Entering Gaussian System, Link 0=g09 Input=Si2H6.inp Output=Si2H6.out Initial command: /share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42958/Gau-113849.inp" -scrdir="/mnt/beegfs/tmpdir/42958/" Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 113850. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), 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 09, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, 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, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. ****************************************** Gaussian 09: ES64L-G09RevD.01 24-Apr-2013 4-Apr-2019 ****************************************** %nproc=24 Will use up to 24 processors via shared memory. %mem=100GB ----------------------------------------- #p ROCCSD(T) aug-cc-pVDZ pop=full gfprint ----------------------------------------- 1/38=1/1; 2/12=2,17=6,18=5,40=1/2; 3/5=16,7=10,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3; 4//1; 5/5=2,38=5/2; 8/5=-1,6=4,9=120000,10=1/1,4; 9/5=7,14=2/13; 6/7=3/1; 99/5=1,9=1/99; Leave Link 1 at Thu Apr 4 19:35:19 2019, MaxMem= 13421772800 cpu: 1.5 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe) -- G2 -- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 Si Si 1 R H 1 SIH 2 SICC H 1 SIH 2 SICC 3 120. 0 H 1 SIH 2 SICC 3 -120. 0 H 2 SIH 1 SICC 3 180. 0 H 2 SIH 1 SICC 6 120. 0 H 2 SIH 1 SICC 6 -120. 0 Variables: SICC 110.49912 SIH 1.48549 R 2.35422 NAtoms= 8 NQM= 8 NQMF= 0 NMMI= 0 NMMIF= 0 NMic= 0 NMicF= 0. 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 IAtWgt= 28 28 1 1 1 1 1 1 AtmWgt= 27.9769284 27.9769284 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 NucSpn= 0 0 1 1 1 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 AtZNuc= 14.0000000 14.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 Leave Link 101 at Thu Apr 4 19:35:19 2019, MaxMem= 13421772800 cpu: 1.3 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 14 0 0.000000 0.000000 0.000000 2 14 0 0.000000 0.000000 2.354217 3 1 0 1.391424 0.000000 -0.520208 4 1 0 -0.695712 -1.205009 -0.520208 5 1 0 -0.695712 1.205009 -0.520208 6 1 0 -1.391424 0.000000 2.874425 7 1 0 0.695712 -1.205009 2.874425 8 1 0 0.695712 1.205009 2.874425 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Si 0.000000 2 Si 2.354217 0.000000 3 H 1.485489 3.193491 0.000000 4 H 1.485489 3.193491 2.410017 0.000000 5 H 1.485489 3.193491 2.410017 2.410017 0.000000 6 H 3.193491 1.485489 4.389508 3.668732 3.668732 7 H 3.193491 1.485489 3.668732 3.668732 4.389508 8 H 3.193491 1.485489 3.668732 4.389508 3.668732 6 7 8 6 H 0.000000 7 H 2.410017 0.000000 8 H 2.410017 2.410017 0.000000 Stoichiometry H6Si2 Framework group D3D[C3(Si.Si),3SGD(H2)] Deg. of freedom 3 Full point group D3D NOp 12 Largest Abelian subgroup C2H NOp 4 Largest concise Abelian subgroup C2H NOp 4 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 14 0 0.000000 0.000000 1.177109 2 14 0 0.000000 0.000000 -1.177109 3 1 0 0.000000 1.391424 1.697317 4 1 0 -1.205009 -0.695712 1.697317 5 1 0 1.205009 -0.695712 1.697317 6 1 0 0.000000 -1.391424 -1.697317 7 1 0 -1.205009 0.695712 -1.697317 8 1 0 1.205009 0.695712 -1.697317 --------------------------------------------------------------------- Rotational constants (GHZ): 43.1679761 5.0135307 5.0135307 Leave Link 202 at Thu Apr 4 19:35:19 2019, MaxMem= 13421772800 cpu: 0.4 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe) Standard basis: Aug-CC-pVDZ (5D, 7F) Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F. Ernie: 20 primitive shells out of 148 were deleted. AO basis set (Overlap normalization): Atom Si1 Shell 1 S 9 bf 1 - 1 0.000000000000 0.000000000000 2.224413109432 0.7886000000D+05 0.2702091351D-03 0.1182000000D+05 0.2095396936D-02 0.2692000000D+04 0.1084122576D-01 0.7634000000D+03 0.4363783127D-01 0.2496000000D+03 0.1375247993D+00 0.9028000000D+02 0.3163244534D+00 0.3529000000D+02 0.4179629285D+00 0.1451000000D+02 0.2098882371D+00 0.4053000000D+01 0.1615411384D-01 Atom Si1 Shell 2 S 8 bf 2 - 2 0.000000000000 0.000000000000 2.224413109432 0.2692000000D+04 -0.6381459875D-04 0.7634000000D+03 -0.2017358541D-03 0.2496000000D+03 -0.3736158831D-02 0.9028000000D+02 -0.1629459583D-01 0.3529000000D+02 -0.8316291647D-01 0.1451000000D+02 -0.4542923975D-01 0.4053000000D+01 0.5166796286D+00 0.1482000000D+01 0.5842349871D+00 Atom Si1 Shell 3 S 8 bf 3 - 3 0.000000000000 0.000000000000 2.224413109432 0.2692000000D+04 -0.2564766326D-05 0.7634000000D+03 0.9059832756D-05 0.9028000000D+02 0.5287894452D-03 0.3529000000D+02 0.1972166806D-02 0.1451000000D+02 0.4312525404D-02 0.4053000000D+01 -0.6824649980D-01 0.1482000000D+01 -0.3481863201D+00 0.2517000000D+00 0.1169658641D+01 Atom Si1 Shell 4 S 1 bf 4 - 4 0.000000000000 0.000000000000 2.224413109432 0.9243000000D-01 0.1000000000D+01 Atom Si1 Shell 5 S 1 bf 5 - 5 0.000000000000 0.000000000000 2.224413109432 0.3320000000D-01 0.1000000000D+01 Atom Si1 Shell 6 P 6 bf 6 - 8 0.000000000000 0.000000000000 2.224413109432 0.3159000000D+03 0.3948866915D-02 0.7442000000D+02 0.3004244620D-01 0.2348000000D+02 0.1279721966D+00 0.8488000000D+01 0.3227405721D+00 0.3217000000D+01 0.4587505918D+00 0.1229000000D+01 0.2686619932D+00 Atom Si1 Shell 7 P 6 bf 9 - 11 0.000000000000 0.000000000000 2.224413109432 0.7442000000D+02 0.4294247736D-03 0.2348000000D+02 -0.1915009785D-02 0.8488000000D+01 0.1313176898D-02 0.3217000000D+01 -0.3749655624D-01 0.1229000000D+01 0.7285614267D-01 0.2964000000D+00 0.9672092266D+00 Atom Si1 Shell 8 P 1 bf 12 - 14 0.000000000000 0.000000000000 2.224413109432 0.8768000000D-01 0.1000000000D+01 Atom Si1 Shell 9 P 1 bf 15 - 17 0.000000000000 0.000000000000 2.224413109432 0.2500000000D-01 0.1000000000D+01 Atom Si1 Shell 10 D 1 bf 18 - 22 0.000000000000 0.000000000000 2.224413109432 0.2750000000D+00 0.1000000000D+01 Atom Si1 Shell 11 D 1 bf 23 - 27 0.000000000000 0.000000000000 2.224413109432 0.8230000000D-01 0.1000000000D+01 Atom Si2 Shell 12 S 9 bf 28 - 28 0.000000000000 0.000000000000 -2.224413109432 0.7886000000D+05 0.2702091351D-03 0.1182000000D+05 0.2095396936D-02 0.2692000000D+04 0.1084122576D-01 0.7634000000D+03 0.4363783127D-01 0.2496000000D+03 0.1375247993D+00 0.9028000000D+02 0.3163244534D+00 0.3529000000D+02 0.4179629285D+00 0.1451000000D+02 0.2098882371D+00 0.4053000000D+01 0.1615411384D-01 Atom Si2 Shell 13 S 8 bf 29 - 29 0.000000000000 0.000000000000 -2.224413109432 0.2692000000D+04 -0.6381459875D-04 0.7634000000D+03 -0.2017358541D-03 0.2496000000D+03 -0.3736158831D-02 0.9028000000D+02 -0.1629459583D-01 0.3529000000D+02 -0.8316291647D-01 0.1451000000D+02 -0.4542923975D-01 0.4053000000D+01 0.5166796286D+00 0.1482000000D+01 0.5842349871D+00 Atom Si2 Shell 14 S 8 bf 30 - 30 0.000000000000 0.000000000000 -2.224413109432 0.2692000000D+04 -0.2564766326D-05 0.7634000000D+03 0.9059832756D-05 0.9028000000D+02 0.5287894452D-03 0.3529000000D+02 0.1972166806D-02 0.1451000000D+02 0.4312525404D-02 0.4053000000D+01 -0.6824649980D-01 0.1482000000D+01 -0.3481863201D+00 0.2517000000D+00 0.1169658641D+01 Atom Si2 Shell 15 S 1 bf 31 - 31 0.000000000000 0.000000000000 -2.224413109432 0.9243000000D-01 0.1000000000D+01 Atom Si2 Shell 16 S 1 bf 32 - 32 0.000000000000 0.000000000000 -2.224413109432 0.3320000000D-01 0.1000000000D+01 Atom Si2 Shell 17 P 6 bf 33 - 35 0.000000000000 0.000000000000 -2.224413109432 0.3159000000D+03 0.3948866915D-02 0.7442000000D+02 0.3004244620D-01 0.2348000000D+02 0.1279721966D+00 0.8488000000D+01 0.3227405721D+00 0.3217000000D+01 0.4587505918D+00 0.1229000000D+01 0.2686619932D+00 Atom Si2 Shell 18 P 6 bf 36 - 38 0.000000000000 0.000000000000 -2.224413109432 0.7442000000D+02 0.4294247736D-03 0.2348000000D+02 -0.1915009785D-02 0.8488000000D+01 0.1313176898D-02 0.3217000000D+01 -0.3749655624D-01 0.1229000000D+01 0.7285614267D-01 0.2964000000D+00 0.9672092266D+00 Atom Si2 Shell 19 P 1 bf 39 - 41 0.000000000000 0.000000000000 -2.224413109432 0.8768000000D-01 0.1000000000D+01 Atom Si2 Shell 20 P 1 bf 42 - 44 0.000000000000 0.000000000000 -2.224413109432 0.2500000000D-01 0.1000000000D+01 Atom Si2 Shell 21 D 1 bf 45 - 49 0.000000000000 0.000000000000 -2.224413109432 0.2750000000D+00 0.1000000000D+01 Atom Si2 Shell 22 D 1 bf 50 - 54 0.000000000000 0.000000000000 -2.224413109432 0.8230000000D-01 0.1000000000D+01 Atom H3 Shell 23 S 3 bf 55 - 55 0.000000000000 2.629410702247 3.207463557531 0.1301000000D+02 0.3349872639D-01 0.1962000000D+01 0.2348008012D+00 0.4446000000D+00 0.8136829579D+00 Atom H3 Shell 24 S 1 bf 56 - 56 0.000000000000 2.629410702247 3.207463557531 0.1220000000D+00 0.1000000000D+01 Atom H3 Shell 25 S 1 bf 57 - 57 0.000000000000 2.629410702247 3.207463557531 0.2974000000D-01 0.1000000000D+01 Atom H3 Shell 26 P 1 bf 58 - 60 0.000000000000 2.629410702247 3.207463557531 0.7270000000D+00 0.1000000000D+01 Atom H3 Shell 27 P 1 bf 61 - 63 0.000000000000 2.629410702247 3.207463557531 0.1410000000D+00 0.1000000000D+01 Atom H4 Shell 28 S 3 bf 64 - 64 -2.277136465129 -1.314705351124 3.207463557531 0.1301000000D+02 0.3349872639D-01 0.1962000000D+01 0.2348008012D+00 0.4446000000D+00 0.8136829579D+00 Atom H4 Shell 29 S 1 bf 65 - 65 -2.277136465129 -1.314705351124 3.207463557531 0.1220000000D+00 0.1000000000D+01 Atom H4 Shell 30 S 1 bf 66 - 66 -2.277136465129 -1.314705351124 3.207463557531 0.2974000000D-01 0.1000000000D+01 Atom H4 Shell 31 P 1 bf 67 - 69 -2.277136465129 -1.314705351124 3.207463557531 0.7270000000D+00 0.1000000000D+01 Atom H4 Shell 32 P 1 bf 70 - 72 -2.277136465129 -1.314705351124 3.207463557531 0.1410000000D+00 0.1000000000D+01 Atom H5 Shell 33 S 3 bf 73 - 73 2.277136465129 -1.314705351124 3.207463557531 0.1301000000D+02 0.3349872639D-01 0.1962000000D+01 0.2348008012D+00 0.4446000000D+00 0.8136829579D+00 Atom H5 Shell 34 S 1 bf 74 - 74 2.277136465129 -1.314705351124 3.207463557531 0.1220000000D+00 0.1000000000D+01 Atom H5 Shell 35 S 1 bf 75 - 75 2.277136465129 -1.314705351124 3.207463557531 0.2974000000D-01 0.1000000000D+01 Atom H5 Shell 36 P 1 bf 76 - 78 2.277136465129 -1.314705351124 3.207463557531 0.7270000000D+00 0.1000000000D+01 Atom H5 Shell 37 P 1 bf 79 - 81 2.277136465129 -1.314705351124 3.207463557531 0.1410000000D+00 0.1000000000D+01 Atom H6 Shell 38 S 3 bf 82 - 82 0.000000000000 -2.629410702247 -3.207463557531 0.1301000000D+02 0.3349872639D-01 0.1962000000D+01 0.2348008012D+00 0.4446000000D+00 0.8136829579D+00 Atom H6 Shell 39 S 1 bf 83 - 83 0.000000000000 -2.629410702247 -3.207463557531 0.1220000000D+00 0.1000000000D+01 Atom H6 Shell 40 S 1 bf 84 - 84 0.000000000000 -2.629410702247 -3.207463557531 0.2974000000D-01 0.1000000000D+01 Atom H6 Shell 41 P 1 bf 85 - 87 0.000000000000 -2.629410702247 -3.207463557531 0.7270000000D+00 0.1000000000D+01 Atom H6 Shell 42 P 1 bf 88 - 90 0.000000000000 -2.629410702247 -3.207463557531 0.1410000000D+00 0.1000000000D+01 Atom H7 Shell 43 S 3 bf 91 - 91 -2.277136465129 1.314705351124 -3.207463557531 0.1301000000D+02 0.3349872639D-01 0.1962000000D+01 0.2348008012D+00 0.4446000000D+00 0.8136829579D+00 Atom H7 Shell 44 S 1 bf 92 - 92 -2.277136465129 1.314705351124 -3.207463557531 0.1220000000D+00 0.1000000000D+01 Atom H7 Shell 45 S 1 bf 93 - 93 -2.277136465129 1.314705351124 -3.207463557531 0.2974000000D-01 0.1000000000D+01 Atom H7 Shell 46 P 1 bf 94 - 96 -2.277136465129 1.314705351124 -3.207463557531 0.7270000000D+00 0.1000000000D+01 Atom H7 Shell 47 P 1 bf 97 - 99 -2.277136465129 1.314705351124 -3.207463557531 0.1410000000D+00 0.1000000000D+01 Atom H8 Shell 48 S 3 bf 100 - 100 2.277136465129 1.314705351124 -3.207463557531 0.1301000000D+02 0.3349872639D-01 0.1962000000D+01 0.2348008012D+00 0.4446000000D+00 0.8136829579D+00 Atom H8 Shell 49 S 1 bf 101 - 101 2.277136465129 1.314705351124 -3.207463557531 0.1220000000D+00 0.1000000000D+01 Atom H8 Shell 50 S 1 bf 102 - 102 2.277136465129 1.314705351124 -3.207463557531 0.2974000000D-01 0.1000000000D+01 Atom H8 Shell 51 P 1 bf 103 - 105 2.277136465129 1.314705351124 -3.207463557531 0.7270000000D+00 0.1000000000D+01 Atom H8 Shell 52 P 1 bf 106 - 108 2.277136465129 1.314705351124 -3.207463557531 0.1410000000D+00 0.1000000000D+01 There are 37 symmetry adapted cartesian basis functions of AG symmetry. There are 19 symmetry adapted cartesian basis functions of BG symmetry. There are 19 symmetry adapted cartesian basis functions of AU symmetry. There are 37 symmetry adapted cartesian basis functions of BU symmetry. There are 35 symmetry adapted basis functions of AG symmetry. There are 19 symmetry adapted basis functions of BG symmetry. There are 19 symmetry adapted basis functions of AU symmetry. There are 35 symmetry adapted basis functions of BU symmetry. 108 basis functions, 228 primitive gaussians, 112 cartesian basis functions 17 alpha electrons 17 beta electrons nuclear repulsion energy 90.4437310430 Hartrees. IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 NAtoms= 8 NActive= 8 NUniq= 2 SFac= 4.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. Leave Link 301 at Thu Apr 4 19:35:19 2019, MaxMem= 13421772800 cpu: 1.1 (Enter /share/apps/gaussian/g09d01/nehalem/g09/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. One-electron integral symmetry used in STVInt NBasis= 108 RedAO= T EigKep= 2.22D-04 NBF= 35 19 19 35 NBsUse= 108 1.00D-06 EigRej= -1.00D+00 NBFU= 35 19 19 35 Leave Link 302 at Thu Apr 4 19:35:20 2019, MaxMem= 13421772800 cpu: 4.0 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Thu Apr 4 19:35:20 2019, MaxMem= 13421772800 cpu: 0.8 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe) ExpMin= 2.50D-02 ExpMax= 7.89D+04 ExpMxC= 2.69D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Harris En= -580.854497809326 JPrj=0 DoOrth=F DoCkMO=F. Initial guess orbital symmetries: Occupied (A2U) (A1G) (A2U) (A1G) (EU) (EU) (EG) (EG) (A1G) (A2U) (A1G) (A2U) (EU) (EU) (EG) (EG) (A1G) Virtual (EU) (EU) (A2U) (A1G) (EG) (EG) (A2U) (A1G) (EU) (EU) (EG) (EG) (A2U) (EU) (EU) (A1G) (EG) (EG) (EU) (EU) (A2U) (A1G) (A2U) (EG) (EG) (A1G) (A2U) (EU) (EU) (EG) (EG) (EG) (EG) (A1U) (EU) (EU) (A2G) (A1G) (EG) (EG) (EU) (EU) (A2U) (A2U) (EG) (EG) (EU) (EU) (A1G) (EU) (EU) (A2U) (A1G) (EG) (EG) (A1G) (EU) (EU) (A1G) (EG) (EG) (A2U) (EG) (EG) (EU) (EU) (A2U) (A2U) (EG) (EG) (A1G) (EU) (EU) (A1U) (A2G) (EG) (EG) (EU) (EU) (A2U) (A1G) (EG) (EG) (EU) (EU) (A1G) (A2U) (EG) (EG) (EU) (EU) The electronic state of the initial guess is 1-A1G. Leave Link 401 at Thu Apr 4 19:35:20 2019, MaxMem= 13421772800 cpu: 4.8 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l502.exe) Restricted open shell SCF: Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=21774052. IVT= 60626 IEndB= 60626 NGot= 13421772800 MDV= 13412949957 LenX= 13412949957 LenY= 13412936972 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 5886 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Cycle 1 Pass 1 IDiag 1: E= -581.298093564946 DIIS: error= 2.52D-02 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -581.298093564946 IErMin= 1 ErrMin= 2.52D-02 ErrMax= 2.52D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 6.50D-02 BMatP= 6.50D-02 IDIUse=3 WtCom= 7.48D-01 WtEn= 2.52D-01 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.480 Goal= None Shift= 0.000 GapD= 0.480 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1. RMSDP=6.72D-03 MaxDP=1.66D-01 OVMax= 4.40D-02 Cycle 2 Pass 1 IDiag 1: E= -581.339338118887 Delta-E= -0.041244553941 Rises=F Damp=F DIIS: error= 2.93D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -581.339338118887 IErMin= 2 ErrMin= 2.93D-03 ErrMax= 2.93D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 6.23D-04 BMatP= 6.50D-02 IDIUse=3 WtCom= 9.71D-01 WtEn= 2.93D-02 Coeff-Com: -0.551D-01 0.106D+01 Coeff-En: 0.000D+00 0.100D+01 Coeff: -0.534D-01 0.105D+01 Gap= 0.443 Goal= None Shift= 0.000 RMSDP=1.16D-03 MaxDP=3.15D-02 DE=-4.12D-02 OVMax= 1.47D-02 Cycle 3 Pass 1 IDiag 1: E= -581.340593446780 Delta-E= -0.001255327893 Rises=F Damp=F DIIS: error= 8.19D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -581.340593446780 IErMin= 3 ErrMin= 8.19D-04 ErrMax= 8.19D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.53D-05 BMatP= 6.23D-04 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.19D-03 Coeff-Com: 0.864D-02-0.292D+00 0.128D+01 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.857D-02-0.290D+00 0.128D+01 Gap= 0.442 Goal= None Shift= 0.000 RMSDP=2.89D-04 MaxDP=7.06D-03 DE=-1.26D-03 OVMax= 5.80D-03 Cycle 4 Pass 1 IDiag 1: E= -581.340716436502 Delta-E= -0.000122989721 Rises=F Damp=F DIIS: error= 2.04D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -581.340716436502 IErMin= 4 ErrMin= 2.04D-04 ErrMax= 2.04D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-06 BMatP= 3.53D-05 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.04D-03 Coeff-Com: -0.130D-03 0.366D-02-0.157D+00 0.115D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: -0.130D-03 0.366D-02-0.157D+00 0.115D+01 Gap= 0.444 Goal= None Shift= 0.000 RMSDP=3.01D-05 MaxDP=4.35D-04 DE=-1.23D-04 OVMax= 1.61D-03 Cycle 5 Pass 1 IDiag 1: E= -581.340721280600 Delta-E= -0.000004844098 Rises=F Damp=F DIIS: error= 3.32D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -581.340721280600 IErMin= 5 ErrMin= 3.32D-05 ErrMax= 3.32D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 5.27D-08 BMatP= 1.18D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.196D-03 0.130D-01-0.576D-01-0.309D-01 0.108D+01 Coeff: -0.196D-03 0.130D-01-0.576D-01-0.309D-01 0.108D+01 Gap= 0.443 Goal= None Shift= 0.000 RMSDP=9.85D-06 MaxDP=1.67D-04 DE=-4.84D-06 OVMax= 2.92D-04 Cycle 6 Pass 1 IDiag 1: E= -581.340721482032 Delta-E= -0.000000201433 Rises=F Damp=F DIIS: error= 8.19D-06 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -581.340721482032 IErMin= 6 ErrMin= 8.19D-06 ErrMax= 8.19D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-09 BMatP= 5.27D-08 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.480D-04-0.301D-02 0.182D-01-0.346D-01-0.233D+00 0.125D+01 Coeff: 0.480D-04-0.301D-02 0.182D-01-0.346D-01-0.233D+00 0.125D+01 Gap= 0.443 Goal= None Shift= 0.000 RMSDP=3.10D-06 MaxDP=5.63D-05 DE=-2.01D-07 OVMax= 7.03D-05 Cycle 7 Pass 1 IDiag 1: E= -581.340721489004 Delta-E= -0.000000006971 Rises=F Damp=F DIIS: error= 8.67D-07 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -581.340721489004 IErMin= 7 ErrMin= 8.67D-07 ErrMax= 8.67D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-11 BMatP= 1.79D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.532D-05 0.386D-03-0.272D-02 0.790D-02 0.272D-01-0.241D+00 Coeff-Com: 0.121D+01 Coeff: -0.532D-05 0.386D-03-0.272D-02 0.790D-02 0.272D-01-0.241D+00 Coeff: 0.121D+01 Gap= 0.443 Goal= None Shift= 0.000 RMSDP=2.00D-07 MaxDP=3.03D-06 DE=-6.97D-09 OVMax= 7.72D-06 Cycle 8 Pass 1 IDiag 1: E= -581.340721489092 Delta-E= -0.000000000088 Rises=F Damp=F DIIS: error= 1.63D-07 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -581.340721489092 IErMin= 8 ErrMin= 1.63D-07 ErrMax= 1.63D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 6.31D-13 BMatP= 2.10D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.114D-05-0.741D-04 0.570D-03-0.199D-02-0.486D-02 0.565D-01 Coeff-Com: -0.394D+00 0.134D+01 Coeff: 0.114D-05-0.741D-04 0.570D-03-0.199D-02-0.486D-02 0.565D-01 Coeff: -0.394D+00 0.134D+01 Gap= 0.443 Goal= None Shift= 0.000 RMSDP=3.80D-08 MaxDP=5.56D-07 DE=-8.81D-11 OVMax= 1.48D-06 Cycle 9 Pass 1 IDiag 1: E= -581.340721489097 Delta-E= -0.000000000005 Rises=F Damp=F DIIS: error= 1.40D-08 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -581.340721489097 IErMin= 9 ErrMin= 1.40D-08 ErrMax= 1.40D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 8.82D-15 BMatP= 6.31D-13 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.960D-07 0.229D-05-0.265D-04 0.145D-03 0.110D-04-0.289D-02 Coeff-Com: 0.329D-01-0.221D+00 0.119D+01 Coeff: -0.960D-07 0.229D-05-0.265D-04 0.145D-03 0.110D-04-0.289D-02 Coeff: 0.329D-01-0.221D+00 0.119D+01 Gap= 0.443 Goal= None Shift= 0.000 RMSDP=3.82D-09 MaxDP=5.84D-08 DE=-4.89D-12 OVMax= 1.30D-07 SCF Done: E(ROHF) = -581.340721489 A.U. after 9 cycles NFock= 9 Conv=0.38D-08 -V/T= 2.0001 = 0.0000 = 0.0000 = 0.0000 = 0.0000 S= 0.0000 = 0.000000000000E+00 KE= 5.812779407349D+02 PE=-1.566785639640D+03 EE= 3.137232463726D+02 Annihilation of the first spin contaminant: S**2 before annihilation 0.0000, after 0.0000 Leave Link 502 at Thu Apr 4 19:35:21 2019, MaxMem= 13421772800 cpu: 21.0 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l801.exe) Windowed orbitals will be sorted by symmetry type. GenMOA: NOpAll= 12 NOp2=4 NOpUse= 12 JSym2X=1 FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 1. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 1 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. = 0.0000 = 0.0000 = 0.0000 = 0.0000 S= 0.0000 ExpMin= 2.50D-02 ExpMax= 7.89D+04 ExpMxC= 2.69D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV=-2 UseB2=F ITyADJ=14 ICtDFT= 12500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Largest valence mixing into a core orbital is 2.26D-04 Largest core mixing into a valence orbital is 9.36D-05 Largest valence mixing into a core orbital is 2.26D-04 Largest core mixing into a valence orbital is 9.36D-05 Range of M.O.s used for correlation: 11 108 NBasis= 108 NAE= 17 NBE= 17 NFC= 10 NFV= 0 NROrb= 98 NOA= 7 NOB= 7 NVA= 91 NVB= 91 **** Warning!!: The largest alpha MO coefficient is 0.25702358D+02 **** Warning!!: The largest beta MO coefficient is 0.25702358D+02 Singles contribution to E2= -0.2127032577D-15 Leave Link 801 at Thu Apr 4 19:35:21 2019, MaxMem= 13421772800 cpu: 5.9 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe) Open-shell transformation, MDV= 13421772800 ITran=4 ISComp=2. Semi-Direct transformation. ModeAB= 4 MOrb= 7 LenV= 13421297101 LASXX= 783614 LTotXX= 783614 LenRXX= 1597616 LTotAB= 814002 MaxLAS= 1690990 LenRXY= 0 NonZer= 2381230 LenScr= 4128768 LnRSAI= 1690990 LnScr1= 2949120 LExtra= 0 Total= 10366494 MaxDsk= -1 SrtSym= T ITran= 4 DoSDTr: NPSUse= 24 JobTyp=1 Pass 1: I= 1 to 7. (rs|ai) integrals will be sorted in core. Complete sort for first half transformation. First half transformation complete. Complete sort for second half transformation. Second half transformation complete. ModeAB= 4 MOrb= 7 LenV= 13421297101 LASXX= 783614 LTotXX= 783614 LenRXX= 1485573 LTotAB= 701959 MaxLAS= 1690990 LenRXY= 0 NonZer= 2269187 LenScr= 3932160 LnRSAI= 1690990 LnScr1= 2949120 LExtra= 0 Total= 10057843 MaxDsk= -1 SrtSym= T ITran= 4 DoSDTr: NPSUse= 24 JobTyp=2 Pass 1: I= 1 to 7. (rs|ai) integrals will be sorted in core. Complete sort for first half transformation. First half transformation complete. Complete sort for second half transformation. Second half transformation complete. Spin components of T(2) and E(2): alpha-alpha T2 = 0.8390271579D-02 E2= -0.1511924134D-01 alpha-beta T2 = 0.8758206699D-01 E2= -0.1937168872D+00 beta-beta T2 = 0.8390271579D-02 E2= -0.1511924134D-01 ANorm= 0.1050886583D+01 E2 = -0.2239553699D+00 EUMP2 = -0.58156467685897D+03 (S**2,0)= 0.00000D+00 (S**2,1)= 0.00000D+00 E(PUHF)= -0.58134072149D+03 E(PMP2)= -0.58156467686D+03 Leave Link 804 at Thu Apr 4 19:35:22 2019, MaxMem= 13421772800 cpu: 21.9 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe) CIDS: MDV= 13421772800. Frozen-core window: NFC= 10 NFV= 0. IFCWin=0 IBDFC=1 NFBD= 0 0 NFCmp= 0 0 NFFFC= 0 0 Using original routines for 1st iteration, S=T. Using DD4UQ or CC4UQ for 2nd and later iterations. Keep R2 and R3 ints in memory in symmetry-blocked form, NReq=21715444. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 5886 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. CCSD(T) ======= Iterations= 50 Convergence= 0.100D-06 Iteration Nr. 1 ********************** DD1Dir will call FoFMem 1 times, MxPair= 140 NAB= 49 NAA= 21 NBB= 21. DD1Dir will call FoFMem 1 times, MxPair= 140 NAB= 49 NAA= 21 NBB= 21. MP4(R+Q)= 0.48759993D-01 Maximum subspace dimension= 5 Norm of the A-vectors is 7.4718671D-02 conv= 1.00D-05. RLE energy= -0.2192159658 E3= -0.43918124D-01 EROMP3= -0.58160859498D+03 E4(SDQ)= -0.78270566D-02 ROMP4(SDQ)= -0.58161642204D+03 VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION: DE(Corr)= -0.21911350 E(Corr)= -581.55983499 NORM(A)= 0.10484593D+01 Iteration Nr. 2 ********************** DD1Dir will call FoFMem 1 times, MxPair= 140 NAB= 49 NAA= 21 NBB= 21. Norm of the A-vectors is 5.8677220D-01 conv= 1.00D-05. RLE energy= -0.2362568561 DE(Corr)= -0.26230387 E(CORR)= -581.60302536 Delta=-4.32D-02 NORM(A)= 0.10564319D+01 Iteration Nr. 3 ********************** DD1Dir will call FoFMem 1 times, MxPair= 140 NAB= 49 NAA= 21 NBB= 21. Norm of the A-vectors is 4.2069012D-01 conv= 1.00D-05. RLE energy= -0.2421822420 DE(Corr)= -0.26640842 E(CORR)= -581.60712991 Delta=-4.10D-03 NORM(A)= 0.10598865D+01 Iteration Nr. 4 ********************** DD1Dir will call FoFMem 1 times, MxPair= 140 NAB= 49 NAA= 21 NBB= 21. Norm of the A-vectors is 3.5686330D-01 conv= 1.00D-05. RLE energy= -0.2696312071 DE(Corr)= -0.26809513 E(CORR)= -581.60881662 Delta=-1.69D-03 NORM(A)= 0.10766862D+01 Iteration Nr. 5 ********************** DD1Dir will call FoFMem 1 times, MxPair= 140 NAB= 49 NAA= 21 NBB= 21. Norm of the A-vectors is 7.5621538D-02 conv= 1.00D-05. RLE energy= -0.2822214749 DE(Corr)= -0.27512836 E(CORR)= -581.61584985 Delta=-7.03D-03 NORM(A)= 0.10855204D+01 Iteration Nr. 6 ********************** DD1Dir will call FoFMem 1 times, MxPair= 140 NAB= 49 NAA= 21 NBB= 21. Norm of the A-vectors is 5.4168543D-02 conv= 1.00D-05. RLE energy= -0.2768901701 DE(Corr)= -0.27825973 E(CORR)= -581.61898122 Delta=-3.13D-03 NORM(A)= 0.10817774D+01 Iteration Nr. 7 ********************** DD1Dir will call FoFMem 1 times, MxPair= 140 NAB= 49 NAA= 21 NBB= 21. Norm of the A-vectors is 1.3225308D-03 conv= 1.00D-05. RLE energy= -0.2769551795 DE(Corr)= -0.27694111 E(CORR)= -581.61766260 Delta= 1.32D-03 NORM(A)= 0.10818416D+01 Iteration Nr. 8 ********************** DD1Dir will call FoFMem 1 times, MxPair= 140 NAB= 49 NAA= 21 NBB= 21. Norm of the A-vectors is 3.2915089D-04 conv= 1.00D-05. RLE energy= -0.2769636957 DE(Corr)= -0.27696015 E(CORR)= -581.61768164 Delta=-1.90D-05 NORM(A)= 0.10818509D+01 Iteration Nr. 9 ********************** DD1Dir will call FoFMem 1 times, MxPair= 140 NAB= 49 NAA= 21 NBB= 21. Norm of the A-vectors is 1.0919321D-04 conv= 1.00D-05. RLE energy= -0.2769618254 DE(Corr)= -0.27696232 E(CORR)= -581.61768381 Delta=-2.18D-06 NORM(A)= 0.10818497D+01 Iteration Nr. 10 ********************** DD1Dir will call FoFMem 1 times, MxPair= 140 NAB= 49 NAA= 21 NBB= 21. Norm of the A-vectors is 2.5656206D-05 conv= 1.00D-05. RLE energy= -0.2769618564 DE(Corr)= -0.27696186 E(CORR)= -581.61768335 Delta= 4.64D-07 NORM(A)= 0.10818497D+01 Iteration Nr. 11 ********************** DD1Dir will call FoFMem 1 times, MxPair= 140 NAB= 49 NAA= 21 NBB= 21. Norm of the A-vectors is 9.4301326D-06 conv= 1.00D-05. RLE energy= -0.2769618421 DE(Corr)= -0.27696186 E(CORR)= -581.61768334 Delta= 1.52D-09 NORM(A)= 0.10818497D+01 CI/CC converged in 11 iterations to DelEn= 1.52D-09 Conv= 1.00D-07 ErrA1= 9.43D-06 Conv= 1.00D-05 Largest amplitude= 2.45D-02 Time for triples= 9956.49 seconds. T4(CCSD)= -0.71619201D-02 T5(CCSD)= 0.16619376D-03 CCSD(T)= -0.58162467907D+03 Discarding MO integrals. Leave Link 913 at Thu Apr 4 19:43:03 2019, MaxMem= 13421772800 cpu: 10639.7 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l601.exe) Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=1. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A1G) (A2U) (A1G) (A2U) (A1G) (EU) (EU) (EG) (EG) (A2U) (A1G) (A2U) (EU) (EU) (EG) (EG) (A1G) Virtual (A1G) (A2U) (EU) (EU) (EG) (EG) (A1G) (EG) (EG) (EU) (EU) (A2U) (A2U) (EU) (EU) (A1G) (EG) (EG) (A2U) (EU) (EU) (A1G) (A2U) (EG) (EG) (A1G) (A2U) (EU) (EU) (EG) (EG) (EG) (EG) (A1U) (EU) (EU) (A1G) (A2G) (EG) (EG) (A2U) (EU) (EU) (EG) (EG) (A2U) (EU) (EU) (EU) (EU) (A1G) (A1G) (A2U) (EG) (EG) (A1G) (A1G) (EU) (EU) (EG) (EG) (A2U) (EG) (EG) (EU) (EU) (A2U) (A2U) (EG) (EG) (A1G) (EU) (EU) (A1U) (A2G) (EG) (EG) (EU) (EU) (A2U) (A1G) (EG) (EG) (EU) (EU) (A1G) (A2U) (EG) (EG) (EU) (EU) The electronic state is 1-A1G. Alpha occ. eigenvalues -- -68.78181 -68.78181 -6.13112 -6.13101 -4.23713 Alpha occ. eigenvalues -- -4.23695 -4.23695 -4.23688 -4.23688 -4.23648 Alpha occ. eigenvalues -- -0.75896 -0.68092 -0.49852 -0.49852 -0.47125 Alpha occ. eigenvalues -- -0.47125 -0.40418 Alpha virt. eigenvalues -- 0.03921 0.04148 0.06464 0.06464 0.07164 Alpha virt. eigenvalues -- 0.07164 0.07454 0.08900 0.08900 0.10226 Alpha virt. eigenvalues -- 0.10226 0.10294 0.14010 0.15906 0.15906 Alpha virt. eigenvalues -- 0.16539 0.19544 0.19544 0.21677 0.23825 Alpha virt. eigenvalues -- 0.23825 0.24672 0.28943 0.32065 0.32065 Alpha virt. eigenvalues -- 0.34536 0.35739 0.37008 0.37008 0.39953 Alpha virt. eigenvalues -- 0.39953 0.41009 0.41009 0.42204 0.43624 Alpha virt. eigenvalues -- 0.43624 0.46731 0.46739 0.53746 0.53746 Alpha virt. eigenvalues -- 0.54393 0.54681 0.54681 0.58474 0.58474 Alpha virt. eigenvalues -- 0.59132 0.60644 0.60644 0.69076 0.69076 Alpha virt. eigenvalues -- 0.69409 0.70201 0.71742 0.76404 0.76404 Alpha virt. eigenvalues -- 0.79064 0.80995 0.81304 0.81304 0.90935 Alpha virt. eigenvalues -- 0.90935 0.96470 1.00149 1.00149 1.00751 Alpha virt. eigenvalues -- 1.00751 1.19268 1.27885 1.38495 1.38495 Alpha virt. eigenvalues -- 1.39882 1.44394 1.44394 1.77247 1.80640 Alpha virt. eigenvalues -- 1.90975 1.90975 1.91054 1.91054 2.00863 Alpha virt. eigenvalues -- 2.02243 2.12598 2.12598 2.13102 2.13102 Alpha virt. eigenvalues -- 2.17723 2.22855 2.28978 2.28978 2.37714 Alpha virt. eigenvalues -- 2.37714 Molecular Orbital Coefficients: 1 2 3 4 5 (A1G)--O (A2U)--O (A1G)--O (A2U)--O (A1G)--O Eigenvalues -- -68.78181 -68.78181 -6.13112 -6.13101 -4.23713 1 1 Si 1S 0.70770 0.70771 -0.18708 -0.18699 -0.00008 2 2S -0.00217 -0.00210 0.73073 0.73199 0.00013 3 3S 0.00058 0.00082 0.02665 0.03091 -0.00053 4 4S -0.00088 -0.00194 -0.01650 -0.03670 0.01551 5 5S 0.00066 -0.00024 0.01651 -0.00153 -0.00149 6 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 7 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 8 6PZ 0.00000 0.00000 -0.00014 -0.00001 0.70283 9 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 10 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 11 7PZ 0.00001 -0.00002 0.00001 -0.00053 0.01499 12 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 13 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 14 8PZ -0.00008 0.00158 0.00061 0.03155 -0.00011 15 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 17 9PZ 0.00004 0.00018 0.00114 0.00433 0.00028 18 10D 0 -0.00004 -0.00007 -0.00063 -0.00076 -0.00069 19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D 0 0.00005 -0.00039 0.00039 -0.00795 -0.00031 24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 Si 1S 0.70770 -0.70771 -0.18708 0.18699 -0.00008 29 2S -0.00217 0.00210 0.73073 -0.73199 0.00013 30 3S 0.00058 -0.00082 0.02665 -0.03091 -0.00053 31 4S -0.00088 0.00194 -0.01650 0.03670 0.01551 32 5S 0.00066 0.00024 0.01651 0.00153 -0.00149 33 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 34 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 6PZ 0.00000 0.00000 0.00014 -0.00001 -0.70283 36 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 37 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 38 7PZ -0.00001 -0.00002 -0.00001 -0.00053 -0.01499 39 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 40 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 41 8PZ 0.00008 0.00158 -0.00061 0.03155 0.00011 42 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 44 9PZ -0.00004 0.00018 -0.00114 0.00433 -0.00028 45 10D 0 -0.00004 0.00007 -0.00063 0.00076 -0.00069 46 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 11D 0 0.00005 0.00039 0.00039 0.00795 -0.00031 51 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 H 1S -0.00004 -0.00002 -0.00027 0.00021 0.00057 56 2S 0.00012 -0.00012 0.00004 -0.00432 -0.00582 57 3S -0.00016 -0.00011 -0.00400 -0.00342 0.00027 58 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 59 4PY 0.00004 0.00004 0.00020 0.00016 -0.00021 60 4PZ 0.00002 0.00001 0.00014 0.00003 -0.00008 61 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 5PY -0.00003 0.00004 0.00056 0.00190 0.00228 63 5PZ -0.00001 -0.00006 -0.00010 -0.00073 0.00117 64 4 H 1S -0.00004 -0.00002 -0.00027 0.00021 0.00057 65 2S 0.00012 -0.00012 0.00004 -0.00432 -0.00582 66 3S -0.00016 -0.00011 -0.00400 -0.00342 0.00027 67 4PX -0.00003 -0.00003 -0.00017 -0.00014 0.00018 68 4PY -0.00002 -0.00002 -0.00010 -0.00008 0.00011 69 4PZ 0.00002 0.00001 0.00014 0.00003 -0.00008 70 5PX 0.00002 -0.00003 -0.00048 -0.00165 -0.00198 71 5PY 0.00001 -0.00002 -0.00028 -0.00095 -0.00114 72 5PZ -0.00001 -0.00006 -0.00010 -0.00073 0.00117 73 5 H 1S -0.00004 -0.00002 -0.00027 0.00021 0.00057 74 2S 0.00012 -0.00012 0.00004 -0.00432 -0.00582 75 3S -0.00016 -0.00011 -0.00400 -0.00342 0.00027 76 4PX 0.00003 0.00003 0.00017 0.00014 -0.00018 77 4PY -0.00002 -0.00002 -0.00010 -0.00008 0.00011 78 4PZ 0.00002 0.00001 0.00014 0.00003 -0.00008 79 5PX -0.00002 0.00003 0.00048 0.00165 0.00198 80 5PY 0.00001 -0.00002 -0.00028 -0.00095 -0.00114 81 5PZ -0.00001 -0.00006 -0.00010 -0.00073 0.00117 82 6 H 1S -0.00004 0.00002 -0.00027 -0.00021 0.00057 83 2S 0.00012 0.00012 0.00004 0.00432 -0.00582 84 3S -0.00016 0.00011 -0.00400 0.00342 0.00027 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY -0.00004 0.00004 -0.00020 0.00016 0.00021 87 4PZ -0.00002 0.00001 -0.00014 0.00003 0.00008 88 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 5PY 0.00003 0.00004 -0.00056 0.00190 -0.00228 90 5PZ 0.00001 -0.00006 0.00010 -0.00073 -0.00117 91 7 H 1S -0.00004 0.00002 -0.00027 -0.00021 0.00057 92 2S 0.00012 0.00012 0.00004 0.00432 -0.00582 93 3S -0.00016 0.00011 -0.00400 0.00342 0.00027 94 4PX -0.00003 0.00003 -0.00017 0.00014 0.00018 95 4PY 0.00002 -0.00002 0.00010 -0.00008 -0.00011 96 4PZ -0.00002 0.00001 -0.00014 0.00003 0.00008 97 5PX 0.00002 0.00003 -0.00048 0.00165 -0.00198 98 5PY -0.00001 -0.00002 0.00028 -0.00095 0.00114 99 5PZ 0.00001 -0.00006 0.00010 -0.00073 -0.00117 100 8 H 1S -0.00004 0.00002 -0.00027 -0.00021 0.00057 101 2S 0.00012 0.00012 0.00004 0.00432 -0.00582 102 3S -0.00016 0.00011 -0.00400 0.00342 0.00027 103 4PX 0.00003 -0.00003 0.00017 -0.00014 -0.00018 104 4PY 0.00002 -0.00002 0.00010 -0.00008 -0.00011 105 4PZ -0.00002 0.00001 -0.00014 0.00003 0.00008 106 5PX -0.00002 -0.00003 0.00048 -0.00165 0.00198 107 5PY -0.00001 -0.00002 0.00028 -0.00095 0.00114 108 5PZ 0.00001 -0.00006 0.00010 -0.00073 -0.00117 6 7 8 9 10 (EU)--O (EU)--O (EG)--O (EG)--O (A2U)--O Eigenvalues -- -4.23695 -4.23695 -4.23688 -4.23688 -4.23648 1 1 Si 1S 0.00000 0.00000 0.00000 0.00000 0.00001 2 2S 0.00000 0.00000 0.00000 0.00000 -0.00023 3 3S 0.00000 0.00000 0.00000 0.00000 -0.00051 4 4S 0.00000 0.00000 0.00000 0.00000 0.01161 5 5S 0.00000 0.00000 0.00000 0.00000 0.00898 6 6PX 0.00000 0.70299 0.00000 0.70301 0.00000 7 6PY 0.70299 0.00000 0.70301 0.00000 0.00000 8 6PZ 0.00000 0.00000 0.00000 0.00000 0.70318 9 7PX 0.00000 0.01475 0.00000 0.01482 0.00000 10 7PY 0.01475 0.00000 0.01482 0.00000 0.00000 11 7PZ 0.00000 0.00000 0.00000 0.00000 0.01468 12 8PX 0.00000 0.00258 0.00000 -0.00016 0.00000 13 8PY 0.00258 0.00000 -0.00016 0.00000 0.00000 14 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00642 15 9PX 0.00000 0.00109 0.00000 0.00062 0.00000 16 9PY 0.00109 0.00000 0.00062 0.00000 0.00000 17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 10D 0 0.00000 0.00000 0.00000 0.00000 -0.00083 19 10D+1 0.00000 0.00041 0.00000 0.00006 0.00000 20 10D-1 0.00041 0.00000 0.00006 0.00000 0.00000 21 10D+2 -0.00043 0.00000 -0.00033 0.00000 0.00000 22 10D-2 0.00000 -0.00043 0.00000 -0.00033 0.00000 23 11D 0 0.00000 0.00000 0.00000 0.00000 0.00151 24 11D+1 0.00000 0.00094 0.00000 0.00254 0.00000 25 11D-1 0.00094 0.00000 0.00254 0.00000 0.00000 26 11D+2 0.00038 0.00000 -0.00035 0.00000 0.00000 27 11D-2 0.00000 0.00038 0.00000 -0.00035 0.00000 28 2 Si 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 29 2S 0.00000 0.00000 0.00000 0.00000 0.00023 30 3S 0.00000 0.00000 0.00000 0.00000 0.00051 31 4S 0.00000 0.00000 0.00000 0.00000 -0.01161 32 5S 0.00000 0.00000 0.00000 0.00000 -0.00898 33 6PX 0.00000 0.70299 0.00000 -0.70301 0.00000 34 6PY 0.70299 0.00000 -0.70301 0.00000 0.00000 35 6PZ 0.00000 0.00000 0.00000 0.00000 0.70318 36 7PX 0.00000 0.01475 0.00000 -0.01482 0.00000 37 7PY 0.01475 0.00000 -0.01482 0.00000 0.00000 38 7PZ 0.00000 0.00000 0.00000 0.00000 0.01468 39 8PX 0.00000 0.00258 0.00000 0.00016 0.00000 40 8PY 0.00258 0.00000 0.00016 0.00000 0.00000 41 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00642 42 9PX 0.00000 0.00109 0.00000 -0.00062 0.00000 43 9PY 0.00109 0.00000 -0.00062 0.00000 0.00000 44 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 10D 0 0.00000 0.00000 0.00000 0.00000 0.00083 46 10D+1 0.00000 -0.00041 0.00000 0.00006 0.00000 47 10D-1 -0.00041 0.00000 0.00006 0.00000 0.00000 48 10D+2 0.00043 0.00000 -0.00033 0.00000 0.00000 49 10D-2 0.00000 0.00043 0.00000 -0.00033 0.00000 50 11D 0 0.00000 0.00000 0.00000 0.00000 -0.00151 51 11D+1 0.00000 -0.00094 0.00000 0.00254 0.00000 52 11D-1 -0.00094 0.00000 0.00254 0.00000 0.00000 53 11D+2 -0.00038 0.00000 -0.00035 0.00000 0.00000 54 11D-2 0.00000 -0.00038 0.00000 -0.00035 0.00000 55 3 H 1S 0.00111 0.00000 0.00118 0.00000 0.00030 56 2S -0.00565 0.00000 -0.00528 0.00000 -0.00237 57 3S -0.00208 0.00000 -0.00146 0.00000 -0.00161 58 4PX 0.00000 0.00005 0.00000 0.00004 0.00000 59 4PY -0.00059 0.00000 -0.00062 0.00000 -0.00021 60 4PZ -0.00023 0.00000 -0.00016 0.00000 -0.00005 61 5PX 0.00000 -0.00084 0.00000 -0.00037 0.00000 62 5PY 0.00299 0.00000 0.00268 0.00000 0.00119 63 5PZ 0.00083 0.00000 0.00041 0.00000 0.00035 64 4 H 1S -0.00055 -0.00096 -0.00059 -0.00102 0.00030 65 2S 0.00282 0.00489 0.00264 0.00458 -0.00237 66 3S 0.00104 0.00180 0.00073 0.00127 -0.00161 67 4PX -0.00028 -0.00043 -0.00029 -0.00046 0.00018 68 4PY -0.00011 -0.00028 -0.00012 -0.00029 0.00010 69 4PZ 0.00011 0.00020 0.00008 0.00014 -0.00005 70 5PX 0.00166 0.00203 0.00132 0.00192 -0.00103 71 5PY 0.00012 0.00166 0.00039 0.00132 -0.00059 72 5PZ -0.00042 -0.00072 -0.00021 -0.00036 0.00035 73 5 H 1S -0.00055 0.00096 -0.00059 0.00102 0.00030 74 2S 0.00282 -0.00489 0.00264 -0.00458 -0.00237 75 3S 0.00104 -0.00180 0.00073 -0.00127 -0.00161 76 4PX 0.00028 -0.00043 0.00029 -0.00046 -0.00018 77 4PY -0.00011 0.00028 -0.00012 0.00029 0.00010 78 4PZ 0.00011 -0.00020 0.00008 -0.00014 -0.00005 79 5PX -0.00166 0.00203 -0.00132 0.00192 0.00103 80 5PY 0.00012 -0.00166 0.00039 -0.00132 -0.00059 81 5PZ -0.00042 0.00072 -0.00021 0.00036 0.00035 82 6 H 1S -0.00111 0.00000 0.00118 0.00000 -0.00030 83 2S 0.00565 0.00000 -0.00528 0.00000 0.00237 84 3S 0.00208 0.00000 -0.00146 0.00000 0.00161 85 4PX 0.00000 0.00005 0.00000 -0.00004 0.00000 86 4PY -0.00059 0.00000 0.00062 0.00000 -0.00021 87 4PZ -0.00023 0.00000 0.00016 0.00000 -0.00005 88 5PX 0.00000 -0.00084 0.00000 0.00037 0.00000 89 5PY 0.00299 0.00000 -0.00268 0.00000 0.00119 90 5PZ 0.00083 0.00000 -0.00041 0.00000 0.00035 91 7 H 1S 0.00055 -0.00096 -0.00059 0.00102 -0.00030 92 2S -0.00282 0.00489 0.00264 -0.00458 0.00237 93 3S -0.00104 0.00180 0.00073 -0.00127 0.00161 94 4PX 0.00028 -0.00043 -0.00029 0.00046 -0.00018 95 4PY -0.00011 0.00028 0.00012 -0.00029 0.00010 96 4PZ 0.00011 -0.00020 -0.00008 0.00014 -0.00005 97 5PX -0.00166 0.00203 0.00132 -0.00192 0.00103 98 5PY 0.00012 -0.00166 -0.00039 0.00132 -0.00059 99 5PZ -0.00042 0.00072 0.00021 -0.00036 0.00035 100 8 H 1S 0.00055 0.00096 -0.00059 -0.00102 -0.00030 101 2S -0.00282 -0.00489 0.00264 0.00458 0.00237 102 3S -0.00104 -0.00180 0.00073 0.00127 0.00161 103 4PX -0.00028 -0.00043 0.00029 0.00046 0.00018 104 4PY -0.00011 -0.00028 0.00012 0.00029 0.00010 105 4PZ 0.00011 0.00020 -0.00008 -0.00014 -0.00005 106 5PX 0.00166 0.00203 -0.00132 -0.00192 -0.00103 107 5PY 0.00012 0.00166 -0.00039 -0.00132 -0.00059 108 5PZ -0.00042 -0.00072 0.00021 0.00036 0.00035 11 12 13 14 15 (A1G)--O (A2U)--O (EU)--O (EU)--O (EG)--O Eigenvalues -- -0.75896 -0.68092 -0.49852 -0.49852 -0.47125 1 1 Si 1S 0.04130 0.03701 0.00000 0.00000 0.00000 2 2S -0.16888 -0.14790 0.00000 0.00000 0.00000 3 3S 0.29870 0.27781 0.00000 0.00000 0.00000 4 4S 0.18594 0.11355 0.00000 0.00000 0.00000 5 5S -0.03718 -0.08289 0.00000 0.00000 0.00000 6 6PX 0.00000 0.00000 -0.11508 0.00000 -0.11006 7 6PY 0.00000 0.00000 0.00000 -0.11508 0.00000 8 6PZ 0.01477 -0.04388 0.00000 0.00000 0.00000 9 7PX 0.00000 0.00000 0.23993 0.00000 0.23106 10 7PY 0.00000 0.00000 0.00000 0.23993 0.00000 11 7PZ -0.03653 0.08426 0.00000 0.00000 0.00000 12 8PX 0.00000 0.00000 0.16634 0.00000 0.25686 13 8PY 0.00000 0.00000 0.00000 0.16634 0.00000 14 8PZ -0.02480 0.08185 0.00000 0.00000 0.00000 15 9PX 0.00000 0.00000 0.00563 0.00000 0.00563 16 9PY 0.00000 0.00000 0.00000 0.00563 0.00000 17 9PZ 0.00084 -0.00091 0.00000 0.00000 0.00000 18 10D 0 0.01747 -0.02878 0.00000 0.00000 0.00000 19 10D+1 0.00000 0.00000 0.02495 0.00000 0.04872 20 10D-1 0.00000 0.00000 0.00000 0.02495 0.00000 21 10D+2 0.00000 0.00000 0.00000 -0.05213 0.00000 22 10D-2 0.00000 0.00000 -0.05213 0.00000 -0.05911 23 11D 0 0.00001 -0.00963 0.00000 0.00000 0.00000 24 11D+1 0.00000 0.00000 0.00851 0.00000 -0.02849 25 11D-1 0.00000 0.00000 0.00000 0.00851 0.00000 26 11D+2 0.00000 0.00000 0.00000 -0.04206 0.00000 27 11D-2 0.00000 0.00000 -0.04206 0.00000 -0.03370 28 2 Si 1S 0.04130 -0.03701 0.00000 0.00000 0.00000 29 2S -0.16888 0.14790 0.00000 0.00000 0.00000 30 3S 0.29870 -0.27781 0.00000 0.00000 0.00000 31 4S 0.18594 -0.11355 0.00000 0.00000 0.00000 32 5S -0.03718 0.08289 0.00000 0.00000 0.00000 33 6PX 0.00000 0.00000 -0.11508 0.00000 0.11006 34 6PY 0.00000 0.00000 0.00000 -0.11508 0.00000 35 6PZ -0.01477 -0.04388 0.00000 0.00000 0.00000 36 7PX 0.00000 0.00000 0.23993 0.00000 -0.23106 37 7PY 0.00000 0.00000 0.00000 0.23993 0.00000 38 7PZ 0.03653 0.08426 0.00000 0.00000 0.00000 39 8PX 0.00000 0.00000 0.16634 0.00000 -0.25686 40 8PY 0.00000 0.00000 0.00000 0.16634 0.00000 41 8PZ 0.02480 0.08185 0.00000 0.00000 0.00000 42 9PX 0.00000 0.00000 0.00563 0.00000 -0.00563 43 9PY 0.00000 0.00000 0.00000 0.00563 0.00000 44 9PZ -0.00084 -0.00091 0.00000 0.00000 0.00000 45 10D 0 0.01747 0.02878 0.00000 0.00000 0.00000 46 10D+1 0.00000 0.00000 -0.02495 0.00000 0.04872 47 10D-1 0.00000 0.00000 0.00000 -0.02495 0.00000 48 10D+2 0.00000 0.00000 0.00000 0.05213 0.00000 49 10D-2 0.00000 0.00000 0.05213 0.00000 -0.05911 50 11D 0 0.00001 0.00963 0.00000 0.00000 0.00000 51 11D+1 0.00000 0.00000 -0.00851 0.00000 -0.02849 52 11D-1 0.00000 0.00000 0.00000 -0.00851 0.00000 53 11D+2 0.00000 0.00000 0.00000 0.04206 0.00000 54 11D-2 0.00000 0.00000 0.04206 0.00000 -0.03370 55 3 H 1S 0.11876 0.14760 0.00000 0.24930 0.00000 56 2S 0.03868 0.05959 0.00000 0.07856 0.00000 57 3S 0.00919 0.01596 0.00000 -0.01298 0.00000 58 4PX 0.00000 0.00000 0.00332 0.00000 0.00316 59 4PY -0.01183 -0.01264 0.00000 -0.01155 0.00000 60 4PZ -0.00569 -0.00359 0.00000 -0.00558 0.00000 61 5PX 0.00000 0.00000 0.00636 0.00000 -0.00245 62 5PY -0.00077 -0.00215 0.00000 0.00216 0.00000 63 5PZ 0.00202 -0.00548 0.00000 0.00862 0.00000 64 4 H 1S 0.11876 0.14760 -0.21590 -0.12465 -0.22889 65 2S 0.03868 0.05959 -0.06803 -0.03928 -0.05877 66 3S 0.00919 0.01596 0.01124 0.00649 0.00205 67 4PX 0.01024 0.01095 -0.00783 -0.00644 -0.00795 68 4PY 0.00591 0.00632 -0.00644 -0.00040 -0.00642 69 4PZ -0.00569 -0.00359 0.00483 0.00279 0.00576 70 5PX 0.00067 0.00186 0.00321 -0.00182 0.00764 71 5PY 0.00039 0.00107 -0.00182 0.00531 0.00582 72 5PZ 0.00202 -0.00548 -0.00747 -0.00431 -0.01619 73 5 H 1S 0.11876 0.14760 0.21590 -0.12465 0.22889 74 2S 0.03868 0.05959 0.06803 -0.03928 0.05877 75 3S 0.00919 0.01596 -0.01124 0.00649 -0.00205 76 4PX -0.01024 -0.01095 -0.00783 0.00644 -0.00795 77 4PY 0.00591 0.00632 0.00644 -0.00040 0.00642 78 4PZ -0.00569 -0.00359 -0.00483 0.00279 -0.00576 79 5PX -0.00067 -0.00186 0.00321 0.00182 0.00764 80 5PY 0.00039 0.00107 0.00182 0.00531 -0.00582 81 5PZ 0.00202 -0.00548 0.00747 -0.00431 0.01619 82 6 H 1S 0.11876 -0.14760 0.00000 -0.24930 0.00000 83 2S 0.03868 -0.05959 0.00000 -0.07856 0.00000 84 3S 0.00919 -0.01596 0.00000 0.01298 0.00000 85 4PX 0.00000 0.00000 0.00332 0.00000 -0.00316 86 4PY 0.01183 -0.01264 0.00000 -0.01155 0.00000 87 4PZ 0.00569 -0.00359 0.00000 -0.00558 0.00000 88 5PX 0.00000 0.00000 0.00636 0.00000 0.00245 89 5PY 0.00077 -0.00215 0.00000 0.00216 0.00000 90 5PZ -0.00202 -0.00548 0.00000 0.00862 0.00000 91 7 H 1S 0.11876 -0.14760 -0.21590 0.12465 0.22889 92 2S 0.03868 -0.05959 -0.06803 0.03928 0.05877 93 3S 0.00919 -0.01596 0.01124 -0.00649 -0.00205 94 4PX 0.01024 -0.01095 -0.00783 0.00644 0.00795 95 4PY -0.00591 0.00632 0.00644 -0.00040 -0.00642 96 4PZ 0.00569 -0.00359 -0.00483 0.00279 0.00576 97 5PX 0.00067 -0.00186 0.00321 0.00182 -0.00764 98 5PY -0.00039 0.00107 0.00182 0.00531 0.00582 99 5PZ -0.00202 -0.00548 0.00747 -0.00431 -0.01619 100 8 H 1S 0.11876 -0.14760 0.21590 0.12465 -0.22889 101 2S 0.03868 -0.05959 0.06803 0.03928 -0.05877 102 3S 0.00919 -0.01596 -0.01124 -0.00649 0.00205 103 4PX -0.01024 0.01095 -0.00783 -0.00644 0.00795 104 4PY -0.00591 0.00632 -0.00644 -0.00040 0.00642 105 4PZ 0.00569 -0.00359 0.00483 0.00279 -0.00576 106 5PX -0.00067 0.00186 0.00321 -0.00182 -0.00764 107 5PY -0.00039 0.00107 -0.00182 0.00531 -0.00582 108 5PZ -0.00202 -0.00548 -0.00747 -0.00431 0.01619 16 17 18 19 20 (EG)--O (A1G)--O (A1G)--V (A2U)--V (EU)--V Eigenvalues -- -0.47125 -0.40418 0.03921 0.04148 0.06464 1 1 Si 1S 0.00000 -0.00804 0.01016 0.00885 0.00000 2 2S 0.00000 0.03440 -0.01182 -0.03941 0.00000 3 3S 0.00000 -0.06177 0.14862 0.06667 0.00000 4 4S 0.00000 -0.07557 -0.31802 -0.32030 0.00000 5 5S 0.00000 0.02709 3.00687 5.51775 0.00000 6 6PX 0.00000 0.00000 0.00000 0.00000 0.01693 7 6PY -0.11006 0.00000 0.00000 0.00000 0.00000 8 6PZ 0.00000 -0.15415 -0.01963 0.00761 0.00000 9 7PX 0.00000 0.00000 0.00000 0.00000 -0.05032 10 7PY 0.23106 0.00000 0.00000 0.00000 0.00000 11 7PZ 0.00000 0.33649 0.04186 -0.00029 0.00000 12 8PX 0.00000 0.00000 0.00000 0.00000 -0.46359 13 8PY 0.25686 0.00000 0.00000 0.00000 0.00000 14 8PZ 0.00000 0.22156 0.07497 -1.15459 0.00000 15 9PX 0.00000 0.00000 0.00000 0.00000 1.34202 16 9PY 0.00563 0.00000 0.00000 0.00000 0.00000 17 9PZ 0.00000 -0.00551 0.35885 -1.72740 0.00000 18 10D 0 0.00000 -0.07780 0.00472 -0.00004 0.00000 19 10D+1 0.00000 0.00000 0.00000 0.00000 -0.04269 20 10D-1 0.04872 0.00000 0.00000 0.00000 0.00000 21 10D+2 -0.05911 0.00000 0.00000 0.00000 0.00000 22 10D-2 0.00000 0.00000 0.00000 0.00000 0.04747 23 11D 0 0.00000 -0.02247 0.03394 0.33198 0.00000 24 11D+1 0.00000 0.00000 0.00000 0.00000 -0.06290 25 11D-1 -0.02849 0.00000 0.00000 0.00000 0.00000 26 11D+2 -0.03370 0.00000 0.00000 0.00000 0.00000 27 11D-2 0.00000 0.00000 0.00000 0.00000 -0.08874 28 2 Si 1S 0.00000 -0.00804 0.01016 -0.00885 0.00000 29 2S 0.00000 0.03440 -0.01182 0.03941 0.00000 30 3S 0.00000 -0.06177 0.14862 -0.06667 0.00000 31 4S 0.00000 -0.07557 -0.31802 0.32030 0.00000 32 5S 0.00000 0.02709 3.00687 -5.51775 0.00000 33 6PX 0.00000 0.00000 0.00000 0.00000 0.01693 34 6PY 0.11006 0.00000 0.00000 0.00000 0.00000 35 6PZ 0.00000 0.15415 0.01963 0.00761 0.00000 36 7PX 0.00000 0.00000 0.00000 0.00000 -0.05032 37 7PY -0.23106 0.00000 0.00000 0.00000 0.00000 38 7PZ 0.00000 -0.33649 -0.04186 -0.00029 0.00000 39 8PX 0.00000 0.00000 0.00000 0.00000 -0.46359 40 8PY -0.25686 0.00000 0.00000 0.00000 0.00000 41 8PZ 0.00000 -0.22156 -0.07497 -1.15459 0.00000 42 9PX 0.00000 0.00000 0.00000 0.00000 1.34202 43 9PY -0.00563 0.00000 0.00000 0.00000 0.00000 44 9PZ 0.00000 0.00551 -0.35885 -1.72740 0.00000 45 10D 0 0.00000 -0.07780 0.00472 0.00004 0.00000 46 10D+1 0.00000 0.00000 0.00000 0.00000 0.04269 47 10D-1 0.04872 0.00000 0.00000 0.00000 0.00000 48 10D+2 -0.05911 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 0.00000 0.00000 0.00000 -0.04747 50 11D 0 0.00000 -0.02247 0.03394 -0.33198 0.00000 51 11D+1 0.00000 0.00000 0.00000 0.00000 0.06290 52 11D-1 -0.02849 0.00000 0.00000 0.00000 0.00000 53 11D+2 -0.03370 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 0.00000 0.00000 0.00000 0.08874 55 3 H 1S 0.26430 0.10627 0.01067 0.00202 0.00000 56 2S 0.06786 0.06818 0.00489 0.28525 0.00000 57 3S -0.00237 -0.00373 -1.17224 -0.46391 0.00000 58 4PX 0.00000 0.00000 0.00000 0.00000 0.00069 59 4PY -0.01165 -0.00562 -0.00520 -0.00126 0.00000 60 4PZ -0.00665 0.00370 -0.00158 -0.00260 0.00000 61 5PX 0.00000 0.00000 0.00000 0.00000 0.07279 62 5PY 0.01100 -0.00163 -0.00230 -0.11200 0.00000 63 5PZ 0.01870 -0.00226 0.02173 -0.01026 0.00000 64 4 H 1S -0.13215 0.10627 0.01067 0.00202 0.04732 65 2S -0.03393 0.06818 0.00489 0.28525 -0.12000 66 3S 0.00118 -0.00373 -1.17224 -0.46391 1.00500 67 4PX -0.00642 0.00487 0.00450 0.00109 0.00371 68 4PY -0.00054 0.00281 0.00260 0.00063 0.00174 69 4PZ 0.00332 0.00370 -0.00158 -0.00260 0.00102 70 5PX 0.00582 0.00141 0.00199 0.09700 -0.08503 71 5PY 0.00092 0.00082 0.00115 0.05600 -0.09112 72 5PZ -0.00935 -0.00226 0.02173 -0.01026 0.02077 73 5 H 1S -0.13215 0.10627 0.01067 0.00202 -0.04732 74 2S -0.03393 0.06818 0.00489 0.28525 0.12000 75 3S 0.00118 -0.00373 -1.17224 -0.46391 -1.00500 76 4PX 0.00642 -0.00487 -0.00450 -0.00109 0.00371 77 4PY -0.00054 0.00281 0.00260 0.00063 -0.00174 78 4PZ 0.00332 0.00370 -0.00158 -0.00260 -0.00102 79 5PX -0.00582 -0.00141 -0.00199 -0.09700 -0.08503 80 5PY 0.00092 0.00082 0.00115 0.05600 0.09112 81 5PZ -0.00935 -0.00226 0.02173 -0.01026 -0.02077 82 6 H 1S 0.26430 0.10627 0.01067 -0.00202 0.00000 83 2S 0.06786 0.06818 0.00489 -0.28525 0.00000 84 3S -0.00237 -0.00373 -1.17224 0.46391 0.00000 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00069 86 4PY 0.01165 0.00562 0.00520 -0.00126 0.00000 87 4PZ 0.00665 -0.00370 0.00158 -0.00260 0.00000 88 5PX 0.00000 0.00000 0.00000 0.00000 0.07279 89 5PY -0.01100 0.00163 0.00230 -0.11200 0.00000 90 5PZ -0.01870 0.00226 -0.02173 -0.01026 0.00000 91 7 H 1S -0.13215 0.10627 0.01067 -0.00202 0.04732 92 2S -0.03393 0.06818 0.00489 -0.28525 -0.12000 93 3S 0.00118 -0.00373 -1.17224 0.46391 1.00500 94 4PX -0.00642 0.00487 0.00450 -0.00109 0.00371 95 4PY 0.00054 -0.00281 -0.00260 0.00063 -0.00174 96 4PZ -0.00332 -0.00370 0.00158 -0.00260 -0.00102 97 5PX 0.00582 0.00141 0.00199 -0.09700 -0.08503 98 5PY -0.00092 -0.00082 -0.00115 0.05600 0.09112 99 5PZ 0.00935 0.00226 -0.02173 -0.01026 -0.02077 100 8 H 1S -0.13215 0.10627 0.01067 -0.00202 -0.04732 101 2S -0.03393 0.06818 0.00489 -0.28525 0.12000 102 3S 0.00118 -0.00373 -1.17224 0.46391 -1.00500 103 4PX 0.00642 -0.00487 -0.00450 0.00109 0.00371 104 4PY 0.00054 -0.00281 -0.00260 0.00063 0.00174 105 4PZ -0.00332 -0.00370 0.00158 -0.00260 0.00102 106 5PX -0.00582 -0.00141 -0.00199 0.09700 -0.08503 107 5PY -0.00092 -0.00082 -0.00115 0.05600 -0.09112 108 5PZ 0.00935 0.00226 -0.02173 -0.01026 0.02077 21 22 23 24 25 (EU)--V (EG)--V (EG)--V (A1G)--V (EG)--V Eigenvalues -- 0.06464 0.07164 0.07164 0.07454 0.08900 1 1 Si 1S 0.00000 0.00000 0.00000 0.00386 0.00000 2 2S 0.00000 0.00000 0.00000 -0.01588 0.00000 3 3S 0.00000 0.00000 0.00000 0.03220 0.00000 4 4S 0.00000 0.00000 0.00000 -0.05729 0.00000 5 5S 0.00000 0.00000 0.00000 1.04098 0.00000 6 6PX 0.00000 -0.00689 0.00000 0.00000 -0.03170 7 6PY 0.01693 0.00000 -0.00689 0.00000 0.00000 8 6PZ 0.00000 0.00000 0.00000 0.01204 0.00000 9 7PX 0.00000 0.01469 0.00000 0.00000 0.10193 10 7PY -0.05032 0.00000 0.01469 0.00000 0.00000 11 7PZ 0.00000 0.00000 0.00000 -0.03363 0.00000 12 8PX 0.00000 0.31472 0.00000 0.00000 1.03376 13 8PY -0.46359 0.00000 0.31472 0.00000 0.00000 14 8PZ 0.00000 0.00000 0.00000 -0.18377 0.00000 15 9PX 0.00000 4.03605 0.00000 0.00000 0.76907 16 9PY 1.34202 0.00000 4.03605 0.00000 0.00000 17 9PZ 0.00000 0.00000 0.00000 1.44568 0.00000 18 10D 0 0.00000 0.00000 0.00000 0.06135 0.00000 19 10D+1 0.00000 0.00738 0.00000 0.00000 0.01940 20 10D-1 -0.04269 0.00000 0.00738 0.00000 0.00000 21 10D+2 0.04747 0.00000 0.03825 0.00000 0.00000 22 10D-2 0.00000 0.03825 0.00000 0.00000 -0.02288 23 11D 0 0.00000 0.00000 0.00000 -0.11079 0.00000 24 11D+1 0.00000 -0.22883 0.00000 0.00000 0.24018 25 11D-1 -0.06290 0.00000 -0.22883 0.00000 0.00000 26 11D+2 -0.08874 0.00000 -0.16534 0.00000 0.00000 27 11D-2 0.00000 -0.16534 0.00000 0.00000 -0.17092 28 2 Si 1S 0.00000 0.00000 0.00000 0.00386 0.00000 29 2S 0.00000 0.00000 0.00000 -0.01588 0.00000 30 3S 0.00000 0.00000 0.00000 0.03220 0.00000 31 4S 0.00000 0.00000 0.00000 -0.05729 0.00000 32 5S 0.00000 0.00000 0.00000 1.04098 0.00000 33 6PX 0.00000 0.00689 0.00000 0.00000 0.03170 34 6PY 0.01693 0.00000 0.00689 0.00000 0.00000 35 6PZ 0.00000 0.00000 0.00000 -0.01204 0.00000 36 7PX 0.00000 -0.01469 0.00000 0.00000 -0.10193 37 7PY -0.05032 0.00000 -0.01469 0.00000 0.00000 38 7PZ 0.00000 0.00000 0.00000 0.03363 0.00000 39 8PX 0.00000 -0.31472 0.00000 0.00000 -1.03376 40 8PY -0.46359 0.00000 -0.31472 0.00000 0.00000 41 8PZ 0.00000 0.00000 0.00000 0.18377 0.00000 42 9PX 0.00000 -4.03605 0.00000 0.00000 -0.76907 43 9PY 1.34202 0.00000 -4.03605 0.00000 0.00000 44 9PZ 0.00000 0.00000 0.00000 -1.44568 0.00000 45 10D 0 0.00000 0.00000 0.00000 0.06135 0.00000 46 10D+1 0.00000 0.00738 0.00000 0.00000 0.01940 47 10D-1 0.04269 0.00000 0.00738 0.00000 0.00000 48 10D+2 -0.04747 0.00000 0.03825 0.00000 0.00000 49 10D-2 0.00000 0.03825 0.00000 0.00000 -0.02288 50 11D 0 0.00000 0.00000 0.00000 -0.11079 0.00000 51 11D+1 0.00000 -0.22883 0.00000 0.00000 0.24018 52 11D-1 0.06290 0.00000 -0.22883 0.00000 0.00000 53 11D+2 0.08874 0.00000 -0.16534 0.00000 0.00000 54 11D-2 0.00000 -0.16534 0.00000 0.00000 -0.17092 55 3 H 1S -0.05464 0.00000 -0.01872 -0.02337 0.00000 56 2S 0.13856 0.00000 -0.19854 0.00602 0.00000 57 3S -1.16047 0.00000 -3.45532 -0.23049 0.00000 58 4PX 0.00000 0.00293 0.00000 0.00000 0.00283 59 4PY 0.00472 0.00000 -0.00040 -0.00089 0.00000 60 4PZ -0.00118 0.00000 -0.00236 0.00414 0.00000 61 5PX 0.00000 0.05018 0.00000 0.00000 -0.05895 62 5PY -0.13764 0.00000 0.00038 -0.04820 0.00000 63 5PZ -0.02398 0.00000 0.10636 -0.01364 0.00000 64 4 H 1S 0.02732 0.01621 0.00936 -0.02337 -0.02881 65 2S -0.06928 0.17194 0.09927 0.00602 0.60204 66 3S 0.58024 2.99240 1.72766 -0.23049 2.44103 67 4PX 0.00174 0.00044 -0.00144 0.00077 -0.00589 68 4PY 0.00169 -0.00144 0.00210 0.00044 -0.00503 69 4PZ 0.00059 0.00204 0.00118 0.00414 0.00224 70 5PX -0.09112 0.01283 -0.02156 0.04175 0.16685 71 5PY 0.02018 -0.02156 0.03773 0.02410 0.13036 72 5PZ 0.01199 -0.09211 -0.05318 -0.01364 -0.07210 73 5 H 1S 0.02732 -0.01621 0.00936 -0.02337 0.02881 74 2S -0.06928 -0.17194 0.09927 0.00602 -0.60204 75 3S 0.58024 -2.99240 1.72766 -0.23049 -2.44103 76 4PX -0.00174 0.00044 0.00144 -0.00077 -0.00589 77 4PY 0.00169 0.00144 0.00210 0.00044 0.00503 78 4PZ 0.00059 -0.00204 0.00118 0.00414 -0.00224 79 5PX 0.09112 0.01283 0.02156 -0.04175 0.16685 80 5PY 0.02018 0.02156 0.03773 0.02410 -0.13036 81 5PZ 0.01199 0.09211 -0.05318 -0.01364 0.07210 82 6 H 1S 0.05464 0.00000 -0.01872 -0.02337 0.00000 83 2S -0.13856 0.00000 -0.19854 0.00602 0.00000 84 3S 1.16047 0.00000 -3.45532 -0.23049 0.00000 85 4PX 0.00000 -0.00293 0.00000 0.00000 -0.00283 86 4PY 0.00472 0.00000 0.00040 0.00089 0.00000 87 4PZ -0.00118 0.00000 0.00236 -0.00414 0.00000 88 5PX 0.00000 -0.05018 0.00000 0.00000 0.05895 89 5PY -0.13764 0.00000 -0.00038 0.04820 0.00000 90 5PZ -0.02398 0.00000 -0.10636 0.01364 0.00000 91 7 H 1S -0.02732 -0.01621 0.00936 -0.02337 0.02881 92 2S 0.06928 -0.17194 0.09927 0.00602 -0.60204 93 3S -0.58024 -2.99240 1.72766 -0.23049 -2.44103 94 4PX -0.00174 -0.00044 -0.00144 0.00077 0.00589 95 4PY 0.00169 -0.00144 -0.00210 -0.00044 -0.00503 96 4PZ 0.00059 0.00204 -0.00118 -0.00414 0.00224 97 5PX 0.09112 -0.01283 -0.02156 0.04175 -0.16685 98 5PY 0.02018 -0.02156 -0.03773 -0.02410 0.13036 99 5PZ 0.01199 -0.09211 0.05318 0.01364 -0.07210 100 8 H 1S -0.02732 0.01621 0.00936 -0.02337 -0.02881 101 2S 0.06928 0.17194 0.09927 0.00602 0.60204 102 3S -0.58024 2.99240 1.72766 -0.23049 2.44103 103 4PX 0.00174 -0.00044 0.00144 -0.00077 0.00589 104 4PY 0.00169 0.00144 -0.00210 -0.00044 0.00503 105 4PZ 0.00059 -0.00204 -0.00118 -0.00414 -0.00224 106 5PX -0.09112 -0.01283 0.02156 -0.04175 -0.16685 107 5PY 0.02018 0.02156 -0.03773 -0.02410 -0.13036 108 5PZ 0.01199 0.09211 0.05318 0.01364 0.07210 26 27 28 29 30 (EG)--V (EU)--V (EU)--V (A2U)--V (A2U)--V Eigenvalues -- 0.08900 0.10226 0.10226 0.10294 0.14010 1 1 Si 1S 0.00000 0.00000 0.00000 0.00555 -0.02114 2 2S 0.00000 0.00000 0.00000 -0.00551 0.07945 3 3S 0.00000 0.00000 0.00000 0.08377 -0.19653 4 4S 0.00000 0.00000 0.00000 -0.23749 -1.71532 5 5S 0.00000 0.00000 0.00000 5.67412 10.75670 6 6PX 0.00000 0.00000 -0.04374 0.00000 0.00000 7 6PY 0.03170 0.04374 0.00000 0.00000 0.00000 8 6PZ 0.00000 0.00000 0.00000 -0.02015 -0.05416 9 7PX 0.00000 0.00000 0.11684 0.00000 0.00000 10 7PY -0.10193 -0.11684 0.00000 0.00000 0.00000 11 7PZ 0.00000 0.00000 0.00000 0.05409 0.16011 12 8PX 0.00000 0.00000 0.94499 0.00000 0.00000 13 8PY -1.03376 -0.94499 0.00000 0.00000 0.00000 14 8PZ 0.00000 0.00000 0.00000 0.01453 -2.63235 15 9PX 0.00000 0.00000 3.04661 0.00000 0.00000 16 9PY -0.76907 -3.04661 0.00000 0.00000 0.00000 17 9PZ 0.00000 0.00000 0.00000 4.25214 -1.97195 18 10D 0 0.00000 0.00000 0.00000 0.03676 0.10841 19 10D+1 0.00000 0.00000 -0.03142 0.00000 0.00000 20 10D-1 -0.01940 0.03142 0.00000 0.00000 0.00000 21 10D+2 0.02288 -0.00871 0.00000 0.00000 0.00000 22 10D-2 0.00000 0.00000 0.00871 0.00000 0.00000 23 11D 0 0.00000 0.00000 0.00000 -0.07554 0.91751 24 11D+1 0.00000 0.00000 0.13196 0.00000 0.00000 25 11D-1 -0.24018 -0.13196 0.00000 0.00000 0.00000 26 11D+2 0.17092 0.29348 0.00000 0.00000 0.00000 27 11D-2 0.00000 0.00000 -0.29348 0.00000 0.00000 28 2 Si 1S 0.00000 0.00000 0.00000 -0.00555 0.02114 29 2S 0.00000 0.00000 0.00000 0.00551 -0.07945 30 3S 0.00000 0.00000 0.00000 -0.08377 0.19653 31 4S 0.00000 0.00000 0.00000 0.23749 1.71532 32 5S 0.00000 0.00000 0.00000 -5.67412 -10.75670 33 6PX 0.00000 0.00000 -0.04374 0.00000 0.00000 34 6PY -0.03170 0.04374 0.00000 0.00000 0.00000 35 6PZ 0.00000 0.00000 0.00000 -0.02015 -0.05416 36 7PX 0.00000 0.00000 0.11684 0.00000 0.00000 37 7PY 0.10193 -0.11684 0.00000 0.00000 0.00000 38 7PZ 0.00000 0.00000 0.00000 0.05409 0.16011 39 8PX 0.00000 0.00000 0.94499 0.00000 0.00000 40 8PY 1.03376 -0.94499 0.00000 0.00000 0.00000 41 8PZ 0.00000 0.00000 0.00000 0.01453 -2.63235 42 9PX 0.00000 0.00000 3.04661 0.00000 0.00000 43 9PY 0.76907 -3.04661 0.00000 0.00000 0.00000 44 9PZ 0.00000 0.00000 0.00000 4.25214 -1.97195 45 10D 0 0.00000 0.00000 0.00000 -0.03676 -0.10841 46 10D+1 0.00000 0.00000 0.03142 0.00000 0.00000 47 10D-1 -0.01940 -0.03142 0.00000 0.00000 0.00000 48 10D+2 0.02288 0.00871 0.00000 0.00000 0.00000 49 10D-2 0.00000 0.00000 -0.00871 0.00000 0.00000 50 11D 0 0.00000 0.00000 0.00000 0.07554 -0.91751 51 11D+1 0.00000 0.00000 -0.13196 0.00000 0.00000 52 11D-1 -0.24018 0.13196 0.00000 0.00000 0.00000 53 11D+2 0.17092 -0.29348 0.00000 0.00000 0.00000 54 11D-2 0.00000 0.00000 0.29348 0.00000 0.00000 55 3 H 1S -0.03327 0.04212 0.00000 -0.01599 0.00059 56 2S 0.69518 0.75023 0.00000 -0.01348 0.77028 57 3S 2.81866 5.87698 0.00000 -4.31074 -0.85417 58 4PX 0.00000 0.00000 0.00412 0.00000 0.00000 59 4PY 0.00879 0.00421 0.00000 -0.00573 0.00465 60 4PZ 0.00259 0.00561 0.00000 0.00107 0.00843 61 5PX 0.00000 0.00000 0.00993 0.00000 0.00000 62 5PY -0.24211 -0.18244 0.00000 0.00077 -0.29722 63 5PZ -0.08326 -0.06921 0.00000 0.01583 0.01602 64 4 H 1S 0.01664 -0.02106 0.03647 -0.01599 0.00059 65 2S -0.34759 -0.37512 0.64972 -0.01348 0.77028 66 3S -1.40933 -2.93849 5.08961 -4.31074 -0.85417 67 4PX 0.00503 0.00361 -0.00213 0.00496 -0.00403 68 4PY 0.00008 -0.00204 -0.00361 0.00287 -0.00233 69 4PZ -0.00129 -0.00280 0.00486 0.00107 0.00843 70 5PX -0.13036 -0.07470 0.13931 -0.00067 0.25740 71 5PY -0.01632 -0.05306 0.07470 -0.00039 0.14861 72 5PZ 0.04163 0.03461 -0.05994 0.01583 0.01602 73 5 H 1S 0.01664 -0.02106 -0.03647 -0.01599 0.00059 74 2S -0.34759 -0.37512 -0.64972 -0.01348 0.77028 75 3S -1.40933 -2.93849 -5.08961 -4.31074 -0.85417 76 4PX -0.00503 -0.00361 -0.00213 -0.00496 0.00403 77 4PY 0.00008 -0.00204 0.00361 0.00287 -0.00233 78 4PZ -0.00129 -0.00280 -0.00486 0.00107 0.00843 79 5PX 0.13036 0.07470 0.13931 0.00067 -0.25740 80 5PY -0.01632 -0.05306 -0.07470 -0.00039 0.14861 81 5PZ 0.04163 0.03461 0.05994 0.01583 0.01602 82 6 H 1S -0.03327 -0.04212 0.00000 0.01599 -0.00059 83 2S 0.69518 -0.75023 0.00000 0.01348 -0.77028 84 3S 2.81866 -5.87698 0.00000 4.31074 0.85417 85 4PX 0.00000 0.00000 0.00412 0.00000 0.00000 86 4PY -0.00879 0.00421 0.00000 -0.00573 0.00465 87 4PZ -0.00259 0.00561 0.00000 0.00107 0.00843 88 5PX 0.00000 0.00000 0.00993 0.00000 0.00000 89 5PY 0.24211 -0.18244 0.00000 0.00077 -0.29722 90 5PZ 0.08326 -0.06921 0.00000 0.01583 0.01602 91 7 H 1S 0.01664 0.02106 0.03647 0.01599 -0.00059 92 2S -0.34759 0.37512 0.64972 0.01348 -0.77028 93 3S -1.40933 2.93849 5.08961 4.31074 0.85417 94 4PX 0.00503 -0.00361 -0.00213 -0.00496 0.00403 95 4PY -0.00008 -0.00204 0.00361 0.00287 -0.00233 96 4PZ 0.00129 -0.00280 -0.00486 0.00107 0.00843 97 5PX -0.13036 0.07470 0.13931 0.00067 -0.25740 98 5PY 0.01632 -0.05306 -0.07470 -0.00039 0.14861 99 5PZ -0.04163 0.03461 0.05994 0.01583 0.01602 100 8 H 1S 0.01664 0.02106 -0.03647 0.01599 -0.00059 101 2S -0.34759 0.37512 -0.64972 0.01348 -0.77028 102 3S -1.40933 2.93849 -5.08961 4.31074 0.85417 103 4PX -0.00503 0.00361 -0.00213 0.00496 -0.00403 104 4PY -0.00008 -0.00204 -0.00361 0.00287 -0.00233 105 4PZ 0.00129 -0.00280 0.00486 0.00107 0.00843 106 5PX 0.13036 -0.07470 0.13931 -0.00067 0.25740 107 5PY 0.01632 -0.05306 0.07470 -0.00039 0.14861 108 5PZ -0.04163 0.03461 -0.05994 0.01583 0.01602 31 32 33 34 35 (EU)--V (EU)--V (A1G)--V (EG)--V (EG)--V Eigenvalues -- 0.15906 0.15906 0.16539 0.19544 0.19544 1 1 Si 1S 0.00000 0.00000 -0.01468 0.00000 0.00000 2 2S 0.00000 0.00000 0.14312 0.00000 0.00000 3 3S 0.00000 0.00000 0.05066 0.00000 0.00000 4 4S 0.00000 0.00000 -2.44202 0.00000 0.00000 5 5S 0.00000 0.00000 6.43082 0.00000 0.00000 6 6PX 0.04848 0.00000 0.00000 0.04790 0.00000 7 6PY 0.00000 -0.04848 0.00000 0.00000 -0.04790 8 6PZ 0.00000 0.00000 0.02533 0.00000 0.00000 9 7PX -0.07787 0.00000 0.00000 -0.09452 0.00000 10 7PY 0.00000 0.07787 0.00000 0.00000 0.09452 11 7PZ 0.00000 0.00000 -0.06414 0.00000 0.00000 12 8PX 0.56727 0.00000 0.00000 1.27206 0.00000 13 8PY 0.00000 -0.56727 0.00000 0.00000 -1.27206 14 8PZ 0.00000 0.00000 -0.33429 0.00000 0.00000 15 9PX 2.71739 0.00000 0.00000 2.93796 0.00000 16 9PY 0.00000 -2.71739 0.00000 0.00000 -2.93796 17 9PZ 0.00000 0.00000 0.96596 0.00000 0.00000 18 10D 0 0.00000 0.00000 -0.02870 0.00000 0.00000 19 10D+1 0.12701 0.00000 0.00000 0.01084 0.00000 20 10D-1 0.00000 -0.12701 0.00000 0.00000 -0.01084 21 10D+2 0.00000 0.06906 0.00000 0.00000 0.11771 22 10D-2 -0.06906 0.00000 0.00000 -0.11771 0.00000 23 11D 0 0.00000 0.00000 -0.07220 0.00000 0.00000 24 11D+1 0.48320 0.00000 0.00000 -0.61124 0.00000 25 11D-1 0.00000 -0.48320 0.00000 0.00000 0.61124 26 11D+2 0.00000 0.64521 0.00000 0.00000 0.97113 27 11D-2 -0.64521 0.00000 0.00000 -0.97113 0.00000 28 2 Si 1S 0.00000 0.00000 -0.01468 0.00000 0.00000 29 2S 0.00000 0.00000 0.14312 0.00000 0.00000 30 3S 0.00000 0.00000 0.05066 0.00000 0.00000 31 4S 0.00000 0.00000 -2.44202 0.00000 0.00000 32 5S 0.00000 0.00000 6.43082 0.00000 0.00000 33 6PX 0.04848 0.00000 0.00000 -0.04790 0.00000 34 6PY 0.00000 -0.04848 0.00000 0.00000 0.04790 35 6PZ 0.00000 0.00000 -0.02533 0.00000 0.00000 36 7PX -0.07787 0.00000 0.00000 0.09452 0.00000 37 7PY 0.00000 0.07787 0.00000 0.00000 -0.09452 38 7PZ 0.00000 0.00000 0.06414 0.00000 0.00000 39 8PX 0.56727 0.00000 0.00000 -1.27206 0.00000 40 8PY 0.00000 -0.56727 0.00000 0.00000 1.27206 41 8PZ 0.00000 0.00000 0.33429 0.00000 0.00000 42 9PX 2.71739 0.00000 0.00000 -2.93796 0.00000 43 9PY 0.00000 -2.71739 0.00000 0.00000 2.93796 44 9PZ 0.00000 0.00000 -0.96596 0.00000 0.00000 45 10D 0 0.00000 0.00000 -0.02870 0.00000 0.00000 46 10D+1 -0.12701 0.00000 0.00000 0.01084 0.00000 47 10D-1 0.00000 0.12701 0.00000 0.00000 -0.01084 48 10D+2 0.00000 -0.06906 0.00000 0.00000 0.11771 49 10D-2 0.06906 0.00000 0.00000 -0.11771 0.00000 50 11D 0 0.00000 0.00000 -0.07220 0.00000 0.00000 51 11D+1 -0.48320 0.00000 0.00000 -0.61124 0.00000 52 11D-1 0.00000 0.48320 0.00000 0.00000 0.61124 53 11D+2 0.00000 -0.64521 0.00000 0.00000 0.97113 54 11D-2 0.64521 0.00000 0.00000 -0.97113 0.00000 55 3 H 1S 0.00000 -0.14712 0.02167 0.00000 -0.07699 56 2S 0.00000 0.63883 0.19260 0.00000 0.95049 57 3S 0.00000 4.87061 -1.77684 0.00000 3.09037 58 4PX -0.00575 0.00000 0.00000 -0.01588 0.00000 59 4PY 0.00000 0.00429 0.00772 0.00000 -0.00521 60 4PZ 0.00000 -0.00125 -0.00292 0.00000 0.00926 61 5PX 0.01237 0.00000 0.00000 0.05698 0.00000 62 5PY 0.00000 -0.17645 -0.07372 0.00000 -0.17073 63 5PZ 0.00000 -0.12762 -0.00682 0.00000 -0.34692 64 4 H 1S -0.12741 0.07356 0.02167 -0.06667 0.03849 65 2S 0.55324 -0.31941 0.19260 0.82315 -0.47524 66 3S 4.21807 -2.43531 -1.77684 2.67634 -1.54519 67 4PX -0.00465 -0.00063 -0.00668 -0.00007 -0.00913 68 4PY 0.00063 0.00538 -0.00386 0.00913 0.01061 69 4PZ -0.00108 0.00063 -0.00292 0.00802 -0.00463 70 5PX 0.13543 -0.07105 0.06385 0.14229 -0.04926 71 5PY 0.07105 -0.05339 0.03686 0.04926 -0.08542 72 5PZ -0.11052 0.06381 -0.00682 -0.30044 0.17346 73 5 H 1S 0.12741 0.07356 0.02167 0.06667 0.03849 74 2S -0.55324 -0.31941 0.19260 -0.82315 -0.47524 75 3S -4.21807 -2.43531 -1.77684 -2.67634 -1.54519 76 4PX -0.00465 0.00063 0.00668 -0.00007 0.00913 77 4PY -0.00063 0.00538 -0.00386 -0.00913 0.01061 78 4PZ 0.00108 0.00063 -0.00292 -0.00802 -0.00463 79 5PX 0.13543 0.07105 -0.06385 0.14229 0.04926 80 5PY -0.07105 -0.05339 0.03686 -0.04926 -0.08542 81 5PZ 0.11052 0.06381 -0.00682 0.30044 0.17346 82 6 H 1S 0.00000 0.14712 0.02167 0.00000 -0.07699 83 2S 0.00000 -0.63883 0.19260 0.00000 0.95049 84 3S 0.00000 -4.87061 -1.77684 0.00000 3.09037 85 4PX -0.00575 0.00000 0.00000 0.01588 0.00000 86 4PY 0.00000 0.00429 -0.00772 0.00000 0.00521 87 4PZ 0.00000 -0.00125 0.00292 0.00000 -0.00926 88 5PX 0.01237 0.00000 0.00000 -0.05698 0.00000 89 5PY 0.00000 -0.17645 0.07372 0.00000 0.17073 90 5PZ 0.00000 -0.12762 0.00682 0.00000 0.34692 91 7 H 1S -0.12741 -0.07356 0.02167 0.06667 0.03849 92 2S 0.55324 0.31941 0.19260 -0.82315 -0.47524 93 3S 4.21807 2.43531 -1.77684 -2.67634 -1.54519 94 4PX -0.00465 0.00063 -0.00668 0.00007 -0.00913 95 4PY -0.00063 0.00538 0.00386 0.00913 -0.01061 96 4PZ 0.00108 0.00063 0.00292 0.00802 0.00463 97 5PX 0.13543 0.07105 0.06385 -0.14229 -0.04926 98 5PY -0.07105 -0.05339 -0.03686 0.04926 0.08542 99 5PZ 0.11052 0.06381 0.00682 -0.30044 -0.17346 100 8 H 1S 0.12741 -0.07356 0.02167 -0.06667 0.03849 101 2S -0.55324 0.31941 0.19260 0.82315 -0.47524 102 3S -4.21807 2.43531 -1.77684 2.67634 -1.54519 103 4PX -0.00465 -0.00063 0.00668 0.00007 0.00913 104 4PY 0.00063 0.00538 0.00386 -0.00913 -0.01061 105 4PZ -0.00108 0.00063 0.00292 -0.00802 0.00463 106 5PX 0.13543 -0.07105 -0.06385 -0.14229 0.04926 107 5PY 0.07105 -0.05339 -0.03686 -0.04926 0.08542 108 5PZ -0.11052 0.06381 0.00682 0.30044 -0.17346 36 37 38 39 40 (A2U)--V (EU)--V (EU)--V (A1G)--V (A2U)--V Eigenvalues -- 0.21677 0.23825 0.23825 0.24672 0.28943 1 1 Si 1S -0.00308 0.00000 0.00000 0.00722 0.02935 2 2S 0.06120 0.00000 0.00000 0.02369 -0.17370 3 3S 0.07380 0.00000 0.00000 0.17515 0.15067 4 4S -2.08159 0.00000 0.00000 -2.54585 0.07559 5 5S 10.18809 0.00000 0.00000 3.31377 6.39951 6 6PX 0.00000 -0.01755 0.00000 0.00000 0.00000 7 6PY 0.00000 0.00000 -0.01755 0.00000 0.00000 8 6PZ 0.08890 0.00000 0.00000 0.00192 0.03044 9 7PX 0.00000 0.04279 0.00000 0.00000 0.00000 10 7PY 0.00000 0.00000 0.04279 0.00000 0.00000 11 7PZ -0.18474 0.00000 0.00000 -0.02918 -0.06566 12 8PX 0.00000 1.04343 0.00000 0.00000 0.00000 13 8PY 0.00000 0.00000 1.04343 0.00000 0.00000 14 8PZ -1.47548 0.00000 0.00000 0.10656 -2.08840 15 9PX 0.00000 -0.75091 0.00000 0.00000 0.00000 16 9PY 0.00000 0.00000 -0.75091 0.00000 0.00000 17 9PZ 1.35365 0.00000 0.00000 -0.65037 -1.84550 18 10D 0 -0.04255 0.00000 0.00000 0.07454 0.02487 19 10D+1 0.00000 0.04855 0.00000 0.00000 0.00000 20 10D-1 0.00000 0.00000 0.04855 0.00000 0.00000 21 10D+2 0.00000 0.00000 0.04073 0.00000 0.00000 22 10D-2 0.00000 0.04073 0.00000 0.00000 0.00000 23 11D 0 -0.28271 0.00000 0.00000 0.96034 0.32126 24 11D+1 0.00000 0.72530 0.00000 0.00000 0.00000 25 11D-1 0.00000 0.00000 0.72530 0.00000 0.00000 26 11D+2 0.00000 0.00000 0.78840 0.00000 0.00000 27 11D-2 0.00000 0.78840 0.00000 0.00000 0.00000 28 2 Si 1S 0.00308 0.00000 0.00000 0.00722 -0.02935 29 2S -0.06120 0.00000 0.00000 0.02369 0.17370 30 3S -0.07380 0.00000 0.00000 0.17515 -0.15067 31 4S 2.08159 0.00000 0.00000 -2.54585 -0.07559 32 5S -10.18809 0.00000 0.00000 3.31377 -6.39951 33 6PX 0.00000 -0.01755 0.00000 0.00000 0.00000 34 6PY 0.00000 0.00000 -0.01755 0.00000 0.00000 35 6PZ 0.08890 0.00000 0.00000 -0.00192 0.03044 36 7PX 0.00000 0.04279 0.00000 0.00000 0.00000 37 7PY 0.00000 0.00000 0.04279 0.00000 0.00000 38 7PZ -0.18474 0.00000 0.00000 0.02918 -0.06566 39 8PX 0.00000 1.04343 0.00000 0.00000 0.00000 40 8PY 0.00000 0.00000 1.04343 0.00000 0.00000 41 8PZ -1.47548 0.00000 0.00000 -0.10656 -2.08840 42 9PX 0.00000 -0.75091 0.00000 0.00000 0.00000 43 9PY 0.00000 0.00000 -0.75091 0.00000 0.00000 44 9PZ 1.35365 0.00000 0.00000 0.65037 -1.84550 45 10D 0 0.04255 0.00000 0.00000 0.07454 -0.02487 46 10D+1 0.00000 -0.04855 0.00000 0.00000 0.00000 47 10D-1 0.00000 0.00000 -0.04855 0.00000 0.00000 48 10D+2 0.00000 0.00000 -0.04073 0.00000 0.00000 49 10D-2 0.00000 -0.04073 0.00000 0.00000 0.00000 50 11D 0 0.28271 0.00000 0.00000 0.96034 -0.32126 51 11D+1 0.00000 -0.72530 0.00000 0.00000 0.00000 52 11D-1 0.00000 0.00000 -0.72530 0.00000 0.00000 53 11D+2 0.00000 0.00000 -0.78840 0.00000 0.00000 54 11D-2 0.00000 -0.78840 0.00000 0.00000 0.00000 55 3 H 1S 0.02719 0.00000 -0.03751 -0.08822 -0.11589 56 2S 0.36464 0.00000 -0.57792 0.14259 -0.24802 57 3S -2.95939 0.00000 1.08466 -0.74923 0.31893 58 4PX 0.00000 0.02094 0.00000 0.00000 0.00000 59 4PY 0.00733 0.00000 -0.00012 0.00394 0.00732 60 4PZ -0.00772 0.00000 0.01230 0.00704 -0.00087 61 5PX 0.00000 -0.25817 0.00000 0.00000 0.00000 62 5PY -0.15543 0.00000 0.13997 -0.15323 -0.39195 63 5PZ -0.00610 0.00000 -0.07843 -0.03923 0.01991 64 4 H 1S 0.02719 0.03249 0.01876 -0.08822 -0.11589 65 2S 0.36464 0.50049 0.28896 0.14259 -0.24802 66 3S -2.95939 -0.93934 -0.54233 -0.74923 0.31893 67 4PX -0.00635 0.00514 -0.00912 -0.00342 -0.00634 68 4PY -0.00367 -0.00912 0.01567 -0.00197 -0.00366 69 4PZ -0.00772 -0.01065 -0.00615 0.00704 -0.00087 70 5PX 0.13461 0.04044 0.17240 0.13270 0.33944 71 5PY 0.07772 0.17240 -0.15864 0.07661 0.19597 72 5PZ -0.00610 0.06792 0.03921 -0.03923 0.01991 73 5 H 1S 0.02719 -0.03249 0.01876 -0.08822 -0.11589 74 2S 0.36464 -0.50049 0.28896 0.14259 -0.24802 75 3S -2.95939 0.93934 -0.54233 -0.74923 0.31893 76 4PX 0.00635 0.00514 0.00912 0.00342 0.00634 77 4PY -0.00367 0.00912 0.01567 -0.00197 -0.00366 78 4PZ -0.00772 0.01065 -0.00615 0.00704 -0.00087 79 5PX -0.13461 0.04044 -0.17240 -0.13270 -0.33944 80 5PY 0.07772 -0.17240 -0.15864 0.07661 0.19597 81 5PZ -0.00610 -0.06792 0.03921 -0.03923 0.01991 82 6 H 1S -0.02719 0.00000 0.03751 -0.08822 0.11589 83 2S -0.36464 0.00000 0.57792 0.14259 0.24802 84 3S 2.95939 0.00000 -1.08466 -0.74923 -0.31893 85 4PX 0.00000 0.02094 0.00000 0.00000 0.00000 86 4PY 0.00733 0.00000 -0.00012 -0.00394 0.00732 87 4PZ -0.00772 0.00000 0.01230 -0.00704 -0.00087 88 5PX 0.00000 -0.25817 0.00000 0.00000 0.00000 89 5PY -0.15543 0.00000 0.13997 0.15323 -0.39195 90 5PZ -0.00610 0.00000 -0.07843 0.03923 0.01991 91 7 H 1S -0.02719 0.03249 -0.01876 -0.08822 0.11589 92 2S -0.36464 0.50049 -0.28896 0.14259 0.24802 93 3S 2.95939 -0.93934 0.54233 -0.74923 -0.31893 94 4PX 0.00635 0.00514 0.00912 -0.00342 0.00634 95 4PY -0.00367 0.00912 0.01567 0.00197 -0.00366 96 4PZ -0.00772 0.01065 -0.00615 -0.00704 -0.00087 97 5PX -0.13461 0.04044 -0.17240 0.13270 -0.33944 98 5PY 0.07772 -0.17240 -0.15864 -0.07661 0.19597 99 5PZ -0.00610 -0.06792 0.03921 0.03923 0.01991 100 8 H 1S -0.02719 -0.03249 -0.01876 -0.08822 0.11589 101 2S -0.36464 -0.50049 -0.28896 0.14259 0.24802 102 3S 2.95939 0.93934 0.54233 -0.74923 -0.31893 103 4PX -0.00635 0.00514 -0.00912 0.00342 -0.00634 104 4PY -0.00367 -0.00912 0.01567 0.00197 -0.00366 105 4PZ -0.00772 -0.01065 -0.00615 -0.00704 -0.00087 106 5PX 0.13461 0.04044 0.17240 -0.13270 0.33944 107 5PY 0.07772 0.17240 -0.15864 -0.07661 0.19597 108 5PZ -0.00610 0.06792 0.03921 0.03923 0.01991 41 42 43 44 45 (EG)--V (EG)--V (A1G)--V (A2U)--V (EU)--V Eigenvalues -- 0.32065 0.32065 0.34536 0.35739 0.37008 1 1 Si 1S 0.00000 0.00000 0.01344 -0.01027 0.00000 2 2S 0.00000 0.00000 -0.08012 0.09684 0.00000 3 3S 0.00000 0.00000 0.06891 0.02254 0.00000 4 4S 0.00000 0.00000 -1.07370 -1.19667 0.00000 5 5S 0.00000 0.00000 2.10000 -4.85413 0.00000 6 6PX 0.00000 0.07572 0.00000 0.00000 0.09484 7 6PY 0.07572 0.00000 0.00000 0.00000 0.00000 8 6PZ 0.00000 0.00000 -0.08141 -0.07777 0.00000 9 7PX 0.00000 -0.11715 0.00000 0.00000 -0.18635 10 7PY -0.11715 0.00000 0.00000 0.00000 0.00000 11 7PZ 0.00000 0.00000 0.17261 0.14174 0.00000 12 8PX 0.00000 0.62889 0.00000 0.00000 3.31518 13 8PY 0.62889 0.00000 0.00000 0.00000 0.00000 14 8PZ 0.00000 0.00000 -0.09402 5.85811 0.00000 15 9PX 0.00000 -0.68077 0.00000 0.00000 0.59243 16 9PY -0.68077 0.00000 0.00000 0.00000 0.00000 17 9PZ 0.00000 0.00000 0.59098 1.65084 0.00000 18 10D 0 0.00000 0.00000 0.01408 0.00871 0.00000 19 10D+1 0.00000 0.02336 0.00000 0.00000 0.11518 20 10D-1 0.02336 0.00000 0.00000 0.00000 0.00000 21 10D+2 -0.02298 0.00000 0.00000 0.00000 0.00000 22 10D-2 0.00000 -0.02298 0.00000 0.00000 -0.09466 23 11D 0 0.00000 0.00000 -0.56831 -2.78238 0.00000 24 11D+1 0.00000 2.31306 0.00000 0.00000 0.74476 25 11D-1 2.31306 0.00000 0.00000 0.00000 0.00000 26 11D+2 -0.16453 0.00000 0.00000 0.00000 0.00000 27 11D-2 0.00000 -0.16453 0.00000 0.00000 -0.40587 28 2 Si 1S 0.00000 0.00000 0.01344 0.01027 0.00000 29 2S 0.00000 0.00000 -0.08012 -0.09684 0.00000 30 3S 0.00000 0.00000 0.06891 -0.02254 0.00000 31 4S 0.00000 0.00000 -1.07370 1.19667 0.00000 32 5S 0.00000 0.00000 2.10000 4.85413 0.00000 33 6PX 0.00000 -0.07572 0.00000 0.00000 0.09484 34 6PY -0.07572 0.00000 0.00000 0.00000 0.00000 35 6PZ 0.00000 0.00000 0.08141 -0.07777 0.00000 36 7PX 0.00000 0.11715 0.00000 0.00000 -0.18635 37 7PY 0.11715 0.00000 0.00000 0.00000 0.00000 38 7PZ 0.00000 0.00000 -0.17261 0.14174 0.00000 39 8PX 0.00000 -0.62889 0.00000 0.00000 3.31518 40 8PY -0.62889 0.00000 0.00000 0.00000 0.00000 41 8PZ 0.00000 0.00000 0.09402 5.85811 0.00000 42 9PX 0.00000 0.68077 0.00000 0.00000 0.59243 43 9PY 0.68077 0.00000 0.00000 0.00000 0.00000 44 9PZ 0.00000 0.00000 -0.59098 1.65084 0.00000 45 10D 0 0.00000 0.00000 0.01408 -0.00871 0.00000 46 10D+1 0.00000 0.02336 0.00000 0.00000 -0.11518 47 10D-1 0.02336 0.00000 0.00000 0.00000 0.00000 48 10D+2 -0.02298 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 -0.02298 0.00000 0.00000 0.09466 50 11D 0 0.00000 0.00000 -0.56831 2.78238 0.00000 51 11D+1 0.00000 2.31306 0.00000 0.00000 -0.74476 52 11D-1 2.31306 0.00000 0.00000 0.00000 0.00000 53 11D+2 -0.16453 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 -0.16453 0.00000 0.00000 0.40587 55 3 H 1S 0.00247 0.00000 -0.06656 0.02008 0.00000 56 2S -1.69755 0.00000 -0.18831 -1.76999 0.00000 57 3S -0.63028 0.00000 -0.40087 -0.31882 0.00000 58 4PX 0.00000 0.00682 0.00000 0.00000 0.00213 59 4PY -0.00528 0.00000 0.00414 0.00474 0.00000 60 4PZ 0.01652 0.00000 0.00468 0.00061 0.00000 61 5PX 0.00000 -0.30973 0.00000 0.00000 -0.31608 62 5PY 0.58936 0.00000 -0.46209 0.19311 0.00000 63 5PZ -0.07310 0.00000 -0.16378 0.25882 0.00000 64 4 H 1S -0.00124 -0.00214 -0.06656 0.02008 0.04148 65 2S 0.84877 1.47012 -0.18831 -1.76999 2.41298 66 3S 0.31514 0.54584 -0.40087 -0.31882 1.75247 67 4PX -0.00524 -0.00225 -0.00358 -0.00411 0.00436 68 4PY 0.00380 -0.00524 -0.00207 -0.00237 0.00129 69 4PZ -0.00826 -0.01431 0.00468 0.00061 -0.00284 70 5PX 0.38931 0.36458 0.40018 -0.16724 0.86731 71 5PY -0.08496 0.38931 0.23105 -0.09656 0.68323 72 5PZ 0.03655 0.06330 -0.16378 0.25882 -0.23255 73 5 H 1S -0.00124 0.00214 -0.06656 0.02008 -0.04148 74 2S 0.84877 -1.47012 -0.18831 -1.76999 -2.41298 75 3S 0.31514 -0.54584 -0.40087 -0.31882 -1.75247 76 4PX 0.00524 -0.00225 0.00358 0.00411 0.00436 77 4PY 0.00380 0.00524 -0.00207 -0.00237 -0.00129 78 4PZ -0.00826 0.01431 0.00468 0.00061 0.00284 79 5PX -0.38931 0.36458 -0.40018 0.16724 0.86731 80 5PY -0.08496 -0.38931 0.23105 -0.09656 -0.68323 81 5PZ 0.03655 -0.06330 -0.16378 0.25882 0.23255 82 6 H 1S 0.00247 0.00000 -0.06656 -0.02008 0.00000 83 2S -1.69755 0.00000 -0.18831 1.76999 0.00000 84 3S -0.63028 0.00000 -0.40087 0.31882 0.00000 85 4PX 0.00000 -0.00682 0.00000 0.00000 0.00213 86 4PY 0.00528 0.00000 -0.00414 0.00474 0.00000 87 4PZ -0.01652 0.00000 -0.00468 0.00061 0.00000 88 5PX 0.00000 0.30973 0.00000 0.00000 -0.31608 89 5PY -0.58936 0.00000 0.46209 0.19311 0.00000 90 5PZ 0.07310 0.00000 0.16378 0.25882 0.00000 91 7 H 1S -0.00124 0.00214 -0.06656 -0.02008 0.04148 92 2S 0.84877 -1.47012 -0.18831 1.76999 2.41298 93 3S 0.31514 -0.54584 -0.40087 0.31882 1.75247 94 4PX -0.00524 0.00225 -0.00358 0.00411 0.00436 95 4PY -0.00380 -0.00524 0.00207 -0.00237 -0.00129 96 4PZ 0.00826 -0.01431 -0.00468 0.00061 0.00284 97 5PX 0.38931 -0.36458 0.40018 0.16724 0.86731 98 5PY 0.08496 0.38931 -0.23105 -0.09656 -0.68323 99 5PZ -0.03655 0.06330 0.16378 0.25882 0.23255 100 8 H 1S -0.00124 -0.00214 -0.06656 -0.02008 -0.04148 101 2S 0.84877 1.47012 -0.18831 1.76999 -2.41298 102 3S 0.31514 0.54584 -0.40087 0.31882 -1.75247 103 4PX 0.00524 0.00225 0.00358 -0.00411 0.00436 104 4PY -0.00380 0.00524 0.00207 -0.00237 0.00129 105 4PZ 0.00826 0.01431 -0.00468 0.00061 -0.00284 106 5PX -0.38931 -0.36458 -0.40018 -0.16724 0.86731 107 5PY 0.08496 -0.38931 -0.23105 -0.09656 0.68323 108 5PZ -0.03655 -0.06330 0.16378 0.25882 -0.23255 46 47 48 49 50 (EU)--V (EG)--V (EG)--V (EG)--V (EG)--V Eigenvalues -- 0.37008 0.39953 0.39953 0.41009 0.41009 1 1 Si 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6PX 0.00000 0.00000 -0.05665 0.04084 0.00000 7 6PY 0.09484 0.05665 0.00000 0.00000 0.04084 8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PX 0.00000 0.00000 0.14231 -0.06187 0.00000 10 7PY -0.18635 -0.14231 0.00000 0.00000 -0.06187 11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PX 0.00000 0.00000 1.80663 4.67694 0.00000 13 8PY 3.31518 -1.80663 0.00000 0.00000 4.67694 14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PX 0.00000 0.00000 0.29726 0.48913 0.00000 16 9PY 0.59243 -0.29726 0.00000 0.00000 0.48913 17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000 19 10D+1 0.00000 0.00000 -0.00204 0.03684 0.00000 20 10D-1 0.11518 0.00204 0.00000 0.00000 0.03684 21 10D+2 -0.09466 -0.01829 0.00000 0.00000 -0.05466 22 10D-2 0.00000 0.00000 0.01829 -0.05466 0.00000 23 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 24 11D+1 0.00000 0.00000 1.26572 -1.16341 0.00000 25 11D-1 0.74476 -1.26572 0.00000 0.00000 -1.16341 26 11D+2 -0.40587 1.10078 0.00000 0.00000 -0.61900 27 11D-2 0.00000 0.00000 -1.10078 -0.61900 0.00000 28 2 Si 1S 0.00000 0.00000 0.00000 0.00000 0.00000 29 2S 0.00000 0.00000 0.00000 0.00000 0.00000 30 3S 0.00000 0.00000 0.00000 0.00000 0.00000 31 4S 0.00000 0.00000 0.00000 0.00000 0.00000 32 5S 0.00000 0.00000 0.00000 0.00000 0.00000 33 6PX 0.00000 0.00000 0.05665 -0.04084 0.00000 34 6PY 0.09484 -0.05665 0.00000 0.00000 -0.04084 35 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 7PX 0.00000 0.00000 -0.14231 0.06187 0.00000 37 7PY -0.18635 0.14231 0.00000 0.00000 0.06187 38 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 8PX 0.00000 0.00000 -1.80663 -4.67694 0.00000 40 8PY 3.31518 1.80663 0.00000 0.00000 -4.67694 41 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 42 9PX 0.00000 0.00000 -0.29726 -0.48913 0.00000 43 9PY 0.59243 0.29726 0.00000 0.00000 -0.48913 44 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000 46 10D+1 0.00000 0.00000 -0.00204 0.03684 0.00000 47 10D-1 -0.11518 0.00204 0.00000 0.00000 0.03684 48 10D+2 0.09466 -0.01829 0.00000 0.00000 -0.05466 49 10D-2 0.00000 0.00000 0.01829 -0.05466 0.00000 50 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 51 11D+1 0.00000 0.00000 1.26572 -1.16341 0.00000 52 11D-1 -0.74476 -1.26572 0.00000 0.00000 -1.16341 53 11D+2 0.40587 1.10078 0.00000 0.00000 -0.61900 54 11D-2 0.00000 0.00000 -1.10078 -0.61900 0.00000 55 3 H 1S -0.04790 0.07282 0.00000 0.00000 -0.05039 56 2S -2.78627 2.68936 0.00000 0.00000 -2.84491 57 3S -2.02358 0.51588 0.00000 0.00000 -1.19757 58 4PX 0.00000 0.00000 0.00171 -0.00197 0.00000 59 4PY 0.00510 -0.00800 0.00000 0.00000 0.00391 60 4PZ 0.00327 -0.00507 0.00000 0.00000 -0.00338 61 5PX 0.00000 0.00000 0.19930 -0.03841 0.00000 62 5PY 1.26177 -0.16571 0.00000 0.00000 1.19544 63 5PZ 0.26853 0.37746 0.00000 0.00000 0.56388 64 4 H 1S 0.02395 -0.03641 0.06306 0.04364 0.02519 65 2S 1.39313 -1.34468 2.32905 2.46376 1.42245 66 3S 1.01179 -0.25794 0.44676 1.03713 0.59879 67 4PX 0.00129 -0.00272 0.00643 0.00244 0.00254 68 4PY 0.00287 -0.00329 0.00272 0.00254 -0.00050 69 4PZ -0.00164 0.00254 -0.00439 0.00292 0.00169 70 5PX 0.68323 0.01455 0.17410 0.88698 0.53427 71 5PY 0.07839 -0.19090 -0.01455 0.53427 0.27005 72 5PZ -0.13426 -0.18873 0.32689 -0.48833 -0.28194 73 5 H 1S 0.02395 -0.03641 -0.06306 -0.04364 0.02519 74 2S 1.39313 -1.34468 -2.32905 -2.46376 1.42245 75 3S 1.01179 -0.25794 -0.44676 -1.03713 0.59879 76 4PX -0.00129 0.00272 0.00643 0.00244 -0.00254 77 4PY 0.00287 -0.00329 -0.00272 -0.00254 -0.00050 78 4PZ -0.00164 0.00254 0.00439 -0.00292 0.00169 79 5PX -0.68323 -0.01455 0.17410 0.88698 -0.53427 80 5PY 0.07839 -0.19090 0.01455 -0.53427 0.27005 81 5PZ -0.13426 -0.18873 -0.32689 0.48833 -0.28194 82 6 H 1S 0.04790 0.07282 0.00000 0.00000 -0.05039 83 2S 2.78627 2.68936 0.00000 0.00000 -2.84491 84 3S 2.02358 0.51588 0.00000 0.00000 -1.19757 85 4PX 0.00000 0.00000 -0.00171 0.00197 0.00000 86 4PY 0.00510 0.00800 0.00000 0.00000 -0.00391 87 4PZ 0.00327 0.00507 0.00000 0.00000 0.00338 88 5PX 0.00000 0.00000 -0.19930 0.03841 0.00000 89 5PY 1.26177 0.16571 0.00000 0.00000 -1.19544 90 5PZ 0.26853 -0.37746 0.00000 0.00000 -0.56388 91 7 H 1S -0.02395 -0.03641 -0.06306 -0.04364 0.02519 92 2S -1.39313 -1.34468 -2.32905 -2.46376 1.42245 93 3S -1.01179 -0.25794 -0.44676 -1.03713 0.59879 94 4PX -0.00129 -0.00272 -0.00643 -0.00244 0.00254 95 4PY 0.00287 0.00329 0.00272 0.00254 0.00050 96 4PZ -0.00164 -0.00254 -0.00439 0.00292 -0.00169 97 5PX -0.68323 0.01455 -0.17410 -0.88698 0.53427 98 5PY 0.07839 0.19090 -0.01455 0.53427 -0.27005 99 5PZ -0.13426 0.18873 0.32689 -0.48833 0.28194 100 8 H 1S -0.02395 -0.03641 0.06306 0.04364 0.02519 101 2S -1.39313 -1.34468 2.32905 2.46376 1.42245 102 3S -1.01179 -0.25794 0.44676 1.03713 0.59879 103 4PX 0.00129 0.00272 -0.00643 -0.00244 -0.00254 104 4PY 0.00287 0.00329 -0.00272 -0.00254 0.00050 105 4PZ -0.00164 -0.00254 0.00439 -0.00292 -0.00169 106 5PX 0.68323 -0.01455 -0.17410 -0.88698 -0.53427 107 5PY 0.07839 0.19090 0.01455 -0.53427 -0.27005 108 5PZ -0.13426 0.18873 -0.32689 0.48833 0.28194 51 52 53 54 55 (A1U)--V (EU)--V (EU)--V (A1G)--V (A2G)--V Eigenvalues -- 0.42204 0.43624 0.43624 0.46731 0.46739 1 1 Si 1S 0.00000 0.00000 0.00000 0.00260 0.00000 2 2S 0.00000 0.00000 0.00000 -0.08762 0.00000 3 3S 0.00000 0.00000 0.00000 -0.12095 0.00000 4 4S 0.00000 0.00000 0.00000 10.14012 0.00000 5 5S 0.00000 0.00000 0.00000 -1.48456 0.00000 6 6PX 0.00000 -0.05171 0.00000 0.00000 0.00000 7 6PY 0.00000 0.00000 0.05171 0.00000 0.00000 8 6PZ 0.00000 0.00000 0.00000 0.03006 0.00000 9 7PX 0.00000 0.17650 0.00000 0.00000 0.00000 10 7PY 0.00000 0.00000 -0.17650 0.00000 0.00000 11 7PZ 0.00000 0.00000 0.00000 -0.18236 0.00000 12 8PX 0.00000 5.30750 0.00000 0.00000 0.00000 13 8PY 0.00000 0.00000 -5.30750 0.00000 0.00000 14 8PZ 0.00000 0.00000 0.00000 2.08937 0.00000 15 9PX 0.00000 1.76102 0.00000 0.00000 0.00000 16 9PY 0.00000 0.00000 -1.76102 0.00000 0.00000 17 9PZ 0.00000 0.00000 0.00000 0.38470 0.00000 18 10D 0 0.00000 0.00000 0.00000 0.11080 0.00000 19 10D+1 0.00000 -0.16023 0.00000 0.00000 0.00000 20 10D-1 0.00000 0.00000 0.16023 0.00000 0.00000 21 10D+2 0.00000 0.00000 0.00305 0.00000 0.00000 22 10D-2 0.00000 -0.00305 0.00000 0.00000 0.00000 23 11D 0 0.00000 0.00000 0.00000 -2.41934 0.00000 24 11D+1 0.00000 1.81831 0.00000 0.00000 0.00000 25 11D-1 0.00000 0.00000 -1.81831 0.00000 0.00000 26 11D+2 0.00000 0.00000 3.43727 0.00000 0.00000 27 11D-2 0.00000 -3.43727 0.00000 0.00000 0.00000 28 2 Si 1S 0.00000 0.00000 0.00000 0.00260 0.00000 29 2S 0.00000 0.00000 0.00000 -0.08762 0.00000 30 3S 0.00000 0.00000 0.00000 -0.12095 0.00000 31 4S 0.00000 0.00000 0.00000 10.14012 0.00000 32 5S 0.00000 0.00000 0.00000 -1.48456 0.00000 33 6PX 0.00000 -0.05171 0.00000 0.00000 0.00000 34 6PY 0.00000 0.00000 0.05171 0.00000 0.00000 35 6PZ 0.00000 0.00000 0.00000 -0.03006 0.00000 36 7PX 0.00000 0.17650 0.00000 0.00000 0.00000 37 7PY 0.00000 0.00000 -0.17650 0.00000 0.00000 38 7PZ 0.00000 0.00000 0.00000 0.18236 0.00000 39 8PX 0.00000 5.30750 0.00000 0.00000 0.00000 40 8PY 0.00000 0.00000 -5.30750 0.00000 0.00000 41 8PZ 0.00000 0.00000 0.00000 -2.08937 0.00000 42 9PX 0.00000 1.76102 0.00000 0.00000 0.00000 43 9PY 0.00000 0.00000 -1.76102 0.00000 0.00000 44 9PZ 0.00000 0.00000 0.00000 -0.38470 0.00000 45 10D 0 0.00000 0.00000 0.00000 0.11080 0.00000 46 10D+1 0.00000 0.16023 0.00000 0.00000 0.00000 47 10D-1 0.00000 0.00000 -0.16023 0.00000 0.00000 48 10D+2 0.00000 0.00000 -0.00305 0.00000 0.00000 49 10D-2 0.00000 0.00305 0.00000 0.00000 0.00000 50 11D 0 0.00000 0.00000 0.00000 -2.41934 0.00000 51 11D+1 0.00000 -1.81831 0.00000 0.00000 0.00000 52 11D-1 0.00000 0.00000 1.81831 0.00000 0.00000 53 11D+2 0.00000 0.00000 -3.43727 0.00000 0.00000 54 11D-2 0.00000 3.43727 0.00000 0.00000 0.00000 55 3 H 1S 0.00000 0.00000 0.04357 -0.05204 0.00000 56 2S 0.00000 0.00000 5.88439 -3.20486 0.00000 57 3S 0.00000 0.00000 3.20315 0.14449 0.00000 58 4PX -0.01597 -0.00258 0.00000 0.00000 -0.01176 59 4PY 0.00000 0.00000 -0.00754 -0.00358 0.00000 60 4PZ 0.00000 0.00000 -0.00115 -0.01340 0.00000 61 5PX 0.61795 0.05667 0.00000 0.00000 0.64992 62 5PY 0.00000 0.00000 -0.36815 0.81277 0.00000 63 5PZ 0.00000 0.00000 -0.36178 0.80857 0.00000 64 4 H 1S 0.00000 0.03773 -0.02178 -0.05204 0.00000 65 2S 0.00000 5.09603 -2.94220 -3.20486 0.00000 66 3S 0.00000 2.77401 -1.60158 0.14449 0.00000 67 4PX 0.00799 0.00501 -0.00438 0.00310 0.00588 68 4PY -0.01383 0.00438 0.00005 0.00179 -0.01019 69 4PZ 0.00000 -0.00099 0.00057 -0.01340 0.00000 70 5PX -0.30897 0.29028 -0.13488 -0.70388 -0.32496 71 5PY 0.53516 0.13488 -0.13454 -0.40639 0.56285 72 5PZ 0.00000 -0.31331 0.18089 0.80857 0.00000 73 5 H 1S 0.00000 -0.03773 -0.02178 -0.05204 0.00000 74 2S 0.00000 -5.09603 -2.94220 -3.20486 0.00000 75 3S 0.00000 -2.77401 -1.60158 0.14449 0.00000 76 4PX 0.00799 0.00501 0.00438 -0.00310 0.00588 77 4PY 0.01383 -0.00438 0.00005 0.00179 0.01019 78 4PZ 0.00000 0.00099 0.00057 -0.01340 0.00000 79 5PX -0.30897 0.29028 0.13488 0.70388 -0.32496 80 5PY -0.53516 -0.13488 -0.13454 -0.40639 -0.56285 81 5PZ 0.00000 0.31331 0.18089 0.80857 0.00000 82 6 H 1S 0.00000 0.00000 -0.04357 -0.05204 0.00000 83 2S 0.00000 0.00000 -5.88439 -3.20486 0.00000 84 3S 0.00000 0.00000 -3.20315 0.14449 0.00000 85 4PX -0.01597 -0.00258 0.00000 0.00000 0.01176 86 4PY 0.00000 0.00000 -0.00754 0.00358 0.00000 87 4PZ 0.00000 0.00000 -0.00115 0.01340 0.00000 88 5PX 0.61795 0.05667 0.00000 0.00000 -0.64992 89 5PY 0.00000 0.00000 -0.36815 -0.81277 0.00000 90 5PZ 0.00000 0.00000 -0.36178 -0.80857 0.00000 91 7 H 1S 0.00000 0.03773 0.02178 -0.05204 0.00000 92 2S 0.00000 5.09603 2.94220 -3.20486 0.00000 93 3S 0.00000 2.77401 1.60158 0.14449 0.00000 94 4PX 0.00799 0.00501 0.00438 0.00310 -0.00588 95 4PY 0.01383 -0.00438 0.00005 -0.00179 -0.01019 96 4PZ 0.00000 0.00099 0.00057 0.01340 0.00000 97 5PX -0.30897 0.29028 0.13488 -0.70388 0.32496 98 5PY -0.53516 -0.13488 -0.13454 0.40639 0.56285 99 5PZ 0.00000 0.31331 0.18089 -0.80857 0.00000 100 8 H 1S 0.00000 -0.03773 0.02178 -0.05204 0.00000 101 2S 0.00000 -5.09603 2.94220 -3.20486 0.00000 102 3S 0.00000 -2.77401 1.60158 0.14449 0.00000 103 4PX 0.00799 0.00501 -0.00438 -0.00310 -0.00588 104 4PY -0.01383 0.00438 0.00005 -0.00179 0.01019 105 4PZ 0.00000 -0.00099 0.00057 0.01340 0.00000 106 5PX -0.30897 0.29028 -0.13488 0.70388 0.32496 107 5PY 0.53516 0.13488 -0.13454 0.40639 -0.56285 108 5PZ 0.00000 -0.31331 0.18089 -0.80857 0.00000 56 57 58 59 60 (EG)--V (EG)--V (A2U)--V (EU)--V (EU)--V Eigenvalues -- 0.53746 0.53746 0.54393 0.54681 0.54681 1 1 Si 1S 0.00000 0.00000 -0.00407 0.00000 0.00000 2 2S 0.00000 0.00000 0.00462 0.00000 0.00000 3 3S 0.00000 0.00000 -0.05900 0.00000 0.00000 4 4S 0.00000 0.00000 3.82712 0.00000 0.00000 5 5S 0.00000 0.00000 -9.15573 0.00000 0.00000 6 6PX -0.06498 0.00000 0.00000 0.00000 0.02578 7 6PY 0.00000 -0.06498 0.00000 0.02578 0.00000 8 6PZ 0.00000 0.00000 0.03494 0.00000 0.00000 9 7PX 0.19773 0.00000 0.00000 0.00000 -0.11528 10 7PY 0.00000 0.19773 0.00000 -0.11528 0.00000 11 7PZ 0.00000 0.00000 -0.22019 0.00000 0.00000 12 8PX 8.81544 0.00000 0.00000 0.00000 1.26044 13 8PY 0.00000 8.81544 0.00000 1.26044 0.00000 14 8PZ 0.00000 0.00000 10.35445 0.00000 0.00000 15 9PX 1.91474 0.00000 0.00000 0.00000 -1.03016 16 9PY 0.00000 1.91474 0.00000 -1.03016 0.00000 17 9PZ 0.00000 0.00000 0.63244 0.00000 0.00000 18 10D 0 0.00000 0.00000 -0.11097 0.00000 0.00000 19 10D+1 0.10129 0.00000 0.00000 0.00000 -0.13310 20 10D-1 0.00000 0.10129 0.00000 -0.13310 0.00000 21 10D+2 0.00000 0.15581 0.00000 -0.25847 0.00000 22 10D-2 0.15581 0.00000 0.00000 0.00000 -0.25847 23 11D 0 0.00000 0.00000 -1.55702 0.00000 0.00000 24 11D+1 -2.28086 0.00000 0.00000 0.00000 1.30387 25 11D-1 0.00000 -2.28086 0.00000 1.30387 0.00000 26 11D+2 0.00000 -2.17342 0.00000 2.26954 0.00000 27 11D-2 -2.17342 0.00000 0.00000 0.00000 2.26954 28 2 Si 1S 0.00000 0.00000 0.00407 0.00000 0.00000 29 2S 0.00000 0.00000 -0.00462 0.00000 0.00000 30 3S 0.00000 0.00000 0.05900 0.00000 0.00000 31 4S 0.00000 0.00000 -3.82712 0.00000 0.00000 32 5S 0.00000 0.00000 9.15573 0.00000 0.00000 33 6PX 0.06498 0.00000 0.00000 0.00000 0.02578 34 6PY 0.00000 0.06498 0.00000 0.02578 0.00000 35 6PZ 0.00000 0.00000 0.03494 0.00000 0.00000 36 7PX -0.19773 0.00000 0.00000 0.00000 -0.11528 37 7PY 0.00000 -0.19773 0.00000 -0.11528 0.00000 38 7PZ 0.00000 0.00000 -0.22019 0.00000 0.00000 39 8PX -8.81544 0.00000 0.00000 0.00000 1.26044 40 8PY 0.00000 -8.81544 0.00000 1.26044 0.00000 41 8PZ 0.00000 0.00000 10.35445 0.00000 0.00000 42 9PX -1.91474 0.00000 0.00000 0.00000 -1.03016 43 9PY 0.00000 -1.91474 0.00000 -1.03016 0.00000 44 9PZ 0.00000 0.00000 0.63244 0.00000 0.00000 45 10D 0 0.00000 0.00000 0.11097 0.00000 0.00000 46 10D+1 0.10129 0.00000 0.00000 0.00000 0.13310 47 10D-1 0.00000 0.10129 0.00000 0.13310 0.00000 48 10D+2 0.00000 0.15581 0.00000 0.25847 0.00000 49 10D-2 0.15581 0.00000 0.00000 0.00000 0.25847 50 11D 0 0.00000 0.00000 1.55702 0.00000 0.00000 51 11D+1 -2.28086 0.00000 0.00000 0.00000 -1.30387 52 11D-1 0.00000 -2.28086 0.00000 -1.30387 0.00000 53 11D+2 0.00000 -2.17342 0.00000 -2.26954 0.00000 54 11D-2 -2.17342 0.00000 0.00000 0.00000 -2.26954 55 3 H 1S 0.00000 -0.04880 -0.08375 0.07141 0.00000 56 2S 0.00000 -5.59056 -3.53795 0.05458 0.00000 57 3S 0.00000 -2.06049 1.03127 1.74459 0.00000 58 4PX 0.01358 0.00000 0.00000 0.00000 0.01774 59 4PY 0.00000 0.00793 -0.00141 0.00790 0.00000 60 4PZ 0.00000 -0.02998 0.01902 0.01702 0.00000 61 5PX -0.30728 0.00000 0.00000 0.00000 -1.51273 62 5PY 0.00000 0.46368 1.28956 0.13808 0.00000 63 5PZ 0.00000 1.90169 -0.70469 -0.93243 0.00000 64 4 H 1S 0.04226 0.02440 -0.08375 -0.03570 -0.06184 65 2S 4.84157 2.79528 -3.53795 -0.02729 -0.04727 66 3S 1.78444 1.03025 1.03127 -0.87230 -1.51086 67 4PX 0.00934 -0.00245 0.00122 -0.00426 0.01036 68 4PY -0.00245 0.01217 0.00070 0.01528 -0.00426 69 4PZ 0.02596 0.01499 0.01902 -0.00851 -0.01474 70 5PX 0.27094 0.33384 -1.11679 0.71482 -0.27462 71 5PY 0.33384 -0.11454 -0.64478 -1.10003 0.71482 72 5PZ -1.64691 -0.95085 -0.70469 0.46622 0.80751 73 5 H 1S -0.04226 0.02440 -0.08375 -0.03570 0.06184 74 2S -4.84157 2.79528 -3.53795 -0.02729 0.04727 75 3S -1.78444 1.03025 1.03127 -0.87230 1.51086 76 4PX 0.00934 0.00245 -0.00122 0.00426 0.01036 77 4PY 0.00245 0.01217 0.00070 0.01528 0.00426 78 4PZ -0.02596 0.01499 0.01902 -0.00851 0.01474 79 5PX 0.27094 -0.33384 1.11679 -0.71482 -0.27462 80 5PY -0.33384 -0.11454 -0.64478 -1.10003 -0.71482 81 5PZ 1.64691 -0.95085 -0.70469 0.46622 -0.80751 82 6 H 1S 0.00000 -0.04880 0.08375 -0.07141 0.00000 83 2S 0.00000 -5.59056 3.53795 -0.05458 0.00000 84 3S 0.00000 -2.06049 -1.03127 -1.74459 0.00000 85 4PX -0.01358 0.00000 0.00000 0.00000 0.01774 86 4PY 0.00000 -0.00793 -0.00141 0.00790 0.00000 87 4PZ 0.00000 0.02998 0.01902 0.01702 0.00000 88 5PX 0.30728 0.00000 0.00000 0.00000 -1.51273 89 5PY 0.00000 -0.46368 1.28956 0.13808 0.00000 90 5PZ 0.00000 -1.90169 -0.70469 -0.93243 0.00000 91 7 H 1S -0.04226 0.02440 0.08375 0.03570 -0.06184 92 2S -4.84157 2.79528 3.53795 0.02729 -0.04727 93 3S -1.78444 1.03025 -1.03127 0.87230 -1.51086 94 4PX -0.00934 -0.00245 -0.00122 0.00426 0.01036 95 4PY -0.00245 -0.01217 0.00070 0.01528 0.00426 96 4PZ 0.02596 -0.01499 0.01902 -0.00851 0.01474 97 5PX -0.27094 0.33384 1.11679 -0.71482 -0.27462 98 5PY 0.33384 0.11454 -0.64478 -1.10003 -0.71482 99 5PZ -1.64691 0.95085 -0.70469 0.46622 -0.80751 100 8 H 1S 0.04226 0.02440 0.08375 0.03570 0.06184 101 2S 4.84157 2.79528 3.53795 0.02729 0.04727 102 3S 1.78444 1.03025 -1.03127 0.87230 1.51086 103 4PX -0.00934 0.00245 0.00122 -0.00426 0.01036 104 4PY 0.00245 -0.01217 0.00070 0.01528 -0.00426 105 4PZ -0.02596 -0.01499 0.01902 -0.00851 -0.01474 106 5PX -0.27094 -0.33384 -1.11679 0.71482 -0.27462 107 5PY -0.33384 0.11454 -0.64478 -1.10003 0.71482 108 5PZ 1.64691 0.95085 -0.70469 0.46622 0.80751 61 62 63 64 65 (EG)--V (EG)--V (A2U)--V (EU)--V (EU)--V Eigenvalues -- 0.58474 0.58474 0.59132 0.60644 0.60644 1 1 Si 1S 0.00000 0.00000 0.00118 0.00000 0.00000 2 2S 0.00000 0.00000 -0.20903 0.00000 0.00000 3 3S 0.00000 0.00000 -0.39122 0.00000 0.00000 4 4S 0.00000 0.00000 12.41601 0.00000 0.00000 5 5S 0.00000 0.00000 -9.02840 0.00000 0.00000 6 6PX 0.00000 -0.00711 0.00000 0.02070 0.00000 7 6PY -0.00711 0.00000 0.00000 0.00000 0.02070 8 6PZ 0.00000 0.00000 0.12318 0.00000 0.00000 9 7PX 0.00000 -0.01519 0.00000 -0.06405 0.00000 10 7PY -0.01519 0.00000 0.00000 0.00000 -0.06405 11 7PZ 0.00000 0.00000 -0.34783 0.00000 0.00000 12 8PX 0.00000 4.14107 0.00000 -1.33436 0.00000 13 8PY 4.14107 0.00000 0.00000 0.00000 -1.33436 14 8PZ 0.00000 0.00000 2.19887 0.00000 0.00000 15 9PX 0.00000 -1.19479 0.00000 -0.33312 0.00000 16 9PY -1.19479 0.00000 0.00000 0.00000 -0.33312 17 9PZ 0.00000 0.00000 0.76747 0.00000 0.00000 18 10D 0 0.00000 0.00000 -0.20955 0.00000 0.00000 19 10D+1 0.00000 -0.04433 0.00000 -0.09746 0.00000 20 10D-1 -0.04433 0.00000 0.00000 0.00000 -0.09746 21 10D+2 -0.19194 0.00000 0.00000 0.00000 -0.03801 22 10D-2 0.00000 -0.19194 0.00000 -0.03801 0.00000 23 11D 0 0.00000 0.00000 -0.64155 0.00000 0.00000 24 11D+1 0.00000 1.60339 0.00000 -1.34743 0.00000 25 11D-1 1.60339 0.00000 0.00000 0.00000 -1.34743 26 11D+2 0.65040 0.00000 0.00000 0.00000 2.35202 27 11D-2 0.00000 0.65040 0.00000 2.35202 0.00000 28 2 Si 1S 0.00000 0.00000 -0.00118 0.00000 0.00000 29 2S 0.00000 0.00000 0.20903 0.00000 0.00000 30 3S 0.00000 0.00000 0.39122 0.00000 0.00000 31 4S 0.00000 0.00000 -12.41601 0.00000 0.00000 32 5S 0.00000 0.00000 9.02840 0.00000 0.00000 33 6PX 0.00000 0.00711 0.00000 0.02070 0.00000 34 6PY 0.00711 0.00000 0.00000 0.00000 0.02070 35 6PZ 0.00000 0.00000 0.12318 0.00000 0.00000 36 7PX 0.00000 0.01519 0.00000 -0.06405 0.00000 37 7PY 0.01519 0.00000 0.00000 0.00000 -0.06405 38 7PZ 0.00000 0.00000 -0.34783 0.00000 0.00000 39 8PX 0.00000 -4.14107 0.00000 -1.33436 0.00000 40 8PY -4.14107 0.00000 0.00000 0.00000 -1.33436 41 8PZ 0.00000 0.00000 2.19887 0.00000 0.00000 42 9PX 0.00000 1.19479 0.00000 -0.33312 0.00000 43 9PY 1.19479 0.00000 0.00000 0.00000 -0.33312 44 9PZ 0.00000 0.00000 0.76747 0.00000 0.00000 45 10D 0 0.00000 0.00000 0.20955 0.00000 0.00000 46 10D+1 0.00000 -0.04433 0.00000 0.09746 0.00000 47 10D-1 -0.04433 0.00000 0.00000 0.00000 0.09746 48 10D+2 -0.19194 0.00000 0.00000 0.00000 0.03801 49 10D-2 0.00000 -0.19194 0.00000 0.03801 0.00000 50 11D 0 0.00000 0.00000 0.64155 0.00000 0.00000 51 11D+1 0.00000 1.60339 0.00000 1.34743 0.00000 52 11D-1 1.60339 0.00000 0.00000 0.00000 1.34743 53 11D+2 0.65040 0.00000 0.00000 0.00000 -2.35202 54 11D-2 0.00000 0.65040 0.00000 -2.35202 0.00000 55 3 H 1S 0.01691 0.00000 -0.07191 0.00000 -0.01569 56 2S -3.02690 0.00000 -3.48488 0.00000 2.58756 57 3S 0.94004 0.00000 0.90154 0.00000 0.60872 58 4PX 0.00000 0.02767 0.00000 0.01318 0.00000 59 4PY 0.01689 0.00000 0.00051 0.00000 0.00170 60 4PZ 0.00636 0.00000 -0.01086 0.00000 -0.01950 61 5PX 0.00000 -1.70078 0.00000 -0.91556 0.00000 62 5PY 0.39445 0.00000 1.44174 0.00000 -0.37359 63 5PZ -0.36707 0.00000 0.93950 0.00000 1.00457 64 4 H 1S -0.00846 -0.01464 -0.07191 0.01359 0.00784 65 2S 1.51345 2.62137 -3.48488 -2.24089 -1.29378 66 3S -0.47002 -0.81410 0.90154 -0.52717 -0.30436 67 4PX -0.00467 0.01959 -0.00044 0.00457 -0.00497 68 4PY 0.02497 -0.00467 -0.00025 -0.00497 0.01031 69 4PZ -0.00318 -0.00551 -0.01086 0.01689 0.00975 70 5PX 0.90726 -0.12935 -1.24858 -0.50908 0.23468 71 5PY -1.17697 0.90726 -0.72087 0.23468 -0.78007 72 5PZ 0.18354 0.31789 0.93950 -0.86999 -0.50229 73 5 H 1S -0.00846 0.01464 -0.07191 -0.01359 0.00784 74 2S 1.51345 -2.62137 -3.48488 2.24089 -1.29378 75 3S -0.47002 0.81410 0.90154 0.52717 -0.30436 76 4PX 0.00467 0.01959 0.00044 0.00457 0.00497 77 4PY 0.02497 0.00467 -0.00025 0.00497 0.01031 78 4PZ -0.00318 0.00551 -0.01086 -0.01689 0.00975 79 5PX -0.90726 -0.12935 1.24858 -0.50908 -0.23468 80 5PY -1.17697 -0.90726 -0.72087 -0.23468 -0.78007 81 5PZ 0.18354 -0.31789 0.93950 0.86999 -0.50229 82 6 H 1S 0.01691 0.00000 0.07191 0.00000 0.01569 83 2S -3.02690 0.00000 3.48488 0.00000 -2.58756 84 3S 0.94004 0.00000 -0.90154 0.00000 -0.60872 85 4PX 0.00000 -0.02767 0.00000 0.01318 0.00000 86 4PY -0.01689 0.00000 0.00051 0.00000 0.00170 87 4PZ -0.00636 0.00000 -0.01086 0.00000 -0.01950 88 5PX 0.00000 1.70078 0.00000 -0.91556 0.00000 89 5PY -0.39445 0.00000 1.44174 0.00000 -0.37359 90 5PZ 0.36707 0.00000 0.93950 0.00000 1.00457 91 7 H 1S -0.00846 0.01464 0.07191 0.01359 -0.00784 92 2S 1.51345 -2.62137 3.48488 -2.24089 1.29378 93 3S -0.47002 0.81410 -0.90154 -0.52717 0.30436 94 4PX -0.00467 -0.01959 0.00044 0.00457 0.00497 95 4PY -0.02497 -0.00467 -0.00025 0.00497 0.01031 96 4PZ 0.00318 -0.00551 -0.01086 -0.01689 0.00975 97 5PX 0.90726 0.12935 1.24858 -0.50908 -0.23468 98 5PY 1.17697 0.90726 -0.72087 -0.23468 -0.78007 99 5PZ -0.18354 0.31789 0.93950 0.86999 -0.50229 100 8 H 1S -0.00846 -0.01464 0.07191 -0.01359 -0.00784 101 2S 1.51345 2.62137 3.48488 2.24089 1.29378 102 3S -0.47002 -0.81410 -0.90154 0.52717 0.30436 103 4PX 0.00467 -0.01959 -0.00044 0.00457 -0.00497 104 4PY -0.02497 0.00467 -0.00025 -0.00497 0.01031 105 4PZ 0.00318 0.00551 -0.01086 0.01689 0.00975 106 5PX -0.90726 0.12935 -1.24858 -0.50908 0.23468 107 5PY 1.17697 -0.90726 -0.72087 0.23468 -0.78007 108 5PZ -0.18354 -0.31789 0.93950 -0.86999 -0.50229 66 67 68 69 70 (EU)--V (EU)--V (A1G)--V (A1G)--V (A2U)--V Eigenvalues -- 0.69076 0.69076 0.69409 0.70201 0.71742 1 1 Si 1S 0.00000 0.00000 -0.05783 -0.00406 0.03702 2 2S 0.00000 0.00000 -0.37808 -0.22392 -0.04212 3 3S 0.00000 0.00000 -1.82170 -0.51737 0.60307 4 4S 0.00000 0.00000 11.68230 16.13311 6.39012 5 5S 0.00000 0.00000 -5.48439 -4.86626 2.64900 6 6PX 0.07265 0.00000 0.00000 0.00000 0.00000 7 6PY 0.00000 0.07265 0.00000 0.00000 0.00000 8 6PZ 0.00000 0.00000 0.03118 -0.07647 -0.10892 9 7PX -0.44937 0.00000 0.00000 0.00000 0.00000 10 7PY 0.00000 -0.44937 0.00000 0.00000 0.00000 11 7PZ 0.00000 0.00000 -0.07185 0.39244 0.65276 12 8PX 3.51233 0.00000 0.00000 0.00000 0.00000 13 8PY 0.00000 3.51233 0.00000 0.00000 0.00000 14 8PZ 0.00000 0.00000 2.71356 5.61105 -1.59295 15 9PX -0.06721 0.00000 0.00000 0.00000 0.00000 16 9PY 0.00000 -0.06721 0.00000 0.00000 0.00000 17 9PZ 0.00000 0.00000 -0.54990 -0.04110 1.07698 18 10D 0 0.00000 0.00000 -0.49630 0.19017 0.47439 19 10D+1 0.70138 0.00000 0.00000 0.00000 0.00000 20 10D-1 0.00000 0.70138 0.00000 0.00000 0.00000 21 10D+2 0.00000 -0.00153 0.00000 0.00000 0.00000 22 10D-2 -0.00153 0.00000 0.00000 0.00000 0.00000 23 11D 0 0.00000 0.00000 -0.71230 -1.04537 0.23720 24 11D+1 0.52660 0.00000 0.00000 0.00000 0.00000 25 11D-1 0.00000 0.52660 0.00000 0.00000 0.00000 26 11D+2 0.00000 -1.55892 0.00000 0.00000 0.00000 27 11D-2 -1.55892 0.00000 0.00000 0.00000 0.00000 28 2 Si 1S 0.00000 0.00000 -0.05783 -0.00406 -0.03702 29 2S 0.00000 0.00000 -0.37808 -0.22392 0.04212 30 3S 0.00000 0.00000 -1.82170 -0.51737 -0.60307 31 4S 0.00000 0.00000 11.68230 16.13311 -6.39012 32 5S 0.00000 0.00000 -5.48439 -4.86626 -2.64900 33 6PX 0.07265 0.00000 0.00000 0.00000 0.00000 34 6PY 0.00000 0.07265 0.00000 0.00000 0.00000 35 6PZ 0.00000 0.00000 -0.03118 0.07647 -0.10892 36 7PX -0.44937 0.00000 0.00000 0.00000 0.00000 37 7PY 0.00000 -0.44937 0.00000 0.00000 0.00000 38 7PZ 0.00000 0.00000 0.07185 -0.39244 0.65276 39 8PX 3.51233 0.00000 0.00000 0.00000 0.00000 40 8PY 0.00000 3.51233 0.00000 0.00000 0.00000 41 8PZ 0.00000 0.00000 -2.71356 -5.61105 -1.59295 42 9PX -0.06721 0.00000 0.00000 0.00000 0.00000 43 9PY 0.00000 -0.06721 0.00000 0.00000 0.00000 44 9PZ 0.00000 0.00000 0.54990 0.04110 1.07698 45 10D 0 0.00000 0.00000 -0.49630 0.19017 -0.47439 46 10D+1 -0.70138 0.00000 0.00000 0.00000 0.00000 47 10D-1 0.00000 -0.70138 0.00000 0.00000 0.00000 48 10D+2 0.00000 0.00153 0.00000 0.00000 0.00000 49 10D-2 0.00153 0.00000 0.00000 0.00000 0.00000 50 11D 0 0.00000 0.00000 -0.71230 -1.04537 -0.23720 51 11D+1 -0.52660 0.00000 0.00000 0.00000 0.00000 52 11D-1 0.00000 -0.52660 0.00000 0.00000 0.00000 53 11D+2 0.00000 1.55892 0.00000 0.00000 0.00000 54 11D-2 1.55892 0.00000 0.00000 0.00000 0.00000 55 3 H 1S 0.00000 0.00366 -0.08309 -0.13682 -0.15029 56 2S 0.00000 -3.35600 -3.02377 -4.80567 -1.42896 57 3S 0.00000 0.10130 1.26342 0.95682 -1.37920 58 4PX 0.00495 0.00000 0.00000 0.00000 0.00000 59 4PY 0.00000 0.03564 0.02381 -0.02300 -0.04249 60 4PZ 0.00000 0.01130 0.00299 0.02201 -0.00396 61 5PX -0.29524 0.00000 0.00000 0.00000 0.00000 62 5PY 0.00000 -0.15611 0.87404 2.08401 0.97440 63 5PZ 0.00000 0.08585 0.17388 -0.51233 0.30215 64 4 H 1S -0.00317 -0.00183 -0.08309 -0.13682 -0.15029 65 2S 2.90638 1.67800 -3.02377 -4.80567 -1.42896 66 3S -0.08773 -0.05065 1.26342 0.95682 -1.37920 67 4PX 0.02797 0.01329 -0.02062 0.01992 0.03679 68 4PY 0.01329 0.01263 -0.01191 0.01150 0.02124 69 4PZ -0.00979 -0.00565 0.00299 0.02201 -0.00396 70 5PX -0.19089 0.06025 -0.75694 -1.80480 -0.84386 71 5PY 0.06025 -0.26046 -0.43702 -1.04200 -0.48720 72 5PZ -0.07435 -0.04292 0.17388 -0.51233 0.30215 73 5 H 1S 0.00317 -0.00183 -0.08309 -0.13682 -0.15029 74 2S -2.90638 1.67800 -3.02377 -4.80567 -1.42896 75 3S 0.08773 -0.05065 1.26342 0.95682 -1.37920 76 4PX 0.02797 -0.01329 0.02062 -0.01992 -0.03679 77 4PY -0.01329 0.01263 -0.01191 0.01150 0.02124 78 4PZ 0.00979 -0.00565 0.00299 0.02201 -0.00396 79 5PX -0.19089 -0.06025 0.75694 1.80480 0.84386 80 5PY -0.06025 -0.26046 -0.43702 -1.04200 -0.48720 81 5PZ 0.07435 -0.04292 0.17388 -0.51233 0.30215 82 6 H 1S 0.00000 -0.00366 -0.08309 -0.13682 0.15029 83 2S 0.00000 3.35600 -3.02377 -4.80567 1.42896 84 3S 0.00000 -0.10130 1.26342 0.95682 1.37920 85 4PX 0.00495 0.00000 0.00000 0.00000 0.00000 86 4PY 0.00000 0.03564 -0.02381 0.02300 -0.04249 87 4PZ 0.00000 0.01130 -0.00299 -0.02201 -0.00396 88 5PX -0.29524 0.00000 0.00000 0.00000 0.00000 89 5PY 0.00000 -0.15611 -0.87404 -2.08401 0.97440 90 5PZ 0.00000 0.08585 -0.17388 0.51233 0.30215 91 7 H 1S -0.00317 0.00183 -0.08309 -0.13682 0.15029 92 2S 2.90638 -1.67800 -3.02377 -4.80567 1.42896 93 3S -0.08773 0.05065 1.26342 0.95682 1.37920 94 4PX 0.02797 -0.01329 -0.02062 0.01992 -0.03679 95 4PY -0.01329 0.01263 0.01191 -0.01150 0.02124 96 4PZ 0.00979 -0.00565 -0.00299 -0.02201 -0.00396 97 5PX -0.19089 -0.06025 -0.75694 -1.80480 0.84386 98 5PY -0.06025 -0.26046 0.43702 1.04200 -0.48720 99 5PZ 0.07435 -0.04292 -0.17388 0.51233 0.30215 100 8 H 1S 0.00317 0.00183 -0.08309 -0.13682 0.15029 101 2S -2.90638 -1.67800 -3.02377 -4.80567 1.42896 102 3S 0.08773 0.05065 1.26342 0.95682 1.37920 103 4PX 0.02797 0.01329 0.02062 -0.01992 0.03679 104 4PY 0.01329 0.01263 0.01191 -0.01150 0.02124 105 4PZ -0.00979 -0.00565 -0.00299 -0.02201 -0.00396 106 5PX -0.19089 0.06025 0.75694 1.80480 -0.84386 107 5PY 0.06025 -0.26046 0.43702 1.04200 -0.48720 108 5PZ -0.07435 -0.04292 -0.17388 0.51233 0.30215 71 72 73 74 75 (EG)--V (EG)--V (A1G)--V (A1G)--V (EU)--V Eigenvalues -- 0.76404 0.76404 0.79064 0.80995 0.81304 1 1 Si 1S 0.00000 0.00000 0.03793 0.03378 0.00000 2 2S 0.00000 0.00000 0.03095 0.03960 0.00000 3 3S 0.00000 0.00000 0.78792 0.70018 0.00000 4 4S 0.00000 0.00000 8.85725 2.08172 0.00000 5 5S 0.00000 0.00000 0.22498 0.40210 0.00000 6 6PX 0.15254 0.00000 0.00000 0.00000 0.00000 7 6PY 0.00000 0.15254 0.00000 0.00000 -0.11739 8 6PZ 0.00000 0.00000 0.11295 -0.12417 0.00000 9 7PX -0.80067 0.00000 0.00000 0.00000 0.00000 10 7PY 0.00000 -0.80067 0.00000 0.00000 0.62275 11 7PZ 0.00000 0.00000 -0.66171 0.87598 0.00000 12 8PX 7.23823 0.00000 0.00000 0.00000 0.00000 13 8PY 0.00000 7.23823 0.00000 0.00000 -0.09145 14 8PZ 0.00000 0.00000 4.34814 -1.06944 0.00000 15 9PX 0.41818 0.00000 0.00000 0.00000 0.00000 16 9PY 0.00000 0.41818 0.00000 0.00000 -0.14798 17 9PZ 0.00000 0.00000 -0.08946 -0.16195 0.00000 18 10D 0 0.00000 0.00000 -0.43613 -0.54144 0.00000 19 10D+1 0.58016 0.00000 0.00000 0.00000 0.00000 20 10D-1 0.00000 0.58016 0.00000 0.00000 0.22780 21 10D+2 0.00000 -0.39405 0.00000 0.00000 0.65065 22 10D-2 -0.39405 0.00000 0.00000 0.00000 0.00000 23 11D 0 0.00000 0.00000 -0.85073 0.27926 0.00000 24 11D+1 -2.23714 0.00000 0.00000 0.00000 0.00000 25 11D-1 0.00000 -2.23714 0.00000 0.00000 0.46440 26 11D+2 0.00000 -1.36988 0.00000 0.00000 2.37416 27 11D-2 -1.36988 0.00000 0.00000 0.00000 0.00000 28 2 Si 1S 0.00000 0.00000 0.03793 0.03378 0.00000 29 2S 0.00000 0.00000 0.03095 0.03960 0.00000 30 3S 0.00000 0.00000 0.78792 0.70018 0.00000 31 4S 0.00000 0.00000 8.85725 2.08172 0.00000 32 5S 0.00000 0.00000 0.22498 0.40210 0.00000 33 6PX -0.15254 0.00000 0.00000 0.00000 0.00000 34 6PY 0.00000 -0.15254 0.00000 0.00000 -0.11739 35 6PZ 0.00000 0.00000 -0.11295 0.12417 0.00000 36 7PX 0.80067 0.00000 0.00000 0.00000 0.00000 37 7PY 0.00000 0.80067 0.00000 0.00000 0.62275 38 7PZ 0.00000 0.00000 0.66171 -0.87598 0.00000 39 8PX -7.23823 0.00000 0.00000 0.00000 0.00000 40 8PY 0.00000 -7.23823 0.00000 0.00000 -0.09145 41 8PZ 0.00000 0.00000 -4.34814 1.06944 0.00000 42 9PX -0.41818 0.00000 0.00000 0.00000 0.00000 43 9PY 0.00000 -0.41818 0.00000 0.00000 -0.14798 44 9PZ 0.00000 0.00000 0.08946 0.16195 0.00000 45 10D 0 0.00000 0.00000 -0.43613 -0.54144 0.00000 46 10D+1 0.58016 0.00000 0.00000 0.00000 0.00000 47 10D-1 0.00000 0.58016 0.00000 0.00000 -0.22780 48 10D+2 0.00000 -0.39405 0.00000 0.00000 -0.65065 49 10D-2 -0.39405 0.00000 0.00000 0.00000 0.00000 50 11D 0 0.00000 0.00000 -0.85073 0.27926 0.00000 51 11D+1 -2.23714 0.00000 0.00000 0.00000 0.00000 52 11D-1 0.00000 -2.23714 0.00000 0.00000 -0.46440 53 11D+2 0.00000 -1.36988 0.00000 0.00000 -2.37416 54 11D-2 -1.36988 0.00000 0.00000 0.00000 0.00000 55 3 H 1S 0.00000 0.11587 0.11445 -0.20272 -0.06717 56 2S 0.00000 -4.21372 -3.67507 -0.88358 1.24963 57 3S 0.00000 -0.04348 -0.15046 -0.15833 0.10127 58 4PX -0.00383 0.00000 0.00000 0.00000 0.00000 59 4PY 0.00000 0.06646 -0.00719 -0.02174 -0.04824 60 4PZ 0.00000 0.04302 -0.01847 -0.02092 -0.00450 61 5PX 0.04151 0.00000 0.00000 0.00000 0.00000 62 5PY 0.00000 0.05065 1.18494 0.58569 0.55176 63 5PZ 0.00000 1.00681 -0.17734 0.77128 -0.51305 64 4 H 1S -0.10035 -0.05793 0.11445 -0.20272 0.03359 65 2S 3.64919 2.10686 -3.67507 -0.88358 -0.62481 66 3S 0.03766 0.02174 -0.15046 -0.15833 -0.05063 67 4PX 0.04889 0.03044 0.00623 0.01882 -0.03786 68 4PY 0.03044 0.01374 0.00360 0.01087 0.01733 69 4PZ -0.03726 -0.02151 -0.01847 -0.02092 0.00225 70 5PX 0.04837 0.00396 -1.02618 -0.50723 0.93222 71 5PY 0.00396 0.04380 -0.59247 -0.29285 -1.06289 72 5PZ -0.87192 -0.50340 -0.17734 0.77128 0.25652 73 5 H 1S 0.10035 -0.05793 0.11445 -0.20272 0.03359 74 2S -3.64919 2.10686 -3.67507 -0.88358 -0.62481 75 3S -0.03766 0.02174 -0.15046 -0.15833 -0.05063 76 4PX 0.04889 -0.03044 -0.00623 -0.01882 0.03786 77 4PY -0.03044 0.01374 0.00360 0.01087 0.01733 78 4PZ 0.03726 -0.02151 -0.01847 -0.02092 0.00225 79 5PX 0.04837 -0.00396 1.02618 0.50723 -0.93222 80 5PY -0.00396 0.04380 -0.59247 -0.29285 -1.06289 81 5PZ 0.87192 -0.50340 -0.17734 0.77128 0.25652 82 6 H 1S 0.00000 0.11587 0.11445 -0.20272 0.06717 83 2S 0.00000 -4.21372 -3.67507 -0.88358 -1.24963 84 3S 0.00000 -0.04348 -0.15046 -0.15833 -0.10127 85 4PX 0.00383 0.00000 0.00000 0.00000 0.00000 86 4PY 0.00000 -0.06646 0.00719 0.02174 -0.04824 87 4PZ 0.00000 -0.04302 0.01847 0.02092 -0.00450 88 5PX -0.04151 0.00000 0.00000 0.00000 0.00000 89 5PY 0.00000 -0.05065 -1.18494 -0.58569 0.55176 90 5PZ 0.00000 -1.00681 0.17734 -0.77128 -0.51305 91 7 H 1S 0.10035 -0.05793 0.11445 -0.20272 -0.03359 92 2S -3.64919 2.10686 -3.67507 -0.88358 0.62481 93 3S -0.03766 0.02174 -0.15046 -0.15833 0.05063 94 4PX -0.04889 0.03044 0.00623 0.01882 0.03786 95 4PY 0.03044 -0.01374 -0.00360 -0.01087 0.01733 96 4PZ -0.03726 0.02151 0.01847 0.02092 0.00225 97 5PX -0.04837 0.00396 -1.02618 -0.50723 -0.93222 98 5PY 0.00396 -0.04380 0.59247 0.29285 -1.06289 99 5PZ -0.87192 0.50340 0.17734 -0.77128 0.25652 100 8 H 1S -0.10035 -0.05793 0.11445 -0.20272 -0.03359 101 2S 3.64919 2.10686 -3.67507 -0.88358 0.62481 102 3S 0.03766 0.02174 -0.15046 -0.15833 0.05063 103 4PX -0.04889 -0.03044 -0.00623 -0.01882 -0.03786 104 4PY -0.03044 -0.01374 -0.00360 -0.01087 0.01733 105 4PZ 0.03726 0.02151 0.01847 0.02092 0.00225 106 5PX -0.04837 -0.00396 1.02618 0.50723 0.93222 107 5PY -0.00396 -0.04380 0.59247 0.29285 -1.06289 108 5PZ 0.87192 0.50340 0.17734 -0.77128 0.25652 76 77 78 79 80 (EU)--V (EG)--V (EG)--V (A2U)--V (EG)--V Eigenvalues -- 0.81304 0.90935 0.90935 0.96470 1.00149 1 1 Si 1S 0.00000 0.00000 0.00000 -0.04143 0.00000 2 2S 0.00000 0.00000 0.00000 -0.39928 0.00000 3 3S 0.00000 0.00000 0.00000 -1.53836 0.00000 4 4S 0.00000 0.00000 0.00000 21.61327 0.00000 5 5S 0.00000 0.00000 0.00000 -2.70627 0.00000 6 6PX -0.11739 -0.00094 0.00000 0.00000 -0.15304 7 6PY 0.00000 0.00000 -0.00094 0.00000 0.00000 8 6PZ 0.00000 0.00000 0.00000 -0.15710 0.00000 9 7PX 0.62275 -0.08548 0.00000 0.00000 1.11500 10 7PY 0.00000 0.00000 -0.08548 0.00000 0.00000 11 7PZ 0.00000 0.00000 0.00000 1.04742 0.00000 12 8PX -0.09145 4.90488 0.00000 0.00000 6.34206 13 8PY 0.00000 0.00000 4.90488 0.00000 0.00000 14 8PZ 0.00000 0.00000 0.00000 0.02928 0.00000 15 9PX -0.14798 0.57091 0.00000 0.00000 0.19585 16 9PY 0.00000 0.00000 0.57091 0.00000 0.00000 17 9PZ 0.00000 0.00000 0.00000 -0.61007 0.00000 18 10D 0 0.00000 0.00000 0.00000 -0.55099 0.00000 19 10D+1 0.22780 -0.58252 0.00000 0.00000 0.70122 20 10D-1 0.00000 0.00000 -0.58252 0.00000 0.00000 21 10D+2 0.00000 0.00000 -0.79419 0.00000 0.00000 22 10D-2 0.65065 -0.79419 0.00000 0.00000 -0.75742 23 11D 0 0.00000 0.00000 0.00000 0.58819 0.00000 24 11D+1 0.46440 -2.49328 0.00000 0.00000 -0.12149 25 11D-1 0.00000 0.00000 -2.49328 0.00000 0.00000 26 11D+2 0.00000 0.00000 -1.59858 0.00000 0.00000 27 11D-2 2.37416 -1.59858 0.00000 0.00000 -1.02131 28 2 Si 1S 0.00000 0.00000 0.00000 0.04143 0.00000 29 2S 0.00000 0.00000 0.00000 0.39928 0.00000 30 3S 0.00000 0.00000 0.00000 1.53836 0.00000 31 4S 0.00000 0.00000 0.00000 -21.61327 0.00000 32 5S 0.00000 0.00000 0.00000 2.70627 0.00000 33 6PX -0.11739 0.00094 0.00000 0.00000 0.15304 34 6PY 0.00000 0.00000 0.00094 0.00000 0.00000 35 6PZ 0.00000 0.00000 0.00000 -0.15710 0.00000 36 7PX 0.62275 0.08548 0.00000 0.00000 -1.11500 37 7PY 0.00000 0.00000 0.08548 0.00000 0.00000 38 7PZ 0.00000 0.00000 0.00000 1.04742 0.00000 39 8PX -0.09145 -4.90488 0.00000 0.00000 -6.34206 40 8PY 0.00000 0.00000 -4.90488 0.00000 0.00000 41 8PZ 0.00000 0.00000 0.00000 0.02928 0.00000 42 9PX -0.14798 -0.57091 0.00000 0.00000 -0.19585 43 9PY 0.00000 0.00000 -0.57091 0.00000 0.00000 44 9PZ 0.00000 0.00000 0.00000 -0.61007 0.00000 45 10D 0 0.00000 0.00000 0.00000 0.55099 0.00000 46 10D+1 -0.22780 -0.58252 0.00000 0.00000 0.70122 47 10D-1 0.00000 0.00000 -0.58252 0.00000 0.00000 48 10D+2 0.00000 0.00000 -0.79419 0.00000 0.00000 49 10D-2 -0.65065 -0.79419 0.00000 0.00000 -0.75742 50 11D 0 0.00000 0.00000 0.00000 -0.58819 0.00000 51 11D+1 -0.46440 -2.49328 0.00000 0.00000 -0.12149 52 11D-1 0.00000 0.00000 -2.49328 0.00000 0.00000 53 11D+2 0.00000 0.00000 -1.59858 0.00000 0.00000 54 11D-2 -2.37416 -1.59858 0.00000 0.00000 -1.02131 55 3 H 1S 0.00000 0.00000 -0.11897 0.28575 0.00000 56 2S 0.00000 0.00000 -2.80155 -6.18650 0.00000 57 3S 0.00000 0.00000 -0.52832 0.87290 0.00000 58 4PX 0.03919 -0.01758 0.00000 0.00000 0.00053 59 4PY 0.00000 0.00000 0.02405 0.00245 0.00000 60 4PZ 0.00000 0.00000 -0.03860 -0.00043 0.00000 61 5PX -1.60111 0.90681 0.00000 0.00000 -0.20800 62 5PY 0.00000 0.00000 0.02407 2.18747 0.00000 63 5PZ 0.00000 0.00000 1.70840 0.65358 0.00000 64 4 H 1S 0.05817 0.10303 0.05948 0.28575 -0.03353 65 2S -1.08221 2.42622 1.40078 -6.18650 5.71735 66 3S -0.08770 0.45754 0.26416 0.87290 0.71916 67 4PX -0.02638 0.01364 0.01802 -0.00212 -0.02357 68 4PY -0.03786 0.01802 -0.00717 -0.00123 -0.01391 69 4PZ 0.00390 0.03343 0.01930 -0.00043 -0.01544 70 5PX 0.01355 0.24476 -0.38223 -1.89441 1.48835 71 5PY 0.93222 -0.38223 0.68612 -1.09374 0.97939 72 5PZ 0.44431 -1.47952 -0.85420 0.65358 -0.89340 73 5 H 1S -0.05817 -0.10303 0.05948 0.28575 0.03353 74 2S 1.08221 -2.42622 1.40078 -6.18650 -5.71735 75 3S 0.08770 -0.45754 0.26416 0.87290 -0.71916 76 4PX -0.02638 0.01364 -0.01802 0.00212 -0.02357 77 4PY 0.03786 -0.01802 -0.00717 -0.00123 0.01391 78 4PZ -0.00390 -0.03343 0.01930 -0.00043 0.01544 79 5PX 0.01355 0.24476 0.38223 1.89441 1.48835 80 5PY -0.93222 0.38223 0.68612 -1.09374 -0.97939 81 5PZ -0.44431 1.47952 -0.85420 0.65358 0.89340 82 6 H 1S 0.00000 0.00000 -0.11897 -0.28575 0.00000 83 2S 0.00000 0.00000 -2.80155 6.18650 0.00000 84 3S 0.00000 0.00000 -0.52832 -0.87290 0.00000 85 4PX 0.03919 0.01758 0.00000 0.00000 -0.00053 86 4PY 0.00000 0.00000 -0.02405 0.00245 0.00000 87 4PZ 0.00000 0.00000 0.03860 -0.00043 0.00000 88 5PX -1.60111 -0.90681 0.00000 0.00000 0.20800 89 5PY 0.00000 0.00000 -0.02407 2.18747 0.00000 90 5PZ 0.00000 0.00000 -1.70840 0.65358 0.00000 91 7 H 1S 0.05817 -0.10303 0.05948 -0.28575 0.03353 92 2S -1.08221 -2.42622 1.40078 6.18650 -5.71735 93 3S -0.08770 -0.45754 0.26416 -0.87290 -0.71916 94 4PX -0.02638 -0.01364 0.01802 0.00212 0.02357 95 4PY 0.03786 0.01802 0.00717 -0.00123 -0.01391 96 4PZ -0.00390 0.03343 -0.01930 -0.00043 -0.01544 97 5PX 0.01355 -0.24476 -0.38223 1.89441 -1.48835 98 5PY -0.93222 -0.38223 -0.68612 -1.09374 0.97939 99 5PZ -0.44431 -1.47952 0.85420 0.65358 -0.89340 100 8 H 1S -0.05817 0.10303 0.05948 -0.28575 -0.03353 101 2S 1.08221 2.42622 1.40078 6.18650 5.71735 102 3S 0.08770 0.45754 0.26416 -0.87290 0.71916 103 4PX -0.02638 -0.01364 -0.01802 -0.00212 0.02357 104 4PY -0.03786 -0.01802 0.00717 -0.00123 0.01391 105 4PZ 0.00390 -0.03343 -0.01930 -0.00043 0.01544 106 5PX 0.01355 -0.24476 0.38223 -1.89441 -1.48835 107 5PY 0.93222 0.38223 -0.68612 -1.09374 -0.97939 108 5PZ 0.44431 1.47952 0.85420 0.65358 0.89340 81 82 83 84 85 (EG)--V (EU)--V (EU)--V (A2U)--V (A2U)--V Eigenvalues -- 1.00149 1.00751 1.00751 1.19268 1.27885 1 1 Si 1S 0.00000 0.00000 0.00000 0.01977 0.07970 2 2S 0.00000 0.00000 0.00000 0.09615 0.83296 3 3S 0.00000 0.00000 0.00000 0.58475 3.15551 4 4S 0.00000 0.00000 0.00000 5.47534 -12.14444 5 5S 0.00000 0.00000 0.00000 -1.46539 -6.47042 6 6PX 0.00000 -0.15920 0.00000 0.00000 0.00000 7 6PY 0.15304 0.00000 0.15920 0.00000 0.00000 8 6PZ 0.00000 0.00000 0.00000 0.10906 -0.02801 9 7PX 0.00000 1.11350 0.00000 0.00000 0.00000 10 7PY -1.11500 0.00000 -1.11350 0.00000 0.00000 11 7PZ 0.00000 0.00000 0.00000 -0.40183 -0.09823 12 8PX 0.00000 4.58278 0.00000 0.00000 0.00000 13 8PY -6.34206 0.00000 -4.58278 0.00000 0.00000 14 8PZ 0.00000 0.00000 0.00000 5.64706 14.06643 15 9PX 0.00000 0.47082 0.00000 0.00000 0.00000 16 9PY -0.19585 0.00000 -0.47082 0.00000 0.00000 17 9PZ 0.00000 0.00000 0.00000 0.25075 1.29782 18 10D 0 0.00000 0.00000 0.00000 0.59097 -1.08558 19 10D+1 0.00000 0.58004 0.00000 0.00000 0.00000 20 10D-1 -0.70122 0.00000 -0.58004 0.00000 0.00000 21 10D+2 0.75742 0.00000 0.84342 0.00000 0.00000 22 10D-2 0.00000 -0.84342 0.00000 0.00000 0.00000 23 11D 0 0.00000 0.00000 0.00000 -1.41857 -3.15674 24 11D+1 0.00000 0.47176 0.00000 0.00000 0.00000 25 11D-1 0.12149 0.00000 -0.47176 0.00000 0.00000 26 11D+2 1.02131 0.00000 1.35695 0.00000 0.00000 27 11D-2 0.00000 -1.35695 0.00000 0.00000 0.00000 28 2 Si 1S 0.00000 0.00000 0.00000 -0.01977 -0.07970 29 2S 0.00000 0.00000 0.00000 -0.09615 -0.83296 30 3S 0.00000 0.00000 0.00000 -0.58475 -3.15551 31 4S 0.00000 0.00000 0.00000 -5.47534 12.14444 32 5S 0.00000 0.00000 0.00000 1.46539 6.47042 33 6PX 0.00000 -0.15920 0.00000 0.00000 0.00000 34 6PY -0.15304 0.00000 0.15920 0.00000 0.00000 35 6PZ 0.00000 0.00000 0.00000 0.10906 -0.02801 36 7PX 0.00000 1.11350 0.00000 0.00000 0.00000 37 7PY 1.11500 0.00000 -1.11350 0.00000 0.00000 38 7PZ 0.00000 0.00000 0.00000 -0.40183 -0.09823 39 8PX 0.00000 4.58278 0.00000 0.00000 0.00000 40 8PY 6.34206 0.00000 -4.58278 0.00000 0.00000 41 8PZ 0.00000 0.00000 0.00000 5.64706 14.06643 42 9PX 0.00000 0.47082 0.00000 0.00000 0.00000 43 9PY 0.19585 0.00000 -0.47082 0.00000 0.00000 44 9PZ 0.00000 0.00000 0.00000 0.25075 1.29782 45 10D 0 0.00000 0.00000 0.00000 -0.59097 1.08558 46 10D+1 0.00000 -0.58004 0.00000 0.00000 0.00000 47 10D-1 -0.70122 0.00000 0.58004 0.00000 0.00000 48 10D+2 0.75742 0.00000 -0.84342 0.00000 0.00000 49 10D-2 0.00000 0.84342 0.00000 0.00000 0.00000 50 11D 0 0.00000 0.00000 0.00000 1.41857 3.15674 51 11D+1 0.00000 -0.47176 0.00000 0.00000 0.00000 52 11D-1 0.12149 0.00000 0.47176 0.00000 0.00000 53 11D+2 1.02131 0.00000 -1.35695 0.00000 0.00000 54 11D-2 0.00000 1.35695 0.00000 0.00000 0.00000 55 3 H 1S -0.03871 0.00000 -0.00572 0.63789 0.06439 56 2S 6.60182 0.00000 6.14094 -4.09550 -1.54329 57 3S 0.83042 0.00000 1.33930 0.04261 -0.00255 58 4PX 0.00000 -0.00793 0.00000 0.00000 0.00000 59 4PY 0.03161 0.00000 0.03891 0.01063 -0.04537 60 4PZ -0.01783 0.00000 0.02392 0.00990 0.00463 61 5PX 0.00000 0.06234 0.00000 0.00000 0.00000 62 5PY -2.05379 0.00000 -1.88477 1.16128 0.53533 63 5PZ -1.03161 0.00000 -1.06778 0.03085 -0.49236 64 4 H 1S 0.01936 -0.00496 0.00286 0.63789 0.06439 65 2S -3.30091 5.31821 -3.07047 -4.09550 -1.54329 66 3S -0.41521 1.15987 -0.66965 0.04261 -0.00255 67 4PX 0.01391 -0.03117 0.01341 -0.00920 0.03929 68 4PY 0.00751 -0.01341 0.01568 -0.00531 0.02268 69 4PZ 0.00891 0.02072 -0.01196 0.00990 0.00463 70 5PX -0.97939 1.42916 -0.78913 -1.00570 -0.46361 71 5PY -0.35745 0.78913 -0.51795 -0.58064 -0.26767 72 5PZ 0.51581 -0.92473 0.53389 0.03085 -0.49236 73 5 H 1S 0.01936 0.00496 0.00286 0.63789 0.06439 74 2S -3.30091 -5.31821 -3.07047 -4.09550 -1.54329 75 3S -0.41521 -1.15987 -0.66965 0.04261 -0.00255 76 4PX -0.01391 -0.03117 -0.01341 0.00920 -0.03929 77 4PY 0.00751 0.01341 0.01568 -0.00531 0.02268 78 4PZ 0.00891 -0.02072 -0.01196 0.00990 0.00463 79 5PX 0.97939 1.42916 0.78913 1.00570 0.46361 80 5PY -0.35745 -0.78913 -0.51795 -0.58064 -0.26767 81 5PZ 0.51581 0.92473 0.53389 0.03085 -0.49236 82 6 H 1S -0.03871 0.00000 0.00572 -0.63789 -0.06439 83 2S 6.60182 0.00000 -6.14094 4.09550 1.54329 84 3S 0.83042 0.00000 -1.33930 -0.04261 0.00255 85 4PX 0.00000 -0.00793 0.00000 0.00000 0.00000 86 4PY -0.03161 0.00000 0.03891 0.01063 -0.04537 87 4PZ 0.01783 0.00000 0.02392 0.00990 0.00463 88 5PX 0.00000 0.06234 0.00000 0.00000 0.00000 89 5PY 2.05379 0.00000 -1.88477 1.16128 0.53533 90 5PZ 1.03161 0.00000 -1.06778 0.03085 -0.49236 91 7 H 1S 0.01936 -0.00496 -0.00286 -0.63789 -0.06439 92 2S -3.30091 5.31821 3.07047 4.09550 1.54329 93 3S -0.41521 1.15987 0.66965 -0.04261 0.00255 94 4PX 0.01391 -0.03117 -0.01341 0.00920 -0.03929 95 4PY -0.00751 0.01341 0.01568 -0.00531 0.02268 96 4PZ -0.00891 -0.02072 -0.01196 0.00990 0.00463 97 5PX -0.97939 1.42916 0.78913 1.00570 0.46361 98 5PY 0.35745 -0.78913 -0.51795 -0.58064 -0.26767 99 5PZ -0.51581 0.92473 0.53389 0.03085 -0.49236 100 8 H 1S 0.01936 0.00496 -0.00286 -0.63789 -0.06439 101 2S -3.30091 -5.31821 3.07047 4.09550 1.54329 102 3S -0.41521 -1.15987 0.66965 -0.04261 0.00255 103 4PX -0.01391 -0.03117 0.01341 -0.00920 0.03929 104 4PY -0.00751 -0.01341 0.01568 -0.00531 0.02268 105 4PZ -0.00891 0.02072 -0.01196 0.00990 0.00463 106 5PX 0.97939 1.42916 -0.78913 -1.00570 -0.46361 107 5PY 0.35745 0.78913 -0.51795 -0.58064 -0.26767 108 5PZ -0.51581 -0.92473 0.53389 0.03085 -0.49236 86 87 88 89 90 (EG)--V (EG)--V (A1G)--V (EU)--V (EU)--V Eigenvalues -- 1.38495 1.38495 1.39882 1.44394 1.44394 1 1 Si 1S 0.00000 0.00000 -0.02273 0.00000 0.00000 2 2S 0.00000 0.00000 -0.20810 0.00000 0.00000 3 3S 0.00000 0.00000 -0.81443 0.00000 0.00000 4 4S 0.00000 0.00000 25.70236 0.00000 0.00000 5 5S 0.00000 0.00000 -2.44120 0.00000 0.00000 6 6PX 0.01790 0.00000 0.00000 0.02270 0.00000 7 6PY 0.00000 -0.01790 0.00000 0.00000 -0.02270 8 6PZ 0.00000 0.00000 -0.07411 0.00000 0.00000 9 7PX 0.21318 0.00000 0.00000 0.24235 0.00000 10 7PY 0.00000 -0.21318 0.00000 0.00000 -0.24235 11 7PZ 0.00000 0.00000 0.83529 0.00000 0.00000 12 8PX 8.11153 0.00000 0.00000 6.30134 0.00000 13 8PY 0.00000 -8.11153 0.00000 0.00000 -6.30134 14 8PZ 0.00000 0.00000 6.26080 0.00000 0.00000 15 9PX 0.65805 0.00000 0.00000 0.57843 0.00000 16 9PY 0.00000 -0.65805 0.00000 0.00000 -0.57843 17 9PZ 0.00000 0.00000 -0.00125 0.00000 0.00000 18 10D 0 0.00000 0.00000 -0.22704 0.00000 0.00000 19 10D+1 -0.27568 0.00000 0.00000 0.08180 0.00000 20 10D-1 0.00000 0.27568 0.00000 0.00000 -0.08180 21 10D+2 0.00000 -0.01288 0.00000 0.00000 -0.11632 22 10D-2 0.01288 0.00000 0.00000 0.11632 0.00000 23 11D 0 0.00000 0.00000 -2.15567 0.00000 0.00000 24 11D+1 -0.06850 0.00000 0.00000 1.39823 0.00000 25 11D-1 0.00000 0.06850 0.00000 0.00000 -1.39823 26 11D+2 0.00000 2.02344 0.00000 0.00000 2.40833 27 11D-2 -2.02344 0.00000 0.00000 -2.40833 0.00000 28 2 Si 1S 0.00000 0.00000 -0.02273 0.00000 0.00000 29 2S 0.00000 0.00000 -0.20810 0.00000 0.00000 30 3S 0.00000 0.00000 -0.81443 0.00000 0.00000 31 4S 0.00000 0.00000 25.70236 0.00000 0.00000 32 5S 0.00000 0.00000 -2.44120 0.00000 0.00000 33 6PX -0.01790 0.00000 0.00000 0.02270 0.00000 34 6PY 0.00000 0.01790 0.00000 0.00000 -0.02270 35 6PZ 0.00000 0.00000 0.07411 0.00000 0.00000 36 7PX -0.21318 0.00000 0.00000 0.24235 0.00000 37 7PY 0.00000 0.21318 0.00000 0.00000 -0.24235 38 7PZ 0.00000 0.00000 -0.83529 0.00000 0.00000 39 8PX -8.11153 0.00000 0.00000 6.30134 0.00000 40 8PY 0.00000 8.11153 0.00000 0.00000 -6.30134 41 8PZ 0.00000 0.00000 -6.26080 0.00000 0.00000 42 9PX -0.65805 0.00000 0.00000 0.57843 0.00000 43 9PY 0.00000 0.65805 0.00000 0.00000 -0.57843 44 9PZ 0.00000 0.00000 0.00125 0.00000 0.00000 45 10D 0 0.00000 0.00000 -0.22704 0.00000 0.00000 46 10D+1 -0.27568 0.00000 0.00000 -0.08180 0.00000 47 10D-1 0.00000 0.27568 0.00000 0.00000 0.08180 48 10D+2 0.00000 -0.01288 0.00000 0.00000 0.11632 49 10D-2 0.01288 0.00000 0.00000 -0.11632 0.00000 50 11D 0 0.00000 0.00000 -2.15567 0.00000 0.00000 51 11D+1 -0.06850 0.00000 0.00000 -1.39823 0.00000 52 11D-1 0.00000 0.06850 0.00000 0.00000 1.39823 53 11D+2 0.00000 2.02344 0.00000 0.00000 -2.40833 54 11D-2 -2.02344 0.00000 0.00000 2.40833 0.00000 55 3 H 1S 0.00000 -1.13720 0.73558 0.00000 -1.14738 56 2S 0.00000 8.21677 -9.63081 0.00000 8.16322 57 3S 0.00000 1.00059 0.40715 0.00000 1.24382 58 4PX 0.02658 0.00000 0.00000 0.05035 0.00000 59 4PY 0.00000 -0.05746 -0.00892 0.00000 -0.07297 60 4PZ 0.00000 0.01201 0.02915 0.00000 -0.03343 61 5PX -0.10109 0.00000 0.00000 -0.14916 0.00000 62 5PY 0.00000 -1.39461 2.96877 0.00000 -1.51016 63 5PZ 0.00000 -1.25962 0.84624 0.00000 -0.67864 64 4 H 1S -0.98484 0.56860 0.73558 -0.99366 0.57369 65 2S 7.11593 -4.10838 -9.63081 7.06956 -4.08161 66 3S 0.86654 -0.50030 0.40715 1.07718 -0.62191 67 4PX 0.04974 -0.01337 0.00772 0.06731 -0.00979 68 4PY 0.01337 -0.03430 0.00446 0.00979 -0.05600 69 4PZ 0.01040 -0.00601 0.02915 -0.02895 0.01672 70 5PX 1.02068 -0.64765 -2.57103 1.09533 -0.71851 71 5PY 0.64765 -0.27283 -1.48439 0.71851 -0.26567 72 5PZ -1.09087 0.62981 0.84624 -0.58772 0.33932 73 5 H 1S 0.98484 0.56860 0.73558 0.99366 0.57369 74 2S -7.11593 -4.10838 -9.63081 -7.06956 -4.08161 75 3S -0.86654 -0.50030 0.40715 -1.07718 -0.62191 76 4PX 0.04974 0.01337 -0.00772 0.06731 0.00979 77 4PY -0.01337 -0.03430 0.00446 -0.00979 -0.05600 78 4PZ -0.01040 -0.00601 0.02915 0.02895 0.01672 79 5PX 1.02068 0.64765 2.57103 1.09533 0.71851 80 5PY -0.64765 -0.27283 -1.48439 -0.71851 -0.26567 81 5PZ 1.09087 0.62981 0.84624 0.58772 0.33932 82 6 H 1S 0.00000 -1.13720 0.73558 0.00000 1.14738 83 2S 0.00000 8.21677 -9.63081 0.00000 -8.16322 84 3S 0.00000 1.00059 0.40715 0.00000 -1.24382 85 4PX -0.02658 0.00000 0.00000 0.05035 0.00000 86 4PY 0.00000 0.05746 0.00892 0.00000 -0.07297 87 4PZ 0.00000 -0.01201 -0.02915 0.00000 -0.03343 88 5PX 0.10109 0.00000 0.00000 -0.14916 0.00000 89 5PY 0.00000 1.39461 -2.96877 0.00000 -1.51016 90 5PZ 0.00000 1.25962 -0.84624 0.00000 -0.67864 91 7 H 1S 0.98484 0.56860 0.73558 -0.99366 -0.57369 92 2S -7.11593 -4.10838 -9.63081 7.06956 4.08161 93 3S -0.86654 -0.50030 0.40715 1.07718 0.62191 94 4PX -0.04974 -0.01337 0.00772 0.06731 0.00979 95 4PY 0.01337 0.03430 -0.00446 -0.00979 -0.05600 96 4PZ 0.01040 0.00601 -0.02915 0.02895 0.01672 97 5PX -1.02068 -0.64765 -2.57103 1.09533 0.71851 98 5PY 0.64765 0.27283 1.48439 -0.71851 -0.26567 99 5PZ -1.09087 -0.62981 -0.84624 0.58772 0.33932 100 8 H 1S -0.98484 0.56860 0.73558 0.99366 -0.57369 101 2S 7.11593 -4.10838 -9.63081 -7.06956 4.08161 102 3S 0.86654 -0.50030 0.40715 -1.07718 0.62191 103 4PX -0.04974 0.01337 -0.00772 0.06731 -0.00979 104 4PY -0.01337 0.03430 -0.00446 0.00979 -0.05600 105 4PZ -0.01040 0.00601 -0.02915 -0.02895 0.01672 106 5PX -1.02068 0.64765 2.57103 1.09533 -0.71851 107 5PY -0.64765 0.27283 1.48439 0.71851 -0.26567 108 5PZ 1.09087 -0.62981 -0.84624 -0.58772 0.33932 91 92 93 94 95 (A1U)--V (A2G)--V (EG)--V (EG)--V (EU)--V Eigenvalues -- 1.77247 1.80640 1.90975 1.90975 1.91054 1 1 Si 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6PX 0.00000 0.00000 0.00000 0.01468 -0.00644 7 6PY 0.00000 0.00000 0.01468 0.00000 0.00000 8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PX 0.00000 0.00000 0.00000 -0.01250 -0.01254 10 7PY 0.00000 0.00000 -0.01250 0.00000 0.00000 11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PX 0.00000 0.00000 0.00000 1.37067 -0.19662 13 8PY 0.00000 0.00000 1.37067 0.00000 0.00000 14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PX 0.00000 0.00000 0.00000 0.10178 -0.14674 16 9PY 0.00000 0.00000 0.10178 0.00000 0.00000 17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000 19 10D+1 0.00000 0.00000 0.00000 0.25055 -0.16405 20 10D-1 0.00000 0.00000 0.25055 0.00000 0.00000 21 10D+2 0.00000 0.00000 -0.19037 0.00000 0.00000 22 10D-2 0.00000 0.00000 0.00000 -0.19037 0.09191 23 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 24 11D+1 0.00000 0.00000 0.00000 -0.35960 0.48680 25 11D-1 0.00000 0.00000 -0.35960 0.00000 0.00000 26 11D+2 0.00000 0.00000 -0.00384 0.00000 0.00000 27 11D-2 0.00000 0.00000 0.00000 -0.00384 -0.45413 28 2 Si 1S 0.00000 0.00000 0.00000 0.00000 0.00000 29 2S 0.00000 0.00000 0.00000 0.00000 0.00000 30 3S 0.00000 0.00000 0.00000 0.00000 0.00000 31 4S 0.00000 0.00000 0.00000 0.00000 0.00000 32 5S 0.00000 0.00000 0.00000 0.00000 0.00000 33 6PX 0.00000 0.00000 0.00000 -0.01468 -0.00644 34 6PY 0.00000 0.00000 -0.01468 0.00000 0.00000 35 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 7PX 0.00000 0.00000 0.00000 0.01250 -0.01254 37 7PY 0.00000 0.00000 0.01250 0.00000 0.00000 38 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 8PX 0.00000 0.00000 0.00000 -1.37067 -0.19662 40 8PY 0.00000 0.00000 -1.37067 0.00000 0.00000 41 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 42 9PX 0.00000 0.00000 0.00000 -0.10178 -0.14674 43 9PY 0.00000 0.00000 -0.10178 0.00000 0.00000 44 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000 46 10D+1 0.00000 0.00000 0.00000 0.25055 0.16405 47 10D-1 0.00000 0.00000 0.25055 0.00000 0.00000 48 10D+2 0.00000 0.00000 -0.19037 0.00000 0.00000 49 10D-2 0.00000 0.00000 0.00000 -0.19037 -0.09191 50 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 51 11D+1 0.00000 0.00000 0.00000 -0.35960 -0.48680 52 11D-1 0.00000 0.00000 -0.35960 0.00000 0.00000 53 11D+2 0.00000 0.00000 -0.00384 0.00000 0.00000 54 11D-2 0.00000 0.00000 0.00000 -0.00384 0.45413 55 3 H 1S 0.00000 0.00000 -0.10233 0.00000 0.00000 56 2S 0.00000 0.00000 -0.63251 0.00000 0.00000 57 3S 0.00000 0.00000 -0.08948 0.00000 0.00000 58 4PX 0.46988 0.47633 0.00000 0.44303 -0.29929 59 4PY 0.00000 0.00000 0.21303 0.00000 0.00000 60 4PZ 0.00000 0.00000 -0.48373 0.00000 0.00000 61 5PX -0.32247 -0.36633 0.00000 -0.40478 0.40113 62 5PY 0.00000 0.00000 0.01061 0.00000 0.00000 63 5PZ 0.00000 0.00000 0.48132 0.00000 0.00000 64 4 H 1S 0.00000 0.00000 0.05116 0.08862 -0.04425 65 2S 0.00000 0.00000 0.31625 0.54777 0.15770 66 3S 0.00000 0.00000 0.04474 0.07749 -0.20208 67 4PX -0.23494 -0.23817 -0.09959 0.27053 -0.25892 68 4PY 0.40692 0.41252 0.38553 -0.09959 0.02331 69 4PZ 0.00000 0.00000 0.24187 0.41893 -0.51193 70 5PX 0.16123 0.18317 0.17987 -0.09324 0.20384 71 5PY -0.27926 -0.31726 -0.30093 0.17987 -0.11391 72 5PZ 0.00000 0.00000 -0.24066 -0.41684 0.61785 73 5 H 1S 0.00000 0.00000 0.05116 -0.08862 0.04425 74 2S 0.00000 0.00000 0.31625 -0.54777 -0.15770 75 3S 0.00000 0.00000 0.04474 -0.07749 0.20208 76 4PX -0.23494 -0.23817 0.09959 0.27053 -0.25892 77 4PY -0.40692 -0.41252 0.38553 0.09959 -0.02331 78 4PZ 0.00000 0.00000 0.24187 -0.41893 0.51193 79 5PX 0.16123 0.18317 -0.17987 -0.09324 0.20384 80 5PY 0.27926 0.31726 -0.30093 -0.17987 0.11391 81 5PZ 0.00000 0.00000 -0.24066 0.41684 -0.61785 82 6 H 1S 0.00000 0.00000 -0.10233 0.00000 0.00000 83 2S 0.00000 0.00000 -0.63251 0.00000 0.00000 84 3S 0.00000 0.00000 -0.08948 0.00000 0.00000 85 4PX 0.46988 -0.47633 0.00000 -0.44303 -0.29929 86 4PY 0.00000 0.00000 -0.21303 0.00000 0.00000 87 4PZ 0.00000 0.00000 0.48373 0.00000 0.00000 88 5PX -0.32247 0.36633 0.00000 0.40478 0.40113 89 5PY 0.00000 0.00000 -0.01061 0.00000 0.00000 90 5PZ 0.00000 0.00000 -0.48132 0.00000 0.00000 91 7 H 1S 0.00000 0.00000 0.05116 -0.08862 -0.04425 92 2S 0.00000 0.00000 0.31625 -0.54777 0.15770 93 3S 0.00000 0.00000 0.04474 -0.07749 -0.20208 94 4PX -0.23494 0.23817 -0.09959 -0.27053 -0.25892 95 4PY -0.40692 0.41252 -0.38553 -0.09959 -0.02331 96 4PZ 0.00000 0.00000 -0.24187 0.41893 0.51193 97 5PX 0.16123 -0.18317 0.17987 0.09324 0.20384 98 5PY 0.27926 -0.31726 0.30093 0.17987 0.11391 99 5PZ 0.00000 0.00000 0.24066 -0.41684 -0.61785 100 8 H 1S 0.00000 0.00000 0.05116 0.08862 0.04425 101 2S 0.00000 0.00000 0.31625 0.54777 -0.15770 102 3S 0.00000 0.00000 0.04474 0.07749 0.20208 103 4PX -0.23494 0.23817 0.09959 -0.27053 -0.25892 104 4PY 0.40692 -0.41252 -0.38553 0.09959 0.02331 105 4PZ 0.00000 0.00000 -0.24187 -0.41893 -0.51193 106 5PX 0.16123 -0.18317 -0.17987 0.09324 0.20384 107 5PY -0.27926 0.31726 0.30093 -0.17987 -0.11391 108 5PZ 0.00000 0.00000 0.24066 0.41684 0.61785 96 97 98 99 100 (EU)--V (A2U)--V (A1G)--V (EG)--V (EG)--V Eigenvalues -- 1.91054 2.00863 2.02243 2.12598 2.12598 1 1 Si 1S 0.00000 -0.00414 0.01317 0.00000 0.00000 2 2S 0.00000 -0.05471 -0.00561 0.00000 0.00000 3 3S 0.00000 -0.18346 0.26275 0.00000 0.00000 4 4S 0.00000 1.92945 0.26320 0.00000 0.00000 5 5S 0.00000 0.52904 -0.37373 0.00000 0.00000 6 6PX 0.00000 0.00000 0.00000 0.00000 -0.04161 7 6PY 0.00644 0.00000 0.00000 -0.04161 0.00000 8 6PZ 0.00000 0.01063 0.04068 0.00000 0.00000 9 7PX 0.00000 0.00000 0.00000 0.00000 0.28865 10 7PY 0.01254 0.00000 0.00000 0.28865 0.00000 11 7PZ 0.00000 0.06573 -0.23000 0.00000 0.00000 12 8PX 0.00000 0.00000 0.00000 0.00000 -0.51870 13 8PY 0.19662 0.00000 0.00000 -0.51870 0.00000 14 8PZ 0.00000 0.53034 1.11238 0.00000 0.00000 15 9PX 0.00000 0.00000 0.00000 0.00000 -0.60994 16 9PY 0.14674 0.00000 0.00000 -0.60994 0.00000 17 9PZ 0.00000 -0.18925 -0.02550 0.00000 0.00000 18 10D 0 0.00000 -0.27487 -0.23494 0.00000 0.00000 19 10D+1 0.00000 0.00000 0.00000 0.00000 -0.05667 20 10D-1 0.16405 0.00000 0.00000 -0.05667 0.00000 21 10D+2 -0.09191 0.00000 0.00000 -0.34255 0.00000 22 10D-2 0.00000 0.00000 0.00000 0.00000 -0.34255 23 11D 0 0.00000 0.36377 0.33590 0.00000 0.00000 24 11D+1 0.00000 0.00000 0.00000 0.00000 1.04647 25 11D-1 -0.48680 0.00000 0.00000 1.04647 0.00000 26 11D+2 0.45413 0.00000 0.00000 0.77414 0.00000 27 11D-2 0.00000 0.00000 0.00000 0.00000 0.77414 28 2 Si 1S 0.00000 0.00414 0.01317 0.00000 0.00000 29 2S 0.00000 0.05471 -0.00561 0.00000 0.00000 30 3S 0.00000 0.18346 0.26275 0.00000 0.00000 31 4S 0.00000 -1.92945 0.26320 0.00000 0.00000 32 5S 0.00000 -0.52904 -0.37373 0.00000 0.00000 33 6PX 0.00000 0.00000 0.00000 0.00000 0.04161 34 6PY 0.00644 0.00000 0.00000 0.04161 0.00000 35 6PZ 0.00000 0.01063 -0.04068 0.00000 0.00000 36 7PX 0.00000 0.00000 0.00000 0.00000 -0.28865 37 7PY 0.01254 0.00000 0.00000 -0.28865 0.00000 38 7PZ 0.00000 0.06573 0.23000 0.00000 0.00000 39 8PX 0.00000 0.00000 0.00000 0.00000 0.51870 40 8PY 0.19662 0.00000 0.00000 0.51870 0.00000 41 8PZ 0.00000 0.53034 -1.11238 0.00000 0.00000 42 9PX 0.00000 0.00000 0.00000 0.00000 0.60994 43 9PY 0.14674 0.00000 0.00000 0.60994 0.00000 44 9PZ 0.00000 -0.18925 0.02550 0.00000 0.00000 45 10D 0 0.00000 0.27487 -0.23494 0.00000 0.00000 46 10D+1 0.00000 0.00000 0.00000 0.00000 -0.05667 47 10D-1 -0.16405 0.00000 0.00000 -0.05667 0.00000 48 10D+2 0.09191 0.00000 0.00000 -0.34255 0.00000 49 10D-2 0.00000 0.00000 0.00000 0.00000 -0.34255 50 11D 0 0.00000 -0.36377 0.33590 0.00000 0.00000 51 11D+1 0.00000 0.00000 0.00000 0.00000 1.04647 52 11D-1 0.48680 0.00000 0.00000 1.04647 0.00000 53 11D+2 -0.45413 0.00000 0.00000 0.77414 0.00000 54 11D-2 0.00000 0.00000 0.00000 0.00000 0.77414 55 3 H 1S -0.05109 -0.00414 -0.08646 -0.15675 0.00000 56 2S 0.18210 -0.62648 -0.07017 0.17510 0.00000 57 3S -0.23334 0.03943 0.09987 0.58590 0.00000 58 4PX 0.00000 0.00000 0.00000 0.00000 0.54385 59 4PY 0.24546 -0.13556 -0.04602 0.10875 0.00000 60 4PZ -0.59113 0.48620 0.50848 0.52378 0.00000 61 5PX 0.00000 0.00000 0.00000 0.00000 -0.72737 62 5PY -0.13808 0.30886 0.18312 0.12642 0.00000 63 5PZ 0.71344 -0.35429 -0.57741 -0.65978 0.00000 64 4 H 1S 0.02555 -0.00414 -0.08646 0.07837 0.13575 65 2S -0.09105 -0.62648 -0.07017 -0.08755 -0.15164 66 3S 0.11667 0.03943 0.09987 -0.29295 -0.50740 67 4PX -0.02331 0.11740 0.03986 -0.18840 0.21753 68 4PY 0.28583 0.06778 0.02301 0.43508 -0.18840 69 4PZ 0.29556 0.48620 0.50848 -0.26189 -0.45361 70 5PX 0.11391 -0.26748 -0.15859 0.36970 -0.08703 71 5PY -0.33537 -0.15443 -0.09156 -0.51392 0.36970 72 5PZ -0.35672 -0.35429 -0.57741 0.32989 0.57138 73 5 H 1S 0.02555 -0.00414 -0.08646 0.07837 -0.13575 74 2S -0.09105 -0.62648 -0.07017 -0.08755 0.15164 75 3S 0.11667 0.03943 0.09987 -0.29295 0.50740 76 4PX 0.02331 -0.11740 -0.03986 0.18840 0.21753 77 4PY 0.28583 0.06778 0.02301 0.43508 0.18840 78 4PZ 0.29556 0.48620 0.50848 -0.26189 0.45361 79 5PX -0.11391 0.26748 0.15859 -0.36970 -0.08703 80 5PY -0.33537 -0.15443 -0.09156 -0.51392 -0.36970 81 5PZ -0.35672 -0.35429 -0.57741 0.32989 -0.57138 82 6 H 1S 0.05109 0.00414 -0.08646 -0.15675 0.00000 83 2S -0.18210 0.62648 -0.07017 0.17510 0.00000 84 3S 0.23334 -0.03943 0.09987 0.58590 0.00000 85 4PX 0.00000 0.00000 0.00000 0.00000 -0.54385 86 4PY 0.24546 -0.13556 0.04602 -0.10875 0.00000 87 4PZ -0.59113 0.48620 -0.50848 -0.52378 0.00000 88 5PX 0.00000 0.00000 0.00000 0.00000 0.72737 89 5PY -0.13808 0.30886 -0.18312 -0.12642 0.00000 90 5PZ 0.71344 -0.35429 0.57741 0.65978 0.00000 91 7 H 1S -0.02555 0.00414 -0.08646 0.07837 -0.13575 92 2S 0.09105 0.62648 -0.07017 -0.08755 0.15164 93 3S -0.11667 -0.03943 0.09987 -0.29295 0.50740 94 4PX 0.02331 -0.11740 0.03986 -0.18840 -0.21753 95 4PY 0.28583 0.06778 -0.02301 -0.43508 -0.18840 96 4PZ 0.29556 0.48620 -0.50848 0.26189 -0.45361 97 5PX -0.11391 0.26748 -0.15859 0.36970 0.08703 98 5PY -0.33537 -0.15443 0.09156 0.51392 0.36970 99 5PZ -0.35672 -0.35429 0.57741 -0.32989 0.57138 100 8 H 1S -0.02555 0.00414 -0.08646 0.07837 0.13575 101 2S 0.09105 0.62648 -0.07017 -0.08755 -0.15164 102 3S -0.11667 -0.03943 0.09987 -0.29295 -0.50740 103 4PX -0.02331 0.11740 -0.03986 0.18840 -0.21753 104 4PY 0.28583 0.06778 -0.02301 -0.43508 0.18840 105 4PZ 0.29556 0.48620 -0.50848 0.26189 0.45361 106 5PX 0.11391 -0.26748 0.15859 -0.36970 0.08703 107 5PY -0.33537 -0.15443 0.09156 0.51392 -0.36970 108 5PZ -0.35672 -0.35429 0.57741 -0.32989 -0.57138 101 102 103 104 105 (EU)--V (EU)--V (A1G)--V (A2U)--V (EG)--V Eigenvalues -- 2.13102 2.13102 2.17723 2.22855 2.28978 1 1 Si 1S 0.00000 0.00000 0.03310 -0.04231 0.00000 2 2S 0.00000 0.00000 -0.00647 -0.15616 0.00000 3 3S 0.00000 0.00000 0.68373 -1.17686 0.00000 4 4S 0.00000 0.00000 -0.62308 4.68296 0.00000 5 5S 0.00000 0.00000 1.01531 -0.26258 0.00000 6 6PX 0.00523 0.00000 0.00000 0.00000 0.00000 7 6PY 0.00000 0.00523 0.00000 0.00000 -0.13046 8 6PZ 0.00000 0.00000 -0.05298 0.07913 0.00000 9 7PX 0.00772 0.00000 0.00000 0.00000 0.00000 10 7PY 0.00000 0.00772 0.00000 0.00000 0.85119 11 7PZ 0.00000 0.00000 0.32901 -0.40203 0.00000 12 8PX -0.10272 0.00000 0.00000 0.00000 0.00000 13 8PY 0.00000 -0.10272 0.00000 0.00000 3.46488 14 8PZ 0.00000 0.00000 -0.34954 -2.25609 0.00000 15 9PX -0.30390 0.00000 0.00000 0.00000 0.00000 16 9PY 0.00000 -0.30390 0.00000 0.00000 0.11997 17 9PZ 0.00000 0.00000 0.03029 0.32515 0.00000 18 10D 0 0.00000 0.00000 -0.16476 0.52189 0.00000 19 10D+1 -0.09439 0.00000 0.00000 0.00000 0.00000 20 10D-1 0.00000 -0.09439 0.00000 0.00000 0.57536 21 10D+2 0.00000 -0.27160 0.00000 0.00000 -0.59063 22 10D-2 -0.27160 0.00000 0.00000 0.00000 0.00000 23 11D 0 0.00000 0.00000 -0.02708 0.41945 0.00000 24 11D+1 0.30230 0.00000 0.00000 0.00000 0.00000 25 11D-1 0.00000 0.30230 0.00000 0.00000 -0.77528 26 11D+2 0.00000 1.34832 0.00000 0.00000 -0.71388 27 11D-2 1.34832 0.00000 0.00000 0.00000 0.00000 28 2 Si 1S 0.00000 0.00000 0.03310 0.04231 0.00000 29 2S 0.00000 0.00000 -0.00647 0.15616 0.00000 30 3S 0.00000 0.00000 0.68373 1.17686 0.00000 31 4S 0.00000 0.00000 -0.62308 -4.68296 0.00000 32 5S 0.00000 0.00000 1.01531 0.26258 0.00000 33 6PX 0.00523 0.00000 0.00000 0.00000 0.00000 34 6PY 0.00000 0.00523 0.00000 0.00000 0.13046 35 6PZ 0.00000 0.00000 0.05298 0.07913 0.00000 36 7PX 0.00772 0.00000 0.00000 0.00000 0.00000 37 7PY 0.00000 0.00772 0.00000 0.00000 -0.85119 38 7PZ 0.00000 0.00000 -0.32901 -0.40203 0.00000 39 8PX -0.10272 0.00000 0.00000 0.00000 0.00000 40 8PY 0.00000 -0.10272 0.00000 0.00000 -3.46488 41 8PZ 0.00000 0.00000 0.34954 -2.25609 0.00000 42 9PX -0.30390 0.00000 0.00000 0.00000 0.00000 43 9PY 0.00000 -0.30390 0.00000 0.00000 -0.11997 44 9PZ 0.00000 0.00000 -0.03029 0.32515 0.00000 45 10D 0 0.00000 0.00000 -0.16476 -0.52189 0.00000 46 10D+1 0.09439 0.00000 0.00000 0.00000 0.00000 47 10D-1 0.00000 0.09439 0.00000 0.00000 0.57536 48 10D+2 0.00000 0.27160 0.00000 0.00000 -0.59063 49 10D-2 0.27160 0.00000 0.00000 0.00000 0.00000 50 11D 0 0.00000 0.00000 -0.02708 -0.41945 0.00000 51 11D+1 -0.30230 0.00000 0.00000 0.00000 0.00000 52 11D-1 0.00000 -0.30230 0.00000 0.00000 -0.77528 53 11D+2 0.00000 -1.34832 0.00000 0.00000 -0.71388 54 11D-2 -1.34832 0.00000 0.00000 0.00000 0.00000 55 3 H 1S 0.00000 -0.15464 -0.04981 0.12532 -0.27657 56 2S 0.00000 0.93554 -0.23150 -0.21195 -2.99004 57 3S 0.00000 0.49638 -0.18887 -0.21597 0.01903 58 4PX 0.67379 0.00000 0.00000 0.00000 0.00000 59 4PY 0.00000 -0.08693 0.53510 -0.52570 0.82325 60 4PZ 0.00000 0.30892 0.05886 -0.17374 0.12393 61 5PX -0.90301 0.00000 0.00000 0.00000 0.00000 62 5PY 0.00000 0.06156 -0.18000 0.29262 0.35882 63 5PZ 0.00000 -0.42607 0.14816 0.26002 0.66997 64 4 H 1S 0.13393 0.07732 -0.04981 0.12532 0.13828 65 2S -0.81020 -0.46777 -0.23150 -0.21195 1.49502 66 3S -0.42988 -0.24819 -0.18887 -0.21597 -0.00951 67 4PX 0.10325 -0.32940 -0.46341 0.45527 0.44133 68 4PY -0.32940 0.48361 -0.26755 0.26285 0.05883 69 4PZ -0.26753 -0.15446 0.05886 -0.17374 -0.06197 70 5PX -0.17958 0.41767 0.15588 -0.25342 0.11664 71 5PY 0.41767 -0.66187 0.09000 -0.14631 0.15680 72 5PZ 0.36898 0.21303 0.14816 0.26002 -0.33498 73 5 H 1S -0.13393 0.07732 -0.04981 0.12532 0.13828 74 2S 0.81020 -0.46777 -0.23150 -0.21195 1.49502 75 3S 0.42988 -0.24819 -0.18887 -0.21597 -0.00951 76 4PX 0.10325 0.32940 0.46341 -0.45527 -0.44133 77 4PY 0.32940 0.48361 -0.26755 0.26285 0.05883 78 4PZ 0.26753 -0.15446 0.05886 -0.17374 -0.06197 79 5PX -0.17958 -0.41767 -0.15588 0.25342 -0.11664 80 5PY -0.41767 -0.66187 0.09000 -0.14631 0.15680 81 5PZ -0.36898 0.21303 0.14816 0.26002 -0.33498 82 6 H 1S 0.00000 0.15464 -0.04981 -0.12532 -0.27657 83 2S 0.00000 -0.93554 -0.23150 0.21195 -2.99004 84 3S 0.00000 -0.49638 -0.18887 0.21597 0.01903 85 4PX 0.67379 0.00000 0.00000 0.00000 0.00000 86 4PY 0.00000 -0.08693 -0.53510 -0.52570 -0.82325 87 4PZ 0.00000 0.30892 -0.05886 -0.17374 -0.12393 88 5PX -0.90301 0.00000 0.00000 0.00000 0.00000 89 5PY 0.00000 0.06156 0.18000 0.29262 -0.35882 90 5PZ 0.00000 -0.42607 -0.14816 0.26002 -0.66997 91 7 H 1S 0.13393 -0.07732 -0.04981 -0.12532 0.13828 92 2S -0.81020 0.46777 -0.23150 0.21195 1.49502 93 3S -0.42988 0.24819 -0.18887 0.21597 -0.00951 94 4PX 0.10325 0.32940 -0.46341 -0.45527 0.44133 95 4PY 0.32940 0.48361 0.26755 0.26285 -0.05883 96 4PZ 0.26753 -0.15446 -0.05886 -0.17374 0.06197 97 5PX -0.17958 -0.41767 0.15588 0.25342 0.11664 98 5PY -0.41767 -0.66187 -0.09000 -0.14631 -0.15680 99 5PZ -0.36898 0.21303 -0.14816 0.26002 0.33498 100 8 H 1S -0.13393 -0.07732 -0.04981 -0.12532 0.13828 101 2S 0.81020 0.46777 -0.23150 0.21195 1.49502 102 3S 0.42988 0.24819 -0.18887 0.21597 -0.00951 103 4PX 0.10325 -0.32940 0.46341 0.45527 -0.44133 104 4PY -0.32940 0.48361 0.26755 0.26285 -0.05883 105 4PZ -0.26753 -0.15446 -0.05886 -0.17374 0.06197 106 5PX -0.17958 0.41767 -0.15588 -0.25342 -0.11664 107 5PY 0.41767 -0.66187 -0.09000 -0.14631 -0.15680 108 5PZ 0.36898 0.21303 -0.14816 0.26002 0.33498 106 107 108 (EG)--V (EU)--V (EU)--V Eigenvalues -- 2.28978 2.37714 2.37714 1 1 Si 1S 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 6 6PX -0.13046 -0.14690 0.00000 7 6PY 0.00000 0.00000 0.14690 8 6PZ 0.00000 0.00000 0.00000 9 7PX 0.85119 0.96402 0.00000 10 7PY 0.00000 0.00000 -0.96402 11 7PZ 0.00000 0.00000 0.00000 12 8PX 3.46488 1.77277 0.00000 13 8PY 0.00000 0.00000 -1.77277 14 8PZ 0.00000 0.00000 0.00000 15 9PX 0.11997 -0.15669 0.00000 16 9PY 0.00000 0.00000 0.15669 17 9PZ 0.00000 0.00000 0.00000 18 10D 0 0.00000 0.00000 0.00000 19 10D+1 0.57536 0.56311 0.00000 20 10D-1 0.00000 0.00000 -0.56311 21 10D+2 0.00000 0.00000 0.73518 22 10D-2 -0.59063 -0.73518 0.00000 23 11D 0 0.00000 0.00000 0.00000 24 11D+1 -0.77528 0.18379 0.00000 25 11D-1 0.00000 0.00000 -0.18379 26 11D+2 0.00000 0.00000 0.59192 27 11D-2 -0.71388 -0.59192 0.00000 28 2 Si 1S 0.00000 0.00000 0.00000 29 2S 0.00000 0.00000 0.00000 30 3S 0.00000 0.00000 0.00000 31 4S 0.00000 0.00000 0.00000 32 5S 0.00000 0.00000 0.00000 33 6PX 0.13046 -0.14690 0.00000 34 6PY 0.00000 0.00000 0.14690 35 6PZ 0.00000 0.00000 0.00000 36 7PX -0.85119 0.96402 0.00000 37 7PY 0.00000 0.00000 -0.96402 38 7PZ 0.00000 0.00000 0.00000 39 8PX -3.46488 1.77277 0.00000 40 8PY 0.00000 0.00000 -1.77277 41 8PZ 0.00000 0.00000 0.00000 42 9PX -0.11997 -0.15669 0.00000 43 9PY 0.00000 0.00000 0.15669 44 9PZ 0.00000 0.00000 0.00000 45 10D 0 0.00000 0.00000 0.00000 46 10D+1 0.57536 -0.56311 0.00000 47 10D-1 0.00000 0.00000 0.56311 48 10D+2 0.00000 0.00000 -0.73518 49 10D-2 -0.59063 0.73518 0.00000 50 11D 0 0.00000 0.00000 0.00000 51 11D+1 -0.77528 -0.18379 0.00000 52 11D-1 0.00000 0.00000 0.18379 53 11D+2 0.00000 0.00000 -0.59192 54 11D-2 -0.71388 0.59192 0.00000 55 3 H 1S 0.00000 0.00000 0.36138 56 2S 0.00000 0.00000 2.44332 57 3S 0.00000 0.00000 -0.29234 58 4PX -0.19597 -0.01214 0.00000 59 4PY 0.00000 0.00000 -0.82755 60 4PZ 0.00000 0.00000 -0.30236 61 5PX 0.08946 0.00468 0.00000 62 5PY 0.00000 0.00000 -0.30149 63 5PZ 0.00000 0.00000 -0.25348 64 4 H 1S 0.23952 0.31296 -0.18069 65 2S 2.58945 2.11597 -1.22166 66 3S -0.01648 -0.25317 0.14617 67 4PX 0.56844 0.61763 -0.36360 68 4PY 0.44133 0.36360 -0.19778 69 4PZ -0.10733 -0.26185 0.15118 70 5PX 0.29148 0.22729 -0.12852 71 5PY 0.11664 0.12852 -0.07888 72 5PZ -0.58021 -0.21952 0.12674 73 5 H 1S -0.23952 -0.31296 -0.18069 74 2S -2.58945 -2.11597 -1.22166 75 3S 0.01648 0.25317 0.14617 76 4PX 0.56844 0.61763 0.36360 77 4PY -0.44133 -0.36360 -0.19778 78 4PZ 0.10733 0.26185 0.15118 79 5PX 0.29148 0.22729 0.12852 80 5PY -0.11664 -0.12852 -0.07888 81 5PZ 0.58021 0.21952 0.12674 82 6 H 1S 0.00000 0.00000 -0.36138 83 2S 0.00000 0.00000 -2.44332 84 3S 0.00000 0.00000 0.29234 85 4PX 0.19597 -0.01214 0.00000 86 4PY 0.00000 0.00000 -0.82755 87 4PZ 0.00000 0.00000 -0.30236 88 5PX -0.08946 0.00468 0.00000 89 5PY 0.00000 0.00000 -0.30149 90 5PZ 0.00000 0.00000 -0.25348 91 7 H 1S -0.23952 0.31296 0.18069 92 2S -2.58945 2.11597 1.22166 93 3S 0.01648 -0.25317 -0.14617 94 4PX -0.56844 0.61763 0.36360 95 4PY 0.44133 -0.36360 -0.19778 96 4PZ -0.10733 0.26185 0.15118 97 5PX -0.29148 0.22729 0.12852 98 5PY 0.11664 -0.12852 -0.07888 99 5PZ -0.58021 0.21952 0.12674 100 8 H 1S 0.23952 -0.31296 0.18069 101 2S 2.58945 -2.11597 1.22166 102 3S -0.01648 0.25317 -0.14617 103 4PX -0.56844 0.61763 -0.36360 104 4PY -0.44133 0.36360 -0.19778 105 4PZ 0.10733 -0.26185 0.15118 106 5PX -0.29148 0.22729 -0.12852 107 5PY -0.11664 0.12852 -0.07888 108 5PZ 0.58021 -0.21952 0.12674 Alpha Density Matrix: 1 2 3 4 5 1 1 Si 1S 1.07480 2 2S -0.28933 1.12135 3 3S 0.01334 -0.05156 0.17189 4 4S 0.02044 -0.08971 0.09016 0.05518 5 5S -0.00733 0.03041 -0.03542 -0.01851 0.00934 6 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 7 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 8 6PZ 0.00021 -0.00148 0.00101 0.02848 0.00418 9 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 10 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 11 7PZ -0.00100 0.00490 -0.00832 -0.02223 0.00360 12 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 13 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 14 8PZ -0.00473 0.02324 0.00264 -0.01331 0.00004 15 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 17 9PZ -0.00082 0.00381 0.00050 0.00029 -0.00009 18 10D 0 0.00047 -0.00239 0.00199 0.00588 -0.00039 19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D 0 0.00100 -0.00488 -0.00152 0.00091 0.00022 24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 Si 1S 0.00042 -0.00165 0.00318 0.00105 -0.00142 29 2S -0.00165 0.00599 -0.01463 -0.00239 0.00813 30 3S 0.00318 -0.01463 0.01561 0.02935 0.01074 31 4S 0.00105 -0.00239 0.02935 0.02642 0.00000 32 5S -0.00142 0.00813 0.01074 0.00000 -0.00456 33 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 34 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 6PZ -0.00343 0.01413 -0.02610 -0.02211 0.01573 36 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 37 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 38 7PZ 0.00742 -0.03060 0.05509 0.04174 -0.01730 39 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 40 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 41 8PZ 0.00122 -0.00127 0.04480 0.02942 -0.01383 42 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 44 9PZ -0.00061 0.00281 -0.00074 -0.00082 0.00023 45 10D 0 0.00241 -0.00979 0.01803 0.01238 -0.00515 46 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 11D 0 -0.00071 0.00391 0.00432 0.00247 -0.00143 51 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 H 1S 0.00949 -0.03827 0.06991 0.03082 -0.01377 56 2S 0.00406 -0.01613 0.02377 0.00885 -0.00454 57 3S 0.00220 -0.00946 0.00720 0.00398 -0.00184 58 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 59 4PY -0.00093 0.00394 -0.00669 -0.00323 0.00134 60 4PZ -0.00041 0.00174 -0.00292 -0.00175 0.00061 61 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 5PY -0.00055 0.00219 -0.00065 -0.00029 0.00018 63 5PZ 0.00000 -0.00022 -0.00080 -0.00002 0.00032 64 4 H 1S 0.00949 -0.03827 0.06991 0.03082 -0.01377 65 2S 0.00406 -0.01613 0.02377 0.00885 -0.00454 66 3S 0.00220 -0.00946 0.00720 0.00398 -0.00184 67 4PX 0.00080 -0.00341 0.00579 0.00279 -0.00116 68 4PY 0.00046 -0.00197 0.00334 0.00161 -0.00067 69 4PZ -0.00041 0.00174 -0.00292 -0.00175 0.00061 70 5PX 0.00048 -0.00190 0.00057 0.00025 -0.00015 71 5PY 0.00028 -0.00110 0.00033 0.00015 -0.00009 72 5PZ 0.00000 -0.00022 -0.00080 -0.00002 0.00032 73 5 H 1S 0.00949 -0.03827 0.06991 0.03082 -0.01377 74 2S 0.00406 -0.01613 0.02377 0.00885 -0.00454 75 3S 0.00220 -0.00946 0.00720 0.00398 -0.00184 76 4PX -0.00080 0.00341 -0.00579 -0.00279 0.00116 77 4PY 0.00046 -0.00197 0.00334 0.00161 -0.00067 78 4PZ -0.00041 0.00174 -0.00292 -0.00175 0.00061 79 5PX -0.00048 0.00190 -0.00057 -0.00025 0.00015 80 5PY 0.00028 -0.00110 0.00033 0.00015 -0.00009 81 5PZ 0.00000 -0.00022 -0.00080 -0.00002 0.00032 82 6 H 1S -0.00134 0.00508 -0.01211 -0.00269 0.01069 83 2S -0.00181 0.00781 -0.00908 -0.00495 0.00537 84 3S -0.00010 0.00026 -0.00146 0.00014 0.00082 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY -0.00002 0.00004 -0.00033 0.00034 0.00075 87 4PZ 0.00015 -0.00064 0.00093 0.00093 -0.00002 88 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 5PY -0.00026 0.00123 -0.00042 -0.00031 0.00020 90 5PZ -0.00022 0.00076 -0.00228 -0.00116 0.00060 91 7 H 1S -0.00134 0.00508 -0.01211 -0.00269 0.01069 92 2S -0.00181 0.00781 -0.00908 -0.00495 0.00537 93 3S -0.00010 0.00026 -0.00146 0.00014 0.00082 94 4PX -0.00002 0.00003 -0.00028 0.00029 0.00065 95 4PY 0.00001 -0.00002 0.00016 -0.00017 -0.00038 96 4PZ 0.00015 -0.00064 0.00093 0.00093 -0.00002 97 5PX -0.00023 0.00106 -0.00036 -0.00026 0.00017 98 5PY 0.00013 -0.00061 0.00021 0.00015 -0.00010 99 5PZ -0.00022 0.00076 -0.00228 -0.00116 0.00060 100 8 H 1S -0.00134 0.00508 -0.01211 -0.00269 0.01069 101 2S -0.00181 0.00781 -0.00908 -0.00495 0.00537 102 3S -0.00010 0.00026 -0.00146 0.00014 0.00082 103 4PX 0.00002 -0.00003 0.00028 -0.00029 -0.00065 104 4PY 0.00001 -0.00002 0.00016 -0.00017 -0.00038 105 4PZ 0.00015 -0.00064 0.00093 0.00093 -0.00002 106 5PX 0.00023 -0.00106 0.00036 0.00026 -0.00017 107 5PY 0.00013 -0.00061 0.00021 0.00015 -0.00010 108 5PZ -0.00022 0.00076 -0.00228 -0.00116 0.00060 6 7 8 9 10 6 6PX 1.01377 7 6PY 0.00000 1.01377 8 6PZ 0.00000 0.00000 1.01434 9 7PX -0.03226 0.00000 0.00000 0.11139 10 7PY 0.00000 -0.03226 0.00000 0.00000 0.11139 11 7PZ 0.00000 0.00000 -0.03525 0.00000 0.00000 12 8PX -0.04571 0.00000 0.00000 0.09930 0.00000 13 8PY 0.00000 -0.04571 0.00000 0.00000 0.09930 14 8PZ 0.00000 0.00000 -0.04270 0.00000 0.00000 15 9PX -0.00007 0.00000 0.00000 0.00268 0.00000 16 9PY 0.00000 -0.00007 0.00000 0.00000 0.00268 17 9PZ 0.00000 0.00000 0.00110 0.00000 0.00000 18 10D 0 0.00000 0.00000 0.01245 0.00000 0.00000 19 10D+1 -0.00790 0.00000 0.00000 0.01725 0.00000 20 10D-1 0.00000 -0.00790 0.00000 0.00000 0.01725 21 10D+2 0.00000 0.01198 0.00000 0.00000 -0.02618 22 10D-2 0.01198 0.00000 0.00000 -0.02618 0.00000 23 11D 0 0.00000 0.00000 0.00472 0.00000 0.00000 24 11D+1 0.00460 0.00000 0.00000 -0.00449 0.00000 25 11D-1 0.00000 0.00460 0.00000 0.00000 -0.00449 26 11D+2 0.00000 0.00857 0.00000 0.00000 -0.01788 27 11D-2 0.00857 0.00000 0.00000 -0.01788 0.00000 28 2 Si 1S 0.00000 0.00000 0.00343 0.00000 0.00000 29 2S 0.00000 0.00000 -0.01413 0.00000 0.00000 30 3S 0.00000 0.00000 0.02610 0.00000 0.00000 31 4S 0.00000 0.00000 0.02211 0.00000 0.00000 32 5S 0.00000 0.00000 -0.01573 0.00000 0.00000 33 6PX 0.00111 0.00000 0.00000 -0.00223 0.00000 34 6PY 0.00000 0.00111 0.00000 0.00000 -0.00223 35 6PZ 0.00000 0.00000 -0.02155 0.00000 0.00000 36 7PX -0.00223 0.00000 0.00000 0.00417 0.00000 37 7PY 0.00000 -0.00223 0.00000 0.00000 0.00417 38 7PZ 0.00000 0.00000 0.04850 0.00000 0.00000 39 8PX 0.01106 0.00000 0.00000 -0.01940 0.00000 40 8PY 0.00000 0.01106 0.00000 0.00000 -0.01940 41 8PZ 0.00000 0.00000 0.02649 0.00000 0.00000 42 9PX 0.00030 0.00000 0.00000 0.00006 0.00000 43 9PY 0.00000 0.00030 0.00000 0.00000 0.00006 44 9PZ 0.00000 0.00000 -0.00101 0.00000 0.00000 45 10D 0 0.00000 0.00000 0.01108 0.00000 0.00000 46 10D+1 -0.00274 0.00000 0.00000 0.00527 0.00000 47 10D-1 0.00000 -0.00274 0.00000 0.00000 0.00527 48 10D+2 0.00000 0.00058 0.00000 0.00000 -0.00115 49 10D-2 0.00058 0.00000 0.00000 -0.00115 0.00000 50 11D 0 0.00000 0.00000 0.00176 0.00000 0.00000 51 11D+1 0.00524 0.00000 0.00000 -0.00860 0.00000 52 11D-1 0.00000 0.00524 0.00000 0.00000 -0.00860 53 11D+2 0.00000 -0.00164 0.00000 0.00000 0.00229 54 11D-2 -0.00164 0.00000 0.00000 0.00229 0.00000 55 3 H 1S 0.00000 -0.05617 -0.02049 0.00000 0.12092 56 2S 0.00000 -0.02419 -0.01831 0.00000 0.03437 57 3S 0.00000 -0.00073 -0.00093 0.00000 -0.00371 58 4PX -0.00067 0.00000 0.00000 0.00153 0.00000 59 4PY 0.00000 0.00176 0.00095 0.00000 -0.00548 60 4PZ 0.00000 0.00110 -0.00058 0.00000 -0.00288 61 5PX -0.00131 0.00000 0.00000 0.00094 0.00000 62 5PY 0.00000 0.00253 0.00277 0.00000 0.00314 63 5PZ 0.00000 -0.00218 0.00169 0.00000 0.00641 64 4 H 1S 0.04864 0.02808 -0.02049 -0.10472 -0.06046 65 2S 0.02095 0.01210 -0.01831 -0.02976 -0.01718 66 3S 0.00064 0.00037 -0.00093 0.00322 0.00186 67 4PX 0.00115 0.00105 -0.00082 -0.00373 -0.00304 68 4PY 0.00105 -0.00006 -0.00048 -0.00304 -0.00022 69 4PZ -0.00095 -0.00055 -0.00058 0.00250 0.00144 70 5PX 0.00157 0.00166 -0.00240 0.00259 0.00095 71 5PY 0.00166 -0.00035 -0.00139 0.00095 0.00149 72 5PZ 0.00188 0.00109 0.00169 -0.00555 -0.00320 73 5 H 1S -0.04864 0.02808 -0.02049 0.10472 -0.06046 74 2S -0.02095 0.01210 -0.01831 0.02976 -0.01718 75 3S -0.00064 0.00037 -0.00093 -0.00322 0.00186 76 4PX 0.00115 -0.00105 0.00082 -0.00373 0.00304 77 4PY -0.00105 -0.00006 -0.00048 0.00304 -0.00022 78 4PZ 0.00095 -0.00055 -0.00058 -0.00250 0.00144 79 5PX 0.00157 -0.00166 0.00240 0.00259 -0.00095 80 5PY -0.00166 -0.00035 -0.00139 -0.00095 0.00149 81 5PZ -0.00188 0.00109 0.00169 0.00555 -0.00320 82 6 H 1S 0.00000 -0.00035 -0.00796 0.00000 0.00126 83 2S 0.00000 0.00183 -0.00974 0.00000 -0.00316 84 3S 0.00000 -0.00080 0.00274 0.00000 0.00258 85 4PX -0.00003 0.00000 0.00000 0.00007 0.00000 86 4PY 0.00000 0.00007 -0.00013 0.00000 -0.00008 87 4PZ 0.00000 -0.00014 0.00083 0.00000 0.00020 88 5PX -0.00133 0.00000 0.00000 0.00208 0.00000 89 5PY 0.00000 0.00118 -0.00092 0.00000 -0.00202 90 5PZ 0.00000 0.00136 -0.00072 0.00000 -0.00225 91 7 H 1S -0.00030 0.00017 -0.00796 0.00109 -0.00063 92 2S 0.00158 -0.00091 -0.00974 -0.00274 0.00158 93 3S -0.00069 0.00040 0.00274 0.00223 -0.00129 94 4PX 0.00004 -0.00004 -0.00012 -0.00004 0.00006 95 4PY -0.00004 -0.00001 0.00007 0.00006 0.00003 96 4PZ -0.00012 0.00007 0.00083 0.00017 -0.00010 97 5PX 0.00055 -0.00109 -0.00079 -0.00099 0.00178 98 5PY -0.00109 -0.00070 0.00046 0.00178 0.00106 99 5PZ 0.00118 -0.00068 -0.00072 -0.00194 0.00112 100 8 H 1S 0.00030 0.00017 -0.00796 -0.00109 -0.00063 101 2S -0.00158 -0.00091 -0.00974 0.00274 0.00158 102 3S 0.00069 0.00040 0.00274 -0.00223 -0.00129 103 4PX 0.00004 0.00004 0.00012 -0.00004 -0.00006 104 4PY 0.00004 -0.00001 0.00007 -0.00006 0.00003 105 4PZ 0.00012 0.00007 0.00083 -0.00017 -0.00010 106 5PX 0.00055 0.00109 0.00079 -0.00099 -0.00178 107 5PY 0.00109 -0.00070 0.00046 -0.00178 0.00106 108 5PZ -0.00118 -0.00068 -0.00072 0.00194 0.00112 11 12 13 14 15 11 7PZ 0.12210 12 8PX 0.00000 0.09365 13 8PY 0.00000 0.00000 0.09365 14 8PZ 0.08224 0.00000 0.00000 0.05744 15 9PX 0.00000 0.00239 0.00000 0.00000 0.00006 16 9PY 0.00000 0.00000 0.00239 0.00000 0.00000 17 9PZ -0.00196 0.00000 0.00000 -0.00118 0.00000 18 10D 0 -0.02927 0.00000 0.00000 -0.02005 0.00000 19 10D+1 0.00000 0.01667 0.00000 0.00000 0.00042 20 10D-1 0.00000 0.00000 0.01667 0.00000 0.00000 21 10D+2 0.00000 0.00000 -0.02386 0.00000 0.00000 22 10D-2 0.00000 -0.02386 0.00000 0.00000 -0.00063 23 11D 0 -0.00835 0.00000 0.00000 -0.00603 0.00000 24 11D+1 0.00000 -0.00590 0.00000 0.00000 -0.00011 25 11D-1 0.00000 0.00000 -0.00590 0.00000 0.00000 26 11D+2 0.00000 0.00000 -0.01565 0.00000 0.00000 27 11D-2 0.00000 -0.01565 0.00000 0.00000 -0.00043 28 2 Si 1S -0.00742 0.00000 0.00000 -0.00122 0.00000 29 2S 0.03060 0.00000 0.00000 0.00127 0.00000 30 3S -0.05509 0.00000 0.00000 -0.04480 0.00000 31 4S -0.04174 0.00000 0.00000 -0.02942 0.00000 32 5S 0.01730 0.00000 0.00000 0.01383 0.00000 33 6PX 0.00000 0.01106 0.00000 0.00000 0.00030 34 6PY 0.00000 0.00000 0.01106 0.00000 0.00000 35 6PZ 0.04850 0.00000 0.00000 0.02649 0.00000 36 7PX 0.00000 -0.01940 0.00000 0.00000 0.00006 37 7PY 0.00000 0.00000 -0.01940 0.00000 0.00000 38 7PZ -0.10747 0.00000 0.00000 -0.06867 0.00000 39 8PX 0.00000 -0.03830 0.00000 0.00000 -0.00051 40 8PY 0.00000 0.00000 -0.03830 0.00000 0.00000 41 8PZ -0.06867 0.00000 0.00000 -0.04197 0.00000 42 9PX 0.00000 -0.00051 0.00000 0.00000 0.00000 43 9PY 0.00000 0.00000 -0.00051 0.00000 0.00000 44 9PZ 0.00180 0.00000 0.00000 0.00130 0.00000 45 10D 0 -0.02439 0.00000 0.00000 -0.01530 0.00000 46 10D+1 0.00000 0.00836 0.00000 0.00000 0.00013 47 10D-1 0.00000 0.00000 0.00836 0.00000 0.00000 48 10D+2 0.00000 0.00000 -0.00651 0.00000 0.00000 49 10D-2 0.00000 -0.00651 0.00000 0.00000 -0.00004 50 11D 0 -0.00678 0.00000 0.00000 -0.00393 0.00000 51 11D+1 0.00000 -0.00874 0.00000 0.00000 -0.00021 52 11D-1 0.00000 0.00000 -0.00874 0.00000 0.00000 53 11D+2 0.00000 0.00000 -0.00166 0.00000 0.00000 54 11D-2 0.00000 -0.00166 0.00000 0.00000 0.00005 55 3 H 1S 0.04387 0.00000 0.10936 0.03269 0.00000 56 2S 0.02643 0.00000 0.03049 0.01890 0.00000 57 3S -0.00027 0.00000 -0.00277 0.00015 0.00000 58 4PX 0.00000 0.00136 0.00000 0.00000 0.00004 59 4PY -0.00253 0.00000 -0.00492 -0.00198 0.00000 60 4PZ 0.00115 0.00000 -0.00264 0.00067 0.00000 61 5PX 0.00000 0.00043 0.00000 0.00000 0.00002 62 5PY -0.00065 0.00000 0.00319 -0.00047 0.00000 63 5PZ -0.00127 0.00000 0.00624 -0.00102 0.00000 64 4 H 1S 0.04387 -0.09471 -0.05468 0.03269 -0.00251 65 2S 0.02643 -0.02640 -0.01524 0.01890 -0.00071 66 3S -0.00027 0.00240 0.00139 0.00015 0.00008 67 4PX 0.00219 -0.00335 -0.00272 0.00172 -0.00009 68 4PY 0.00127 -0.00272 -0.00021 0.00099 -0.00007 69 4PZ 0.00115 0.00228 0.00132 0.00067 0.00006 70 5PX 0.00056 0.00250 0.00120 0.00040 0.00006 71 5PY 0.00033 0.00120 0.00112 0.00023 0.00003 72 5PZ -0.00127 -0.00540 -0.00312 -0.00102 -0.00013 73 5 H 1S 0.04387 0.09471 -0.05468 0.03269 0.00251 74 2S 0.02643 0.02640 -0.01524 0.01890 0.00071 75 3S -0.00027 -0.00240 0.00139 0.00015 -0.00008 76 4PX -0.00219 -0.00335 0.00272 -0.00172 -0.00009 77 4PY 0.00127 0.00272 -0.00021 0.00099 0.00007 78 4PZ 0.00115 -0.00228 0.00132 0.00067 -0.00006 79 5PX -0.00056 0.00250 -0.00120 -0.00040 0.00006 80 5PY 0.00033 -0.00120 0.00112 0.00023 -0.00003 81 5PZ -0.00127 0.00540 -0.00312 -0.00102 0.00013 82 6 H 1S 0.01899 0.00000 0.02642 0.00851 0.00000 83 2S 0.01645 0.00000 0.00438 0.00939 0.00000 84 3S -0.00291 0.00000 0.00156 -0.00227 0.00000 85 4PX 0.00000 -0.00026 0.00000 0.00000 0.00000 86 4PY 0.00039 0.00000 0.00107 -0.00008 0.00000 87 4PZ -0.00175 0.00000 0.00078 -0.00125 0.00000 88 5PX 0.00000 0.00168 0.00000 0.00000 0.00005 89 5PY 0.00032 0.00000 -0.00246 0.00022 0.00000 90 5PZ 0.00036 0.00000 -0.00337 0.00008 0.00000 91 7 H 1S 0.01899 0.02288 -0.01321 0.00851 0.00007 92 2S 0.01645 0.00379 -0.00219 0.00939 -0.00005 93 3S -0.00291 0.00135 -0.00078 -0.00227 0.00005 94 4PX 0.00034 0.00074 -0.00058 -0.00007 0.00000 95 4PY -0.00020 -0.00058 0.00007 0.00004 0.00000 96 4PZ -0.00175 0.00067 -0.00039 -0.00125 0.00001 97 5PX 0.00028 -0.00142 0.00179 0.00019 -0.00002 98 5PY -0.00016 0.00179 0.00065 -0.00011 0.00004 99 5PZ 0.00036 -0.00292 0.00168 0.00008 -0.00005 100 8 H 1S 0.01899 -0.02288 -0.01321 0.00851 -0.00007 101 2S 0.01645 -0.00379 -0.00219 0.00939 0.00005 102 3S -0.00291 -0.00135 -0.00078 -0.00227 -0.00005 103 4PX -0.00034 0.00074 0.00058 0.00007 0.00000 104 4PY -0.00020 0.00058 0.00007 0.00004 0.00000 105 4PZ -0.00175 -0.00067 -0.00039 -0.00125 -0.00001 106 5PX -0.00028 -0.00142 -0.00179 -0.00019 -0.00002 107 5PY -0.00016 -0.00179 0.00065 -0.00011 -0.00004 108 5PZ 0.00036 0.00292 0.00168 0.00008 0.00005 16 17 18 19 20 16 9PY 0.00006 17 9PZ 0.00000 0.00005 18 10D 0 0.00000 0.00047 0.00719 19 10D+1 0.00000 0.00000 0.00000 0.00300 20 10D-1 0.00042 0.00000 0.00000 0.00000 0.00300 21 10D+2 -0.00063 0.00000 0.00000 0.00000 -0.00418 22 10D-2 0.00000 0.00000 0.00000 -0.00418 0.00000 23 11D 0 0.00000 0.00010 0.00203 0.00000 0.00000 24 11D+1 0.00000 0.00000 0.00000 -0.00118 0.00000 25 11D-1 -0.00011 0.00000 0.00000 0.00000 -0.00118 26 11D+2 -0.00043 0.00000 0.00000 0.00000 -0.00269 27 11D-2 0.00000 0.00000 0.00000 -0.00269 0.00000 28 2 Si 1S 0.00000 0.00061 0.00241 0.00000 0.00000 29 2S 0.00000 -0.00281 -0.00979 0.00000 0.00000 30 3S 0.00000 0.00074 0.01803 0.00000 0.00000 31 4S 0.00000 0.00082 0.01238 0.00000 0.00000 32 5S 0.00000 -0.00023 -0.00515 0.00000 0.00000 33 6PX 0.00000 0.00000 0.00000 0.00274 0.00000 34 6PY 0.00030 0.00000 0.00000 0.00000 0.00274 35 6PZ 0.00000 -0.00101 -0.01108 0.00000 0.00000 36 7PX 0.00000 0.00000 0.00000 -0.00527 0.00000 37 7PY 0.00006 0.00000 0.00000 0.00000 -0.00527 38 7PZ 0.00000 0.00180 0.02439 0.00000 0.00000 39 8PX 0.00000 0.00000 0.00000 -0.00836 0.00000 40 8PY -0.00051 0.00000 0.00000 0.00000 -0.00836 41 8PZ 0.00000 0.00130 0.01530 0.00000 0.00000 42 9PX 0.00000 0.00000 0.00000 -0.00013 0.00000 43 9PY 0.00000 0.00000 0.00000 0.00000 -0.00013 44 9PZ 0.00000 -0.00001 -0.00042 0.00000 0.00000 45 10D 0 0.00000 0.00042 0.00553 0.00000 0.00000 46 10D+1 0.00000 0.00000 0.00000 0.00175 0.00000 47 10D-1 0.00013 0.00000 0.00000 0.00000 0.00175 48 10D+2 -0.00004 0.00000 0.00000 0.00000 -0.00158 49 10D-2 0.00000 0.00000 0.00000 -0.00158 0.00000 50 11D 0 0.00000 0.00015 0.00147 0.00000 0.00000 51 11D+1 0.00000 0.00000 0.00000 -0.00160 0.00000 52 11D-1 -0.00021 0.00000 0.00000 0.00000 -0.00160 53 11D+2 0.00005 0.00000 0.00000 0.00000 -0.00059 54 11D-2 0.00000 0.00000 0.00000 -0.00059 0.00000 55 3 H 1S 0.00289 -0.00062 -0.01044 0.00000 0.01910 56 2S 0.00081 -0.00042 -0.00633 0.00000 0.00526 57 3S -0.00009 -0.00001 0.00000 0.00000 -0.00044 58 4PX 0.00000 0.00000 0.00000 0.00024 0.00000 59 4PY -0.00013 0.00003 0.00059 0.00000 -0.00086 60 4PZ -0.00007 -0.00002 -0.00028 0.00000 -0.00046 61 5PX 0.00000 0.00000 0.00000 0.00004 0.00000 62 5PY 0.00008 0.00002 0.00017 0.00000 0.00059 63 5PZ 0.00015 0.00002 0.00037 0.00000 0.00113 64 4 H 1S -0.00145 -0.00062 -0.01044 -0.01654 -0.00955 65 2S -0.00041 -0.00042 -0.00633 -0.00456 -0.00263 66 3S 0.00004 -0.00001 0.00000 0.00038 0.00022 67 4PX -0.00007 -0.00003 -0.00052 -0.00058 -0.00047 68 4PY -0.00001 -0.00002 -0.00030 -0.00047 -0.00004 69 4PZ 0.00003 -0.00002 -0.00028 0.00040 0.00023 70 5PX 0.00003 -0.00002 -0.00015 0.00045 0.00024 71 5PY 0.00004 -0.00001 -0.00009 0.00024 0.00018 72 5PZ -0.00008 0.00002 0.00037 -0.00098 -0.00056 73 5 H 1S -0.00145 -0.00062 -0.01044 0.01654 -0.00955 74 2S -0.00041 -0.00042 -0.00633 0.00456 -0.00263 75 3S 0.00004 -0.00001 0.00000 -0.00038 0.00022 76 4PX 0.00007 0.00003 0.00052 -0.00058 0.00047 77 4PY -0.00001 -0.00002 -0.00030 0.00047 -0.00004 78 4PZ 0.00003 -0.00002 -0.00028 -0.00040 0.00023 79 5PX -0.00003 0.00002 0.00015 0.00045 -0.00024 80 5PY 0.00004 -0.00001 -0.00009 -0.00024 0.00018 81 5PZ -0.00008 0.00002 0.00037 0.00098 -0.00056 82 6 H 1S 0.00009 -0.00035 -0.00194 0.00000 0.00666 83 2S -0.00006 -0.00027 -0.00291 0.00000 0.00135 84 3S 0.00006 0.00005 0.00091 0.00000 0.00021 85 4PX 0.00000 0.00000 0.00000 -0.00007 0.00000 86 4PY 0.00000 -0.00001 0.00013 0.00000 0.00028 87 4PZ 0.00001 0.00003 0.00049 0.00000 0.00018 88 5PX 0.00000 0.00000 0.00000 0.00028 0.00000 89 5PY -0.00005 0.00000 -0.00005 0.00000 -0.00048 90 5PZ -0.00006 -0.00001 -0.00005 0.00000 -0.00070 91 7 H 1S -0.00004 -0.00035 -0.00194 0.00576 -0.00333 92 2S 0.00003 -0.00027 -0.00291 0.00117 -0.00067 93 3S -0.00003 0.00005 0.00091 0.00018 -0.00010 94 4PX 0.00000 -0.00001 0.00012 0.00019 -0.00015 95 4PY 0.00000 0.00000 -0.00007 -0.00015 0.00002 96 4PZ 0.00000 0.00003 0.00049 0.00016 -0.00009 97 5PX 0.00004 0.00000 -0.00005 -0.00029 0.00033 98 5PY 0.00002 0.00000 0.00003 0.00033 0.00009 99 5PZ 0.00003 -0.00001 -0.00005 -0.00060 0.00035 100 8 H 1S -0.00004 -0.00035 -0.00194 -0.00576 -0.00333 101 2S 0.00003 -0.00027 -0.00291 -0.00117 -0.00067 102 3S -0.00003 0.00005 0.00091 -0.00018 -0.00010 103 4PX 0.00000 0.00001 -0.00012 0.00019 0.00015 104 4PY 0.00000 0.00000 -0.00007 0.00015 0.00002 105 4PZ 0.00000 0.00003 0.00049 -0.00016 -0.00009 106 5PX -0.00004 0.00000 0.00005 -0.00029 -0.00033 107 5PY 0.00002 0.00000 0.00003 -0.00033 0.00009 108 5PZ 0.00003 -0.00001 -0.00005 0.00060 0.00035 21 22 23 24 25 21 10D+2 0.00621 22 10D-2 0.00000 0.00621 23 11D 0 0.00000 0.00000 0.00066 24 11D+1 0.00000 0.00124 0.00000 0.00089 25 11D-1 0.00124 0.00000 0.00000 0.00000 0.00089 26 11D+2 0.00418 0.00000 0.00000 0.00000 0.00060 27 11D-2 0.00000 0.00418 0.00000 0.00060 0.00000 28 2 Si 1S 0.00000 0.00000 -0.00071 0.00000 0.00000 29 2S 0.00000 0.00000 0.00391 0.00000 0.00000 30 3S 0.00000 0.00000 0.00432 0.00000 0.00000 31 4S 0.00000 0.00000 0.00247 0.00000 0.00000 32 5S 0.00000 0.00000 -0.00143 0.00000 0.00000 33 6PX 0.00000 -0.00058 0.00000 -0.00524 0.00000 34 6PY -0.00058 0.00000 0.00000 0.00000 -0.00524 35 6PZ 0.00000 0.00000 -0.00176 0.00000 0.00000 36 7PX 0.00000 0.00115 0.00000 0.00860 0.00000 37 7PY 0.00115 0.00000 0.00000 0.00000 0.00860 38 7PZ 0.00000 0.00000 0.00678 0.00000 0.00000 39 8PX 0.00000 0.00651 0.00000 0.00874 0.00000 40 8PY 0.00651 0.00000 0.00000 0.00000 0.00874 41 8PZ 0.00000 0.00000 0.00393 0.00000 0.00000 42 9PX 0.00000 0.00004 0.00000 0.00021 0.00000 43 9PY 0.00004 0.00000 0.00000 0.00000 0.00021 44 9PZ 0.00000 0.00000 -0.00015 0.00000 0.00000 45 10D 0 0.00000 0.00000 0.00147 0.00000 0.00000 46 10D+1 0.00000 -0.00158 0.00000 -0.00160 0.00000 47 10D-1 -0.00158 0.00000 0.00000 0.00000 -0.00160 48 10D+2 0.00078 0.00000 0.00000 0.00000 0.00213 49 10D-2 0.00000 0.00078 0.00000 0.00213 0.00000 50 11D 0 0.00000 0.00000 0.00035 0.00000 0.00000 51 11D+1 0.00000 0.00213 0.00000 0.00074 0.00000 52 11D-1 0.00213 0.00000 0.00000 0.00000 0.00074 53 11D+2 -0.00020 0.00000 0.00000 0.00000 0.00132 54 11D-2 0.00000 -0.00020 0.00000 0.00132 0.00000 55 3 H 1S -0.02862 0.00000 -0.00381 0.00000 -0.00541 56 2S -0.00810 0.00000 -0.00207 0.00000 -0.00128 57 3S 0.00082 0.00000 -0.00005 0.00000 -0.00005 58 4PX 0.00000 -0.00036 0.00000 -0.00006 0.00000 59 4PY 0.00129 0.00000 0.00025 0.00000 0.00023 60 4PZ 0.00068 0.00000 -0.00005 0.00000 0.00014 61 5PX 0.00000 -0.00019 0.00000 0.00012 0.00000 62 5PY -0.00076 0.00000 0.00004 0.00000 -0.00029 63 5PZ -0.00156 0.00000 0.00011 0.00000 -0.00046 64 4 H 1S 0.01431 0.02478 -0.00381 0.00468 0.00270 65 2S 0.00405 0.00702 -0.00207 0.00111 0.00064 66 3S -0.00041 -0.00071 -0.00005 0.00004 0.00002 67 4PX 0.00072 0.00088 -0.00021 0.00016 0.00013 68 4PY 0.00005 0.00072 -0.00012 0.00013 0.00001 69 4PZ -0.00034 -0.00059 -0.00005 -0.00012 -0.00007 70 5PX -0.00025 -0.00062 -0.00004 -0.00018 -0.00018 71 5PY -0.00033 -0.00025 -0.00002 -0.00018 0.00002 72 5PZ 0.00078 0.00135 0.00011 0.00040 0.00023 73 5 H 1S 0.01431 -0.02478 -0.00381 -0.00468 0.00270 74 2S 0.00405 -0.00702 -0.00207 -0.00111 0.00064 75 3S -0.00041 0.00071 -0.00005 -0.00004 0.00002 76 4PX -0.00072 0.00088 0.00021 0.00016 -0.00013 77 4PY 0.00005 -0.00072 -0.00012 -0.00013 0.00001 78 4PZ -0.00034 0.00059 -0.00005 0.00012 -0.00007 79 5PX 0.00025 -0.00062 0.00004 -0.00018 0.00018 80 5PY -0.00033 0.00025 -0.00002 0.00018 0.00002 81 5PZ 0.00078 -0.00135 0.00011 -0.00040 0.00023 82 6 H 1S -0.00263 0.00000 -0.00096 0.00000 -0.00965 83 2S 0.00008 0.00000 -0.00099 0.00000 -0.00261 84 3S -0.00054 0.00000 0.00021 0.00000 0.00018 85 4PX 0.00000 0.00001 0.00000 0.00012 0.00000 86 4PY -0.00009 0.00000 -0.00001 0.00000 -0.00043 87 4PZ -0.00010 0.00000 0.00012 0.00000 -0.00024 88 5PX 0.00000 -0.00048 0.00000 -0.00002 0.00000 89 5PY 0.00054 0.00000 -0.00003 0.00000 0.00033 90 5PZ 0.00066 0.00000 0.00001 0.00000 0.00061 91 7 H 1S 0.00131 -0.00228 -0.00096 -0.00836 0.00482 92 2S -0.00004 0.00007 -0.00099 -0.00226 0.00130 93 3S 0.00027 -0.00047 0.00021 0.00015 -0.00009 94 4PX 0.00004 -0.00006 -0.00001 -0.00029 0.00024 95 4PY -0.00001 0.00004 0.00000 0.00024 -0.00002 96 4PZ 0.00005 -0.00009 0.00012 -0.00020 0.00012 97 5PX -0.00044 0.00028 -0.00002 0.00024 -0.00015 98 5PY -0.00022 -0.00044 0.00001 -0.00015 0.00007 99 5PZ -0.00033 0.00057 0.00001 0.00052 -0.00030 100 8 H 1S 0.00131 0.00228 -0.00096 0.00836 0.00482 101 2S -0.00004 -0.00007 -0.00099 0.00226 0.00130 102 3S 0.00027 0.00047 0.00021 -0.00015 -0.00009 103 4PX -0.00004 -0.00006 0.00001 -0.00029 -0.00024 104 4PY -0.00001 -0.00004 0.00000 -0.00024 -0.00002 105 4PZ 0.00005 0.00009 0.00012 0.00020 0.00012 106 5PX 0.00044 0.00028 0.00002 0.00024 0.00015 107 5PY -0.00022 0.00044 0.00001 0.00015 0.00007 108 5PZ -0.00033 -0.00057 0.00001 -0.00052 -0.00030 26 27 28 29 30 26 11D+2 0.00291 27 11D-2 0.00000 0.00291 28 2 Si 1S 0.00000 0.00000 1.07480 29 2S 0.00000 0.00000 -0.28933 1.12135 30 3S 0.00000 0.00000 0.01334 -0.05156 0.17189 31 4S 0.00000 0.00000 0.02044 -0.08971 0.09016 32 5S 0.00000 0.00000 -0.00733 0.03041 -0.03542 33 6PX 0.00000 0.00164 0.00000 0.00000 0.00000 34 6PY 0.00164 0.00000 0.00000 0.00000 0.00000 35 6PZ 0.00000 0.00000 -0.00021 0.00148 -0.00101 36 7PX 0.00000 -0.00229 0.00000 0.00000 0.00000 37 7PY -0.00229 0.00000 0.00000 0.00000 0.00000 38 7PZ 0.00000 0.00000 0.00100 -0.00490 0.00832 39 8PX 0.00000 0.00166 0.00000 0.00000 0.00000 40 8PY 0.00166 0.00000 0.00000 0.00000 0.00000 41 8PZ 0.00000 0.00000 0.00473 -0.02324 -0.00264 42 9PX 0.00000 -0.00005 0.00000 0.00000 0.00000 43 9PY -0.00005 0.00000 0.00000 0.00000 0.00000 44 9PZ 0.00000 0.00000 0.00082 -0.00381 -0.00050 45 10D 0 0.00000 0.00000 0.00047 -0.00239 0.00199 46 10D+1 0.00000 -0.00059 0.00000 0.00000 0.00000 47 10D-1 -0.00059 0.00000 0.00000 0.00000 0.00000 48 10D+2 -0.00020 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 -0.00020 0.00000 0.00000 0.00000 50 11D 0 0.00000 0.00000 0.00100 -0.00488 -0.00152 51 11D+1 0.00000 0.00132 0.00000 0.00000 0.00000 52 11D-1 0.00132 0.00000 0.00000 0.00000 0.00000 53 11D+2 -0.00063 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 -0.00063 0.00000 0.00000 0.00000 55 3 H 1S -0.01939 0.00000 -0.00134 0.00508 -0.01211 56 2S -0.00559 0.00000 -0.00181 0.00781 -0.00908 57 3S 0.00063 0.00000 -0.00010 0.00026 -0.00146 58 4PX 0.00000 -0.00025 0.00000 0.00000 0.00000 59 4PY 0.00088 0.00000 0.00002 -0.00004 0.00033 60 4PZ 0.00046 0.00000 -0.00015 0.00064 -0.00093 61 5PX 0.00000 -0.00019 0.00000 0.00000 0.00000 62 5PY -0.00046 0.00000 0.00026 -0.00123 0.00042 63 5PZ -0.00099 0.00000 0.00022 -0.00076 0.00228 64 4 H 1S 0.00970 0.01680 -0.00134 0.00508 -0.01211 65 2S 0.00280 0.00484 -0.00181 0.00781 -0.00908 66 3S -0.00031 -0.00054 -0.00010 0.00026 -0.00146 67 4PX 0.00049 0.00060 -0.00002 0.00003 -0.00028 68 4PY 0.00003 0.00049 -0.00001 0.00002 -0.00016 69 4PZ -0.00023 -0.00040 -0.00015 0.00064 -0.00093 70 5PX -0.00012 -0.00039 -0.00023 0.00106 -0.00036 71 5PY -0.00025 -0.00012 -0.00013 0.00061 -0.00021 72 5PZ 0.00050 0.00086 0.00022 -0.00076 0.00228 73 5 H 1S 0.00970 -0.01680 -0.00134 0.00508 -0.01211 74 2S 0.00280 -0.00484 -0.00181 0.00781 -0.00908 75 3S -0.00031 0.00054 -0.00010 0.00026 -0.00146 76 4PX -0.00049 0.00060 0.00002 -0.00003 0.00028 77 4PY 0.00003 -0.00049 -0.00001 0.00002 -0.00016 78 4PZ -0.00023 0.00040 -0.00015 0.00064 -0.00093 79 5PX 0.00012 -0.00039 0.00023 -0.00106 0.00036 80 5PY -0.00025 0.00012 -0.00013 0.00061 -0.00021 81 5PZ 0.00050 -0.00086 0.00022 -0.00076 0.00228 82 6 H 1S 0.00158 0.00000 0.00949 -0.03827 0.06991 83 2S 0.00102 0.00000 0.00406 -0.01613 0.02377 84 3S -0.00046 0.00000 0.00220 -0.00946 0.00720 85 4PX 0.00000 -0.00003 0.00000 0.00000 0.00000 86 4PY 0.00009 0.00000 0.00093 -0.00394 0.00669 87 4PZ 0.00001 0.00000 0.00041 -0.00174 0.00292 88 5PX 0.00000 -0.00035 0.00000 0.00000 0.00000 89 5PY 0.00028 0.00000 0.00055 -0.00219 0.00065 90 5PZ 0.00027 0.00000 0.00000 0.00022 0.00080 91 7 H 1S -0.00079 0.00137 0.00949 -0.03827 0.06991 92 2S -0.00051 0.00088 0.00406 -0.01613 0.02377 93 3S 0.00023 -0.00040 0.00220 -0.00946 0.00720 94 4PX -0.00005 0.00006 0.00080 -0.00341 0.00579 95 4PY 0.00000 -0.00005 -0.00046 0.00197 -0.00334 96 4PZ -0.00001 0.00001 0.00041 -0.00174 0.00292 97 5PX -0.00027 0.00012 0.00048 -0.00190 0.00057 98 5PY -0.00019 -0.00027 -0.00028 0.00110 -0.00033 99 5PZ -0.00013 0.00023 0.00000 0.00022 0.00080 100 8 H 1S -0.00079 -0.00137 0.00949 -0.03827 0.06991 101 2S -0.00051 -0.00088 0.00406 -0.01613 0.02377 102 3S 0.00023 0.00040 0.00220 -0.00946 0.00720 103 4PX 0.00005 0.00006 -0.00080 0.00341 -0.00579 104 4PY 0.00000 0.00005 -0.00046 0.00197 -0.00334 105 4PZ -0.00001 -0.00001 0.00041 -0.00174 0.00292 106 5PX 0.00027 0.00012 -0.00048 0.00190 -0.00057 107 5PY -0.00019 0.00027 -0.00028 0.00110 -0.00033 108 5PZ -0.00013 -0.00023 0.00000 0.00022 0.00080 31 32 33 34 35 31 4S 0.05518 32 5S -0.01851 0.00934 33 6PX 0.00000 0.00000 1.01377 34 6PY 0.00000 0.00000 0.00000 1.01377 35 6PZ -0.02848 -0.00418 0.00000 0.00000 1.01434 36 7PX 0.00000 0.00000 -0.03226 0.00000 0.00000 37 7PY 0.00000 0.00000 0.00000 -0.03226 0.00000 38 7PZ 0.02223 -0.00360 0.00000 0.00000 -0.03525 39 8PX 0.00000 0.00000 -0.04571 0.00000 0.00000 40 8PY 0.00000 0.00000 0.00000 -0.04571 0.00000 41 8PZ 0.01331 -0.00004 0.00000 0.00000 -0.04270 42 9PX 0.00000 0.00000 -0.00007 0.00000 0.00000 43 9PY 0.00000 0.00000 0.00000 -0.00007 0.00000 44 9PZ -0.00029 0.00009 0.00000 0.00000 0.00110 45 10D 0 0.00588 -0.00039 0.00000 0.00000 -0.01245 46 10D+1 0.00000 0.00000 0.00790 0.00000 0.00000 47 10D-1 0.00000 0.00000 0.00000 0.00790 0.00000 48 10D+2 0.00000 0.00000 0.00000 -0.01198 0.00000 49 10D-2 0.00000 0.00000 -0.01198 0.00000 0.00000 50 11D 0 0.00091 0.00022 0.00000 0.00000 -0.00472 51 11D+1 0.00000 0.00000 -0.00460 0.00000 0.00000 52 11D-1 0.00000 0.00000 0.00000 -0.00460 0.00000 53 11D+2 0.00000 0.00000 0.00000 -0.00857 0.00000 54 11D-2 0.00000 0.00000 -0.00857 0.00000 0.00000 55 3 H 1S -0.00269 0.01069 0.00000 0.00035 0.00796 56 2S -0.00495 0.00537 0.00000 -0.00183 0.00974 57 3S 0.00014 0.00082 0.00000 0.00080 -0.00274 58 4PX 0.00000 0.00000 -0.00003 0.00000 0.00000 59 4PY -0.00034 -0.00075 0.00000 0.00007 -0.00013 60 4PZ -0.00093 0.00002 0.00000 -0.00014 0.00083 61 5PX 0.00000 0.00000 -0.00133 0.00000 0.00000 62 5PY 0.00031 -0.00020 0.00000 0.00118 -0.00092 63 5PZ 0.00116 -0.00060 0.00000 0.00136 -0.00072 64 4 H 1S -0.00269 0.01069 -0.00030 -0.00017 0.00796 65 2S -0.00495 0.00537 0.00158 0.00091 0.00974 66 3S 0.00014 0.00082 -0.00069 -0.00040 -0.00274 67 4PX 0.00029 0.00065 0.00004 0.00004 0.00012 68 4PY 0.00017 0.00038 0.00004 -0.00001 0.00007 69 4PZ -0.00093 0.00002 0.00012 0.00007 0.00083 70 5PX -0.00026 0.00017 0.00055 0.00109 0.00079 71 5PY -0.00015 0.00010 0.00109 -0.00070 0.00046 72 5PZ 0.00116 -0.00060 -0.00118 -0.00068 -0.00072 73 5 H 1S -0.00269 0.01069 0.00030 -0.00017 0.00796 74 2S -0.00495 0.00537 -0.00158 0.00091 0.00974 75 3S 0.00014 0.00082 0.00069 -0.00040 -0.00274 76 4PX -0.00029 -0.00065 0.00004 -0.00004 -0.00012 77 4PY 0.00017 0.00038 -0.00004 -0.00001 0.00007 78 4PZ -0.00093 0.00002 -0.00012 0.00007 0.00083 79 5PX 0.00026 -0.00017 0.00055 -0.00109 -0.00079 80 5PY -0.00015 0.00010 -0.00109 -0.00070 0.00046 81 5PZ 0.00116 -0.00060 0.00118 -0.00068 -0.00072 82 6 H 1S 0.03082 -0.01377 0.00000 0.05617 0.02049 83 2S 0.00885 -0.00454 0.00000 0.02419 0.01831 84 3S 0.00398 -0.00184 0.00000 0.00073 0.00093 85 4PX 0.00000 0.00000 -0.00067 0.00000 0.00000 86 4PY 0.00323 -0.00134 0.00000 0.00176 0.00095 87 4PZ 0.00175 -0.00061 0.00000 0.00110 -0.00058 88 5PX 0.00000 0.00000 -0.00131 0.00000 0.00000 89 5PY 0.00029 -0.00018 0.00000 0.00253 0.00277 90 5PZ 0.00002 -0.00032 0.00000 -0.00218 0.00169 91 7 H 1S 0.03082 -0.01377 0.04864 -0.02808 0.02049 92 2S 0.00885 -0.00454 0.02095 -0.01210 0.01831 93 3S 0.00398 -0.00184 0.00064 -0.00037 0.00093 94 4PX 0.00279 -0.00116 0.00115 -0.00105 0.00082 95 4PY -0.00161 0.00067 -0.00105 -0.00006 -0.00048 96 4PZ 0.00175 -0.00061 0.00095 -0.00055 -0.00058 97 5PX 0.00025 -0.00015 0.00157 -0.00166 0.00240 98 5PY -0.00015 0.00009 -0.00166 -0.00035 -0.00139 99 5PZ 0.00002 -0.00032 -0.00188 0.00109 0.00169 100 8 H 1S 0.03082 -0.01377 -0.04864 -0.02808 0.02049 101 2S 0.00885 -0.00454 -0.02095 -0.01210 0.01831 102 3S 0.00398 -0.00184 -0.00064 -0.00037 0.00093 103 4PX -0.00279 0.00116 0.00115 0.00105 -0.00082 104 4PY -0.00161 0.00067 0.00105 -0.00006 -0.00048 105 4PZ 0.00175 -0.00061 -0.00095 -0.00055 -0.00058 106 5PX -0.00025 0.00015 0.00157 0.00166 -0.00240 107 5PY -0.00015 0.00009 0.00166 -0.00035 -0.00139 108 5PZ 0.00002 -0.00032 0.00188 0.00109 0.00169 36 37 38 39 40 36 7PX 0.11139 37 7PY 0.00000 0.11139 38 7PZ 0.00000 0.00000 0.12210 39 8PX 0.09930 0.00000 0.00000 0.09365 40 8PY 0.00000 0.09930 0.00000 0.00000 0.09365 41 8PZ 0.00000 0.00000 0.08224 0.00000 0.00000 42 9PX 0.00268 0.00000 0.00000 0.00239 0.00000 43 9PY 0.00000 0.00268 0.00000 0.00000 0.00239 44 9PZ 0.00000 0.00000 -0.00196 0.00000 0.00000 45 10D 0 0.00000 0.00000 0.02927 0.00000 0.00000 46 10D+1 -0.01725 0.00000 0.00000 -0.01667 0.00000 47 10D-1 0.00000 -0.01725 0.00000 0.00000 -0.01667 48 10D+2 0.00000 0.02618 0.00000 0.00000 0.02386 49 10D-2 0.02618 0.00000 0.00000 0.02386 0.00000 50 11D 0 0.00000 0.00000 0.00835 0.00000 0.00000 51 11D+1 0.00449 0.00000 0.00000 0.00590 0.00000 52 11D-1 0.00000 0.00449 0.00000 0.00000 0.00590 53 11D+2 0.00000 0.01788 0.00000 0.00000 0.01565 54 11D-2 0.01788 0.00000 0.00000 0.01565 0.00000 55 3 H 1S 0.00000 -0.00126 -0.01899 0.00000 -0.02642 56 2S 0.00000 0.00316 -0.01645 0.00000 -0.00438 57 3S 0.00000 -0.00258 0.00291 0.00000 -0.00156 58 4PX 0.00007 0.00000 0.00000 -0.00026 0.00000 59 4PY 0.00000 -0.00008 0.00039 0.00000 0.00107 60 4PZ 0.00000 0.00020 -0.00175 0.00000 0.00078 61 5PX 0.00208 0.00000 0.00000 0.00168 0.00000 62 5PY 0.00000 -0.00202 0.00032 0.00000 -0.00246 63 5PZ 0.00000 -0.00225 0.00036 0.00000 -0.00337 64 4 H 1S 0.00109 0.00063 -0.01899 0.02288 0.01321 65 2S -0.00274 -0.00158 -0.01645 0.00379 0.00219 66 3S 0.00223 0.00129 0.00291 0.00135 0.00078 67 4PX -0.00004 -0.00006 -0.00034 0.00074 0.00058 68 4PY -0.00006 0.00003 -0.00020 0.00058 0.00007 69 4PZ -0.00017 -0.00010 -0.00175 -0.00067 -0.00039 70 5PX -0.00099 -0.00178 -0.00028 -0.00142 -0.00179 71 5PY -0.00178 0.00106 -0.00016 -0.00179 0.00065 72 5PZ 0.00194 0.00112 0.00036 0.00292 0.00168 73 5 H 1S -0.00109 0.00063 -0.01899 -0.02288 0.01321 74 2S 0.00274 -0.00158 -0.01645 -0.00379 0.00219 75 3S -0.00223 0.00129 0.00291 -0.00135 0.00078 76 4PX -0.00004 0.00006 0.00034 0.00074 -0.00058 77 4PY 0.00006 0.00003 -0.00020 -0.00058 0.00007 78 4PZ 0.00017 -0.00010 -0.00175 0.00067 -0.00039 79 5PX -0.00099 0.00178 0.00028 -0.00142 0.00179 80 5PY 0.00178 0.00106 -0.00016 0.00179 0.00065 81 5PZ -0.00194 0.00112 0.00036 -0.00292 0.00168 82 6 H 1S 0.00000 -0.12092 -0.04387 0.00000 -0.10936 83 2S 0.00000 -0.03437 -0.02643 0.00000 -0.03049 84 3S 0.00000 0.00371 0.00027 0.00000 0.00277 85 4PX 0.00153 0.00000 0.00000 0.00136 0.00000 86 4PY 0.00000 -0.00548 -0.00253 0.00000 -0.00492 87 4PZ 0.00000 -0.00288 0.00115 0.00000 -0.00264 88 5PX 0.00094 0.00000 0.00000 0.00043 0.00000 89 5PY 0.00000 0.00314 -0.00065 0.00000 0.00319 90 5PZ 0.00000 0.00641 -0.00127 0.00000 0.00624 91 7 H 1S -0.10472 0.06046 -0.04387 -0.09471 0.05468 92 2S -0.02976 0.01718 -0.02643 -0.02640 0.01524 93 3S 0.00322 -0.00186 0.00027 0.00240 -0.00139 94 4PX -0.00373 0.00304 -0.00219 -0.00335 0.00272 95 4PY 0.00304 -0.00022 0.00127 0.00272 -0.00021 96 4PZ -0.00250 0.00144 0.00115 -0.00228 0.00132 97 5PX 0.00259 -0.00095 -0.00056 0.00250 -0.00120 98 5PY -0.00095 0.00149 0.00033 -0.00120 0.00112 99 5PZ 0.00555 -0.00320 -0.00127 0.00540 -0.00312 100 8 H 1S 0.10472 0.06046 -0.04387 0.09471 0.05468 101 2S 0.02976 0.01718 -0.02643 0.02640 0.01524 102 3S -0.00322 -0.00186 0.00027 -0.00240 -0.00139 103 4PX -0.00373 -0.00304 0.00219 -0.00335 -0.00272 104 4PY -0.00304 -0.00022 0.00127 -0.00272 -0.00021 105 4PZ 0.00250 0.00144 0.00115 0.00228 0.00132 106 5PX 0.00259 0.00095 0.00056 0.00250 0.00120 107 5PY 0.00095 0.00149 0.00033 0.00120 0.00112 108 5PZ -0.00555 -0.00320 -0.00127 -0.00540 -0.00312 41 42 43 44 45 41 8PZ 0.05744 42 9PX 0.00000 0.00006 43 9PY 0.00000 0.00000 0.00006 44 9PZ -0.00118 0.00000 0.00000 0.00005 45 10D 0 0.02005 0.00000 0.00000 -0.00047 0.00719 46 10D+1 0.00000 -0.00042 0.00000 0.00000 0.00000 47 10D-1 0.00000 0.00000 -0.00042 0.00000 0.00000 48 10D+2 0.00000 0.00000 0.00063 0.00000 0.00000 49 10D-2 0.00000 0.00063 0.00000 0.00000 0.00000 50 11D 0 0.00603 0.00000 0.00000 -0.00010 0.00203 51 11D+1 0.00000 0.00011 0.00000 0.00000 0.00000 52 11D-1 0.00000 0.00000 0.00011 0.00000 0.00000 53 11D+2 0.00000 0.00000 0.00043 0.00000 0.00000 54 11D-2 0.00000 0.00043 0.00000 0.00000 0.00000 55 3 H 1S -0.00851 0.00000 -0.00009 0.00035 -0.00194 56 2S -0.00939 0.00000 0.00006 0.00027 -0.00291 57 3S 0.00227 0.00000 -0.00006 -0.00005 0.00091 58 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 59 4PY -0.00008 0.00000 0.00000 -0.00001 -0.00013 60 4PZ -0.00125 0.00000 0.00001 0.00003 -0.00049 61 5PX 0.00000 0.00005 0.00000 0.00000 0.00000 62 5PY 0.00022 0.00000 -0.00005 0.00000 0.00005 63 5PZ 0.00008 0.00000 -0.00006 -0.00001 0.00005 64 4 H 1S -0.00851 0.00007 0.00004 0.00035 -0.00194 65 2S -0.00939 -0.00005 -0.00003 0.00027 -0.00291 66 3S 0.00227 0.00005 0.00003 -0.00005 0.00091 67 4PX 0.00007 0.00000 0.00000 0.00001 0.00012 68 4PY 0.00004 0.00000 0.00000 0.00000 0.00007 69 4PZ -0.00125 -0.00001 0.00000 0.00003 -0.00049 70 5PX -0.00019 -0.00002 -0.00004 0.00000 -0.00005 71 5PY -0.00011 -0.00004 0.00002 0.00000 -0.00003 72 5PZ 0.00008 0.00005 0.00003 -0.00001 0.00005 73 5 H 1S -0.00851 -0.00007 0.00004 0.00035 -0.00194 74 2S -0.00939 0.00005 -0.00003 0.00027 -0.00291 75 3S 0.00227 -0.00005 0.00003 -0.00005 0.00091 76 4PX -0.00007 0.00000 0.00000 -0.00001 -0.00012 77 4PY 0.00004 0.00000 0.00000 0.00000 0.00007 78 4PZ -0.00125 0.00001 0.00000 0.00003 -0.00049 79 5PX 0.00019 -0.00002 0.00004 0.00000 0.00005 80 5PY -0.00011 0.00004 0.00002 0.00000 -0.00003 81 5PZ 0.00008 -0.00005 0.00003 -0.00001 0.00005 82 6 H 1S -0.03269 0.00000 -0.00289 0.00062 -0.01044 83 2S -0.01890 0.00000 -0.00081 0.00042 -0.00633 84 3S -0.00015 0.00000 0.00009 0.00001 0.00000 85 4PX 0.00000 0.00004 0.00000 0.00000 0.00000 86 4PY -0.00198 0.00000 -0.00013 0.00003 -0.00059 87 4PZ 0.00067 0.00000 -0.00007 -0.00002 0.00028 88 5PX 0.00000 0.00002 0.00000 0.00000 0.00000 89 5PY -0.00047 0.00000 0.00008 0.00002 -0.00017 90 5PZ -0.00102 0.00000 0.00015 0.00002 -0.00037 91 7 H 1S -0.03269 -0.00251 0.00145 0.00062 -0.01044 92 2S -0.01890 -0.00071 0.00041 0.00042 -0.00633 93 3S -0.00015 0.00008 -0.00004 0.00001 0.00000 94 4PX -0.00172 -0.00009 0.00007 0.00003 -0.00052 95 4PY 0.00099 0.00007 -0.00001 -0.00002 0.00030 96 4PZ 0.00067 -0.00006 0.00003 -0.00002 0.00028 97 5PX -0.00040 0.00006 -0.00003 0.00002 -0.00015 98 5PY 0.00023 -0.00003 0.00004 -0.00001 0.00009 99 5PZ -0.00102 0.00013 -0.00008 0.00002 -0.00037 100 8 H 1S -0.03269 0.00251 0.00145 0.00062 -0.01044 101 2S -0.01890 0.00071 0.00041 0.00042 -0.00633 102 3S -0.00015 -0.00008 -0.00004 0.00001 0.00000 103 4PX 0.00172 -0.00009 -0.00007 -0.00003 0.00052 104 4PY 0.00099 -0.00007 -0.00001 -0.00002 0.00030 105 4PZ 0.00067 0.00006 0.00003 -0.00002 0.00028 106 5PX 0.00040 0.00006 0.00003 -0.00002 0.00015 107 5PY 0.00023 0.00003 0.00004 -0.00001 0.00009 108 5PZ -0.00102 -0.00013 -0.00008 0.00002 -0.00037 46 47 48 49 50 46 10D+1 0.00300 47 10D-1 0.00000 0.00300 48 10D+2 0.00000 -0.00418 0.00621 49 10D-2 -0.00418 0.00000 0.00000 0.00621 50 11D 0 0.00000 0.00000 0.00000 0.00000 0.00066 51 11D+1 -0.00118 0.00000 0.00000 0.00124 0.00000 52 11D-1 0.00000 -0.00118 0.00124 0.00000 0.00000 53 11D+2 0.00000 -0.00269 0.00418 0.00000 0.00000 54 11D-2 -0.00269 0.00000 0.00000 0.00418 0.00000 55 3 H 1S 0.00000 0.00666 -0.00263 0.00000 -0.00096 56 2S 0.00000 0.00135 0.00008 0.00000 -0.00099 57 3S 0.00000 0.00021 -0.00054 0.00000 0.00021 58 4PX 0.00007 0.00000 0.00000 -0.00001 0.00000 59 4PY 0.00000 -0.00028 0.00009 0.00000 0.00001 60 4PZ 0.00000 -0.00018 0.00010 0.00000 -0.00012 61 5PX -0.00028 0.00000 0.00000 0.00048 0.00000 62 5PY 0.00000 0.00048 -0.00054 0.00000 0.00003 63 5PZ 0.00000 0.00070 -0.00066 0.00000 -0.00001 64 4 H 1S -0.00576 -0.00333 0.00131 0.00228 -0.00096 65 2S -0.00117 -0.00067 -0.00004 -0.00007 -0.00099 66 3S -0.00018 -0.00010 0.00027 0.00047 0.00021 67 4PX -0.00019 -0.00015 0.00004 0.00006 -0.00001 68 4PY -0.00015 -0.00002 0.00001 0.00004 0.00000 69 4PZ 0.00016 0.00009 -0.00005 -0.00009 -0.00012 70 5PX 0.00029 0.00033 -0.00044 -0.00028 -0.00002 71 5PY 0.00033 -0.00009 0.00022 -0.00044 -0.00001 72 5PZ -0.00060 -0.00035 0.00033 0.00057 -0.00001 73 5 H 1S 0.00576 -0.00333 0.00131 -0.00228 -0.00096 74 2S 0.00117 -0.00067 -0.00004 0.00007 -0.00099 75 3S 0.00018 -0.00010 0.00027 -0.00047 0.00021 76 4PX -0.00019 0.00015 -0.00004 0.00006 0.00001 77 4PY 0.00015 -0.00002 0.00001 -0.00004 0.00000 78 4PZ -0.00016 0.00009 -0.00005 0.00009 -0.00012 79 5PX 0.00029 -0.00033 0.00044 -0.00028 0.00002 80 5PY -0.00033 -0.00009 0.00022 0.00044 -0.00001 81 5PZ 0.00060 -0.00035 0.00033 -0.00057 -0.00001 82 6 H 1S 0.00000 0.01910 -0.02862 0.00000 -0.00381 83 2S 0.00000 0.00526 -0.00810 0.00000 -0.00207 84 3S 0.00000 -0.00044 0.00082 0.00000 -0.00005 85 4PX -0.00024 0.00000 0.00000 0.00036 0.00000 86 4PY 0.00000 0.00086 -0.00129 0.00000 -0.00025 87 4PZ 0.00000 0.00046 -0.00068 0.00000 0.00005 88 5PX -0.00004 0.00000 0.00000 0.00019 0.00000 89 5PY 0.00000 -0.00059 0.00076 0.00000 -0.00004 90 5PZ 0.00000 -0.00113 0.00156 0.00000 -0.00011 91 7 H 1S 0.01654 -0.00955 0.01431 -0.02478 -0.00381 92 2S 0.00456 -0.00263 0.00405 -0.00702 -0.00207 93 3S -0.00038 0.00022 -0.00041 0.00071 -0.00005 94 4PX 0.00058 -0.00047 0.00072 -0.00088 -0.00021 95 4PY -0.00047 0.00004 -0.00005 0.00072 0.00012 96 4PZ 0.00040 -0.00023 0.00034 -0.00059 0.00005 97 5PX -0.00045 0.00024 -0.00025 0.00062 -0.00004 98 5PY 0.00024 -0.00018 0.00033 -0.00025 0.00002 99 5PZ -0.00098 0.00056 -0.00078 0.00135 -0.00011 100 8 H 1S -0.01654 -0.00955 0.01431 0.02478 -0.00381 101 2S -0.00456 -0.00263 0.00405 0.00702 -0.00207 102 3S 0.00038 0.00022 -0.00041 -0.00071 -0.00005 103 4PX 0.00058 0.00047 -0.00072 -0.00088 0.00021 104 4PY 0.00047 0.00004 -0.00005 -0.00072 0.00012 105 4PZ -0.00040 -0.00023 0.00034 0.00059 0.00005 106 5PX -0.00045 -0.00024 0.00025 0.00062 0.00004 107 5PY -0.00024 -0.00018 0.00033 0.00025 0.00002 108 5PZ 0.00098 0.00056 -0.00078 -0.00135 -0.00011 51 52 53 54 55 51 11D+1 0.00089 52 11D-1 0.00000 0.00089 53 11D+2 0.00000 0.00060 0.00291 54 11D-2 0.00060 0.00000 0.00000 0.00291 55 3 H 1S 0.00000 -0.00965 0.00158 0.00000 0.17919 56 2S 0.00000 -0.00261 0.00102 0.00000 0.05814 57 3S 0.00000 0.00018 -0.00046 0.00000 -0.00082 58 4PX -0.00012 0.00000 0.00000 0.00003 0.00000 59 4PY 0.00000 0.00043 -0.00009 0.00000 -0.00983 60 4PZ 0.00000 0.00024 -0.00001 0.00000 -0.00396 61 5PX 0.00002 0.00000 0.00000 0.00035 0.00000 62 5PY 0.00000 -0.00033 -0.00028 0.00000 0.00287 63 5PZ 0.00000 -0.00061 -0.00027 0.00000 0.00629 64 4 H 1S 0.00836 0.00482 -0.00079 -0.00137 -0.01882 65 2S 0.00226 0.00130 -0.00051 -0.00088 0.00188 66 3S -0.00015 -0.00009 0.00023 0.00040 0.00498 67 4PX 0.00029 0.00024 -0.00005 -0.00006 0.00005 68 4PY 0.00024 0.00002 0.00000 -0.00005 0.00169 69 4PZ -0.00020 -0.00012 0.00001 0.00001 0.00076 70 5PX -0.00024 -0.00015 -0.00027 -0.00012 0.00159 71 5PY -0.00015 -0.00007 0.00019 -0.00027 0.00186 72 5PZ 0.00052 0.00030 0.00013 0.00023 -0.00435 73 5 H 1S -0.00836 0.00482 -0.00079 0.00137 -0.01882 74 2S -0.00226 0.00130 -0.00051 0.00088 0.00188 75 3S 0.00015 -0.00009 0.00023 -0.00040 0.00498 76 4PX 0.00029 -0.00024 0.00005 -0.00006 -0.00005 77 4PY -0.00024 0.00002 0.00000 0.00005 0.00169 78 4PZ 0.00020 -0.00012 0.00001 -0.00001 0.00076 79 5PX -0.00024 0.00015 0.00027 -0.00012 -0.00159 80 5PY 0.00015 -0.00007 0.00019 0.00027 0.00186 81 5PZ -0.00052 0.00030 0.00013 -0.00023 -0.00435 82 6 H 1S 0.00000 -0.00541 -0.01939 0.00000 0.01131 83 2S 0.00000 -0.00128 -0.00559 0.00000 0.00139 84 3S 0.00000 -0.00005 0.00063 0.00000 0.00095 85 4PX 0.00006 0.00000 0.00000 0.00025 0.00000 86 4PY 0.00000 -0.00023 -0.00088 0.00000 0.00034 87 4PZ 0.00000 -0.00014 -0.00046 0.00000 0.00012 88 5PX -0.00012 0.00000 0.00000 0.00019 0.00000 89 5PY 0.00000 0.00029 0.00046 0.00000 -0.00242 90 5PZ 0.00000 0.00046 0.00099 0.00000 -0.00360 91 7 H 1S -0.00468 0.00270 0.00970 -0.01680 -0.00024 92 2S -0.00111 0.00064 0.00280 -0.00484 0.00387 93 3S -0.00004 0.00002 -0.00031 0.00054 -0.00296 94 4PX -0.00016 0.00013 0.00049 -0.00060 0.00003 95 4PY 0.00013 -0.00001 -0.00003 0.00049 -0.00002 96 4PZ -0.00012 0.00007 0.00023 -0.00040 -0.00043 97 5PX 0.00018 -0.00018 -0.00012 0.00039 0.00195 98 5PY -0.00018 -0.00002 0.00025 -0.00012 0.00111 99 5PZ 0.00040 -0.00023 -0.00050 0.00086 0.00059 100 8 H 1S 0.00468 0.00270 0.00970 0.01680 -0.00024 101 2S 0.00111 0.00064 0.00280 0.00484 0.00387 102 3S 0.00004 0.00002 -0.00031 -0.00054 -0.00296 103 4PX -0.00016 -0.00013 -0.00049 -0.00060 -0.00003 104 4PY -0.00013 -0.00001 -0.00003 -0.00049 -0.00002 105 4PZ 0.00012 0.00007 0.00023 0.00040 -0.00043 106 5PX 0.00018 0.00018 0.00012 0.00039 -0.00195 107 5PY 0.00018 -0.00002 0.00025 0.00012 0.00111 108 5PZ -0.00040 -0.00023 -0.00050 -0.00086 0.00059 56 57 58 59 60 56 2S 0.02059 57 3S -0.00009 0.00056 58 4PX 0.00000 0.00000 0.00002 59 4PY -0.00328 -0.00011 0.00000 0.00060 60 4PZ -0.00107 -0.00004 0.00000 0.00023 0.00013 61 5PX 0.00000 0.00000 0.00001 0.00000 0.00000 62 5PY 0.00059 -0.00011 0.00000 -0.00011 -0.00008 63 5PZ 0.00153 -0.00022 0.00000 -0.00026 -0.00017 64 4 H 1S 0.00188 0.00498 -0.00144 -0.00089 0.00076 65 2S 0.00433 0.00165 -0.00041 -0.00075 0.00026 66 3S 0.00165 0.00029 0.00004 -0.00038 -0.00017 67 4PX 0.00044 0.00035 -0.00005 -0.00014 0.00000 68 4PY 0.00073 0.00015 -0.00004 -0.00015 -0.00004 69 4PZ 0.00026 -0.00017 0.00003 0.00002 0.00002 70 5PX 0.00049 0.00004 0.00003 -0.00009 -0.00003 71 5PY 0.00062 -0.00005 0.00001 -0.00009 -0.00004 72 5PZ -0.00138 0.00002 -0.00008 0.00022 0.00009 73 5 H 1S 0.00188 0.00498 0.00144 -0.00089 0.00076 74 2S 0.00433 0.00165 0.00041 -0.00075 0.00026 75 3S 0.00165 0.00029 -0.00004 -0.00038 -0.00017 76 4PX -0.00044 -0.00035 -0.00005 0.00014 0.00000 77 4PY 0.00073 0.00015 0.00004 -0.00015 -0.00004 78 4PZ 0.00026 -0.00017 -0.00003 0.00002 0.00002 79 5PX -0.00049 -0.00004 0.00003 0.00009 0.00003 80 5PY 0.00062 -0.00005 -0.00001 -0.00009 -0.00004 81 5PZ -0.00138 0.00002 0.00008 0.00022 0.00009 82 6 H 1S 0.00139 0.00095 0.00000 -0.00034 -0.00012 83 2S 0.00103 -0.00002 0.00000 0.00003 0.00023 84 3S -0.00002 -0.00032 0.00000 -0.00001 -0.00007 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY -0.00003 0.00001 0.00000 -0.00001 -0.00001 87 4PZ -0.00023 0.00007 0.00000 -0.00001 -0.00005 88 5PX 0.00000 0.00000 0.00003 0.00000 0.00000 89 5PY -0.00056 -0.00004 0.00000 0.00011 0.00007 90 5PZ -0.00084 -0.00018 0.00000 0.00020 0.00012 91 7 H 1S 0.00387 -0.00296 0.00001 -0.00004 0.00043 92 2S 0.00339 -0.00130 -0.00004 -0.00014 0.00025 93 3S -0.00130 -0.00007 0.00003 0.00017 0.00002 94 4PX 0.00014 -0.00017 0.00000 -0.00001 0.00001 95 4PY -0.00004 0.00006 0.00000 0.00000 0.00000 96 4PZ -0.00025 -0.00002 0.00000 0.00001 -0.00003 97 5PX 0.00055 -0.00007 -0.00001 -0.00008 -0.00004 98 5PY 0.00035 -0.00005 0.00002 -0.00006 -0.00003 99 5PZ 0.00006 -0.00008 -0.00003 0.00002 0.00000 100 8 H 1S 0.00387 -0.00296 -0.00001 -0.00004 0.00043 101 2S 0.00339 -0.00130 0.00004 -0.00014 0.00025 102 3S -0.00130 -0.00007 -0.00003 0.00017 0.00002 103 4PX -0.00014 0.00017 0.00000 0.00001 -0.00001 104 4PY -0.00004 0.00006 0.00000 0.00000 0.00000 105 4PZ -0.00025 -0.00002 0.00000 0.00001 -0.00003 106 5PX -0.00055 0.00007 -0.00001 0.00008 0.00004 107 5PY 0.00035 -0.00005 -0.00002 -0.00006 -0.00003 108 5PZ 0.00006 -0.00008 0.00003 0.00002 0.00000 61 62 63 64 65 61 5PX 0.00005 62 5PY 0.00000 0.00016 63 5PZ 0.00000 0.00024 0.00047 64 4 H 1S -0.00081 -0.00231 -0.00435 0.17919 65 2S -0.00029 -0.00074 -0.00138 0.05814 0.02059 66 3S 0.00006 -0.00001 0.00002 -0.00082 -0.00009 67 4PX -0.00003 -0.00013 -0.00023 0.00851 0.00284 68 4PY -0.00002 -0.00003 -0.00004 0.00491 0.00164 69 4PZ 0.00002 0.00005 0.00009 -0.00396 -0.00107 70 5PX 0.00000 0.00005 0.00008 -0.00249 -0.00051 71 5PY -0.00003 0.00001 0.00006 -0.00144 -0.00030 72 5PZ -0.00001 -0.00010 -0.00017 0.00629 0.00153 73 5 H 1S 0.00081 -0.00231 -0.00435 -0.01882 0.00188 74 2S 0.00029 -0.00074 -0.00138 0.00188 0.00433 75 3S -0.00006 -0.00001 0.00002 0.00498 0.00165 76 4PX -0.00003 0.00013 0.00023 -0.00149 -0.00085 77 4PY 0.00002 -0.00003 -0.00004 -0.00080 0.00002 78 4PZ -0.00002 0.00005 0.00009 0.00076 0.00026 79 5PX 0.00000 -0.00005 -0.00008 -0.00240 -0.00078 80 5PY 0.00003 0.00001 0.00006 0.00045 0.00011 81 5PZ 0.00001 -0.00010 -0.00017 -0.00435 -0.00138 82 6 H 1S 0.00000 0.00242 0.00360 -0.00024 0.00387 83 2S 0.00000 0.00056 0.00084 0.00387 0.00339 84 3S 0.00000 0.00004 0.00018 -0.00296 -0.00130 85 4PX 0.00003 0.00000 0.00000 0.00001 -0.00004 86 4PY 0.00000 0.00011 0.00020 0.00004 0.00014 87 4PZ 0.00000 0.00007 0.00012 -0.00043 -0.00025 88 5PX 0.00004 0.00000 0.00000 -0.00193 -0.00058 89 5PY 0.00000 -0.00011 -0.00018 0.00113 0.00031 90 5PZ 0.00000 -0.00018 -0.00025 0.00059 0.00006 91 7 H 1S -0.00193 -0.00113 -0.00059 -0.00024 0.00387 92 2S -0.00058 -0.00031 -0.00006 0.00387 0.00339 93 3S 0.00008 0.00004 0.00008 -0.00296 -0.00130 94 4PX -0.00007 -0.00005 0.00001 0.00003 0.00010 95 4PY 0.00006 0.00000 -0.00003 -0.00001 -0.00011 96 4PZ -0.00004 -0.00002 0.00000 -0.00043 -0.00025 97 5PX 0.00004 0.00007 0.00013 0.00001 -0.00002 98 5PY 0.00000 0.00000 0.00003 -0.00224 -0.00065 99 5PZ 0.00009 0.00010 0.00016 0.00059 0.00006 100 8 H 1S 0.00193 -0.00113 -0.00059 0.01131 0.00139 101 2S 0.00058 -0.00031 -0.00006 0.00139 0.00103 102 3S -0.00008 0.00004 0.00008 0.00095 -0.00002 103 4PX -0.00007 0.00005 -0.00001 -0.00029 0.00003 104 4PY -0.00006 0.00000 -0.00003 -0.00017 0.00002 105 4PZ 0.00004 -0.00002 0.00000 0.00012 -0.00023 106 5PX 0.00004 -0.00007 -0.00013 0.00210 0.00049 107 5PY 0.00000 0.00000 0.00003 0.00121 0.00028 108 5PZ -0.00009 0.00010 0.00016 -0.00360 -0.00084 66 67 68 69 70 66 3S 0.00056 67 4PX 0.00010 0.00046 68 4PY 0.00006 0.00025 0.00017 69 4PZ -0.00004 -0.00020 -0.00012 0.00013 70 5PX 0.00009 -0.00008 -0.00005 0.00007 0.00013 71 5PY 0.00005 -0.00005 -0.00002 0.00004 0.00005 72 5PZ -0.00022 0.00023 0.00013 -0.00017 -0.00021 73 5 H 1S 0.00498 0.00149 -0.00080 0.00076 0.00240 74 2S 0.00165 0.00085 0.00002 0.00026 0.00078 75 3S 0.00029 0.00031 0.00023 -0.00017 -0.00002 76 4PX -0.00031 -0.00021 -0.00005 0.00004 -0.00009 77 4PY 0.00023 0.00005 0.00000 0.00002 0.00009 78 4PZ -0.00017 -0.00004 0.00002 0.00002 -0.00005 79 5PX 0.00002 -0.00009 -0.00009 0.00005 0.00002 80 5PY 0.00006 0.00001 0.00004 -0.00001 -0.00004 81 5PZ 0.00002 -0.00015 -0.00017 0.00009 0.00009 82 6 H 1S -0.00296 0.00003 0.00002 0.00043 0.00195 83 2S -0.00130 0.00014 0.00004 0.00025 0.00055 84 3S -0.00007 -0.00017 -0.00006 0.00002 -0.00007 85 4PX 0.00003 0.00000 0.00000 0.00000 -0.00001 86 4PY -0.00017 0.00001 0.00000 0.00001 0.00008 87 4PZ -0.00002 -0.00001 0.00000 -0.00003 0.00004 88 5PX 0.00008 -0.00007 -0.00006 0.00004 0.00004 89 5PY -0.00004 0.00005 0.00000 -0.00002 -0.00007 90 5PZ -0.00008 -0.00001 -0.00003 0.00000 -0.00013 91 7 H 1S -0.00296 0.00003 0.00001 0.00043 0.00001 92 2S -0.00130 0.00010 0.00011 0.00025 -0.00002 93 3S -0.00007 -0.00014 -0.00011 0.00002 0.00000 94 4PX -0.00014 0.00001 0.00001 0.00000 -0.00002 95 4PY 0.00011 -0.00001 0.00000 0.00000 -0.00002 96 4PZ -0.00002 0.00000 0.00000 -0.00003 0.00000 97 5PX 0.00000 -0.00002 0.00002 0.00000 -0.00002 98 5PY 0.00008 -0.00008 -0.00005 0.00005 0.00003 99 5PZ -0.00008 -0.00003 0.00001 0.00000 -0.00004 100 8 H 1S 0.00095 0.00029 0.00017 -0.00012 -0.00210 101 2S -0.00002 -0.00003 -0.00002 0.00023 -0.00049 102 3S -0.00032 0.00001 0.00000 -0.00007 -0.00004 103 4PX -0.00001 -0.00001 -0.00001 0.00001 0.00009 104 4PY 0.00000 -0.00001 0.00000 0.00001 0.00004 105 4PZ 0.00007 0.00001 0.00001 -0.00005 -0.00006 106 5PX 0.00004 0.00009 0.00004 -0.00006 -0.00008 107 5PY 0.00002 0.00004 0.00005 -0.00004 -0.00006 108 5PZ -0.00018 -0.00017 -0.00010 0.00012 0.00016 71 72 73 74 75 71 5PY 0.00008 72 5PZ -0.00012 0.00047 73 5 H 1S 0.00045 -0.00435 0.17919 74 2S 0.00011 -0.00138 0.05814 0.02059 75 3S 0.00006 0.00002 -0.00082 -0.00009 0.00056 76 4PX -0.00001 0.00015 -0.00851 -0.00284 -0.00010 77 4PY 0.00004 -0.00017 0.00491 0.00164 0.00006 78 4PZ -0.00001 0.00009 -0.00396 -0.00107 -0.00004 79 5PX 0.00004 -0.00009 0.00249 0.00051 -0.00009 80 5PY -0.00001 0.00004 -0.00144 -0.00030 0.00005 81 5PZ 0.00004 -0.00017 0.00629 0.00153 -0.00022 82 6 H 1S -0.00111 -0.00059 -0.00024 0.00387 -0.00296 83 2S -0.00035 -0.00006 0.00387 0.00339 -0.00130 84 3S 0.00005 0.00008 -0.00296 -0.00130 -0.00007 85 4PX -0.00002 0.00003 -0.00001 0.00004 -0.00003 86 4PY -0.00006 0.00002 0.00004 0.00014 -0.00017 87 4PZ -0.00003 0.00000 -0.00043 -0.00025 -0.00002 88 5PX 0.00000 -0.00009 0.00193 0.00058 -0.00008 89 5PY 0.00000 0.00010 0.00113 0.00031 -0.00004 90 5PZ 0.00003 0.00016 0.00059 0.00006 -0.00008 91 7 H 1S 0.00224 -0.00059 0.01131 0.00139 0.00095 92 2S 0.00065 -0.00006 0.00139 0.00103 -0.00002 93 3S -0.00008 0.00008 0.00095 -0.00002 -0.00032 94 4PX 0.00008 0.00003 0.00029 -0.00003 0.00001 95 4PY -0.00005 0.00001 -0.00017 0.00002 0.00000 96 4PZ 0.00005 0.00000 0.00012 -0.00023 0.00007 97 5PX -0.00003 0.00004 -0.00210 -0.00049 -0.00004 98 5PY 0.00006 -0.00012 0.00121 0.00028 0.00002 99 5PZ -0.00012 0.00016 -0.00360 -0.00084 -0.00018 100 8 H 1S -0.00121 0.00360 -0.00024 0.00387 -0.00296 101 2S -0.00028 0.00084 0.00387 0.00339 -0.00130 102 3S -0.00002 0.00018 -0.00296 -0.00130 -0.00007 103 4PX 0.00004 -0.00017 -0.00003 -0.00010 0.00014 104 4PY 0.00005 -0.00010 -0.00001 -0.00011 0.00011 105 4PZ -0.00004 0.00012 -0.00043 -0.00025 -0.00002 106 5PX -0.00006 0.00016 -0.00001 0.00002 0.00000 107 5PY 0.00000 0.00009 -0.00224 -0.00065 0.00008 108 5PZ 0.00009 -0.00025 0.00059 0.00006 -0.00008 76 77 78 79 80 76 4PX 0.00046 77 4PY -0.00025 0.00017 78 4PZ 0.00020 -0.00012 0.00013 79 5PX -0.00008 0.00005 -0.00007 0.00013 80 5PY 0.00005 -0.00002 0.00004 -0.00005 0.00008 81 5PZ -0.00023 0.00013 -0.00017 0.00021 -0.00012 82 6 H 1S -0.00003 0.00002 0.00043 -0.00195 -0.00111 83 2S -0.00014 0.00004 0.00025 -0.00055 -0.00035 84 3S 0.00017 -0.00006 0.00002 0.00007 0.00005 85 4PX 0.00000 0.00000 0.00000 -0.00001 0.00002 86 4PY -0.00001 0.00000 0.00001 -0.00008 -0.00006 87 4PZ 0.00001 0.00000 -0.00003 -0.00004 -0.00003 88 5PX -0.00007 0.00006 -0.00004 0.00004 0.00000 89 5PY -0.00005 0.00000 -0.00002 0.00007 0.00000 90 5PZ 0.00001 -0.00003 0.00000 0.00013 0.00003 91 7 H 1S -0.00029 0.00017 -0.00012 0.00210 -0.00121 92 2S 0.00003 -0.00002 0.00023 0.00049 -0.00028 93 3S -0.00001 0.00000 -0.00007 0.00004 -0.00002 94 4PX -0.00001 0.00001 -0.00001 0.00009 -0.00004 95 4PY 0.00001 0.00000 0.00001 -0.00004 0.00005 96 4PZ -0.00001 0.00001 -0.00005 0.00006 -0.00004 97 5PX 0.00009 -0.00004 0.00006 -0.00008 0.00006 98 5PY -0.00004 0.00005 -0.00004 0.00006 0.00000 99 5PZ 0.00017 -0.00010 0.00012 -0.00016 0.00009 100 8 H 1S -0.00003 0.00001 0.00043 -0.00001 0.00224 101 2S -0.00010 0.00011 0.00025 0.00002 0.00065 102 3S 0.00014 -0.00011 0.00002 0.00000 -0.00008 103 4PX 0.00001 -0.00001 0.00000 -0.00002 -0.00008 104 4PY 0.00001 0.00000 0.00000 0.00002 -0.00005 105 4PZ 0.00000 0.00000 -0.00003 0.00000 0.00005 106 5PX -0.00002 -0.00002 0.00000 -0.00002 0.00003 107 5PY 0.00008 -0.00005 0.00005 -0.00003 0.00006 108 5PZ 0.00003 0.00001 0.00000 0.00004 -0.00012 81 82 83 84 85 81 5PZ 0.00047 82 6 H 1S -0.00059 0.17919 83 2S -0.00006 0.05814 0.02059 84 3S 0.00008 -0.00082 -0.00009 0.00056 85 4PX -0.00003 0.00000 0.00000 0.00000 0.00002 86 4PY 0.00002 0.00983 0.00328 0.00011 0.00000 87 4PZ 0.00000 0.00396 0.00107 0.00004 0.00000 88 5PX 0.00009 0.00000 0.00000 0.00000 0.00001 89 5PY 0.00010 -0.00287 -0.00059 0.00011 0.00000 90 5PZ 0.00016 -0.00629 -0.00153 0.00022 0.00000 91 7 H 1S 0.00360 -0.01882 0.00188 0.00498 -0.00144 92 2S 0.00084 0.00188 0.00433 0.00165 -0.00041 93 3S 0.00018 0.00498 0.00165 0.00029 0.00004 94 4PX 0.00017 0.00005 0.00044 0.00035 -0.00005 95 4PY -0.00010 -0.00169 -0.00073 -0.00015 0.00004 96 4PZ 0.00012 -0.00076 -0.00026 0.00017 -0.00003 97 5PX -0.00016 0.00159 0.00049 0.00004 0.00003 98 5PY 0.00009 -0.00186 -0.00062 0.00005 -0.00001 99 5PZ -0.00025 0.00435 0.00138 -0.00002 0.00008 100 8 H 1S -0.00059 -0.01882 0.00188 0.00498 0.00144 101 2S -0.00006 0.00188 0.00433 0.00165 0.00041 102 3S 0.00008 0.00498 0.00165 0.00029 -0.00004 103 4PX -0.00003 -0.00005 -0.00044 -0.00035 -0.00005 104 4PY 0.00001 -0.00169 -0.00073 -0.00015 -0.00004 105 4PZ 0.00000 -0.00076 -0.00026 0.00017 0.00003 106 5PX -0.00004 -0.00159 -0.00049 -0.00004 0.00003 107 5PY -0.00012 -0.00186 -0.00062 0.00005 0.00001 108 5PZ 0.00016 0.00435 0.00138 -0.00002 -0.00008 86 87 88 89 90 86 4PY 0.00060 87 4PZ 0.00023 0.00013 88 5PX 0.00000 0.00000 0.00005 89 5PY -0.00011 -0.00008 0.00000 0.00016 90 5PZ -0.00026 -0.00017 0.00000 0.00024 0.00047 91 7 H 1S 0.00089 -0.00076 -0.00081 0.00231 0.00435 92 2S 0.00075 -0.00026 -0.00029 0.00074 0.00138 93 3S 0.00038 0.00017 0.00006 0.00001 -0.00002 94 4PX 0.00014 0.00000 -0.00003 0.00013 0.00023 95 4PY -0.00015 -0.00004 0.00002 -0.00003 -0.00004 96 4PZ 0.00002 0.00002 -0.00002 0.00005 0.00009 97 5PX 0.00009 0.00003 0.00000 -0.00005 -0.00008 98 5PY -0.00009 -0.00004 0.00003 0.00001 0.00006 99 5PZ 0.00022 0.00009 0.00001 -0.00010 -0.00017 100 8 H 1S 0.00089 -0.00076 0.00081 0.00231 0.00435 101 2S 0.00075 -0.00026 0.00029 0.00074 0.00138 102 3S 0.00038 0.00017 -0.00006 0.00001 -0.00002 103 4PX -0.00014 0.00000 -0.00003 -0.00013 -0.00023 104 4PY -0.00015 -0.00004 -0.00002 -0.00003 -0.00004 105 4PZ 0.00002 0.00002 0.00002 0.00005 0.00009 106 5PX -0.00009 -0.00003 0.00000 0.00005 0.00008 107 5PY -0.00009 -0.00004 -0.00003 0.00001 0.00006 108 5PZ 0.00022 0.00009 -0.00001 -0.00010 -0.00017 91 92 93 94 95 91 7 H 1S 0.17919 92 2S 0.05814 0.02059 93 3S -0.00082 -0.00009 0.00056 94 4PX 0.00851 0.00284 0.00010 0.00046 95 4PY -0.00491 -0.00164 -0.00006 -0.00025 0.00017 96 4PZ 0.00396 0.00107 0.00004 0.00020 -0.00012 97 5PX -0.00249 -0.00051 0.00009 -0.00008 0.00005 98 5PY 0.00144 0.00030 -0.00005 0.00005 -0.00002 99 5PZ -0.00629 -0.00153 0.00022 -0.00023 0.00013 100 8 H 1S -0.01882 0.00188 0.00498 0.00149 0.00080 101 2S 0.00188 0.00433 0.00165 0.00085 -0.00002 102 3S 0.00498 0.00165 0.00029 0.00031 -0.00023 103 4PX -0.00149 -0.00085 -0.00031 -0.00021 0.00005 104 4PY 0.00080 -0.00002 -0.00023 -0.00005 0.00000 105 4PZ -0.00076 -0.00026 0.00017 0.00004 0.00002 106 5PX -0.00240 -0.00078 0.00002 -0.00009 0.00009 107 5PY -0.00045 -0.00011 -0.00006 -0.00001 0.00004 108 5PZ 0.00435 0.00138 -0.00002 0.00015 -0.00017 96 97 98 99 100 96 4PZ 0.00013 97 5PX -0.00007 0.00013 98 5PY 0.00004 -0.00005 0.00008 99 5PZ -0.00017 0.00021 -0.00012 0.00047 100 8 H 1S -0.00076 0.00240 -0.00045 0.00435 0.17919 101 2S -0.00026 0.00078 -0.00011 0.00138 0.05814 102 3S 0.00017 -0.00002 -0.00006 -0.00002 -0.00082 103 4PX -0.00004 -0.00009 0.00001 -0.00015 -0.00851 104 4PY 0.00002 -0.00009 0.00004 -0.00017 -0.00491 105 4PZ 0.00002 0.00005 -0.00001 0.00009 0.00396 106 5PX -0.00005 0.00002 -0.00004 0.00009 0.00249 107 5PY -0.00001 0.00004 -0.00001 0.00004 0.00144 108 5PZ 0.00009 -0.00009 0.00004 -0.00017 -0.00629 101 102 103 104 105 101 2S 0.02059 102 3S -0.00009 0.00056 103 4PX -0.00284 -0.00010 0.00046 104 4PY -0.00164 -0.00006 0.00025 0.00017 105 4PZ 0.00107 0.00004 -0.00020 -0.00012 0.00013 106 5PX 0.00051 -0.00009 -0.00008 -0.00005 0.00007 107 5PY 0.00030 -0.00005 -0.00005 -0.00002 0.00004 108 5PZ -0.00153 0.00022 0.00023 0.00013 -0.00017 106 107 108 106 5PX 0.00013 107 5PY 0.00005 0.00008 108 5PZ -0.00021 -0.00012 0.00047 Beta Density Matrix: 1 2 3 4 5 1 1 Si 1S 1.07480 2 2S -0.28933 1.12135 3 3S 0.01334 -0.05156 0.17189 4 4S 0.02044 -0.08971 0.09016 0.05518 5 5S -0.00733 0.03041 -0.03542 -0.01851 0.00934 6 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 7 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 8 6PZ 0.00021 -0.00148 0.00101 0.02848 0.00418 9 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 10 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 11 7PZ -0.00100 0.00490 -0.00832 -0.02223 0.00360 12 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 13 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 14 8PZ -0.00473 0.02324 0.00264 -0.01331 0.00004 15 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 17 9PZ -0.00082 0.00381 0.00050 0.00029 -0.00009 18 10D 0 0.00047 -0.00239 0.00199 0.00588 -0.00039 19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D 0 0.00100 -0.00488 -0.00152 0.00091 0.00022 24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 Si 1S 0.00042 -0.00165 0.00318 0.00105 -0.00142 29 2S -0.00165 0.00599 -0.01463 -0.00239 0.00813 30 3S 0.00318 -0.01463 0.01561 0.02935 0.01074 31 4S 0.00105 -0.00239 0.02935 0.02642 0.00000 32 5S -0.00142 0.00813 0.01074 0.00000 -0.00456 33 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 34 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 6PZ -0.00343 0.01413 -0.02610 -0.02211 0.01573 36 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 37 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 38 7PZ 0.00742 -0.03060 0.05509 0.04174 -0.01730 39 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 40 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 41 8PZ 0.00122 -0.00127 0.04480 0.02942 -0.01383 42 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 44 9PZ -0.00061 0.00281 -0.00074 -0.00082 0.00023 45 10D 0 0.00241 -0.00979 0.01803 0.01238 -0.00515 46 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 11D 0 -0.00071 0.00391 0.00432 0.00247 -0.00143 51 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 H 1S 0.00949 -0.03827 0.06991 0.03082 -0.01377 56 2S 0.00406 -0.01613 0.02377 0.00885 -0.00454 57 3S 0.00220 -0.00946 0.00720 0.00398 -0.00184 58 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 59 4PY -0.00093 0.00394 -0.00669 -0.00323 0.00134 60 4PZ -0.00041 0.00174 -0.00292 -0.00175 0.00061 61 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 5PY -0.00055 0.00219 -0.00065 -0.00029 0.00018 63 5PZ 0.00000 -0.00022 -0.00080 -0.00002 0.00032 64 4 H 1S 0.00949 -0.03827 0.06991 0.03082 -0.01377 65 2S 0.00406 -0.01613 0.02377 0.00885 -0.00454 66 3S 0.00220 -0.00946 0.00720 0.00398 -0.00184 67 4PX 0.00080 -0.00341 0.00579 0.00279 -0.00116 68 4PY 0.00046 -0.00197 0.00334 0.00161 -0.00067 69 4PZ -0.00041 0.00174 -0.00292 -0.00175 0.00061 70 5PX 0.00048 -0.00190 0.00057 0.00025 -0.00015 71 5PY 0.00028 -0.00110 0.00033 0.00015 -0.00009 72 5PZ 0.00000 -0.00022 -0.00080 -0.00002 0.00032 73 5 H 1S 0.00949 -0.03827 0.06991 0.03082 -0.01377 74 2S 0.00406 -0.01613 0.02377 0.00885 -0.00454 75 3S 0.00220 -0.00946 0.00720 0.00398 -0.00184 76 4PX -0.00080 0.00341 -0.00579 -0.00279 0.00116 77 4PY 0.00046 -0.00197 0.00334 0.00161 -0.00067 78 4PZ -0.00041 0.00174 -0.00292 -0.00175 0.00061 79 5PX -0.00048 0.00190 -0.00057 -0.00025 0.00015 80 5PY 0.00028 -0.00110 0.00033 0.00015 -0.00009 81 5PZ 0.00000 -0.00022 -0.00080 -0.00002 0.00032 82 6 H 1S -0.00134 0.00508 -0.01211 -0.00269 0.01069 83 2S -0.00181 0.00781 -0.00908 -0.00495 0.00537 84 3S -0.00010 0.00026 -0.00146 0.00014 0.00082 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY -0.00002 0.00004 -0.00033 0.00034 0.00075 87 4PZ 0.00015 -0.00064 0.00093 0.00093 -0.00002 88 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 5PY -0.00026 0.00123 -0.00042 -0.00031 0.00020 90 5PZ -0.00022 0.00076 -0.00228 -0.00116 0.00060 91 7 H 1S -0.00134 0.00508 -0.01211 -0.00269 0.01069 92 2S -0.00181 0.00781 -0.00908 -0.00495 0.00537 93 3S -0.00010 0.00026 -0.00146 0.00014 0.00082 94 4PX -0.00002 0.00003 -0.00028 0.00029 0.00065 95 4PY 0.00001 -0.00002 0.00016 -0.00017 -0.00038 96 4PZ 0.00015 -0.00064 0.00093 0.00093 -0.00002 97 5PX -0.00023 0.00106 -0.00036 -0.00026 0.00017 98 5PY 0.00013 -0.00061 0.00021 0.00015 -0.00010 99 5PZ -0.00022 0.00076 -0.00228 -0.00116 0.00060 100 8 H 1S -0.00134 0.00508 -0.01211 -0.00269 0.01069 101 2S -0.00181 0.00781 -0.00908 -0.00495 0.00537 102 3S -0.00010 0.00026 -0.00146 0.00014 0.00082 103 4PX 0.00002 -0.00003 0.00028 -0.00029 -0.00065 104 4PY 0.00001 -0.00002 0.00016 -0.00017 -0.00038 105 4PZ 0.00015 -0.00064 0.00093 0.00093 -0.00002 106 5PX 0.00023 -0.00106 0.00036 0.00026 -0.00017 107 5PY 0.00013 -0.00061 0.00021 0.00015 -0.00010 108 5PZ -0.00022 0.00076 -0.00228 -0.00116 0.00060 6 7 8 9 10 6 6PX 1.01377 7 6PY 0.00000 1.01377 8 6PZ 0.00000 0.00000 1.01434 9 7PX -0.03226 0.00000 0.00000 0.11139 10 7PY 0.00000 -0.03226 0.00000 0.00000 0.11139 11 7PZ 0.00000 0.00000 -0.03525 0.00000 0.00000 12 8PX -0.04571 0.00000 0.00000 0.09930 0.00000 13 8PY 0.00000 -0.04571 0.00000 0.00000 0.09930 14 8PZ 0.00000 0.00000 -0.04270 0.00000 0.00000 15 9PX -0.00007 0.00000 0.00000 0.00268 0.00000 16 9PY 0.00000 -0.00007 0.00000 0.00000 0.00268 17 9PZ 0.00000 0.00000 0.00110 0.00000 0.00000 18 10D 0 0.00000 0.00000 0.01245 0.00000 0.00000 19 10D+1 -0.00790 0.00000 0.00000 0.01725 0.00000 20 10D-1 0.00000 -0.00790 0.00000 0.00000 0.01725 21 10D+2 0.00000 0.01198 0.00000 0.00000 -0.02618 22 10D-2 0.01198 0.00000 0.00000 -0.02618 0.00000 23 11D 0 0.00000 0.00000 0.00472 0.00000 0.00000 24 11D+1 0.00460 0.00000 0.00000 -0.00449 0.00000 25 11D-1 0.00000 0.00460 0.00000 0.00000 -0.00449 26 11D+2 0.00000 0.00857 0.00000 0.00000 -0.01788 27 11D-2 0.00857 0.00000 0.00000 -0.01788 0.00000 28 2 Si 1S 0.00000 0.00000 0.00343 0.00000 0.00000 29 2S 0.00000 0.00000 -0.01413 0.00000 0.00000 30 3S 0.00000 0.00000 0.02610 0.00000 0.00000 31 4S 0.00000 0.00000 0.02211 0.00000 0.00000 32 5S 0.00000 0.00000 -0.01573 0.00000 0.00000 33 6PX 0.00111 0.00000 0.00000 -0.00223 0.00000 34 6PY 0.00000 0.00111 0.00000 0.00000 -0.00223 35 6PZ 0.00000 0.00000 -0.02155 0.00000 0.00000 36 7PX -0.00223 0.00000 0.00000 0.00417 0.00000 37 7PY 0.00000 -0.00223 0.00000 0.00000 0.00417 38 7PZ 0.00000 0.00000 0.04850 0.00000 0.00000 39 8PX 0.01106 0.00000 0.00000 -0.01940 0.00000 40 8PY 0.00000 0.01106 0.00000 0.00000 -0.01940 41 8PZ 0.00000 0.00000 0.02649 0.00000 0.00000 42 9PX 0.00030 0.00000 0.00000 0.00006 0.00000 43 9PY 0.00000 0.00030 0.00000 0.00000 0.00006 44 9PZ 0.00000 0.00000 -0.00101 0.00000 0.00000 45 10D 0 0.00000 0.00000 0.01108 0.00000 0.00000 46 10D+1 -0.00274 0.00000 0.00000 0.00527 0.00000 47 10D-1 0.00000 -0.00274 0.00000 0.00000 0.00527 48 10D+2 0.00000 0.00058 0.00000 0.00000 -0.00115 49 10D-2 0.00058 0.00000 0.00000 -0.00115 0.00000 50 11D 0 0.00000 0.00000 0.00176 0.00000 0.00000 51 11D+1 0.00524 0.00000 0.00000 -0.00860 0.00000 52 11D-1 0.00000 0.00524 0.00000 0.00000 -0.00860 53 11D+2 0.00000 -0.00164 0.00000 0.00000 0.00229 54 11D-2 -0.00164 0.00000 0.00000 0.00229 0.00000 55 3 H 1S 0.00000 -0.05617 -0.02049 0.00000 0.12092 56 2S 0.00000 -0.02419 -0.01831 0.00000 0.03437 57 3S 0.00000 -0.00073 -0.00093 0.00000 -0.00371 58 4PX -0.00067 0.00000 0.00000 0.00153 0.00000 59 4PY 0.00000 0.00176 0.00095 0.00000 -0.00548 60 4PZ 0.00000 0.00110 -0.00058 0.00000 -0.00288 61 5PX -0.00131 0.00000 0.00000 0.00094 0.00000 62 5PY 0.00000 0.00253 0.00277 0.00000 0.00314 63 5PZ 0.00000 -0.00218 0.00169 0.00000 0.00641 64 4 H 1S 0.04864 0.02808 -0.02049 -0.10472 -0.06046 65 2S 0.02095 0.01210 -0.01831 -0.02976 -0.01718 66 3S 0.00064 0.00037 -0.00093 0.00322 0.00186 67 4PX 0.00115 0.00105 -0.00082 -0.00373 -0.00304 68 4PY 0.00105 -0.00006 -0.00048 -0.00304 -0.00022 69 4PZ -0.00095 -0.00055 -0.00058 0.00250 0.00144 70 5PX 0.00157 0.00166 -0.00240 0.00259 0.00095 71 5PY 0.00166 -0.00035 -0.00139 0.00095 0.00149 72 5PZ 0.00188 0.00109 0.00169 -0.00555 -0.00320 73 5 H 1S -0.04864 0.02808 -0.02049 0.10472 -0.06046 74 2S -0.02095 0.01210 -0.01831 0.02976 -0.01718 75 3S -0.00064 0.00037 -0.00093 -0.00322 0.00186 76 4PX 0.00115 -0.00105 0.00082 -0.00373 0.00304 77 4PY -0.00105 -0.00006 -0.00048 0.00304 -0.00022 78 4PZ 0.00095 -0.00055 -0.00058 -0.00250 0.00144 79 5PX 0.00157 -0.00166 0.00240 0.00259 -0.00095 80 5PY -0.00166 -0.00035 -0.00139 -0.00095 0.00149 81 5PZ -0.00188 0.00109 0.00169 0.00555 -0.00320 82 6 H 1S 0.00000 -0.00035 -0.00796 0.00000 0.00126 83 2S 0.00000 0.00183 -0.00974 0.00000 -0.00316 84 3S 0.00000 -0.00080 0.00274 0.00000 0.00258 85 4PX -0.00003 0.00000 0.00000 0.00007 0.00000 86 4PY 0.00000 0.00007 -0.00013 0.00000 -0.00008 87 4PZ 0.00000 -0.00014 0.00083 0.00000 0.00020 88 5PX -0.00133 0.00000 0.00000 0.00208 0.00000 89 5PY 0.00000 0.00118 -0.00092 0.00000 -0.00202 90 5PZ 0.00000 0.00136 -0.00072 0.00000 -0.00225 91 7 H 1S -0.00030 0.00017 -0.00796 0.00109 -0.00063 92 2S 0.00158 -0.00091 -0.00974 -0.00274 0.00158 93 3S -0.00069 0.00040 0.00274 0.00223 -0.00129 94 4PX 0.00004 -0.00004 -0.00012 -0.00004 0.00006 95 4PY -0.00004 -0.00001 0.00007 0.00006 0.00003 96 4PZ -0.00012 0.00007 0.00083 0.00017 -0.00010 97 5PX 0.00055 -0.00109 -0.00079 -0.00099 0.00178 98 5PY -0.00109 -0.00070 0.00046 0.00178 0.00106 99 5PZ 0.00118 -0.00068 -0.00072 -0.00194 0.00112 100 8 H 1S 0.00030 0.00017 -0.00796 -0.00109 -0.00063 101 2S -0.00158 -0.00091 -0.00974 0.00274 0.00158 102 3S 0.00069 0.00040 0.00274 -0.00223 -0.00129 103 4PX 0.00004 0.00004 0.00012 -0.00004 -0.00006 104 4PY 0.00004 -0.00001 0.00007 -0.00006 0.00003 105 4PZ 0.00012 0.00007 0.00083 -0.00017 -0.00010 106 5PX 0.00055 0.00109 0.00079 -0.00099 -0.00178 107 5PY 0.00109 -0.00070 0.00046 -0.00178 0.00106 108 5PZ -0.00118 -0.00068 -0.00072 0.00194 0.00112 11 12 13 14 15 11 7PZ 0.12210 12 8PX 0.00000 0.09365 13 8PY 0.00000 0.00000 0.09365 14 8PZ 0.08224 0.00000 0.00000 0.05744 15 9PX 0.00000 0.00239 0.00000 0.00000 0.00006 16 9PY 0.00000 0.00000 0.00239 0.00000 0.00000 17 9PZ -0.00196 0.00000 0.00000 -0.00118 0.00000 18 10D 0 -0.02927 0.00000 0.00000 -0.02005 0.00000 19 10D+1 0.00000 0.01667 0.00000 0.00000 0.00042 20 10D-1 0.00000 0.00000 0.01667 0.00000 0.00000 21 10D+2 0.00000 0.00000 -0.02386 0.00000 0.00000 22 10D-2 0.00000 -0.02386 0.00000 0.00000 -0.00063 23 11D 0 -0.00835 0.00000 0.00000 -0.00603 0.00000 24 11D+1 0.00000 -0.00590 0.00000 0.00000 -0.00011 25 11D-1 0.00000 0.00000 -0.00590 0.00000 0.00000 26 11D+2 0.00000 0.00000 -0.01565 0.00000 0.00000 27 11D-2 0.00000 -0.01565 0.00000 0.00000 -0.00043 28 2 Si 1S -0.00742 0.00000 0.00000 -0.00122 0.00000 29 2S 0.03060 0.00000 0.00000 0.00127 0.00000 30 3S -0.05509 0.00000 0.00000 -0.04480 0.00000 31 4S -0.04174 0.00000 0.00000 -0.02942 0.00000 32 5S 0.01730 0.00000 0.00000 0.01383 0.00000 33 6PX 0.00000 0.01106 0.00000 0.00000 0.00030 34 6PY 0.00000 0.00000 0.01106 0.00000 0.00000 35 6PZ 0.04850 0.00000 0.00000 0.02649 0.00000 36 7PX 0.00000 -0.01940 0.00000 0.00000 0.00006 37 7PY 0.00000 0.00000 -0.01940 0.00000 0.00000 38 7PZ -0.10747 0.00000 0.00000 -0.06867 0.00000 39 8PX 0.00000 -0.03830 0.00000 0.00000 -0.00051 40 8PY 0.00000 0.00000 -0.03830 0.00000 0.00000 41 8PZ -0.06867 0.00000 0.00000 -0.04197 0.00000 42 9PX 0.00000 -0.00051 0.00000 0.00000 0.00000 43 9PY 0.00000 0.00000 -0.00051 0.00000 0.00000 44 9PZ 0.00180 0.00000 0.00000 0.00130 0.00000 45 10D 0 -0.02439 0.00000 0.00000 -0.01530 0.00000 46 10D+1 0.00000 0.00836 0.00000 0.00000 0.00013 47 10D-1 0.00000 0.00000 0.00836 0.00000 0.00000 48 10D+2 0.00000 0.00000 -0.00651 0.00000 0.00000 49 10D-2 0.00000 -0.00651 0.00000 0.00000 -0.00004 50 11D 0 -0.00678 0.00000 0.00000 -0.00393 0.00000 51 11D+1 0.00000 -0.00874 0.00000 0.00000 -0.00021 52 11D-1 0.00000 0.00000 -0.00874 0.00000 0.00000 53 11D+2 0.00000 0.00000 -0.00166 0.00000 0.00000 54 11D-2 0.00000 -0.00166 0.00000 0.00000 0.00005 55 3 H 1S 0.04387 0.00000 0.10936 0.03269 0.00000 56 2S 0.02643 0.00000 0.03049 0.01890 0.00000 57 3S -0.00027 0.00000 -0.00277 0.00015 0.00000 58 4PX 0.00000 0.00136 0.00000 0.00000 0.00004 59 4PY -0.00253 0.00000 -0.00492 -0.00198 0.00000 60 4PZ 0.00115 0.00000 -0.00264 0.00067 0.00000 61 5PX 0.00000 0.00043 0.00000 0.00000 0.00002 62 5PY -0.00065 0.00000 0.00319 -0.00047 0.00000 63 5PZ -0.00127 0.00000 0.00624 -0.00102 0.00000 64 4 H 1S 0.04387 -0.09471 -0.05468 0.03269 -0.00251 65 2S 0.02643 -0.02640 -0.01524 0.01890 -0.00071 66 3S -0.00027 0.00240 0.00139 0.00015 0.00008 67 4PX 0.00219 -0.00335 -0.00272 0.00172 -0.00009 68 4PY 0.00127 -0.00272 -0.00021 0.00099 -0.00007 69 4PZ 0.00115 0.00228 0.00132 0.00067 0.00006 70 5PX 0.00056 0.00250 0.00120 0.00040 0.00006 71 5PY 0.00033 0.00120 0.00112 0.00023 0.00003 72 5PZ -0.00127 -0.00540 -0.00312 -0.00102 -0.00013 73 5 H 1S 0.04387 0.09471 -0.05468 0.03269 0.00251 74 2S 0.02643 0.02640 -0.01524 0.01890 0.00071 75 3S -0.00027 -0.00240 0.00139 0.00015 -0.00008 76 4PX -0.00219 -0.00335 0.00272 -0.00172 -0.00009 77 4PY 0.00127 0.00272 -0.00021 0.00099 0.00007 78 4PZ 0.00115 -0.00228 0.00132 0.00067 -0.00006 79 5PX -0.00056 0.00250 -0.00120 -0.00040 0.00006 80 5PY 0.00033 -0.00120 0.00112 0.00023 -0.00003 81 5PZ -0.00127 0.00540 -0.00312 -0.00102 0.00013 82 6 H 1S 0.01899 0.00000 0.02642 0.00851 0.00000 83 2S 0.01645 0.00000 0.00438 0.00939 0.00000 84 3S -0.00291 0.00000 0.00156 -0.00227 0.00000 85 4PX 0.00000 -0.00026 0.00000 0.00000 0.00000 86 4PY 0.00039 0.00000 0.00107 -0.00008 0.00000 87 4PZ -0.00175 0.00000 0.00078 -0.00125 0.00000 88 5PX 0.00000 0.00168 0.00000 0.00000 0.00005 89 5PY 0.00032 0.00000 -0.00246 0.00022 0.00000 90 5PZ 0.00036 0.00000 -0.00337 0.00008 0.00000 91 7 H 1S 0.01899 0.02288 -0.01321 0.00851 0.00007 92 2S 0.01645 0.00379 -0.00219 0.00939 -0.00005 93 3S -0.00291 0.00135 -0.00078 -0.00227 0.00005 94 4PX 0.00034 0.00074 -0.00058 -0.00007 0.00000 95 4PY -0.00020 -0.00058 0.00007 0.00004 0.00000 96 4PZ -0.00175 0.00067 -0.00039 -0.00125 0.00001 97 5PX 0.00028 -0.00142 0.00179 0.00019 -0.00002 98 5PY -0.00016 0.00179 0.00065 -0.00011 0.00004 99 5PZ 0.00036 -0.00292 0.00168 0.00008 -0.00005 100 8 H 1S 0.01899 -0.02288 -0.01321 0.00851 -0.00007 101 2S 0.01645 -0.00379 -0.00219 0.00939 0.00005 102 3S -0.00291 -0.00135 -0.00078 -0.00227 -0.00005 103 4PX -0.00034 0.00074 0.00058 0.00007 0.00000 104 4PY -0.00020 0.00058 0.00007 0.00004 0.00000 105 4PZ -0.00175 -0.00067 -0.00039 -0.00125 -0.00001 106 5PX -0.00028 -0.00142 -0.00179 -0.00019 -0.00002 107 5PY -0.00016 -0.00179 0.00065 -0.00011 -0.00004 108 5PZ 0.00036 0.00292 0.00168 0.00008 0.00005 16 17 18 19 20 16 9PY 0.00006 17 9PZ 0.00000 0.00005 18 10D 0 0.00000 0.00047 0.00719 19 10D+1 0.00000 0.00000 0.00000 0.00300 20 10D-1 0.00042 0.00000 0.00000 0.00000 0.00300 21 10D+2 -0.00063 0.00000 0.00000 0.00000 -0.00418 22 10D-2 0.00000 0.00000 0.00000 -0.00418 0.00000 23 11D 0 0.00000 0.00010 0.00203 0.00000 0.00000 24 11D+1 0.00000 0.00000 0.00000 -0.00118 0.00000 25 11D-1 -0.00011 0.00000 0.00000 0.00000 -0.00118 26 11D+2 -0.00043 0.00000 0.00000 0.00000 -0.00269 27 11D-2 0.00000 0.00000 0.00000 -0.00269 0.00000 28 2 Si 1S 0.00000 0.00061 0.00241 0.00000 0.00000 29 2S 0.00000 -0.00281 -0.00979 0.00000 0.00000 30 3S 0.00000 0.00074 0.01803 0.00000 0.00000 31 4S 0.00000 0.00082 0.01238 0.00000 0.00000 32 5S 0.00000 -0.00023 -0.00515 0.00000 0.00000 33 6PX 0.00000 0.00000 0.00000 0.00274 0.00000 34 6PY 0.00030 0.00000 0.00000 0.00000 0.00274 35 6PZ 0.00000 -0.00101 -0.01108 0.00000 0.00000 36 7PX 0.00000 0.00000 0.00000 -0.00527 0.00000 37 7PY 0.00006 0.00000 0.00000 0.00000 -0.00527 38 7PZ 0.00000 0.00180 0.02439 0.00000 0.00000 39 8PX 0.00000 0.00000 0.00000 -0.00836 0.00000 40 8PY -0.00051 0.00000 0.00000 0.00000 -0.00836 41 8PZ 0.00000 0.00130 0.01530 0.00000 0.00000 42 9PX 0.00000 0.00000 0.00000 -0.00013 0.00000 43 9PY 0.00000 0.00000 0.00000 0.00000 -0.00013 44 9PZ 0.00000 -0.00001 -0.00042 0.00000 0.00000 45 10D 0 0.00000 0.00042 0.00553 0.00000 0.00000 46 10D+1 0.00000 0.00000 0.00000 0.00175 0.00000 47 10D-1 0.00013 0.00000 0.00000 0.00000 0.00175 48 10D+2 -0.00004 0.00000 0.00000 0.00000 -0.00158 49 10D-2 0.00000 0.00000 0.00000 -0.00158 0.00000 50 11D 0 0.00000 0.00015 0.00147 0.00000 0.00000 51 11D+1 0.00000 0.00000 0.00000 -0.00160 0.00000 52 11D-1 -0.00021 0.00000 0.00000 0.00000 -0.00160 53 11D+2 0.00005 0.00000 0.00000 0.00000 -0.00059 54 11D-2 0.00000 0.00000 0.00000 -0.00059 0.00000 55 3 H 1S 0.00289 -0.00062 -0.01044 0.00000 0.01910 56 2S 0.00081 -0.00042 -0.00633 0.00000 0.00526 57 3S -0.00009 -0.00001 0.00000 0.00000 -0.00044 58 4PX 0.00000 0.00000 0.00000 0.00024 0.00000 59 4PY -0.00013 0.00003 0.00059 0.00000 -0.00086 60 4PZ -0.00007 -0.00002 -0.00028 0.00000 -0.00046 61 5PX 0.00000 0.00000 0.00000 0.00004 0.00000 62 5PY 0.00008 0.00002 0.00017 0.00000 0.00059 63 5PZ 0.00015 0.00002 0.00037 0.00000 0.00113 64 4 H 1S -0.00145 -0.00062 -0.01044 -0.01654 -0.00955 65 2S -0.00041 -0.00042 -0.00633 -0.00456 -0.00263 66 3S 0.00004 -0.00001 0.00000 0.00038 0.00022 67 4PX -0.00007 -0.00003 -0.00052 -0.00058 -0.00047 68 4PY -0.00001 -0.00002 -0.00030 -0.00047 -0.00004 69 4PZ 0.00003 -0.00002 -0.00028 0.00040 0.00023 70 5PX 0.00003 -0.00002 -0.00015 0.00045 0.00024 71 5PY 0.00004 -0.00001 -0.00009 0.00024 0.00018 72 5PZ -0.00008 0.00002 0.00037 -0.00098 -0.00056 73 5 H 1S -0.00145 -0.00062 -0.01044 0.01654 -0.00955 74 2S -0.00041 -0.00042 -0.00633 0.00456 -0.00263 75 3S 0.00004 -0.00001 0.00000 -0.00038 0.00022 76 4PX 0.00007 0.00003 0.00052 -0.00058 0.00047 77 4PY -0.00001 -0.00002 -0.00030 0.00047 -0.00004 78 4PZ 0.00003 -0.00002 -0.00028 -0.00040 0.00023 79 5PX -0.00003 0.00002 0.00015 0.00045 -0.00024 80 5PY 0.00004 -0.00001 -0.00009 -0.00024 0.00018 81 5PZ -0.00008 0.00002 0.00037 0.00098 -0.00056 82 6 H 1S 0.00009 -0.00035 -0.00194 0.00000 0.00666 83 2S -0.00006 -0.00027 -0.00291 0.00000 0.00135 84 3S 0.00006 0.00005 0.00091 0.00000 0.00021 85 4PX 0.00000 0.00000 0.00000 -0.00007 0.00000 86 4PY 0.00000 -0.00001 0.00013 0.00000 0.00028 87 4PZ 0.00001 0.00003 0.00049 0.00000 0.00018 88 5PX 0.00000 0.00000 0.00000 0.00028 0.00000 89 5PY -0.00005 0.00000 -0.00005 0.00000 -0.00048 90 5PZ -0.00006 -0.00001 -0.00005 0.00000 -0.00070 91 7 H 1S -0.00004 -0.00035 -0.00194 0.00576 -0.00333 92 2S 0.00003 -0.00027 -0.00291 0.00117 -0.00067 93 3S -0.00003 0.00005 0.00091 0.00018 -0.00010 94 4PX 0.00000 -0.00001 0.00012 0.00019 -0.00015 95 4PY 0.00000 0.00000 -0.00007 -0.00015 0.00002 96 4PZ 0.00000 0.00003 0.00049 0.00016 -0.00009 97 5PX 0.00004 0.00000 -0.00005 -0.00029 0.00033 98 5PY 0.00002 0.00000 0.00003 0.00033 0.00009 99 5PZ 0.00003 -0.00001 -0.00005 -0.00060 0.00035 100 8 H 1S -0.00004 -0.00035 -0.00194 -0.00576 -0.00333 101 2S 0.00003 -0.00027 -0.00291 -0.00117 -0.00067 102 3S -0.00003 0.00005 0.00091 -0.00018 -0.00010 103 4PX 0.00000 0.00001 -0.00012 0.00019 0.00015 104 4PY 0.00000 0.00000 -0.00007 0.00015 0.00002 105 4PZ 0.00000 0.00003 0.00049 -0.00016 -0.00009 106 5PX -0.00004 0.00000 0.00005 -0.00029 -0.00033 107 5PY 0.00002 0.00000 0.00003 -0.00033 0.00009 108 5PZ 0.00003 -0.00001 -0.00005 0.00060 0.00035 21 22 23 24 25 21 10D+2 0.00621 22 10D-2 0.00000 0.00621 23 11D 0 0.00000 0.00000 0.00066 24 11D+1 0.00000 0.00124 0.00000 0.00089 25 11D-1 0.00124 0.00000 0.00000 0.00000 0.00089 26 11D+2 0.00418 0.00000 0.00000 0.00000 0.00060 27 11D-2 0.00000 0.00418 0.00000 0.00060 0.00000 28 2 Si 1S 0.00000 0.00000 -0.00071 0.00000 0.00000 29 2S 0.00000 0.00000 0.00391 0.00000 0.00000 30 3S 0.00000 0.00000 0.00432 0.00000 0.00000 31 4S 0.00000 0.00000 0.00247 0.00000 0.00000 32 5S 0.00000 0.00000 -0.00143 0.00000 0.00000 33 6PX 0.00000 -0.00058 0.00000 -0.00524 0.00000 34 6PY -0.00058 0.00000 0.00000 0.00000 -0.00524 35 6PZ 0.00000 0.00000 -0.00176 0.00000 0.00000 36 7PX 0.00000 0.00115 0.00000 0.00860 0.00000 37 7PY 0.00115 0.00000 0.00000 0.00000 0.00860 38 7PZ 0.00000 0.00000 0.00678 0.00000 0.00000 39 8PX 0.00000 0.00651 0.00000 0.00874 0.00000 40 8PY 0.00651 0.00000 0.00000 0.00000 0.00874 41 8PZ 0.00000 0.00000 0.00393 0.00000 0.00000 42 9PX 0.00000 0.00004 0.00000 0.00021 0.00000 43 9PY 0.00004 0.00000 0.00000 0.00000 0.00021 44 9PZ 0.00000 0.00000 -0.00015 0.00000 0.00000 45 10D 0 0.00000 0.00000 0.00147 0.00000 0.00000 46 10D+1 0.00000 -0.00158 0.00000 -0.00160 0.00000 47 10D-1 -0.00158 0.00000 0.00000 0.00000 -0.00160 48 10D+2 0.00078 0.00000 0.00000 0.00000 0.00213 49 10D-2 0.00000 0.00078 0.00000 0.00213 0.00000 50 11D 0 0.00000 0.00000 0.00035 0.00000 0.00000 51 11D+1 0.00000 0.00213 0.00000 0.00074 0.00000 52 11D-1 0.00213 0.00000 0.00000 0.00000 0.00074 53 11D+2 -0.00020 0.00000 0.00000 0.00000 0.00132 54 11D-2 0.00000 -0.00020 0.00000 0.00132 0.00000 55 3 H 1S -0.02862 0.00000 -0.00381 0.00000 -0.00541 56 2S -0.00810 0.00000 -0.00207 0.00000 -0.00128 57 3S 0.00082 0.00000 -0.00005 0.00000 -0.00005 58 4PX 0.00000 -0.00036 0.00000 -0.00006 0.00000 59 4PY 0.00129 0.00000 0.00025 0.00000 0.00023 60 4PZ 0.00068 0.00000 -0.00005 0.00000 0.00014 61 5PX 0.00000 -0.00019 0.00000 0.00012 0.00000 62 5PY -0.00076 0.00000 0.00004 0.00000 -0.00029 63 5PZ -0.00156 0.00000 0.00011 0.00000 -0.00046 64 4 H 1S 0.01431 0.02478 -0.00381 0.00468 0.00270 65 2S 0.00405 0.00702 -0.00207 0.00111 0.00064 66 3S -0.00041 -0.00071 -0.00005 0.00004 0.00002 67 4PX 0.00072 0.00088 -0.00021 0.00016 0.00013 68 4PY 0.00005 0.00072 -0.00012 0.00013 0.00001 69 4PZ -0.00034 -0.00059 -0.00005 -0.00012 -0.00007 70 5PX -0.00025 -0.00062 -0.00004 -0.00018 -0.00018 71 5PY -0.00033 -0.00025 -0.00002 -0.00018 0.00002 72 5PZ 0.00078 0.00135 0.00011 0.00040 0.00023 73 5 H 1S 0.01431 -0.02478 -0.00381 -0.00468 0.00270 74 2S 0.00405 -0.00702 -0.00207 -0.00111 0.00064 75 3S -0.00041 0.00071 -0.00005 -0.00004 0.00002 76 4PX -0.00072 0.00088 0.00021 0.00016 -0.00013 77 4PY 0.00005 -0.00072 -0.00012 -0.00013 0.00001 78 4PZ -0.00034 0.00059 -0.00005 0.00012 -0.00007 79 5PX 0.00025 -0.00062 0.00004 -0.00018 0.00018 80 5PY -0.00033 0.00025 -0.00002 0.00018 0.00002 81 5PZ 0.00078 -0.00135 0.00011 -0.00040 0.00023 82 6 H 1S -0.00263 0.00000 -0.00096 0.00000 -0.00965 83 2S 0.00008 0.00000 -0.00099 0.00000 -0.00261 84 3S -0.00054 0.00000 0.00021 0.00000 0.00018 85 4PX 0.00000 0.00001 0.00000 0.00012 0.00000 86 4PY -0.00009 0.00000 -0.00001 0.00000 -0.00043 87 4PZ -0.00010 0.00000 0.00012 0.00000 -0.00024 88 5PX 0.00000 -0.00048 0.00000 -0.00002 0.00000 89 5PY 0.00054 0.00000 -0.00003 0.00000 0.00033 90 5PZ 0.00066 0.00000 0.00001 0.00000 0.00061 91 7 H 1S 0.00131 -0.00228 -0.00096 -0.00836 0.00482 92 2S -0.00004 0.00007 -0.00099 -0.00226 0.00130 93 3S 0.00027 -0.00047 0.00021 0.00015 -0.00009 94 4PX 0.00004 -0.00006 -0.00001 -0.00029 0.00024 95 4PY -0.00001 0.00004 0.00000 0.00024 -0.00002 96 4PZ 0.00005 -0.00009 0.00012 -0.00020 0.00012 97 5PX -0.00044 0.00028 -0.00002 0.00024 -0.00015 98 5PY -0.00022 -0.00044 0.00001 -0.00015 0.00007 99 5PZ -0.00033 0.00057 0.00001 0.00052 -0.00030 100 8 H 1S 0.00131 0.00228 -0.00096 0.00836 0.00482 101 2S -0.00004 -0.00007 -0.00099 0.00226 0.00130 102 3S 0.00027 0.00047 0.00021 -0.00015 -0.00009 103 4PX -0.00004 -0.00006 0.00001 -0.00029 -0.00024 104 4PY -0.00001 -0.00004 0.00000 -0.00024 -0.00002 105 4PZ 0.00005 0.00009 0.00012 0.00020 0.00012 106 5PX 0.00044 0.00028 0.00002 0.00024 0.00015 107 5PY -0.00022 0.00044 0.00001 0.00015 0.00007 108 5PZ -0.00033 -0.00057 0.00001 -0.00052 -0.00030 26 27 28 29 30 26 11D+2 0.00291 27 11D-2 0.00000 0.00291 28 2 Si 1S 0.00000 0.00000 1.07480 29 2S 0.00000 0.00000 -0.28933 1.12135 30 3S 0.00000 0.00000 0.01334 -0.05156 0.17189 31 4S 0.00000 0.00000 0.02044 -0.08971 0.09016 32 5S 0.00000 0.00000 -0.00733 0.03041 -0.03542 33 6PX 0.00000 0.00164 0.00000 0.00000 0.00000 34 6PY 0.00164 0.00000 0.00000 0.00000 0.00000 35 6PZ 0.00000 0.00000 -0.00021 0.00148 -0.00101 36 7PX 0.00000 -0.00229 0.00000 0.00000 0.00000 37 7PY -0.00229 0.00000 0.00000 0.00000 0.00000 38 7PZ 0.00000 0.00000 0.00100 -0.00490 0.00832 39 8PX 0.00000 0.00166 0.00000 0.00000 0.00000 40 8PY 0.00166 0.00000 0.00000 0.00000 0.00000 41 8PZ 0.00000 0.00000 0.00473 -0.02324 -0.00264 42 9PX 0.00000 -0.00005 0.00000 0.00000 0.00000 43 9PY -0.00005 0.00000 0.00000 0.00000 0.00000 44 9PZ 0.00000 0.00000 0.00082 -0.00381 -0.00050 45 10D 0 0.00000 0.00000 0.00047 -0.00239 0.00199 46 10D+1 0.00000 -0.00059 0.00000 0.00000 0.00000 47 10D-1 -0.00059 0.00000 0.00000 0.00000 0.00000 48 10D+2 -0.00020 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 -0.00020 0.00000 0.00000 0.00000 50 11D 0 0.00000 0.00000 0.00100 -0.00488 -0.00152 51 11D+1 0.00000 0.00132 0.00000 0.00000 0.00000 52 11D-1 0.00132 0.00000 0.00000 0.00000 0.00000 53 11D+2 -0.00063 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 -0.00063 0.00000 0.00000 0.00000 55 3 H 1S -0.01939 0.00000 -0.00134 0.00508 -0.01211 56 2S -0.00559 0.00000 -0.00181 0.00781 -0.00908 57 3S 0.00063 0.00000 -0.00010 0.00026 -0.00146 58 4PX 0.00000 -0.00025 0.00000 0.00000 0.00000 59 4PY 0.00088 0.00000 0.00002 -0.00004 0.00033 60 4PZ 0.00046 0.00000 -0.00015 0.00064 -0.00093 61 5PX 0.00000 -0.00019 0.00000 0.00000 0.00000 62 5PY -0.00046 0.00000 0.00026 -0.00123 0.00042 63 5PZ -0.00099 0.00000 0.00022 -0.00076 0.00228 64 4 H 1S 0.00970 0.01680 -0.00134 0.00508 -0.01211 65 2S 0.00280 0.00484 -0.00181 0.00781 -0.00908 66 3S -0.00031 -0.00054 -0.00010 0.00026 -0.00146 67 4PX 0.00049 0.00060 -0.00002 0.00003 -0.00028 68 4PY 0.00003 0.00049 -0.00001 0.00002 -0.00016 69 4PZ -0.00023 -0.00040 -0.00015 0.00064 -0.00093 70 5PX -0.00012 -0.00039 -0.00023 0.00106 -0.00036 71 5PY -0.00025 -0.00012 -0.00013 0.00061 -0.00021 72 5PZ 0.00050 0.00086 0.00022 -0.00076 0.00228 73 5 H 1S 0.00970 -0.01680 -0.00134 0.00508 -0.01211 74 2S 0.00280 -0.00484 -0.00181 0.00781 -0.00908 75 3S -0.00031 0.00054 -0.00010 0.00026 -0.00146 76 4PX -0.00049 0.00060 0.00002 -0.00003 0.00028 77 4PY 0.00003 -0.00049 -0.00001 0.00002 -0.00016 78 4PZ -0.00023 0.00040 -0.00015 0.00064 -0.00093 79 5PX 0.00012 -0.00039 0.00023 -0.00106 0.00036 80 5PY -0.00025 0.00012 -0.00013 0.00061 -0.00021 81 5PZ 0.00050 -0.00086 0.00022 -0.00076 0.00228 82 6 H 1S 0.00158 0.00000 0.00949 -0.03827 0.06991 83 2S 0.00102 0.00000 0.00406 -0.01613 0.02377 84 3S -0.00046 0.00000 0.00220 -0.00946 0.00720 85 4PX 0.00000 -0.00003 0.00000 0.00000 0.00000 86 4PY 0.00009 0.00000 0.00093 -0.00394 0.00669 87 4PZ 0.00001 0.00000 0.00041 -0.00174 0.00292 88 5PX 0.00000 -0.00035 0.00000 0.00000 0.00000 89 5PY 0.00028 0.00000 0.00055 -0.00219 0.00065 90 5PZ 0.00027 0.00000 0.00000 0.00022 0.00080 91 7 H 1S -0.00079 0.00137 0.00949 -0.03827 0.06991 92 2S -0.00051 0.00088 0.00406 -0.01613 0.02377 93 3S 0.00023 -0.00040 0.00220 -0.00946 0.00720 94 4PX -0.00005 0.00006 0.00080 -0.00341 0.00579 95 4PY 0.00000 -0.00005 -0.00046 0.00197 -0.00334 96 4PZ -0.00001 0.00001 0.00041 -0.00174 0.00292 97 5PX -0.00027 0.00012 0.00048 -0.00190 0.00057 98 5PY -0.00019 -0.00027 -0.00028 0.00110 -0.00033 99 5PZ -0.00013 0.00023 0.00000 0.00022 0.00080 100 8 H 1S -0.00079 -0.00137 0.00949 -0.03827 0.06991 101 2S -0.00051 -0.00088 0.00406 -0.01613 0.02377 102 3S 0.00023 0.00040 0.00220 -0.00946 0.00720 103 4PX 0.00005 0.00006 -0.00080 0.00341 -0.00579 104 4PY 0.00000 0.00005 -0.00046 0.00197 -0.00334 105 4PZ -0.00001 -0.00001 0.00041 -0.00174 0.00292 106 5PX 0.00027 0.00012 -0.00048 0.00190 -0.00057 107 5PY -0.00019 0.00027 -0.00028 0.00110 -0.00033 108 5PZ -0.00013 -0.00023 0.00000 0.00022 0.00080 31 32 33 34 35 31 4S 0.05518 32 5S -0.01851 0.00934 33 6PX 0.00000 0.00000 1.01377 34 6PY 0.00000 0.00000 0.00000 1.01377 35 6PZ -0.02848 -0.00418 0.00000 0.00000 1.01434 36 7PX 0.00000 0.00000 -0.03226 0.00000 0.00000 37 7PY 0.00000 0.00000 0.00000 -0.03226 0.00000 38 7PZ 0.02223 -0.00360 0.00000 0.00000 -0.03525 39 8PX 0.00000 0.00000 -0.04571 0.00000 0.00000 40 8PY 0.00000 0.00000 0.00000 -0.04571 0.00000 41 8PZ 0.01331 -0.00004 0.00000 0.00000 -0.04270 42 9PX 0.00000 0.00000 -0.00007 0.00000 0.00000 43 9PY 0.00000 0.00000 0.00000 -0.00007 0.00000 44 9PZ -0.00029 0.00009 0.00000 0.00000 0.00110 45 10D 0 0.00588 -0.00039 0.00000 0.00000 -0.01245 46 10D+1 0.00000 0.00000 0.00790 0.00000 0.00000 47 10D-1 0.00000 0.00000 0.00000 0.00790 0.00000 48 10D+2 0.00000 0.00000 0.00000 -0.01198 0.00000 49 10D-2 0.00000 0.00000 -0.01198 0.00000 0.00000 50 11D 0 0.00091 0.00022 0.00000 0.00000 -0.00472 51 11D+1 0.00000 0.00000 -0.00460 0.00000 0.00000 52 11D-1 0.00000 0.00000 0.00000 -0.00460 0.00000 53 11D+2 0.00000 0.00000 0.00000 -0.00857 0.00000 54 11D-2 0.00000 0.00000 -0.00857 0.00000 0.00000 55 3 H 1S -0.00269 0.01069 0.00000 0.00035 0.00796 56 2S -0.00495 0.00537 0.00000 -0.00183 0.00974 57 3S 0.00014 0.00082 0.00000 0.00080 -0.00274 58 4PX 0.00000 0.00000 -0.00003 0.00000 0.00000 59 4PY -0.00034 -0.00075 0.00000 0.00007 -0.00013 60 4PZ -0.00093 0.00002 0.00000 -0.00014 0.00083 61 5PX 0.00000 0.00000 -0.00133 0.00000 0.00000 62 5PY 0.00031 -0.00020 0.00000 0.00118 -0.00092 63 5PZ 0.00116 -0.00060 0.00000 0.00136 -0.00072 64 4 H 1S -0.00269 0.01069 -0.00030 -0.00017 0.00796 65 2S -0.00495 0.00537 0.00158 0.00091 0.00974 66 3S 0.00014 0.00082 -0.00069 -0.00040 -0.00274 67 4PX 0.00029 0.00065 0.00004 0.00004 0.00012 68 4PY 0.00017 0.00038 0.00004 -0.00001 0.00007 69 4PZ -0.00093 0.00002 0.00012 0.00007 0.00083 70 5PX -0.00026 0.00017 0.00055 0.00109 0.00079 71 5PY -0.00015 0.00010 0.00109 -0.00070 0.00046 72 5PZ 0.00116 -0.00060 -0.00118 -0.00068 -0.00072 73 5 H 1S -0.00269 0.01069 0.00030 -0.00017 0.00796 74 2S -0.00495 0.00537 -0.00158 0.00091 0.00974 75 3S 0.00014 0.00082 0.00069 -0.00040 -0.00274 76 4PX -0.00029 -0.00065 0.00004 -0.00004 -0.00012 77 4PY 0.00017 0.00038 -0.00004 -0.00001 0.00007 78 4PZ -0.00093 0.00002 -0.00012 0.00007 0.00083 79 5PX 0.00026 -0.00017 0.00055 -0.00109 -0.00079 80 5PY -0.00015 0.00010 -0.00109 -0.00070 0.00046 81 5PZ 0.00116 -0.00060 0.00118 -0.00068 -0.00072 82 6 H 1S 0.03082 -0.01377 0.00000 0.05617 0.02049 83 2S 0.00885 -0.00454 0.00000 0.02419 0.01831 84 3S 0.00398 -0.00184 0.00000 0.00073 0.00093 85 4PX 0.00000 0.00000 -0.00067 0.00000 0.00000 86 4PY 0.00323 -0.00134 0.00000 0.00176 0.00095 87 4PZ 0.00175 -0.00061 0.00000 0.00110 -0.00058 88 5PX 0.00000 0.00000 -0.00131 0.00000 0.00000 89 5PY 0.00029 -0.00018 0.00000 0.00253 0.00277 90 5PZ 0.00002 -0.00032 0.00000 -0.00218 0.00169 91 7 H 1S 0.03082 -0.01377 0.04864 -0.02808 0.02049 92 2S 0.00885 -0.00454 0.02095 -0.01210 0.01831 93 3S 0.00398 -0.00184 0.00064 -0.00037 0.00093 94 4PX 0.00279 -0.00116 0.00115 -0.00105 0.00082 95 4PY -0.00161 0.00067 -0.00105 -0.00006 -0.00048 96 4PZ 0.00175 -0.00061 0.00095 -0.00055 -0.00058 97 5PX 0.00025 -0.00015 0.00157 -0.00166 0.00240 98 5PY -0.00015 0.00009 -0.00166 -0.00035 -0.00139 99 5PZ 0.00002 -0.00032 -0.00188 0.00109 0.00169 100 8 H 1S 0.03082 -0.01377 -0.04864 -0.02808 0.02049 101 2S 0.00885 -0.00454 -0.02095 -0.01210 0.01831 102 3S 0.00398 -0.00184 -0.00064 -0.00037 0.00093 103 4PX -0.00279 0.00116 0.00115 0.00105 -0.00082 104 4PY -0.00161 0.00067 0.00105 -0.00006 -0.00048 105 4PZ 0.00175 -0.00061 -0.00095 -0.00055 -0.00058 106 5PX -0.00025 0.00015 0.00157 0.00166 -0.00240 107 5PY -0.00015 0.00009 0.00166 -0.00035 -0.00139 108 5PZ 0.00002 -0.00032 0.00188 0.00109 0.00169 36 37 38 39 40 36 7PX 0.11139 37 7PY 0.00000 0.11139 38 7PZ 0.00000 0.00000 0.12210 39 8PX 0.09930 0.00000 0.00000 0.09365 40 8PY 0.00000 0.09930 0.00000 0.00000 0.09365 41 8PZ 0.00000 0.00000 0.08224 0.00000 0.00000 42 9PX 0.00268 0.00000 0.00000 0.00239 0.00000 43 9PY 0.00000 0.00268 0.00000 0.00000 0.00239 44 9PZ 0.00000 0.00000 -0.00196 0.00000 0.00000 45 10D 0 0.00000 0.00000 0.02927 0.00000 0.00000 46 10D+1 -0.01725 0.00000 0.00000 -0.01667 0.00000 47 10D-1 0.00000 -0.01725 0.00000 0.00000 -0.01667 48 10D+2 0.00000 0.02618 0.00000 0.00000 0.02386 49 10D-2 0.02618 0.00000 0.00000 0.02386 0.00000 50 11D 0 0.00000 0.00000 0.00835 0.00000 0.00000 51 11D+1 0.00449 0.00000 0.00000 0.00590 0.00000 52 11D-1 0.00000 0.00449 0.00000 0.00000 0.00590 53 11D+2 0.00000 0.01788 0.00000 0.00000 0.01565 54 11D-2 0.01788 0.00000 0.00000 0.01565 0.00000 55 3 H 1S 0.00000 -0.00126 -0.01899 0.00000 -0.02642 56 2S 0.00000 0.00316 -0.01645 0.00000 -0.00438 57 3S 0.00000 -0.00258 0.00291 0.00000 -0.00156 58 4PX 0.00007 0.00000 0.00000 -0.00026 0.00000 59 4PY 0.00000 -0.00008 0.00039 0.00000 0.00107 60 4PZ 0.00000 0.00020 -0.00175 0.00000 0.00078 61 5PX 0.00208 0.00000 0.00000 0.00168 0.00000 62 5PY 0.00000 -0.00202 0.00032 0.00000 -0.00246 63 5PZ 0.00000 -0.00225 0.00036 0.00000 -0.00337 64 4 H 1S 0.00109 0.00063 -0.01899 0.02288 0.01321 65 2S -0.00274 -0.00158 -0.01645 0.00379 0.00219 66 3S 0.00223 0.00129 0.00291 0.00135 0.00078 67 4PX -0.00004 -0.00006 -0.00034 0.00074 0.00058 68 4PY -0.00006 0.00003 -0.00020 0.00058 0.00007 69 4PZ -0.00017 -0.00010 -0.00175 -0.00067 -0.00039 70 5PX -0.00099 -0.00178 -0.00028 -0.00142 -0.00179 71 5PY -0.00178 0.00106 -0.00016 -0.00179 0.00065 72 5PZ 0.00194 0.00112 0.00036 0.00292 0.00168 73 5 H 1S -0.00109 0.00063 -0.01899 -0.02288 0.01321 74 2S 0.00274 -0.00158 -0.01645 -0.00379 0.00219 75 3S -0.00223 0.00129 0.00291 -0.00135 0.00078 76 4PX -0.00004 0.00006 0.00034 0.00074 -0.00058 77 4PY 0.00006 0.00003 -0.00020 -0.00058 0.00007 78 4PZ 0.00017 -0.00010 -0.00175 0.00067 -0.00039 79 5PX -0.00099 0.00178 0.00028 -0.00142 0.00179 80 5PY 0.00178 0.00106 -0.00016 0.00179 0.00065 81 5PZ -0.00194 0.00112 0.00036 -0.00292 0.00168 82 6 H 1S 0.00000 -0.12092 -0.04387 0.00000 -0.10936 83 2S 0.00000 -0.03437 -0.02643 0.00000 -0.03049 84 3S 0.00000 0.00371 0.00027 0.00000 0.00277 85 4PX 0.00153 0.00000 0.00000 0.00136 0.00000 86 4PY 0.00000 -0.00548 -0.00253 0.00000 -0.00492 87 4PZ 0.00000 -0.00288 0.00115 0.00000 -0.00264 88 5PX 0.00094 0.00000 0.00000 0.00043 0.00000 89 5PY 0.00000 0.00314 -0.00065 0.00000 0.00319 90 5PZ 0.00000 0.00641 -0.00127 0.00000 0.00624 91 7 H 1S -0.10472 0.06046 -0.04387 -0.09471 0.05468 92 2S -0.02976 0.01718 -0.02643 -0.02640 0.01524 93 3S 0.00322 -0.00186 0.00027 0.00240 -0.00139 94 4PX -0.00373 0.00304 -0.00219 -0.00335 0.00272 95 4PY 0.00304 -0.00022 0.00127 0.00272 -0.00021 96 4PZ -0.00250 0.00144 0.00115 -0.00228 0.00132 97 5PX 0.00259 -0.00095 -0.00056 0.00250 -0.00120 98 5PY -0.00095 0.00149 0.00033 -0.00120 0.00112 99 5PZ 0.00555 -0.00320 -0.00127 0.00540 -0.00312 100 8 H 1S 0.10472 0.06046 -0.04387 0.09471 0.05468 101 2S 0.02976 0.01718 -0.02643 0.02640 0.01524 102 3S -0.00322 -0.00186 0.00027 -0.00240 -0.00139 103 4PX -0.00373 -0.00304 0.00219 -0.00335 -0.00272 104 4PY -0.00304 -0.00022 0.00127 -0.00272 -0.00021 105 4PZ 0.00250 0.00144 0.00115 0.00228 0.00132 106 5PX 0.00259 0.00095 0.00056 0.00250 0.00120 107 5PY 0.00095 0.00149 0.00033 0.00120 0.00112 108 5PZ -0.00555 -0.00320 -0.00127 -0.00540 -0.00312 41 42 43 44 45 41 8PZ 0.05744 42 9PX 0.00000 0.00006 43 9PY 0.00000 0.00000 0.00006 44 9PZ -0.00118 0.00000 0.00000 0.00005 45 10D 0 0.02005 0.00000 0.00000 -0.00047 0.00719 46 10D+1 0.00000 -0.00042 0.00000 0.00000 0.00000 47 10D-1 0.00000 0.00000 -0.00042 0.00000 0.00000 48 10D+2 0.00000 0.00000 0.00063 0.00000 0.00000 49 10D-2 0.00000 0.00063 0.00000 0.00000 0.00000 50 11D 0 0.00603 0.00000 0.00000 -0.00010 0.00203 51 11D+1 0.00000 0.00011 0.00000 0.00000 0.00000 52 11D-1 0.00000 0.00000 0.00011 0.00000 0.00000 53 11D+2 0.00000 0.00000 0.00043 0.00000 0.00000 54 11D-2 0.00000 0.00043 0.00000 0.00000 0.00000 55 3 H 1S -0.00851 0.00000 -0.00009 0.00035 -0.00194 56 2S -0.00939 0.00000 0.00006 0.00027 -0.00291 57 3S 0.00227 0.00000 -0.00006 -0.00005 0.00091 58 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 59 4PY -0.00008 0.00000 0.00000 -0.00001 -0.00013 60 4PZ -0.00125 0.00000 0.00001 0.00003 -0.00049 61 5PX 0.00000 0.00005 0.00000 0.00000 0.00000 62 5PY 0.00022 0.00000 -0.00005 0.00000 0.00005 63 5PZ 0.00008 0.00000 -0.00006 -0.00001 0.00005 64 4 H 1S -0.00851 0.00007 0.00004 0.00035 -0.00194 65 2S -0.00939 -0.00005 -0.00003 0.00027 -0.00291 66 3S 0.00227 0.00005 0.00003 -0.00005 0.00091 67 4PX 0.00007 0.00000 0.00000 0.00001 0.00012 68 4PY 0.00004 0.00000 0.00000 0.00000 0.00007 69 4PZ -0.00125 -0.00001 0.00000 0.00003 -0.00049 70 5PX -0.00019 -0.00002 -0.00004 0.00000 -0.00005 71 5PY -0.00011 -0.00004 0.00002 0.00000 -0.00003 72 5PZ 0.00008 0.00005 0.00003 -0.00001 0.00005 73 5 H 1S -0.00851 -0.00007 0.00004 0.00035 -0.00194 74 2S -0.00939 0.00005 -0.00003 0.00027 -0.00291 75 3S 0.00227 -0.00005 0.00003 -0.00005 0.00091 76 4PX -0.00007 0.00000 0.00000 -0.00001 -0.00012 77 4PY 0.00004 0.00000 0.00000 0.00000 0.00007 78 4PZ -0.00125 0.00001 0.00000 0.00003 -0.00049 79 5PX 0.00019 -0.00002 0.00004 0.00000 0.00005 80 5PY -0.00011 0.00004 0.00002 0.00000 -0.00003 81 5PZ 0.00008 -0.00005 0.00003 -0.00001 0.00005 82 6 H 1S -0.03269 0.00000 -0.00289 0.00062 -0.01044 83 2S -0.01890 0.00000 -0.00081 0.00042 -0.00633 84 3S -0.00015 0.00000 0.00009 0.00001 0.00000 85 4PX 0.00000 0.00004 0.00000 0.00000 0.00000 86 4PY -0.00198 0.00000 -0.00013 0.00003 -0.00059 87 4PZ 0.00067 0.00000 -0.00007 -0.00002 0.00028 88 5PX 0.00000 0.00002 0.00000 0.00000 0.00000 89 5PY -0.00047 0.00000 0.00008 0.00002 -0.00017 90 5PZ -0.00102 0.00000 0.00015 0.00002 -0.00037 91 7 H 1S -0.03269 -0.00251 0.00145 0.00062 -0.01044 92 2S -0.01890 -0.00071 0.00041 0.00042 -0.00633 93 3S -0.00015 0.00008 -0.00004 0.00001 0.00000 94 4PX -0.00172 -0.00009 0.00007 0.00003 -0.00052 95 4PY 0.00099 0.00007 -0.00001 -0.00002 0.00030 96 4PZ 0.00067 -0.00006 0.00003 -0.00002 0.00028 97 5PX -0.00040 0.00006 -0.00003 0.00002 -0.00015 98 5PY 0.00023 -0.00003 0.00004 -0.00001 0.00009 99 5PZ -0.00102 0.00013 -0.00008 0.00002 -0.00037 100 8 H 1S -0.03269 0.00251 0.00145 0.00062 -0.01044 101 2S -0.01890 0.00071 0.00041 0.00042 -0.00633 102 3S -0.00015 -0.00008 -0.00004 0.00001 0.00000 103 4PX 0.00172 -0.00009 -0.00007 -0.00003 0.00052 104 4PY 0.00099 -0.00007 -0.00001 -0.00002 0.00030 105 4PZ 0.00067 0.00006 0.00003 -0.00002 0.00028 106 5PX 0.00040 0.00006 0.00003 -0.00002 0.00015 107 5PY 0.00023 0.00003 0.00004 -0.00001 0.00009 108 5PZ -0.00102 -0.00013 -0.00008 0.00002 -0.00037 46 47 48 49 50 46 10D+1 0.00300 47 10D-1 0.00000 0.00300 48 10D+2 0.00000 -0.00418 0.00621 49 10D-2 -0.00418 0.00000 0.00000 0.00621 50 11D 0 0.00000 0.00000 0.00000 0.00000 0.00066 51 11D+1 -0.00118 0.00000 0.00000 0.00124 0.00000 52 11D-1 0.00000 -0.00118 0.00124 0.00000 0.00000 53 11D+2 0.00000 -0.00269 0.00418 0.00000 0.00000 54 11D-2 -0.00269 0.00000 0.00000 0.00418 0.00000 55 3 H 1S 0.00000 0.00666 -0.00263 0.00000 -0.00096 56 2S 0.00000 0.00135 0.00008 0.00000 -0.00099 57 3S 0.00000 0.00021 -0.00054 0.00000 0.00021 58 4PX 0.00007 0.00000 0.00000 -0.00001 0.00000 59 4PY 0.00000 -0.00028 0.00009 0.00000 0.00001 60 4PZ 0.00000 -0.00018 0.00010 0.00000 -0.00012 61 5PX -0.00028 0.00000 0.00000 0.00048 0.00000 62 5PY 0.00000 0.00048 -0.00054 0.00000 0.00003 63 5PZ 0.00000 0.00070 -0.00066 0.00000 -0.00001 64 4 H 1S -0.00576 -0.00333 0.00131 0.00228 -0.00096 65 2S -0.00117 -0.00067 -0.00004 -0.00007 -0.00099 66 3S -0.00018 -0.00010 0.00027 0.00047 0.00021 67 4PX -0.00019 -0.00015 0.00004 0.00006 -0.00001 68 4PY -0.00015 -0.00002 0.00001 0.00004 0.00000 69 4PZ 0.00016 0.00009 -0.00005 -0.00009 -0.00012 70 5PX 0.00029 0.00033 -0.00044 -0.00028 -0.00002 71 5PY 0.00033 -0.00009 0.00022 -0.00044 -0.00001 72 5PZ -0.00060 -0.00035 0.00033 0.00057 -0.00001 73 5 H 1S 0.00576 -0.00333 0.00131 -0.00228 -0.00096 74 2S 0.00117 -0.00067 -0.00004 0.00007 -0.00099 75 3S 0.00018 -0.00010 0.00027 -0.00047 0.00021 76 4PX -0.00019 0.00015 -0.00004 0.00006 0.00001 77 4PY 0.00015 -0.00002 0.00001 -0.00004 0.00000 78 4PZ -0.00016 0.00009 -0.00005 0.00009 -0.00012 79 5PX 0.00029 -0.00033 0.00044 -0.00028 0.00002 80 5PY -0.00033 -0.00009 0.00022 0.00044 -0.00001 81 5PZ 0.00060 -0.00035 0.00033 -0.00057 -0.00001 82 6 H 1S 0.00000 0.01910 -0.02862 0.00000 -0.00381 83 2S 0.00000 0.00526 -0.00810 0.00000 -0.00207 84 3S 0.00000 -0.00044 0.00082 0.00000 -0.00005 85 4PX -0.00024 0.00000 0.00000 0.00036 0.00000 86 4PY 0.00000 0.00086 -0.00129 0.00000 -0.00025 87 4PZ 0.00000 0.00046 -0.00068 0.00000 0.00005 88 5PX -0.00004 0.00000 0.00000 0.00019 0.00000 89 5PY 0.00000 -0.00059 0.00076 0.00000 -0.00004 90 5PZ 0.00000 -0.00113 0.00156 0.00000 -0.00011 91 7 H 1S 0.01654 -0.00955 0.01431 -0.02478 -0.00381 92 2S 0.00456 -0.00263 0.00405 -0.00702 -0.00207 93 3S -0.00038 0.00022 -0.00041 0.00071 -0.00005 94 4PX 0.00058 -0.00047 0.00072 -0.00088 -0.00021 95 4PY -0.00047 0.00004 -0.00005 0.00072 0.00012 96 4PZ 0.00040 -0.00023 0.00034 -0.00059 0.00005 97 5PX -0.00045 0.00024 -0.00025 0.00062 -0.00004 98 5PY 0.00024 -0.00018 0.00033 -0.00025 0.00002 99 5PZ -0.00098 0.00056 -0.00078 0.00135 -0.00011 100 8 H 1S -0.01654 -0.00955 0.01431 0.02478 -0.00381 101 2S -0.00456 -0.00263 0.00405 0.00702 -0.00207 102 3S 0.00038 0.00022 -0.00041 -0.00071 -0.00005 103 4PX 0.00058 0.00047 -0.00072 -0.00088 0.00021 104 4PY 0.00047 0.00004 -0.00005 -0.00072 0.00012 105 4PZ -0.00040 -0.00023 0.00034 0.00059 0.00005 106 5PX -0.00045 -0.00024 0.00025 0.00062 0.00004 107 5PY -0.00024 -0.00018 0.00033 0.00025 0.00002 108 5PZ 0.00098 0.00056 -0.00078 -0.00135 -0.00011 51 52 53 54 55 51 11D+1 0.00089 52 11D-1 0.00000 0.00089 53 11D+2 0.00000 0.00060 0.00291 54 11D-2 0.00060 0.00000 0.00000 0.00291 55 3 H 1S 0.00000 -0.00965 0.00158 0.00000 0.17919 56 2S 0.00000 -0.00261 0.00102 0.00000 0.05814 57 3S 0.00000 0.00018 -0.00046 0.00000 -0.00082 58 4PX -0.00012 0.00000 0.00000 0.00003 0.00000 59 4PY 0.00000 0.00043 -0.00009 0.00000 -0.00983 60 4PZ 0.00000 0.00024 -0.00001 0.00000 -0.00396 61 5PX 0.00002 0.00000 0.00000 0.00035 0.00000 62 5PY 0.00000 -0.00033 -0.00028 0.00000 0.00287 63 5PZ 0.00000 -0.00061 -0.00027 0.00000 0.00629 64 4 H 1S 0.00836 0.00482 -0.00079 -0.00137 -0.01882 65 2S 0.00226 0.00130 -0.00051 -0.00088 0.00188 66 3S -0.00015 -0.00009 0.00023 0.00040 0.00498 67 4PX 0.00029 0.00024 -0.00005 -0.00006 0.00005 68 4PY 0.00024 0.00002 0.00000 -0.00005 0.00169 69 4PZ -0.00020 -0.00012 0.00001 0.00001 0.00076 70 5PX -0.00024 -0.00015 -0.00027 -0.00012 0.00159 71 5PY -0.00015 -0.00007 0.00019 -0.00027 0.00186 72 5PZ 0.00052 0.00030 0.00013 0.00023 -0.00435 73 5 H 1S -0.00836 0.00482 -0.00079 0.00137 -0.01882 74 2S -0.00226 0.00130 -0.00051 0.00088 0.00188 75 3S 0.00015 -0.00009 0.00023 -0.00040 0.00498 76 4PX 0.00029 -0.00024 0.00005 -0.00006 -0.00005 77 4PY -0.00024 0.00002 0.00000 0.00005 0.00169 78 4PZ 0.00020 -0.00012 0.00001 -0.00001 0.00076 79 5PX -0.00024 0.00015 0.00027 -0.00012 -0.00159 80 5PY 0.00015 -0.00007 0.00019 0.00027 0.00186 81 5PZ -0.00052 0.00030 0.00013 -0.00023 -0.00435 82 6 H 1S 0.00000 -0.00541 -0.01939 0.00000 0.01131 83 2S 0.00000 -0.00128 -0.00559 0.00000 0.00139 84 3S 0.00000 -0.00005 0.00063 0.00000 0.00095 85 4PX 0.00006 0.00000 0.00000 0.00025 0.00000 86 4PY 0.00000 -0.00023 -0.00088 0.00000 0.00034 87 4PZ 0.00000 -0.00014 -0.00046 0.00000 0.00012 88 5PX -0.00012 0.00000 0.00000 0.00019 0.00000 89 5PY 0.00000 0.00029 0.00046 0.00000 -0.00242 90 5PZ 0.00000 0.00046 0.00099 0.00000 -0.00360 91 7 H 1S -0.00468 0.00270 0.00970 -0.01680 -0.00024 92 2S -0.00111 0.00064 0.00280 -0.00484 0.00387 93 3S -0.00004 0.00002 -0.00031 0.00054 -0.00296 94 4PX -0.00016 0.00013 0.00049 -0.00060 0.00003 95 4PY 0.00013 -0.00001 -0.00003 0.00049 -0.00002 96 4PZ -0.00012 0.00007 0.00023 -0.00040 -0.00043 97 5PX 0.00018 -0.00018 -0.00012 0.00039 0.00195 98 5PY -0.00018 -0.00002 0.00025 -0.00012 0.00111 99 5PZ 0.00040 -0.00023 -0.00050 0.00086 0.00059 100 8 H 1S 0.00468 0.00270 0.00970 0.01680 -0.00024 101 2S 0.00111 0.00064 0.00280 0.00484 0.00387 102 3S 0.00004 0.00002 -0.00031 -0.00054 -0.00296 103 4PX -0.00016 -0.00013 -0.00049 -0.00060 -0.00003 104 4PY -0.00013 -0.00001 -0.00003 -0.00049 -0.00002 105 4PZ 0.00012 0.00007 0.00023 0.00040 -0.00043 106 5PX 0.00018 0.00018 0.00012 0.00039 -0.00195 107 5PY 0.00018 -0.00002 0.00025 0.00012 0.00111 108 5PZ -0.00040 -0.00023 -0.00050 -0.00086 0.00059 56 57 58 59 60 56 2S 0.02059 57 3S -0.00009 0.00056 58 4PX 0.00000 0.00000 0.00002 59 4PY -0.00328 -0.00011 0.00000 0.00060 60 4PZ -0.00107 -0.00004 0.00000 0.00023 0.00013 61 5PX 0.00000 0.00000 0.00001 0.00000 0.00000 62 5PY 0.00059 -0.00011 0.00000 -0.00011 -0.00008 63 5PZ 0.00153 -0.00022 0.00000 -0.00026 -0.00017 64 4 H 1S 0.00188 0.00498 -0.00144 -0.00089 0.00076 65 2S 0.00433 0.00165 -0.00041 -0.00075 0.00026 66 3S 0.00165 0.00029 0.00004 -0.00038 -0.00017 67 4PX 0.00044 0.00035 -0.00005 -0.00014 0.00000 68 4PY 0.00073 0.00015 -0.00004 -0.00015 -0.00004 69 4PZ 0.00026 -0.00017 0.00003 0.00002 0.00002 70 5PX 0.00049 0.00004 0.00003 -0.00009 -0.00003 71 5PY 0.00062 -0.00005 0.00001 -0.00009 -0.00004 72 5PZ -0.00138 0.00002 -0.00008 0.00022 0.00009 73 5 H 1S 0.00188 0.00498 0.00144 -0.00089 0.00076 74 2S 0.00433 0.00165 0.00041 -0.00075 0.00026 75 3S 0.00165 0.00029 -0.00004 -0.00038 -0.00017 76 4PX -0.00044 -0.00035 -0.00005 0.00014 0.00000 77 4PY 0.00073 0.00015 0.00004 -0.00015 -0.00004 78 4PZ 0.00026 -0.00017 -0.00003 0.00002 0.00002 79 5PX -0.00049 -0.00004 0.00003 0.00009 0.00003 80 5PY 0.00062 -0.00005 -0.00001 -0.00009 -0.00004 81 5PZ -0.00138 0.00002 0.00008 0.00022 0.00009 82 6 H 1S 0.00139 0.00095 0.00000 -0.00034 -0.00012 83 2S 0.00103 -0.00002 0.00000 0.00003 0.00023 84 3S -0.00002 -0.00032 0.00000 -0.00001 -0.00007 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY -0.00003 0.00001 0.00000 -0.00001 -0.00001 87 4PZ -0.00023 0.00007 0.00000 -0.00001 -0.00005 88 5PX 0.00000 0.00000 0.00003 0.00000 0.00000 89 5PY -0.00056 -0.00004 0.00000 0.00011 0.00007 90 5PZ -0.00084 -0.00018 0.00000 0.00020 0.00012 91 7 H 1S 0.00387 -0.00296 0.00001 -0.00004 0.00043 92 2S 0.00339 -0.00130 -0.00004 -0.00014 0.00025 93 3S -0.00130 -0.00007 0.00003 0.00017 0.00002 94 4PX 0.00014 -0.00017 0.00000 -0.00001 0.00001 95 4PY -0.00004 0.00006 0.00000 0.00000 0.00000 96 4PZ -0.00025 -0.00002 0.00000 0.00001 -0.00003 97 5PX 0.00055 -0.00007 -0.00001 -0.00008 -0.00004 98 5PY 0.00035 -0.00005 0.00002 -0.00006 -0.00003 99 5PZ 0.00006 -0.00008 -0.00003 0.00002 0.00000 100 8 H 1S 0.00387 -0.00296 -0.00001 -0.00004 0.00043 101 2S 0.00339 -0.00130 0.00004 -0.00014 0.00025 102 3S -0.00130 -0.00007 -0.00003 0.00017 0.00002 103 4PX -0.00014 0.00017 0.00000 0.00001 -0.00001 104 4PY -0.00004 0.00006 0.00000 0.00000 0.00000 105 4PZ -0.00025 -0.00002 0.00000 0.00001 -0.00003 106 5PX -0.00055 0.00007 -0.00001 0.00008 0.00004 107 5PY 0.00035 -0.00005 -0.00002 -0.00006 -0.00003 108 5PZ 0.00006 -0.00008 0.00003 0.00002 0.00000 61 62 63 64 65 61 5PX 0.00005 62 5PY 0.00000 0.00016 63 5PZ 0.00000 0.00024 0.00047 64 4 H 1S -0.00081 -0.00231 -0.00435 0.17919 65 2S -0.00029 -0.00074 -0.00138 0.05814 0.02059 66 3S 0.00006 -0.00001 0.00002 -0.00082 -0.00009 67 4PX -0.00003 -0.00013 -0.00023 0.00851 0.00284 68 4PY -0.00002 -0.00003 -0.00004 0.00491 0.00164 69 4PZ 0.00002 0.00005 0.00009 -0.00396 -0.00107 70 5PX 0.00000 0.00005 0.00008 -0.00249 -0.00051 71 5PY -0.00003 0.00001 0.00006 -0.00144 -0.00030 72 5PZ -0.00001 -0.00010 -0.00017 0.00629 0.00153 73 5 H 1S 0.00081 -0.00231 -0.00435 -0.01882 0.00188 74 2S 0.00029 -0.00074 -0.00138 0.00188 0.00433 75 3S -0.00006 -0.00001 0.00002 0.00498 0.00165 76 4PX -0.00003 0.00013 0.00023 -0.00149 -0.00085 77 4PY 0.00002 -0.00003 -0.00004 -0.00080 0.00002 78 4PZ -0.00002 0.00005 0.00009 0.00076 0.00026 79 5PX 0.00000 -0.00005 -0.00008 -0.00240 -0.00078 80 5PY 0.00003 0.00001 0.00006 0.00045 0.00011 81 5PZ 0.00001 -0.00010 -0.00017 -0.00435 -0.00138 82 6 H 1S 0.00000 0.00242 0.00360 -0.00024 0.00387 83 2S 0.00000 0.00056 0.00084 0.00387 0.00339 84 3S 0.00000 0.00004 0.00018 -0.00296 -0.00130 85 4PX 0.00003 0.00000 0.00000 0.00001 -0.00004 86 4PY 0.00000 0.00011 0.00020 0.00004 0.00014 87 4PZ 0.00000 0.00007 0.00012 -0.00043 -0.00025 88 5PX 0.00004 0.00000 0.00000 -0.00193 -0.00058 89 5PY 0.00000 -0.00011 -0.00018 0.00113 0.00031 90 5PZ 0.00000 -0.00018 -0.00025 0.00059 0.00006 91 7 H 1S -0.00193 -0.00113 -0.00059 -0.00024 0.00387 92 2S -0.00058 -0.00031 -0.00006 0.00387 0.00339 93 3S 0.00008 0.00004 0.00008 -0.00296 -0.00130 94 4PX -0.00007 -0.00005 0.00001 0.00003 0.00010 95 4PY 0.00006 0.00000 -0.00003 -0.00001 -0.00011 96 4PZ -0.00004 -0.00002 0.00000 -0.00043 -0.00025 97 5PX 0.00004 0.00007 0.00013 0.00001 -0.00002 98 5PY 0.00000 0.00000 0.00003 -0.00224 -0.00065 99 5PZ 0.00009 0.00010 0.00016 0.00059 0.00006 100 8 H 1S 0.00193 -0.00113 -0.00059 0.01131 0.00139 101 2S 0.00058 -0.00031 -0.00006 0.00139 0.00103 102 3S -0.00008 0.00004 0.00008 0.00095 -0.00002 103 4PX -0.00007 0.00005 -0.00001 -0.00029 0.00003 104 4PY -0.00006 0.00000 -0.00003 -0.00017 0.00002 105 4PZ 0.00004 -0.00002 0.00000 0.00012 -0.00023 106 5PX 0.00004 -0.00007 -0.00013 0.00210 0.00049 107 5PY 0.00000 0.00000 0.00003 0.00121 0.00028 108 5PZ -0.00009 0.00010 0.00016 -0.00360 -0.00084 66 67 68 69 70 66 3S 0.00056 67 4PX 0.00010 0.00046 68 4PY 0.00006 0.00025 0.00017 69 4PZ -0.00004 -0.00020 -0.00012 0.00013 70 5PX 0.00009 -0.00008 -0.00005 0.00007 0.00013 71 5PY 0.00005 -0.00005 -0.00002 0.00004 0.00005 72 5PZ -0.00022 0.00023 0.00013 -0.00017 -0.00021 73 5 H 1S 0.00498 0.00149 -0.00080 0.00076 0.00240 74 2S 0.00165 0.00085 0.00002 0.00026 0.00078 75 3S 0.00029 0.00031 0.00023 -0.00017 -0.00002 76 4PX -0.00031 -0.00021 -0.00005 0.00004 -0.00009 77 4PY 0.00023 0.00005 0.00000 0.00002 0.00009 78 4PZ -0.00017 -0.00004 0.00002 0.00002 -0.00005 79 5PX 0.00002 -0.00009 -0.00009 0.00005 0.00002 80 5PY 0.00006 0.00001 0.00004 -0.00001 -0.00004 81 5PZ 0.00002 -0.00015 -0.00017 0.00009 0.00009 82 6 H 1S -0.00296 0.00003 0.00002 0.00043 0.00195 83 2S -0.00130 0.00014 0.00004 0.00025 0.00055 84 3S -0.00007 -0.00017 -0.00006 0.00002 -0.00007 85 4PX 0.00003 0.00000 0.00000 0.00000 -0.00001 86 4PY -0.00017 0.00001 0.00000 0.00001 0.00008 87 4PZ -0.00002 -0.00001 0.00000 -0.00003 0.00004 88 5PX 0.00008 -0.00007 -0.00006 0.00004 0.00004 89 5PY -0.00004 0.00005 0.00000 -0.00002 -0.00007 90 5PZ -0.00008 -0.00001 -0.00003 0.00000 -0.00013 91 7 H 1S -0.00296 0.00003 0.00001 0.00043 0.00001 92 2S -0.00130 0.00010 0.00011 0.00025 -0.00002 93 3S -0.00007 -0.00014 -0.00011 0.00002 0.00000 94 4PX -0.00014 0.00001 0.00001 0.00000 -0.00002 95 4PY 0.00011 -0.00001 0.00000 0.00000 -0.00002 96 4PZ -0.00002 0.00000 0.00000 -0.00003 0.00000 97 5PX 0.00000 -0.00002 0.00002 0.00000 -0.00002 98 5PY 0.00008 -0.00008 -0.00005 0.00005 0.00003 99 5PZ -0.00008 -0.00003 0.00001 0.00000 -0.00004 100 8 H 1S 0.00095 0.00029 0.00017 -0.00012 -0.00210 101 2S -0.00002 -0.00003 -0.00002 0.00023 -0.00049 102 3S -0.00032 0.00001 0.00000 -0.00007 -0.00004 103 4PX -0.00001 -0.00001 -0.00001 0.00001 0.00009 104 4PY 0.00000 -0.00001 0.00000 0.00001 0.00004 105 4PZ 0.00007 0.00001 0.00001 -0.00005 -0.00006 106 5PX 0.00004 0.00009 0.00004 -0.00006 -0.00008 107 5PY 0.00002 0.00004 0.00005 -0.00004 -0.00006 108 5PZ -0.00018 -0.00017 -0.00010 0.00012 0.00016 71 72 73 74 75 71 5PY 0.00008 72 5PZ -0.00012 0.00047 73 5 H 1S 0.00045 -0.00435 0.17919 74 2S 0.00011 -0.00138 0.05814 0.02059 75 3S 0.00006 0.00002 -0.00082 -0.00009 0.00056 76 4PX -0.00001 0.00015 -0.00851 -0.00284 -0.00010 77 4PY 0.00004 -0.00017 0.00491 0.00164 0.00006 78 4PZ -0.00001 0.00009 -0.00396 -0.00107 -0.00004 79 5PX 0.00004 -0.00009 0.00249 0.00051 -0.00009 80 5PY -0.00001 0.00004 -0.00144 -0.00030 0.00005 81 5PZ 0.00004 -0.00017 0.00629 0.00153 -0.00022 82 6 H 1S -0.00111 -0.00059 -0.00024 0.00387 -0.00296 83 2S -0.00035 -0.00006 0.00387 0.00339 -0.00130 84 3S 0.00005 0.00008 -0.00296 -0.00130 -0.00007 85 4PX -0.00002 0.00003 -0.00001 0.00004 -0.00003 86 4PY -0.00006 0.00002 0.00004 0.00014 -0.00017 87 4PZ -0.00003 0.00000 -0.00043 -0.00025 -0.00002 88 5PX 0.00000 -0.00009 0.00193 0.00058 -0.00008 89 5PY 0.00000 0.00010 0.00113 0.00031 -0.00004 90 5PZ 0.00003 0.00016 0.00059 0.00006 -0.00008 91 7 H 1S 0.00224 -0.00059 0.01131 0.00139 0.00095 92 2S 0.00065 -0.00006 0.00139 0.00103 -0.00002 93 3S -0.00008 0.00008 0.00095 -0.00002 -0.00032 94 4PX 0.00008 0.00003 0.00029 -0.00003 0.00001 95 4PY -0.00005 0.00001 -0.00017 0.00002 0.00000 96 4PZ 0.00005 0.00000 0.00012 -0.00023 0.00007 97 5PX -0.00003 0.00004 -0.00210 -0.00049 -0.00004 98 5PY 0.00006 -0.00012 0.00121 0.00028 0.00002 99 5PZ -0.00012 0.00016 -0.00360 -0.00084 -0.00018 100 8 H 1S -0.00121 0.00360 -0.00024 0.00387 -0.00296 101 2S -0.00028 0.00084 0.00387 0.00339 -0.00130 102 3S -0.00002 0.00018 -0.00296 -0.00130 -0.00007 103 4PX 0.00004 -0.00017 -0.00003 -0.00010 0.00014 104 4PY 0.00005 -0.00010 -0.00001 -0.00011 0.00011 105 4PZ -0.00004 0.00012 -0.00043 -0.00025 -0.00002 106 5PX -0.00006 0.00016 -0.00001 0.00002 0.00000 107 5PY 0.00000 0.00009 -0.00224 -0.00065 0.00008 108 5PZ 0.00009 -0.00025 0.00059 0.00006 -0.00008 76 77 78 79 80 76 4PX 0.00046 77 4PY -0.00025 0.00017 78 4PZ 0.00020 -0.00012 0.00013 79 5PX -0.00008 0.00005 -0.00007 0.00013 80 5PY 0.00005 -0.00002 0.00004 -0.00005 0.00008 81 5PZ -0.00023 0.00013 -0.00017 0.00021 -0.00012 82 6 H 1S -0.00003 0.00002 0.00043 -0.00195 -0.00111 83 2S -0.00014 0.00004 0.00025 -0.00055 -0.00035 84 3S 0.00017 -0.00006 0.00002 0.00007 0.00005 85 4PX 0.00000 0.00000 0.00000 -0.00001 0.00002 86 4PY -0.00001 0.00000 0.00001 -0.00008 -0.00006 87 4PZ 0.00001 0.00000 -0.00003 -0.00004 -0.00003 88 5PX -0.00007 0.00006 -0.00004 0.00004 0.00000 89 5PY -0.00005 0.00000 -0.00002 0.00007 0.00000 90 5PZ 0.00001 -0.00003 0.00000 0.00013 0.00003 91 7 H 1S -0.00029 0.00017 -0.00012 0.00210 -0.00121 92 2S 0.00003 -0.00002 0.00023 0.00049 -0.00028 93 3S -0.00001 0.00000 -0.00007 0.00004 -0.00002 94 4PX -0.00001 0.00001 -0.00001 0.00009 -0.00004 95 4PY 0.00001 0.00000 0.00001 -0.00004 0.00005 96 4PZ -0.00001 0.00001 -0.00005 0.00006 -0.00004 97 5PX 0.00009 -0.00004 0.00006 -0.00008 0.00006 98 5PY -0.00004 0.00005 -0.00004 0.00006 0.00000 99 5PZ 0.00017 -0.00010 0.00012 -0.00016 0.00009 100 8 H 1S -0.00003 0.00001 0.00043 -0.00001 0.00224 101 2S -0.00010 0.00011 0.00025 0.00002 0.00065 102 3S 0.00014 -0.00011 0.00002 0.00000 -0.00008 103 4PX 0.00001 -0.00001 0.00000 -0.00002 -0.00008 104 4PY 0.00001 0.00000 0.00000 0.00002 -0.00005 105 4PZ 0.00000 0.00000 -0.00003 0.00000 0.00005 106 5PX -0.00002 -0.00002 0.00000 -0.00002 0.00003 107 5PY 0.00008 -0.00005 0.00005 -0.00003 0.00006 108 5PZ 0.00003 0.00001 0.00000 0.00004 -0.00012 81 82 83 84 85 81 5PZ 0.00047 82 6 H 1S -0.00059 0.17919 83 2S -0.00006 0.05814 0.02059 84 3S 0.00008 -0.00082 -0.00009 0.00056 85 4PX -0.00003 0.00000 0.00000 0.00000 0.00002 86 4PY 0.00002 0.00983 0.00328 0.00011 0.00000 87 4PZ 0.00000 0.00396 0.00107 0.00004 0.00000 88 5PX 0.00009 0.00000 0.00000 0.00000 0.00001 89 5PY 0.00010 -0.00287 -0.00059 0.00011 0.00000 90 5PZ 0.00016 -0.00629 -0.00153 0.00022 0.00000 91 7 H 1S 0.00360 -0.01882 0.00188 0.00498 -0.00144 92 2S 0.00084 0.00188 0.00433 0.00165 -0.00041 93 3S 0.00018 0.00498 0.00165 0.00029 0.00004 94 4PX 0.00017 0.00005 0.00044 0.00035 -0.00005 95 4PY -0.00010 -0.00169 -0.00073 -0.00015 0.00004 96 4PZ 0.00012 -0.00076 -0.00026 0.00017 -0.00003 97 5PX -0.00016 0.00159 0.00049 0.00004 0.00003 98 5PY 0.00009 -0.00186 -0.00062 0.00005 -0.00001 99 5PZ -0.00025 0.00435 0.00138 -0.00002 0.00008 100 8 H 1S -0.00059 -0.01882 0.00188 0.00498 0.00144 101 2S -0.00006 0.00188 0.00433 0.00165 0.00041 102 3S 0.00008 0.00498 0.00165 0.00029 -0.00004 103 4PX -0.00003 -0.00005 -0.00044 -0.00035 -0.00005 104 4PY 0.00001 -0.00169 -0.00073 -0.00015 -0.00004 105 4PZ 0.00000 -0.00076 -0.00026 0.00017 0.00003 106 5PX -0.00004 -0.00159 -0.00049 -0.00004 0.00003 107 5PY -0.00012 -0.00186 -0.00062 0.00005 0.00001 108 5PZ 0.00016 0.00435 0.00138 -0.00002 -0.00008 86 87 88 89 90 86 4PY 0.00060 87 4PZ 0.00023 0.00013 88 5PX 0.00000 0.00000 0.00005 89 5PY -0.00011 -0.00008 0.00000 0.00016 90 5PZ -0.00026 -0.00017 0.00000 0.00024 0.00047 91 7 H 1S 0.00089 -0.00076 -0.00081 0.00231 0.00435 92 2S 0.00075 -0.00026 -0.00029 0.00074 0.00138 93 3S 0.00038 0.00017 0.00006 0.00001 -0.00002 94 4PX 0.00014 0.00000 -0.00003 0.00013 0.00023 95 4PY -0.00015 -0.00004 0.00002 -0.00003 -0.00004 96 4PZ 0.00002 0.00002 -0.00002 0.00005 0.00009 97 5PX 0.00009 0.00003 0.00000 -0.00005 -0.00008 98 5PY -0.00009 -0.00004 0.00003 0.00001 0.00006 99 5PZ 0.00022 0.00009 0.00001 -0.00010 -0.00017 100 8 H 1S 0.00089 -0.00076 0.00081 0.00231 0.00435 101 2S 0.00075 -0.00026 0.00029 0.00074 0.00138 102 3S 0.00038 0.00017 -0.00006 0.00001 -0.00002 103 4PX -0.00014 0.00000 -0.00003 -0.00013 -0.00023 104 4PY -0.00015 -0.00004 -0.00002 -0.00003 -0.00004 105 4PZ 0.00002 0.00002 0.00002 0.00005 0.00009 106 5PX -0.00009 -0.00003 0.00000 0.00005 0.00008 107 5PY -0.00009 -0.00004 -0.00003 0.00001 0.00006 108 5PZ 0.00022 0.00009 -0.00001 -0.00010 -0.00017 91 92 93 94 95 91 7 H 1S 0.17919 92 2S 0.05814 0.02059 93 3S -0.00082 -0.00009 0.00056 94 4PX 0.00851 0.00284 0.00010 0.00046 95 4PY -0.00491 -0.00164 -0.00006 -0.00025 0.00017 96 4PZ 0.00396 0.00107 0.00004 0.00020 -0.00012 97 5PX -0.00249 -0.00051 0.00009 -0.00008 0.00005 98 5PY 0.00144 0.00030 -0.00005 0.00005 -0.00002 99 5PZ -0.00629 -0.00153 0.00022 -0.00023 0.00013 100 8 H 1S -0.01882 0.00188 0.00498 0.00149 0.00080 101 2S 0.00188 0.00433 0.00165 0.00085 -0.00002 102 3S 0.00498 0.00165 0.00029 0.00031 -0.00023 103 4PX -0.00149 -0.00085 -0.00031 -0.00021 0.00005 104 4PY 0.00080 -0.00002 -0.00023 -0.00005 0.00000 105 4PZ -0.00076 -0.00026 0.00017 0.00004 0.00002 106 5PX -0.00240 -0.00078 0.00002 -0.00009 0.00009 107 5PY -0.00045 -0.00011 -0.00006 -0.00001 0.00004 108 5PZ 0.00435 0.00138 -0.00002 0.00015 -0.00017 96 97 98 99 100 96 4PZ 0.00013 97 5PX -0.00007 0.00013 98 5PY 0.00004 -0.00005 0.00008 99 5PZ -0.00017 0.00021 -0.00012 0.00047 100 8 H 1S -0.00076 0.00240 -0.00045 0.00435 0.17919 101 2S -0.00026 0.00078 -0.00011 0.00138 0.05814 102 3S 0.00017 -0.00002 -0.00006 -0.00002 -0.00082 103 4PX -0.00004 -0.00009 0.00001 -0.00015 -0.00851 104 4PY 0.00002 -0.00009 0.00004 -0.00017 -0.00491 105 4PZ 0.00002 0.00005 -0.00001 0.00009 0.00396 106 5PX -0.00005 0.00002 -0.00004 0.00009 0.00249 107 5PY -0.00001 0.00004 -0.00001 0.00004 0.00144 108 5PZ 0.00009 -0.00009 0.00004 -0.00017 -0.00629 101 102 103 104 105 101 2S 0.02059 102 3S -0.00009 0.00056 103 4PX -0.00284 -0.00010 0.00046 104 4PY -0.00164 -0.00006 0.00025 0.00017 105 4PZ 0.00107 0.00004 -0.00020 -0.00012 0.00013 106 5PX 0.00051 -0.00009 -0.00008 -0.00005 0.00007 107 5PY 0.00030 -0.00005 -0.00005 -0.00002 0.00004 108 5PZ -0.00153 0.00022 0.00023 0.00013 -0.00017 106 107 108 106 5PX 0.00013 107 5PY 0.00005 0.00008 108 5PZ -0.00021 -0.00012 0.00047 Full Mulliken population analysis: 1 2 3 4 5 1 1 Si 1S 2.14960 2 2S -0.15084 2.24271 3 3S -0.00077 -0.01910 0.34377 4 4S 0.00146 -0.04761 0.15388 0.11035 5 5S -0.00024 0.00785 -0.03833 -0.03065 0.01869 6 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 7 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 10 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 13 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000 19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 Si 1S 0.00000 0.00000 0.00000 0.00001 -0.00002 29 2S 0.00000 0.00000 -0.00022 -0.00022 0.00110 30 3S 0.00000 -0.00022 0.00331 0.01375 0.00655 31 4S 0.00001 -0.00022 0.01375 0.02117 0.00000 32 5S -0.00002 0.00110 0.00655 0.00000 -0.00657 33 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 34 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 6PZ 0.00000 0.00000 -0.00043 -0.00090 0.00035 36 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 37 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 38 7PZ 0.00002 -0.00087 0.01802 0.01835 -0.00428 39 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 40 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 41 8PZ 0.00004 -0.00031 0.04118 0.03264 -0.01048 42 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 44 9PZ -0.00001 0.00050 -0.00055 -0.00091 0.00028 45 10D 0 0.00002 -0.00086 0.00821 0.00405 -0.00041 46 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 11D 0 -0.00003 0.00139 0.00436 0.00219 -0.00048 51 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 H 1S 0.00006 -0.00251 0.03655 0.02000 -0.00704 56 2S 0.00014 -0.00418 0.02356 0.01152 -0.00548 57 3S 0.00005 -0.00179 0.00595 0.00530 -0.00325 58 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 59 4PY 0.00001 -0.00034 0.00309 0.00086 -0.00011 60 4PZ 0.00000 -0.00006 0.00050 0.00017 -0.00002 61 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 5PY 0.00004 -0.00100 0.00076 0.00029 -0.00007 63 5PZ 0.00000 0.00004 0.00035 0.00001 -0.00005 64 4 H 1S 0.00006 -0.00251 0.03655 0.02000 -0.00704 65 2S 0.00014 -0.00418 0.02356 0.01152 -0.00548 66 3S 0.00005 -0.00179 0.00595 0.00530 -0.00325 67 4PX 0.00000 -0.00025 0.00232 0.00065 -0.00008 68 4PY 0.00000 -0.00008 0.00077 0.00022 -0.00003 69 4PZ 0.00000 -0.00006 0.00050 0.00017 -0.00002 70 5PX 0.00003 -0.00075 0.00057 0.00021 -0.00006 71 5PY 0.00001 -0.00025 0.00019 0.00007 -0.00002 72 5PZ 0.00000 0.00004 0.00035 0.00001 -0.00005 73 5 H 1S 0.00006 -0.00251 0.03655 0.02000 -0.00704 74 2S 0.00014 -0.00418 0.02356 0.01152 -0.00548 75 3S 0.00005 -0.00179 0.00595 0.00530 -0.00325 76 4PX 0.00000 -0.00025 0.00232 0.00065 -0.00008 77 4PY 0.00000 -0.00008 0.00077 0.00022 -0.00003 78 4PZ 0.00000 -0.00006 0.00050 0.00017 -0.00002 79 5PX 0.00003 -0.00075 0.00057 0.00021 -0.00006 80 5PY 0.00001 -0.00025 0.00019 0.00007 -0.00002 81 5PZ 0.00000 0.00004 0.00035 0.00001 -0.00005 82 6 H 1S 0.00000 0.00000 -0.00006 -0.00019 0.00225 83 2S 0.00000 0.00008 -0.00092 -0.00144 0.00308 84 3S 0.00000 0.00002 -0.00057 0.00010 0.00093 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY 0.00000 0.00000 0.00000 0.00001 0.00002 87 4PZ 0.00000 0.00000 0.00000 0.00005 0.00000 88 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 5PY 0.00000 0.00001 -0.00004 -0.00006 0.00004 90 5PZ 0.00000 0.00002 -0.00046 -0.00047 0.00024 91 7 H 1S 0.00000 0.00000 -0.00006 -0.00019 0.00225 92 2S 0.00000 0.00008 -0.00092 -0.00144 0.00308 93 3S 0.00000 0.00002 -0.00057 0.00010 0.00093 94 4PX 0.00000 0.00000 0.00000 0.00001 0.00002 95 4PY 0.00000 0.00000 0.00000 0.00000 0.00001 96 4PZ 0.00000 0.00000 0.00000 0.00005 0.00000 97 5PX 0.00000 0.00001 -0.00003 -0.00005 0.00003 98 5PY 0.00000 0.00000 -0.00001 -0.00002 0.00001 99 5PZ 0.00000 0.00002 -0.00046 -0.00047 0.00024 100 8 H 1S 0.00000 0.00000 -0.00006 -0.00019 0.00225 101 2S 0.00000 0.00008 -0.00092 -0.00144 0.00308 102 3S 0.00000 0.00002 -0.00057 0.00010 0.00093 103 4PX 0.00000 0.00000 0.00000 0.00001 0.00002 104 4PY 0.00000 0.00000 0.00000 0.00000 0.00001 105 4PZ 0.00000 0.00000 0.00000 0.00005 0.00000 106 5PX 0.00000 0.00001 -0.00003 -0.00005 0.00003 107 5PY 0.00000 0.00000 -0.00001 -0.00002 0.00001 108 5PZ 0.00000 0.00002 -0.00046 -0.00047 0.00024 6 7 8 9 10 6 6PX 2.02754 7 6PY 0.00000 2.02754 8 6PZ 0.00000 0.00000 2.02867 9 7PX -0.01893 0.00000 0.00000 0.22279 10 7PY 0.00000 -0.01893 0.00000 0.00000 0.22279 11 7PZ 0.00000 0.00000 -0.02069 0.00000 0.00000 12 8PX -0.00737 0.00000 0.00000 0.12613 0.00000 13 8PY 0.00000 -0.00737 0.00000 0.00000 0.12613 14 8PZ 0.00000 0.00000 -0.00688 0.00000 0.00000 15 9PX 0.00000 0.00000 0.00000 0.00110 0.00000 16 9PY 0.00000 0.00000 0.00000 0.00000 0.00110 17 9PZ 0.00000 0.00000 0.00004 0.00000 0.00000 18 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000 19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 Si 1S 0.00000 0.00000 0.00000 0.00000 0.00000 29 2S 0.00000 0.00000 0.00000 0.00000 0.00000 30 3S 0.00000 0.00000 -0.00043 0.00000 0.00000 31 4S 0.00000 0.00000 -0.00090 0.00000 0.00000 32 5S 0.00000 0.00000 0.00035 0.00000 0.00000 33 6PX 0.00000 0.00000 0.00000 -0.00001 0.00000 34 6PY 0.00000 0.00000 0.00000 0.00000 -0.00001 35 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 7PX -0.00001 0.00000 0.00000 0.00042 0.00000 37 7PY 0.00000 -0.00001 0.00000 0.00000 0.00042 38 7PZ 0.00000 0.00000 -0.00159 0.00000 0.00000 39 8PX 0.00034 0.00000 0.00000 -0.00643 0.00000 40 8PY 0.00000 0.00034 0.00000 0.00000 -0.00643 41 8PZ 0.00000 0.00000 -0.00188 0.00000 0.00000 42 9PX 0.00001 0.00000 0.00000 0.00001 0.00000 43 9PY 0.00000 0.00001 0.00000 0.00000 0.00001 44 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 10D 0 0.00000 0.00000 -0.00091 0.00000 0.00000 46 10D+1 -0.00005 0.00000 0.00000 0.00148 0.00000 47 10D-1 0.00000 -0.00005 0.00000 0.00000 0.00148 48 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 11D 0 0.00000 0.00000 -0.00009 0.00000 0.00000 51 11D+1 0.00040 0.00000 0.00000 -0.00583 0.00000 52 11D-1 0.00000 0.00040 0.00000 0.00000 -0.00583 53 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 H 1S 0.00000 -0.00390 -0.00053 0.00000 0.08964 56 2S 0.00000 -0.00210 -0.00060 0.00000 0.02474 57 3S 0.00000 -0.00001 -0.00001 0.00000 -0.00067 58 4PX -0.00001 0.00000 0.00000 0.00045 0.00000 59 4PY 0.00000 -0.00019 -0.00005 0.00000 0.00311 60 4PZ 0.00000 -0.00005 0.00000 0.00000 0.00093 61 5PX -0.00013 0.00000 0.00000 0.00074 0.00000 62 5PY 0.00000 -0.00020 -0.00018 0.00000 -0.00081 63 5PZ 0.00000 0.00014 0.00012 0.00000 -0.00249 64 4 H 1S -0.00293 -0.00098 -0.00053 0.06723 0.02241 65 2S -0.00158 -0.00053 -0.00060 0.01855 0.00618 66 3S -0.00001 0.00000 -0.00001 -0.00050 -0.00017 67 4PX -0.00009 -0.00006 -0.00003 0.00132 0.00113 68 4PY -0.00006 0.00000 -0.00001 0.00113 -0.00002 69 4PZ -0.00004 -0.00001 0.00000 0.00069 0.00023 70 5PX -0.00005 -0.00013 -0.00014 0.00001 -0.00043 71 5PY -0.00013 -0.00002 -0.00005 -0.00043 0.00078 72 5PZ 0.00011 0.00004 0.00012 -0.00187 -0.00062 73 5 H 1S -0.00293 -0.00098 -0.00053 0.06723 0.02241 74 2S -0.00158 -0.00053 -0.00060 0.01855 0.00618 75 3S -0.00001 0.00000 -0.00001 -0.00050 -0.00017 76 4PX -0.00009 -0.00006 -0.00003 0.00132 0.00113 77 4PY -0.00006 0.00000 -0.00001 0.00113 -0.00002 78 4PZ -0.00004 -0.00001 0.00000 0.00069 0.00023 79 5PX -0.00005 -0.00013 -0.00014 0.00001 -0.00043 80 5PY -0.00013 -0.00002 -0.00005 -0.00043 0.00078 81 5PZ 0.00011 0.00004 0.00012 -0.00187 -0.00062 82 6 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00001 83 2S 0.00000 -0.00001 0.00007 0.00000 0.00019 84 3S 0.00000 0.00001 -0.00004 0.00000 -0.00021 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 5PX 0.00000 0.00000 0.00000 0.00011 0.00000 89 5PY 0.00000 0.00000 0.00001 0.00000 0.00003 90 5PZ 0.00000 -0.00001 0.00001 0.00000 0.00031 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00007 0.00014 0.00005 93 3S 0.00000 0.00000 -0.00004 -0.00016 -0.00005 94 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 95 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 96 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PX 0.00000 0.00000 0.00001 0.00000 0.00005 98 5PY 0.00000 0.00000 0.00000 0.00005 0.00004 99 5PZ -0.00001 0.00000 0.00001 0.00023 0.00008 100 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 101 2S 0.00000 0.00000 0.00007 0.00014 0.00005 102 3S 0.00000 0.00000 -0.00004 -0.00016 -0.00005 103 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 104 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 105 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 5PX 0.00000 0.00000 0.00001 0.00000 0.00005 107 5PY 0.00000 0.00000 0.00000 0.00005 0.00004 108 5PZ -0.00001 0.00000 0.00001 0.00023 0.00008 11 12 13 14 15 11 7PZ 0.24420 12 8PX 0.00000 0.18731 13 8PY 0.00000 0.00000 0.18731 14 8PZ 0.10446 0.00000 0.00000 0.11489 15 9PX 0.00000 0.00300 0.00000 0.00000 0.00013 16 9PY 0.00000 0.00000 0.00300 0.00000 0.00000 17 9PZ -0.00081 0.00000 0.00000 -0.00148 0.00000 18 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000 19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 Si 1S 0.00002 0.00000 0.00000 0.00004 0.00000 29 2S -0.00087 0.00000 0.00000 -0.00031 0.00000 30 3S 0.01802 0.00000 0.00000 0.04118 0.00000 31 4S 0.01835 0.00000 0.00000 0.03264 0.00000 32 5S -0.00428 0.00000 0.00000 -0.01048 0.00000 33 6PX 0.00000 0.00034 0.00000 0.00000 0.00001 34 6PY 0.00000 0.00000 0.00034 0.00000 0.00000 35 6PZ -0.00159 0.00000 0.00000 -0.00188 0.00000 36 7PX 0.00000 -0.00643 0.00000 0.00000 0.00001 37 7PY 0.00000 0.00000 -0.00643 0.00000 0.00000 38 7PZ 0.05318 0.00000 0.00000 0.03837 0.00000 39 8PX 0.00000 -0.03217 0.00000 0.00000 -0.00043 40 8PY 0.00000 0.00000 -0.03217 0.00000 0.00000 41 8PZ 0.03837 0.00000 0.00000 0.02592 0.00000 42 9PX 0.00000 -0.00043 0.00000 0.00000 0.00000 43 9PY 0.00000 0.00000 -0.00043 0.00000 0.00000 44 9PZ 0.00004 0.00000 0.00000 0.00026 0.00000 45 10D 0 0.01454 0.00000 0.00000 0.00229 0.00000 46 10D+1 0.00000 0.00343 0.00000 0.00000 0.00001 47 10D-1 0.00000 0.00000 0.00343 0.00000 0.00000 48 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 11D 0 0.00148 0.00000 0.00000 -0.00082 0.00000 51 11D+1 0.00000 -0.00992 0.00000 0.00000 -0.00011 52 11D-1 0.00000 0.00000 -0.00992 0.00000 0.00000 53 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 H 1S 0.01216 0.00000 0.09360 0.01046 0.00000 56 2S 0.00711 0.00000 0.03621 0.00839 0.00000 57 3S -0.00002 0.00000 -0.00149 0.00003 0.00000 58 4PX 0.00000 0.00045 0.00000 0.00000 0.00000 59 4PY 0.00081 0.00000 0.00013 0.00026 0.00000 60 4PZ 0.00020 0.00000 0.00035 0.00019 0.00000 61 5PX 0.00000 0.00052 0.00000 0.00000 0.00002 62 5PY 0.00025 0.00000 0.00098 0.00016 0.00000 63 5PZ -0.00081 0.00000 -0.00212 -0.00112 0.00000 64 4 H 1S 0.01216 0.07020 0.02340 0.01046 0.00077 65 2S 0.00711 0.02716 0.00905 0.00839 0.00047 66 3S -0.00002 -0.00112 -0.00037 0.00003 -0.00005 67 4PX 0.00061 -0.00021 0.00042 0.00020 -0.00001 68 4PY 0.00020 0.00042 -0.00005 0.00007 0.00000 69 4PZ 0.00020 0.00026 0.00009 0.00019 0.00000 70 5PX 0.00019 0.00134 -0.00047 0.00012 0.00004 71 5PY 0.00006 -0.00047 0.00111 0.00004 0.00000 72 5PZ -0.00081 -0.00159 -0.00053 -0.00112 -0.00001 73 5 H 1S 0.01216 0.07020 0.02340 0.01046 0.00077 74 2S 0.00711 0.02716 0.00905 0.00839 0.00047 75 3S -0.00002 -0.00112 -0.00037 0.00003 -0.00005 76 4PX 0.00061 -0.00021 0.00042 0.00020 -0.00001 77 4PY 0.00020 0.00042 -0.00005 0.00007 0.00000 78 4PZ 0.00020 0.00026 0.00009 0.00019 0.00000 79 5PX 0.00019 0.00134 -0.00047 0.00012 0.00004 80 5PY 0.00006 -0.00047 0.00111 0.00004 0.00000 81 5PZ -0.00081 -0.00159 -0.00053 -0.00112 -0.00001 82 6 H 1S -0.00016 0.00000 -0.00271 -0.00181 0.00000 83 2S -0.00206 0.00000 -0.00121 -0.00537 0.00000 84 3S 0.00050 0.00000 -0.00044 0.00133 0.00000 85 4PX 0.00000 -0.00001 0.00000 0.00000 0.00000 86 4PY 0.00000 0.00000 0.00000 0.00001 0.00000 87 4PZ 0.00001 0.00000 -0.00006 0.00016 0.00000 88 5PX 0.00000 0.00044 0.00000 0.00000 0.00002 89 5PY -0.00004 0.00000 -0.00016 -0.00009 0.00000 90 5PZ -0.00008 0.00000 0.00135 -0.00004 0.00000 91 7 H 1S -0.00016 -0.00203 -0.00068 -0.00181 -0.00001 92 2S -0.00206 -0.00091 -0.00030 -0.00537 0.00002 93 3S 0.00050 -0.00033 -0.00011 0.00133 -0.00003 94 4PX 0.00000 0.00000 -0.00001 0.00000 0.00000 95 4PY 0.00000 -0.00001 0.00000 0.00000 0.00000 96 4PZ 0.00001 -0.00005 -0.00002 0.00016 0.00000 97 5PX -0.00003 -0.00016 0.00015 -0.00007 -0.00001 98 5PY -0.00001 0.00015 0.00014 -0.00002 0.00000 99 5PZ -0.00008 0.00102 0.00034 -0.00004 0.00001 100 8 H 1S -0.00016 -0.00203 -0.00068 -0.00181 -0.00001 101 2S -0.00206 -0.00091 -0.00030 -0.00537 0.00002 102 3S 0.00050 -0.00033 -0.00011 0.00133 -0.00003 103 4PX 0.00000 0.00000 -0.00001 0.00000 0.00000 104 4PY 0.00000 -0.00001 0.00000 0.00000 0.00000 105 4PZ 0.00001 -0.00005 -0.00002 0.00016 0.00000 106 5PX -0.00003 -0.00016 0.00015 -0.00007 -0.00001 107 5PY -0.00001 0.00015 0.00014 -0.00002 0.00000 108 5PZ -0.00008 0.00102 0.00034 -0.00004 0.00001 16 17 18 19 20 16 9PY 0.00013 17 9PZ 0.00000 0.00010 18 10D 0 0.00000 0.00000 0.01438 19 10D+1 0.00000 0.00000 0.00000 0.00599 20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00599 21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 11D 0 0.00000 0.00000 0.00223 0.00000 0.00000 24 11D+1 0.00000 0.00000 0.00000 -0.00129 0.00000 25 11D-1 0.00000 0.00000 0.00000 0.00000 -0.00129 26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 Si 1S 0.00000 -0.00001 0.00002 0.00000 0.00000 29 2S 0.00000 0.00050 -0.00086 0.00000 0.00000 30 3S 0.00000 -0.00055 0.00821 0.00000 0.00000 31 4S 0.00000 -0.00091 0.00405 0.00000 0.00000 32 5S 0.00000 0.00028 -0.00041 0.00000 0.00000 33 6PX 0.00000 0.00000 0.00000 -0.00005 0.00000 34 6PY 0.00001 0.00000 0.00000 0.00000 -0.00005 35 6PZ 0.00000 0.00000 -0.00091 0.00000 0.00000 36 7PX 0.00000 0.00000 0.00000 0.00148 0.00000 37 7PY 0.00001 0.00000 0.00000 0.00000 0.00148 38 7PZ 0.00000 0.00004 0.01454 0.00000 0.00000 39 8PX 0.00000 0.00000 0.00000 0.00343 0.00000 40 8PY -0.00043 0.00000 0.00000 0.00000 0.00343 41 8PZ 0.00000 0.00026 0.00229 0.00000 0.00000 42 9PX 0.00000 0.00000 0.00000 0.00001 0.00000 43 9PY 0.00000 0.00000 0.00000 0.00000 0.00001 44 9PZ 0.00000 -0.00001 0.00003 0.00000 0.00000 45 10D 0 0.00000 0.00003 0.00263 0.00000 0.00000 46 10D+1 0.00000 0.00000 0.00000 -0.00102 0.00000 47 10D-1 0.00001 0.00000 0.00000 0.00000 -0.00102 48 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 11D 0 0.00000 0.00006 -0.00011 0.00000 0.00000 51 11D+1 0.00000 0.00000 0.00000 0.00075 0.00000 52 11D-1 -0.00011 0.00000 0.00000 0.00000 0.00075 53 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 H 1S 0.00103 -0.00008 0.00307 0.00000 0.01010 56 2S 0.00062 -0.00012 0.00086 0.00000 0.00129 57 3S -0.00007 0.00000 0.00000 0.00000 -0.00001 58 4PX 0.00000 0.00000 0.00000 0.00006 0.00000 59 4PY -0.00001 0.00000 0.00000 0.00000 0.00035 60 4PZ 0.00000 0.00000 -0.00011 0.00000 -0.00018 61 5PX 0.00000 0.00000 0.00000 0.00001 0.00000 62 5PY 0.00004 0.00000 -0.00004 0.00000 -0.00005 63 5PZ -0.00001 0.00001 0.00015 0.00000 0.00072 64 4 H 1S 0.00026 -0.00008 0.00307 0.00757 0.00252 65 2S 0.00016 -0.00012 0.00086 0.00097 0.00032 66 3S -0.00002 0.00000 0.00000 -0.00001 0.00000 67 4PX 0.00000 0.00000 0.00000 0.00015 0.00013 68 4PY 0.00000 0.00000 0.00000 0.00013 0.00000 69 4PZ 0.00000 0.00000 -0.00011 -0.00013 -0.00004 70 5PX 0.00000 0.00000 -0.00003 0.00000 -0.00004 71 5PY 0.00002 0.00000 -0.00001 -0.00004 0.00004 72 5PZ 0.00000 0.00001 0.00015 0.00054 0.00018 73 5 H 1S 0.00026 -0.00008 0.00307 0.00757 0.00252 74 2S 0.00016 -0.00012 0.00086 0.00097 0.00032 75 3S -0.00002 0.00000 0.00000 -0.00001 0.00000 76 4PX 0.00000 0.00000 0.00000 0.00015 0.00013 77 4PY 0.00000 0.00000 0.00000 0.00013 0.00000 78 4PZ 0.00000 0.00000 -0.00011 -0.00013 -0.00004 79 5PX 0.00000 0.00000 -0.00003 0.00000 -0.00004 80 5PY 0.00002 0.00000 -0.00001 -0.00004 0.00004 81 5PZ 0.00000 0.00001 0.00015 0.00054 0.00018 82 6 H 1S -0.00002 0.00013 -0.00004 0.00000 0.00013 83 2S 0.00002 0.00024 -0.00037 0.00000 0.00016 84 3S -0.00003 -0.00006 0.00005 0.00000 0.00001 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PZ 0.00000 0.00000 0.00001 0.00000 0.00000 88 5PX 0.00000 0.00000 0.00000 -0.00003 0.00000 89 5PY -0.00001 0.00000 -0.00001 0.00000 -0.00002 90 5PZ 0.00001 0.00000 -0.00001 0.00000 -0.00017 91 7 H 1S 0.00000 0.00013 -0.00004 0.00010 0.00003 92 2S 0.00001 0.00024 -0.00037 0.00012 0.00004 93 3S -0.00001 -0.00006 0.00005 0.00001 0.00000 94 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 95 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 96 4PZ 0.00000 0.00000 0.00001 0.00000 0.00000 97 5PX 0.00000 0.00000 -0.00001 0.00000 -0.00002 98 5PY 0.00001 0.00000 0.00000 -0.00002 -0.00001 99 5PZ 0.00000 0.00000 -0.00001 -0.00013 -0.00004 100 8 H 1S 0.00000 0.00013 -0.00004 0.00010 0.00003 101 2S 0.00001 0.00024 -0.00037 0.00012 0.00004 102 3S -0.00001 -0.00006 0.00005 0.00001 0.00000 103 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 104 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 105 4PZ 0.00000 0.00000 0.00001 0.00000 0.00000 106 5PX 0.00000 0.00000 -0.00001 0.00000 -0.00002 107 5PY 0.00001 0.00000 0.00000 -0.00002 -0.00001 108 5PZ 0.00000 0.00000 -0.00001 -0.00013 -0.00004 21 22 23 24 25 21 10D+2 0.01242 22 10D-2 0.00000 0.01242 23 11D 0 0.00000 0.00000 0.00133 24 11D+1 0.00000 0.00000 0.00000 0.00178 25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00178 26 11D+2 0.00459 0.00000 0.00000 0.00000 0.00000 27 11D-2 0.00000 0.00459 0.00000 0.00000 0.00000 28 2 Si 1S 0.00000 0.00000 -0.00003 0.00000 0.00000 29 2S 0.00000 0.00000 0.00139 0.00000 0.00000 30 3S 0.00000 0.00000 0.00436 0.00000 0.00000 31 4S 0.00000 0.00000 0.00219 0.00000 0.00000 32 5S 0.00000 0.00000 -0.00048 0.00000 0.00000 33 6PX 0.00000 0.00000 0.00000 0.00040 0.00000 34 6PY 0.00000 0.00000 0.00000 0.00000 0.00040 35 6PZ 0.00000 0.00000 -0.00009 0.00000 0.00000 36 7PX 0.00000 0.00000 0.00000 -0.00583 0.00000 37 7PY 0.00000 0.00000 0.00000 0.00000 -0.00583 38 7PZ 0.00000 0.00000 0.00148 0.00000 0.00000 39 8PX 0.00000 0.00000 0.00000 -0.00992 0.00000 40 8PY 0.00000 0.00000 0.00000 0.00000 -0.00992 41 8PZ 0.00000 0.00000 -0.00082 0.00000 0.00000 42 9PX 0.00000 0.00000 0.00000 -0.00011 0.00000 43 9PY 0.00000 0.00000 0.00000 0.00000 -0.00011 44 9PZ 0.00000 0.00000 0.00006 0.00000 0.00000 45 10D 0 0.00000 0.00000 -0.00011 0.00000 0.00000 46 10D+1 0.00000 0.00000 0.00000 0.00075 0.00000 47 10D-1 0.00000 0.00000 0.00000 0.00000 0.00075 48 10D+2 0.00010 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 0.00010 0.00000 0.00000 0.00000 50 11D 0 0.00000 0.00000 -0.00009 0.00000 0.00000 51 11D+1 0.00000 0.00000 0.00000 -0.00041 0.00000 52 11D-1 0.00000 0.00000 0.00000 0.00000 -0.00041 53 11D+2 -0.00006 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 -0.00006 0.00000 0.00000 0.00000 55 3 H 1S 0.02023 0.00000 0.00085 0.00000 -0.00218 56 2S 0.00265 0.00000 0.00046 0.00000 -0.00051 57 3S -0.00002 0.00000 0.00000 0.00000 0.00000 58 4PX 0.00000 -0.00023 0.00000 -0.00001 0.00000 59 4PY 0.00031 0.00000 -0.00004 0.00000 0.00000 60 4PZ 0.00022 0.00000 -0.00001 0.00000 0.00005 61 5PX 0.00000 -0.00015 0.00000 0.00005 0.00000 62 5PY 0.00021 0.00000 -0.00002 0.00000 -0.00003 63 5PZ -0.00029 0.00000 0.00006 0.00000 -0.00048 64 4 H 1S 0.00506 0.01517 0.00085 -0.00164 -0.00055 65 2S 0.00066 0.00199 0.00046 -0.00039 -0.00013 66 3S -0.00001 -0.00002 0.00000 0.00000 0.00000 67 4PX -0.00012 0.00029 -0.00003 0.00001 -0.00001 68 4PY 0.00003 -0.00012 -0.00001 -0.00001 0.00000 69 4PZ 0.00006 0.00017 -0.00001 0.00004 0.00001 70 5PX 0.00011 0.00001 -0.00002 -0.00004 0.00002 71 5PY -0.00017 0.00011 -0.00001 0.00002 0.00001 72 5PZ -0.00007 -0.00022 0.00006 -0.00036 -0.00012 73 5 H 1S 0.00506 0.01517 0.00085 -0.00164 -0.00055 74 2S 0.00066 0.00199 0.00046 -0.00039 -0.00013 75 3S -0.00001 -0.00002 0.00000 0.00000 0.00000 76 4PX -0.00012 0.00029 -0.00003 0.00001 -0.00001 77 4PY 0.00003 -0.00012 -0.00001 -0.00001 0.00000 78 4PZ 0.00006 0.00017 -0.00001 0.00004 0.00001 79 5PX 0.00011 0.00001 -0.00002 -0.00004 0.00002 80 5PY -0.00017 0.00011 -0.00001 0.00002 0.00001 81 5PZ -0.00007 -0.00022 0.00006 -0.00036 -0.00012 82 6 H 1S 0.00001 0.00000 -0.00030 0.00000 -0.00287 83 2S 0.00000 0.00000 -0.00056 0.00000 -0.00142 84 3S 0.00001 0.00000 0.00006 0.00000 0.00004 85 4PX 0.00000 0.00000 0.00000 -0.00001 0.00000 86 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PZ 0.00000 0.00000 0.00001 0.00000 -0.00004 88 5PX 0.00000 0.00003 0.00000 0.00001 0.00000 89 5PY 0.00001 0.00000 -0.00002 0.00000 -0.00005 90 5PZ -0.00005 0.00000 0.00000 0.00000 0.00033 91 7 H 1S 0.00000 0.00001 -0.00030 -0.00216 -0.00072 92 2S 0.00000 0.00000 -0.00056 -0.00106 -0.00035 93 3S 0.00000 0.00001 0.00006 0.00003 0.00001 94 4PX 0.00000 0.00000 0.00000 0.00001 -0.00001 95 4PY 0.00000 0.00000 0.00000 -0.00001 0.00000 96 4PZ 0.00000 0.00000 0.00001 -0.00003 -0.00001 97 5PX 0.00001 0.00000 -0.00001 -0.00006 0.00003 98 5PY 0.00001 0.00001 0.00000 0.00003 -0.00003 99 5PZ -0.00001 -0.00004 0.00000 0.00025 0.00008 100 8 H 1S 0.00000 0.00001 -0.00030 -0.00216 -0.00072 101 2S 0.00000 0.00000 -0.00056 -0.00106 -0.00035 102 3S 0.00000 0.00001 0.00006 0.00003 0.00001 103 4PX 0.00000 0.00000 0.00000 0.00001 -0.00001 104 4PY 0.00000 0.00000 0.00000 -0.00001 0.00000 105 4PZ 0.00000 0.00000 0.00001 -0.00003 -0.00001 106 5PX 0.00001 0.00000 -0.00001 -0.00006 0.00003 107 5PY 0.00001 0.00001 0.00000 0.00003 -0.00003 108 5PZ -0.00001 -0.00004 0.00000 0.00025 0.00008 26 27 28 29 30 26 11D+2 0.00581 27 11D-2 0.00000 0.00581 28 2 Si 1S 0.00000 0.00000 2.14960 29 2S 0.00000 0.00000 -0.15084 2.24271 30 3S 0.00000 0.00000 -0.00077 -0.01910 0.34377 31 4S 0.00000 0.00000 0.00146 -0.04761 0.15388 32 5S 0.00000 0.00000 -0.00024 0.00785 -0.03833 33 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 34 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 35 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 36 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 37 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 38 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 39 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 40 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 41 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 42 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 44 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000 46 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 10D+2 -0.00006 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 -0.00006 0.00000 0.00000 0.00000 50 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 51 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 11D+2 -0.00056 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 -0.00056 0.00000 0.00000 0.00000 55 3 H 1S 0.01046 0.00000 0.00000 0.00000 -0.00006 56 2S 0.00299 0.00000 0.00000 0.00008 -0.00092 57 3S -0.00007 0.00000 0.00000 0.00002 -0.00057 58 4PX 0.00000 -0.00011 0.00000 0.00000 0.00000 59 4PY -0.00018 0.00000 0.00000 0.00000 0.00000 60 4PZ 0.00004 0.00000 0.00000 0.00000 0.00000 61 5PX 0.00000 -0.00021 0.00000 0.00000 0.00000 62 5PY 0.00034 0.00000 0.00000 0.00001 -0.00004 63 5PZ -0.00015 0.00000 0.00000 0.00002 -0.00046 64 4 H 1S 0.00262 0.00785 0.00000 0.00000 -0.00006 65 2S 0.00075 0.00225 0.00000 0.00008 -0.00092 66 3S -0.00002 -0.00005 0.00000 0.00002 -0.00057 67 4PX -0.00014 -0.00003 0.00000 0.00000 0.00000 68 4PY 0.00001 -0.00014 0.00000 0.00000 0.00000 69 4PZ 0.00001 0.00003 0.00000 0.00000 0.00000 70 5PX 0.00010 0.00010 0.00000 0.00001 -0.00003 71 5PY -0.00017 0.00010 0.00000 0.00000 -0.00001 72 5PZ -0.00004 -0.00012 0.00000 0.00002 -0.00046 73 5 H 1S 0.00262 0.00785 0.00000 0.00000 -0.00006 74 2S 0.00075 0.00225 0.00000 0.00008 -0.00092 75 3S -0.00002 -0.00005 0.00000 0.00002 -0.00057 76 4PX -0.00014 -0.00003 0.00000 0.00000 0.00000 77 4PY 0.00001 -0.00014 0.00000 0.00000 0.00000 78 4PZ 0.00001 0.00003 0.00000 0.00000 0.00000 79 5PX 0.00010 0.00010 0.00000 0.00001 -0.00003 80 5PY -0.00017 0.00010 0.00000 0.00000 -0.00001 81 5PZ -0.00004 -0.00012 0.00000 0.00002 -0.00046 82 6 H 1S -0.00011 0.00000 0.00006 -0.00251 0.03655 83 2S -0.00013 0.00000 0.00014 -0.00418 0.02356 84 3S 0.00003 0.00000 0.00005 -0.00179 0.00595 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY 0.00000 0.00000 0.00001 -0.00034 0.00309 87 4PZ 0.00000 0.00000 0.00000 -0.00006 0.00050 88 5PX 0.00000 0.00009 0.00000 0.00000 0.00000 89 5PY 0.00005 0.00000 0.00004 -0.00100 0.00076 90 5PZ -0.00005 0.00000 0.00000 0.00004 0.00035 91 7 H 1S -0.00003 -0.00009 0.00006 -0.00251 0.03655 92 2S -0.00003 -0.00010 0.00014 -0.00418 0.02356 93 3S 0.00001 0.00002 0.00005 -0.00179 0.00595 94 4PX 0.00000 0.00000 0.00000 -0.00025 0.00232 95 4PY 0.00000 0.00000 0.00000 -0.00008 0.00077 96 4PZ 0.00000 0.00000 0.00000 -0.00006 0.00050 97 5PX 0.00005 0.00001 0.00003 -0.00075 0.00057 98 5PY 0.00003 0.00005 0.00001 -0.00025 0.00019 99 5PZ -0.00001 -0.00004 0.00000 0.00004 0.00035 100 8 H 1S -0.00003 -0.00009 0.00006 -0.00251 0.03655 101 2S -0.00003 -0.00010 0.00014 -0.00418 0.02356 102 3S 0.00001 0.00002 0.00005 -0.00179 0.00595 103 4PX 0.00000 0.00000 0.00000 -0.00025 0.00232 104 4PY 0.00000 0.00000 0.00000 -0.00008 0.00077 105 4PZ 0.00000 0.00000 0.00000 -0.00006 0.00050 106 5PX 0.00005 0.00001 0.00003 -0.00075 0.00057 107 5PY 0.00003 0.00005 0.00001 -0.00025 0.00019 108 5PZ -0.00001 -0.00004 0.00000 0.00004 0.00035 31 32 33 34 35 31 4S 0.11035 32 5S -0.03065 0.01869 33 6PX 0.00000 0.00000 2.02754 34 6PY 0.00000 0.00000 0.00000 2.02754 35 6PZ 0.00000 0.00000 0.00000 0.00000 2.02867 36 7PX 0.00000 0.00000 -0.01893 0.00000 0.00000 37 7PY 0.00000 0.00000 0.00000 -0.01893 0.00000 38 7PZ 0.00000 0.00000 0.00000 0.00000 -0.02069 39 8PX 0.00000 0.00000 -0.00737 0.00000 0.00000 40 8PY 0.00000 0.00000 0.00000 -0.00737 0.00000 41 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00688 42 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 44 9PZ 0.00000 0.00000 0.00000 0.00000 0.00004 45 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000 46 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 51 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 H 1S -0.00019 0.00225 0.00000 0.00000 0.00000 56 2S -0.00144 0.00308 0.00000 -0.00001 0.00007 57 3S 0.00010 0.00093 0.00000 0.00001 -0.00004 58 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 59 4PY 0.00001 0.00002 0.00000 0.00000 0.00000 60 4PZ 0.00005 0.00000 0.00000 0.00000 0.00000 61 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 5PY -0.00006 0.00004 0.00000 0.00000 0.00001 63 5PZ -0.00047 0.00024 0.00000 -0.00001 0.00001 64 4 H 1S -0.00019 0.00225 0.00000 0.00000 0.00000 65 2S -0.00144 0.00308 0.00000 0.00000 0.00007 66 3S 0.00010 0.00093 0.00000 0.00000 -0.00004 67 4PX 0.00001 0.00002 0.00000 0.00000 0.00000 68 4PY 0.00000 0.00001 0.00000 0.00000 0.00000 69 4PZ 0.00005 0.00000 0.00000 0.00000 0.00000 70 5PX -0.00005 0.00003 0.00000 0.00000 0.00001 71 5PY -0.00002 0.00001 0.00000 0.00000 0.00000 72 5PZ -0.00047 0.00024 -0.00001 0.00000 0.00001 73 5 H 1S -0.00019 0.00225 0.00000 0.00000 0.00000 74 2S -0.00144 0.00308 0.00000 0.00000 0.00007 75 3S 0.00010 0.00093 0.00000 0.00000 -0.00004 76 4PX 0.00001 0.00002 0.00000 0.00000 0.00000 77 4PY 0.00000 0.00001 0.00000 0.00000 0.00000 78 4PZ 0.00005 0.00000 0.00000 0.00000 0.00000 79 5PX -0.00005 0.00003 0.00000 0.00000 0.00001 80 5PY -0.00002 0.00001 0.00000 0.00000 0.00000 81 5PZ -0.00047 0.00024 -0.00001 0.00000 0.00001 82 6 H 1S 0.02000 -0.00704 0.00000 -0.00390 -0.00053 83 2S 0.01152 -0.00548 0.00000 -0.00210 -0.00060 84 3S 0.00530 -0.00325 0.00000 -0.00001 -0.00001 85 4PX 0.00000 0.00000 -0.00001 0.00000 0.00000 86 4PY 0.00086 -0.00011 0.00000 -0.00019 -0.00005 87 4PZ 0.00017 -0.00002 0.00000 -0.00005 0.00000 88 5PX 0.00000 0.00000 -0.00013 0.00000 0.00000 89 5PY 0.00029 -0.00007 0.00000 -0.00020 -0.00018 90 5PZ 0.00001 -0.00005 0.00000 0.00014 0.00012 91 7 H 1S 0.02000 -0.00704 -0.00293 -0.00098 -0.00053 92 2S 0.01152 -0.00548 -0.00158 -0.00053 -0.00060 93 3S 0.00530 -0.00325 -0.00001 0.00000 -0.00001 94 4PX 0.00065 -0.00008 -0.00009 -0.00006 -0.00003 95 4PY 0.00022 -0.00003 -0.00006 0.00000 -0.00001 96 4PZ 0.00017 -0.00002 -0.00004 -0.00001 0.00000 97 5PX 0.00021 -0.00006 -0.00005 -0.00013 -0.00014 98 5PY 0.00007 -0.00002 -0.00013 -0.00002 -0.00005 99 5PZ 0.00001 -0.00005 0.00011 0.00004 0.00012 100 8 H 1S 0.02000 -0.00704 -0.00293 -0.00098 -0.00053 101 2S 0.01152 -0.00548 -0.00158 -0.00053 -0.00060 102 3S 0.00530 -0.00325 -0.00001 0.00000 -0.00001 103 4PX 0.00065 -0.00008 -0.00009 -0.00006 -0.00003 104 4PY 0.00022 -0.00003 -0.00006 0.00000 -0.00001 105 4PZ 0.00017 -0.00002 -0.00004 -0.00001 0.00000 106 5PX 0.00021 -0.00006 -0.00005 -0.00013 -0.00014 107 5PY 0.00007 -0.00002 -0.00013 -0.00002 -0.00005 108 5PZ 0.00001 -0.00005 0.00011 0.00004 0.00012 36 37 38 39 40 36 7PX 0.22279 37 7PY 0.00000 0.22279 38 7PZ 0.00000 0.00000 0.24420 39 8PX 0.12613 0.00000 0.00000 0.18731 40 8PY 0.00000 0.12613 0.00000 0.00000 0.18731 41 8PZ 0.00000 0.00000 0.10446 0.00000 0.00000 42 9PX 0.00110 0.00000 0.00000 0.00300 0.00000 43 9PY 0.00000 0.00110 0.00000 0.00000 0.00300 44 9PZ 0.00000 0.00000 -0.00081 0.00000 0.00000 45 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000 46 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000 51 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 H 1S 0.00000 -0.00001 -0.00016 0.00000 -0.00271 56 2S 0.00000 0.00019 -0.00206 0.00000 -0.00121 57 3S 0.00000 -0.00021 0.00050 0.00000 -0.00044 58 4PX 0.00000 0.00000 0.00000 -0.00001 0.00000 59 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 60 4PZ 0.00000 0.00000 0.00001 0.00000 -0.00006 61 5PX 0.00011 0.00000 0.00000 0.00044 0.00000 62 5PY 0.00000 0.00003 -0.00004 0.00000 -0.00016 63 5PZ 0.00000 0.00031 -0.00008 0.00000 0.00135 64 4 H 1S 0.00000 0.00000 -0.00016 -0.00203 -0.00068 65 2S 0.00014 0.00005 -0.00206 -0.00091 -0.00030 66 3S -0.00016 -0.00005 0.00050 -0.00033 -0.00011 67 4PX 0.00000 0.00000 0.00000 0.00000 -0.00001 68 4PY 0.00000 0.00000 0.00000 -0.00001 0.00000 69 4PZ 0.00000 0.00000 0.00001 -0.00005 -0.00002 70 5PX 0.00000 0.00005 -0.00003 -0.00016 0.00015 71 5PY 0.00005 0.00004 -0.00001 0.00015 0.00014 72 5PZ 0.00023 0.00008 -0.00008 0.00102 0.00034 73 5 H 1S 0.00000 0.00000 -0.00016 -0.00203 -0.00068 74 2S 0.00014 0.00005 -0.00206 -0.00091 -0.00030 75 3S -0.00016 -0.00005 0.00050 -0.00033 -0.00011 76 4PX 0.00000 0.00000 0.00000 0.00000 -0.00001 77 4PY 0.00000 0.00000 0.00000 -0.00001 0.00000 78 4PZ 0.00000 0.00000 0.00001 -0.00005 -0.00002 79 5PX 0.00000 0.00005 -0.00003 -0.00016 0.00015 80 5PY 0.00005 0.00004 -0.00001 0.00015 0.00014 81 5PZ 0.00023 0.00008 -0.00008 0.00102 0.00034 82 6 H 1S 0.00000 0.08964 0.01216 0.00000 0.09360 83 2S 0.00000 0.02474 0.00711 0.00000 0.03621 84 3S 0.00000 -0.00067 -0.00002 0.00000 -0.00149 85 4PX 0.00045 0.00000 0.00000 0.00045 0.00000 86 4PY 0.00000 0.00311 0.00081 0.00000 0.00013 87 4PZ 0.00000 0.00093 0.00020 0.00000 0.00035 88 5PX 0.00074 0.00000 0.00000 0.00052 0.00000 89 5PY 0.00000 -0.00081 0.00025 0.00000 0.00098 90 5PZ 0.00000 -0.00249 -0.00081 0.00000 -0.00212 91 7 H 1S 0.06723 0.02241 0.01216 0.07020 0.02340 92 2S 0.01855 0.00618 0.00711 0.02716 0.00905 93 3S -0.00050 -0.00017 -0.00002 -0.00112 -0.00037 94 4PX 0.00132 0.00113 0.00061 -0.00021 0.00042 95 4PY 0.00113 -0.00002 0.00020 0.00042 -0.00005 96 4PZ 0.00069 0.00023 0.00020 0.00026 0.00009 97 5PX 0.00001 -0.00043 0.00019 0.00134 -0.00047 98 5PY -0.00043 0.00078 0.00006 -0.00047 0.00111 99 5PZ -0.00187 -0.00062 -0.00081 -0.00159 -0.00053 100 8 H 1S 0.06723 0.02241 0.01216 0.07020 0.02340 101 2S 0.01855 0.00618 0.00711 0.02716 0.00905 102 3S -0.00050 -0.00017 -0.00002 -0.00112 -0.00037 103 4PX 0.00132 0.00113 0.00061 -0.00021 0.00042 104 4PY 0.00113 -0.00002 0.00020 0.00042 -0.00005 105 4PZ 0.00069 0.00023 0.00020 0.00026 0.00009 106 5PX 0.00001 -0.00043 0.00019 0.00134 -0.00047 107 5PY -0.00043 0.00078 0.00006 -0.00047 0.00111 108 5PZ -0.00187 -0.00062 -0.00081 -0.00159 -0.00053 41 42 43 44 45 41 8PZ 0.11489 42 9PX 0.00000 0.00013 43 9PY 0.00000 0.00000 0.00013 44 9PZ -0.00148 0.00000 0.00000 0.00010 45 10D 0 0.00000 0.00000 0.00000 0.00000 0.01438 46 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000 49 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 11D 0 0.00000 0.00000 0.00000 0.00000 0.00223 51 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 H 1S -0.00181 0.00000 -0.00002 0.00013 -0.00004 56 2S -0.00537 0.00000 0.00002 0.00024 -0.00037 57 3S 0.00133 0.00000 -0.00003 -0.00006 0.00005 58 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 59 4PY 0.00001 0.00000 0.00000 0.00000 0.00000 60 4PZ 0.00016 0.00000 0.00000 0.00000 0.00001 61 5PX 0.00000 0.00002 0.00000 0.00000 0.00000 62 5PY -0.00009 0.00000 -0.00001 0.00000 -0.00001 63 5PZ -0.00004 0.00000 0.00001 0.00000 -0.00001 64 4 H 1S -0.00181 -0.00001 0.00000 0.00013 -0.00004 65 2S -0.00537 0.00002 0.00001 0.00024 -0.00037 66 3S 0.00133 -0.00003 -0.00001 -0.00006 0.00005 67 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 4PZ 0.00016 0.00000 0.00000 0.00000 0.00001 70 5PX -0.00007 -0.00001 0.00000 0.00000 -0.00001 71 5PY -0.00002 0.00000 0.00001 0.00000 0.00000 72 5PZ -0.00004 0.00001 0.00000 0.00000 -0.00001 73 5 H 1S -0.00181 -0.00001 0.00000 0.00013 -0.00004 74 2S -0.00537 0.00002 0.00001 0.00024 -0.00037 75 3S 0.00133 -0.00003 -0.00001 -0.00006 0.00005 76 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4PZ 0.00016 0.00000 0.00000 0.00000 0.00001 79 5PX -0.00007 -0.00001 0.00000 0.00000 -0.00001 80 5PY -0.00002 0.00000 0.00001 0.00000 0.00000 81 5PZ -0.00004 0.00001 0.00000 0.00000 -0.00001 82 6 H 1S 0.01046 0.00000 0.00103 -0.00008 0.00307 83 2S 0.00839 0.00000 0.00062 -0.00012 0.00086 84 3S 0.00003 0.00000 -0.00007 0.00000 0.00000 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY 0.00026 0.00000 -0.00001 0.00000 0.00000 87 4PZ 0.00019 0.00000 0.00000 0.00000 -0.00011 88 5PX 0.00000 0.00002 0.00000 0.00000 0.00000 89 5PY 0.00016 0.00000 0.00004 0.00000 -0.00004 90 5PZ -0.00112 0.00000 -0.00001 0.00001 0.00015 91 7 H 1S 0.01046 0.00077 0.00026 -0.00008 0.00307 92 2S 0.00839 0.00047 0.00016 -0.00012 0.00086 93 3S 0.00003 -0.00005 -0.00002 0.00000 0.00000 94 4PX 0.00020 -0.00001 0.00000 0.00000 0.00000 95 4PY 0.00007 0.00000 0.00000 0.00000 0.00000 96 4PZ 0.00019 0.00000 0.00000 0.00000 -0.00011 97 5PX 0.00012 0.00004 0.00000 0.00000 -0.00003 98 5PY 0.00004 0.00000 0.00002 0.00000 -0.00001 99 5PZ -0.00112 -0.00001 0.00000 0.00001 0.00015 100 8 H 1S 0.01046 0.00077 0.00026 -0.00008 0.00307 101 2S 0.00839 0.00047 0.00016 -0.00012 0.00086 102 3S 0.00003 -0.00005 -0.00002 0.00000 0.00000 103 4PX 0.00020 -0.00001 0.00000 0.00000 0.00000 104 4PY 0.00007 0.00000 0.00000 0.00000 0.00000 105 4PZ 0.00019 0.00000 0.00000 0.00000 -0.00011 106 5PX 0.00012 0.00004 0.00000 0.00000 -0.00003 107 5PY 0.00004 0.00000 0.00002 0.00000 -0.00001 108 5PZ -0.00112 -0.00001 0.00000 0.00001 0.00015 46 47 48 49 50 46 10D+1 0.00599 47 10D-1 0.00000 0.00599 48 10D+2 0.00000 0.00000 0.01242 49 10D-2 0.00000 0.00000 0.00000 0.01242 50 11D 0 0.00000 0.00000 0.00000 0.00000 0.00133 51 11D+1 -0.00129 0.00000 0.00000 0.00000 0.00000 52 11D-1 0.00000 -0.00129 0.00000 0.00000 0.00000 53 11D+2 0.00000 0.00000 0.00459 0.00000 0.00000 54 11D-2 0.00000 0.00000 0.00000 0.00459 0.00000 55 3 H 1S 0.00000 0.00013 0.00001 0.00000 -0.00030 56 2S 0.00000 0.00016 0.00000 0.00000 -0.00056 57 3S 0.00000 0.00001 0.00001 0.00000 0.00006 58 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 59 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 60 4PZ 0.00000 0.00000 0.00000 0.00000 0.00001 61 5PX -0.00003 0.00000 0.00000 0.00003 0.00000 62 5PY 0.00000 -0.00002 0.00001 0.00000 -0.00002 63 5PZ 0.00000 -0.00017 -0.00005 0.00000 0.00000 64 4 H 1S 0.00010 0.00003 0.00000 0.00001 -0.00030 65 2S 0.00012 0.00004 0.00000 0.00000 -0.00056 66 3S 0.00001 0.00000 0.00000 0.00001 0.00006 67 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 68 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 69 4PZ 0.00000 0.00000 0.00000 0.00000 0.00001 70 5PX 0.00000 -0.00002 0.00001 0.00000 -0.00001 71 5PY -0.00002 -0.00001 0.00001 0.00001 0.00000 72 5PZ -0.00013 -0.00004 -0.00001 -0.00004 0.00000 73 5 H 1S 0.00010 0.00003 0.00000 0.00001 -0.00030 74 2S 0.00012 0.00004 0.00000 0.00000 -0.00056 75 3S 0.00001 0.00000 0.00000 0.00001 0.00006 76 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4PZ 0.00000 0.00000 0.00000 0.00000 0.00001 79 5PX 0.00000 -0.00002 0.00001 0.00000 -0.00001 80 5PY -0.00002 -0.00001 0.00001 0.00001 0.00000 81 5PZ -0.00013 -0.00004 -0.00001 -0.00004 0.00000 82 6 H 1S 0.00000 0.01010 0.02023 0.00000 0.00085 83 2S 0.00000 0.00129 0.00265 0.00000 0.00046 84 3S 0.00000 -0.00001 -0.00002 0.00000 0.00000 85 4PX 0.00006 0.00000 0.00000 -0.00023 0.00000 86 4PY 0.00000 0.00035 0.00031 0.00000 -0.00004 87 4PZ 0.00000 -0.00018 0.00022 0.00000 -0.00001 88 5PX 0.00001 0.00000 0.00000 -0.00015 0.00000 89 5PY 0.00000 -0.00005 0.00021 0.00000 -0.00002 90 5PZ 0.00000 0.00072 -0.00029 0.00000 0.00006 91 7 H 1S 0.00757 0.00252 0.00506 0.01517 0.00085 92 2S 0.00097 0.00032 0.00066 0.00199 0.00046 93 3S -0.00001 0.00000 -0.00001 -0.00002 0.00000 94 4PX 0.00015 0.00013 -0.00012 0.00029 -0.00003 95 4PY 0.00013 0.00000 0.00003 -0.00012 -0.00001 96 4PZ -0.00013 -0.00004 0.00006 0.00017 -0.00001 97 5PX 0.00000 -0.00004 0.00011 0.00001 -0.00002 98 5PY -0.00004 0.00004 -0.00017 0.00011 -0.00001 99 5PZ 0.00054 0.00018 -0.00007 -0.00022 0.00006 100 8 H 1S 0.00757 0.00252 0.00506 0.01517 0.00085 101 2S 0.00097 0.00032 0.00066 0.00199 0.00046 102 3S -0.00001 0.00000 -0.00001 -0.00002 0.00000 103 4PX 0.00015 0.00013 -0.00012 0.00029 -0.00003 104 4PY 0.00013 0.00000 0.00003 -0.00012 -0.00001 105 4PZ -0.00013 -0.00004 0.00006 0.00017 -0.00001 106 5PX 0.00000 -0.00004 0.00011 0.00001 -0.00002 107 5PY -0.00004 0.00004 -0.00017 0.00011 -0.00001 108 5PZ 0.00054 0.00018 -0.00007 -0.00022 0.00006 51 52 53 54 55 51 11D+1 0.00178 52 11D-1 0.00000 0.00178 53 11D+2 0.00000 0.00000 0.00581 54 11D-2 0.00000 0.00000 0.00000 0.00581 55 3 H 1S 0.00000 -0.00287 -0.00011 0.00000 0.35838 56 2S 0.00000 -0.00142 -0.00013 0.00000 0.07963 57 3S 0.00000 0.00004 0.00003 0.00000 -0.00050 58 4PX -0.00001 0.00000 0.00000 0.00000 0.00000 59 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 60 4PZ 0.00000 -0.00004 0.00000 0.00000 0.00000 61 5PX 0.00001 0.00000 0.00000 0.00009 0.00000 62 5PY 0.00000 -0.00005 0.00005 0.00000 0.00000 63 5PZ 0.00000 0.00033 -0.00005 0.00000 0.00000 64 4 H 1S -0.00216 -0.00072 -0.00003 -0.00009 -0.00025 65 2S -0.00106 -0.00035 -0.00003 -0.00010 0.00034 66 3S 0.00003 0.00001 0.00001 0.00002 0.00169 67 4PX 0.00001 -0.00001 0.00000 0.00000 0.00000 68 4PY -0.00001 0.00000 0.00000 0.00000 0.00002 69 4PZ -0.00003 -0.00001 0.00000 0.00000 0.00000 70 5PX -0.00006 0.00003 0.00005 0.00001 0.00032 71 5PY 0.00003 -0.00003 0.00003 0.00005 0.00064 72 5PZ 0.00025 0.00008 -0.00001 -0.00004 0.00000 73 5 H 1S -0.00216 -0.00072 -0.00003 -0.00009 -0.00025 74 2S -0.00106 -0.00035 -0.00003 -0.00010 0.00034 75 3S 0.00003 0.00001 0.00001 0.00002 0.00169 76 4PX 0.00001 -0.00001 0.00000 0.00000 0.00000 77 4PY -0.00001 0.00000 0.00000 0.00000 0.00002 78 4PZ -0.00003 -0.00001 0.00000 0.00000 0.00000 79 5PX -0.00006 0.00003 0.00005 0.00001 0.00032 80 5PY 0.00003 -0.00003 0.00003 0.00005 0.00064 81 5PZ 0.00025 0.00008 -0.00001 -0.00004 0.00000 82 6 H 1S 0.00000 -0.00218 0.01046 0.00000 0.00000 83 2S 0.00000 -0.00051 0.00299 0.00000 0.00000 84 3S 0.00000 0.00000 -0.00007 0.00000 0.00008 85 4PX -0.00001 0.00000 0.00000 -0.00011 0.00000 86 4PY 0.00000 0.00000 -0.00018 0.00000 0.00000 87 4PZ 0.00000 0.00005 0.00004 0.00000 0.00000 88 5PX 0.00005 0.00000 0.00000 -0.00021 0.00000 89 5PY 0.00000 -0.00003 0.00034 0.00000 -0.00001 90 5PZ 0.00000 -0.00048 -0.00015 0.00000 -0.00001 91 7 H 1S -0.00164 -0.00055 0.00262 0.00785 0.00000 92 2S -0.00039 -0.00013 0.00075 0.00225 0.00005 93 3S 0.00000 0.00000 -0.00002 -0.00005 -0.00047 94 4PX 0.00001 -0.00001 -0.00014 -0.00003 0.00000 95 4PY -0.00001 0.00000 0.00001 -0.00014 0.00000 96 4PZ 0.00004 0.00001 0.00001 0.00003 0.00000 97 5PX -0.00004 0.00002 0.00010 0.00010 0.00002 98 5PY 0.00002 0.00001 -0.00017 0.00010 0.00001 99 5PZ -0.00036 -0.00012 -0.00004 -0.00012 0.00002 100 8 H 1S -0.00164 -0.00055 0.00262 0.00785 0.00000 101 2S -0.00039 -0.00013 0.00075 0.00225 0.00005 102 3S 0.00000 0.00000 -0.00002 -0.00005 -0.00047 103 4PX 0.00001 -0.00001 -0.00014 -0.00003 0.00000 104 4PY -0.00001 0.00000 0.00001 -0.00014 0.00000 105 4PZ 0.00004 0.00001 0.00001 0.00003 0.00000 106 5PX -0.00004 0.00002 0.00010 0.00010 0.00002 107 5PY 0.00002 0.00001 -0.00017 0.00010 0.00001 108 5PZ -0.00036 -0.00012 -0.00004 -0.00012 0.00002 56 57 58 59 60 56 2S 0.04118 57 3S -0.00013 0.00113 58 4PX 0.00000 0.00000 0.00004 59 4PY 0.00000 0.00000 0.00000 0.00120 60 4PZ 0.00000 0.00000 0.00000 0.00000 0.00027 61 5PX 0.00000 0.00000 0.00001 0.00000 0.00000 62 5PY 0.00000 0.00000 0.00000 -0.00010 0.00000 63 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00016 64 4 H 1S 0.00034 0.00169 0.00001 0.00001 0.00000 65 2S 0.00245 0.00142 0.00003 0.00010 0.00000 66 3S 0.00142 0.00043 0.00000 0.00003 0.00000 67 4PX 0.00003 0.00001 0.00000 0.00000 0.00000 68 4PY 0.00009 0.00001 0.00000 0.00000 0.00000 69 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PX 0.00020 0.00001 0.00000 0.00002 0.00000 71 5PY 0.00044 -0.00002 0.00000 0.00002 0.00000 72 5PZ 0.00000 0.00000 0.00000 0.00000 0.00001 73 5 H 1S 0.00034 0.00169 0.00001 0.00001 0.00000 74 2S 0.00245 0.00142 0.00003 0.00010 0.00000 75 3S 0.00142 0.00043 0.00000 0.00003 0.00000 76 4PX 0.00003 0.00001 0.00000 0.00000 0.00000 77 4PY 0.00009 0.00001 0.00000 0.00000 0.00000 78 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 5PX 0.00020 0.00001 0.00000 0.00002 0.00000 80 5PY 0.00044 -0.00002 0.00000 0.00002 0.00000 81 5PZ 0.00000 0.00000 0.00000 0.00000 0.00001 82 6 H 1S 0.00000 0.00008 0.00000 0.00000 0.00000 83 2S 0.00003 0.00000 0.00000 0.00000 0.00000 84 3S 0.00000 -0.00023 0.00000 0.00000 0.00000 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 5PY -0.00002 -0.00001 0.00000 0.00000 0.00000 90 5PZ -0.00004 -0.00004 0.00000 0.00000 0.00000 91 7 H 1S 0.00005 -0.00047 0.00000 0.00000 0.00000 92 2S 0.00036 -0.00058 0.00000 0.00000 0.00000 93 3S -0.00058 -0.00007 0.00000 0.00000 0.00000 94 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 95 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 96 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PX 0.00004 -0.00001 0.00000 0.00000 0.00000 98 5PY 0.00001 0.00000 0.00000 0.00000 0.00000 99 5PZ 0.00001 -0.00003 0.00000 0.00000 0.00000 100 8 H 1S 0.00005 -0.00047 0.00000 0.00000 0.00000 101 2S 0.00036 -0.00058 0.00000 0.00000 0.00000 102 3S -0.00058 -0.00007 0.00000 0.00000 0.00000 103 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 104 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 105 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 5PX 0.00004 -0.00001 0.00000 0.00000 0.00000 107 5PY 0.00001 0.00000 0.00000 0.00000 0.00000 108 5PZ 0.00001 -0.00003 0.00000 0.00000 0.00000 61 62 63 64 65 61 5PX 0.00009 62 5PY 0.00000 0.00032 63 5PZ 0.00000 0.00000 0.00093 64 4 H 1S 0.00016 0.00080 0.00000 0.35838 65 2S 0.00012 0.00052 0.00000 0.07963 0.04118 66 3S -0.00002 0.00001 0.00000 -0.00050 -0.00013 67 4PX 0.00000 0.00002 0.00000 0.00000 0.00000 68 4PY 0.00000 0.00001 0.00000 0.00000 0.00000 69 4PZ 0.00000 0.00000 0.00001 0.00000 0.00000 70 5PX 0.00000 -0.00003 0.00000 0.00000 0.00000 71 5PY 0.00002 -0.00001 0.00000 0.00000 0.00000 72 5PZ 0.00000 0.00000 -0.00008 0.00000 0.00000 73 5 H 1S 0.00016 0.00080 0.00000 -0.00025 0.00034 74 2S 0.00012 0.00052 0.00000 0.00034 0.00245 75 3S -0.00002 0.00001 0.00000 0.00169 0.00142 76 4PX 0.00000 0.00002 0.00000 0.00002 0.00013 77 4PY 0.00000 0.00001 0.00000 0.00000 0.00000 78 4PZ 0.00000 0.00000 0.00001 0.00000 0.00000 79 5PX 0.00000 -0.00003 0.00000 0.00096 0.00064 80 5PY 0.00002 -0.00001 0.00000 0.00000 0.00000 81 5PZ 0.00000 0.00000 -0.00008 0.00000 0.00000 82 6 H 1S 0.00000 -0.00001 -0.00001 0.00000 0.00005 83 2S 0.00000 -0.00002 -0.00004 0.00005 0.00036 84 3S 0.00000 -0.00001 -0.00004 -0.00047 -0.00058 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 5PX 0.00000 0.00000 0.00000 0.00002 0.00004 89 5PY 0.00000 0.00001 0.00001 0.00001 0.00001 90 5PZ 0.00000 0.00001 0.00002 0.00002 0.00001 91 7 H 1S 0.00002 0.00001 0.00002 0.00000 0.00005 92 2S 0.00004 0.00001 0.00001 0.00005 0.00036 93 3S -0.00001 0.00000 -0.00003 -0.00047 -0.00058 94 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 95 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 96 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PX 0.00000 0.00000 -0.00002 0.00000 0.00000 98 5PY 0.00000 0.00000 0.00000 0.00003 0.00005 99 5PZ -0.00001 -0.00001 -0.00005 0.00002 0.00001 100 8 H 1S 0.00002 0.00001 0.00002 0.00000 0.00000 101 2S 0.00004 0.00001 0.00001 0.00000 0.00003 102 3S -0.00001 0.00000 -0.00003 0.00008 0.00000 103 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 104 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 105 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 5PX 0.00000 0.00000 -0.00002 0.00000 -0.00002 107 5PY 0.00000 0.00000 0.00000 0.00000 -0.00001 108 5PZ -0.00001 -0.00001 -0.00005 -0.00001 -0.00004 66 67 68 69 70 66 3S 0.00113 67 4PX 0.00000 0.00091 68 4PY 0.00000 0.00000 0.00033 69 4PZ 0.00000 0.00000 0.00000 0.00027 70 5PX 0.00000 -0.00008 0.00000 0.00000 0.00026 71 5PY 0.00000 0.00000 -0.00002 0.00000 0.00000 72 5PZ 0.00000 0.00000 0.00000 -0.00016 0.00000 73 5 H 1S 0.00169 0.00002 0.00000 0.00000 0.00096 74 2S 0.00142 0.00013 0.00000 0.00000 0.00064 75 3S 0.00043 0.00003 0.00000 0.00000 -0.00001 76 4PX 0.00003 0.00000 0.00000 0.00000 0.00003 77 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 79 5PX -0.00001 0.00003 0.00000 0.00000 -0.00002 80 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 5PZ 0.00000 0.00000 0.00000 0.00001 0.00000 82 6 H 1S -0.00047 0.00000 0.00000 0.00000 0.00002 83 2S -0.00058 0.00000 0.00000 0.00000 0.00004 84 3S -0.00007 0.00000 0.00000 0.00000 -0.00001 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 5PX -0.00001 0.00000 0.00000 0.00000 0.00000 89 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 90 5PZ -0.00003 0.00000 0.00000 0.00000 -0.00002 91 7 H 1S -0.00047 0.00000 0.00000 0.00000 0.00000 92 2S -0.00058 0.00000 0.00000 0.00000 0.00000 93 3S -0.00007 0.00000 0.00000 0.00000 0.00000 94 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 95 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 96 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 5PY -0.00001 0.00000 0.00000 0.00000 0.00000 99 5PZ -0.00003 0.00000 0.00000 0.00000 0.00000 100 8 H 1S 0.00008 0.00000 0.00000 0.00000 0.00000 101 2S 0.00000 0.00000 0.00000 0.00000 -0.00002 102 3S -0.00023 0.00000 0.00000 0.00000 -0.00001 103 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 104 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 105 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 5PX -0.00001 0.00000 0.00000 0.00000 0.00000 107 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 5PZ -0.00004 0.00000 0.00000 0.00000 0.00001 71 72 73 74 75 71 5PY 0.00015 72 5PZ 0.00000 0.00093 73 5 H 1S 0.00000 0.00000 0.35838 74 2S 0.00000 0.00000 0.07963 0.04118 75 3S 0.00000 0.00000 -0.00050 -0.00013 0.00113 76 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 77 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 78 4PZ 0.00000 0.00001 0.00000 0.00000 0.00000 79 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 80 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 81 5PZ 0.00000 -0.00008 0.00000 0.00000 0.00000 82 6 H 1S 0.00001 0.00002 0.00000 0.00005 -0.00047 83 2S 0.00001 0.00001 0.00005 0.00036 -0.00058 84 3S 0.00000 -0.00003 -0.00047 -0.00058 -0.00007 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 5PX 0.00000 -0.00001 0.00002 0.00004 -0.00001 89 5PY 0.00000 -0.00001 0.00001 0.00001 0.00000 90 5PZ 0.00000 -0.00005 0.00002 0.00001 -0.00003 91 7 H 1S 0.00003 0.00002 0.00000 0.00000 0.00008 92 2S 0.00005 0.00001 0.00000 0.00003 0.00000 93 3S -0.00001 -0.00003 0.00008 0.00000 -0.00023 94 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 95 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 96 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PX 0.00000 0.00000 0.00000 -0.00002 -0.00001 98 5PY 0.00000 -0.00002 0.00000 -0.00001 0.00000 99 5PZ -0.00002 -0.00005 -0.00001 -0.00004 -0.00004 100 8 H 1S 0.00000 -0.00001 0.00000 0.00005 -0.00047 101 2S -0.00001 -0.00004 0.00005 0.00036 -0.00058 102 3S 0.00000 -0.00004 -0.00047 -0.00058 -0.00007 103 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 104 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 105 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 5PX 0.00000 0.00001 0.00000 0.00000 0.00000 107 5PY 0.00000 0.00000 0.00003 0.00005 -0.00001 108 5PZ 0.00000 0.00002 0.00002 0.00001 -0.00003 76 77 78 79 80 76 4PX 0.00091 77 4PY 0.00000 0.00033 78 4PZ 0.00000 0.00000 0.00027 79 5PX -0.00008 0.00000 0.00000 0.00026 80 5PY 0.00000 -0.00002 0.00000 0.00000 0.00015 81 5PZ 0.00000 0.00000 -0.00016 0.00000 0.00000 82 6 H 1S 0.00000 0.00000 0.00000 0.00002 0.00001 83 2S 0.00000 0.00000 0.00000 0.00004 0.00001 84 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 86 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 90 5PZ 0.00000 0.00000 0.00000 -0.00002 0.00000 91 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 92 2S 0.00000 0.00000 0.00000 -0.00002 -0.00001 93 3S 0.00000 0.00000 0.00000 -0.00001 0.00000 94 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 95 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 96 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 98 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 99 5PZ 0.00000 0.00000 0.00000 0.00001 0.00000 100 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00003 101 2S 0.00000 0.00000 0.00000 0.00000 0.00005 102 3S 0.00000 0.00000 0.00000 0.00000 -0.00001 103 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 104 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 105 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 107 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 81 82 83 84 85 81 5PZ 0.00093 82 6 H 1S 0.00002 0.35838 83 2S 0.00001 0.07963 0.04118 84 3S -0.00003 -0.00050 -0.00013 0.00113 85 4PX 0.00000 0.00000 0.00000 0.00000 0.00004 86 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 5PX -0.00001 0.00000 0.00000 0.00000 0.00001 89 5PY -0.00001 0.00000 0.00000 0.00000 0.00000 90 5PZ -0.00005 0.00000 0.00000 0.00000 0.00000 91 7 H 1S -0.00001 -0.00025 0.00034 0.00169 0.00001 92 2S -0.00004 0.00034 0.00245 0.00142 0.00003 93 3S -0.00004 0.00169 0.00142 0.00043 0.00000 94 4PX 0.00000 0.00000 0.00003 0.00001 0.00000 95 4PY 0.00000 0.00002 0.00009 0.00001 0.00000 96 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PX 0.00001 0.00032 0.00020 0.00001 0.00000 98 5PY 0.00000 0.00064 0.00044 -0.00002 0.00000 99 5PZ 0.00002 0.00000 0.00000 0.00000 0.00000 100 8 H 1S 0.00002 -0.00025 0.00034 0.00169 0.00001 101 2S 0.00001 0.00034 0.00245 0.00142 0.00003 102 3S -0.00003 0.00169 0.00142 0.00043 0.00000 103 4PX 0.00000 0.00000 0.00003 0.00001 0.00000 104 4PY 0.00000 0.00002 0.00009 0.00001 0.00000 105 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 5PX 0.00000 0.00032 0.00020 0.00001 0.00000 107 5PY -0.00002 0.00064 0.00044 -0.00002 0.00000 108 5PZ -0.00005 0.00000 0.00000 0.00000 0.00000 86 87 88 89 90 86 4PY 0.00120 87 4PZ 0.00000 0.00027 88 5PX 0.00000 0.00000 0.00009 89 5PY -0.00010 0.00000 0.00000 0.00032 90 5PZ 0.00000 -0.00016 0.00000 0.00000 0.00093 91 7 H 1S 0.00001 0.00000 0.00016 0.00080 0.00000 92 2S 0.00010 0.00000 0.00012 0.00052 0.00000 93 3S 0.00003 0.00000 -0.00002 0.00001 0.00000 94 4PX 0.00000 0.00000 0.00000 0.00002 0.00000 95 4PY 0.00000 0.00000 0.00000 0.00001 0.00000 96 4PZ 0.00000 0.00000 0.00000 0.00000 0.00001 97 5PX 0.00002 0.00000 0.00000 -0.00003 0.00000 98 5PY 0.00002 0.00000 0.00002 -0.00001 0.00000 99 5PZ 0.00000 0.00001 0.00000 0.00000 -0.00008 100 8 H 1S 0.00001 0.00000 0.00016 0.00080 0.00000 101 2S 0.00010 0.00000 0.00012 0.00052 0.00000 102 3S 0.00003 0.00000 -0.00002 0.00001 0.00000 103 4PX 0.00000 0.00000 0.00000 0.00002 0.00000 104 4PY 0.00000 0.00000 0.00000 0.00001 0.00000 105 4PZ 0.00000 0.00000 0.00000 0.00000 0.00001 106 5PX 0.00002 0.00000 0.00000 -0.00003 0.00000 107 5PY 0.00002 0.00000 0.00002 -0.00001 0.00000 108 5PZ 0.00000 0.00001 0.00000 0.00000 -0.00008 91 92 93 94 95 91 7 H 1S 0.35838 92 2S 0.07963 0.04118 93 3S -0.00050 -0.00013 0.00113 94 4PX 0.00000 0.00000 0.00000 0.00091 95 4PY 0.00000 0.00000 0.00000 0.00000 0.00033 96 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PX 0.00000 0.00000 0.00000 -0.00008 0.00000 98 5PY 0.00000 0.00000 0.00000 0.00000 -0.00002 99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 100 8 H 1S -0.00025 0.00034 0.00169 0.00002 0.00000 101 2S 0.00034 0.00245 0.00142 0.00013 0.00000 102 3S 0.00169 0.00142 0.00043 0.00003 0.00000 103 4PX 0.00002 0.00013 0.00003 0.00000 0.00000 104 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 105 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 106 5PX 0.00096 0.00064 -0.00001 0.00003 0.00000 107 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 4PZ 0.00027 97 5PX 0.00000 0.00026 98 5PY 0.00000 0.00000 0.00015 99 5PZ -0.00016 0.00000 0.00000 0.00093 100 8 H 1S 0.00000 0.00096 0.00000 0.00000 0.35838 101 2S 0.00000 0.00064 0.00000 0.00000 0.07963 102 3S 0.00000 -0.00001 0.00000 0.00000 -0.00050 103 4PX 0.00000 0.00003 0.00000 0.00000 0.00000 104 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 105 4PZ 0.00000 0.00000 0.00000 0.00001 0.00000 106 5PX 0.00000 -0.00002 0.00000 0.00000 0.00000 107 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 108 5PZ 0.00001 0.00000 0.00000 -0.00008 0.00000 101 102 103 104 105 101 2S 0.04118 102 3S -0.00013 0.00113 103 4PX 0.00000 0.00000 0.00091 104 4PY 0.00000 0.00000 0.00000 0.00033 105 4PZ 0.00000 0.00000 0.00000 0.00000 0.00027 106 5PX 0.00000 0.00000 -0.00008 0.00000 0.00000 107 5PY 0.00000 0.00000 0.00000 -0.00002 0.00000 108 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00016 106 107 108 106 5PX 0.00026 107 5PY 0.00000 0.00015 108 5PZ 0.00000 0.00000 0.00093 Gross orbital populations: Total Alpha Beta Spin 1 1 Si 1S 2.00009 1.00004 1.00004 0.00000 2 2S 2.00436 1.00218 1.00218 0.00000 3 3S 0.73974 0.36987 0.36987 0.00000 4 4S 0.38600 0.19300 0.19300 0.00000 5 5S -0.08501 -0.04251 -0.04251 0.00000 6 6PX 1.99221 0.99611 0.99611 0.00000 7 6PY 1.99221 0.99611 0.99611 0.00000 8 6PZ 1.99210 0.99605 0.99605 0.00000 9 7PX 0.49482 0.24741 0.24741 0.00000 10 7PY 0.49482 0.24741 0.24741 0.00000 11 7PZ 0.51803 0.25902 0.25902 0.00000 12 8PX 0.45261 0.22631 0.22631 0.00000 13 8PY 0.45261 0.22631 0.22631 0.00000 14 8PZ 0.37586 0.18793 0.18793 0.00000 15 9PX 0.00613 0.00307 0.00307 0.00000 16 9PY 0.00613 0.00307 0.00307 0.00000 17 9PZ -0.00214 -0.00107 -0.00107 0.00000 18 10D 0 0.05676 0.02838 0.02838 0.00000 19 10D+1 0.02788 0.01394 0.01394 0.00000 20 10D-1 0.02788 0.01394 0.01394 0.00000 21 10D+2 0.05146 0.02573 0.02573 0.00000 22 10D-2 0.05146 0.02573 0.02573 0.00000 23 11D 0 0.01289 0.00644 0.00644 0.00000 24 11D+1 -0.02532 -0.01266 -0.01266 0.00000 25 11D-1 -0.02532 -0.01266 -0.01266 0.00000 26 11D+2 0.02924 0.01462 0.01462 0.00000 27 11D-2 0.02924 0.01462 0.01462 0.00000 28 2 Si 1S 2.00009 1.00004 1.00004 0.00000 29 2S 2.00436 1.00218 1.00218 0.00000 30 3S 0.73974 0.36987 0.36987 0.00000 31 4S 0.38600 0.19300 0.19300 0.00000 32 5S -0.08501 -0.04251 -0.04251 0.00000 33 6PX 1.99221 0.99611 0.99611 0.00000 34 6PY 1.99221 0.99611 0.99611 0.00000 35 6PZ 1.99210 0.99605 0.99605 0.00000 36 7PX 0.49482 0.24741 0.24741 0.00000 37 7PY 0.49482 0.24741 0.24741 0.00000 38 7PZ 0.51803 0.25902 0.25902 0.00000 39 8PX 0.45261 0.22631 0.22631 0.00000 40 8PY 0.45261 0.22631 0.22631 0.00000 41 8PZ 0.37586 0.18793 0.18793 0.00000 42 9PX 0.00613 0.00307 0.00307 0.00000 43 9PY 0.00613 0.00307 0.00307 0.00000 44 9PZ -0.00214 -0.00107 -0.00107 0.00000 45 10D 0 0.05676 0.02838 0.02838 0.00000 46 10D+1 0.02788 0.01394 0.01394 0.00000 47 10D-1 0.02788 0.01394 0.01394 0.00000 48 10D+2 0.05146 0.02573 0.02573 0.00000 49 10D-2 0.05146 0.02573 0.02573 0.00000 50 11D 0 0.01289 0.00644 0.00644 0.00000 51 11D+1 -0.02532 -0.01266 -0.01266 0.00000 52 11D-1 -0.02532 -0.01266 -0.01266 0.00000 53 11D+2 0.02924 0.01462 0.01462 0.00000 54 11D-2 0.02924 0.01462 0.01462 0.00000 55 3 H 1S 0.72856 0.36428 0.36428 0.00000 56 2S 0.22826 0.11413 0.11413 0.00000 57 3S 0.01075 0.00537 0.00537 0.00000 58 4PX 0.00071 0.00035 0.00035 0.00000 59 4PY 0.00949 0.00475 0.00475 0.00000 60 4PZ 0.00248 0.00124 0.00124 0.00000 61 5PX 0.00227 0.00113 0.00113 0.00000 62 5PY 0.00313 0.00156 0.00156 0.00000 63 5PZ -0.00457 -0.00229 -0.00229 0.00000 64 4 H 1S 0.72856 0.36428 0.36428 0.00000 65 2S 0.22826 0.11413 0.11413 0.00000 66 3S 0.01075 0.00537 0.00537 0.00000 67 4PX 0.00730 0.00365 0.00365 0.00000 68 4PY 0.00290 0.00145 0.00145 0.00000 69 4PZ 0.00248 0.00124 0.00124 0.00000 70 5PX 0.00291 0.00146 0.00146 0.00000 71 5PY 0.00248 0.00124 0.00124 0.00000 72 5PZ -0.00457 -0.00229 -0.00229 0.00000 73 5 H 1S 0.72856 0.36428 0.36428 0.00000 74 2S 0.22826 0.11413 0.11413 0.00000 75 3S 0.01075 0.00537 0.00537 0.00000 76 4PX 0.00730 0.00365 0.00365 0.00000 77 4PY 0.00290 0.00145 0.00145 0.00000 78 4PZ 0.00248 0.00124 0.00124 0.00000 79 5PX 0.00291 0.00146 0.00146 0.00000 80 5PY 0.00248 0.00124 0.00124 0.00000 81 5PZ -0.00457 -0.00229 -0.00229 0.00000 82 6 H 1S 0.72856 0.36428 0.36428 0.00000 83 2S 0.22826 0.11413 0.11413 0.00000 84 3S 0.01075 0.00537 0.00537 0.00000 85 4PX 0.00071 0.00035 0.00035 0.00000 86 4PY 0.00949 0.00475 0.00475 0.00000 87 4PZ 0.00248 0.00124 0.00124 0.00000 88 5PX 0.00227 0.00113 0.00113 0.00000 89 5PY 0.00313 0.00156 0.00156 0.00000 90 5PZ -0.00457 -0.00229 -0.00229 0.00000 91 7 H 1S 0.72856 0.36428 0.36428 0.00000 92 2S 0.22826 0.11413 0.11413 0.00000 93 3S 0.01075 0.00537 0.00537 0.00000 94 4PX 0.00730 0.00365 0.00365 0.00000 95 4PY 0.00290 0.00145 0.00145 0.00000 96 4PZ 0.00248 0.00124 0.00124 0.00000 97 5PX 0.00291 0.00146 0.00146 0.00000 98 5PY 0.00248 0.00124 0.00124 0.00000 99 5PZ -0.00457 -0.00229 -0.00229 0.00000 100 8 H 1S 0.72856 0.36428 0.36428 0.00000 101 2S 0.22826 0.11413 0.11413 0.00000 102 3S 0.01075 0.00537 0.00537 0.00000 103 4PX 0.00730 0.00365 0.00365 0.00000 104 4PY 0.00290 0.00145 0.00145 0.00000 105 4PZ 0.00248 0.00124 0.00124 0.00000 106 5PX 0.00291 0.00146 0.00146 0.00000 107 5PY 0.00248 0.00124 0.00124 0.00000 108 5PZ -0.00457 -0.00229 -0.00229 0.00000 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Si 12.530165 0.333993 0.409845 0.409845 0.409845 -0.012304 2 Si 0.333993 12.530165 -0.012304 -0.012304 -0.012304 0.409845 3 H 0.409845 -0.012304 0.561050 0.013037 0.013037 -0.000232 4 H 0.409845 -0.012304 0.013037 0.561050 0.013037 -0.001680 5 H 0.409845 -0.012304 0.013037 0.013037 0.561050 -0.001680 6 H -0.012304 0.409845 -0.000232 -0.001680 -0.001680 0.561050 7 H -0.012304 0.409845 -0.001680 -0.001680 -0.000232 0.013037 8 H -0.012304 0.409845 -0.001680 -0.000232 -0.001680 0.013037 7 8 1 Si -0.012304 -0.012304 2 Si 0.409845 0.409845 3 H -0.001680 -0.001680 4 H -0.001680 -0.000232 5 H -0.000232 -0.001680 6 H 0.013037 0.013037 7 H 0.561050 0.013037 8 H 0.013037 0.561050 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Si 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 2 Si 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 8 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 8 1 Si 0.000000 0.000000 2 Si 0.000000 0.000000 3 H 0.000000 0.000000 4 H 0.000000 0.000000 5 H 0.000000 0.000000 6 H 0.000000 0.000000 7 H 0.000000 0.000000 8 H 0.000000 0.000000 Mulliken charges and spin densities: 1 2 1 Si -0.056782 0.000000 2 Si -0.056782 0.000000 3 H 0.018927 0.000000 4 H 0.018927 0.000000 5 H 0.018927 0.000000 6 H 0.018927 0.000000 7 H 0.018927 0.000000 8 H 0.018927 0.000000 Sum of Mulliken charges = 0.00000 0.00000 Mulliken charges and spin densities with hydrogens summed into heavy atoms: 1 2 1 Si 0.000000 0.000000 2 Si 0.000000 0.000000 Electronic spatial extent (au): = 313.8546 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= 0.0000 Z= 0.0000 Tot= 0.0000 Quadrupole moment (field-independent basis, Debye-Ang): XX= -32.0020 YY= -32.0020 ZZ= -32.9737 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.3239 YY= 0.3239 ZZ= -0.6478 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0000 YYY= 0.0000 ZZZ= 0.0000 XYY= 0.0000 XXY= 0.0000 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.0000 YYZ= 0.0000 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -85.6299 YYYY= -85.6299 ZZZZ= -361.9535 XXXY= 0.0000 XXXZ= 0.0000 YYYX= 0.0000 YYYZ= -2.4923 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -28.5433 XXZZ= -79.9898 YYZZ= -79.9898 XXYZ= 2.4923 YYXZ= 0.0000 ZZXY= 0.0000 N-N= 9.044373104296D+01 E-N=-1.566785639550D+03 KE= 5.812779407349D+02 Symmetry AG KE= 2.657532651178D+02 Symmetry BG KE= 2.605223395363D+01 Symmetry AU KE= 2.599086499616D+01 Symmetry BU KE= 2.634815766674D+02 Orbital energies and kinetic energies (alpha): 1 2 1 (A1G)--O -68.781813 92.240482 2 (A2U)--O -68.781813 92.240755 3 (A1G)--O -6.131116 13.238228 4 (A2U)--O -6.131009 13.239327 5 (A1G)--O -4.237129 12.186003 6 (EU)--O -4.236955 12.192005 7 (EU)--O -4.236955 12.192005 8 (EG)--O -4.236875 12.192757 9 (EG)--O -4.236875 12.192757 10 (A2U)--O -4.236481 12.199699 11 (A1G)--O -0.758956 1.099685 12 (A2U)--O -0.680921 1.065575 13 (EU)--O -0.498515 0.803428 14 (EU)--O -0.498515 0.803428 15 (EG)--O -0.471247 0.833360 16 (EG)--O -0.471247 0.833360 17 (A1G)--O -0.404180 1.086117 18 (A1G)--V 0.039214 0.106770 19 (A2U)--V 0.041483 0.101919 20 (EU)--V 0.064640 0.099417 21 (EU)--V 0.064640 0.099417 22 (EG)--V 0.071642 0.089269 23 (EG)--V 0.071642 0.089269 24 (A1G)--V 0.074543 0.110325 25 (EG)--V 0.088999 0.131741 26 (EG)--V 0.088999 0.131741 27 (EU)--V 0.102259 0.221840 28 (EU)--V 0.102259 0.221840 29 (A2U)--V 0.102941 0.142438 30 (A2U)--V 0.140100 0.558588 31 (EU)--V 0.159060 0.471127 32 (EU)--V 0.159060 0.471127 33 (A1G)--V 0.165391 0.460566 34 (EG)--V 0.195444 0.407580 35 (EG)--V 0.195444 0.407580 36 (A2U)--V 0.216773 0.601047 37 (EU)--V 0.238245 0.360599 38 (EU)--V 0.238245 0.360599 39 (A1G)--V 0.246719 0.411557 40 (A2U)--V 0.289429 1.114321 41 (EG)--V 0.320649 0.557958 42 (EG)--V 0.320649 0.557958 43 (A1G)--V 0.345356 0.789891 44 (A2U)--V 0.357395 0.709561 45 (EU)--V 0.370083 0.718626 46 (EU)--V 0.370083 0.718626 47 (EG)--V 0.399534 0.611823 48 (EG)--V 0.399534 0.611823 49 (EG)--V 0.410085 0.549680 50 (EG)--V 0.410085 0.549680 51 (A1U)--V 0.422040 0.485624 52 (EU)--V 0.436241 0.636529 53 (EU)--V 0.436241 0.636529 54 (A1G)--V 0.467307 0.637479 55 (A2G)--V 0.467389 0.533007 56 (EG)--V 0.537463 0.801246 57 (EG)--V 0.537463 0.801246 58 (A2U)--V 0.543933 0.674928 59 (EU)--V 0.546809 0.732433 60 (EU)--V 0.546809 0.732433 61 (EG)--V 0.584741 0.682702 62 (EG)--V 0.584741 0.682702 63 (A2U)--V 0.591319 1.222197 64 (EU)--V 0.606442 0.689554 65 (EU)--V 0.606442 0.689554 66 (EU)--V 0.690755 1.079091 67 (EU)--V 0.690755 1.079091 68 (A1G)--V 0.694091 1.229169 69 (A1G)--V 0.702009 1.082810 70 (A2U)--V 0.717417 1.814279 71 (EG)--V 0.764037 1.677152 72 (EG)--V 0.764037 1.677152 73 (A1G)--V 0.790643 1.762033 74 (A1G)--V 0.809953 1.850877 75 (EU)--V 0.813041 1.432621 76 (EU)--V 0.813041 1.432621 77 (EG)--V 0.909348 1.259331 78 (EG)--V 0.909348 1.259331 79 (A2U)--V 0.964705 1.975837 80 (EG)--V 1.001487 1.946350 81 (EG)--V 1.001487 1.946350 82 (EU)--V 1.007514 2.013530 83 (EU)--V 1.007514 2.013530 84 (A2U)--V 1.192683 2.196532 85 (A2U)--V 1.278849 1.767510 86 (EG)--V 1.384945 2.160447 87 (EG)--V 1.384945 2.160447 88 (A1G)--V 1.398823 2.158805 89 (EU)--V 1.443935 2.222979 90 (EU)--V 1.443935 2.222979 91 (A1U)--V 1.772473 2.110798 92 (A2G)--V 1.806397 2.141490 93 (EG)--V 1.909750 2.261890 94 (EG)--V 1.909750 2.261890 95 (EU)--V 1.910543 2.245395 96 (EU)--V 1.910543 2.245395 97 (A2U)--V 2.008627 2.347271 98 (A1G)--V 2.022425 2.468703 99 (EG)--V 2.125976 2.519202 100 (EG)--V 2.125976 2.519202 101 (EU)--V 2.131025 2.476729 102 (EU)--V 2.131025 2.476729 103 (A1G)--V 2.177232 2.980830 104 (A2U)--V 2.228550 3.075477 105 (EG)--V 2.289776 3.111568 106 (EG)--V 2.289776 3.111568 107 (EU)--V 2.377136 3.337669 108 (EU)--V 2.377136 3.337669 Total kinetic energy from orbitals= 5.812779407349D+02 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 Si(29) 0.00000 0.00000 0.00000 0.00000 2 Si(29) 0.00000 0.00000 0.00000 0.00000 3 H(1) 0.00000 0.00000 0.00000 0.00000 4 H(1) 0.00000 0.00000 0.00000 0.00000 5 H(1) 0.00000 0.00000 0.00000 0.00000 6 H(1) 0.00000 0.00000 0.00000 0.00000 7 H(1) 0.00000 0.00000 0.00000 0.00000 8 H(1) 0.00000 0.00000 0.00000 0.00000 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.000000 0.000000 0.000000 2 Atom 0.000000 0.000000 0.000000 3 Atom 0.000000 0.000000 0.000000 4 Atom 0.000000 0.000000 0.000000 5 Atom 0.000000 0.000000 0.000000 6 Atom 0.000000 0.000000 0.000000 7 Atom 0.000000 0.000000 0.000000 8 Atom 0.000000 0.000000 0.000000 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.000000 0.000000 0.000000 2 Atom 0.000000 0.000000 0.000000 3 Atom 0.000000 0.000000 0.000000 4 Atom 0.000000 0.000000 0.000000 5 Atom 0.000000 0.000000 0.000000 6 Atom 0.000000 0.000000 0.000000 7 Atom 0.000000 0.000000 0.000000 8 Atom 0.000000 0.000000 0.000000 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 1 Si(29) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 2 Si(29) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 3 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 4 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 5 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 6 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 7 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 8 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Thu Apr 4 19:43:03 2019, MaxMem= 13421772800 cpu: 6.0 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe) 1\1\GINC-COMPUTE-3-8\SP\ROCCSD(T)-FC\Aug-CC-pVDZ\H6Si2\LOOS\04-Apr-201 9\0\\#p ROCCSD(T) aug-cc-pVDZ pop=full gfprint\\G2\\0,1\Si\Si,1,2.3542 1744\H,1,1.48548901,2,110.49912192\H,1,1.48548901,2,110.49912192,3,120 .,0\H,1,1.48548901,2,110.49912192,3,-120.,0\H,2,1.48548901,1,110.49912 192,3,180.,0\H,2,1.48548901,1,110.49912192,6,120.,0\H,2,1.48548901,1,1 10.49912192,6,-120.,0\\Version=ES64L-G09RevD.01\State=1-A1G\HF=-581.34 07215\MP2=-581.5646769\MP3=-581.608595\PUHF=-581.3407215\PMP2-0=-581.5 646769\MP4SDQ=-581.616422\CCSD=-581.6176833\CCSD(T)=-581.6246791\RMSD= 3.822e-09\PG=D03D [C3(Si1.Si1),3SGD(H2)]\\@ THE SECRET OF SUCCESS IN LIFE IS TO EAT WHAT YOU LIKE, AND LET THE FOOD FIGHT IT OUT INSIDE YOU. -- FROM A FORTUNE COOKIE Job cpu time: 0 days 2 hours 58 minutes 34.7 seconds. File lengths (MBytes): RWF= 166 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Thu Apr 4 19:43:03 2019.