814D-02 0.151D-01 0.926D-01 0.455D+00 Coeff-Com: 0.455D+00 Coeff: 0.959D-05 0.723D-05-0.131D-04 0.116D-03-0.592D-04-0.319D-03 Coeff: -0.338D-02-0.675D-02-0.814D-02 0.151D-01 0.926D-01 0.455D+00 Coeff: 0.455D+00 Gap= 0.101 Goal= None Shift= 0.000 RMSDP=4.32D-09 MaxDP=8.99D-08 DE= 3.18D-12 OVMax= 1.25D-07 SCF Done: E(RB+HF-LYP) = -1682.75081729 A.U. after 13 cycles Convg = 0.4319D-08 -V/T = 2.4863 S**2 = 0.0000 KE= 1.132178925254D+03 PE=-8.338034426130D+03 EE= 3.409302368884D+03 Leave Link 502 at Fri Apr 11 14:49:45 2008, MaxMem= 1258291200 cpu: 134.8 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l801.exe) Range of M.O.s used for correlation: 1 194 NBasis= 194 NAE= 83 NBE= 83 NFC= 0 NFV= 0 NROrb= 194 NOA= 83 NOB= 83 NVA= 111 NVB= 111 **** Warning!!: The largest alpha MO coefficient is 0.11934379D+02 Leave Link 801 at Fri Apr 11 14:49:46 2008, MaxMem= 1258291200 cpu: 0.0 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1101.exe) Using compressed storage, NAtomX= 10. Will process 11 centers per pass. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 2775 NPrTT= 15425 LenC2= 2742 LenP2D= 11498. LDataN: DoStor=F MaxTD1= 5 Len= 102 LDataN: DoStor=T MaxTD1= 5 Len= 102 Leave Link 1101 at Fri Apr 11 14:49:52 2008, MaxMem= 1258291200 cpu: 21.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l1102.exe) Use density number 0. DDipDN: doing centers 0 through 10. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Leave Link 1102 at Fri Apr 11 14:49:53 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 14:51:03 2008, MaxMem= 1258291200 cpu: 268.2 (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. 1 vectors were produced by pass 17. Inv2: IOpt= 1 Iter= 1 AM= 9.40D-16 Conv= 1.00D-12. Inverted reduced A of dimension 52 with in-core refinement. FullF1: Do perturbations 1 to 3. SCF Polarizability for W= 0.000000: 1 2 3 1 0.285014D+03 2 -0.241747D+02 0.318249D+03 3 0.245025D+01 -0.545816D+01 0.270985D+03 Isotropic polarizability for W= 0.000000 291.42 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. Leave Link 1002 at Fri Apr 11 14:52:16 2008, MaxMem= 1258291200 cpu: 258.2 (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 -- -19.26985 -10.35102 -4.34200 -4.29969 -4.29911 Alpha occ. eigenvalues -- -4.29890 -4.28314 -4.28308 -4.28225 -4.27178 Alpha occ. eigenvalues -- -2.85277 -2.84592 -2.84588 -2.80798 -2.80747 Alpha occ. eigenvalues -- -2.80717 -2.80630 -2.80620 -2.80594 -2.80590 Alpha occ. eigenvalues -- -2.80544 -2.80523 -2.79234 -2.79226 -2.79142 Alpha occ. eigenvalues -- -2.78953 -2.78948 -2.78945 -2.78941 -2.78872 Alpha occ. eigenvalues -- -2.78866 -2.78117 -2.77778 -2.77778 -1.18671 Alpha occ. eigenvalues -- -0.58535 -0.48198 -0.48196 -0.47294 -0.35768 Alpha occ. eigenvalues -- -0.33563 -0.33532 -0.32355 -0.32347 -0.32332 Alpha occ. eigenvalues -- -0.32048 -0.30841 -0.30675 -0.30653 -0.29818 Alpha occ. eigenvalues -- -0.29802 -0.29277 -0.28970 -0.28505 -0.28481 Alpha occ. eigenvalues -- -0.28402 -0.28386 -0.27347 -0.27328 -0.26653 Alpha occ. eigenvalues -- -0.26444 -0.26422 -0.26298 -0.26184 -0.26144 Alpha occ. eigenvalues -- -0.26039 -0.25783 -0.25743 -0.25699 -0.25670 Alpha occ. eigenvalues -- -0.25598 -0.25198 -0.25174 -0.25147 -0.24772 Alpha occ. eigenvalues -- -0.24762 -0.24737 -0.24556 -0.24256 -0.24252 Alpha occ. eigenvalues -- -0.20241 -0.20181 -0.18616 Alpha virt. eigenvalues -- -0.08514 -0.08495 -0.07866 -0.07039 -0.06929 Alpha virt. eigenvalues -- -0.04203 -0.03049 -0.02966 -0.00662 -0.00468 Alpha virt. eigenvalues -- -0.00430 0.01988 0.02257 0.02651 0.02765 Alpha virt. eigenvalues -- 0.03196 0.03953 0.04195 0.04280 0.04318 Alpha virt. eigenvalues -- 0.04631 0.05062 0.05209 0.06099 0.06918 Alpha virt. eigenvalues -- 0.07105 0.07372 0.07942 0.08113 0.08572 Alpha virt. eigenvalues -- 0.08633 0.08726 0.08859 0.10568 0.10612 Alpha virt. eigenvalues -- 0.10795 0.11037 0.12009 0.12153 0.15488 Alpha virt. eigenvalues -- 0.15750 0.20072 0.21556 0.22882 0.22943 Alpha virt. eigenvalues -- 0.24493 0.24982 0.25054 0.25918 0.28886 Alpha virt. eigenvalues -- 0.29178 0.30457 0.32083 0.32434 0.34758 Alpha virt. eigenvalues -- 0.39786 0.40088 0.53707 0.64184 0.66069 Alpha virt. eigenvalues -- 0.66093 0.67560 0.67581 0.68056 0.69920 Alpha virt. eigenvalues -- 0.71022 0.71077 0.74993 0.75277 0.79210 Alpha virt. eigenvalues -- 0.79732 0.79787 0.83603 0.86070 0.86092 Alpha virt. eigenvalues -- 0.86508 0.87012 0.87205 0.88348 0.88484 Alpha virt. eigenvalues -- 0.89146 0.93651 0.99826 1.05916 1.05945 Alpha virt. eigenvalues -- 1.06095 1.06102 1.08761 1.17151 1.17985 Alpha virt. eigenvalues -- 1.18139 1.23241 1.23405 1.28297 1.31124 Alpha virt. eigenvalues -- 1.31156 1.31748 1.31796 1.32267 1.33088 Alpha virt. eigenvalues -- 1.33183 1.35551 1.52333 1.64325 1.84082 Alpha virt. eigenvalues -- 1.84261 2.02064 2.30575 2.31110 3.67582 Alpha virt. eigenvalues -- 11.94148 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Cu 19.333347 -0.104275 -0.017922 -0.091328 -0.107993 -0.228288 2 Cu -0.104275 19.136019 -0.110964 0.081380 0.087803 -0.029340 3 Cu -0.017922 -0.110964 19.376409 -0.095515 0.037162 -0.232563 4 Cu -0.091328 0.081380 -0.095515 19.073756 0.080548 0.115349 5 Cu -0.107993 0.087803 0.037162 0.080548 19.100678 -0.027771 6 Cu -0.228288 -0.029340 -0.232563 0.115349 -0.027771 19.342376 7 Cu 0.038799 0.088928 -0.111219 0.082032 0.088821 -0.031050 8 Cu -0.019689 0.041264 -0.019196 -0.092169 -0.106632 -0.224485 9 C 0.011833 0.012422 0.011716 -0.003776 0.013776 0.144455 10 O -0.001019 -0.007922 -0.001035 0.000040 -0.008673 0.042111 7 8 9 10 1 Cu 0.038799 -0.019689 0.011833 -0.001019 2 Cu 0.088928 0.041264 0.012422 -0.007922 3 Cu -0.111219 -0.019196 0.011716 -0.001035 4 Cu 0.082032 -0.092169 -0.003776 0.000040 5 Cu 0.088821 -0.106632 0.013776 -0.008673 6 Cu -0.031050 -0.224485 0.144455 0.042111 7 Cu 19.135597 -0.103189 0.013732 -0.008856 8 Cu -0.103189 19.326730 0.010940 -0.001580 9 C 0.013732 0.010940 5.093823 0.558198 10 O -0.008856 -0.001580 0.558198 7.531547 Mulliken atomic charges: 1 1 Cu 0.186535 2 Cu -0.195314 3 Cu 0.163127 4 Cu -0.150318 5 Cu -0.157719 6 Cu 0.129207 7 Cu -0.193595 8 Cu 0.188005 9 C 0.132883 10 O -0.102812 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.186535 2 Cu -0.195314 3 Cu 0.163127 4 Cu -0.150318 5 Cu -0.157719 6 Cu 0.129207 7 Cu -0.193595 8 Cu 0.188005 9 C 0.132883 10 O -0.102812 Sum of Mulliken charges= 0.00000 APT atomic charges: 1 1 Cu 0.093101 2 Cu -0.080620 3 Cu 0.082385 4 Cu -0.128171 5 Cu -0.034727 6 Cu -0.073415 7 Cu -0.077867 8 Cu 0.094431 9 C 0.981304 10 O -0.856420 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 Cu 0.093101 2 Cu -0.080620 3 Cu 0.082385 4 Cu -0.128171 5 Cu -0.034727 6 Cu -0.073415 7 Cu -0.077867 8 Cu 0.094431 9 C 0.981304 10 O -0.856420 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 3720.3940 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.2683 Y= -0.4703 Z= 1.3358 Tot= 1.4414 Quadrupole moment (field-independent basis, Debye-Ang): XX= -113.8801 YY= -117.5756 ZZ= -110.8108 XY= 2.8759 XZ= -0.2996 YZ= 0.0532 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.2088 YY= -3.4868 ZZ= 3.2780 XY= 2.8759 XZ= -0.2996 YZ= 0.0532 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 14.1082 YYY= 202.1936 ZZZ= -73.9437 XYY= -15.6232 XXY= 61.9420 XXZ= -36.8302 XZZ= 8.5210 YZZ= 54.0545 YYZ= -36.2310 XYZ= -0.7282 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1307.1813 YYYY= -2272.5817 ZZZZ= -1061.2754 XXXY= 243.7377 XXXZ= -41.2119 YYYX= 307.1240 YYYZ= 132.4867 ZZZX= -8.8746 ZZZY= 72.3211 XXYY= -593.8043 XXZZ= -404.1810 YYZZ= -548.8147 XXYZ= 44.6734 YYXZ= -7.5315 ZZXY= 74.1748 N-N= 2.113802314700D+03 E-N=-8.338034429714D+03 KE= 1.132178925254D+03 Exact polarizability: 285.014 -24.175 318.249 2.450 -5.458 270.985 Approx polarizability: 631.747 -44.133 692.770 4.914 -10.208 607.500 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 11 14:52:17 2008, MaxMem= 1258291200 cpu: 1.4 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Use density number 0. Dipole = 1.05564791D-01-1.85047482D-01 5.25543887D-01 Polarizability= 2.85013893D+02-2.41747018D+01 3.18248795D+02 2.45024908D+00-5.45816143D+00 2.70984660D+02 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 29 0.000077372 -0.000033508 0.000079150 2 29 -0.000075223 0.000002954 -0.000084945 3 29 -0.000028540 0.000037935 0.000025876 4 29 -0.000002553 0.000017761 -0.000306504 5 29 0.000032412 -0.000042988 0.000030568 6 29 -0.000043580 0.000118754 0.000314215 7 29 0.000019463 0.000095733 -0.000108003 8 29 0.000015632 -0.000144333 0.000109924 9 6 0.000118021 -0.000498139 0.000121742 10 8 -0.000113004 0.000445831 -0.000182023 ------------------------------------------------------------------- Cartesian Forces: Max 0.000498139 RMS 0.000165120 Leave Link 716 at Fri Apr 11 14:52:17 2008, MaxMem= 1258291200 cpu: 0.3 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l106.exe) NDeriv= 3 NFrqRd= 0 LFDDif= 0 NDeriv= 3 NFrqRd= 0 LFDDif= 0 Re-enter D2Numr: IAtom= 0 IXYZ=3 IStep= 2. Max difference between analytic and numerical Dipole moment IMax= 2 EMax= 9.98D-04 Max difference between off-diagonal Polarizability IMax= 1 JMax= 3 EMax= 3.16D-02 Max difference between analytic and numerical Polarizability IMax= 6 EMax= 2.74D-01 Max difference between off-diagonal HyperPolarizability IMax= 1 JMax= 2 KMax= 2 EMax= 7.25D+00 Final packed hyperpolarizability: K= 1 block: 1 1 -0.382174D+03 K= 2 block: 1 2 1 0.416419D+03 2 -0.924601D+03 0.169569D+04 K= 3 block: 1 2 3 1 -0.586575D+03 2 -0.192433D+03 -0.298441D+03 3 0.990094D+02 0.216282D+03 0.645085D+03 Max difference between off-diagonal Polar Derivs IMax= 1 JMax= 3 KMax= 29 EMax= 1.10D-02 Leave Link 106 at Fri Apr 11 14:52:18 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l716.exe) Dipole = 1.00790195D-01-1.75169221D-01 1.33785981D-02 Polarizability= 2.83641302D+02-2.45493687D+01 3.17473462D+02 2.61278778D+00-5.01346178D+00 2.71353544D+02 HyperPolar =-3.82174182D+02 4.16419157D+02-9.24600504D+02 1.69568888D+03-5.86574536D+02-1.92433037D+02 -2.98440962D+02 9.90093571D+01 2.16281889D+02 6.45084986D+02 Full mass-weighted force constant matrix: Low frequencies --- -4.6129 -1.5817 -0.0004 -0.0001 0.0004 3.6361 Low frequencies --- 24.8400 26.3980 49.4696 Diagonal vibrational polarizability: 9.1752928 12.3361596 8.7044208 Diagonal vibrational hyperpolarizability: -155.3097128 267.0552062 21.4505365 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 -- 24.8355 26.3939 49.4689 Red. masses -- 19.5637 19.6013 60.7544 Frc consts -- 0.0071 0.0080 0.0876 IR Inten -- 0.1277 0.1254 0.0185 Raman Activ -- 1.1800 1.1134 2.9840 Depolar (P) -- 0.7497 0.7499 0.7498 Depolar (U) -- 0.8569 0.8571 0.8570 Atom AN X Y Z X Y Z X Y Z 1 29 0.02 -0.05 0.02 -0.04 0.06 0.01 -0.01 0.13 -0.14 2 29 -0.01 -0.13 0.03 0.05 0.01 0.10 0.02 -0.40 0.14 3 29 0.00 -0.03 0.00 0.04 -0.07 0.01 0.06 0.19 -0.02 4 29 0.10 0.05 -0.05 -0.04 -0.03 -0.12 -0.26 -0.12 0.20 5 29 -0.11 -0.01 0.03 -0.01 0.12 0.06 0.27 0.36 0.06 6 29 -0.10 -0.05 0.05 0.04 0.03 0.10 -0.23 -0.10 0.18 7 29 -0.10 0.03 0.05 0.05 -0.06 0.10 0.00 0.16 -0.43 8 29 -0.04 0.07 -0.01 0.00 0.02 0.01 0.12 -0.24 0.02 9 6 0.27 0.12 -0.13 -0.10 -0.09 -0.29 -0.07 -0.03 0.06 10 8 0.75 0.33 -0.36 -0.29 -0.24 -0.82 0.14 0.05 -0.11 4 5 6 A A A Frequencies -- 50.5919 85.3712 85.5139 Red. masses -- 60.4133 61.7325 61.7316 Frc consts -- 0.0911 0.2651 0.2660 IR Inten -- 0.0172 0.8209 0.8122 Raman Activ -- 2.9915 3.7989 3.7954 Depolar (P) -- 0.7500 0.7488 0.7495 Depolar (U) -- 0.8571 0.8563 0.8568 Atom AN X Y Z X Y Z X Y Z 1 29 -0.14 0.19 0.05 -0.16 0.06 0.02 0.05 0.07 -0.26 2 29 0.22 0.15 0.38 -0.11 0.26 0.26 0.35 -0.07 0.13 3 29 0.18 -0.16 0.01 -0.20 -0.19 -0.01 0.13 -0.10 -0.08 4 29 -0.17 -0.11 -0.28 0.53 0.24 0.10 -0.12 0.02 0.59 5 29 0.35 -0.19 -0.17 0.24 0.25 -0.06 -0.21 0.17 -0.29 6 29 -0.15 -0.10 -0.25 -0.14 -0.06 -0.02 0.03 -0.01 -0.15 7 29 -0.39 0.17 0.10 -0.07 -0.34 -0.18 -0.12 -0.16 0.29 8 29 0.08 0.05 0.13 -0.07 -0.22 -0.10 -0.11 0.07 -0.21 9 6 -0.04 -0.03 -0.07 -0.13 -0.06 -0.03 0.03 -0.01 -0.15 10 8 0.10 0.07 0.17 0.03 0.03 0.01 -0.01 0.00 0.04 7 8 9 A A A Frequencies -- 88.0951 109.3314 113.5221 Red. masses -- 61.9704 34.7910 62.3016 Frc consts -- 0.2834 0.2450 0.4731 IR Inten -- 1.1745 0.0721 0.0075 Raman Activ -- 7.1030 2.4766 2.4573 Depolar (P) -- 0.6995 0.7360 0.7496 Depolar (U) -- 0.8232 0.8479 0.8569 Atom AN X Y Z X Y Z X Y Z 1 29 -0.18 0.21 -0.02 0.06 0.04 0.04 0.02 0.04 0.00 2 29 -0.14 -0.36 0.24 0.14 -0.16 -0.02 0.18 -0.12 -0.21 3 29 -0.15 0.21 0.03 0.00 -0.02 -0.05 0.14 -0.16 0.59 4 29 -0.09 0.36 -0.06 0.02 -0.03 0.00 0.04 0.01 -0.08 5 29 0.18 -0.31 -0.30 0.08 -0.19 0.12 0.02 0.13 -0.22 6 29 0.04 -0.09 0.02 -0.24 0.44 -0.04 0.04 0.08 -0.15 7 29 0.42 -0.16 0.12 0.01 -0.24 0.00 0.09 -0.01 -0.22 8 29 -0.09 0.20 -0.04 0.05 -0.05 -0.01 -0.51 0.00 0.30 9 6 0.02 -0.09 0.02 -0.24 0.47 -0.05 -0.02 0.07 -0.04 10 8 0.04 -0.09 0.01 -0.24 0.47 -0.06 -0.03 0.07 -0.03 10 11 12 A A A Frequencies -- 113.9760 122.7718 123.1451 Red. masses -- 62.3834 62.2717 62.2702 Frc consts -- 0.4775 0.5530 0.5564 IR Inten -- 0.0066 0.0005 0.0008 Raman Activ -- 2.5228 0.0147 0.0053 Depolar (P) -- 0.7490 0.7355 0.3532 Depolar (U) -- 0.8565 0.8476 0.5220 Atom AN X Y Z X Y Z X Y Z 1 29 0.36 0.55 0.25 0.34 -0.35 0.12 0.12 -0.10 -0.06 2 29 -0.26 -0.01 -0.10 0.08 0.14 0.15 -0.08 0.28 -0.11 3 29 0.08 -0.09 0.30 -0.13 0.34 0.08 0.17 -0.32 -0.07 4 29 -0.07 -0.03 -0.02 -0.15 -0.09 -0.15 -0.14 -0.05 0.17 5 29 -0.23 -0.03 -0.12 0.03 0.28 0.02 0.24 -0.15 -0.06 6 29 -0.10 -0.13 -0.03 -0.34 -0.21 -0.34 -0.32 -0.10 0.40 7 29 -0.12 -0.23 -0.08 0.20 -0.26 0.11 0.16 -0.04 -0.19 8 29 0.32 0.00 -0.20 -0.01 0.14 0.01 -0.13 0.48 -0.10 9 6 0.01 -0.08 0.00 -0.07 -0.03 -0.07 -0.07 0.00 0.08 10 8 0.01 -0.07 0.00 0.02 0.03 0.03 0.02 0.03 -0.04 13 14 15 A A A Frequencies -- 127.9503 142.0364 150.1814 Red. masses -- 62.9246 61.4873 60.8350 Frc consts -- 0.6070 0.7309 0.8084 IR Inten -- 0.0001 0.0015 0.0684 Raman Activ -- 0.0012 25.0276 3.6373 Depolar (P) -- 0.7494 0.0290 0.7500 Depolar (U) -- 0.8567 0.0564 0.8571 Atom AN X Y Z X Y Z X Y Z 1 29 -0.20 -0.07 0.44 -0.17 -0.17 -0.10 0.12 0.07 -0.35 2 29 -0.14 -0.08 -0.25 0.28 0.03 -0.18 0.17 0.25 -0.09 3 29 0.45 0.21 -0.04 0.05 -0.04 0.24 0.06 0.37 0.14 4 29 -0.01 0.00 0.01 -0.31 0.58 -0.05 0.08 0.03 -0.15 5 29 0.29 0.12 -0.03 0.05 -0.04 0.33 -0.06 -0.20 -0.21 6 29 -0.02 0.00 0.03 0.06 -0.11 0.00 -0.24 -0.08 0.42 7 29 -0.11 -0.04 0.26 -0.20 -0.22 -0.12 -0.06 -0.03 0.20 8 29 -0.25 -0.14 -0.41 0.22 0.02 -0.12 -0.07 -0.40 0.02 9 6 -0.01 0.00 0.01 0.05 -0.11 0.01 -0.09 -0.04 0.17 10 8 0.00 0.00 0.00 0.06 -0.11 0.01 0.03 0.00 -0.05 16 17 18 A A A Frequencies -- 150.6304 197.9549 205.1591 Red. masses -- 60.7616 54.7703 60.8888 Frc consts -- 0.8123 1.2645 1.5100 IR Inten -- 0.0700 0.5867 0.1383 Raman Activ -- 3.6911 27.2518 5.5376 Depolar (P) -- 0.7449 0.0639 0.7431 Depolar (U) -- 0.8538 0.1202 0.8526 Atom AN X Y Z X Y Z X Y Z 1 29 0.34 -0.20 0.09 -0.09 0.34 0.02 0.11 0.21 -0.05 2 29 0.04 -0.04 0.23 0.28 -0.02 -0.16 0.16 0.01 -0.05 3 29 -0.36 0.05 0.14 -0.17 0.30 -0.13 -0.29 -0.24 0.14 4 29 -0.13 -0.05 -0.09 0.15 -0.28 0.03 0.00 0.00 0.00 5 29 0.19 -0.03 -0.17 0.08 -0.08 0.29 0.11 -0.08 0.35 6 29 0.37 0.22 0.25 0.09 -0.15 0.02 -0.16 -0.10 -0.15 7 29 -0.32 0.01 -0.12 -0.17 -0.26 -0.11 0.27 0.40 0.19 8 29 -0.15 0.04 -0.34 -0.23 0.28 0.03 -0.19 -0.18 -0.42 9 6 0.15 0.08 0.10 0.13 -0.25 0.04 -0.13 -0.09 -0.12 10 8 -0.04 -0.03 -0.03 0.13 -0.26 0.03 0.04 0.02 0.03 19 20 21 A A A Frequencies -- 205.6139 213.8900 270.8878 Red. masses -- 60.7946 60.9874 12.9309 Frc consts -- 1.5143 1.6439 0.5591 IR Inten -- 0.1478 0.7098 0.7639 Raman Activ -- 5.6959 30.8348 7.5003 Depolar (P) -- 0.7409 0.0183 0.7493 Depolar (U) -- 0.8511 0.0359 0.8567 Atom AN X Y Z X Y Z X Y Z 1 29 -0.18 -0.02 0.48 -0.43 -0.16 -0.20 0.01 0.00 -0.01 2 29 0.44 -0.02 -0.26 -0.03 -0.01 0.02 -0.01 0.02 0.00 3 29 -0.36 -0.10 -0.11 -0.04 0.12 0.49 0.02 0.00 0.00 4 29 -0.01 0.02 0.00 0.20 -0.37 0.04 -0.02 -0.01 0.01 5 29 -0.06 0.11 -0.37 -0.01 0.01 -0.06 0.00 -0.01 0.00 6 29 -0.14 -0.05 0.18 -0.04 0.06 0.00 0.07 0.04 -0.04 7 29 0.08 0.10 0.01 0.04 0.04 0.02 0.01 -0.01 0.00 8 29 0.23 -0.02 0.06 0.34 0.24 -0.30 0.00 0.01 0.00 9 6 -0.11 -0.05 0.15 -0.07 0.12 -0.01 -0.77 -0.35 0.41 10 8 0.04 0.00 -0.04 -0.06 0.13 -0.02 0.28 0.10 -0.14 22 23 24 A A A Frequencies -- 272.0247 347.2054 1992.1574 Red. masses -- 12.9252 19.3916 13.3763 Frc consts -- 0.5635 1.3773 31.2775 IR Inten -- 0.7228 3.4887 978.8465 Raman Activ -- 7.4131 8.9291 405.9472 Depolar (P) -- 0.7500 0.0426 0.7487 Depolar (U) -- 0.8571 0.0816 0.8563 Atom AN X Y Z X Y Z X Y Z 1 29 0.00 0.00 0.01 -0.01 -0.02 -0.01 0.00 0.00 0.00 2 29 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 3 29 0.00 0.01 0.01 0.01 -0.01 0.02 0.00 0.00 0.00 4 29 -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 5 29 -0.01 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 6 29 0.03 0.03 0.08 -0.15 0.29 -0.03 0.00 0.00 0.00 7 29 0.01 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.00 8 29 0.01 0.00 0.01 0.02 0.00 -0.01 0.00 0.00 0.00 9 6 -0.33 -0.27 -0.84 0.31 -0.57 0.06 0.36 -0.72 0.09 10 8 0.11 0.09 0.29 0.30 -0.61 0.08 -0.26 0.52 -0.07 ------------------- - 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 -- 5206.328987160.173097163.03185 X -0.46212 -0.45487 0.76127 Y 0.88177 -0.14426 0.44907 Z -0.09445 0.87880 0.46776 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 0.01210 0.01209 Rotational constants (GHZ): 0.34664 0.25205 0.25195 Zero-point vibrational energy 31513.9 (Joules/Mol) 7.53200 (Kcal/Mol) Warning -- explicit consideration of 23 degrees of freedom as vibrations may cause significant error Vibrational temperatures: 35.73 37.97 71.17 72.79 122.83 (Kelvin) 123.04 126.75 157.30 163.33 163.99 176.64 177.18 184.09 204.36 216.08 216.72 284.81 295.18 295.83 307.74 389.75 391.38 499.55 2866.27 Zero-point correction= 0.012003 (Hartree/Particle) Thermal correction to Energy= 0.030192 Thermal correction to Enthalpy= 0.031136 Thermal correction to Gibbs Free Energy= -0.040778 Sum of electronic and zero-point Energies= -1682.738305 Sum of electronic and thermal Energies= -1682.720116 Sum of electronic and thermal Enthalpies= -1682.719172 Sum of electronic and thermal Free Energies= -1682.791086 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 18.946 49.453 151.356 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 44.697 Rotational 0.889 2.981 33.945 Vibrational 17.168 43.491 72.713 Vibration 1 0.593 1.985 6.204 Vibration 2 0.593 1.985 6.084 Vibration 3 0.595 1.978 4.839 Vibration 4 0.595 1.977 4.794 Vibration 5 0.601 1.959 3.763 Vibration 6 0.601 1.959 3.760 Vibration 7 0.601 1.958 3.702 Vibration 8 0.606 1.942 3.281 Vibration 9 0.607 1.938 3.208 Vibration 10 0.607 1.938 3.200 Vibration 11 0.610 1.930 3.056 Vibration 12 0.610 1.930 3.050 Vibration 13 0.611 1.925 2.977 Vibration 14 0.616 1.911 2.776 Vibration 15 0.618 1.902 2.670 Vibration 16 0.618 1.902 2.664 Vibration 17 0.637 1.843 2.152 Vibration 18 0.640 1.833 2.086 Vibration 19 0.640 1.832 2.082 Vibration 20 0.644 1.820 2.010 Vibration 21 0.675 1.727 1.591 Vibration 22 0.675 1.725 1.583 Vibration 23 0.725 1.581 1.179 Q Log10(Q) Ln(Q) Total Bot 0.570720D+19 18.756423 43.188261 Total V=0 0.189413D+25 24.277409 55.900800 Vib (Bot) 0.202616D+04 3.306675 7.613900 Vib (Bot) 1 0.833891D+01 0.921109 2.120932 Vib (Bot) 2 0.784594D+01 0.894645 2.059996 Vib (Bot) 3 0.417906D+01 0.621079 1.430087 Vib (Bot) 4 0.408585D+01 0.611283 1.407530 Vib (Bot) 5 0.241026D+01 0.382064 0.879734 Vib (Bot) 6 0.240618D+01 0.381328 0.878040 Vib (Bot) 7 0.233467D+01 0.368225 0.847869 Vib (Bot) 8 0.187358D+01 0.272672 0.627850 Vib (Bot) 9 0.180279D+01 0.255944 0.589333 Vib (Bot) 10 0.179543D+01 0.254168 0.585243 Vib (Bot) 11 0.166345D+01 0.221010 0.508894 Vib (Bot) 12 0.165826D+01 0.219653 0.505770 Vib (Bot) 13 0.159413D+01 0.202523 0.466327 Vib (Bot) 14 0.143078D+01 0.155574 0.358222 Vib (Bot) 15 0.135009D+01 0.130363 0.300171 Vib (Bot) 16 0.134589D+01 0.129010 0.297056 Vib (Bot) 17 0.100806D+01 0.003486 0.008028 Vib (Bot) 18 0.969967D+00 -0.013243 -0.030493 Vib (Bot) 19 0.967649D+00 -0.014282 -0.032886 Vib (Bot) 20 0.927131D+00 -0.032859 -0.075660 Vib (Bot) 21 0.713114D+00 -0.146841 -0.338113 Vib (Bot) 22 0.709720D+00 -0.148913 -0.342884 Vib (Bot) 23 0.532346D+00 -0.273806 -0.630463 Vib (V=0) 0.672451D+09 8.827660 20.326439 Vib (V=0) 1 0.885388D+01 0.947134 2.180856 Vib (V=0) 2 0.836186D+01 0.922303 2.123680 Vib (V=0) 3 0.470887D+01 0.672917 1.549448 Vib (V=0) 4 0.461633D+01 0.664297 1.529600 Vib (V=0) 5 0.296157D+01 0.471523 1.085721 Vib (V=0) 6 0.295758D+01 0.470936 1.084371 Vib (V=0) 7 0.288761D+01 0.460538 1.060428 Vib (V=0) 8 0.243915D+01 0.387238 0.891649 Vib (V=0) 9 0.237084D+01 0.374902 0.863244 Vib (V=0) 10 0.236375D+01 0.373601 0.860249 Vib (V=0) 11 0.223697D+01 0.349660 0.805123 Vib (V=0) 12 0.223200D+01 0.348695 0.802899 Vib (V=0) 13 0.217070D+01 0.336600 0.775051 Vib (V=0) 14 0.201563D+01 0.304411 0.700933 Vib (V=0) 15 0.193970D+01 0.287735 0.662534 Vib (V=0) 16 0.193576D+01 0.286853 0.660503 Vib (V=0) 17 0.162525D+01 0.210920 0.485661 Vib (V=0) 18 0.159125D+01 0.201740 0.464523 Vib (V=0) 19 0.158919D+01 0.201177 0.463227 Vib (V=0) 20 0.155336D+01 0.191273 0.440422 Vib (V=0) 21 0.137094D+01 0.137018 0.315495 Vib (V=0) 22 0.136816D+01 0.136137 0.313467 Vib (V=0) 23 0.123034D+01 0.090024 0.207288 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.481533D+09 8.682626 19.992486 Rotational 0.584955D+07 6.767122 15.581875 Cu8CO06 IR Spectrum 1 9 3 22 221111111 9 4 77 109542210885422 2 7 21 458028349851965 X X XX XXXX XXX XX X X X X X X X X X X X X X X X X X X X Cu8CO06 Raman Spectrum 1 9 3 22222111111111 9 4 77100955422110885422 2 7 21465810283449851965 X X XXXXXXXXX XXXXXXXXX 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 0.000061704 0.000015307 -0.000064289 2 29 -0.000009446 -0.000004986 0.000026603 3 29 0.000023756 -0.000032546 0.000012380 4 29 -0.000006511 0.000022900 -0.000008105 5 29 0.000000485 -0.000020182 -0.000048910 6 29 -0.000004345 0.000047183 0.000183377 7 29 -0.000003258 0.000048335 0.000018053 8 29 -0.000032148 -0.000091900 -0.000024169 9 6 -0.000114500 -0.000025222 -0.000113521 10 8 0.000084262 0.000041113 0.000018581 ------------------------------------------------------------------- Cartesian Forces: Max 0.000183377 RMS 0.000057324 Force constants in Cartesian coordinates: 1 2 3 4 5 1 0.471644D-01 2 0.630403D-02 0.397589D-01 3 0.714956D-03 0.164501D-02 0.475235D-01 4 -0.796019D-02 0.721737D-02 0.127058D-01 0.456356D-01 5 0.502716D-02 -0.374670D-02 -0.713836D-02 -0.322664D-03 0.145997D-01 6 0.102559D-01 -0.851612D-02 -0.146335D-01 -0.187380D-01 -0.525513D-03 7 -0.240592D-02 -0.636745D-02 -0.120370D-01 -0.273800D-01 0.196851D-02 8 -0.621706D-02 -0.328911D-04 -0.750584D-02 0.243342D-02 0.207632D-03 9 -0.127563D-01 -0.826211D-02 -0.177219D-01 -0.252344D-02 0.149336D-03 10 -0.148153D-01 0.742200D-02 -0.531738D-02 -0.905339D-03 0.135923D-02 11 0.111493D-01 -0.580303D-02 0.424483D-02 -0.704329D-05 0.174618D-03 12 -0.481194D-02 0.256967D-02 -0.239308D-02 0.264722D-03 -0.104633D-02 13 0.117382D-03 -0.160842D-02 0.203193D-02 0.383407D-03 -0.484657D-04 14 -0.257512D-02 -0.997692D-02 0.119554D-01 0.889735D-04 -0.614448D-03 15 0.405308D-02 0.147678D-01 -0.165439D-01 -0.160073D-03 -0.409872D-04 16 0.156155D-02 0.983073D-03 -0.612855D-03 -0.666497D-02 -0.613638D-02 17 -0.564972D-03 -0.142368D-01 -0.285018D-02 -0.916793D-02 -0.733674D-02 18 -0.845830D-03 -0.210694D-02 0.255583D-02 0.739539D-02 0.639268D-02 19 -0.162436D-02 -0.134060D-03 -0.212356D-04 -0.978527D-03 -0.710399D-03 20 -0.294427D-03 -0.221539D-02 -0.218612D-03 0.666024D-04 -0.417271D-03 21 -0.444266D-04 -0.145416D-03 -0.165677D-02 0.512519D-03 0.952383D-03 22 -0.209492D-01 -0.137920D-01 0.284404D-02 -0.216647D-02 0.268150D-03 23 -0.134202D-01 -0.282337D-02 -0.342817D-03 0.133835D-03 -0.162527D-02 24 0.366741D-02 0.162879D-03 0.339065D-02 0.262511D-03 -0.154539D-03 25 -0.183772D-02 0.246105D-03 -0.310565D-03 0.182687D-03 -0.328788D-02 26 0.652270D-03 -0.118068D-02 0.309508D-03 -0.869513D-03 -0.104732D-03 27 -0.259305D-03 0.623061D-04 -0.115672D-02 0.398058D-03 0.205694D-02 28 0.749440D-03 -0.270667D-03 0.226344D-05 -0.146204D-03 0.188274D-02 29 -0.609429D-04 0.256975D-03 -0.989364D-04 0.426953D-03 -0.113676D-02 30 0.264186D-04 -0.177080D-03 0.635876D-03 -0.117532D-03 -0.645607D-03 6 7 8 9 10 6 0.240741D-01 7 0.101842D-02 0.448579D-01 8 -0.743568D-05 0.422620D-02 0.387882D-01 9 0.759626D-03 -0.412267D-03 0.119511D-02 0.514250D-01 10 -0.292077D-03 -0.380618D-02 0.692837D-02 0.486355D-02 0.209432D-01 11 -0.253414D-03 0.659580D-02 -0.149278D-01 -0.997982D-02 -0.179473D-01 12 -0.179145D-03 0.297373D-02 -0.634818D-02 -0.442897D-02 0.170730D-02 13 0.153251D-02 -0.168819D-02 0.912091D-04 -0.247687D-03 -0.510493D-03 14 0.210921D-03 0.107940D-03 -0.174319D-02 0.392367D-03 0.945370D-04 15 -0.810762D-03 -0.174766D-03 0.239724D-03 -0.205686D-02 -0.839866D-04 16 0.615046D-02 -0.178399D-03 0.547275D-02 -0.449072D-02 -0.238869D-02 17 0.813995D-02 0.567844D-02 -0.593751D-02 0.701350D-02 -0.380844D-03 18 -0.732016D-02 -0.369729D-02 0.549758D-02 -0.408788D-02 0.477597D-04 19 -0.804645D-03 -0.598554D-02 -0.117230D-01 0.329825D-02 0.617541D-03 20 0.174751D-03 -0.109636D-01 -0.202764D-01 0.571497D-02 -0.102038D-02 21 0.356698D-03 0.140882D-02 0.280499D-02 -0.145997D-03 0.332782D-03 22 0.210069D-03 -0.283767D-02 -0.159861D-02 0.120362D-01 -0.619674D-04 23 -0.767120D-04 -0.154050D-02 0.500804D-02 0.433301D-02 0.188498D-02 24 -0.171177D-02 0.109929D-01 0.403967D-02 -0.229005D-01 -0.108598D-02 25 0.138233D-02 -0.118623D-02 0.350575D-03 0.345952D-03 0.207674D-02 26 0.654901D-03 0.260901D-03 -0.171809D-02 -0.703267D-03 0.233223D-02 27 -0.821974D-03 0.157022D-03 -0.277275D-03 -0.124311D-02 -0.223364D-03 28 -0.714996D-03 0.610215D-03 0.361016D-04 -0.113563D-03 -0.114950D-02 29 0.198667D-03 0.337375D-04 0.632010D-03 0.146904D-03 -0.672826D-03 30 0.286883D-03 -0.229529D-03 0.361665D-03 0.400589D-03 0.513883D-04 11 12 13 14 15 11 0.449176D-01 12 -0.325651D-02 0.117449D-01 13 -0.614693D-04 -0.868245D-03 0.156060D-01 14 -0.290135D-03 0.170404D-02 -0.280472D-02 0.165053D-01 15 0.230706D-03 -0.116099D-03 0.839311D-02 -0.858616D-02 0.523182D-01 16 -0.383270D-03 0.464800D-04 -0.430586D-03 0.593550D-03 0.314082D-02 17 -0.184350D-02 -0.911945D-04 0.275295D-03 -0.267265D-02 -0.920390D-02 18 -0.945161D-04 -0.257899D-02 0.141325D-02 -0.601079D-02 -0.179606D-01 19 0.492824D-03 0.562689D-03 -0.439351D-03 0.223803D-03 0.482323D-04 20 -0.124808D-02 -0.580541D-03 0.453153D-03 -0.517051D-04 -0.266760D-04 21 0.103248D-03 -0.283705D-03 -0.112101D-02 -0.124571D-02 -0.550229D-03 22 -0.150051D-02 0.299366D-03 -0.131704D-01 0.404938D-02 -0.155205D-01 23 -0.196884D-01 0.673052D-02 0.338086D-02 -0.553289D-03 0.348935D-02 24 0.869022D-02 -0.354678D-02 -0.119529D-01 0.341555D-02 -0.128615D-01 25 0.235706D-02 -0.236775D-03 0.608533D-03 -0.602589D-03 0.112144D-03 26 -0.969645D-03 0.432604D-03 -0.404907D-03 0.882235D-03 -0.620697D-03 27 0.412928D-03 0.331185D-02 0.145436D-02 -0.322942D-02 -0.231038D-02 28 -0.695369D-03 0.626641D-04 -0.476273D-03 0.824249D-03 0.191915D-03 29 -0.321659D-03 -0.114081D-03 0.727460D-03 -0.148516D-02 -0.249153D-03 30 -0.976775D-04 -0.153001D-02 -0.635360D-03 0.139381D-02 0.892084D-03 16 17 18 19 20 16 0.549997D-01 17 -0.326370D-01 0.101308D+00 18 0.396778D-02 -0.731201D-02 0.388832D-01 19 -0.171799D-01 -0.179401D-02 -0.779303D-02 0.273603D-01 20 -0.511627D-02 0.783417D-04 -0.224298D-02 0.167861D-01 0.383556D-01 21 -0.828174D-02 -0.773247D-03 -0.421279D-02 0.879958D-02 0.113059D-01 22 -0.775150D-02 0.791612D-02 0.315951D-02 0.306054D-03 -0.614879D-03 23 0.659096D-02 -0.357281D-02 -0.101445D-02 -0.283662D-02 -0.147075D-01 24 0.370538D-02 -0.176450D-02 0.185565D-02 -0.300563D-02 -0.145040D-01 25 -0.235219D-01 0.235492D-01 -0.275614D-02 -0.250663D-02 0.550141D-03 26 0.239812D-01 -0.574851D-01 0.520409D-02 -0.213835D-02 0.208703D-02 27 -0.290951D-02 0.538761D-02 -0.120376D-01 -0.150587D-02 0.488890D-03 28 0.155477D-02 0.712566D-02 -0.891415D-03 0.430380D-03 0.153529D-03 29 0.665131D-02 -0.830130D-02 0.168734D-02 0.183365D-02 -0.160460D-02 30 -0.716094D-03 0.145397D-02 0.490341D-02 0.421660D-03 -0.111678D-03 21 22 23 24 25 21 0.185724D-01 22 -0.671938D-03 0.472987D-01 23 -0.129229D-01 0.543665D-02 0.392376D-01 24 -0.118540D-01 -0.260080D-02 -0.348313D-03 0.482130D-01 25 -0.118227D-02 -0.945704D-03 0.165748D-03 -0.102207D-03 0.231866D+00 26 -0.684998D-03 -0.192214D-03 -0.204950D-02 0.536314D-03 -0.411916D+00 27 -0.342745D-03 0.516953D-04 0.331287D-03 -0.118200D-02 0.511348D-01 28 0.247682D-03 0.278197D-03 0.204297D-03 0.119332D-03 -0.204736D+00 29 0.605766D-03 0.278879D-04 0.774484D-03 -0.732425D-04 0.388588D+00 30 0.117133D-03 0.192314D-03 -0.178955D-03 0.597174D-03 -0.483873D-01 26 27 28 29 30 26 0.858723D+00 27 -0.102925D+00 0.406186D-01 28 0.388295D+00 -0.482979D-01 0.202885D+00 29 -0.798184D+00 0.976920D-01 -0.397555D+00 0.809370D+00 30 0.977968D-01 -0.248359D-01 0.493940D-01 -0.997953D-01 0.185328D-01 Leave Link 716 at Fri Apr 11 14:52:18 2008, MaxMem= 1258291200 cpu: 0.2 (Enter /usr/apps/chemistry/gaussian/G03/e01/g03/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000043395 RMS 0.000010074 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 0.00000 0.00017 0.00150 0.00292 Eigenvalues --- 0.00310 0.00603 0.00659 0.00794 0.00943 Eigenvalues --- 0.01043 0.01318 0.01406 0.01546 0.01706 Eigenvalues --- 0.02161 0.02237 0.02263 0.02670 0.02890 Eigenvalues --- 0.03125 0.04832 0.06437 1.018671000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 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 --- 1000.000001000.000001000.000001000.00000 Eigenvalue 1 out of range, new value = 0.000002 Eigenvector: 1 R1 0.00133 R2 -0.00055 R3 -0.00114 R4 0.00109 R5 -0.00267 R6 -0.00206 R7 0.00071 R8 0.00276 R9 0.00441 R10 -0.00146 R11 0.00936 R12 -0.00224 R13 -0.00050 R14 0.00018 R15 0.03260 R16 0.01976 R17 -0.00006 A1 -0.00063 A2 0.00015 A3 0.00027 A4 -0.00004 A5 0.00055 A6 0.00019 A7 -0.00008 A8 -0.00136 A9 0.00148 A10 0.00058 A11 -0.00026 A12 -0.00040 A13 -0.00008 A14 0.00032 A15 -0.00606 A16 -0.00049 A17 -0.00032 A18 0.00070 A19 -0.01697 A20 -0.00041 A21 0.00018 A22 -0.00043 A23 -0.00740 A24 0.00019 A25 -0.00069 A26 0.00010 A27 -0.00742 A28 0.00065 A29 -0.00408 A30 0.03029 A31 -0.00973 A32 0.03781 A33 0.02113 A34 0.04899 A35 -0.00707 A36 -0.01437 A37 -0.00756 A38 -0.00780 A39 -0.00918 A40 0.02035 A41 0.00101 A42 0.00156 D1 0.00007 D2 0.00007 D3 0.00002 D4 0.00002 D5 0.00010 D6 -0.00052 D7 0.00022 D8 -0.00040 D9 0.00056 D10 0.00123 D11 0.00846 D12 0.00004 D13 0.00071 D14 0.00794 D15 -0.00010 D16 -0.14436 D17 -0.00847 D18 -0.15274 D19 0.00024 D20 -0.00055 D21 0.00083 D22 0.00004 D23 0.00062 D24 0.00034 D25 0.00837 D26 0.00091 D27 0.00064 D28 0.00866 D29 0.00149 D30 -0.00842 D31 0.00173 D32 -0.00818 D33 -0.00026 D34 0.00013 D35 -0.00094 D36 -0.00054 D37 -0.00009 D38 0.00021 D39 -0.00188 D40 -0.00006 D41 0.00023 D42 -0.00186 D43 0.00669 D44 0.13425 D45 0.01327 D46 0.14083 D47 0.00021 D48 -0.00018 D49 0.00333 D50 0.00119 D51 0.00080 D52 0.00432 D53 -0.46820 D54 0.09701 D55 -0.45323 D56 0.11198 D57 -0.00022 D58 -0.00063 D59 0.00035 D60 -0.00006 D61 -0.00009 D62 0.00002 D63 -0.00010 D64 0.00001 D65 -0.00597 D66 -0.05920 D67 -0.00068 D68 -0.00005 D69 -0.00089 D70 -0.00027 D71 -0.01487 D72 0.67359 D73 -0.00113 D74 -0.00082 D75 -0.00085 D76 -0.00054 D77 0.00523 D78 0.06699 D79 -0.01596 D80 0.01226 Quadratic step=3.534D+00 exceeds max=3.000D-01 adjusted using Lamda=-2.760D-05. Angle between NR and scaled steps= 35.83 degrees. Angle between quadratic step and forces= 73.34 degrees. Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00102225 RMS(Int)= 0.02285284 Iteration 2 RMS(Cart)= 0.00016267 RMS(Int)= 0.02246057 Iteration 3 RMS(Cart)= 0.00015870 RMS(Int)= 0.02207969 Iteration 4 RMS(Cart)= 0.00015499 RMS(Int)= 0.02170943 Iteration 5 RMS(Cart)= 0.00015150 RMS(Int)= 0.02134910 Iteration 6 RMS(Cart)= 0.00014821 RMS(Int)= 0.02099811 Iteration 7 RMS(Cart)= 0.00014505 RMS(Int)= 0.02065602 Iteration 8 RMS(Cart)= 0.00014198 RMS(Int)= 0.02032251 Iteration 9 RMS(Cart)= 0.00013894 RMS(Int)= 0.01999743 Iteration 10 RMS(Cart)= 0.00013585 RMS(Int)= 0.01968077 Iteration 11 RMS(Cart)= 0.00013266 RMS(Int)= 0.01937267 Iteration 12 RMS(Cart)= 0.00012935 RMS(Int)= 0.01907333 Iteration 13 RMS(Cart)= 0.00012591 RMS(Int)= 0.01878295 Iteration 14 RMS(Cart)= 0.00012239 RMS(Int)= 0.01850163 Iteration 15 RMS(Cart)= 0.00011883 RMS(Int)= 0.01822936 Iteration 16 RMS(Cart)= 0.00011530 RMS(Int)= 0.01796598 Iteration 17 RMS(Cart)= 0.00011185 RMS(Int)= 0.01771125 Iteration 18 RMS(Cart)= 0.00010852 RMS(Int)= 0.01746482 Iteration 19 RMS(Cart)= 0.00010532 RMS(Int)= 0.01722632 Iteration 20 RMS(Cart)= 0.00010226 RMS(Int)= 0.01699537 Iteration 21 RMS(Cart)= 0.00009934 RMS(Int)= 0.01677156 Iteration 22 RMS(Cart)= 0.00009657 RMS(Int)= 0.01655455 Iteration 23 RMS(Cart)= 0.00009393 RMS(Int)= 0.01634396 Iteration 24 RMS(Cart)= 0.00009142 RMS(Int)= 0.01613947 Iteration 25 RMS(Cart)= 0.00008902 RMS(Int)= 0.01594079 Iteration 26 RMS(Cart)= 0.00008674 RMS(Int)= 0.01574762 Iteration 27 RMS(Cart)= 0.00008456 RMS(Int)= 0.01555969 Iteration 28 RMS(Cart)= 0.00008247 RMS(Int)= 0.01537678 Iteration 29 RMS(Cart)= 0.00008048 RMS(Int)= 0.01519864 Iteration 30 RMS(Cart)= 0.00007856 RMS(Int)= 0.01502507 Iteration 31 RMS(Cart)= 0.00007673 RMS(Int)= 0.01485586 Iteration 32 RMS(Cart)= 0.00007496 RMS(Int)= 0.01469085 Iteration 33 RMS(Cart)= 0.00007327 RMS(Int)= 0.01452985 Iteration 34 RMS(Cart)= 0.00007164 RMS(Int)= 0.01437271 Iteration 35 RMS(Cart)= 0.00007006 RMS(Int)= 0.01421927 Iteration 36 RMS(Cart)= 0.00006855 RMS(Int)= 0.01406938 Iteration 37 RMS(Cart)= 0.00006709 RMS(Int)= 0.01392293 Iteration 38 RMS(Cart)= 0.00006568 RMS(Int)= 0.01377977 Iteration 39 RMS(Cart)= 0.00006432 RMS(Int)= 0.01363980 Iteration 40 RMS(Cart)= 0.00006300 RMS(Int)= 0.01350289 Iteration 41 RMS(Cart)= 0.00006173 RMS(Int)= 0.01336895 Iteration 42 RMS(Cart)= 0.00006049 RMS(Int)= 0.01323786 Iteration 43 RMS(Cart)= 0.00005930 RMS(Int)= 0.01310954 Iteration 44 RMS(Cart)= 0.00005814 RMS(Int)= 0.01298388 Iteration 45 RMS(Cart)= 0.00005702 RMS(Int)= 0.01286081 Iteration 46 RMS(Cart)= 0.00005594 RMS(Int)= 0.01274024 Iteration 47 RMS(Cart)= 0.00005489 RMS(Int)= 0.01262209 Iteration 48 RMS(Cart)= 0.00005386 RMS(Int)= 0.01250629 Iteration 49 RMS(Cart)= 0.00005287 RMS(Int)= 0.01239276 Iteration 50 RMS(Cart)= 0.00005191 RMS(Int)= 0.01228143 Iteration 51 RMS(Cart)= 0.00005097 RMS(Int)= 0.01217224 Iteration 52 RMS(Cart)= 0.00005006 RMS(Int)= 0.01206512 Iteration 53 RMS(Cart)= 0.00004918 RMS(Int)= 0.01196002 Iteration 54 RMS(Cart)= 0.00004832 RMS(Int)= 0.01185687 Iteration 55 RMS(Cart)= 0.00004748 RMS(Int)= 0.01175562 Iteration 56 RMS(Cart)= 0.00004666 RMS(Int)= 0.01165621 Iteration 57 RMS(Cart)= 0.00004587 RMS(Int)= 0.01155860 Iteration 58 RMS(Cart)= 0.00004510 RMS(Int)= 0.01146273 Iteration 59 RMS(Cart)= 0.00004435 RMS(Int)= 0.01136856 Iteration 60 RMS(Cart)= 0.00004361 RMS(Int)= 0.01127604 Iteration 61 RMS(Cart)= 0.00004290 RMS(Int)= 0.01118513 Iteration 62 RMS(Cart)= 0.00004220 RMS(Int)= 0.01109578 Iteration 63 RMS(Cart)= 0.00004152 RMS(Int)= 0.01100796 Iteration 64 RMS(Cart)= 0.00004086 RMS(Int)= 0.01092162 Iteration 65 RMS(Cart)= 0.00004022 RMS(Int)= 0.01083672 Iteration 66 RMS(Cart)= 0.00003958 RMS(Int)= 0.01075324 Iteration 67 RMS(Cart)= 0.00003897 RMS(Int)= 0.01067113 Iteration 68 RMS(Cart)= 0.00003837 RMS(Int)= 0.01059036 Iteration 69 RMS(Cart)= 0.00003778 RMS(Int)= 0.01051089 Iteration 70 RMS(Cart)= 0.00003721 RMS(Int)= 0.01043270 Iteration 71 RMS(Cart)= 0.00003665 RMS(Int)= 0.01035576 Iteration 72 RMS(Cart)= 0.00003610 RMS(Int)= 0.01028003 Iteration 73 RMS(Cart)= 0.00003557 RMS(Int)= 0.01020548 Iteration 74 RMS(Cart)= 0.00003505 RMS(Int)= 0.01013209 Iteration 75 RMS(Cart)= 0.00003454 RMS(Int)= 0.01005984 Iteration 76 RMS(Cart)= 0.00003404 RMS(Int)= 0.00998868 Iteration 77 RMS(Cart)= 0.00003355 RMS(Int)= 0.00991861 Iteration 78 RMS(Cart)= 0.00003307 RMS(Int)= 0.00984959 Iteration 79 RMS(Cart)= 0.00003260 RMS(Int)= 0.00978160 Iteration 80 RMS(Cart)= 0.00003215 RMS(Int)= 0.00971462 Iteration 81 RMS(Cart)= 0.00003170 RMS(Int)= 0.00964863 Iteration 82 RMS(Cart)= 0.00003126 RMS(Int)= 0.00958359 Iteration 83 RMS(Cart)= 0.00003083 RMS(Int)= 0.00951950 Iteration 84 RMS(Cart)= 0.00003041 RMS(Int)= 0.00945634 Iteration 85 RMS(Cart)= 0.00003000 RMS(Int)= 0.00939407 Iteration 86 RMS(Cart)= 0.00002960 RMS(Int)= 0.00933269 Iteration 87 RMS(Cart)= 0.00002920 RMS(Int)= 0.00927218 Iteration 88 RMS(Cart)= 0.00002882 RMS(Int)= 0.00921251 Iteration 89 RMS(Cart)= 0.00002844 RMS(Int)= 0.00915366 Iteration 90 RMS(Cart)= 0.00002807 RMS(Int)= 0.00909563 Iteration 91 RMS(Cart)= 0.00002770 RMS(Int)= 0.00903840 Iteration 92 RMS(Cart)= 0.00002734 RMS(Int)= 0.00898194 Iteration 93 RMS(Cart)= 0.00002699 RMS(Int)= 0.00892625 Iteration 94 RMS(Cart)= 0.00002665 RMS(Int)= 0.00887131 Iteration 95 RMS(Cart)= 0.00002632 RMS(Int)= 0.00881709 Iteration 96 RMS(Cart)= 0.00002598 RMS(Int)= 0.00876360 Iteration 97 RMS(Cart)= 0.00002566 RMS(Int)= 0.00871081 Iteration 98 RMS(Cart)= 0.00002534 RMS(Int)= 0.00865871 Iteration 99 RMS(Cart)= 0.00002503 RMS(Int)= 0.00860729 Iteration100 RMS(Cart)= 0.00002473 RMS(Int)= 0.00855654 New curvilinear step not converged. Iteration 1 RMS(Cart)= 0.00092003 RMS(Int)= 0.02057583 Iteration 2 RMS(Cart)= 0.00044279 RMS(Int)= 0.01949406 Iteration 3 RMS(Cart)= 0.00040519 RMS(Int)= 0.01851852 Iteration 4 RMS(Cart)= 0.00037170 RMS(Int)= 0.01763515 Iteration 5 RMS(Cart)= 0.00034178 RMS(Int)= 0.01683221 Iteration 6 RMS(Cart)= 0.00031495 RMS(Int)= 0.01609989 Iteration 7 RMS(Cart)= 0.00029082 RMS(Int)= 0.01542994 Iteration 8 RMS(Cart)= 0.00026902 RMS(Int)= 0.01481538 Iteration 9 RMS(Cart)= 0.00024925 RMS(Int)= 0.01425027 Iteration 10 RMS(Cart)= 0.00023126 RMS(Int)= 0.01372958 Iteration 11 RMS(Cart)= 0.00021482 RMS(Int)= 0.01324896 Iteration 12 RMS(Cart)= 0.00019973 RMS(Int)= 0.01280470 Iteration 13 RMS(Cart)= 0.00018581 RMS(Int)= 0.01239360 Iteration 14 RMS(Cart)= 0.00017292 RMS(Int)= 0.01201292 Iteration 15 RMS(Cart)= 0.00016093 RMS(Int)= 0.01166027 Iteration 16 RMS(Cart)= 0.00014972 RMS(Int)= 0.01133359 Iteration 17 RMS(Cart)= 0.00013919 RMS(Int)= 0.01103108 Iteration 18 RMS(Cart)= 0.00012927 RMS(Int)= 0.01075119 Iteration 19 RMS(Cart)= 0.00011990 RMS(Int)= 0.01049248 Iteration 20 RMS(Cart)= 0.00011104 RMS(Int)= 0.01025368 Iteration 21 RMS(Cart)= 0.00010267 RMS(Int)= 0.01003354 Iteration 22 RMS(Cart)= 0.00009480 RMS(Int)= 0.00983086 Iteration 23 RMS(Cart)= 0.00008743 RMS(Int)= 0.00964441 Iteration 24 RMS(Cart)= 0.00008060 RMS(Int)= 0.00947296 Iteration 25 RMS(Cart)= 0.00007432 RMS(Int)= 0.00931523 Iteration 26 RMS(Cart)= 0.00006860 RMS(Int)= 0.00916995 Iteration 27 RMS(Cart)= 0.00006344 RMS(Int)= 0.00903586 Iteration 28 RMS(Cart)= 0.00005882 RMS(Int)= 0.00891176 Iteration 29 RMS(Cart)= 0.00005471 RMS(Int)= 0.00879653 Iteration 30 RMS(Cart)= 0.00005106 RMS(Int)= 0.00868914 Iteration 31 RMS(Cart)= 0.00004784 RMS(Int)= 0.00858869 Iteration 32 RMS(Cart)= 0.00004498 RMS(Int)= 0.00849436 Iteration 33 RMS(Cart)= 0.00004245 RMS(Int)= 0.00840545 Iteration 34 RMS(Cart)= 0.00004021 RMS(Int)= 0.00832134 Iteration 35 RMS(Cart)= 0.00003821 RMS(Int)= 0.00824151 Iteration 36 RMS(Cart)= 0.00003642 RMS(Int)= 0.00816550 Iteration 37 RMS(Cart)= 0.00003482 RMS(Int)= 0.00809291 Iteration 38 RMS(Cart)= 0.00003337 RMS(Int)= 0.00802340 Iteration 39 RMS(Cart)= 0.00003207 RMS(Int)= 0.00795668 Iteration 40 RMS(Cart)= 0.00003088 RMS(Int)= 0.00789250 Iteration 41 RMS(Cart)= 0.00002979 RMS(Int)= 0.00783063 Iteration 42 RMS(Cart)= 0.00002880 RMS(Int)= 0.00777087 Iteration 43 RMS(Cart)= 0.00002788 RMS(Int)= 0.00771306 Iteration 44 RMS(Cart)= 0.00002704 RMS(Int)= 0.00765705 Iteration 45 RMS(Cart)= 0.00002626 RMS(Int)= 0.00760269 Iteration 46 RMS(Cart)= 0.00002553 RMS(Int)= 0.00754988 Iteration 47 RMS(Cart)= 0.00002486 RMS(Int)= 0.00749851 Iteration 48 RMS(Cart)= 0.00002422 RMS(Int)= 0.00744849 Iteration 49 RMS(Cart)= 0.00002363 RMS(Int)= 0.00739972 Iteration 50 RMS(Cart)= 0.00002308 RMS(Int)= 0.00735214 Iteration 51 RMS(Cart)= 0.00002255 RMS(Int)= 0.00730567 Iteration 52 RMS(Cart)= 0.00002206 RMS(Int)= 0.00726026 Iteration 53 RMS(Cart)= 0.00002159 RMS(Int)= 0.00721584 Iteration 54 RMS(Cart)= 0.00002114 RMS(Int)= 0.00717236 Iteration 55 RMS(Cart)= 0.00002072 RMS(Int)= 0.00712978 Iteration 56 RMS(Cart)= 0.00002032 RMS(Int)= 0.00708805 Iteration 57 RMS(Cart)= 0.00001994 RMS(Int)= 0.00704713 Iteration 58 RMS(Cart)= 0.00001957 RMS(Int)= 0.00700699 Iteration 59 RMS(Cart)= 0.00001922 RMS(Int)= 0.00696759 Iteration 60 RMS(Cart)= 0.00001889 RMS(Int)= 0.00692890 Iteration 61 RMS(Cart)= 0.00001857 RMS(Int)= 0.00689089 Iteration 62 RMS(Cart)= 0.00001826 RMS(Int)= 0.00685353 Iteration 63 RMS(Cart)= 0.00001797 RMS(Int)= 0.00681680 Iteration 64 RMS(Cart)= 0.00001768 RMS(Int)= 0.00678067 Iteration 65 RMS(Cart)= 0.00001741 RMS(Int)= 0.00674512 Iteration 66 RMS(Cart)= 0.00001714 RMS(Int)= 0.00671013 Iteration 67 RMS(Cart)= 0.00001689 RMS(Int)= 0.00667568 Iteration 68 RMS(Cart)= 0.00001664 RMS(Int)= 0.00664176 Iteration 69 RMS(Cart)= 0.00001640 RMS(Int)= 0.00660834 Iteration 70 RMS(Cart)= 0.00001617 RMS(Int)= 0.00657540 Iteration 71 RMS(Cart)= 0.00001595 RMS(Int)= 0.00654294 Iteration 72 RMS(Cart)= 0.00001573 RMS(Int)= 0.00651094 Iteration 73 RMS(Cart)= 0.00001553 RMS(Int)= 0.00647938 Iteration 74 RMS(Cart)= 0.00001532 RMS(Int)= 0.00644825 Iteration 75 RMS(Cart)= 0.00001512 RMS(Int)= 0.00641754 Iteration 76 RMS(Cart)= 0.00001493 RMS(Int)= 0.00638724 Iteration 77 RMS(Cart)= 0.00001475 RMS(Int)= 0.00635733 Iteration 78 RMS(Cart)= 0.00001456 RMS(Int)= 0.00632780 Iteration 79 RMS(Cart)= 0.00001439 RMS(Int)= 0.00629865 Iteration 80 RMS(Cart)= 0.00001422 RMS(Int)= 0.00626987 Iteration 81 RMS(Cart)= 0.00001405 RMS(Int)= 0.00624144 Iteration 82 RMS(Cart)= 0.00001388 RMS(Int)= 0.00621335 Iteration 83 RMS(Cart)= 0.00001373 RMS(Int)= 0.00618560 Iteration 84 RMS(Cart)= 0.00001357 RMS(Int)= 0.00615818 Iteration 85 RMS(Cart)= 0.00001342 RMS(Int)= 0.00613108 Iteration 86 RMS(Cart)= 0.00001327 RMS(Int)= 0.00610430 Iteration 87 RMS(Cart)= 0.00001313 RMS(Int)= 0.00607782 Iteration 88 RMS(Cart)= 0.00001298 RMS(Int)= 0.00605164 Iteration 89 RMS(Cart)= 0.00001285 RMS(Int)= 0.00602576 Iteration 90 RMS(Cart)= 0.00001271 RMS(Int)= 0.00600016 Iteration 91 RMS(Cart)= 0.00001258 RMS(Int)= 0.00597484 Iteration 92 RMS(Cart)= 0.00001245 RMS(Int)= 0.00594979 Iteration 93 RMS(Cart)= 0.00001232 RMS(Int)= 0.00592501 Iteration 94 RMS(Cart)= 0.00001220 RMS(Int)= 0.00590050 Iteration 95 RMS(Cart)= 0.00001207 RMS(Int)= 0.00587624 Iteration 96 RMS(Cart)= 0.00001196 RMS(Int)= 0.00585224 Iteration 97 RMS(Cart)= 0.00001184 RMS(Int)= 0.00582848 Iteration 98 RMS(Cart)= 0.00001172 RMS(Int)= 0.00580496 Iteration 99 RMS(Cart)= 0.00001161 RMS(Int)= 0.00578168 Iteration100 RMS(Cart)= 0.00001150 RMS(Int)= 0.00575864 New curvilinear step not converged. Iteration 1 RMS(Cart)= 0.00081780 RMS(Int)= 0.01829681 Iteration 2 RMS(Cart)= 0.00077094 RMS(Int)= 0.01638480 Iteration 3 RMS(Cart)= 0.00087789 RMS(Int)= 0.01425348 Iteration 4 RMS(Cart)= 0.00104162 RMS(Int)= 0.01177835 Iteration 5 RMS(Cart)= 0.00123048 RMS(Int)= 0.00892806 Iteration 6 RMS(Cart)= 0.00138025 RMS(Int)= 0.00585931 Iteration 7 RMS(Cart)= 0.00146776 RMS(Int)= 0.00292092 Iteration 8 RMS(Cart)= 0.00134487 RMS(Int)= 0.00138924 Iteration 9 RMS(Cart)= 0.00011639 RMS(Int)= 0.00130705 Iteration 10 RMS(Cart)= 0.00001081 RMS(Int)= 0.00130690 Iteration 11 RMS(Cart)= 0.00000006 RMS(Int)= 0.00130690 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 4.68759 -0.00002 0.00000 -0.00045 -0.00085 4.68674 R2 4.74840 0.00000 0.00000 -0.00124 -0.00040 4.74800 R3 4.68464 0.00001 0.00000 0.00087 0.00129 4.68592 R4 4.68721 0.00000 0.00000 0.00064 -0.00071 4.68650 R5 4.76876 -0.00001 0.00000 0.00009 0.00169 4.77045 R6 4.74521 0.00001 0.00000 0.00054 -0.00097 4.74424 R7 4.68606 -0.00001 0.00000 -0.00028 -0.00010 4.68597 R8 4.74544 0.00002 0.00000 0.00221 0.00242 4.74786 R9 4.77523 -0.00003 0.00000 -0.00358 -0.00612 4.76911 R10 4.68765 0.00000 0.00000 -0.00036 0.00011 4.68776 R11 6.86561 -0.00002 0.00000 0.02478 0.02268 6.88829 R12 4.76921 0.00000 0.00000 0.00083 0.00048 4.76969 R13 3.62432 -0.00001 0.00000 -0.00068 -0.00249 3.62183 R14 4.68960 -0.00004 0.00000 -0.00226 -0.00172 4.68788 R15 6.87825 0.00000 0.00000 0.02001 0.01528 6.89353 R16 8.24879 -0.00002 0.00000 0.01954 0.01614 8.26493 R17 2.21061 0.00000 0.00000 -0.00004 -0.00003 2.21058 A1 1.97105 0.00001 0.00000 0.00106 0.00049 1.97154 A2 1.95842 0.00000 0.00000 -0.00118 -0.00127 1.95715 A3 1.97326 -0.00001 0.00000 -0.00039 0.00033 1.97359 A4 1.05463 0.00000 0.00000 -0.00006 -0.00003 1.05459 A5 1.11191 0.00000 0.00000 0.00021 -0.00010 1.11180 A6 1.11196 -0.00001 0.00000 0.00027 0.00070 1.11266 A7 1.97220 0.00000 0.00000 0.00014 0.00062 1.97282 A8 1.95698 0.00001 0.00000 -0.00057 -0.00090 1.95608 A9 1.97340 0.00000 0.00000 -0.00001 0.00013 1.97353 A10 1.04008 -0.00001 0.00000 0.00005 -0.00006 1.04002 A11 1.03959 0.00001 0.00000 0.00037 -0.00020 1.03939 A12 1.04043 0.00000 0.00000 -0.00044 -0.00031 1.04012 A13 1.11142 0.00000 0.00000 0.00053 0.00067 1.11209 A14 1.05447 0.00001 0.00000 0.00044 -0.00013 1.05433 A15 1.56191 0.00000 0.00000 -0.00766 -0.00753 1.55438 A16 1.11317 0.00000 0.00000 -0.00063 -0.00073 1.11243 A17 1.90587 0.00000 0.00000 0.00005 0.00024 1.90611 A18 1.90659 0.00000 0.00000 -0.00070 -0.00173 1.90486 A19 1.93898 -0.00001 0.00000 -0.02054 -0.02015 1.91882 A20 1.90412 0.00000 0.00000 0.00127 0.00218 1.90629 A21 1.11205 -0.00001 0.00000 0.00029 0.00078 1.11283 A22 1.05451 0.00001 0.00000 0.00020 0.00009 1.05460 A23 1.56159 -0.00001 0.00000 -0.00750 -0.00694 1.55465 A24 1.11373 0.00000 0.00000 -0.00098 -0.00139 1.11234 A25 1.97325 -0.00002 0.00000 -0.00111 -0.00020 1.97304 A26 1.97220 0.00000 0.00000 0.00009 -0.00044 1.97175 A27 2.20296 -0.00001 0.00000 -0.00761 -0.00715 2.19581 A28 1.95512 0.00000 0.00000 0.00131 0.00105 1.95617 A29 1.20258 0.00000 0.00000 -0.00425 -0.00353 1.19905 A30 2.41447 0.00001 0.00000 0.02101 0.01589 2.43037 A31 0.34932 0.00000 0.00000 -0.01180 -0.01187 0.33746 A32 3.12026 0.00000 0.00000 0.02654 0.01913 3.13939 A33 2.41516 0.00000 0.00000 0.01946 0.01557 2.43073 A34 2.77110 0.00000 0.00000 0.03844 0.03089 2.80198 A35 1.57364 0.00000 0.00000 -0.00821 -0.00797 1.56567 A36 3.57289 -0.00001 0.00000 -0.00770 -0.00682 3.56607 A37 1.57376 -0.00001 0.00000 -0.00821 -0.00762 1.56614 A38 2.33874 -0.00001 0.00000 -0.00654 -0.00562 2.33312 A39 3.36689 -0.00001 0.00000 -0.00471 -0.00374 3.36315 A40 4.92156 0.00003 0.00000 0.03607 0.03657 4.95813 A41 2.91207 0.00000 0.00000 0.00615 0.00597 2.91804 A42 3.64590 -0.00001 0.00000 0.00411 0.00474 3.65064 D1 -0.51264 0.00000 0.00000 0.00094 0.00103 -0.51161 D2 -1.79168 0.00001 0.00000 0.00068 0.00013 -1.79154 D3 1.74244 -0.00001 0.00000 0.00028 0.00080 1.74324 D4 0.46340 0.00000 0.00000 0.00003 -0.00010 0.46331 D5 0.51045 0.00000 0.00000 -0.00096 -0.00099 0.50946 D6 1.73916 -0.00001 0.00000 -0.00168 -0.00126 1.73789 D7 -1.73699 0.00001 0.00000 0.00010 0.00007 -1.73692 D8 -0.50828 0.00000 0.00000 -0.00062 -0.00021 -0.50849 D9 -0.46285 0.00000 0.00000 -0.00033 -0.00053 -0.46338 D10 -1.74361 0.00001 0.00000 0.00081 0.00061 -1.74300 D11 -0.18685 0.00001 0.00000 0.00497 0.00412 -0.18273 D12 1.79108 0.00000 0.00000 -0.00023 -0.00068 1.79040 D13 0.51033 0.00000 0.00000 0.00091 0.00046 0.51078 D14 2.06708 0.00000 0.00000 0.00507 0.00397 2.07105 D15 -1.66601 -0.00001 0.00000 -0.00448 -0.00433 -1.67034 D16 1.56594 -0.00003 0.00000 -0.11147 -0.08535 1.48059 D17 0.01239 0.00001 0.00000 -0.01062 -0.01076 0.00163 D18 -3.03885 -0.00002 0.00000 -0.11760 -0.09178 -3.13063 D19 0.51329 -0.00001 0.00000 -0.00137 -0.00093 0.51236 D20 -1.74172 -0.00001 0.00000 -0.00098 -0.00086 -1.74259 D21 1.79224 0.00000 0.00000 -0.00122 -0.00136 1.79089 D22 -0.46277 0.00000 0.00000 -0.00083 -0.00129 -0.46406 D23 -0.44437 0.00000 0.00000 -0.00071 -0.00093 -0.44530 D24 1.63676 0.00000 0.00000 0.00044 0.00082 1.63758 D25 -2.54049 0.00000 0.00000 -0.00265 -0.00412 -2.54461 D26 -1.63622 0.00000 0.00000 -0.00048 -0.00070 -1.63691 D27 0.44492 0.00000 0.00000 0.00067 0.00106 0.44598 D28 2.55085 0.00000 0.00000 -0.00242 -0.00388 2.54697 D29 0.52821 0.00001 0.00000 -0.00027 -0.00045 0.52777 D30 -2.61355 0.00000 0.00000 -0.00140 -0.00047 -2.61401 D31 -0.52680 0.00000 0.00000 0.00001 -0.00023 -0.52704 D32 2.61462 0.00000 0.00000 -0.00111 -0.00025 2.61437 D33 -0.51077 0.00001 0.00000 0.00130 0.00097 -0.50980 D34 -1.73809 -0.00001 0.00000 0.00068 0.00107 -1.73702 D35 1.73579 0.00002 0.00000 0.00062 0.00038 1.73618 D36 0.50848 0.00000 0.00000 0.00000 0.00048 0.50895 D37 0.46271 0.00000 0.00000 0.00074 0.00139 0.46410 D38 1.74384 0.00000 0.00000 -0.00063 -0.00065 1.74319 D39 0.19028 0.00000 0.00000 -0.00616 -0.00592 0.18436 D40 -1.79168 0.00000 0.00000 0.00106 0.00120 -1.79048 D41 -0.51055 0.00000 0.00000 -0.00032 -0.00084 -0.51139 D42 -2.06411 -0.00001 0.00000 -0.00585 -0.00611 -2.07022 D43 1.66982 0.00000 0.00000 0.00298 0.00254 1.67236 D44 -1.56252 0.00002 0.00000 0.10806 0.08361 -1.47891 D45 -0.01042 0.00000 0.00000 0.01035 0.00925 -0.00117 D46 3.04042 0.00002 0.00000 0.11544 0.09032 3.13074 D47 0.50792 0.00000 0.00000 0.00060 0.00022 0.50814 D48 -1.73590 0.00001 0.00000 -0.00034 -0.00067 -1.73657 D49 -0.61263 0.00001 0.00000 -0.00014 -0.00127 -0.61391 D50 1.73605 -0.00001 0.00000 0.00068 0.00036 1.73641 D51 -0.50777 0.00000 0.00000 -0.00025 -0.00053 -0.50830 D52 0.61550 0.00000 0.00000 -0.00005 -0.00113 0.61436 D53 -1.22924 0.00000 0.00000 -0.08330 -0.06772 -1.29696 D54 2.08692 0.00002 0.00000 -0.00016 -0.00155 2.08537 D55 0.85077 -0.00001 0.00000 -0.06965 -0.05449 0.79628 D56 -2.11626 0.00001 0.00000 0.01349 0.01169 -2.10457 D57 0.44479 0.00000 0.00000 0.00050 0.00053 0.44532 D58 -1.63788 -0.00001 0.00000 0.00057 0.00120 -1.63668 D59 1.63620 0.00001 0.00000 0.00104 0.00040 1.63661 D60 -0.44646 0.00001 0.00000 0.00111 0.00107 -0.44539 D61 -0.51067 0.00000 0.00000 -0.00034 0.00000 -0.51067 D62 1.74195 -0.00001 0.00000 -0.00002 0.00013 1.74208 D63 -1.78855 0.00000 0.00000 -0.00110 -0.00118 -1.78973 D64 0.46407 0.00000 0.00000 -0.00079 -0.00105 0.46302 D65 -1.17071 -0.00001 0.00000 -0.00613 -0.00541 -1.17613 D66 2.66004 -0.00001 0.00000 -0.04929 -0.04040 2.61963 D67 -0.44501 0.00000 0.00000 -0.00076 -0.00098 -0.44599 D68 -1.63609 -0.00001 0.00000 -0.00123 -0.00128 -1.63737 D69 1.63721 0.00000 0.00000 -0.00037 -0.00042 1.63678 D70 0.44613 -0.00001 0.00000 -0.00084 -0.00073 0.44540 D71 3.13211 0.00002 0.00000 0.00493 0.00809 3.14020 D72 -3.02672 -0.00002 0.00000 0.12129 0.09733 -2.92939 D73 0.51024 0.00000 0.00000 0.00014 0.00030 0.51054 D74 -1.74293 0.00002 0.00000 0.00046 0.00005 -1.74288 D75 1.78861 -0.00001 0.00000 0.00086 0.00183 1.79044 D76 -0.46456 0.00001 0.00000 0.00117 0.00158 -0.46298 D77 1.17072 0.00000 0.00000 0.00596 0.00568 1.17640 D78 -2.66067 0.00001 0.00000 0.05059 0.04098 -2.61968 D79 -0.00895 0.00000 0.00000 0.00385 0.00742 -0.00152 D80 3.13995 0.00000 0.00000 0.00228 0.00152 3.14147 Item Value Threshold Converged? 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Job cpu time: 0 days 0 hours 26 minutes 55.4 seconds. File lengths (MBytes): RWF= 95 Int= 0 D2E= 0 Chk= 16 Scr= 1 Normal termination of Gaussian 03 at Fri Apr 11 14:52:19 2008.